| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.1 | Very low | 50.5 | Low | 223 Ų | 223 | 148.9 Ų | 148.9 | 100% | 1.099 | 73% | 0.729 | S | S | * | * | 0 | -21.5 | 0 | -87.8 | 178.8 | 166.7 | 0 | 0 | 114.6 | |||||
| 2 | I | 44 | Very low | 51.5 | Low | 161 Ų | 161 | 151.4 Ų | 151.4 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | trans | -85.5 | -9.8 | 174.1 | -68.8 | 170.2 | 0 | 0 | 0 | 113.2 | ||||
| 3 | T | 47.2 | Very low | 52.2 | Low | 125 Ų | 125 | 147.5 Ų | 147.5 | 77% | 0.767 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -89.1 | -10.3 | -179.7 | 32.2 | 0 | 0 | 0 | 0 | 115.6 | ||
| 4 | K | 47.5 | Very low | 52.7 | Low | 180 Ų | 180 | 142.9 Ų | 142.9 | 78% | 0.783 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -92.1 | -10.5 | 177.7 | -82.7 | -171.8 | 175.3 | -176.7 | 0 | 115.1 | ||
| 5 | R | 48.9 | Very low | 52.8 | Low | 202 Ų | 202 | 136.9 Ų | 136.9 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -81.3 | -16.8 | -178.9 | -108.9 | -178.9 | 178.4 | -180 | -0.4 | 114.8 | ||
| 6 | K | 49.9 | Very low | 53.1 | Low | 179 Ų | 179 | 134.7 Ų | 134.7 | 78% | 0.778 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -81.7 | -22.4 | 177 | -74.8 | -171.7 | 174.6 | -175.5 | 0 | 113.5 | L10 | K6-L10 PolarHBondContact O-N 3.19Å |
| 7 | L | 50 | Low | 52.6 | Low | 136 Ų | 136 | 135.4 Ų | 135.4 | 71% | 0.712 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -79.8 | -34.3 | -179.3 | -121.8 | 83.6 | 0 | 0 | 0 | 113.3 | L10 A11 | L7-L10 PolarHBondContact O-N 2.68Å; L7-A11 PolarHBondContact O-N 2.98Å |
| 8 | T | 56.1 | Low | 52.3 | Low | 85 Ų | 85 | 131.4 Ų | 131.4 | 52% | 0.521 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -73.1 | -35 | 179.4 | 38.3 | 0 | 0 | 0 | 0 | 113.1 | A11 Y12 | T8-A11 PolarHBondContact O-N 3.24Å; T8-Y12 PolarHBondContact O-N 3.27Å |
| 9 | Y | 53.9 | Low | 52.2 | Low | 170 Ų | 170 | 135.2 Ų | 135.2 | 67% | 0.667 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.7 | -35.2 | 173.1 | -93 | -82.5 | 0 | 0 | 0 | 112.3 | Y12 L13 | Y9-Y12 PolarHBondContact O-N 2.89Å; Y9-L13 WeakPolarHBondContact O-CB 3Å; Y9-L13 PolarHBondContact O-N 3Å |
| 10 | L | 58.2 | Low | 51.9 | Low | 117 Ų | 117 | 135 Ų | 135 | 61% | 0.613 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.6 | -40.1 | 174.2 | -152.2 | 81.4 | 0 | 0 | 0 | 111.1 | K6 L7 L13 V14 | K6-L10 PolarHBondContact O-N 3.19Å; L7-L10 PolarHBondContact O-N 2.68Å; L10-L13 PolarHBondContact O-N 2.74Å; L10-V14 VanDerWaalsContact O-CB 3.31Å; L10-V14 WeakPolarHBondContact O-CB 3Å; L10-V14 WeakPolarHBondContact O-CG2 3.33Å; L10-V14 PolarHBondContact O-N 2.89Å |
| 11 | A | 62.1 | Low | 51.6 | Low | 60 Ų | 60 | 131.7 Ų | 131.7 | 50% | 0.496 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -66.4 | -37.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | L7 T8 S15 | L7-A11 PolarHBondContact O-N 2.98Å; T8-A11 PolarHBondContact O-N 3.24Å; A11-S15 WeakPolarHBondContact O-CB 3.25Å; A11-S15 PolarHBondContact O-N 2.92Å; A11-S15 PolarHBondContact O-OG 2.87Å |
| 12 | Y | 62 | Low | 51.6 | Low | 179 Ų | 179 | 127.1 Ų | 127.1 | 70% | 0.702 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -73.1 | -37.7 | 175.5 | -115.5 | -86.8 | 0 | 0 | 0 | 112.7 | T8 Y9 S15 L16 | T8-Y12 PolarHBondContact O-N 3.27Å; Y9-Y12 PolarHBondContact O-N 2.89Å; Y12-S15 WeakPolarHBondContact CA-OG 3.33Å; Y12-S15 PolarHBondContact O-OG 2.82Å; Y12-S15 VanDerWaalsContact O-OG 3.1Å; Y12-L16 VanDerWaalsContact O-CB 3.23Å; Y12-L16 WeakPolarHBondContact O-CB 3.41Å; Y12-L16 PolarHBondContact O-N 2.83Å |
| 13 | L | 60.4 | Low | 51.5 | Low | 101 Ų | 101 | 121.9 Ų | 121.9 | 53% | 0.529 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.2 | -40.2 | 173.1 | -88.2 | 156.9 | 0 | 0 | 0 | 110.8 | Y9 L10 F17 | Y9-L13 WeakPolarHBondContact O-CB 3Å; Y9-L13 PolarHBondContact O-N 3Å; L10-L13 PolarHBondContact O-N 2.74Å; L13-F17 VanDerWaalsContact O-CB 3.23Å; L13-F17 WeakPolarHBondContact O-CB 3.1Å; L13-F17 PolarHBondContact O-N 3.44Å |
| 14 | V | 60.1 | Low | 51.4 | Low | 83 Ų | 83 | 124.7 Ų | 124.7 | 50% | 0.503 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.6 | -37.2 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | L10 F17 V18 | L10-V14 VanDerWaalsContact O-CB 3.31Å; L10-V14 WeakPolarHBondContact O-CB 3Å; L10-V14 WeakPolarHBondContact O-CG2 3.33Å; L10-V14 PolarHBondContact O-N 2.89Å; V14-F17 PolarHBondContact O-N 3.33Å; V14-V18 HydrophobicContact CG1-CG2 4.07Å; V14-V18 WeakPolarHBondContact O-CB 3.48Å; V14-V18 WeakPolarHBondContact O-CG2 3.08Å; V14-V18 PolarHBondContact O-N 3.22Å |
| 15 | S | 54.4 | Low | 51.6 | Low | 52 Ų | 52 | 121.8 Ų | 121.8 | 36% | 0.364 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -71 | -37 | 175.8 | 68.4 | 0 | 0 | 0 | 0 | 112.4 | A11 Y12 V18 Y19 | A11-S15 WeakPolarHBondContact O-CB 3.25Å; A11-S15 PolarHBondContact O-N 2.92Å; A11-S15 PolarHBondContact O-OG 2.87Å; Y12-S15 WeakPolarHBondContact CA-OG 3.33Å; Y12-S15 PolarHBondContact O-OG 2.82Å; Y12-S15 VanDerWaalsContact O-OG 3.1Å; S15-V18 PolarHBondContact O-N 3.07Å; S15-Y19 WeakPolarHBondContact O-CB 3.16Å; S15-Y19 PolarHBondContact O-N 3.44Å |
| 16 | L | 57.1 | Low | 52.7 | Low | 102 Ų | 102 | 115 Ų | 115 | 53% | 0.534 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.1 | -39.8 | 172.8 | -158.1 | 85.2 | 0 | 0 | 0 | 110.9 | Y12 Y19 L20 | Y12-L16 VanDerWaalsContact O-CB 3.23Å; Y12-L16 WeakPolarHBondContact O-CB 3.41Å; Y12-L16 PolarHBondContact O-N 2.83Å; L16-Y19 PolarHBondContact O-N 3.48Å; L16-L20 HydrophobicContact CD2-CD1 4.11Å; L16-L20 HydrophobicContact CG-CD1 3.92Å; L16-L20 WeakPolarHBondContact O-CB 2.99Å; L16-L20 WeakPolarHBondContact O-CD1 3.5Å; L16-L20 WeakPolarHBondContact O-CG 3.39Å; L16-L20 PolarHBondContact O-N 3.09Å |
| 17 | F | 44.3 | Very low | 54.3 | Low | 147 Ų | 147 | 109.4 Ų | 109.4 | 65% | 0.645 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.9 | -40.2 | 173.2 | -123.1 | -95.4 | 0 | 0 | 0 | 110.8 | L13 V14 L20 S21 | L13-F17 VanDerWaalsContact O-CB 3.23Å; L13-F17 WeakPolarHBondContact O-CB 3.1Å; L13-F17 PolarHBondContact O-N 3.44Å; V14-F17 PolarHBondContact O-N 3.33Å; F17-L20 CarbonylContact O-C 3.56Å; F17-L20 PolarHBondContact O-N 2.82Å; F17-S21 WeakPolarHBondContact O-CA 3.24Å; F17-S21 WeakPolarHBondContact O-CB 3.36Å; F17-S21 PolarHBondContact O-N 2.97Å; F17-S21 PolarHBondContact O-OG 3Å |
| 18 | V | 47.9 | Very low | 56.1 | Low | 64 Ų | 64 | 104.7 Ų | 104.7 | 39% | 0.388 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -70.5 | -36.3 | 177 | 170.4 | 0 | 0 | 0 | 0 | 111.3 | V14 S15 L20 N22 | V14-V18 HydrophobicContact CG1-CG2 4.07Å; V14-V18 WeakPolarHBondContact O-CB 3.48Å; V14-V18 WeakPolarHBondContact O-CG2 3.08Å; V14-V18 PolarHBondContact O-N 3.22Å; S15-V18 PolarHBondContact O-N 3.07Å; V18-L20 VanDerWaalsContact C-N 3.33Å; V18-N22 WeakPolarHBondContact O-CB 2.87Å; V18-N22 PolarHBondContact O-N 3.24Å |
| 19 | Y | 50.1 | Low | 57.7 | Low | 203 Ų | 203 | 101 Ų | 101 | 80% | 0.796 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.7 | -31.2 | 170.9 | -104.2 | -87 | 0 | 0 | 0 | 112.6 | S15 L16 | S15-Y19 WeakPolarHBondContact O-CB 3.16Å; S15-Y19 PolarHBondContact O-N 3.44Å; L16-Y19 PolarHBondContact O-N 3.48Å |
| 20 | L | 45.6 | Very low | 59.3 | Low | 131 Ų | 131 | 93 Ų | 93 | 69% | 0.686 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -87.6 | -22.8 | 176.7 | -69.4 | 167.1 | 0 | 0 | 0 | 113.3 | L16 F17 V18 | L16-L20 HydrophobicContact CD2-CD1 4.11Å; L16-L20 HydrophobicContact CG-CD1 3.92Å; L16-L20 WeakPolarHBondContact O-CB 2.99Å; L16-L20 WeakPolarHBondContact O-CD1 3.5Å; L16-L20 WeakPolarHBondContact O-CG 3.39Å; L16-L20 PolarHBondContact O-N 3.09Å; F17-L20 CarbonylContact O-C 3.56Å; F17-L20 PolarHBondContact O-N 2.82Å; V18-L20 VanDerWaalsContact C-N 3.33Å |
| 21 | S | 45.3 | Very low | 60.7 | Low | 65 Ų | 65 | 89.3 Ų | 89.3 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -103.2 | -24.6 | -175.1 | 74.8 | 0 | 0 | 0 | 0 | 113.7 | F17 | F17-S21 WeakPolarHBondContact O-CA 3.24Å; F17-S21 WeakPolarHBondContact O-CB 3.36Å; F17-S21 PolarHBondContact O-N 2.97Å; F17-S21 PolarHBondContact O-OG 3Å |
| 22 | N | 37.7 | Very low | 61.9 | Low | 128 Ų | 128 | 92.1 Ų | 92.1 | 68% | 0.684 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -99.6 | 7.1 | 171.5 | -76.3 | -17.8 | 0 | 0 | 0 | 113.8 | V18 Q24 | V18-N22 WeakPolarHBondContact O-CB 2.87Å; V18-N22 PolarHBondContact O-N 3.24Å; N22-Q24 PolarHBondContact O-N 3.26Å; N22-Q24 VanDerWaalsContact O-N 3.13Å |
| 23 | G | 42.2 | Very low | 63.3 | Low | 51 Ų | 51 | 84.2 Ų | 84.2 | 53% | 0.526 | 45% | 0.447 | S | S | . | . | trans | -79.9 | 56.4 | 156.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | K25 | G23-K25 PolarHBondContact O-N 2.82Š| ||
| 24 | Q | 45.7 | Very low | 64.7 | Low | 183 Ų | 183 | 82.4 Ų | 82.4 | 86% | 0.855 | 44% | 0.44 | S | S | * | . | trans | -57.9 | 94.4 | 156.1 | -107.7 | -176 | -14.8 | 0 | 0 | 105.1 | N22 S26 | N22-Q24 PolarHBondContact O-N 3.26Å; N22-Q24 VanDerWaalsContact O-N 3.13Å; Q24-S26 PolarHBondContact O-N 3.27Å | ||
| 25 | K | 52.6 | Low | 66.2 | Low | 120 Ų | 120 | 79.8 Ų | 79.8 | 52% | 0.522 | 42% | 0.424 | S | S | . | . | trans | -52.7 | 108.4 | 172.5 | -93.7 | -176.4 | 176.9 | 180 | 0 | 105.5 | G23 C27 N31 | G23-K25 PolarHBondContact O-N 2.82Å; K25-C27 VanDerWaalsContact C-N 3.33Å; K25-C27 PolarHBondContact O-N 2.79Å; K25-C27 PolarHBondContact O-SG 2.9Å; K25-C27 VanDerWaalsContact O-SG 3.41Å; K25-N31 PolarHBondContact NZ-OD1 2.98Å | ||
| 26 | S | 72.1 | Confident | 67.9 | Low | 58 Ų | 58 | 81 Ų | 81 | 41% | 0.406 | 43% | 0.429 | S | S | . | . | trans | -68.3 | 98.9 | 177.8 | 70.4 | 0 | 0 | 0 | 0 | 107.1 | Q24 R119 | Q24-S26 PolarHBondContact O-N 3.27Å; S26-R119 WeakPolarHBondContact OG-CD 3.3Å; S26-R119 PolarHBondContact OG-NE 2.95Å; S26-R119 PolarHBondContact OG-NH1 2.81Å | ||
| 27 | C | 82.7 | Confident | 69.6 | Low | 63 Ų | 63 | 79 Ų | 79 | 43% | 0.426 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -75.3 | 147 | 173 | -52.2 | 0 | 0 | 0 | 0 | 109 | K25 C51 | K25-C27 VanDerWaalsContact C-N 3.33Å; K25-C27 PolarHBondContact O-N 2.79Å; K25-C27 PolarHBondContact O-SG 2.9Å; K25-C27 VanDerWaalsContact O-SG 3.41Å; C27-C51 HydrophobicContact CB-CB 4.07Å; C27-C51 WeakPolarHBondContact CB-SG 3.08Å; C27-C51 WeakPolarHBondContact SG-CB 3.47Å; C27-C51 CovalentContact SG-SG 2.05Å; C27-C51 PolarHBondContact SG-SG 3.29Å |
| 28 | P | 88.1 | Confident | 72 | Confident | 36 Ų | 36 | 72 Ų | 72 | 23% | 0.234 | 39% | 0.387 | C | S | . | . | S | Bend | cis | -75.7 | 140.4 | 5.7 | 30 | -34.6 | 0 | 0 | 0 | 113.8 | C51 V110 I115 | P28-C51 VanDerWaalsContact CA-O 3.24Å; P28-C51 WeakPolarHBondContact CA-O 3.33Å; P28-V110 HydrophobicContact CB-CB 4.47Å; P28-V110 HydrophobicContact CB-CG2 3.88Å; P28-V110 HydrophobicContact CG-CB 4.38Å; P28-V110 HydrophobicContact CG-CG2 4.25Å; P28-I115 HydrophobicContact CB-CD1 3.93Å; P28-I115 HydrophobicContact CB-CG1 4.09Å; P28-I115 HydrophobicContact CG-CG1 4.15Å |
| 29 | A | 88.6 | Confident | 74.1 | Confident | 9 Ų | 9 | 68.9 Ų | 68.9 | 7% | 0.074 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 150 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G50 C51 R119 | A29-G50 CarbonylContact O-C 3.54Å; A29-G50 WeakPolarHBondContact O-CA 3.31Å; A29-C51 PolarHBondContact N-O 2.98Å; A29-C51 PolarHBondContact O-N 3.27Å; A29-R119 HydrophobicContact CB-CB 4.05Å |
| 30 | V | 89.3 | Confident | 76.2 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.8 | 175.3 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | I33 I48 F53 I108 I115 R119 M120 C121 | V30-I33 HydrophobicContact CG1-CG2 4.35Å; V30-I48 HydrophobicContact CB-CG2 4.5Å; V30-I48 HydrophobicContact CG1-CG2 3.73Å; V30-I48 HydrophobicContact CG2-CG2 4.01Å; V30-F53 HydrophobicContact CG2-CE1 4.31Å; V30-F53 HydrophobicContact CG2-CZ 4.18Å; V30-I108 HydrophobicContact CG2-CD1 3.46Å; V30-I108 VanDerWaalsContact CG2-CD1 3.46Å; V30-I108 HydrophobicContact CG2-CG1 4.39Å; V30-I115 HydrophobicContact CG2-CD1 4.04Å; V30-R119 PolarHBondContact N-O 2.93Å; V30-M120 HydrophobicContact CB-SD 4.02Å; V30-M120 HydrophobicContact CG2-CE 4.2Å; V30-M120 HydrophobicContact CG2-SD 3.56Å; V30-M120 VanDerWaalsContact CG2-SD 3.56Å; V30-C121 WeakPolarHBondContact O-CA 3.26Å; V30-C121 PolarHBondContact O-N 2.81Å |
| 31 | N | 86.1 | Confident | 78.4 | Confident | 39 Ų | 39 | 55.5 Ų | 55.5 | 21% | 0.209 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | -49.9 | 177.8 | -63.4 | -38.4 | 0 | 0 | 0 | 111.3 | K25 F49 C121 | K25-N31 PolarHBondContact NZ-OD1 2.98Å; N31-F49 WeakPolarHBondContact CB-O 3.21Å; N31-F49 PolarHBondContact N-O 2.81Å; N31-C121 WeakPolarHBondContact O-CA 3.12Å |
| 32 | Y | 87.6 | Confident | 80.6 | Confident | 119 Ų | 119 | 52.5 Ų | 52.5 | 47% | 0.467 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 165.5 | 177.8 | 64.3 | -86.7 | 0 | 0 | 0 | 110.6 | T34 F49 | Y32-T34 HydrophobicContact CD2-CG2 4.39Å; Y32-T34 HydrophobicContact CE2-CG2 3.97Å; Y32-F49 HydrophobicContact CD1-CB 4.21Å; Y32-F49 HydrophobicContact CD2-CD2 4.12Å; Y32-F49 HydrophobicContact CE1-CB 3.77Å; Y32-F49 HydrophobicContact CE1-CD2 4.41Å; Y32-F49 HydrophobicContact CE1-CG 4.23Å; Y32-F49 HydrophobicContact CE2-CB 4.15Å; Y32-F49 AromaticContact CE2-CD2 3.35Å; Y32-F49 HydrophobicContact CE2-CD2 3.35Å; Y32-F49 HydrophobicContact CE2-CE2 4.02Å; Y32-F49 AromaticContact CE2-CG 3.99Å; Y32-F49 HydrophobicContact CE2-CG 3.99Å; Y32-F49 AromaticContact CZ-CD2 3.53Å; Y32-F49 AromaticContact CZ-CG 3.69Å; Y32-F49 PolarHBondContact N-O 3.17Å; Y32-F49 PolarHBondContact O-N 2.9Å |
| 33 | I | 90.8 | Very high | 83.1 | Confident | 13 Ų | 13 | 47 Ų | 47 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 148.3 | 171.6 | 67.1 | 175.1 | 0 | 0 | 0 | 109 | V30 T36 M47 I48 I106 C126 | V30-I33 HydrophobicContact CG1-CG2 4.35Å; I33-T36 HydrophobicContact CD1-CG2 4.47Å; I33-T36 HydrophobicContact CG1-CG2 4.08Å; I33-M47 CarbonylContact C-O 3.59Å; I33-M47 VanDerWaalsContact CA-O 3.31Å; I33-M47 WeakPolarHBondContact CA-O 2.96Å; I33-I48 HydrophobicContact CG2-CB 4.49Å; I33-I48 HydrophobicContact CG2-CG1 3.93Å; I33-I48 HydrophobicContact CG2-CG2 4.46Å; I33-I106 HydrophobicContact CD1-CD1 3.63Å; I33-I106 HydrophobicContact CD1-CG1 4.41Å; I33-I106 HydrophobicContact CG2-CD1 4.3Å; I33-C126 HydrophobicContact CD1-CB 4.35Å; I33-C126 HydrophobicContact CG2-CB 4.34Å |
| 34 | T | 90.5 | Very high | 85.4 | Confident | 62 Ų | 62 | 44.5 Ų | 44.5 | 38% | 0.38 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 136.2 | 175.5 | -177.6 | 0 | 0 | 0 | 0 | 111.5 | Y32 M47 F49 | Y32-T34 HydrophobicContact CD2-CG2 4.39Å; Y32-T34 HydrophobicContact CE2-CG2 3.97Å; T34-M47 HydrophobicContact CG2-CB 4.03Å; T34-M47 PolarHBondContact N-O 3.34Å; T34-M47 PolarHBondContact O-N 3.22Å; T34-F49 HydrophobicContact CG2-CD2 4.04Å; T34-F49 HydrophobicContact CG2-CE2 3.61Å |
| 35 | P | 92.1 | Very high | 87.6 | Confident | 28 Ų | 28 | 37 Ų | 37 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | cis | -69.3 | 171.7 | -12.8 | 30.2 | -33.9 | 0 | 0 | 0 | 112.4 | I46 A233 P234 | P35-I46 HydrophobicContact CG-CD1 3.89Å; P35-A233 HydrophobicContact CG-CB 3.74Å; P35-P234 HydrophobicContact CB-CB 4.07Å; P35-P234 HydrophobicContact CG-CB 3.84Å | ||
| 36 | T | 90.3 | Very high | 89.6 | Confident | 77 Ų | 77 | 31.3 Ų | 31.3 | 47% | 0.472 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -95.5 | 5.9 | 174.6 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | I33 T129 | I33-T36 HydrophobicContact CD1-CG2 4.47Å; I33-T36 HydrophobicContact CG1-CG2 4.08Å; T36-T129 PolarHBondContact O-N 3.13Å |
| 37 | E | 92.4 | Very high | 90.6 | Very high | 60 Ų | 60 | 30.5 Ų | 30.5 | 28% | 0.28 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 147.8 | 177.7 | -58 | -172.9 | 162.2 | 0 | 0 | 110.4 | T129 K131 P234 | E37-T129 VanDerWaalsContact CA-O 3.24Å; E37-T129 WeakPolarHBondContact CA-O 3.31Å; E37-K131 IonicContact OE1-NZ 3.83Å; E37-K131 PolarHBondContact OE1-NZ 2.98Å; E37-P234 HydrophobicContact CB-CB 4.33Å; E37-P234 VanDerWaalsContact O-CB 3.32Å; E37-P234 WeakPolarHBondContact O-CB 3.27Å |
| 38 | A | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 162.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | I46 L128 T129 I130 K131 V134 | A38-I46 HydrophobicContact CB-CD1 4.26Å; A38-L128 HydrophobicContact CB-CD1 4.13Å; A38-L128 HydrophobicContact CB-CD2 4.13Å; A38-L128 HydrophobicContact CB-CG 4.29Å; A38-T129 PolarHBondContact N-O 3.05Å; A38-I130 HydrophobicContact CB-CD1 3.79Å; A38-I130 WeakPolarHBondContact O-CA 3.3Å; A38-K131 PolarHBondContact O-N 3.33Å; A38-V134 WeakPolarHBondContact O-CG2 3.22Å |
| 39 | S | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 148.7 | 178 | 154.3 | 0 | 0 | 0 | 0 | 113.4 | E41 G42 S44 T135 Y235 R237 | S39-E41 PolarHBondContact O-N 2.82Å; S39-E41 PolarHBondContact OG-N 2.81Å; S39-G42 PolarHBondContact O-N 2.87Å; S39-S44 PolarHBondContact N-OG 3.25Å; S39-T135 WeakPolarHBondContact CA-OG1 3.48Å; S39-T135 WeakPolarHBondContact OG-CG2 3.46Å; S39-T135 PolarHBondContact OG-OG1 2.78Å; S39-Y235 WeakPolarHBondContact CB-O 3.38Å; S39-R237 PolarHBondContact OG-O 3.36Å |
| 40 | T | 92.7 | Very high | 91.3 | Very high | 15 Ų | 15 | 28.5 Ų | 28.5 | 9% | 0.092 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -25.6 | 172.9 | 53.8 | 0 | 0 | 0 | 0 | 112.8 | G42 K98 L99 E101 I130 T135 | T40-G42 VanDerWaalsContact C-N 3.34Å; T40-K98 WeakPolarHBondContact O-CG 3.28Å; T40-L99 WeakPolarHBondContact CA-O 3.17Å; T40-L99 PolarHBondContact O-N 3.11Å; T40-L99 VanDerWaalsContact O-N 3.08Å; T40-L99 VanDerWaalsContact O-O 3.1Å; T40-E101 HydrophobicContact CG2-CB 4.48Å; T40-I130 HydrophobicContact CG2-CG2 3.69Å; T40-T135 PolarHBondContact N-OG1 3.34Å; T40-T135 WeakPolarHBondContact OG1-CG2 3.42Å; T40-T135 PolarHBondContact OG1-OG1 2.88Å |
| 41 | E | 92.4 | Very high | 91.3 | Very high | 38 Ų | 38 | 29.2 Ų | 29.2 | 18% | 0.178 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 6.2 | 178.1 | -65.9 | -63.4 | 139.3 | 0 | 0 | 113.3 | S39 K98 T135 R237 K239 | S39-E41 PolarHBondContact O-N 2.82Å; S39-E41 PolarHBondContact OG-N 2.81Å; E41-K98 WeakPolarHBondContact OE1-CE 3.46Å; E41-K98 IonicContact OE1-NZ 3.79Å; E41-K98 PolarHBondContact OE1-NZ 3.48Å; E41-K98 VanDerWaalsContact OE2-CE 3.32Å; E41-K98 WeakPolarHBondContact OE2-CE 3.45Å; E41-K98 IonicContact OE2-NZ 3.27Å; E41-K98 PolarHBondContact OE2-NZ 2.83Å; E41-T135 HydrophobicContact CG-CG2 4.16Å; E41-R237 HydrophobicContact CB-CB 4.27Å; E41-K239 HydrophobicContact CG-CB 3.49Å; E41-K239 VanDerWaalsContact CG-CB 3.49Å; E41-K239 HydrophobicContact CG-CD 4.41Å; E41-K239 HydrophobicContact CG-CG 3.94Å |
| 42 | G | 90.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | trans | 72.1 | -162.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S39 T40 S44 S96 P97 R237 | S39-G42 PolarHBondContact O-N 2.87Å; T40-G42 VanDerWaalsContact C-N 3.34Å; G42-S44 VanDerWaalsContact C-N 3.27Å; G42-S44 PolarHBondContact O-N 3.07Å; G42-S96 CarbonylContact C-O 3.56Å; G42-S96 WeakPolarHBondContact CA-O 3.4Å; G42-S96 WeakPolarHBondContact CA-OG 3.34Å; G42-P97 WeakPolarHBondContact CA-O 3.47Å; G42-R237 PolarHBondContact O-N 2.91Å | ||
| 43 | G | 90 | Very high | 91.4 | Very high | 12 Ų | 12 | 23.9 Ų | 23.9 | 12% | 0.124 | 15% | 0.146 | C | C | . | . | trans | 81.9 | -5.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | A45 S95 S96 G236 | G43-A45 PolarHBondContact O-N 3.25Å; G43-S95 VanDerWaalsContact CA-OG 3.27Å; G43-S95 WeakPolarHBondContact CA-OG 3.33Å; G43-S96 PolarHBondContact N-O 3.19Å; G43-S96 PolarHBondContact N-OG 3.18Å; G43-G236 VanDerWaalsContact C-CA 3.5Å | ||
| 44 | S | 92 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -73.7 | 120.9 | 175.6 | -52.2 | 0 | 0 | 0 | 0 | 109.1 | S39 G42 I46 S96 P234 | S39-S44 PolarHBondContact N-OG 3.25Å; G42-S44 VanDerWaalsContact C-N 3.27Å; G42-S44 PolarHBondContact O-N 3.07Å; S44-I46 PolarHBondContact O-N 3.12Å; S44-S96 VanDerWaalsContact CB-OG 3.32Å; S44-S96 WeakPolarHBondContact CB-OG 2.95Å; S44-S96 PolarHBondContact N-OG 3.4Å; S44-S96 PolarHBondContact O-N 2.91Å; S44-P234 PolarHBondContact OG-O 3.4Å | ||
| 45 | A | 91.4 | Very high | 90.3 | Very high | 26 Ų | 26 | 30.3 Ų | 30.3 | 22% | 0.215 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 111 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | G43 A233 | G43-A45 PolarHBondContact O-N 3.25Å; A45-A233 HydrophobicContact CB-CB 4.45Å; A45-A233 WeakPolarHBondContact O-CB 3.31Å |
| 46 | I | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.1 | 178.5 | -51.8 | -54.2 | 0 | 0 | 0 | 108.9 | P35 A38 S44 K93 F94 L128 | P35-I46 HydrophobicContact CG-CD1 3.89Å; A38-I46 HydrophobicContact CB-CD1 4.26Å; S44-I46 PolarHBondContact O-N 3.12Å; I46-K93 WeakPolarHBondContact O-CA 3.15Å; I46-F94 HydrophobicContact CB-CD1 4.05Å; I46-F94 HydrophobicContact CB-CD2 4.45Å; I46-F94 HydrophobicContact CB-CE1 3.53Å; I46-F94 HydrophobicContact CB-CE2 3.99Å; I46-F94 HydrophobicContact CB-CG 4.49Å; I46-F94 HydrophobicContact CB-CZ 3.51Å; I46-F94 HydrophobicContact CG1-CE1 4.37Å; I46-F94 HydrophobicContact CG1-CE2 4.01Å; I46-F94 HydrophobicContact CG1-CZ 3.84Å; I46-F94 HydrophobicContact CG2-CD1 4.4Å; I46-F94 HydrophobicContact CG2-CE1 3.53Å; I46-F94 HydrophobicContact CG2-CZ 3.66Å; I46-F94 PolarHBondContact N-O 2.78Å; I46-F94 PolarHBondContact O-N 3.03Å; I46-L128 HydrophobicContact CD1-CD1 3.79Å; I46-L128 HydrophobicContact CG1-CD1 4.17Å; I46-L128 HydrophobicContact CG1-CD2 4.28Å |
| 47 | M | 93 | Very high | 87.2 | Confident | 40 Ų | 40 | 31.6 Ų | 31.6 | 20% | 0.197 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128 | 177.9 | -54.4 | -63.9 | -75.5 | 0 | 0 | 109.4 | I33 T34 F49 M91 K93 | I33-M47 CarbonylContact C-O 3.59Å; I33-M47 VanDerWaalsContact CA-O 3.31Å; I33-M47 WeakPolarHBondContact CA-O 2.96Å; T34-M47 HydrophobicContact CG2-CB 4.03Å; T34-M47 PolarHBondContact N-O 3.34Å; T34-M47 PolarHBondContact O-N 3.22Å; M47-F49 HydrophobicContact CB-CD2 4.16Å; M47-F49 HydrophobicContact CB-CE2 3.51Å; M47-F49 HydrophobicContact CB-CZ 4.1Å; M47-F49 HydrophobicContact CE-CZ 4.37Å; M47-F49 HydrophobicContact CG-CE2 4.39Å; M47-M91 HydrophobicContact CE-CE 3.66Å; M47-M91 HydrophobicContact CE-CG 3.63Å; M47-M91 HydrophobicContact CE-SD 3.24Å; M47-M91 WeakPolarHBondContact CE-SD 3.29Å; M47-M91 HydrophobicContact SD-SD 4.33Å; M47-K93 HydrophobicContact CE-CB 4.21Å; M47-K93 HydrophobicContact CE-CD 4.34Å; M47-K93 HydrophobicContact CE-CG 4.48Å; M47-K93 HydrophobicContact SD-CB 3.52Å; M47-K93 VanDerWaalsContact SD-CB 3.52Å; M47-K93 HydrophobicContact SD-CD 3.53Å; M47-K93 VanDerWaalsContact SD-CD 3.53Å; M47-K93 HydrophobicContact SD-CG 3.33Å; M47-K93 WeakPolarHBondContact SD-CG 3.4Å |
| 48 | I | 92.7 | Very high | 85.3 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 116.3 | 173.4 | -62.4 | 161 | 0 | 0 | 0 | 106.7 | V30 I33 F53 V71 M91 I92 F94 I106 I108 | V30-I48 HydrophobicContact CB-CG2 4.5Å; V30-I48 HydrophobicContact CG1-CG2 3.73Å; V30-I48 HydrophobicContact CG2-CG2 4.01Å; I33-I48 HydrophobicContact CG2-CB 4.49Å; I33-I48 HydrophobicContact CG2-CG1 3.93Å; I33-I48 HydrophobicContact CG2-CG2 4.46Å; I48-F53 HydrophobicContact CG2-CE2 4.41Å; I48-F53 HydrophobicContact CG2-CZ 3.89Å; I48-V71 HydrophobicContact CD1-CG1 4.05Å; I48-V71 HydrophobicContact CD1-CG2 3.6Å; I48-M91 CarbonylContact O-C 3.04Å; I48-M91 VanDerWaalsContact O-CA 3.29Å; I48-M91 WeakPolarHBondContact O-CA 3.38Å; I48-I92 HydrophobicContact CB-CB 4.35Å; I48-I92 PolarHBondContact N-O 2.03Å; I48-I92 PolarHBondContact O-N 3.32Å; I48-F94 HydrophobicContact CD1-CD1 3.73Å; I48-F94 HydrophobicContact CD1-CE1 3.6Å; I48-F94 HydrophobicContact CG1-CD1 4.36Å; I48-F94 HydrophobicContact CG1-CE1 4.05Å; I48-I106 HydrophobicContact CD1-CG2 4.44Å; I48-I108 HydrophobicContact CB-CD1 4.49Å; I48-I108 HydrophobicContact CD1-CD1 3.75Å; I48-I108 HydrophobicContact CD1-CG1 4.5Å; I48-I108 HydrophobicContact CG1-CD1 4.46Å; I48-I108 HydrophobicContact CG2-CD1 3.55Å |
| 49 | F | 91.3 | Very high | 83.4 | Confident | 61 Ų | 61 | 42.1 Ų | 42.1 | 27% | 0.268 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 131.6 | 176.6 | -69.7 | -85 | 0 | 0 | 0 | 110.2 | N31 Y32 T34 M47 M91 | N31-F49 WeakPolarHBondContact CB-O 3.21Å; N31-F49 PolarHBondContact N-O 2.81Å; Y32-F49 HydrophobicContact CD1-CB 4.21Å; Y32-F49 HydrophobicContact CD2-CD2 4.12Å; Y32-F49 HydrophobicContact CE1-CB 3.77Å; Y32-F49 HydrophobicContact CE1-CD2 4.41Å; Y32-F49 HydrophobicContact CE1-CG 4.23Å; Y32-F49 HydrophobicContact CE2-CB 4.15Å; Y32-F49 AromaticContact CE2-CD2 3.35Å; Y32-F49 HydrophobicContact CE2-CD2 3.35Å; Y32-F49 HydrophobicContact CE2-CE2 4.02Å; Y32-F49 AromaticContact CE2-CG 3.99Å; Y32-F49 HydrophobicContact CE2-CG 3.99Å; Y32-F49 AromaticContact CZ-CD2 3.53Å; Y32-F49 AromaticContact CZ-CG 3.69Å; Y32-F49 PolarHBondContact N-O 3.17Å; Y32-F49 PolarHBondContact O-N 2.9Å; T34-F49 HydrophobicContact CG2-CD2 4.04Å; T34-F49 HydrophobicContact CG2-CE2 3.61Å; M47-F49 HydrophobicContact CB-CD2 4.16Å; M47-F49 HydrophobicContact CB-CE2 3.51Å; M47-F49 HydrophobicContact CB-CZ 4.1Å; M47-F49 HydrophobicContact CE-CZ 4.37Å; M47-F49 HydrophobicContact CG-CE2 4.39Å; F49-M91 HydrophobicContact CD1-CB 4.22Å; F49-M91 HydrophobicContact CD1-CG 4.16Å; F49-M91 HydrophobicContact CE1-CB 4.27Å; F49-M91 HydrophobicContact CE1-CG 3.88Å; F49-M91 HydrophobicContact CZ-CG 4.33Å |
| 50 | G | 90.3 | Very high | 81.2 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 6% | 0.062 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.9 | -155.6 | -172 | 0 | 0 | 0 | 0 | 0 | 112.5 | A29 N90 | A29-G50 CarbonylContact O-C 3.54Å; A29-G50 WeakPolarHBondContact O-CA 3.31Å; G50-N90 PolarHBondContact N-O 2.86Å; G50-N90 CarbonylContact O-C 3.33Å; G50-N90 VanDerWaalsContact O-CA 3.27Å; G50-N90 WeakPolarHBondContact O-CA 3.17Å; G50-N90 VanDerWaalsContact O-O 3.12Å |
| 51 | C | 88.8 | Confident | 79.1 | Confident | 17 Ų | 17 | 54.1 Ų | 54.1 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 155.3 | 173.2 | 69.4 | 0 | 0 | 0 | 0 | 110.4 | C27 P28 A29 F53 | C27-C51 HydrophobicContact CB-CB 4.07Å; C27-C51 WeakPolarHBondContact CB-SG 3.08Å; C27-C51 WeakPolarHBondContact SG-CB 3.47Å; C27-C51 CovalentContact SG-SG 2.05Å; C27-C51 PolarHBondContact SG-SG 3.29Å; P28-C51 VanDerWaalsContact CA-O 3.24Å; P28-C51 WeakPolarHBondContact CA-O 3.33Å; A29-C51 PolarHBondContact N-O 2.98Å; A29-C51 PolarHBondContact O-N 3.27Å; C51-F53 VanDerWaalsContact C-N 3.35Å |
| 52 | G | 87.5 | Confident | 77.1 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 38% | 0.381 | 35% | 0.347 | S | S | . | . | trans | 74.1 | 22.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G89 | G52-G89 PolarHBondContact N-O 2.97Å; G52-G89 VanDerWaalsContact N-O 3.16Å | ||
| 53 | F | 89.3 | Confident | 75.2 | Confident | 9 Ų | 9 | 59 Ų | 59 | 4% | 0.039 | 37% | 0.365 | C | S | . | . | trans | -72.2 | 146.8 | 167.7 | -54.4 | -46.3 | 0 | 0 | 0 | 109.7 | V30 I48 C51 G88 G89 I92 I108 V110 I115 | V30-F53 HydrophobicContact CG2-CE1 4.31Å; V30-F53 HydrophobicContact CG2-CZ 4.18Å; I48-F53 HydrophobicContact CG2-CE2 4.41Å; I48-F53 HydrophobicContact CG2-CZ 3.89Å; C51-F53 VanDerWaalsContact C-N 3.35Å; F53-G88 WeakPolarHBondContact CB-O 3.49Å; F53-G89 PolarHBondContact N-O 3.36Å; F53-I92 HydrophobicContact CB-CD1 3.97Å; F53-I92 HydrophobicContact CB-CG1 4.12Å; F53-I92 HydrophobicContact CD1-CD1 3.47Å; F53-I92 VanDerWaalsContact CD1-CD1 3.47Å; F53-I92 HydrophobicContact CD1-CG1 4.27Å; F53-I92 HydrophobicContact CD2-CD1 3.88Å; F53-I92 HydrophobicContact CD2-CG1 3.75Å; F53-I92 HydrophobicContact CE1-CD1 3.84Å; F53-I92 HydrophobicContact CE2-CD1 4.2Å; F53-I92 HydrophobicContact CE2-CG1 4.18Å; F53-I92 HydrophobicContact CG-CD1 3.5Å; F53-I92 VanDerWaalsContact CG-CD1 3.5Å; F53-I92 HydrophobicContact CG-CG1 3.79Å; F53-I92 HydrophobicContact CZ-CD1 4.19Å; F53-I108 HydrophobicContact CE1-CD1 4.39Å; F53-V110 HydrophobicContact CD1-CG2 4.25Å; F53-I115 HydrophobicContact CE1-CD1 4.18Å | ||
| 54 | E | 83.8 | Confident | 73.4 | Confident | 55 Ų | 55 | 65.3 Ų | 65.3 | 26% | 0.257 | 40% | 0.395 | S | S | . | . | trans | -72.2 | 132 | 179.6 | -161.3 | 166.7 | -178.1 | 0 | 0 | 109.3 | S56 G68 N69 V110 S111 | E54-S56 PolarHBondContact O-N 3.18Å; E54-G68 VanDerWaalsContact OE2-CA 3.32Å; E54-G68 WeakPolarHBondContact OE2-CA 3.32Å; E54-G68 PolarHBondContact OE2-N 2.99Å; E54-N69 PolarHBondContact N-ND2 3.2Å; E54-N69 PolarHBondContact N-OD1 2.82Å; E54-N69 PolarHBondContact O-ND2 3.12Å; E54-V110 HydrophobicContact CB-CG1 4.17Å; E54-S111 PolarHBondContact OE2-OG 3.34Å | ||
| 55 | Q | 73.8 | Confident | 71.9 | Confident | 154 Ų | 154 | 70 Ų | 70 | 72% | 0.72 | 43% | 0.428 | S | S | * | . | trans | -86.8 | 98.8 | 172.8 | -69.5 | -179.7 | 13.8 | 0 | 0 | 107.7 | ||||
| 56 | S | 63.5 | Low | 70.7 | Confident | 46 Ų | 46 | 73.5 Ų | 73.5 | 32% | 0.322 | 44% | 0.443 | S | S | . | . | trans | -149.8 | 111.7 | 172.4 | -76.4 | 0 | 0 | 0 | 0 | 109.9 | E54 F58 | E54-S56 PolarHBondContact O-N 3.18Å; S56-F58 VanDerWaalsContact C-N 3.33Å | ||
| 57 | A | 55.1 | Low | 69.5 | Low | 87 Ų | 87 | 75.2 Ų | 75.2 | 72% | 0.719 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -80.5 | -12 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 58 | F | 52 | Low | 68.9 | Low | 186 Ų | 186 | 73.7 Ų | 73.7 | 82% | 0.816 | 45% | 0.449 | S | S | * | . | trans | -149.1 | 119.7 | -174.6 | -73.4 | -87 | 0 | 0 | 0 | 112.2 | S56 | S56-F58 VanDerWaalsContact C-N 3.33Š| ||
| 59 | V | 53.2 | Low | 68.5 | Low | 94 Ų | 94 | 74.2 Ų | 74.2 | 57% | 0.57 | 45% | 0.452 | S | S | * | . | trans | -94.8 | 108.3 | 165.6 | -179.7 | 0 | 0 | 0 | 0 | 107.3 | S63 | V59-S63 WeakPolarHBondContact CG1-OG 3.3Š| ||
| 60 | L | 48.6 | Very low | 68.3 | Low | 135 Ų | 135 | 74 Ų | 74 | 71% | 0.707 | 45% | 0.45 | S | S | * | . | trans | -65 | 140.9 | 175.5 | -72.9 | 167.5 | 0 | 0 | 0 | 110.4 | G62 S63 | L60-G62 PolarHBondContact O-N 3.47Å; L60-G62 VanDerWaalsContact O-N 3.16Å; L60-S63 PolarHBondContact O-N 2.98Å; L60-S63 PolarHBondContact O-OG 3.29Å | ||
| 61 | P | 47.4 | Very low | 68.3 | Low | 133 Ų | 133 | 73.7 Ų | 73.7 | 86% | 0.864 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 120.5 | 169.8 | -18.9 | 29.7 | 0 | 0 | 0 | 109.8 | ||
| 62 | G | 50.1 | Low | 68.3 | Low | 88 Ų | 88 | 75.3 Ų | 75.3 | 91% | 0.907 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 108.5 | -3.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116 | L60 | L60-G62 PolarHBondContact O-N 3.47Å; L60-G62 VanDerWaalsContact O-N 3.16Å |
| 63 | S | 51.2 | Low | 68.4 | Low | 54 Ų | 54 | 73.5 Ų | 73.5 | 38% | 0.378 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -77.2 | 154.6 | 170 | 51.6 | 0 | 0 | 0 | 0 | 112.2 | V59 L60 S65 | V59-S63 WeakPolarHBondContact CG1-OG 3.3Å; L60-S63 PolarHBondContact O-N 2.98Å; L60-S63 PolarHBondContact O-OG 3.29Å; S63-S65 PolarHBondContact O-N 3.42Å |
| 64 | N | 52.4 | Low | 68 | Low | 143 Ų | 143 | 79.7 Ų | 79.7 | 77% | 0.765 | 46% | 0.457 | S | S | * | . | trans | -47.5 | 124.7 | -179.7 | -90.5 | -16.1 | 0 | 0 | 0 | 110.6 | N66 S67 | N64-N66 PolarHBondContact O-N 2.81Å; N64-S67 PolarHBondContact O-N 2.85Å; N64-S67 VanDerWaalsContact O-N 3.16Å; N64-S67 PolarHBondContact O-OG 2.97Å | ||
| 65 | S | 60.7 | Low | 67.8 | Low | 98 Ų | 98 | 78 Ų | 78 | 69% | 0.685 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -9.1 | -174.8 | 62.6 | 0 | 0 | 0 | 0 | 114.9 | S63 R70 | S63-S65 PolarHBondContact O-N 3.42Å; S65-R70 PolarHBondContact O-NH2 3.36Å |
| 66 | N | 65.7 | Low | 67.3 | Low | 100 Ų | 100 | 74.6 Ų | 74.6 | 54% | 0.535 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -17 | -176.9 | -73.4 | -3 | 0 | 0 | 0 | 114.8 | N64 R70 S111 G112 | N64-N66 PolarHBondContact O-N 2.81Å; N66-R70 PolarHBondContact O-NH1 2.84Å; N66-R70 VanDerWaalsContact O-NH1 3.09Å; N66-S111 CarbonylContact O-C 3.58Å; N66-S111 WeakPolarHBondContact O-CA 2.96Å; N66-G112 PolarHBondContact O-N 2.82Å |
| 67 | S | 69.5 | Low | 67 | Low | 37 Ų | 37 | 80.5 Ų | 80.5 | 26% | 0.259 | 47% | 0.465 | S | S | . | . | trans | -66.5 | 157.5 | -179.9 | 58.2 | 0 | 0 | 0 | 0 | 113 | N64 R70 | N64-S67 PolarHBondContact O-N 2.85Å; N64-S67 VanDerWaalsContact O-N 3.16Å; N64-S67 PolarHBondContact O-OG 2.97Å; S67-R70 PolarHBondContact O-NH2 3.38Å | ||
| 68 | G | 79.1 | Confident | 67.4 | Low | 7 Ų | 7 | 77 Ų | 77 | 7% | 0.072 | 43% | 0.434 | C | S | . | . | S | Bend | trans | 95.6 | 168.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | E54 S111 | E54-G68 VanDerWaalsContact OE2-CA 3.32Å; E54-G68 WeakPolarHBondContact OE2-CA 3.32Å; E54-G68 PolarHBondContact OE2-N 2.99Å; G68-S111 PolarHBondContact O-N 3.18Å |
| 69 | N | 85.9 | Confident | 68.5 | Low | 11 Ų | 11 | 72.2 Ų | 72.2 | 6% | 0.059 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 143.3 | 173.8 | -54 | -62.5 | 0 | 0 | 0 | 110.2 | E54 L84 E87 I92 S109 | E54-N69 PolarHBondContact N-ND2 3.2Å; E54-N69 PolarHBondContact N-OD1 2.82Å; E54-N69 PolarHBondContact O-ND2 3.12Å; N69-L84 HydrophobicContact CB-CD1 3.74Å; N69-L84 WeakPolarHBondContact O-CD1 3.42Å; N69-E87 WeakPolarHBondContact CB-OE2 3.3Å; N69-E87 PolarHBondContact ND2-OE2 2.81Å; N69-I92 HydrophobicContact CB-CD1 3.83Å; N69-S109 CarbonylContact C-O 3.58Å; N69-S109 WeakPolarHBondContact CA-O 3.18Å |
| 70 | R | 86.6 | Confident | 69.9 | Low | 56 Ų | 56 | 70.1 Ų | 70.1 | 21% | 0.211 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 135.1 | 169.4 | -54.1 | 178.3 | 173.7 | 83.8 | 10 | 110.2 | S65 N66 S67 F72 I108 S109 | S65-R70 PolarHBondContact O-NH2 3.36Å; N66-R70 PolarHBondContact O-NH1 2.84Å; N66-R70 VanDerWaalsContact O-NH1 3.09Å; S67-R70 PolarHBondContact O-NH2 3.38Å; R70-F72 HydrophobicContact CB-CD2 4.49Å; R70-F72 HydrophobicContact CB-CE2 3.71Å; R70-F72 HydrophobicContact CB-CZ 3.88Å; R70-I108 CarbonylContact O-C 3.57Å; R70-I108 VanDerWaalsContact O-CA 3.26Å; R70-I108 WeakPolarHBondContact O-CA 3.36Å; R70-S109 WeakPolarHBondContact CB-OG 3.47Å; R70-S109 PolarHBondContact N-O 2.93Å; R70-S109 PolarHBondContact O-N 3.18Å |
| 71 | V | 89.4 | Confident | 71.6 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 132.1 | 176.8 | 174.9 | 0 | 0 | 0 | 0 | 108.8 | I48 A82 L84 I92 F94 I106 I108 | I48-V71 HydrophobicContact CD1-CG1 4.05Å; I48-V71 HydrophobicContact CD1-CG2 3.6Å; V71-A82 HydrophobicContact CB-CB 4.1Å; V71-A82 HydrophobicContact CG1-CB 4.07Å; V71-A82 PolarHBondContact O-N 2.97Å; V71-L84 HydrophobicContact CB-CD2 4.05Å; V71-L84 HydrophobicContact CG2-CD2 3.66Å; V71-I92 HydrophobicContact CG2-CG2 4.25Å; V71-F94 HydrophobicContact CG1-CD1 3.99Å; V71-F94 HydrophobicContact CG1-CE1 3.84Å; V71-F94 HydrophobicContact CG1-CG 4.46Å; V71-F94 HydrophobicContact CG1-CZ 4.18Å; V71-F94 HydrophobicContact CG2-CD1 4.46Å; V71-I106 HydrophobicContact CG1-CG2 3.89Å; V71-I108 HydrophobicContact CG2-CD1 4.44Å; V71-I108 HydrophobicContact CG2-CG1 4.22Å |
| 72 | F | 89.6 | Confident | 73.4 | Confident | 51 Ų | 51 | 64.4 Ų | 64.4 | 22% | 0.224 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 130.7 | 179.9 | -58.3 | -83 | 0 | 0 | 0 | 109.9 | R70 T79 Y80 K81 I106 R107 | R70-F72 HydrophobicContact CB-CD2 4.49Å; R70-F72 HydrophobicContact CB-CE2 3.71Å; R70-F72 HydrophobicContact CB-CZ 3.88Å; F72-T79 HydrophobicContact CB-CG2 3.72Å; F72-T79 HydrophobicContact CD1-CG2 3.94Å; F72-T79 HydrophobicContact CG-CG2 4.19Å; F72-Y80 CarbonylContact C-O 3.52Å; F72-Y80 VanDerWaalsContact CA-O 3.25Å; F72-Y80 WeakPolarHBondContact CA-O 3.34Å; F72-K81 HydrophobicContact CD1-CB 4.29Å; F72-K81 HydrophobicContact CE1-CB 4.34Å; F72-K81 HydrophobicContact CE1-CG 4.28Å; F72-I106 CarbonylContact O-C 3.58Å; F72-I106 WeakPolarHBondContact O-CA 3.22Å; F72-R107 HydrophobicContact CB-CB 4.21Å; F72-R107 PolarHBondContact N-O 3.21Å; F72-R107 PolarHBondContact O-N 2.74Å |
| 73 | L | 89.9 | Confident | 75.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 114 | 173.1 | -57.4 | 106.9 | 0 | 0 | 0 | 109 | T79 Y80 A82 F94 P97 L99 Y104 L128 | L73-T79 CarbonylContact O-C 3.58Å; L73-T79 WeakPolarHBondContact O-CA 3.1Å; L73-Y80 PolarHBondContact N-O 3.01Å; L73-Y80 PolarHBondContact O-N 3.2Å; L73-A82 HydrophobicContact CD1-CB 3.86Å; L73-F94 HydrophobicContact CD1-CE2 4.3Å; L73-F94 HydrophobicContact CD2-CE2 4.33Å; L73-F94 HydrophobicContact CD2-CZ 4.39Å; L73-P97 HydrophobicContact CD1-CG 3.93Å; L73-L99 HydrophobicContact CD2-CD1 4.12Å; L73-Y104 HydrophobicContact CB-CD1 4.28Å; L73-Y104 HydrophobicContact CB-CG 4.5Å; L73-L128 HydrophobicContact CD2-CB 4.49Å; L73-L128 HydrophobicContact CD2-CD2 3.42Å; L73-L128 VanDerWaalsContact CD2-CD2 3.42Å |
| 74 | R | 81.5 | Confident | 76.7 | Confident | 138 Ų | 138 | 67 Ų | 67 | 52% | 0.521 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 119.4 | -174.4 | -177 | 172.8 | 178 | -177.3 | 1.4 | 111.5 | Q78 Y104 T105 | R74-Q78 CarbonylContact C-O 3.56Å; R74-Q78 VanDerWaalsContact CA-O 3.24Å; R74-Q78 WeakPolarHBondContact CA-O 3.41Å; R74-Y104 CarbonylContact O-C 3.57Å; R74-Y104 WeakPolarHBondContact O-CA 3.41Å; R74-T105 PolarHBondContact N-O 3.29Å; R74-T105 PolarHBondContact O-N 3.09Å |
| 75 | S | 77.8 | Confident | 78.3 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 13% | 0.133 | 33% | 0.332 | C | S | . | . | trans | -88.8 | -177.1 | 164.4 | 70.6 | 0 | 0 | 0 | 0 | 110.3 | W77 Q78 | S75-W77 PolarHBondContact O-N 3.18Å; S75-W77 VanDerWaalsContact O-N 3.08Å; S75-W77 PolarHBondContact OG-N 3.28Å; S75-W77 VanDerWaalsContact OG-N 3.12Å; S75-Q78 PolarHBondContact N-O 3.03Å; S75-Q78 PolarHBondContact OG-N 3.47Å | ||
| 76 | A | 65.3 | Low | 79.4 | Confident | 84 Ų | 84 | 64.5 Ų | 64.5 | 69% | 0.694 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -56 | -22.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 77 | W | 56.1 | Low | 80.4 | Confident | 169 Ų | 169 | 62.9 Ų | 62.9 | 64% | 0.64 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -115 | -44.1 | -167.5 | -46.7 | 118.9 | 0 | 0 | 0 | 112.4 | S75 | S75-W77 PolarHBondContact O-N 3.18Å; S75-W77 VanDerWaalsContact O-N 3.08Å; S75-W77 PolarHBondContact OG-N 3.28Å; S75-W77 VanDerWaalsContact OG-N 3.12Å |
| 78 | Q | 62.6 | Low | 81.1 | Confident | 15 Ų | 15 | 62.1 Ų | 62.1 | 7% | 0.07 | 31% | 0.308 | C | S | . | . | trans | -128.6 | 159.7 | -166.8 | -73.9 | 170.9 | -39.6 | 0 | 0 | 113 | R74 S75 Y80 | R74-Q78 CarbonylContact C-O 3.56Å; R74-Q78 VanDerWaalsContact CA-O 3.24Å; R74-Q78 WeakPolarHBondContact CA-O 3.41Å; S75-Q78 PolarHBondContact N-O 3.03Å; S75-Q78 PolarHBondContact OG-N 3.47Å; Q78-Y80 HydrophobicContact CB-CD2 4.11Å; Q78-Y80 HydrophobicContact CB-CE2 3.5Å; Q78-Y80 VanDerWaalsContact CB-CE2 3.5Å; Q78-Y80 VanDerWaalsContact CD-OH 3.26Å; Q78-Y80 HydrophobicContact CG-CE2 4.35Å; Q78-Y80 VanDerWaalsContact OE1-CE2 3.32Å; Q78-Y80 VanDerWaalsContact OE1-CZ 3.25Å; Q78-Y80 PolarHBondContact OE1-OH 2.99Å | ||
| 79 | T | 75.6 | Confident | 81.4 | Confident | 85 Ų | 85 | 62.5 Ų | 62.5 | 52% | 0.521 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 122.8 | 169.2 | -57.1 | 0 | 0 | 0 | 0 | 109.2 | F72 L73 | F72-T79 HydrophobicContact CB-CG2 3.72Å; F72-T79 HydrophobicContact CD1-CG2 3.94Å; F72-T79 HydrophobicContact CG-CG2 4.19Å; L73-T79 CarbonylContact O-C 3.58Å; L73-T79 WeakPolarHBondContact O-CA 3.1Å |
| 80 | Y | 82.5 | Confident | 81.6 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 19% | 0.192 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130.4 | 177.7 | -65.2 | -95.8 | 0 | 0 | 0 | 109.3 | F72 L73 Q78 L99 Y104 | F72-Y80 CarbonylContact C-O 3.52Å; F72-Y80 VanDerWaalsContact CA-O 3.25Å; F72-Y80 WeakPolarHBondContact CA-O 3.34Å; L73-Y80 PolarHBondContact N-O 3.01Å; L73-Y80 PolarHBondContact O-N 3.2Å; Q78-Y80 HydrophobicContact CB-CD2 4.11Å; Q78-Y80 HydrophobicContact CB-CE2 3.5Å; Q78-Y80 VanDerWaalsContact CB-CE2 3.5Å; Q78-Y80 VanDerWaalsContact CD-OH 3.26Å; Q78-Y80 HydrophobicContact CG-CE2 4.35Å; Q78-Y80 VanDerWaalsContact OE1-CE2 3.32Å; Q78-Y80 VanDerWaalsContact OE1-CZ 3.25Å; Q78-Y80 PolarHBondContact OE1-OH 2.99Å; Y80-L99 HydrophobicContact CD1-CD2 3.48Å; Y80-L99 VanDerWaalsContact CD1-CD2 3.48Å; Y80-L99 HydrophobicContact CD2-CD2 3.45Å; Y80-L99 VanDerWaalsContact CD2-CD2 3.45Å; Y80-L99 HydrophobicContact CE1-CD2 3.54Å; Y80-L99 HydrophobicContact CE2-CD2 3.54Å; Y80-L99 HydrophobicContact CG-CD2 3.41Å; Y80-L99 VanDerWaalsContact CG-CD2 3.41Å; Y80-Y104 HydrophobicContact CD2-CD1 4.42Å; Y80-Y104 AromaticContact CD2-CE1 3.99Å; Y80-Y104 HydrophobicContact CD2-CE1 3.99Å; Y80-Y104 AromaticContact CE2-CE1 3.82Å; Y80-Y104 HydrophobicContact CE2-CE1 3.82Å |
| 81 | K | 84.1 | Confident | 81.8 | Confident | 143 Ų | 143 | 66.4 Ų | 66.4 | 62% | 0.622 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 130.4 | 171.3 | -174 | -174.7 | 173.7 | -165.4 | 0 | 109 | F72 | F72-K81 HydrophobicContact CD1-CB 4.29Å; F72-K81 HydrophobicContact CE1-CB 4.34Å; F72-K81 HydrophobicContact CE1-CG 4.28Å |
| 82 | A | 86.7 | Confident | 81.9 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 149.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V71 L73 F94 | V71-A82 HydrophobicContact CB-CB 4.1Å; V71-A82 HydrophobicContact CG1-CB 4.07Å; V71-A82 PolarHBondContact O-N 2.97Å; L73-A82 HydrophobicContact CD1-CB 3.86Å; A82-F94 HydrophobicContact CB-CB 4.16Å; A82-F94 HydrophobicContact CB-CD2 3.45Å; A82-F94 VanDerWaalsContact CB-CD2 3.45Å; A82-F94 HydrophobicContact CB-CE2 3.95Å; A82-F94 HydrophobicContact CB-CG 3.9Å |
| 83 | E | 84.6 | Confident | 81.9 | Confident | 165 Ų | 165 | 66.9 Ų | 66.9 | 77% | 0.771 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 125.3 | 172.8 | -171.7 | 175.1 | -174.3 | 0 | 0 | 110.3 | F94 S95 | E83-F94 WeakPolarHBondContact O-CA 3.4Å; E83-F94 VanDerWaalsContact O-CB 3.28Å; E83-F94 WeakPolarHBondContact O-CB 3.23Å; E83-S95 PolarHBondContact O-N 2.87Å |
| 84 | L | 86.2 | Confident | 82 | Confident | 32 Ų | 32 | 66.9 Ų | 66.9 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 135 | -177.5 | -52.7 | -172.8 | 0 | 0 | 0 | 109.8 | N69 V71 E87 I92 F94 | N69-L84 HydrophobicContact CB-CD1 3.74Å; N69-L84 WeakPolarHBondContact O-CD1 3.42Å; V71-L84 HydrophobicContact CB-CD2 4.05Å; V71-L84 HydrophobicContact CG2-CD2 3.66Å; L84-E87 HydrophobicContact CB-CG 4.01Å; L84-E87 VanDerWaalsContact CD1-CD 3.43Å; L84-E87 HydrophobicContact CD1-CG 3.91Å; L84-E87 WeakPolarHBondContact CD1-OE1 3.39Å; L84-I92 HydrophobicContact CD1-CG2 4.06Å; L84-I92 HydrophobicContact CD2-CG2 3.61Å; L84-I92 HydrophobicContact CG-CG2 4.32Å; L84-F94 HydrophobicContact CD2-CB 3.78Å |
| 85 | V | 84.9 | Confident | 82.5 | Confident | 92 Ų | 92 | 62.5 Ų | 62.5 | 56% | 0.558 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | -35.8 | -178.1 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | K93 | V85-K93 HydrophobicContact CB-CG 4.26Å; V85-K93 HydrophobicContact CG1-CD 4.4Å; V85-K93 PolarHBondContact N-O 2.77Å |
| 86 | E | 84.9 | Confident | 83.1 | Confident | 96 Ų | 96 | 61.8 Ų | 61.8 | 45% | 0.449 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 134.2 | -179.8 | -159.6 | -179.9 | 158.4 | 0 | 0 | 108.9 | M91 K93 | E86-M91 HydrophobicContact CG-CE 4.29Å; E86-K93 HydrophobicContact CB-CB 3.7Å; E86-K93 HydrophobicContact CB-CD 4.15Å; E86-K93 PolarHBondContact N-O 3.24Å; E86-K93 PolarHBondContact O-N 3.25Å |
| 87 | E | 85.6 | Confident | 84.2 | Confident | 67 Ų | 67 | 59.5 Ų | 59.5 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 125.5 | -176.8 | -62.5 | -172.8 | -127.6 | 0 | 0 | 109.9 | N69 L84 | N69-E87 WeakPolarHBondContact CB-OE2 3.3Å; N69-E87 PolarHBondContact ND2-OE2 2.81Å; L84-E87 HydrophobicContact CB-CG 4.01Å; L84-E87 VanDerWaalsContact CD1-CD 3.43Å; L84-E87 HydrophobicContact CD1-CG 3.91Å; L84-E87 WeakPolarHBondContact CD1-OE1 3.39Å |
| 88 | G | 84.7 | Confident | 85.8 | Confident | 21 Ų | 21 | 57.8 Ų | 57.8 | 22% | 0.216 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 162.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F53 N90 M91 | F53-G88 WeakPolarHBondContact CB-O 3.49Å; G88-N90 PolarHBondContact O-N 3.32Å; G88-M91 CarbonylContact C-O 3.56Å; G88-M91 WeakPolarHBondContact CA-O 3.47Å; G88-M91 PolarHBondContact N-O 2.8Å; G88-M91 PolarHBondContact O-N 2.9Å; G88-M91 VanDerWaalsContact O-N 3.17Å |
| 89 | G | 85 | Confident | 86.9 | Confident | 15 Ų | 15 | 57.3 Ų | 57.3 | 16% | 0.155 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -22.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | G52 F53 | G52-G89 PolarHBondContact N-O 2.97Å; G52-G89 VanDerWaalsContact N-O 3.16Å; F53-G89 PolarHBondContact N-O 3.36Å |
| 90 | N | 89.8 | Confident | 87.3 | Confident | 112 Ų | 112 | 56.5 Ų | 56.5 | 60% | 0.599 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.7 | -1.6 | -178.5 | -61.4 | -23.8 | 0 | 0 | 0 | 113.7 | G50 G88 | G50-N90 PolarHBondContact N-O 2.86Å; G50-N90 CarbonylContact O-C 3.33Å; G50-N90 VanDerWaalsContact O-CA 3.27Å; G50-N90 WeakPolarHBondContact O-CA 3.17Å; G50-N90 VanDerWaalsContact O-O 3.12Å; G88-N90 PolarHBondContact O-N 3.32Å |
| 91 | M | 90.6 | Very high | 87.4 | Confident | 36 Ų | 36 | 59.8 Ų | 59.8 | 18% | 0.177 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 135 | -174.9 | 179.1 | -84.9 | -72.9 | 0 | 0 | 111.2 | M47 I48 F49 E86 G88 K93 | M47-M91 HydrophobicContact CE-CE 3.66Å; M47-M91 HydrophobicContact CE-CG 3.63Å; M47-M91 HydrophobicContact CE-SD 3.24Å; M47-M91 WeakPolarHBondContact CE-SD 3.29Å; M47-M91 HydrophobicContact SD-SD 4.33Å; I48-M91 CarbonylContact O-C 3.04Å; I48-M91 VanDerWaalsContact O-CA 3.29Å; I48-M91 WeakPolarHBondContact O-CA 3.38Å; F49-M91 HydrophobicContact CD1-CB 4.22Å; F49-M91 HydrophobicContact CD1-CG 4.16Å; F49-M91 HydrophobicContact CE1-CB 4.27Å; F49-M91 HydrophobicContact CE1-CG 3.88Å; F49-M91 HydrophobicContact CZ-CG 4.33Å; E86-M91 HydrophobicContact CG-CE 4.29Å; G88-M91 CarbonylContact C-O 3.56Å; G88-M91 WeakPolarHBondContact CA-O 3.47Å; G88-M91 PolarHBondContact N-O 2.8Å; G88-M91 PolarHBondContact O-N 2.9Å; G88-M91 VanDerWaalsContact O-N 3.17Å; M91-K93 HydrophobicContact SD-CB 4.11Å |
| 92 | I | 91.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 130.7 | 169.3 | -63 | 166.4 | 0 | 0 | 0 | 107.9 | I48 F53 N69 V71 L84 I108 | I48-I92 HydrophobicContact CB-CB 4.35Å; I48-I92 PolarHBondContact N-O 2.03Å; I48-I92 PolarHBondContact O-N 3.32Å; F53-I92 HydrophobicContact CB-CD1 3.97Å; F53-I92 HydrophobicContact CB-CG1 4.12Å; F53-I92 HydrophobicContact CD1-CD1 3.47Å; F53-I92 VanDerWaalsContact CD1-CD1 3.47Å; F53-I92 HydrophobicContact CD1-CG1 4.27Å; F53-I92 HydrophobicContact CD2-CD1 3.88Å; F53-I92 HydrophobicContact CD2-CG1 3.75Å; F53-I92 HydrophobicContact CE1-CD1 3.84Å; F53-I92 HydrophobicContact CE2-CD1 4.2Å; F53-I92 HydrophobicContact CE2-CG1 4.18Å; F53-I92 HydrophobicContact CG-CD1 3.5Å; F53-I92 VanDerWaalsContact CG-CD1 3.5Å; F53-I92 HydrophobicContact CG-CG1 3.79Å; F53-I92 HydrophobicContact CZ-CD1 4.19Å; N69-I92 HydrophobicContact CB-CD1 3.83Å; V71-I92 HydrophobicContact CG2-CG2 4.25Å; L84-I92 HydrophobicContact CD1-CG2 4.06Å; L84-I92 HydrophobicContact CD2-CG2 3.61Å; L84-I92 HydrophobicContact CG-CG2 4.32Å; I92-I108 HydrophobicContact CD1-CG2 4.45Å |
| 93 | K | 91 | Very high | 87.6 | Confident | 61 Ų | 61 | 57.6 Ų | 57.6 | 27% | 0.265 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 132.2 | 172 | -176.2 | 175.8 | -172.9 | -179.5 | 0 | 109.2 | I46 M47 V85 E86 M91 | I46-K93 WeakPolarHBondContact O-CA 3.15Å; M47-K93 HydrophobicContact CE-CB 4.21Å; M47-K93 HydrophobicContact CE-CD 4.34Å; M47-K93 HydrophobicContact CE-CG 4.48Å; M47-K93 HydrophobicContact SD-CB 3.52Å; M47-K93 VanDerWaalsContact SD-CB 3.52Å; M47-K93 HydrophobicContact SD-CD 3.53Å; M47-K93 VanDerWaalsContact SD-CD 3.53Å; M47-K93 HydrophobicContact SD-CG 3.33Å; M47-K93 WeakPolarHBondContact SD-CG 3.4Å; V85-K93 HydrophobicContact CB-CG 4.26Å; V85-K93 HydrophobicContact CG1-CD 4.4Å; V85-K93 PolarHBondContact N-O 2.77Å; E86-K93 HydrophobicContact CB-CB 3.7Å; E86-K93 HydrophobicContact CB-CD 4.15Å; E86-K93 PolarHBondContact N-O 3.24Å; E86-K93 PolarHBondContact O-N 3.25Å; M91-K93 HydrophobicContact SD-CB 4.11Å |
| 94 | F | 92 | Very high | 87.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 155.2 | 170.9 | 73.3 | -89.8 | 0 | 0 | 0 | 110.4 | I46 I48 V71 L73 A82 E83 L84 I106 | I46-F94 HydrophobicContact CB-CD1 4.05Å; I46-F94 HydrophobicContact CB-CD2 4.45Å; I46-F94 HydrophobicContact CB-CE1 3.53Å; I46-F94 HydrophobicContact CB-CE2 3.99Å; I46-F94 HydrophobicContact CB-CG 4.49Å; I46-F94 HydrophobicContact CB-CZ 3.51Å; I46-F94 HydrophobicContact CG1-CE1 4.37Å; I46-F94 HydrophobicContact CG1-CE2 4.01Å; I46-F94 HydrophobicContact CG1-CZ 3.84Å; I46-F94 HydrophobicContact CG2-CD1 4.4Å; I46-F94 HydrophobicContact CG2-CE1 3.53Å; I46-F94 HydrophobicContact CG2-CZ 3.66Å; I46-F94 PolarHBondContact N-O 2.78Å; I46-F94 PolarHBondContact O-N 3.03Å; I48-F94 HydrophobicContact CD1-CD1 3.73Å; I48-F94 HydrophobicContact CD1-CE1 3.6Å; I48-F94 HydrophobicContact CG1-CD1 4.36Å; I48-F94 HydrophobicContact CG1-CE1 4.05Å; V71-F94 HydrophobicContact CG1-CD1 3.99Å; V71-F94 HydrophobicContact CG1-CE1 3.84Å; V71-F94 HydrophobicContact CG1-CG 4.46Å; V71-F94 HydrophobicContact CG1-CZ 4.18Å; V71-F94 HydrophobicContact CG2-CD1 4.46Å; L73-F94 HydrophobicContact CD1-CE2 4.3Å; L73-F94 HydrophobicContact CD2-CE2 4.33Å; L73-F94 HydrophobicContact CD2-CZ 4.39Å; A82-F94 HydrophobicContact CB-CB 4.16Å; A82-F94 HydrophobicContact CB-CD2 3.45Å; A82-F94 VanDerWaalsContact CB-CD2 3.45Å; A82-F94 HydrophobicContact CB-CE2 3.95Å; A82-F94 HydrophobicContact CB-CG 3.9Å; E83-F94 WeakPolarHBondContact O-CA 3.4Å; E83-F94 VanDerWaalsContact O-CB 3.28Å; E83-F94 WeakPolarHBondContact O-CB 3.23Å; L84-F94 HydrophobicContact CD2-CB 3.78Å; F94-I106 HydrophobicContact CE1-CD1 4.19Å; F94-I106 HydrophobicContact CZ-CD1 3.97Å |
| 95 | S | 90.2 | Very high | 88 | Confident | 46 Ų | 46 | 50.9 Ų | 50.9 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 128.7 | 170.4 | -163.6 | 0 | 0 | 0 | 0 | 109 | G43 E83 | G43-S95 VanDerWaalsContact CA-OG 3.27Å; G43-S95 WeakPolarHBondContact CA-OG 3.33Å; E83-S95 PolarHBondContact O-N 2.87Å |
| 96 | S | 90.9 | Very high | 88.3 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.028 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 132.9 | 177 | 63 | 0 | 0 | 0 | 0 | 110.1 | G42 G43 S44 | G42-S96 CarbonylContact C-O 3.56Å; G42-S96 WeakPolarHBondContact CA-O 3.4Å; G42-S96 WeakPolarHBondContact CA-OG 3.34Å; G43-S96 PolarHBondContact N-O 3.19Å; G43-S96 PolarHBondContact N-OG 3.18Å; S44-S96 VanDerWaalsContact CB-OG 3.32Å; S44-S96 WeakPolarHBondContact CB-OG 2.95Å; S44-S96 PolarHBondContact N-OG 3.4Å; S44-S96 PolarHBondContact O-N 2.91Å |
| 97 | P | 89 | Confident | 88.5 | Confident | 36 Ų | 36 | 44.7 Ų | 44.7 | 23% | 0.234 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -72 | 163.9 | 171.7 | 28.2 | -30.6 | 0 | 0 | 0 | 110.5 | G42 L73 L99 | G42-P97 WeakPolarHBondContact CA-O 3.47Å; L73-P97 HydrophobicContact CD1-CG 3.93Å; P97-L99 HydrophobicContact CG-CD1 3.97Å; P97-L99 HydrophobicContact CG-CD2 4.32Å; P97-L99 HydrophobicContact CG-CG 4Å; P97-L99 WeakPolarHBondContact O-CG 3.39Å; P97-L99 PolarHBondContact O-N 2.86Å |
| 98 | K | 89 | Confident | 88.6 | Confident | 134 Ų | 134 | 41.5 Ų | 41.5 | 58% | 0.583 | 24% | 0.236 | S | C | * | . | P | Polyproline II helix | trans | -62.3 | 120.6 | 169.1 | 177.5 | 167.3 | -173.8 | 154.8 | 0 | 109.3 | T40 E41 | T40-K98 WeakPolarHBondContact O-CG 3.28Å; E41-K98 WeakPolarHBondContact OE1-CE 3.46Å; E41-K98 IonicContact OE1-NZ 3.79Å; E41-K98 PolarHBondContact OE1-NZ 3.48Å; E41-K98 VanDerWaalsContact OE2-CE 3.32Å; E41-K98 WeakPolarHBondContact OE2-CE 3.45Å; E41-K98 IonicContact OE2-NZ 3.27Å; E41-K98 PolarHBondContact OE2-NZ 2.83Å |
| 99 | L | 85.9 | Confident | 88.7 | Confident | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.026 | 23% | 0.227 | C | C | . | . | trans | -139.1 | 146.3 | -172.8 | -71.5 | 173.9 | 0 | 0 | 0 | 111.3 | T40 L73 Y80 P97 Y104 I130 | T40-L99 WeakPolarHBondContact CA-O 3.17Å; T40-L99 PolarHBondContact O-N 3.11Å; T40-L99 VanDerWaalsContact O-N 3.08Å; T40-L99 VanDerWaalsContact O-O 3.1Å; L73-L99 HydrophobicContact CD2-CD1 4.12Å; Y80-L99 HydrophobicContact CD1-CD2 3.48Å; Y80-L99 VanDerWaalsContact CD1-CD2 3.48Å; Y80-L99 HydrophobicContact CD2-CD2 3.45Å; Y80-L99 VanDerWaalsContact CD2-CD2 3.45Å; Y80-L99 HydrophobicContact CE1-CD2 3.54Å; Y80-L99 HydrophobicContact CE2-CD2 3.54Å; Y80-L99 HydrophobicContact CG-CD2 3.41Å; Y80-L99 VanDerWaalsContact CG-CD2 3.41Å; P97-L99 HydrophobicContact CG-CD1 3.97Å; P97-L99 HydrophobicContact CG-CD2 4.32Å; P97-L99 HydrophobicContact CG-CG 4Å; P97-L99 WeakPolarHBondContact O-CG 3.39Å; P97-L99 PolarHBondContact O-N 2.86Å; L99-Y104 HydrophobicContact CB-CE2 4.41Å; L99-Y104 HydrophobicContact CD1-CD1 4.48Å; L99-Y104 HydrophobicContact CD1-CE1 4.39Å; L99-Y104 HydrophobicContact CD1-CE2 4.43Å; L99-Y104 HydrophobicContact CD2-CE1 4.17Å; L99-I130 HydrophobicContact CB-CD1 4.3Å; L99-I130 HydrophobicContact CB-CG1 3.87Å; L99-I130 HydrophobicContact CB-CG2 4.31Å; L99-I130 HydrophobicContact CD1-CD1 3.92Å; L99-I130 HydrophobicContact CD1-CG1 4.01Å | ||
| 100 | P | 83.7 | Confident | 88.8 | Confident | 68 Ų | 68 | 40.8 Ų | 40.8 | 44% | 0.442 | 22% | 0.224 | S | C | . | . | trans | -57.6 | 157.3 | 166.9 | -23.6 | 33 | 0 | 0 | 0 | 113 | G102 Y104 I130 | P100-G102 PolarHBondContact O-N 2.98Å; P100-Y104 WeakPolarHBondContact CD-OH 3.41Å; P100-Y104 PolarHBondContact O-OH 3.36Å; P100-I130 WeakPolarHBondContact O-CB 3.47Å; P100-I130 WeakPolarHBondContact O-CG2 3.35Å | ||
| 101 | E | 85.6 | Confident | 88.3 | Confident | 117 Ų | 117 | 38.1 Ų | 38.1 | 55% | 0.547 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -63.9 | 130.1 | 174.9 | -167.3 | 156.8 | -150.6 | 0 | 0 | 110.5 | T40 I130 S132 | T40-E101 HydrophobicContact CG2-CB 4.48Å; E101-I130 WeakPolarHBondContact CG-O 3.36Å; E101-S132 PolarHBondContact OE1-N 2.88Å; E101-S132 PolarHBondContact OE1-OG 3.27Å; E101-S132 VanDerWaalsContact OE1-OG 3.05Å; E101-S132 PolarHBondContact OE2-OG 3.13Å |
| 102 | G | 86.4 | Confident | 87.7 | Confident | 27 Ų | 27 | 38.2 Ų | 38.2 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 156.7 | 177.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P100 Y104 I130 | P100-G102 PolarHBondContact O-N 2.98Å; G102-Y104 WeakPolarHBondContact O-CD2 3.48Å; G102-I130 PolarHBondContact N-O 3.29Å; G102-I130 VanDerWaalsContact N-O 3.14Å; G102-I130 PolarHBondContact O-N 3.07Å |
| 103 | S | 89.1 | Confident | 87.2 | Confident | 75 Ų | 75 | 44.2 Ų | 44.2 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 128.4 | -179.5 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 104 | Y | 89 | Confident | 86.9 | Confident | 9 Ų | 9 | 46 Ų | 46 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 123.7 | -177.9 | -63.4 | -100.8 | 0 | 0 | 0 | 110.3 | L73 R74 Y80 L99 P100 G102 T127 L128 I130 | L73-Y104 HydrophobicContact CB-CD1 4.28Å; L73-Y104 HydrophobicContact CB-CG 4.5Å; R74-Y104 CarbonylContact O-C 3.57Å; R74-Y104 WeakPolarHBondContact O-CA 3.41Å; Y80-Y104 HydrophobicContact CD2-CD1 4.42Å; Y80-Y104 AromaticContact CD2-CE1 3.99Å; Y80-Y104 HydrophobicContact CD2-CE1 3.99Å; Y80-Y104 AromaticContact CE2-CE1 3.82Å; Y80-Y104 HydrophobicContact CE2-CE1 3.82Å; L99-Y104 HydrophobicContact CB-CE2 4.41Å; L99-Y104 HydrophobicContact CD1-CD1 4.48Å; L99-Y104 HydrophobicContact CD1-CE1 4.39Å; L99-Y104 HydrophobicContact CD1-CE2 4.43Å; L99-Y104 HydrophobicContact CD2-CE1 4.17Å; P100-Y104 WeakPolarHBondContact CD-OH 3.41Å; P100-Y104 PolarHBondContact O-OH 3.36Å; G102-Y104 WeakPolarHBondContact O-CD2 3.48Å; Y104-T127 CarbonylContact O-C 3.5Å; Y104-T127 WeakPolarHBondContact O-CA 3.41Å; Y104-L128 PolarHBondContact N-O 3.02Å; Y104-L128 PolarHBondContact O-N 3.29Å; Y104-I130 HydrophobicContact CD2-CG1 3.59Å; Y104-I130 HydrophobicContact CE2-CB 4.17Å; Y104-I130 HydrophobicContact CE2-CG1 3.48Å; Y104-I130 VanDerWaalsContact CE2-CG1 3.48Å |
| 105 | T | 89.9 | Confident | 86.6 | Confident | 48 Ų | 48 | 46.1 Ų | 46.1 | 29% | 0.294 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 124.1 | 171.7 | -53 | 0 | 0 | 0 | 0 | 110.1 | R74 A125 C126 | R74-T105 PolarHBondContact N-O 3.29Å; R74-T105 PolarHBondContact O-N 3.09Å; T105-A125 HydrophobicContact CG2-CB 4.34Å; T105-C126 CarbonylContact C-O 3.51Å; T105-C126 WeakPolarHBondContact CA-O 3.33Å |
| 106 | I | 90 | Very high | 86.3 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 135.1 | 176 | -61.7 | -174.2 | 0 | 0 | 0 | 109.7 | I33 I48 V71 F72 F94 I108 M120 C126 L128 | I33-I106 HydrophobicContact CD1-CD1 3.63Å; I33-I106 HydrophobicContact CD1-CG1 4.41Å; I33-I106 HydrophobicContact CG2-CD1 4.3Å; I48-I106 HydrophobicContact CD1-CG2 4.44Å; V71-I106 HydrophobicContact CG1-CG2 3.89Å; F72-I106 CarbonylContact O-C 3.58Å; F72-I106 WeakPolarHBondContact O-CA 3.22Å; F94-I106 HydrophobicContact CE1-CD1 4.19Å; F94-I106 HydrophobicContact CZ-CD1 3.97Å; I106-I108 HydrophobicContact CG2-CG1 4.17Å; I106-M120 WeakPolarHBondContact O-CE 3.48Å; I106-C126 HydrophobicContact CB-CB 4.18Å; I106-C126 PolarHBondContact N-O 2.89Å; I106-L128 HydrophobicContact CD1-CB 4.16Å; I106-L128 HydrophobicContact CG1-CB 4.33Å |
| 107 | R | 89.1 | Confident | 85.8 | Confident | 57 Ų | 57 | 49.9 Ų | 49.9 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142.1 | 171.5 | -70 | -64 | -166.2 | 150.5 | 1.5 | 109.4 | F72 L114 N117 | F72-R107 HydrophobicContact CB-CB 4.21Å; F72-R107 PolarHBondContact N-O 3.21Å; F72-R107 PolarHBondContact O-N 2.74Å; R107-L114 HydrophobicContact CB-CD2 4.12Å; R107-N117 PolarHBondContact NH1-OD1 3.15Å; R107-N117 PolarHBondContact NH2-ND2 3.18Å; R107-N117 PolarHBondContact NH2-OD1 3.22Å |
| 108 | I | 89 | Confident | 85.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 134.2 | -178.7 | -51.8 | -176.6 | 0 | 0 | 0 | 108.9 | V30 I48 F53 R70 V71 I92 I106 V110 L114 I115 M120 | V30-I108 HydrophobicContact CG2-CD1 3.46Å; V30-I108 VanDerWaalsContact CG2-CD1 3.46Å; V30-I108 HydrophobicContact CG2-CG1 4.39Å; I48-I108 HydrophobicContact CB-CD1 4.49Å; I48-I108 HydrophobicContact CD1-CD1 3.75Å; I48-I108 HydrophobicContact CD1-CG1 4.5Å; I48-I108 HydrophobicContact CG1-CD1 4.46Å; I48-I108 HydrophobicContact CG2-CD1 3.55Å; F53-I108 HydrophobicContact CE1-CD1 4.39Å; R70-I108 CarbonylContact O-C 3.57Å; R70-I108 VanDerWaalsContact O-CA 3.26Å; R70-I108 WeakPolarHBondContact O-CA 3.36Å; V71-I108 HydrophobicContact CG2-CD1 4.44Å; V71-I108 HydrophobicContact CG2-CG1 4.22Å; I92-I108 HydrophobicContact CD1-CG2 4.45Å; I106-I108 HydrophobicContact CG2-CG1 4.17Å; I108-V110 HydrophobicContact CG2-CG2 4.47Å; I108-L114 WeakPolarHBondContact O-CA 3.35Å; I108-I115 HydrophobicContact CB-CD1 3.97Å; I108-I115 HydrophobicContact CB-CG1 4.43Å; I108-I115 HydrophobicContact CG2-CD1 4.13Å; I108-I115 PolarHBondContact O-N 2.79Å; I108-M120 HydrophobicContact CG1-CE 4.3Å |
| 109 | S | 86.4 | Confident | 85.2 | Confident | 6 Ų | 6 | 52.8 Ų | 52.8 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 134.8 | 165.5 | 70.5 | 0 | 0 | 0 | 0 | 110.2 | N69 R70 I113 | N69-S109 CarbonylContact C-O 3.58Å; N69-S109 WeakPolarHBondContact CA-O 3.18Å; R70-S109 WeakPolarHBondContact CB-OG 3.47Å; R70-S109 PolarHBondContact N-O 2.93Å; R70-S109 PolarHBondContact O-N 3.18Å; S109-I113 CarbonylContact C-O 3.55Å; S109-I113 WeakPolarHBondContact CA-O 3.33Å |
| 110 | V | 85.9 | Confident | 85.1 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 123.5 | 170.9 | -176.8 | 0 | 0 | 0 | 0 | 107.5 | P28 F53 E54 I108 G112 I113 I115 | P28-V110 HydrophobicContact CB-CB 4.47Å; P28-V110 HydrophobicContact CB-CG2 3.88Å; P28-V110 HydrophobicContact CG-CB 4.38Å; P28-V110 HydrophobicContact CG-CG2 4.25Å; F53-V110 HydrophobicContact CD1-CG2 4.25Å; E54-V110 HydrophobicContact CB-CG1 4.17Å; I108-V110 HydrophobicContact CG2-CG2 4.47Å; V110-G112 PolarHBondContact O-N 2.95Å; V110-G112 VanDerWaalsContact O-N 3.08Å; V110-I113 PolarHBondContact N-O 2.98Å; V110-I113 PolarHBondContact O-N 2.88Å; V110-I115 HydrophobicContact CG2-CD1 4.4Å |
| 111 | S | 80.8 | Confident | 85.1 | Confident | 56 Ų | 56 | 50.3 Ų | 50.3 | 39% | 0.392 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 35.3 | -177.8 | -36.9 | 0 | 0 | 0 | 0 | 113.8 | E54 N66 G68 | E54-S111 PolarHBondContact OE2-OG 3.34Å; N66-S111 CarbonylContact O-C 3.58Å; N66-S111 WeakPolarHBondContact O-CA 2.96Å; G68-S111 PolarHBondContact O-N 3.18Å |
| 112 | G | 77.1 | Confident | 84.8 | Confident | 38 Ų | 38 | 50.6 Ų | 50.6 | 39% | 0.392 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -6.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | N66 V110 | N66-G112 PolarHBondContact O-N 2.82Å; V110-G112 PolarHBondContact O-N 2.95Å; V110-G112 VanDerWaalsContact O-N 3.08Å |
| 113 | I | 80.9 | Confident | 84.2 | Confident | 126 Ų | 126 | 51.6 Ų | 51.6 | 65% | 0.646 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.4 | 178.3 | -57.4 | 176.3 | 0 | 0 | 0 | 109.8 | S109 V110 | S109-I113 CarbonylContact C-O 3.55Å; S109-I113 WeakPolarHBondContact CA-O 3.33Å; V110-I113 PolarHBondContact N-O 2.98Å; V110-I113 PolarHBondContact O-N 2.88Å |
| 114 | L | 85.2 | Confident | 83.7 | Confident | 98 Ų | 98 | 56.7 Ų | 56.7 | 51% | 0.513 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 134.1 | 175.1 | -84.5 | 157.2 | 0 | 0 | 0 | 111.4 | R107 I108 P116 | R107-L114 HydrophobicContact CB-CD2 4.12Å; I108-L114 WeakPolarHBondContact O-CA 3.35Å; L114-P116 WeakPolarHBondContact O-CD 3.08Å |
| 115 | I | 85.7 | Confident | 83.2 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 125.7 | 171.8 | -58.9 | -178.7 | 0 | 0 | 0 | 108.9 | P28 V30 F53 I108 V110 R119 M120 | P28-I115 HydrophobicContact CB-CD1 3.93Å; P28-I115 HydrophobicContact CB-CG1 4.09Å; P28-I115 HydrophobicContact CG-CG1 4.15Å; V30-I115 HydrophobicContact CG2-CD1 4.04Å; F53-I115 HydrophobicContact CE1-CD1 4.18Å; I108-I115 HydrophobicContact CB-CD1 3.97Å; I108-I115 HydrophobicContact CB-CG1 4.43Å; I108-I115 HydrophobicContact CG2-CD1 4.13Å; I108-I115 PolarHBondContact O-N 2.79Å; V110-I115 HydrophobicContact CG2-CD1 4.4Å; I115-R119 HydrophobicContact CG2-CB 3.83Å; I115-M120 HydrophobicContact CB-CG 4.45Å; I115-M120 HydrophobicContact CB-SD 3.87Å; I115-M120 HydrophobicContact CD1-SD 4.5Å; I115-M120 HydrophobicContact CG2-CG 4.04Å; I115-M120 HydrophobicContact CG2-SD 3.77Å |
| 116 | P | 83.5 | Confident | 82.9 | Confident | 48 Ų | 48 | 57.3 Ų | 57.3 | 31% | 0.312 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 152.6 | 177.5 | -22.9 | 33 | 0 | 0 | 0 | 112.9 | L114 E118 R119 M120 | L114-P116 WeakPolarHBondContact O-CD 3.08Å; P116-E118 WeakPolarHBondContact CB-OE2 3.35Å; P116-E118 PolarHBondContact O-N 2.78Å; P116-R119 PolarHBondContact O-N 2.82Å; P116-M120 WeakPolarHBondContact O-CG 3.01Å; P116-M120 PolarHBondContact O-N 2.93Å |
| 117 | N | 79.6 | Confident | 82.9 | Confident | 81 Ų | 81 | 59.5 Ų | 59.5 | 43% | 0.433 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -56.6 | -37.5 | -177.6 | -89.8 | -21 | 0 | 0 | 0 | 113.2 | R107 R119 M120 | R107-N117 PolarHBondContact NH1-OD1 3.15Å; R107-N117 PolarHBondContact NH2-ND2 3.18Å; R107-N117 PolarHBondContact NH2-OD1 3.22Å; N117-R119 PolarHBondContact O-N 2.91Å; N117-R119 VanDerWaalsContact O-N 3.17Å; N117-M120 PolarHBondContact O-N 3.13Å; N117-M120 VanDerWaalsContact O-N 3.13Å |
| 118 | E | 80.5 | Confident | 83 | Confident | 139 Ų | 139 | 56.8 Ų | 56.8 | 65% | 0.65 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -67.8 | -18 | -175.8 | -48.7 | 71.8 | -145.7 | 0 | 0 | 111.5 | P116 | P116-E118 WeakPolarHBondContact CB-OE2 3.35Å; P116-E118 PolarHBondContact O-N 2.78Å |
| 119 | R | 85.6 | Confident | 83.2 | Confident | 92 Ų | 92 | 58.4 Ų | 58.4 | 35% | 0.347 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -107 | 3.9 | 179.4 | -53.6 | -174.3 | -159.5 | 173.8 | 2.6 | 113.3 | S26 A29 V30 I115 P116 N117 | S26-R119 WeakPolarHBondContact OG-CD 3.3Å; S26-R119 PolarHBondContact OG-NE 2.95Å; S26-R119 PolarHBondContact OG-NH1 2.81Å; A29-R119 HydrophobicContact CB-CB 4.05Å; V30-R119 PolarHBondContact N-O 2.93Å; I115-R119 HydrophobicContact CG2-CB 3.83Å; P116-R119 PolarHBondContact O-N 2.82Å; N117-R119 PolarHBondContact O-N 2.91Å; N117-R119 VanDerWaalsContact O-N 3.17Å |
| 120 | M | 84.4 | Confident | 83.5 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.02 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -94.6 | 126.6 | 173.8 | -68.8 | -69.7 | -69.6 | 0 | 0 | 108.9 | V30 I106 I108 I115 P116 N117 L122 G123 Y124 C126 | V30-M120 HydrophobicContact CB-SD 4.02Å; V30-M120 HydrophobicContact CG2-CE 4.2Å; V30-M120 HydrophobicContact CG2-SD 3.56Å; V30-M120 VanDerWaalsContact CG2-SD 3.56Å; I106-M120 WeakPolarHBondContact O-CE 3.48Å; I108-M120 HydrophobicContact CG1-CE 4.3Å; I115-M120 HydrophobicContact CB-CG 4.45Å; I115-M120 HydrophobicContact CB-SD 3.87Å; I115-M120 HydrophobicContact CD1-SD 4.5Å; I115-M120 HydrophobicContact CG2-CG 4.04Å; I115-M120 HydrophobicContact CG2-SD 3.77Å; P116-M120 WeakPolarHBondContact O-CG 3.01Å; P116-M120 PolarHBondContact O-N 2.93Å; N117-M120 PolarHBondContact O-N 3.13Å; N117-M120 VanDerWaalsContact O-N 3.13Å; M120-L122 VanDerWaalsContact C-N 3.3Å; M120-L122 PolarHBondContact O-N 2.65Å; M120-L122 VanDerWaalsContact O-N 3.13Å; M120-G123 WeakPolarHBondContact O-CA 3.4Å; M120-G123 PolarHBondContact O-N 2.92Å; M120-Y124 PolarHBondContact O-N 3.29Å; M120-C126 HydrophobicContact CE-CB 4.25Å |
| 121 | C | 84 | Confident | 83.7 | Confident | 18 Ų | 18 | 60.4 Ų | 60.4 | 12% | 0.122 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | 42.4 | 49.5 | 178 | -65.9 | 0 | 0 | 0 | 0 | 114.6 | V30 N31 G123 Y124 C126 | V30-C121 WeakPolarHBondContact O-CA 3.26Å; V30-C121 PolarHBondContact O-N 2.81Å; N31-C121 WeakPolarHBondContact O-CA 3.12Å; C121-G123 PolarHBondContact O-N 2.78Å; C121-Y124 PolarHBondContact O-N 2.79Å; C121-Y124 VanDerWaalsContact O-N 3.15Å; C121-C126 HydrophobicContact CB-CB 4.21Å; C121-C126 WeakPolarHBondContact CB-SG 3.48Å; C121-C126 PolarHBondContact N-SG 3Å; C121-C126 VanDerWaalsContact N-SG 3.36Å; C121-C126 WeakPolarHBondContact SG-CA 3.24Å; C121-C126 WeakPolarHBondContact SG-CB 3.3Å; C121-C126 CovalentContact SG-SG 2.03Å; C121-C126 PolarHBondContact SG-SG 3.09Å |
| 122 | L | 79 | Confident | 84.1 | Confident | 123 Ų | 123 | 60.8 Ų | 60.8 | 64% | 0.644 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | 57.5 | 30.5 | -178.1 | -53.5 | 172.4 | 0 | 0 | 0 | 114.4 | M120 | M120-L122 VanDerWaalsContact C-N 3.3Å; M120-L122 PolarHBondContact O-N 2.65Å; M120-L122 VanDerWaalsContact O-N 3.13Å |
| 123 | G | 74.3 | Confident | 84.8 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 49% | 0.485 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | 95.4 | -3.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | M120 C121 | M120-G123 WeakPolarHBondContact O-CA 3.4Å; M120-G123 PolarHBondContact O-N 2.92Å; C121-G123 PolarHBondContact O-N 2.78Å |
| 124 | Y | 78.2 | Confident | 85.3 | Confident | 183 Ų | 183 | 57.5 Ų | 57.5 | 72% | 0.718 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -92.8 | 156.5 | 174.7 | -62.9 | -81 | 0 | 0 | 0 | 111.9 | M120 C121 C126 | M120-Y124 PolarHBondContact O-N 3.29Å; C121-Y124 PolarHBondContact O-N 2.79Å; C121-Y124 VanDerWaalsContact O-N 3.15Å; Y124-C126 PolarHBondContact O-N 2.74Å; Y124-C126 VanDerWaalsContact O-N 3.13Å |
| 125 | A | 77.5 | Confident | 85.8 | Confident | 67 Ų | 67 | 53.1 Ų | 53.1 | 55% | 0.554 | 30% | 0.296 | S | S | * | . | trans | -68.2 | 111.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | T105 T127 | T105-A125 HydrophobicContact CG2-CB 4.34Å; A125-T127 PolarHBondContact O-N 3.31Å; A125-T127 PolarHBondContact O-OG1 2.83Å | ||
| 126 | C | 84.4 | Confident | 86.3 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.02 | 30% | 0.295 | C | S | . | . | trans | -61.4 | 101.2 | 170.9 | -61.6 | 0 | 0 | 0 | 0 | 109.4 | I33 T105 I106 M120 C121 Y124 | I33-C126 HydrophobicContact CD1-CB 4.35Å; I33-C126 HydrophobicContact CG2-CB 4.34Å; T105-C126 CarbonylContact C-O 3.51Å; T105-C126 WeakPolarHBondContact CA-O 3.33Å; I106-C126 HydrophobicContact CB-CB 4.18Å; I106-C126 PolarHBondContact N-O 2.89Å; M120-C126 HydrophobicContact CE-CB 4.25Å; C121-C126 HydrophobicContact CB-CB 4.21Å; C121-C126 WeakPolarHBondContact CB-SG 3.48Å; C121-C126 PolarHBondContact N-SG 3Å; C121-C126 VanDerWaalsContact N-SG 3.36Å; C121-C126 WeakPolarHBondContact SG-CA 3.24Å; C121-C126 WeakPolarHBondContact SG-CB 3.3Å; C121-C126 CovalentContact SG-SG 2.03Å; C121-C126 PolarHBondContact SG-SG 3.09Å; Y124-C126 PolarHBondContact O-N 2.74Å; Y124-C126 VanDerWaalsContact O-N 3.13Å | ||
| 127 | T | 89.3 | Confident | 86.9 | Confident | 46 Ų | 46 | 51.6 Ų | 51.6 | 28% | 0.282 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 124.1 | -171.9 | -54.4 | 0 | 0 | 0 | 0 | 110.5 | Y104 A125 | Y104-T127 CarbonylContact O-C 3.5Å; Y104-T127 WeakPolarHBondContact O-CA 3.41Å; A125-T127 PolarHBondContact O-N 3.31Å; A125-T127 PolarHBondContact O-OG1 2.83Å |
| 128 | L | 91.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.8 | 169.6 | -173.9 | 72.4 | 0 | 0 | 0 | 108.6 | A38 I46 L73 Y104 I106 I130 | A38-L128 HydrophobicContact CB-CD1 4.13Å; A38-L128 HydrophobicContact CB-CD2 4.13Å; A38-L128 HydrophobicContact CB-CG 4.29Å; I46-L128 HydrophobicContact CD1-CD1 3.79Å; I46-L128 HydrophobicContact CG1-CD1 4.17Å; I46-L128 HydrophobicContact CG1-CD2 4.28Å; L73-L128 HydrophobicContact CD2-CB 4.49Å; L73-L128 HydrophobicContact CD2-CD2 3.42Å; L73-L128 VanDerWaalsContact CD2-CD2 3.42Å; Y104-L128 PolarHBondContact N-O 3.02Å; Y104-L128 PolarHBondContact O-N 3.29Å; I106-L128 HydrophobicContact CD1-CB 4.16Å; I106-L128 HydrophobicContact CG1-CB 4.33Å; L128-I130 HydrophobicContact CD2-CD1 4.01Å; L128-I130 HydrophobicContact CG-CD1 4.28Å |
| 129 | T | 92.3 | Very high | 88.4 | Confident | 34 Ų | 34 | 44 Ų | 44 | 21% | 0.209 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 116.6 | 178.4 | -46.3 | 0 | 0 | 0 | 0 | 109.6 | T36 E37 A38 K131 | T36-T129 PolarHBondContact O-N 3.13Å; E37-T129 VanDerWaalsContact CA-O 3.24Å; E37-T129 WeakPolarHBondContact CA-O 3.31Å; A38-T129 PolarHBondContact N-O 3.05Å; T129-K131 HydrophobicContact CG2-CD 4.35Å; T129-K131 HydrophobicContact CG2-CG 3.89Å |
| 130 | I | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 126.6 | 173.3 | -52.5 | -55.4 | 0 | 0 | 0 | 107.6 | A38 T40 L99 P100 E101 G102 Y104 L128 | A38-I130 HydrophobicContact CB-CD1 3.79Å; A38-I130 WeakPolarHBondContact O-CA 3.3Å; T40-I130 HydrophobicContact CG2-CG2 3.69Å; L99-I130 HydrophobicContact CB-CD1 4.3Å; L99-I130 HydrophobicContact CB-CG1 3.87Å; L99-I130 HydrophobicContact CB-CG2 4.31Å; L99-I130 HydrophobicContact CD1-CD1 3.92Å; L99-I130 HydrophobicContact CD1-CG1 4.01Å; P100-I130 WeakPolarHBondContact O-CB 3.47Å; P100-I130 WeakPolarHBondContact O-CG2 3.35Å; E101-I130 WeakPolarHBondContact CG-O 3.36Å; G102-I130 PolarHBondContact N-O 3.29Å; G102-I130 VanDerWaalsContact N-O 3.14Å; G102-I130 PolarHBondContact O-N 3.07Å; Y104-I130 HydrophobicContact CD2-CG1 3.59Å; Y104-I130 HydrophobicContact CE2-CB 4.17Å; Y104-I130 HydrophobicContact CE2-CG1 3.48Å; Y104-I130 VanDerWaalsContact CE2-CG1 3.48Å; L128-I130 HydrophobicContact CD2-CD1 4.01Å; L128-I130 HydrophobicContact CG-CD1 4.28Å |
| 131 | K | 91 | Very high | 89.2 | Confident | 63 Ų | 63 | 45.3 Ų | 45.3 | 27% | 0.274 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 140.6 | -176.6 | -66.3 | -177.2 | 177.6 | 175.9 | 0 | 112.1 | E37 A38 T129 S133 V134 T135 | E37-K131 IonicContact OE1-NZ 3.83Å; E37-K131 PolarHBondContact OE1-NZ 2.98Å; A38-K131 PolarHBondContact O-N 3.33Å; T129-K131 HydrophobicContact CG2-CD 4.35Å; T129-K131 HydrophobicContact CG2-CG 3.89Å; K131-S133 VanDerWaalsContact C-N 3.31Å; K131-V134 HydrophobicContact CB-CG2 4.12Å; K131-V134 WeakPolarHBondContact O-CG2 3.5Å; K131-T135 PolarHBondContact O-OG1 3.34Å |
| 132 | S | 90.1 | Very high | 89.5 | Confident | 65 Ų | 65 | 47 Ų | 47 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -69.7 | -30.1 | 172.5 | 57.7 | 0 | 0 | 0 | 0 | 112.1 | E101 V134 T135 | E101-S132 PolarHBondContact OE1-N 2.88Å; E101-S132 PolarHBondContact OE1-OG 3.27Å; E101-S132 VanDerWaalsContact OE1-OG 3.05Å; E101-S132 PolarHBondContact OE2-OG 3.13Å; S132-V134 PolarHBondContact O-N 3.18Å; S132-T135 WeakPolarHBondContact O-CB 3.27Å; S132-T135 PolarHBondContact O-N 2.75Å |
| 133 | S | 90.8 | Very high | 90.1 | Very high | 82 Ų | 82 | 42.8 Ų | 42.8 | 57% | 0.573 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -65.5 | -20.4 | 178.6 | 64 | 0 | 0 | 0 | 0 | 115 | K131 | K131-S133 VanDerWaalsContact C-N 3.31Š|
| 134 | V | 91.9 | Very high | 90.8 | Very high | 12 Ų | 12 | 41.1 Ų | 41.1 | 7% | 0.073 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -104.9 | 10.6 | 173.9 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | A38 K131 S132 Y235 | A38-V134 WeakPolarHBondContact O-CG2 3.22Å; K131-V134 HydrophobicContact CB-CG2 4.12Å; K131-V134 WeakPolarHBondContact O-CG2 3.5Å; S132-V134 PolarHBondContact O-N 3.18Å; V134-Y235 HydrophobicContact CB-CD1 4.17Å; V134-Y235 WeakPolarHBondContact O-CA 3.49Å; V134-Y235 WeakPolarHBondContact O-CD1 3.31Å |
| 135 | T | 94.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | trans | -94.2 | 118.6 | 178.7 | -58 | 0 | 0 | 0 | 0 | 109.5 | S39 T40 E41 K131 S132 K239 | S39-T135 WeakPolarHBondContact CA-OG1 3.48Å; S39-T135 WeakPolarHBondContact OG-CG2 3.46Å; S39-T135 PolarHBondContact OG-OG1 2.78Å; T40-T135 PolarHBondContact N-OG1 3.34Å; T40-T135 WeakPolarHBondContact OG1-CG2 3.42Å; T40-T135 PolarHBondContact OG1-OG1 2.88Å; E41-T135 HydrophobicContact CG-CG2 4.16Å; K131-T135 PolarHBondContact O-OG1 3.34Å; S132-T135 WeakPolarHBondContact O-CB 3.27Å; S132-T135 PolarHBondContact O-N 2.75Å; T135-K239 HydrophobicContact CG2-CB 3.71Å | ||
| 136 | P | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -64.7 | 157.9 | 173.9 | 17.9 | -20.1 | 0 | 0 | 0 | 110.2 | T157 F159 F229 V231 Y235 G236 S238 K239 | P136-T157 CarbonylContact C-O 3.52Å; P136-T157 WeakPolarHBondContact CA-O 3.22Å; P136-T157 VanDerWaalsContact CB-O 3.28Å; P136-T157 WeakPolarHBondContact CB-O 3.42Å; P136-F159 HydrophobicContact CB-CD2 4.21Å; P136-F159 HydrophobicContact CB-CE2 4Å; P136-F229 HydrophobicContact CB-CE2 3.58Å; P136-F229 HydrophobicContact CB-CZ 3.8Å; P136-F229 HydrophobicContact CG-CE2 4.25Å; P136-V231 HydrophobicContact CB-CG2 4.37Å; P136-V231 HydrophobicContact CG-CG2 4.24Å; P136-Y235 WeakPolarHBondContact CD-O 3.49Å; P136-G236 WeakPolarHBondContact CG-O 3.3Å; P136-S238 CarbonylContact O-C 3.57Å; P136-S238 VanDerWaalsContact O-CA 3.26Å; P136-S238 WeakPolarHBondContact O-CA 3.35Å; P136-K239 PolarHBondContact O-N 2.82Å | ||
| 137 | T | 96.5 | Very high | 92.2 | Very high | 19 Ų | 19 | 30.8 Ų | 30.8 | 12% | 0.117 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 148.5 | -176.8 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | G156 T157 K239 | T137-G156 WeakPolarHBondContact O-CA 3.32Å; T137-T157 PolarHBondContact N-O 3.36Å; T137-T157 PolarHBondContact O-N 2.9Å; T137-T157 WeakPolarHBondContact OG1-CB 3.12Å; T137-T157 PolarHBondContact OG1-N 3.38Å; T137-T157 PolarHBondContact OG1-OG1 3.24Å; T137-K239 CarbonylContact C-O 3.53Å; T137-K239 WeakPolarHBondContact CA-O 2.96Å; T137-K239 WeakPolarHBondContact CB-O 3.38Å; T137-K239 HydrophobicContact CG2-CB 4.5Å |
| 138 | I | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 113.3 | 163.5 | -62.6 | 171.2 | 0 | 0 | 0 | 106.5 | V141 I227 F229 K239 T240 L241 V244 | I138-V141 HydrophobicContact CG2-CG2 3.74Å; I138-I227 VanDerWaalsContact CD1-O 3.25Å; I138-I227 WeakPolarHBondContact CD1-O 3.41Å; I138-F229 HydrophobicContact CD1-CD1 4.08Å; I138-F229 HydrophobicContact CD1-CE1 4.23Å; I138-F229 HydrophobicContact CG1-CD1 3.95Å; I138-F229 HydrophobicContact CG1-CE1 3.59Å; I138-K239 PolarHBondContact N-O 3.3Å; I138-T240 HydrophobicContact CB-CG2 4.36Å; I138-L241 PolarHBondContact O-N 2.98Å; I138-V244 HydrophobicContact CG2-CG1 4.19Å; I138-V244 HydrophobicContact CG2-CG2 4.38Å; I138-V244 WeakPolarHBondContact O-CG2 3.49Å |
| 139 | E | 95.2 | Very high | 92 | Very high | 61 Ų | 61 | 29.8 Ų | 29.8 | 29% | 0.285 | 18% | 0.177 | S | C | . | . | trans | -101.7 | -25.2 | -179.9 | -55.4 | -172.8 | 162.6 | 0 | 0 | 112.1 | N155 K210 L241 V244 | E139-N155 WeakPolarHBondContact CA-O 3.33Å; E139-N155 PolarHBondContact N-O 3.42Å; E139-K210 VanDerWaalsContact CD-NZ 3.26Å; E139-K210 IonicContact OE1-NZ 3.03Å; E139-K210 PolarHBondContact OE1-NZ 2.78Å; E139-K210 IonicContact OE2-NZ 3.54Å; E139-K210 PolarHBondContact OE2-NZ 2.8Å; E139-L241 HydrophobicContact CB-CD1 3.94Å; E139-L241 HydrophobicContact CG-CD1 3.6Å; E139-L241 HydrophobicContact CG-CG 4.14Å; E139-V244 WeakPolarHBondContact O-CG2 3.41Å | ||
| 140 | K | 92.8 | Very high | 91.9 | Very high | 116 Ų | 116 | 29.6 Ų | 29.6 | 50% | 0.504 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 142.9 | 175.5 | -174.5 | 179.7 | 179.1 | -174.1 | 0 | 111.1 | L154 N155 | K140-L154 WeakPolarHBondContact O-CA 2.98Å; K140-N155 HydrophobicContact CB-CB 4.23Å; K140-N155 PolarHBondContact N-O 2.98Å; K140-N155 VanDerWaalsContact N-O 3.09Å; K140-N155 PolarHBondContact O-N 3.22Å |
| 141 | V | 92.9 | Very high | 91.9 | Very high | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.1 | 166.5 | 180 | 0 | 0 | 0 | 0 | 108.3 | I138 G153 L154 I227 V244 M255 H256 | I138-V141 HydrophobicContact CG2-CG2 3.74Å; V141-G153 CarbonylContact C-O 3.52Å; V141-G153 WeakPolarHBondContact CA-O 3.45Å; V141-L154 HydrophobicContact CB-CD2 4.39Å; V141-L154 HydrophobicContact CG1-CD2 4.1Å; V141-L154 HydrophobicContact CG2-CD2 3.7Å; V141-I227 HydrophobicContact CG1-CD1 4.32Å; V141-V244 HydrophobicContact CB-CG1 4.39Å; V141-V244 HydrophobicContact CG2-CG1 3.74Å; V141-M255 HydrophobicContact CG2-CB 4.17Å; V141-H256 HydrophobicContact CG1-CB 4.36Å |
| 142 | S | 91.2 | Very high | 92 | Very high | 54 Ų | 54 | 30 Ų | 30 | 38% | 0.378 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 129.3 | -177.9 | -165.9 | 0 | 0 | 0 | 0 | 111.3 | G153 | S142-G153 PolarHBondContact N-O 3.48Å; S142-G153 PolarHBondContact O-N 2.83Å |
| 143 | P | 90.5 | Very high | 92.2 | Very high | 33 Ų | 33 | 27.3 Ų | 27.3 | 21% | 0.214 | 17% | 0.165 | C | C | . | . | cis | -66 | 156.9 | -9.9 | 30.1 | -36.6 | 0 | 0 | 0 | 112.1 | A146 H256 E368 | P143-A146 HydrophobicContact CG-CB 3.78Å; P143-H256 PolarHBondContact O-ND1 2.92Å; P143-E368 VanDerWaalsContact CB-OE1 3.24Å; P143-E368 WeakPolarHBondContact CB-OE1 3.41Å | ||
| 144 | V | 90.3 | Very high | 92.5 | Very high | 12 Ų | 12 | 23.4 Ų | 23.4 | 7% | 0.073 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -79.3 | -31.6 | 173.9 | 177.3 | 0 | 0 | 0 | 0 | 109.7 | R246 F254 H256 Q257 E368 | V144-R246 HydrophobicContact CG1-CG 4.15Å; V144-F254 HydrophobicContact CG1-CE2 4.01Å; V144-H256 CarbonylContact O-C 3.56Å; V144-H256 VanDerWaalsContact O-CA 3.27Å; V144-H256 WeakPolarHBondContact O-CA 3.02Å; V144-H256 PolarHBondContact O-ND1 2.57Å; V144-H256 VanDerWaalsContact O-ND1 3.17Å; V144-Q257 PolarHBondContact O-N 3.11Å; V144-E368 PolarHBondContact N-OE1 3.43Å |
| 145 | Y | 90.5 | Very high | 92.6 | Very high | 3 Ų | 3 | 26.1 Ų | 26.1 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | -123.4 | 123 | 179.5 | -50.4 | -84.6 | 0 | 0 | 0 | 109.6 | F254 Q257 E368 S992 G993 | Y145-F254 AromaticContact CE1-CE2 3.99Å; Y145-F254 HydrophobicContact CE1-CE2 3.99Å; Y145-F254 AromaticContact CE1-CZ 3.77Å; Y145-F254 HydrophobicContact CE1-CZ 3.77Å; Y145-Q257 WeakPolarHBondContact CA-O 3.43Å; Y145-Q257 HydrophobicContact CD1-CB 3.84Å; Y145-Q257 HydrophobicContact CD1-CG 4.38Å; Y145-Q257 HydrophobicContact CE1-CB 4.14Å; Y145-E368 HydrophobicContact CD2-CB 4.35Å; Y145-E368 HydrophobicContact CD2-CG 3.89Å; Y145-E368 PolarHBondContact N-OE1 2.71Å; Y145-S992 WeakPolarHBondContact OH-CA 3.3Å; Y145-G993 PolarHBondContact OH-N 3.09Å |
| 146 | A | 89.5 | Confident | 92.6 | Very high | 5 Ų | 5 | 26 Ų | 26 | 4% | 0.041 | 15% | 0.151 | C | C | . | . | trans | -156.4 | 155.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | P143 S150 Q257 S258 | P143-A146 HydrophobicContact CG-CB 3.78Å; A146-S150 WeakPolarHBondContact CB-OG 3.46Å; A146-Q257 PolarHBondContact N-O 2.84Å; A146-S258 VanDerWaalsContact O-CA 3.3Å; A146-S258 WeakPolarHBondContact O-CA 3.46Å | ||
| 147 | P | 89.9 | Confident | 92.6 | Very high | 29 Ų | 29 | 27.1 Ų | 27.1 | 19% | 0.188 | 16% | 0.158 | C | C | . | . | trans | -61.9 | 156.4 | 173.7 | 25.5 | -32.3 | 0 | 0 | 0 | 111.4 | S150 V261 Y284 | P147-S150 WeakPolarHBondContact CD-OG 3.15Å; P147-S150 WeakPolarHBondContact CG-OG 3.42Å; P147-S150 VanDerWaalsContact O-CB 3.23Å; P147-S150 WeakPolarHBondContact O-CB 3.46Å; P147-S150 PolarHBondContact O-N 3.41Å; P147-S150 PolarHBondContact O-OG 2.94Å; P147-V261 HydrophobicContact CB-CG2 3.96Å; P147-V261 HydrophobicContact CG-CG2 4.38Å; P147-Y284 HydrophobicContact CB-CD2 4.27Å; P147-Y284 HydrophobicContact CB-CE2 3.99Å | ||
| 148 | P | 88.2 | Confident | 92.3 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.013 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | 149.3 | 171.6 | -20.9 | 29 | 0 | 0 | 0 | 111.8 | S150 V219 Y259 Y284 | P148-S150 PolarHBondContact O-N 2.76Å; P148-V219 VanDerWaalsContact CB-O 3.3Å; P148-V219 WeakPolarHBondContact CB-O 3.27Å; P148-Y259 WeakPolarHBondContact CD-O 3.45Å; P148-Y284 HydrophobicContact CB-CD1 3.74Å; P148-Y284 HydrophobicContact CB-CE1 3.66Å; P148-Y284 HydrophobicContact CB-CE2 4.43Å; P148-Y284 HydrophobicContact CB-CG 4.18Å; P148-Y284 HydrophobicContact CG-CD1 3.69Å; P148-Y284 HydrophobicContact CG-CD2 4.05Å; P148-Y284 HydrophobicContact CG-CE1 4.1Å; P148-Y284 HydrophobicContact CG-CE2 4.42Å; P148-Y284 HydrophobicContact CG-CG 3.67Å; P148-Y284 VanDerWaalsContact O-CZ 3.22Å; P148-Y284 PolarHBondContact O-OH 2.88Å |
| 149 | G | 88.4 | Confident | 92 | Very high | 23 Ų | 23 | 26.6 Ų | 26.6 | 24% | 0.237 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | -4.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | K216 R217 | G149-K216 VanDerWaalsContact O-CE 3.22Å; G149-K216 WeakPolarHBondContact O-CE 3.11Å; G149-K216 WeakPolarHBondContact O-CG 3.42Å; G149-R217 WeakPolarHBondContact CA-O 2.9Å |
| 150 | S | 90.6 | Very high | 91.6 | Very high | 30 Ų | 30 | 23.7 Ų | 23.7 | 21% | 0.21 | 14% | 0.141 | C | C | . | . | trans | -68.5 | 159.2 | 176.6 | -63.3 | 0 | 0 | 0 | 0 | 113.3 | A146 P147 P148 R217 | A146-S150 WeakPolarHBondContact CB-OG 3.46Å; P147-S150 WeakPolarHBondContact CD-OG 3.15Å; P147-S150 WeakPolarHBondContact CG-OG 3.42Å; P147-S150 VanDerWaalsContact O-CB 3.23Å; P147-S150 WeakPolarHBondContact O-CB 3.46Å; P147-S150 PolarHBondContact O-N 3.41Å; P147-S150 PolarHBondContact O-OG 2.94Å; P148-S150 PolarHBondContact O-N 2.76Å; S150-R217 WeakPolarHBondContact O-CG 3.42Å; S150-R217 PolarHBondContact O-N 2.61Å | ||
| 151 | I | 92.7 | Very high | 91.1 | Very high | 70 Ų | 70 | 19.9 Ų | 19.9 | 36% | 0.359 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.4 | 171.3 | -59.2 | 161.8 | 0 | 0 | 0 | 108.8 | Y199 M214 C215 K216 | I151-Y199 HydrophobicContact CD1-CD1 3.38Å; I151-Y199 HydrophobicContact CD1-CE1 3.49Å; I151-Y199 VanDerWaalsContact CD1-CE1 3.49Å; I151-Y199 HydrophobicContact CD1-CG 4.2Å; I151-Y199 HydrophobicContact CG1-CD1 4Å; I151-Y199 HydrophobicContact CG1-CE1 4.02Å; I151-Y199 HydrophobicContact CG1-CG 4.42Å; I151-Y199 HydrophobicContact CG2-CG 4.44Å; I151-M214 HydrophobicContact CG2-CB 4.17Å; I151-M214 HydrophobicContact CG2-CE 3.93Å; I151-C215 WeakPolarHBondContact CA-O 3.1Å; I151-K216 HydrophobicContact CG1-CB 4.26Å |
| 152 | I | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 146 | 175.7 | 56.3 | 166.1 | 0 | 0 | 0 | 110.5 | L154 M214 C215 R217 I227 H256 | I152-L154 HydrophobicContact CD1-CD2 4.38Å; I152-M214 CarbonylContact O-C 3.53Å; I152-M214 VanDerWaalsContact O-CA 3.27Å; I152-M214 WeakPolarHBondContact O-CA 3.36Å; I152-C215 PolarHBondContact N-O 2.76Å; I152-C215 PolarHBondContact O-N 3.45Å; I152-R217 HydrophobicContact CD1-CG 3.98Å; I152-R217 HydrophobicContact CG1-CG 3.97Å; I152-R217 HydrophobicContact CG2-CG 4.33Å; I152-I227 HydrophobicContact CD1-CD1 3.25Å; I152-H256 VanDerWaalsContact CG2-CE1 3.5Å; I152-H256 WeakPolarHBondContact CG2-CE1 3.32Å |
| 153 | G | 94.2 | Very high | 90.2 | Very high | 10 Ų | 10 | 21.8 Ų | 21.8 | 10% | 0.103 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 130.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | V141 S142 I213 | V141-G153 CarbonylContact C-O 3.52Å; V141-G153 WeakPolarHBondContact CA-O 3.45Å; S142-G153 PolarHBondContact N-O 3.48Å; S142-G153 PolarHBondContact O-N 2.83Å; G153-I213 CarbonylContact C-O 3.52Å; G153-I213 WeakPolarHBondContact CA-O 3.4Å |
| 154 | L | 95.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 117.1 | 174.1 | -47.7 | 177.5 | 0 | 0 | 0 | 108.1 | K140 V141 I152 I181 Y212 I213 I227 F229 | K140-L154 WeakPolarHBondContact O-CA 2.98Å; V141-L154 HydrophobicContact CB-CD2 4.39Å; V141-L154 HydrophobicContact CG1-CD2 4.1Å; V141-L154 HydrophobicContact CG2-CD2 3.7Å; I152-L154 HydrophobicContact CD1-CD2 4.38Å; L154-I181 HydrophobicContact CD1-CG2 3.92Å; L154-Y212 CarbonylContact O-C 3.47Å; L154-Y212 WeakPolarHBondContact O-CA 3.24Å; L154-I213 HydrophobicContact CB-CB 4.36Å; L154-I213 PolarHBondContact N-O 3.37Å; L154-I213 PolarHBondContact O-N 3.06Å; L154-I227 HydrophobicContact CD1-CG2 3.79Å; L154-I227 HydrophobicContact CD2-CD1 4.31Å; L154-I227 HydrophobicContact CD2-CG2 3.9Å; L154-F229 HydrophobicContact CD1-CD1 4.34Å |
| 155 | N | 95.2 | Very high | 88.1 | Confident | 69 Ų | 69 | 26.8 Ų | 26.8 | 37% | 0.369 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 142 | 175.3 | -63.2 | 3.4 | 0 | 0 | 0 | 109.9 | E139 K140 G211 Y212 | E139-N155 WeakPolarHBondContact CA-O 3.33Å; E139-N155 PolarHBondContact N-O 3.42Å; K140-N155 HydrophobicContact CB-CB 4.23Å; K140-N155 PolarHBondContact N-O 2.98Å; K140-N155 VanDerWaalsContact N-O 3.09Å; K140-N155 PolarHBondContact O-N 3.22Å; N155-G211 WeakPolarHBondContact CA-O 3.45Å; N155-Y212 VanDerWaalsContact OD1-CB 3.26Å; N155-Y212 WeakPolarHBondContact OD1-CB 3.16Å |
| 156 | G | 95.1 | Very high | 86.3 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.1 | -154.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T137 I158 K210 G211 | T137-G156 WeakPolarHBondContact O-CA 3.32Å; G156-I158 PolarHBondContact O-N 2.93Å; G156-K210 CarbonylContact O-C 3.59Å; G156-K210 VanDerWaalsContact O-CA 3.3Å; G156-K210 WeakPolarHBondContact O-CA 3.19Å; G156-G211 PolarHBondContact N-O 2.69Å; G156-G211 PolarHBondContact O-N 2.88Å |
| 157 | T | 94.9 | Very high | 84.6 | Confident | 24 Ų | 24 | 32.6 Ų | 32.6 | 15% | 0.147 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 109 | 175.2 | -54.1 | 0 | 0 | 0 | 0 | 109.3 | P136 T137 F159 D209 | P136-T157 CarbonylContact C-O 3.52Å; P136-T157 WeakPolarHBondContact CA-O 3.22Å; P136-T157 VanDerWaalsContact CB-O 3.28Å; P136-T157 WeakPolarHBondContact CB-O 3.42Å; T137-T157 PolarHBondContact N-O 3.36Å; T137-T157 PolarHBondContact O-N 2.9Å; T137-T157 WeakPolarHBondContact OG1-CB 3.12Å; T137-T157 PolarHBondContact OG1-N 3.38Å; T137-T157 PolarHBondContact OG1-OG1 3.24Å; T157-F159 HydrophobicContact CG2-CD1 4.2Å; T157-F159 HydrophobicContact CG2-CD2 4.15Å; T157-F159 HydrophobicContact CG2-CE1 3.7Å; T157-F159 HydrophobicContact CG2-CE2 3.66Å; T157-F159 HydrophobicContact CG2-CG 4.41Å; T157-F159 HydrophobicContact CG2-CZ 3.41Å; T157-F159 VanDerWaalsContact CG2-CZ 3.41Å; T157-D209 CarbonylContact C-O 3.46Å; T157-D209 WeakPolarHBondContact CA-O 3.46Å; T157-D209 HydrophobicContact CG2-CB 4.01Å |
| 158 | I | 91.2 | Very high | 82.7 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | trans | -115.3 | -22.2 | -174 | -62.9 | 150.3 | 0 | 0 | 0 | 111.6 | G156 T160 I178 D209 G211 Y212 I213 F229 | G156-I158 PolarHBondContact O-N 2.93Å; I158-T160 VanDerWaalsContact CG2-O 3.24Å; I158-T160 WeakPolarHBondContact CG2-O 3.49Å; I158-T160 PolarHBondContact O-N 2.76Å; I158-I178 HydrophobicContact CG2-CD1 3.81Å; I158-I178 HydrophobicContact CG2-CG1 4.24Å; I158-D209 PolarHBondContact N-O 2.99Å; I158-G211 WeakPolarHBondContact CD1-O 3.33Å; I158-Y212 VanDerWaalsContact CD1-CA 3.48Å; I158-I213 HydrophobicContact CD1-CD1 4.2Å; I158-I213 HydrophobicContact CD1-CG1 3.78Å; I158-I213 HydrophobicContact CG1-CD1 4.05Å; I158-I213 HydrophobicContact CG1-CG1 4.17Å; I158-I213 HydrophobicContact CG2-CD1 3.86Å; I158-I213 HydrophobicContact CG2-CG1 4.05Å; I158-F229 HydrophobicContact CB-CZ 4.44Å; I158-F229 HydrophobicContact CG1-CE1 4.44Å; I158-F229 HydrophobicContact CG1-CE2 4.28Å; I158-F229 HydrophobicContact CG1-CZ 3.76Å; I158-F229 HydrophobicContact CG2-CE2 4.33Å | ||
| 159 | F | 89.5 | Confident | 81 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | trans | 66.5 | -28.4 | -179.7 | -55.2 | -79 | 0 | 0 | 0 | 116.4 | P136 T157 R174 D209 Y235 | P136-F159 HydrophobicContact CB-CD2 4.21Å; P136-F159 HydrophobicContact CB-CE2 4Å; T157-F159 HydrophobicContact CG2-CD1 4.2Å; T157-F159 HydrophobicContact CG2-CD2 4.15Å; T157-F159 HydrophobicContact CG2-CE1 3.7Å; T157-F159 HydrophobicContact CG2-CE2 3.66Å; T157-F159 HydrophobicContact CG2-CG 4.41Å; T157-F159 HydrophobicContact CG2-CZ 3.41Å; T157-F159 VanDerWaalsContact CG2-CZ 3.41Å; F159-R174 HydrophobicContact CB-CG 4Å; F159-R174 WeakPolarHBondContact O-CB 3.43Å; F159-R174 VanDerWaalsContact O-CG 3.22Å; F159-R174 WeakPolarHBondContact O-CG 3.28Å; F159-R174 PolarHBondContact O-N 2.89Å; F159-D209 HydrophobicContact CD1-CB 3.63Å; F159-D209 HydrophobicContact CE1-CB 3.87Å; F159-D209 HydrophobicContact CG-CB 4.5Å; F159-D209 PolarHBondContact N-O 2.79Å; F159-Y235 HydrophobicContact CB-CD1 4.45Å; F159-Y235 HydrophobicContact CB-CD2 4.44Å; F159-Y235 HydrophobicContact CB-CE1 4.12Å; F159-Y235 HydrophobicContact CB-CE2 4.1Å; F159-Y235 AromaticContact CD1-CD1 3.97Å; F159-Y235 HydrophobicContact CD1-CD1 3.97Å; F159-Y235 AromaticContact CD1-CE1 3.38Å; F159-Y235 HydrophobicContact CD1-CE1 3.38Å; F159-Y235 AromaticContact CD1-CZ 3.85Å; F159-Y235 AromaticContact CD2-CD1 3.35Å; F159-Y235 HydrophobicContact CD2-CD1 3.35Å; F159-Y235 HydrophobicContact CD2-CD2 4.4Å; F159-Y235 AromaticContact CD2-CE1 3.67Å; F159-Y235 HydrophobicContact CD2-CE1 3.67Å; F159-Y235 AromaticContact CD2-CG 3.77Å; F159-Y235 HydrophobicContact CD2-CG 3.77Å; F159-Y235 AromaticContact CE1-CD1 3.98Å; F159-Y235 HydrophobicContact CE1-CD1 3.98Å; F159-Y235 AromaticContact CE1-CE1 3.54Å; F159-Y235 HydrophobicContact CE1-CE1 3.54Å; F159-Y235 AromaticContact CE2-CD1 3.32Å; F159-Y235 HydrophobicContact CE2-CD1 3.32Å; F159-Y235 AromaticContact CE2-CE1 3.78Å; F159-Y235 HydrophobicContact CE2-CE1 3.78Å; F159-Y235 HydrophobicContact CE2-CG 4.08Å; F159-Y235 AromaticContact CG-CD1 3.67Å; F159-Y235 HydrophobicContact CG-CD1 3.67Å; F159-Y235 HydrophobicContact CG-CD2 4.48Å; F159-Y235 AromaticContact CG-CE1 3.45Å; F159-Y235 HydrophobicContact CG-CE1 3.45Å; F159-Y235 VanDerWaalsContact CG-CE1 3.45Å; F159-Y235 HydrophobicContact CG-CE2 4.29Å; F159-Y235 HydrophobicContact CG-CG 4.2Å; F159-Y235 AromaticContact CG-CZ 3.79Å; F159-Y235 AromaticContact CZ-CD1 3.67Å; F159-Y235 HydrophobicContact CZ-CD1 3.67Å; F159-Y235 AromaticContact CZ-CE1 3.73Å; F159-Y235 HydrophobicContact CZ-CE1 3.73Å | ||
| 160 | T | 86.8 | Confident | 79.3 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -140.5 | 150.6 | -172.8 | -176.2 | 0 | 0 | 0 | 0 | 111.7 | I158 R162 R174 Q176 I178 V231 | I158-T160 VanDerWaalsContact CG2-O 3.24Å; I158-T160 WeakPolarHBondContact CG2-O 3.49Å; I158-T160 PolarHBondContact O-N 2.76Å; T160-R162 WeakPolarHBondContact OG1-CB 3.38Å; T160-R162 PolarHBondContact OG1-N 3.25Å; T160-R174 PolarHBondContact OG1-O 3.26Å; T160-Q176 WeakPolarHBondContact CB-O 3.1Å; T160-Q176 VanDerWaalsContact CG2-O 3.28Å; T160-Q176 WeakPolarHBondContact CG2-O 3.32Å; T160-Q176 PolarHBondContact OG1-O 3.39Å; T160-I178 HydrophobicContact CG2-CD1 4.43Å; T160-I178 HydrophobicContact CG2-CG1 3.9Å; T160-V231 HydrophobicContact CG2-CG1 3.98Å |
| 161 | S | 83.5 | Confident | 77.4 | Confident | 35 Ų | 35 | 55 Ų | 55 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -99.5 | 6.7 | 166.9 | 62 | 0 | 0 | 0 | 0 | 113.1 | V172 | S161-V172 PolarHBondContact OG-O 3.3Š|
| 162 | R | 81.8 | Confident | 76 | Confident | 83 Ų | 83 | 53.6 Ų | 53.6 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | trans | -90.5 | 133.7 | -178.7 | -172.8 | 179.5 | 178.9 | -167.4 | 6.5 | 110.6 | T160 S175 S177 I178 | T160-R162 WeakPolarHBondContact OG1-CB 3.38Å; T160-R162 PolarHBondContact OG1-N 3.25Å; R162-S175 PolarHBondContact NH1-O 2.72Å; R162-S177 WeakPolarHBondContact CD-OG 3.37Å; R162-S177 PolarHBondContact NE-OG 3.47Å; R162-S177 VanDerWaalsContact NE-OG 3.16Å; R162-S177 CarbonylContact O-C 3.44Å; R162-S177 WeakPolarHBondContact O-CA 3.01Å; R162-I178 PolarHBondContact O-N 3.46Å | ||
| 163 | F | 83.5 | Confident | 74.8 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 8% | 0.083 | 31% | 0.314 | C | S | . | . | B | Isolated β-bridge | trans | -123.5 | 129.4 | 172 | 176.6 | -95.5 | 0 | 0 | 0 | 108.9 | N166 I178 I181 P190 Q191 Y198 I201 | F163-N166 PolarHBondContact O-OD1 3.43Å; F163-N166 VanDerWaalsContact O-OD1 3.06Å; F163-I178 HydrophobicContact CD2-CB 3.87Å; F163-I178 HydrophobicContact CD2-CG2 3.72Å; F163-I178 WeakPolarHBondContact CD2-O 3.47Å; F163-I178 HydrophobicContact CE2-CG2 4.17Å; F163-I181 HydrophobicContact CD2-CD1 4.37Å; F163-I181 HydrophobicContact CE2-CD1 4.07Å; F163-I181 HydrophobicContact CE2-CG1 4.33Å; F163-P190 HydrophobicContact CB-CG 4.43Å; F163-P190 HydrophobicContact CD1-CG 3.57Å; F163-P190 HydrophobicContact CD2-CG 3.52Å; F163-P190 HydrophobicContact CE1-CG 3.49Å; F163-P190 VanDerWaalsContact CE1-CG 3.49Å; F163-P190 HydrophobicContact CE2-CG 3.48Å; F163-P190 VanDerWaalsContact CE2-CG 3.48Å; F163-P190 HydrophobicContact CG-CG 3.57Å; F163-P190 HydrophobicContact CZ-CG 3.45Å; F163-P190 VanDerWaalsContact CZ-CG 3.45Å; F163-Q191 HydrophobicContact CD1-CG 4.34Å; F163-Y198 HydrophobicContact CB-CE1 3.77Å; F163-Y198 HydrophobicContact CD1-CE1 4Å; F163-Y198 HydrophobicContact CG-CE1 4.26Å; F163-Y198 PolarHBondContact O-OH 3.23Å; F163-I201 HydrophobicContact CB-CD1 3.63Å; F163-I201 HydrophobicContact CG-CD1 4.37Å |
| 164 | S | 71.8 | Confident | 74.2 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 55.3 | -177.3 | -175.9 | -162 | 0 | 0 | 0 | 0 | 114.7 | S177 I178 | S164-S177 PolarHBondContact O-OG 3.3Å; S164-I178 PolarHBondContact N-O 3.4Å |
| 165 | S | 64.1 | Low | 73.4 | Confident | 97 Ų | 97 | 63.5 Ų | 63.5 | 68% | 0.678 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -90.3 | 13.2 | -174.2 | 62.6 | 0 | 0 | 0 | 0 | 114.7 | ||
| 166 | N | 53.3 | Low | 72.9 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | trans | -93.2 | 1.8 | -165.7 | 66.8 | -41.9 | 0 | 0 | 0 | 116.5 | F163 Q191 Y198 | F163-N166 PolarHBondContact O-OD1 3.43Å; F163-N166 VanDerWaalsContact O-OD1 3.06Å; N166-Q191 PolarHBondContact ND2-NE2 2.84Å; N166-Q191 PolarHBondContact OD1-NE2 2.93Å; N166-Y198 PolarHBondContact OD1-OH 2.96Å | ||
| 167 | L | 54.2 | Low | 72.6 | Confident | 71 Ų | 71 | 62.7 Ų | 62.7 | 37% | 0.372 | 35% | 0.349 | S | S | . | . | trans | -113.4 | 120.4 | 174.4 | -68.1 | 175.1 | 0 | 0 | 0 | 111.5 | Y198 | L167-Y198 HydrophobicContact CD1-CE2 3.84Š| ||
| 168 | D | 50.2 | Low | 72.3 | Confident | 168 Ų | 168 | 61.5 Ų | 61.5 | 90% | 0.898 | 34% | 0.342 | S | S | * | . | trans | -84 | -11.1 | 179.1 | -87.6 | -18.3 | 0 | 0 | 0 | 114.2 | ||||
| 169 | V | 52.2 | Low | 72.2 | Confident | 133 Ų | 133 | 65.5 Ų | 65.5 | 81% | 0.806 | 36% | 0.363 | S | S | * | . | trans | -131.3 | 118.3 | -173 | -169.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 170 | F | 51.1 | Low | 72.3 | Confident | 128 Ų | 128 | 70.3 Ų | 70.3 | 56% | 0.561 | 38% | 0.381 | S | S | * | . | trans | -98.6 | 144.8 | -171.1 | 170.9 | -89.1 | 0 | 0 | 0 | 112.5 | G173 | F170-G173 WeakPolarHBondContact CZ-O 3.29Š| ||
| 171 | T | 52.7 | Low | 72.6 | Confident | 126 Ų | 126 | 70.3 Ų | 70.3 | 77% | 0.773 | 38% | 0.381 | S | S | * | . | trans | -140.9 | -13.5 | 162.2 | 48.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 172 | V | 62.5 | Low | 73 | Confident | 40 Ų | 40 | 71.8 Ų | 71.8 | 24% | 0.242 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -147.1 | 132.5 | -171.3 | 171 | 0 | 0 | 0 | 0 | 112.7 | S161 L203 P206 | S161-V172 PolarHBondContact OG-O 3.3Å; V172-L203 HydrophobicContact CG1-CB 4.28Å; V172-L203 HydrophobicContact CG1-CD1 4Å; V172-L203 HydrophobicContact CG1-CG 4.49Å; V172-P206 HydrophobicContact CG1-CB 4.25Å; V172-P206 HydrophobicContact CG2-CB 4.15Å; V172-P206 HydrophobicContact CG2-CG 4.29Å |
| 173 | G | 68.2 | Low | 73.4 | Confident | 24 Ų | 24 | 67.8 Ų | 67.8 | 25% | 0.247 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | 97 | -158.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | F170 P206 | F170-G173 WeakPolarHBondContact CZ-O 3.29Å; G173-P206 PolarHBondContact N-O 2.99Å |
| 174 | R | 82.1 | Confident | 73.5 | Confident | 117 Ų | 117 | 68.3 Ų | 68.3 | 44% | 0.442 | 38% | 0.377 | S | S | . | . | trans | -86.1 | 155.3 | 174.9 | -54.1 | -67.4 | -179.2 | 170.2 | 1.8 | 110.9 | F159 T160 Q176 D209 Y235 | F159-R174 HydrophobicContact CB-CG 4Å; F159-R174 WeakPolarHBondContact O-CB 3.43Å; F159-R174 VanDerWaalsContact O-CG 3.22Å; F159-R174 WeakPolarHBondContact O-CG 3.28Å; F159-R174 PolarHBondContact O-N 2.89Å; T160-R174 PolarHBondContact OG1-O 3.26Å; R174-Q176 VanDerWaalsContact C-N 3.3Å; R174-Q176 PolarHBondContact O-N 2.97Å; R174-D209 IonicContact CZ-OD1 3.68Å; R174-D209 IonicContact NE-OD1 3.22Å; R174-D209 PolarHBondContact NE-OD1 2.89Å; R174-D209 IonicContact NH2-OD1 3.13Å; R174-D209 PolarHBondContact NH2-OD1 2.82Å; R174-D209 IonicContact NH2-OD2 2.75Å; R174-Y235 HydrophobicContact CB-CE2 4.36Å; R174-Y235 HydrophobicContact CG-CE2 4.46Å; R174-Y235 WeakPolarHBondContact CG-OH 2.94Å | ||
| 175 | S | 77.7 | Confident | 74 | Confident | 77 Ų | 77 | 72.1 Ų | 72.1 | 54% | 0.538 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -74.6 | -17.8 | -175 | 54.1 | 0 | 0 | 0 | 0 | 114.6 | R162 | R162-S175 PolarHBondContact NH1-O 2.72Š|
| 176 | Q | 85.7 | Confident | 75.1 | Confident | 46 Ų | 46 | 68.3 Ų | 68.3 | 22% | 0.215 | 38% | 0.377 | C | S | . | . | trans | -60.2 | 150.5 | 173.3 | -76.3 | 76.1 | 19.6 | 0 | 0 | 111.7 | T160 R174 V231 D232 A233 Y235 | T160-Q176 WeakPolarHBondContact CB-O 3.1Å; T160-Q176 VanDerWaalsContact CG2-O 3.28Å; T160-Q176 WeakPolarHBondContact CG2-O 3.32Å; T160-Q176 PolarHBondContact OG1-O 3.39Å; R174-Q176 VanDerWaalsContact C-N 3.3Å; R174-Q176 PolarHBondContact O-N 2.97Å; Q176-V231 HydrophobicContact CB-CG1 4.1Å; Q176-D232 HydrophobicContact CB-CB 3.76Å; Q176-D232 HydrophobicContact CG-CB 3.78Å; Q176-A233 VanDerWaalsContact CG-O 3.28Å; Q176-A233 WeakPolarHBondContact CG-O 3.15Å; Q176-A233 PolarHBondContact NE2-O 3.24Å; Q176-Y235 HydrophobicContact CB-CD2 4.15Å; Q176-Y235 HydrophobicContact CB-CE2 4.12Å; Q176-Y235 HydrophobicContact CG-CD2 4.03Å; Q176-Y235 HydrophobicContact CG-CE2 3.92Å | ||
| 177 | S | 87.9 | Confident | 76.9 | Confident | 7 Ų | 7 | 68.2 Ų | 68.2 | 5% | 0.049 | 38% | 0.376 | C | S | . | . | trans | -108.9 | 149.8 | 177.9 | -39.3 | 0 | 0 | 0 | 0 | 110.9 | R162 S164 I179 D232 | R162-S177 WeakPolarHBondContact CD-OG 3.37Å; R162-S177 PolarHBondContact NE-OG 3.47Å; R162-S177 VanDerWaalsContact NE-OG 3.16Å; R162-S177 CarbonylContact O-C 3.44Å; R162-S177 WeakPolarHBondContact O-CA 3.01Å; S164-S177 PolarHBondContact O-OG 3.3Å; S177-I179 PolarHBondContact O-N 3.02Å; S177-D232 PolarHBondContact N-OD2 2.8Å; S177-D232 PolarHBondContact O-N 3.13Å | ||
| 178 | I | 89.5 | Confident | 78.7 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 119.4 | 160.6 | -60.2 | 154.6 | 0 | 0 | 0 | 106.7 | I158 T160 R162 F163 S164 I181 I201 I213 F229 I230 V231 | I158-I178 HydrophobicContact CG2-CD1 3.81Å; I158-I178 HydrophobicContact CG2-CG1 4.24Å; T160-I178 HydrophobicContact CG2-CD1 4.43Å; T160-I178 HydrophobicContact CG2-CG1 3.9Å; R162-I178 PolarHBondContact O-N 3.46Å; F163-I178 HydrophobicContact CD2-CB 3.87Å; F163-I178 HydrophobicContact CD2-CG2 3.72Å; F163-I178 WeakPolarHBondContact CD2-O 3.47Å; F163-I178 HydrophobicContact CE2-CG2 4.17Å; S164-I178 PolarHBondContact N-O 3.4Å; I178-I181 HydrophobicContact CG2-CG1 3.99Å; I178-I201 HydrophobicContact CD1-CD1 4.49Å; I178-I201 HydrophobicContact CD1-CG2 4.05Å; I178-I213 HydrophobicContact CD1-CD1 3.68Å; I178-I213 HydrophobicContact CD1-CG1 3.97Å; I178-I213 HydrophobicContact CG1-CD1 4.43Å; I178-F229 HydrophobicContact CG2-CB 4.46Å; I178-I230 CarbonylContact C-O 3.52Å; I178-V231 HydrophobicContact CG1-CG2 4.18Å |
| 179 | I | 88.5 | Confident | 80.7 | Confident | 84 Ų | 84 | 60.6 Ų | 60.6 | 43% | 0.431 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -45.5 | -176.3 | -53.2 | -179.7 | 0 | 0 | 0 | 110.2 | S177 I230 D232 | S177-I179 PolarHBondContact O-N 3.02Å; I179-I230 HydrophobicContact CD1-CG2 3.91Å; I179-I230 HydrophobicContact CG1-CG2 4.44Å; I179-I230 PolarHBondContact N-O 2.84Å; I179-D232 WeakPolarHBondContact CD1-OD1 3.3Å; I179-D232 WeakPolarHBondContact CG1-OD1 3.41Å |
| 180 | R | 90.4 | Very high | 82.5 | Confident | 108 Ų | 108 | 54.3 Ų | 54.3 | 41% | 0.408 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 145.9 | -173.7 | -167.1 | 162 | -177.2 | 156.1 | -4 | 111.3 | Y182 N187 F229 I230 | R180-Y182 HydrophobicContact CB-CE2 4.01Å; R180-Y182 HydrophobicContact CG-CD2 4.36Å; R180-Y182 HydrophobicContact CG-CE1 4.37Å; R180-Y182 HydrophobicContact CG-CE2 4.02Å; R180-N187 PolarHBondContact NE-OD1 3.38Å; R180-N187 VanDerWaalsContact NH2-CG 3.31Å; R180-N187 PolarHBondContact NH2-ND2 3.03Å; R180-N187 PolarHBondContact NH2-OD1 2.81Å; R180-F229 CarbonylContact O-C 3.59Å; R180-F229 VanDerWaalsContact O-CA 3.27Å; R180-F229 WeakPolarHBondContact O-CA 3.37Å; R180-I230 PolarHBondContact O-N 2.85Å |
| 181 | I | 93.6 | Very high | 84.2 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 113.1 | 171.8 | -53.7 | 155 | 0 | 0 | 0 | 107.1 | L154 F163 I178 C188 P190 I213 C215 I227 F229 | L154-I181 HydrophobicContact CD1-CG2 3.92Å; F163-I181 HydrophobicContact CD2-CD1 4.37Å; F163-I181 HydrophobicContact CE2-CD1 4.07Å; F163-I181 HydrophobicContact CE2-CG1 4.33Å; I178-I181 HydrophobicContact CG2-CG1 3.99Å; I181-C188 HydrophobicContact CB-CB 4.15Å; I181-C188 HydrophobicContact CG2-CB 3.73Å; I181-C188 PolarHBondContact O-N 2.76Å; I181-P190 HydrophobicContact CD1-CB 4.08Å; I181-P190 HydrophobicContact CD1-CG 3.86Å; I181-I213 HydrophobicContact CD1-CG2 3.5Å; I181-I213 HydrophobicContact CG1-CG2 4.45Å; I181-C215 HydrophobicContact CD1-CB 4.16Å; I181-I227 HydrophobicContact CG2-CG2 4.4Å; I181-F229 HydrophobicContact CB-CB 4.42Å; I181-F229 HydrophobicContact CG1-CB 4Å; I181-F229 HydrophobicContact CG2-CB 4.42Å |
| 182 | Y | 92.5 | Very high | 85.8 | Confident | 65 Ų | 65 | 47.1 Ų | 47.1 | 26% | 0.255 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 130.4 | 179.7 | -64 | -90.4 | 0 | 0 | 0 | 110.1 | R180 I227 S228 I230 | R180-Y182 HydrophobicContact CB-CE2 4.01Å; R180-Y182 HydrophobicContact CG-CD2 4.36Å; R180-Y182 HydrophobicContact CG-CE1 4.37Å; R180-Y182 HydrophobicContact CG-CE2 4.02Å; Y182-I227 WeakPolarHBondContact O-CA 3.43Å; Y182-I227 VanDerWaalsContact O-CG2 3.3Å; Y182-I227 WeakPolarHBondContact O-CG2 3.37Å; Y182-S228 WeakPolarHBondContact CB-O 2.95Å; Y182-S228 PolarHBondContact N-O 3.29Å; Y182-S228 PolarHBondContact O-N 3.25Å; Y182-S228 VanDerWaalsContact O-N 3.09Å; Y182-I230 HydrophobicContact CE2-CD1 3.6Å; Y182-I230 HydrophobicContact CE2-CG1 3.88Å |
| 183 | D | 90.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 86.5 | 175 | 178.9 | 11.4 | 0 | 0 | 0 | 108.4 | G186 C188 R217 V219 V225 | D183-G186 PolarHBondContact N-O 2.91Å; D183-G186 CarbonylContact O-C 3.53Å; D183-G186 WeakPolarHBondContact O-CA 3.36Å; D183-G186 PolarHBondContact O-N 3.11Å; D183-C188 HydrophobicContact CB-CB 4.22Å; D183-R217 IonicContact OD1-CZ 3.4Å; D183-R217 IonicContact OD1-NE 3.37Å; D183-R217 IonicContact OD1-NH2 3.51Å; D183-R217 PolarHBondContact OD1-NH2 2.94Å; D183-R217 WeakPolarHBondContact OD2-CB 3.38Å; D183-R217 WeakPolarHBondContact OD2-CG 3.37Å; D183-R217 IonicContact OD2-CZ 3.83Å; D183-R217 IonicContact OD2-NE 2.72Å; D183-R217 PolarHBondContact OD2-NE 2.91Å; D183-R217 IonicContact OD2-NH2 3.58Å; D183-R217 PolarHBondContact OD2-NH2 2.81Å; D183-V219 WeakPolarHBondContact OD2-CG2 3.48Å; D183-V225 VanDerWaalsContact OD1-CG2 3.23Å; D183-V225 WeakPolarHBondContact OD1-CG2 3.24Å |
| 184 | G | 86.3 | Confident | 87.2 | Confident | 30 Ų | 30 | 57.1 Ų | 57.1 | 31% | 0.309 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -123.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | G186 N226 | G184-G186 VanDerWaalsContact C-N 3.3Å; G184-N226 WeakPolarHBondContact CA-O 3.5Å; G184-N226 PolarHBondContact N-O 3.18Å |
| 185 | P | 81.8 | Confident | 87.1 | Confident | 132 Ų | 132 | 53.6 Ų | 53.6 | 86% | 0.857 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -13.6 | 173.9 | 32.8 | -34.5 | 0 | 0 | 0 | 113.7 | ||
| 186 | G | 87.1 | Confident | 86.9 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 18% | 0.175 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | -169 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | D183 G184 | D183-G186 PolarHBondContact N-O 2.91Å; D183-G186 CarbonylContact O-C 3.53Å; D183-G186 WeakPolarHBondContact O-CA 3.36Å; D183-G186 PolarHBondContact O-N 3.11Å; G184-G186 VanDerWaalsContact C-N 3.3Å |
| 187 | N | 90.3 | Very high | 86.7 | Confident | 58 Ų | 58 | 59 Ų | 59 | 31% | 0.31 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 155.4 | 176.6 | -66.1 | -23.2 | 0 | 0 | 0 | 110.9 | R180 S218 | R180-N187 PolarHBondContact NE-OD1 3.38Å; R180-N187 VanDerWaalsContact NH2-CG 3.31Å; R180-N187 PolarHBondContact NH2-ND2 3.03Å; R180-N187 PolarHBondContact NH2-OD1 2.81Å; N187-S218 WeakPolarHBondContact O-CB 3.21Å; N187-S218 PolarHBondContact O-N 2.9Å; N187-S218 PolarHBondContact O-OG 3.42Å |
| 188 | C | 92.3 | Very high | 86.5 | Confident | 3 Ų | 3 | 60.7 Ų | 60.7 | 2% | 0.02 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.1 | 167.6 | -159.3 | 0 | 0 | 0 | 0 | 108.9 | I181 D183 P190 C215 K216 | I181-C188 HydrophobicContact CB-CB 4.15Å; I181-C188 HydrophobicContact CG2-CB 3.73Å; I181-C188 PolarHBondContact O-N 2.76Å; D183-C188 HydrophobicContact CB-CB 4.22Å; C188-P190 WeakPolarHBondContact O-CD 3.42Å; C188-C215 HydrophobicContact CB-CB 3.83Å; C188-C215 WeakPolarHBondContact CB-SG 3.39Å; C188-C215 WeakPolarHBondContact SG-CB 3.12Å; C188-C215 PolarHBondContact SG-O 3.36Å; C188-C215 VanDerWaalsContact SG-O 3.35Å; C188-C215 CovalentContact SG-SG 2.03Å; C188-C215 PolarHBondContact SG-SG 2.82Å; C188-K216 CarbonylContact C-O 3.51Å |
| 189 | E | 91.4 | Very high | 86.5 | Confident | 76 Ų | 76 | 63 Ų | 63 | 36% | 0.355 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 111.1 | -173.8 | -177.6 | 52 | -108.9 | 0 | 0 | 110.8 | Q191 Y199 C215 K216 | E189-Q191 WeakPolarHBondContact OE1-CB 3.14Å; E189-Q191 PolarHBondContact OE1-N 3.26Å; E189-Y199 WeakPolarHBondContact O-CE2 3.23Å; E189-C215 CarbonylContact O-C 3.59Å; E189-C215 WeakPolarHBondContact O-CA 3.35Å; E189-K216 PolarHBondContact N-O 2.87Å; E189-K216 PolarHBondContact O-N 3.44Å |
| 190 | P | 90.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -80.3 | -16.8 | 178.7 | 32.8 | -35.7 | 0 | 0 | 0 | 113.8 | F163 I181 C188 Y198 Y199 I201 C215 | F163-P190 HydrophobicContact CB-CG 4.43Å; F163-P190 HydrophobicContact CD1-CG 3.57Å; F163-P190 HydrophobicContact CD2-CG 3.52Å; F163-P190 HydrophobicContact CE1-CG 3.49Å; F163-P190 VanDerWaalsContact CE1-CG 3.49Å; F163-P190 HydrophobicContact CE2-CG 3.48Å; F163-P190 VanDerWaalsContact CE2-CG 3.48Å; F163-P190 HydrophobicContact CG-CG 3.57Å; F163-P190 HydrophobicContact CZ-CG 3.45Å; F163-P190 VanDerWaalsContact CZ-CG 3.45Å; I181-P190 HydrophobicContact CD1-CB 4.08Å; I181-P190 HydrophobicContact CD1-CG 3.86Å; C188-P190 WeakPolarHBondContact O-CD 3.42Å; P190-Y198 HydrophobicContact CB-CD1 4.25Å; P190-Y198 VanDerWaalsContact O-CA 3.31Å; P190-Y198 WeakPolarHBondContact O-CA 3.08Å; P190-Y199 VanDerWaalsContact O-CD2 3.31Å; P190-Y199 WeakPolarHBondContact O-CD2 3.1Å; P190-Y199 PolarHBondContact O-N 2.88Å; P190-I201 HydrophobicContact CB-CD1 3.89Å; P190-I201 HydrophobicContact CB-CG1 4.34Å; P190-I201 HydrophobicContact CG-CD1 4.32Å; P190-C215 HydrophobicContact CB-CB 4.08Å | ||
| 191 | Q | 87 | Confident | 86.4 | Confident | 43 Ų | 43 | 55.7 Ų | 55.7 | 20% | 0.201 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -83.4 | 144.8 | 178.7 | -67.5 | 177.3 | -12 | 0 | 0 | 111.9 | F163 N166 E189 Y198 Y199 | F163-Q191 HydrophobicContact CD1-CG 4.34Å; N166-Q191 PolarHBondContact ND2-NE2 2.84Å; N166-Q191 PolarHBondContact OD1-NE2 2.93Å; E189-Q191 WeakPolarHBondContact OE1-CB 3.14Å; E189-Q191 PolarHBondContact OE1-N 3.26Å; Q191-Y198 HydrophobicContact CG-CD1 3.64Å; Q191-Y198 HydrophobicContact CG-CE1 3.31Å; Q191-Y198 PolarHBondContact NE2-OH 2.78Å; Q191-Y199 VanDerWaalsContact O-CE2 3.26Å; Q191-Y199 WeakPolarHBondContact O-CE2 3.34Å |
| 192 | L | 85.5 | Confident | 86.1 | Confident | 61 Ų | 61 | 56.1 Ų | 56.1 | 32% | 0.319 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 141.8 | 169.9 | -81.1 | 141.3 | 0 | 0 | 0 | 109.3 | N194 S195 L197 Y199 | L192-N194 PolarHBondContact O-N 2.87Å; L192-S195 PolarHBondContact O-N 2.78Å; L192-L197 WeakPolarHBondContact CB-O 3.12Å; L192-L197 HydrophobicContact CD1-CB 3.52Å; L192-L197 PolarHBondContact N-O 2.87Å; L192-Y199 HydrophobicContact CD2-CD1 4.15Å; L192-Y199 HydrophobicContact CD2-CE1 3.76Å; L192-Y199 HydrophobicContact CG-CD1 4.28Å; L192-Y199 HydrophobicContact CG-CE1 4.16Å |
| 193 | P | 81.6 | Confident | 85.9 | Confident | 90 Ų | 90 | 54 Ų | 54 | 58% | 0.584 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 131.7 | 178.6 | -21.7 | 31.5 | 0 | 0 | 0 | 110.9 | S195 Y199 | P193-S195 PolarHBondContact O-N 2.74Å; P193-Y199 WeakPolarHBondContact CD-OH 3.35Å |
| 194 | N | 80.4 | Confident | 85.8 | Confident | 184 Ų | 184 | 60 Ų | 60 | 98% | 0.984 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 30.9 | 179 | -51.7 | -36 | 0 | 0 | 0 | 114.2 | L192 | L192-N194 PolarHBondContact O-N 2.87Š|
| 195 | S | 78.9 | Confident | 85.6 | Confident | 43 Ų | 43 | 60.9 Ų | 60.9 | 30% | 0.301 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -142.6 | 150.1 | -179.2 | -173.2 | 0 | 0 | 0 | 0 | 111.9 | L192 P193 L197 | L192-S195 PolarHBondContact O-N 2.78Å; P193-S195 PolarHBondContact O-N 2.74Å; S195-L197 PolarHBondContact O-N 2.8Å; S195-L197 WeakPolarHBondContact OG-CB 3.2Å; S195-L197 PolarHBondContact OG-N 2.95Å; S195-L197 VanDerWaalsContact OG-N 3.15Å |
| 196 | D | 72.8 | Confident | 85.3 | Confident | 118 Ų | 118 | 58.8 Ų | 58.8 | 63% | 0.631 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -80.6 | -0.2 | 169.3 | -63 | -42.1 | 0 | 0 | 0 | 112.8 | ||
| 197 | L | 81.3 | Confident | 84.9 | Confident | 117 Ų | 117 | 64.2 Ų | 64.2 | 61% | 0.613 | 36% | 0.359 | S | S | * | . | trans | -83.1 | 151.4 | 176.5 | -62.8 | 174.5 | 0 | 0 | 0 | 111.3 | L192 S195 | L192-L197 WeakPolarHBondContact CB-O 3.12Å; L192-L197 HydrophobicContact CD1-CB 3.52Å; L192-L197 PolarHBondContact N-O 2.87Å; S195-L197 PolarHBondContact O-N 2.8Å; S195-L197 WeakPolarHBondContact OG-CB 3.2Å; S195-L197 PolarHBondContact OG-N 2.95Å; S195-L197 VanDerWaalsContact OG-N 3.15Å | ||
| 198 | Y | 84.7 | Confident | 84.7 | Confident | 44 Ų | 44 | 62.7 Ų | 62.7 | 17% | 0.173 | 35% | 0.353 | C | S | . | . | B | Isolated β-bridge | trans | -106.3 | 152.3 | 176.6 | -59.4 | -87.4 | 0 | 0 | 0 | 110.9 | F163 N166 L167 P190 Q191 G200 I201 | F163-Y198 HydrophobicContact CB-CE1 3.77Å; F163-Y198 HydrophobicContact CD1-CE1 4Å; F163-Y198 HydrophobicContact CG-CE1 4.26Å; F163-Y198 PolarHBondContact O-OH 3.23Å; N166-Y198 PolarHBondContact OD1-OH 2.96Å; L167-Y198 HydrophobicContact CD1-CE2 3.84Å; P190-Y198 HydrophobicContact CB-CD1 4.25Å; P190-Y198 VanDerWaalsContact O-CA 3.31Å; P190-Y198 WeakPolarHBondContact O-CA 3.08Å; Q191-Y198 HydrophobicContact CG-CD1 3.64Å; Q191-Y198 HydrophobicContact CG-CE1 3.31Å; Q191-Y198 PolarHBondContact NE2-OH 2.78Å; Y198-G200 PolarHBondContact O-N 2.85Å; Y198-I201 HydrophobicContact CD1-CD1 3.7Å; Y198-I201 HydrophobicContact CD1-CG1 4.25Å; Y198-I201 HydrophobicContact CE1-CD1 4.11Å; Y198-I201 HydrophobicContact CG-CD1 4.22Å; Y198-I201 HydrophobicContact CG-CG1 4.36Å |
| 199 | Y | 88.7 | Confident | 84.6 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 19% | 0.192 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -58.3 | -34.9 | 168.5 | -67.3 | -73.3 | 0 | 0 | 0 | 111.6 | I151 E189 P190 Q191 L192 P193 K216 | I151-Y199 HydrophobicContact CD1-CD1 3.38Å; I151-Y199 HydrophobicContact CD1-CE1 3.49Å; I151-Y199 VanDerWaalsContact CD1-CE1 3.49Å; I151-Y199 HydrophobicContact CD1-CG 4.2Å; I151-Y199 HydrophobicContact CG1-CD1 4Å; I151-Y199 HydrophobicContact CG1-CE1 4.02Å; I151-Y199 HydrophobicContact CG1-CG 4.42Å; I151-Y199 HydrophobicContact CG2-CG 4.44Å; E189-Y199 WeakPolarHBondContact O-CE2 3.23Å; P190-Y199 VanDerWaalsContact O-CD2 3.31Å; P190-Y199 WeakPolarHBondContact O-CD2 3.1Å; P190-Y199 PolarHBondContact O-N 2.88Å; Q191-Y199 VanDerWaalsContact O-CE2 3.26Å; Q191-Y199 WeakPolarHBondContact O-CE2 3.34Å; L192-Y199 HydrophobicContact CD2-CD1 4.15Å; L192-Y199 HydrophobicContact CD2-CE1 3.76Å; L192-Y199 HydrophobicContact CG-CD1 4.28Å; L192-Y199 HydrophobicContact CG-CE1 4.16Å; P193-Y199 WeakPolarHBondContact CD-OH 3.35Å; Y199-K216 HydrophobicContact CD2-CB 4.26Å; Y199-K216 HydrophobicContact CE2-CB 3.5Å; Y199-K216 VanDerWaalsContact CE2-CB 3.5Å; Y199-K216 VanDerWaalsContact OH-CD 3.25Å; Y199-K216 WeakPolarHBondContact OH-CD 3.32Å |
| 200 | G | 87.9 | Confident | 84.7 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 14% | 0.144 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.1 | 107.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y198 I213 M214 | Y198-G200 PolarHBondContact O-N 2.85Å; G200-I213 CarbonylContact O-C 3.56Å; G200-M214 WeakPolarHBondContact O-CB 3.36Å; G200-M214 PolarHBondContact O-N 3.3Å |
| 201 | I | 88.4 | Confident | 84.8 | Confident | 24 Ų | 24 | 65.9 Ų | 65.9 | 12% | 0.123 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125 | 168.1 | -51.4 | -179 | 0 | 0 | 0 | 107 | F163 I178 P190 Y198 Y212 I213 | F163-I201 HydrophobicContact CB-CD1 3.63Å; F163-I201 HydrophobicContact CG-CD1 4.37Å; I178-I201 HydrophobicContact CD1-CD1 4.49Å; I178-I201 HydrophobicContact CD1-CG2 4.05Å; P190-I201 HydrophobicContact CB-CD1 3.89Å; P190-I201 HydrophobicContact CB-CG1 4.34Å; P190-I201 HydrophobicContact CG-CD1 4.32Å; Y198-I201 HydrophobicContact CD1-CD1 3.7Å; Y198-I201 HydrophobicContact CD1-CG1 4.25Å; Y198-I201 HydrophobicContact CE1-CD1 4.11Å; Y198-I201 HydrophobicContact CG-CD1 4.22Å; Y198-I201 HydrophobicContact CG-CG1 4.36Å; I201-Y212 WeakPolarHBondContact CA-O 3.25Å; I201-I213 HydrophobicContact CG1-CG2 4.37Å; I201-I213 HydrophobicContact CG2-CG1 4.36Å |
| 202 | G | 87.5 | Confident | 85.1 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 11% | 0.113 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 156.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G211 Y212 | G202-G211 CarbonylContact O-C 3.4Å; G202-G211 WeakPolarHBondContact O-CA 3.48Å; G202-Y212 PolarHBondContact N-O 3.4Å; G202-Y212 VanDerWaalsContact N-O 3.07Å; G202-Y212 PolarHBondContact O-N 3.19Å |
| 203 | L | 89.6 | Confident | 85.5 | Confident | 20 Ų | 20 | 65.2 Ų | 65.2 | 11% | 0.105 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 149.6 | 169.8 | -61.4 | 173.8 | 0 | 0 | 0 | 109.1 | V172 S205 S208 K210 | V172-L203 HydrophobicContact CG1-CB 4.28Å; V172-L203 HydrophobicContact CG1-CD1 4Å; V172-L203 HydrophobicContact CG1-CG 4.49Å; L203-S205 WeakPolarHBondContact CB-O 3.43Å; L203-S205 PolarHBondContact O-N 3.28Å; L203-S208 WeakPolarHBondContact CD1-O 3.34Å; L203-K210 WeakPolarHBondContact CA-O 3.48Å |
| 204 | L | 87.2 | Confident | 86.1 | Confident | 127 Ų | 127 | 64.3 Ų | 64.3 | 67% | 0.665 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -62 | -27.6 | -179.5 | -64.5 | -179.5 | 0 | 0 | 0 | 112.6 | K210 | L204-K210 HydrophobicContact CD1-CB 3.72Å; L204-K210 HydrophobicContact CG-CB 4.22Å; L204-K210 PolarHBondContact N-O 2.81Å |
| 205 | S | 83.2 | Confident | 86.8 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 33% | 0.329 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -151.4 | 164.2 | 168.7 | 77 | 0 | 0 | 0 | 0 | 109.5 | L203 T207 S208 | L203-S205 WeakPolarHBondContact CB-O 3.43Å; L203-S205 PolarHBondContact O-N 3.28Å; S205-T207 PolarHBondContact O-N 3.14Å; S205-S208 WeakPolarHBondContact O-CB 3.3Å; S205-S208 PolarHBondContact O-N 3.28Å; S205-S208 VanDerWaalsContact OG-CB 3.26Å; S205-S208 WeakPolarHBondContact OG-CB 3.38Å; S205-S208 PolarHBondContact OG-N 3.34Å |
| 206 | P | 75.1 | Confident | 87.5 | Confident | 89 Ų | 89 | 57.6 Ų | 57.6 | 58% | 0.578 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -23.9 | -179.5 | -28.7 | 36.6 | 0 | 0 | 0 | 115.9 | V172 G173 | V172-P206 HydrophobicContact CG1-CB 4.25Å; V172-P206 HydrophobicContact CG2-CB 4.15Å; V172-P206 HydrophobicContact CG2-CG 4.29Å; G173-P206 PolarHBondContact N-O 2.99Å |
| 207 | T | 78.5 | Confident | 88.3 | Confident | 131 Ų | 131 | 52.2 Ų | 52.2 | 80% | 0.804 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | -1.4 | -179.1 | 55.2 | 0 | 0 | 0 | 0 | 113.5 | S205 | S205-T207 PolarHBondContact O-N 3.14Š|
| 208 | S | 86.9 | Confident | 88.5 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 18% | 0.175 | 28% | 0.275 | C | S | . | . | trans | -80.8 | 133.9 | -179.4 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | L203 S205 K210 | L203-S208 WeakPolarHBondContact CD1-O 3.34Å; S205-S208 WeakPolarHBondContact O-CB 3.3Å; S205-S208 PolarHBondContact O-N 3.28Å; S205-S208 VanDerWaalsContact OG-CB 3.26Å; S205-S208 WeakPolarHBondContact OG-CB 3.38Å; S205-S208 PolarHBondContact OG-N 3.34Å; S208-K210 VanDerWaalsContact C-N 3.25Å; S208-K210 WeakPolarHBondContact OG-CA 3.37Å; S208-K210 WeakPolarHBondContact OG-CB 3.33Å; S208-K210 PolarHBondContact OG-N 3.17Å; S208-K210 PolarHBondContact OG-O 2.86Å | ||
| 209 | D | 90.1 | Very high | 88.1 | Confident | 55 Ų | 55 | 49.9 Ų | 49.9 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -78.9 | -12.8 | 168.4 | -62.6 | -42.4 | 0 | 0 | 0 | 112 | T157 I158 F159 R174 | T157-D209 CarbonylContact C-O 3.46Å; T157-D209 WeakPolarHBondContact CA-O 3.46Å; T157-D209 HydrophobicContact CG2-CB 4.01Å; I158-D209 PolarHBondContact N-O 2.99Å; F159-D209 HydrophobicContact CD1-CB 3.63Å; F159-D209 HydrophobicContact CE1-CB 3.87Å; F159-D209 HydrophobicContact CG-CB 4.5Å; F159-D209 PolarHBondContact N-O 2.79Å; R174-D209 IonicContact CZ-OD1 3.68Å; R174-D209 IonicContact NE-OD1 3.22Å; R174-D209 PolarHBondContact NE-OD1 2.89Å; R174-D209 IonicContact NH2-OD1 3.13Å; R174-D209 PolarHBondContact NH2-OD1 2.82Å; R174-D209 IonicContact NH2-OD2 2.75Å |
| 210 | K | 92.9 | Very high | 87.6 | Confident | 87 Ų | 87 | 50.9 Ų | 50.9 | 38% | 0.378 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 142.2 | 173.9 | -66.6 | -163.1 | 172.2 | -142 | 0 | 112.4 | E139 G156 L203 L204 S208 | E139-K210 VanDerWaalsContact CD-NZ 3.26Å; E139-K210 IonicContact OE1-NZ 3.03Å; E139-K210 PolarHBondContact OE1-NZ 2.78Å; E139-K210 IonicContact OE2-NZ 3.54Å; E139-K210 PolarHBondContact OE2-NZ 2.8Å; G156-K210 CarbonylContact O-C 3.59Å; G156-K210 VanDerWaalsContact O-CA 3.3Å; G156-K210 WeakPolarHBondContact O-CA 3.19Å; L203-K210 WeakPolarHBondContact CA-O 3.48Å; L204-K210 HydrophobicContact CD1-CB 3.72Å; L204-K210 HydrophobicContact CG-CB 4.22Å; L204-K210 PolarHBondContact N-O 2.81Å; S208-K210 VanDerWaalsContact C-N 3.25Å; S208-K210 WeakPolarHBondContact OG-CA 3.37Å; S208-K210 WeakPolarHBondContact OG-CB 3.33Å; S208-K210 PolarHBondContact OG-N 3.17Å; S208-K210 PolarHBondContact OG-O 2.86Å |
| 211 | G | 92.7 | Very high | 87.1 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 4% | 0.041 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | -157.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N155 G156 I158 G202 | N155-G211 WeakPolarHBondContact CA-O 3.45Å; G156-G211 PolarHBondContact N-O 2.69Å; G156-G211 PolarHBondContact O-N 2.88Å; I158-G211 WeakPolarHBondContact CD1-O 3.33Å; G202-G211 CarbonylContact O-C 3.4Å; G202-G211 WeakPolarHBondContact O-CA 3.48Å |
| 212 | Y | 93.7 | Very high | 86.9 | Confident | 90 Ų | 90 | 54 Ų | 54 | 35% | 0.353 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 151.8 | 174.2 | 63.2 | -86.1 | 0 | 0 | 0 | 112.3 | L154 N155 I158 I201 G202 M214 | L154-Y212 CarbonylContact O-C 3.47Å; L154-Y212 WeakPolarHBondContact O-CA 3.24Å; N155-Y212 VanDerWaalsContact OD1-CB 3.26Å; N155-Y212 WeakPolarHBondContact OD1-CB 3.16Å; I158-Y212 VanDerWaalsContact CD1-CA 3.48Å; I201-Y212 WeakPolarHBondContact CA-O 3.25Å; G202-Y212 PolarHBondContact N-O 3.4Å; G202-Y212 VanDerWaalsContact N-O 3.07Å; G202-Y212 PolarHBondContact O-N 3.19Å; Y212-M214 HydrophobicContact CD2-CG 4.2Å |
| 213 | I | 94 | Very high | 87 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 121.3 | 172 | -57.3 | 167.5 | 0 | 0 | 0 | 107.8 | G153 L154 I158 I178 I181 G200 I201 F229 | G153-I213 CarbonylContact C-O 3.52Å; G153-I213 WeakPolarHBondContact CA-O 3.4Å; L154-I213 HydrophobicContact CB-CB 4.36Å; L154-I213 PolarHBondContact N-O 3.37Å; L154-I213 PolarHBondContact O-N 3.06Å; I158-I213 HydrophobicContact CD1-CD1 4.2Å; I158-I213 HydrophobicContact CD1-CG1 3.78Å; I158-I213 HydrophobicContact CG1-CD1 4.05Å; I158-I213 HydrophobicContact CG1-CG1 4.17Å; I158-I213 HydrophobicContact CG2-CD1 3.86Å; I158-I213 HydrophobicContact CG2-CG1 4.05Å; I178-I213 HydrophobicContact CD1-CD1 3.68Å; I178-I213 HydrophobicContact CD1-CG1 3.97Å; I178-I213 HydrophobicContact CG1-CD1 4.43Å; I181-I213 HydrophobicContact CD1-CG2 3.5Å; I181-I213 HydrophobicContact CG1-CG2 4.45Å; G200-I213 CarbonylContact O-C 3.56Å; I201-I213 HydrophobicContact CG1-CG2 4.37Å; I201-I213 HydrophobicContact CG2-CG1 4.36Å; I213-F229 HydrophobicContact CD1-CD1 4.07Å; I213-F229 HydrophobicContact CD1-CD2 4.13Å; I213-F229 HydrophobicContact CD1-CE1 4.23Å; I213-F229 HydrophobicContact CD1-CE2 4.29Å; I213-F229 HydrophobicContact CD1-CG 4.02Å; I213-F229 HydrophobicContact CD1-CZ 4.35Å |
| 214 | M | 94.4 | Very high | 87.1 | Confident | 71 Ų | 71 | 54.3 Ų | 54.3 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 129.5 | 169.6 | -60.2 | -175.1 | 70 | 0 | 0 | 109.2 | I151 I152 G200 Y212 | I151-M214 HydrophobicContact CG2-CB 4.17Å; I151-M214 HydrophobicContact CG2-CE 3.93Å; I152-M214 CarbonylContact O-C 3.53Å; I152-M214 VanDerWaalsContact O-CA 3.27Å; I152-M214 WeakPolarHBondContact O-CA 3.36Å; G200-M214 WeakPolarHBondContact O-CB 3.36Å; G200-M214 PolarHBondContact O-N 3.3Å; Y212-M214 HydrophobicContact CD2-CG 4.2Å |
| 215 | C | 93.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 146.6 | -179.5 | 63.9 | 0 | 0 | 0 | 0 | 111.9 | I151 I152 I181 C188 E189 P190 | I151-C215 WeakPolarHBondContact CA-O 3.1Å; I152-C215 PolarHBondContact N-O 2.76Å; I152-C215 PolarHBondContact O-N 3.45Å; I181-C215 HydrophobicContact CD1-CB 4.16Å; C188-C215 HydrophobicContact CB-CB 3.83Å; C188-C215 WeakPolarHBondContact CB-SG 3.39Å; C188-C215 WeakPolarHBondContact SG-CB 3.12Å; C188-C215 PolarHBondContact SG-O 3.36Å; C188-C215 VanDerWaalsContact SG-O 3.35Å; C188-C215 CovalentContact SG-SG 2.03Å; C188-C215 PolarHBondContact SG-SG 2.82Å; E189-C215 CarbonylContact O-C 3.59Å; E189-C215 WeakPolarHBondContact O-CA 3.35Å; P190-C215 HydrophobicContact CB-CB 4.08Å |
| 216 | K | 93.4 | Very high | 87.7 | Confident | 87 Ų | 87 | 50.2 Ų | 50.2 | 38% | 0.378 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 126.6 | 175.5 | -175.8 | 172.9 | -178.8 | 176.5 | 0 | 110 | G149 I151 C188 E189 Y199 | G149-K216 VanDerWaalsContact O-CE 3.22Å; G149-K216 WeakPolarHBondContact O-CE 3.11Å; G149-K216 WeakPolarHBondContact O-CG 3.42Å; I151-K216 HydrophobicContact CG1-CB 4.26Å; C188-K216 CarbonylContact C-O 3.51Å; E189-K216 PolarHBondContact N-O 2.87Å; E189-K216 PolarHBondContact O-N 3.44Å; Y199-K216 HydrophobicContact CD2-CB 4.26Å; Y199-K216 HydrophobicContact CE2-CB 3.5Å; Y199-K216 VanDerWaalsContact CE2-CB 3.5Å; Y199-K216 VanDerWaalsContact OH-CD 3.25Å; Y199-K216 WeakPolarHBondContact OH-CD 3.32Å |
| 217 | R | 90.8 | Very high | 88.6 | Confident | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 131.3 | -178.6 | -60.7 | -179.6 | 67.5 | -140.2 | -4.5 | 110.7 | G149 S150 I152 D183 V219 H256 S258 | G149-R217 WeakPolarHBondContact CA-O 2.9Å; S150-R217 WeakPolarHBondContact O-CG 3.42Å; S150-R217 PolarHBondContact O-N 2.61Å; I152-R217 HydrophobicContact CD1-CG 3.98Å; I152-R217 HydrophobicContact CG1-CG 3.97Å; I152-R217 HydrophobicContact CG2-CG 4.33Å; D183-R217 IonicContact OD1-CZ 3.4Å; D183-R217 IonicContact OD1-NE 3.37Å; D183-R217 IonicContact OD1-NH2 3.51Å; D183-R217 PolarHBondContact OD1-NH2 2.94Å; D183-R217 WeakPolarHBondContact OD2-CB 3.38Å; D183-R217 WeakPolarHBondContact OD2-CG 3.37Å; D183-R217 IonicContact OD2-CZ 3.83Å; D183-R217 IonicContact OD2-NE 2.72Å; D183-R217 PolarHBondContact OD2-NE 2.91Å; D183-R217 IonicContact OD2-NH2 3.58Å; D183-R217 PolarHBondContact OD2-NH2 2.81Å; R217-V219 HydrophobicContact CB-CG2 4.24Å; R217-V219 VanDerWaalsContact NH2-CG2 3.34Å; R217-H256 PolarHBondContact NH1-CD2 3.1Å; R217-H256 PolarHBondContact NH1-NE2 2.86Å; R217-S258 PolarHBondContact NH1-OG 3.32Å; R217-S258 PolarHBondContact NH2-OG 3.05Å; R217-S258 VanDerWaalsContact NH2-OG 3.17Å |
| 218 | S | 85.7 | Confident | 89.4 | Confident | 81 Ų | 81 | 40.7 Ų | 40.7 | 57% | 0.566 | 22% | 0.221 | S | C | * | . | trans | -92.9 | 2.4 | 179.5 | -51.4 | 0 | 0 | 0 | 0 | 114 | N187 | N187-S218 WeakPolarHBondContact O-CB 3.21Å; N187-S218 PolarHBondContact O-N 2.9Å; N187-S218 PolarHBondContact O-OG 3.42Å | ||
| 219 | V | 76.5 | Confident | 89.8 | Confident | 30 Ų | 30 | 39.5 Ų | 39.5 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | trans | -85.2 | 144.2 | 180 | -73.9 | 0 | 0 | 0 | 0 | 112 | P148 D183 R217 | P148-V219 VanDerWaalsContact CB-O 3.3Å; P148-V219 WeakPolarHBondContact CB-O 3.27Å; D183-V219 WeakPolarHBondContact OD2-CG2 3.48Å; R217-V219 HydrophobicContact CB-CG2 4.24Å; R217-V219 VanDerWaalsContact NH2-CG2 3.34Å | ||
| 220 | S | 76.6 | Confident | 89.9 | Confident | 71 Ų | 71 | 37.8 Ų | 37.8 | 50% | 0.497 | 20% | 0.204 | S | C | . | . | trans | -108.3 | 5.8 | -179.1 | 60.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 221 | H | 78 | Confident | 89.9 | Confident | 89 Ų | 89 | 33.6 Ų | 33.6 | 41% | 0.412 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -114.3 | 151.1 | -173.7 | -61 | 81.7 | 0 | 0 | 0 | 111.8 | S258 N286 | H221-S258 WeakPolarHBondContact O-CB 3.44Å; H221-S258 PolarHBondContact O-OG 3.46Å; H221-N286 PolarHBondContact CD2-ND2 3.33Å; H221-N286 PolarHBondContact NE2-ND2 2.73Å |
| 222 | T | 85 | Confident | 89.8 | Confident | 15 Ų | 15 | 36.1 Ų | 36.1 | 9% | 0.092 | 20% | 0.198 | C | C | . | . | trans | -76.3 | 155.4 | 173.3 | 50 | 0 | 0 | 0 | 0 | 111.4 | Y259 | T222-Y259 VanDerWaalsContact CG2-C 3.49Š| ||
| 223 | G | 88.2 | Confident | 89.6 | Confident | 10 Ų | 10 | 33 Ų | 33 | 10% | 0.103 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 129.2 | 173.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q257 S258 | G223-Q257 WeakPolarHBondContact O-CA 3.46Å; G223-S258 PolarHBondContact N-O 3.21Å; G223-S258 PolarHBondContact O-N 2.85Å |
| 224 | S | 91.3 | Very high | 89.5 | Confident | 27 Ų | 27 | 34 Ų | 34 | 19% | 0.189 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 133 | -175 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | D248 Q257 F1012 | S224-D248 VanDerWaalsContact CB-OD2 3.24Å; S224-D248 WeakPolarHBondContact CB-OD2 3.45Å; S224-D248 WeakPolarHBondContact OG-CB 3.31Å; S224-D248 PolarHBondContact OG-OD2 3.02Å; S224-Q257 PolarHBondContact OG-NE2 2.79Å; S224-F1012 WeakPolarHBondContact OG-CE1 3.33Å |
| 225 | V | 91.4 | Very high | 89.4 | Confident | 26 Ų | 26 | 31.5 Ų | 31.5 | 16% | 0.158 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 152 | -176.6 | -67.8 | 0 | 0 | 0 | 0 | 113.2 | D183 M255 H256 | D183-V225 VanDerWaalsContact OD1-CG2 3.23Å; D183-V225 WeakPolarHBondContact OD1-CG2 3.24Å; V225-M255 PolarHBondContact O-N 3.18Å; V225-H256 HydrophobicContact CG2-CB 4.22Å; V225-H256 WeakPolarHBondContact CG2-O 3.16Å; V225-H256 PolarHBondContact N-O 3.12Å; V225-H256 PolarHBondContact O-N 3.06Å; V225-H256 VanDerWaalsContact O-N 3.15Å |
| 226 | N | 93.2 | Very high | 89.4 | Confident | 62 Ų | 62 | 31.5 Ų | 31.5 | 33% | 0.332 | 18% | 0.184 | S | C | . | . | trans | -102.5 | 138.7 | 172.1 | -75.9 | -37.3 | 0 | 0 | 0 | 110.2 | G184 Y245 T253 F254 M255 | G184-N226 WeakPolarHBondContact CA-O 3.5Å; G184-N226 PolarHBondContact N-O 3.18Å; N226-Y245 WeakPolarHBondContact OD1-CE1 3.12Å; N226-T253 PolarHBondContact ND2-O 3.1Å; N226-T253 VanDerWaalsContact ND2-O 3.11Å; N226-T253 PolarHBondContact OD1-O 2.55Å; N226-F254 VanDerWaalsContact OD1-CA 3.27Å; N226-F254 WeakPolarHBondContact OD1-CA 3.44Å; N226-M255 HydrophobicContact CB-CE 3.88Å; N226-M255 PolarHBondContact OD1-N 2.88Å | ||
| 227 | I | 94 | Very high | 89.4 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.6 | -173.7 | -53.8 | -176.2 | 0 | 0 | 0 | 108.7 | I138 V141 I152 L154 I181 Y182 M255 H256 | I138-I227 VanDerWaalsContact CD1-O 3.25Å; I138-I227 WeakPolarHBondContact CD1-O 3.41Å; V141-I227 HydrophobicContact CG1-CD1 4.32Å; I152-I227 HydrophobicContact CD1-CD1 3.25Å; L154-I227 HydrophobicContact CD1-CG2 3.79Å; L154-I227 HydrophobicContact CD2-CD1 4.31Å; L154-I227 HydrophobicContact CD2-CG2 3.9Å; I181-I227 HydrophobicContact CG2-CG2 4.4Å; Y182-I227 WeakPolarHBondContact O-CA 3.43Å; Y182-I227 VanDerWaalsContact O-CG2 3.3Å; Y182-I227 WeakPolarHBondContact O-CG2 3.37Å; I227-M255 HydrophobicContact CB-SD 4.19Å; I227-M255 PolarHBondContact N-SD 2.7Å; I227-M255 WeakPolarHBondContact O-CE 3.02Å; I227-H256 HydrophobicContact CD1-CB 3.8Å |
| 228 | S | 94.7 | Very high | 89.7 | Confident | 18 Ų | 18 | 31.2 Ų | 31.2 | 13% | 0.126 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 155.5 | 171.5 | 59.5 | 0 | 0 | 0 | 0 | 110.2 | Y182 R237 S238 | Y182-S228 WeakPolarHBondContact CB-O 2.95Å; Y182-S228 PolarHBondContact N-O 3.29Å; Y182-S228 PolarHBondContact O-N 3.25Å; Y182-S228 VanDerWaalsContact O-N 3.09Å; S228-R237 PolarHBondContact OG-NH1 2.78Å; S228-S238 WeakPolarHBondContact CA-OG 3.41Å |
| 229 | F | 94.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 155.6 | 172.9 | 63 | -90.1 | 0 | 0 | 0 | 110.4 | P136 I138 L154 I158 I178 R180 I181 I213 V231 R237 S238 | P136-F229 HydrophobicContact CB-CE2 3.58Å; P136-F229 HydrophobicContact CB-CZ 3.8Å; P136-F229 HydrophobicContact CG-CE2 4.25Å; I138-F229 HydrophobicContact CD1-CD1 4.08Å; I138-F229 HydrophobicContact CD1-CE1 4.23Å; I138-F229 HydrophobicContact CG1-CD1 3.95Å; I138-F229 HydrophobicContact CG1-CE1 3.59Å; L154-F229 HydrophobicContact CD1-CD1 4.34Å; I158-F229 HydrophobicContact CB-CZ 4.44Å; I158-F229 HydrophobicContact CG1-CE1 4.44Å; I158-F229 HydrophobicContact CG1-CE2 4.28Å; I158-F229 HydrophobicContact CG1-CZ 3.76Å; I158-F229 HydrophobicContact CG2-CE2 4.33Å; I178-F229 HydrophobicContact CG2-CB 4.46Å; R180-F229 CarbonylContact O-C 3.59Å; R180-F229 VanDerWaalsContact O-CA 3.27Å; R180-F229 WeakPolarHBondContact O-CA 3.37Å; I181-F229 HydrophobicContact CB-CB 4.42Å; I181-F229 HydrophobicContact CG1-CB 4Å; I181-F229 HydrophobicContact CG2-CB 4.42Å; I213-F229 HydrophobicContact CD1-CD1 4.07Å; I213-F229 HydrophobicContact CD1-CD2 4.13Å; I213-F229 HydrophobicContact CD1-CE1 4.23Å; I213-F229 HydrophobicContact CD1-CE2 4.29Å; I213-F229 HydrophobicContact CD1-CG 4.02Å; I213-F229 HydrophobicContact CD1-CZ 4.35Å; F229-V231 HydrophobicContact CD2-CG2 3.71Å; F229-V231 HydrophobicContact CE2-CG2 3.62Å; F229-R237 CarbonylContact O-C 3.51Å; F229-R237 WeakPolarHBondContact O-CA 3.3Å; F229-S238 PolarHBondContact N-OG 2.84Å; F229-S238 PolarHBondContact O-N 3.19Å; F229-S238 PolarHBondContact O-OG 3.19Å |
| 230 | I | 92.9 | Very high | 90.8 | Very high | 18 Ų | 18 | 31.2 Ų | 31.2 | 9% | 0.092 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 128.5 | 175.3 | -60.9 | 179.9 | 0 | 0 | 0 | 108.4 | I178 I179 R180 Y182 G236 R237 | I178-I230 CarbonylContact C-O 3.52Å; I179-I230 HydrophobicContact CD1-CG2 3.91Å; I179-I230 HydrophobicContact CG1-CG2 4.44Å; I179-I230 PolarHBondContact N-O 2.84Å; R180-I230 PolarHBondContact O-N 2.85Å; Y182-I230 HydrophobicContact CE2-CD1 3.6Å; Y182-I230 HydrophobicContact CE2-CG1 3.88Å; I230-G236 WeakPolarHBondContact CA-O 3.35Å; I230-R237 HydrophobicContact CG1-CB 4.07Å; I230-R237 HydrophobicContact CG1-CG 4.28Å |
| 231 | V | 92.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 145.7 | 170.7 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | P136 T160 Q176 I178 F229 Y235 G236 | P136-V231 HydrophobicContact CB-CG2 4.37Å; P136-V231 HydrophobicContact CG-CG2 4.24Å; T160-V231 HydrophobicContact CG2-CG1 3.98Å; Q176-V231 HydrophobicContact CB-CG1 4.1Å; I178-V231 HydrophobicContact CG1-CG2 4.18Å; F229-V231 HydrophobicContact CD2-CG2 3.71Å; F229-V231 HydrophobicContact CE2-CG2 3.62Å; V231-Y235 HydrophobicContact CB-CD2 4.49Å; V231-Y235 HydrophobicContact CG1-CD2 3.71Å; V231-Y235 HydrophobicContact CG1-CG 4.18Å; V231-G236 PolarHBondContact N-O 2.82Å; V231-G236 WeakPolarHBondContact O-CA 3.37Å; V231-G236 PolarHBondContact O-N 2.9Å |
| 232 | D | 90.8 | Very high | 91.8 | Very high | 57 Ų | 57 | 30 Ų | 30 | 31% | 0.305 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49 | 153.9 | 175.6 | -82.7 | -40.1 | 0 | 0 | 0 | 112.7 | Q176 S177 I179 Y235 | Q176-D232 HydrophobicContact CB-CB 3.76Å; Q176-D232 HydrophobicContact CG-CB 3.78Å; S177-D232 PolarHBondContact N-OD2 2.8Å; S177-D232 PolarHBondContact O-N 3.13Å; I179-D232 WeakPolarHBondContact CD1-OD1 3.3Å; I179-D232 WeakPolarHBondContact CG1-OD1 3.41Å; D232-Y235 WeakPolarHBondContact O-CD2 3.35Å; D232-Y235 PolarHBondContact O-N 2.83Å |
| 233 | A | 89.1 | Confident | 91.8 | Very high | 23 Ų | 23 | 33.3 Ų | 33.3 | 19% | 0.19 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | 139.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P35 A45 Q176 | P35-A233 HydrophobicContact CG-CB 3.74Å; A45-A233 HydrophobicContact CB-CB 4.45Å; A45-A233 WeakPolarHBondContact O-CB 3.31Å; Q176-A233 VanDerWaalsContact CG-O 3.28Å; Q176-A233 WeakPolarHBondContact CG-O 3.15Å; Q176-A233 PolarHBondContact NE2-O 3.24Å |
| 234 | P | 91.6 | Very high | 91.9 | Very high | 21 Ų | 21 | 33.3 Ų | 33.3 | 14% | 0.136 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -84.2 | -2.7 | 13.2 | 33.8 | -36.4 | 0 | 0 | 0 | 115.9 | P35 E37 S44 | P35-P234 HydrophobicContact CB-CB 4.07Å; P35-P234 HydrophobicContact CG-CB 3.84Å; E37-P234 HydrophobicContact CB-CB 4.33Å; E37-P234 VanDerWaalsContact O-CB 3.32Å; E37-P234 WeakPolarHBondContact O-CB 3.27Å; S44-P234 PolarHBondContact OG-O 3.4Å |
| 235 | Y | 93.2 | Very high | 91.9 | Very high | 20 Ų | 20 | 35.2 Ų | 35.2 | 8% | 0.078 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -40.4 | -161.2 | -58.4 | -70.8 | 0 | 0 | 0 | 115.8 | S39 V134 P136 F159 R174 Q176 V231 D232 | S39-Y235 WeakPolarHBondContact CB-O 3.38Å; V134-Y235 HydrophobicContact CB-CD1 4.17Å; V134-Y235 WeakPolarHBondContact O-CA 3.49Å; V134-Y235 WeakPolarHBondContact O-CD1 3.31Å; P136-Y235 WeakPolarHBondContact CD-O 3.49Å; F159-Y235 HydrophobicContact CB-CD1 4.45Å; F159-Y235 HydrophobicContact CB-CD2 4.44Å; F159-Y235 HydrophobicContact CB-CE1 4.12Å; F159-Y235 HydrophobicContact CB-CE2 4.1Å; F159-Y235 AromaticContact CD1-CD1 3.97Å; F159-Y235 HydrophobicContact CD1-CD1 3.97Å; F159-Y235 AromaticContact CD1-CE1 3.38Å; F159-Y235 HydrophobicContact CD1-CE1 3.38Å; F159-Y235 AromaticContact CD1-CZ 3.85Å; F159-Y235 AromaticContact CD2-CD1 3.35Å; F159-Y235 HydrophobicContact CD2-CD1 3.35Å; F159-Y235 HydrophobicContact CD2-CD2 4.4Å; F159-Y235 AromaticContact CD2-CE1 3.67Å; F159-Y235 HydrophobicContact CD2-CE1 3.67Å; F159-Y235 AromaticContact CD2-CG 3.77Å; F159-Y235 HydrophobicContact CD2-CG 3.77Å; F159-Y235 AromaticContact CE1-CD1 3.98Å; F159-Y235 HydrophobicContact CE1-CD1 3.98Å; F159-Y235 AromaticContact CE1-CE1 3.54Å; F159-Y235 HydrophobicContact CE1-CE1 3.54Å; F159-Y235 AromaticContact CE2-CD1 3.32Å; F159-Y235 HydrophobicContact CE2-CD1 3.32Å; F159-Y235 AromaticContact CE2-CE1 3.78Å; F159-Y235 HydrophobicContact CE2-CE1 3.78Å; F159-Y235 HydrophobicContact CE2-CG 4.08Å; F159-Y235 AromaticContact CG-CD1 3.67Å; F159-Y235 HydrophobicContact CG-CD1 3.67Å; F159-Y235 HydrophobicContact CG-CD2 4.48Å; F159-Y235 AromaticContact CG-CE1 3.45Å; F159-Y235 HydrophobicContact CG-CE1 3.45Å; F159-Y235 VanDerWaalsContact CG-CE1 3.45Å; F159-Y235 HydrophobicContact CG-CE2 4.29Å; F159-Y235 HydrophobicContact CG-CG 4.2Å; F159-Y235 AromaticContact CG-CZ 3.79Å; F159-Y235 AromaticContact CZ-CD1 3.67Å; F159-Y235 HydrophobicContact CZ-CD1 3.67Å; F159-Y235 AromaticContact CZ-CE1 3.73Å; F159-Y235 HydrophobicContact CZ-CE1 3.73Å; R174-Y235 HydrophobicContact CB-CE2 4.36Å; R174-Y235 HydrophobicContact CG-CE2 4.46Å; R174-Y235 WeakPolarHBondContact CG-OH 2.94Å; Q176-Y235 HydrophobicContact CB-CD2 4.15Å; Q176-Y235 HydrophobicContact CB-CE2 4.12Å; Q176-Y235 HydrophobicContact CG-CD2 4.03Å; Q176-Y235 HydrophobicContact CG-CE2 3.92Å; V231-Y235 HydrophobicContact CB-CD2 4.49Å; V231-Y235 HydrophobicContact CG1-CD2 3.71Å; V231-Y235 HydrophobicContact CG1-CG 4.18Å; D232-Y235 WeakPolarHBondContact O-CD2 3.35Å; D232-Y235 PolarHBondContact O-N 2.83Å |
| 236 | G | 93.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 66 | -150.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | G43 P136 I230 V231 | G43-G236 VanDerWaalsContact C-CA 3.5Å; P136-G236 WeakPolarHBondContact CG-O 3.3Å; I230-G236 WeakPolarHBondContact CA-O 3.35Å; V231-G236 PolarHBondContact N-O 2.82Å; V231-G236 WeakPolarHBondContact O-CA 3.37Å; V231-G236 PolarHBondContact O-N 2.9Å |
| 237 | R | 94.6 | Very high | 91.7 | Very high | 81 Ų | 81 | 32.9 Ų | 32.9 | 31% | 0.306 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 144.7 | -173.2 | -171.9 | 178 | -70.4 | -103 | 4.7 | 112 | S39 E41 G42 S228 F229 I230 | S39-R237 PolarHBondContact OG-O 3.36Å; E41-R237 HydrophobicContact CB-CB 4.27Å; G42-R237 PolarHBondContact O-N 2.91Å; S228-R237 PolarHBondContact OG-NH1 2.78Å; F229-R237 CarbonylContact O-C 3.51Å; F229-R237 WeakPolarHBondContact O-CA 3.3Å; I230-R237 HydrophobicContact CG1-CB 4.07Å; I230-R237 HydrophobicContact CG1-CG 4.28Å |
| 238 | S | 95.7 | Very high | 91.5 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.028 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 133.9 | 177.7 | 64.5 | 0 | 0 | 0 | 0 | 112.8 | P136 S228 F229 | P136-S238 CarbonylContact O-C 3.57Å; P136-S238 VanDerWaalsContact O-CA 3.26Å; P136-S238 WeakPolarHBondContact O-CA 3.35Å; S228-S238 WeakPolarHBondContact CA-OG 3.41Å; F229-S238 PolarHBondContact N-OG 2.84Å; F229-S238 PolarHBondContact O-N 3.19Å; F229-S238 PolarHBondContact O-OG 3.19Å |
| 239 | K | 94 | Very high | 91.2 | Very high | 93 Ų | 93 | 32.7 Ų | 32.7 | 40% | 0.404 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 119.8 | 166.6 | -172.8 | 173 | 179.2 | 176.3 | 0 | 110.8 | E41 T135 P136 T137 I138 L241 | E41-K239 HydrophobicContact CG-CB 3.49Å; E41-K239 VanDerWaalsContact CG-CB 3.49Å; E41-K239 HydrophobicContact CG-CD 4.41Å; E41-K239 HydrophobicContact CG-CG 3.94Å; T135-K239 HydrophobicContact CG2-CB 3.71Å; P136-K239 PolarHBondContact O-N 2.82Å; T137-K239 CarbonylContact C-O 3.53Å; T137-K239 WeakPolarHBondContact CA-O 2.96Å; T137-K239 WeakPolarHBondContact CB-O 3.38Å; T137-K239 HydrophobicContact CG2-CB 4.5Å; I138-K239 PolarHBondContact N-O 3.3Å; K239-L241 PolarHBondContact O-N 2.95Å |
| 240 | T | 92.7 | Very high | 90.8 | Very high | 19 Ų | 19 | 36.5 Ų | 36.5 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 127 | 173.2 | -58.8 | 0 | 0 | 0 | 0 | 110.5 | I138 V244 Y245 M255 | I138-T240 HydrophobicContact CB-CG2 4.36Å; T240-V244 HydrophobicContact CG2-CB 3.56Å; T240-V244 HydrophobicContact CG2-CG1 3.85Å; T240-V244 HydrophobicContact CG2-CG2 4.03Å; T240-Y245 HydrophobicContact CG2-CE2 4.07Å; T240-M255 HydrophobicContact CG2-CE 3.57Å; T240-M255 HydrophobicContact CG2-CG 4.28Å; T240-M255 HydrophobicContact CG2-SD 3.68Å; T240-M255 WeakPolarHBondContact OG1-CE 3.48Å; T240-M255 PolarHBondContact OG1-SD 2.88Å |
| 241 | L | 91.2 | Very high | 90.6 | Very high | 66 Ų | 66 | 36.8 Ų | 36.8 | 35% | 0.346 | 19% | 0.186 | S | C | . | . | P | Polyproline II helix | trans | -66.5 | 142.4 | 169.3 | -67.8 | -167.7 | 0 | 0 | 0 | 109.7 | I138 E139 K239 S243 V244 | I138-L241 PolarHBondContact O-N 2.98Å; E139-L241 HydrophobicContact CB-CD1 3.94Å; E139-L241 HydrophobicContact CG-CD1 3.6Å; E139-L241 HydrophobicContact CG-CG 4.14Å; K239-L241 PolarHBondContact O-N 2.95Å; L241-S243 PolarHBondContact O-N 3.34Å; L241-V244 HydrophobicContact CB-CG2 4.32Å; L241-V244 VanDerWaalsContact O-CB 3.22Å; L241-V244 WeakPolarHBondContact O-CB 3.41Å; L241-V244 WeakPolarHBondContact O-CG2 3.43Å; L241-V244 PolarHBondContact O-N 3.45Å |
| 242 | E | 84.3 | Confident | 90.4 | Very high | 69 Ų | 69 | 42.4 Ų | 42.4 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -63.1 | -30.1 | -173.7 | -177.4 | 150.8 | -138.5 | 0 | 0 | 115 | V244 Y245 L470 K471 | E242-V244 PolarHBondContact O-N 2.86Å; E242-V244 VanDerWaalsContact O-N 3.07Å; E242-Y245 PolarHBondContact O-N 2.74Å; E242-Y245 VanDerWaalsContact O-N 3.1Å; E242-L470 HydrophobicContact CG-CD1 4.31Å; E242-K471 HydrophobicContact CG-CB 4.36Å; E242-K471 HydrophobicContact CG-CG 4.48Å; E242-K471 VanDerWaalsContact OE1-CB 3.27Å; E242-K471 WeakPolarHBondContact OE1-CB 3.42Å; E242-K471 WeakPolarHBondContact OE1-CG 3.26Å; E242-K471 PolarHBondContact OE1-N 3.28Å; E242-K471 WeakPolarHBondContact OE2-CB 3.12Å; E242-K471 WeakPolarHBondContact OE2-CG 3.47Å |
| 243 | S | 83.8 | Confident | 90.4 | Very high | 84 Ų | 84 | 41.9 Ų | 41.9 | 59% | 0.587 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -61.1 | -14.2 | 174 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | L241 R246 | L241-S243 PolarHBondContact O-N 3.34Å; S243-R246 PolarHBondContact O-NH1 2.9Å |
| 244 | V | 91 | Very high | 90.5 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -82.9 | -31.4 | 177.4 | -176.8 | 0 | 0 | 0 | 0 | 111.5 | I138 E139 V141 T240 L241 E242 R246 M255 | I138-V244 HydrophobicContact CG2-CG1 4.19Å; I138-V244 HydrophobicContact CG2-CG2 4.38Å; I138-V244 WeakPolarHBondContact O-CG2 3.49Å; E139-V244 WeakPolarHBondContact O-CG2 3.41Å; V141-V244 HydrophobicContact CB-CG1 4.39Å; V141-V244 HydrophobicContact CG2-CG1 3.74Å; T240-V244 HydrophobicContact CG2-CB 3.56Å; T240-V244 HydrophobicContact CG2-CG1 3.85Å; T240-V244 HydrophobicContact CG2-CG2 4.03Å; L241-V244 HydrophobicContact CB-CG2 4.32Å; L241-V244 VanDerWaalsContact O-CB 3.22Å; L241-V244 WeakPolarHBondContact O-CB 3.41Å; L241-V244 WeakPolarHBondContact O-CG2 3.43Å; L241-V244 PolarHBondContact O-N 3.45Å; E242-V244 PolarHBondContact O-N 2.86Å; E242-V244 VanDerWaalsContact O-N 3.07Å; V244-R246 PolarHBondContact O-NH1 2.92Å; V244-M255 HydrophobicContact CG1-CB 4.13Å; V244-M255 HydrophobicContact CG1-CG 3.98Å; V244-M255 HydrophobicContact CG1-SD 4.44Å |
| 245 | Y | 91.4 | Very high | 90.6 | Very high | 66 Ų | 66 | 40 Ų | 40 | 26% | 0.259 | 20% | 0.197 | S | C | . | . | trans | -65.4 | 141.8 | -179.3 | -70.4 | -69 | 0 | 0 | 0 | 111.2 | N226 T240 E242 F254 M255 L470 | N226-Y245 WeakPolarHBondContact OD1-CE1 3.12Å; T240-Y245 HydrophobicContact CG2-CE2 4.07Å; E242-Y245 PolarHBondContact O-N 2.74Å; E242-Y245 VanDerWaalsContact O-N 3.1Å; Y245-F254 CarbonylContact C-O 3.56Å; Y245-F254 WeakPolarHBondContact CA-O 3.11Å; Y245-M255 HydrophobicContact CD1-CE 4.33Å; Y245-M255 HydrophobicContact CD1-CG 4.2Å; Y245-M255 HydrophobicContact CE1-CE 3.44Å; Y245-M255 VanDerWaalsContact CE1-CE 3.44Å; Y245-M255 HydrophobicContact CE1-CG 4.19Å; Y245-L470 HydrophobicContact CD2-CD1 4.35Å; Y245-L470 HydrophobicContact CG-CD1 4.31Å | ||
| 246 | R | 88.9 | Confident | 90.5 | Very high | 33 Ų | 33 | 39 Ų | 39 | 13% | 0.125 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 165.7 | 167.5 | -62.1 | -64.4 | 178.9 | -87.1 | -0 | 108.1 | V144 S243 V244 T253 F254 E370 | V144-R246 HydrophobicContact CG1-CG 4.15Å; S243-R246 PolarHBondContact O-NH1 2.9Å; V244-R246 PolarHBondContact O-NH1 2.92Å; R246-T253 CarbonylContact O-C 3.57Å; R246-T253 VanDerWaalsContact O-CA 3.28Å; R246-T253 WeakPolarHBondContact O-CA 3.13Å; R246-F254 HydrophobicContact CB-CD1 3.97Å; R246-F254 HydrophobicContact CB-CD2 4.22Å; R246-F254 HydrophobicContact CB-CE1 3.5Å; R246-F254 HydrophobicContact CB-CE2 3.78Å; R246-F254 HydrophobicContact CB-CG 4.31Å; R246-F254 HydrophobicContact CB-CZ 3.4Å; R246-F254 VanDerWaalsContact CB-CZ 3.4Å; R246-F254 HydrophobicContact CG-CE2 4.3Å; R246-F254 HydrophobicContact CG-CZ 4.21Å; R246-F254 PolarHBondContact N-O 3.21Å; R246-F254 PolarHBondContact O-N 2.97Å; R246-E370 IonicContact CZ-OE2 3.21Å; R246-E370 IonicContact NE-OE2 3.75Å; R246-E370 IonicContact NH2-OE1 3.79Å; R246-E370 IonicContact NH2-OE2 2.74Å; R246-E370 PolarHBondContact NH2-OE2 3.29Å |
| 247 | V | 91.3 | Very high | 90.4 | Very high | 6 Ų | 6 | 39 Ų | 39 | 4% | 0.036 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 126.3 | 176.9 | -176 | 0 | 0 | 0 | 0 | 109 | E251 Q252 L465 L470 L986 S992 | V247-E251 HydrophobicContact CG1-CB 4.43Å; V247-Q252 WeakPolarHBondContact CA-O 3.46Å; V247-L465 HydrophobicContact CG1-CD1 3.92Å; V247-L465 HydrophobicContact CG2-CD1 3.92Å; V247-L470 HydrophobicContact CG2-CD2 3.32Å; V247-L986 HydrophobicContact CB-CD2 4.25Å; V247-L986 HydrophobicContact CG1-CD2 3.82Å; V247-L986 HydrophobicContact CG2-CD1 4.05Å; V247-L986 HydrophobicContact CG2-CD2 4.29Å; V247-S992 PolarHBondContact O-OG 3.04Å |
| 248 | D | 90.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | trans | -85.8 | 179.8 | 179.2 | 72 | 11.5 | 0 | 0 | 0 | 112 | S224 N250 E251 Q252 F254 D994 M995 | S224-D248 VanDerWaalsContact CB-OD2 3.24Å; S224-D248 WeakPolarHBondContact CB-OD2 3.45Å; S224-D248 WeakPolarHBondContact OG-CB 3.31Å; S224-D248 PolarHBondContact OG-OD2 3.02Å; D248-N250 PolarHBondContact O-N 3.46Å; D248-N250 VanDerWaalsContact O-N 3.1Å; D248-N250 WeakPolarHBondContact OD1-CA 3.33Å; D248-N250 PolarHBondContact OD1-N 3.48Å; D248-E251 PolarHBondContact O-N 2.79Å; D248-E251 VanDerWaalsContact O-N 3.07Å; D248-E251 PolarHBondContact OD1-N 3Å; D248-Q252 PolarHBondContact N-O 2.72Å; D248-Q252 VanDerWaalsContact N-O 3.07Å; D248-Q252 PolarHBondContact OD1-N 2.84Å; D248-F254 HydrophobicContact CB-CD1 3.74Å; D248-F254 HydrophobicContact CB-CE1 3.69Å; D248-D994 WeakPolarHBondContact CB-OD2 3.39Å; D248-M995 VanDerWaalsContact O-CE 3.26Å; D248-M995 WeakPolarHBondContact O-CE 3.41Å | ||
| 249 | R | 88.1 | Confident | 90 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 5% | 0.053 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.8 | 179.2 | -157.7 | -178.3 | -166.8 | 171.7 | 7.3 | 114.6 | P392 N436 D994 N1011 | R249-P392 HydrophobicContact CB-CB 4.46Å; R249-P392 HydrophobicContact CG-CB 3.67Å; R249-P392 WeakPolarHBondContact O-CB 3.4Å; R249-N436 PolarHBondContact NH2-OD1 2.89Å; R249-D994 PolarHBondContact N-OD2 2.86Å; R249-N1011 PolarHBondContact NH1-OD1 2.91Å |
| 250 | N | 86.7 | Confident | 89.9 | Confident | 82 Ų | 82 | 31 Ų | 31 | 44% | 0.439 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 10.4 | -178.8 | -63.1 | -32.1 | 0 | 0 | 0 | 112.8 | D248 Q252 | D248-N250 PolarHBondContact O-N 3.46Å; D248-N250 VanDerWaalsContact O-N 3.1Å; D248-N250 WeakPolarHBondContact OD1-CA 3.33Å; D248-N250 PolarHBondContact OD1-N 3.48Å; N250-Q252 VanDerWaalsContact C-N 3.27Å; N250-Q252 HydrophobicContact CB-CG 4.39Å; N250-Q252 PolarHBondContact O-N 2.65Å |
| 251 | E | 87.5 | Confident | 89.8 | Confident | 23 Ų | 23 | 30.6 Ų | 30.6 | 11% | 0.107 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 61.4 | 30.3 | -173.6 | -52.6 | -164.3 | 125.9 | 0 | 0 | 114 | V247 D248 T463 S464 L465 | V247-E251 HydrophobicContact CG1-CB 4.43Å; D248-E251 PolarHBondContact O-N 2.79Å; D248-E251 VanDerWaalsContact O-N 3.07Å; D248-E251 PolarHBondContact OD1-N 3Å; E251-T463 WeakPolarHBondContact OE1-CA 3.15Å; E251-T463 VanDerWaalsContact OE1-CB 3.24Å; E251-T463 WeakPolarHBondContact OE1-CB 3.31Å; E251-T463 PolarHBondContact OE1-OG1 3.24Å; E251-S464 VanDerWaalsContact OE2-CB 3.23Å; E251-S464 WeakPolarHBondContact OE2-CB 2.91Å; E251-S464 PolarHBondContact OE2-N 3.27Å; E251-S464 PolarHBondContact OE2-OG 3.33Å; E251-L465 HydrophobicContact CB-CD1 4.44Å; E251-L465 HydrophobicContact CB-CG 4.37Å; E251-L465 WeakPolarHBondContact O-CD1 3.21Å; E251-L465 WeakPolarHBondContact O-CD2 3.39Å |
| 252 | Q | 88.8 | Confident | 89.9 | Confident | 119 Ų | 119 | 27.4 Ų | 27.4 | 56% | 0.556 | 14% | 0.141 | S | C | * | . | trans | -97.3 | 142.4 | 172.9 | -62 | -172 | -10.4 | 0 | 0 | 111.2 | V247 D248 N250 | V247-Q252 WeakPolarHBondContact CA-O 3.46Å; D248-Q252 PolarHBondContact N-O 2.72Å; D248-Q252 VanDerWaalsContact N-O 3.07Å; D248-Q252 PolarHBondContact OD1-N 2.84Å; N250-Q252 VanDerWaalsContact C-N 3.27Å; N250-Q252 HydrophobicContact CB-CG 4.39Å; N250-Q252 PolarHBondContact O-N 2.65Å | ||
| 253 | T | 90.1 | Very high | 90.4 | Very high | 45 Ų | 45 | 26.7 Ų | 26.7 | 28% | 0.276 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 132.2 | 175.9 | 57 | 0 | 0 | 0 | 0 | 111.1 | N226 R246 L465 L470 | N226-T253 PolarHBondContact ND2-O 3.1Å; N226-T253 VanDerWaalsContact ND2-O 3.11Å; N226-T253 PolarHBondContact OD1-O 2.55Å; R246-T253 CarbonylContact O-C 3.57Å; R246-T253 VanDerWaalsContact O-CA 3.28Å; R246-T253 WeakPolarHBondContact O-CA 3.13Å; T253-L465 HydrophobicContact CG2-CD1 4.46Å; T253-L470 HydrophobicContact CG2-CB 4.43Å; T253-L470 HydrophobicContact CG2-CD1 4.23Å; T253-L470 HydrophobicContact CG2-CD2 4Å; T253-L470 HydrophobicContact CG2-CG 4.46Å |
| 254 | F | 92.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 160.1 | -179.5 | 76 | -90.9 | 0 | 0 | 0 | 112.3 | V144 Y145 N226 Y245 R246 D248 Q257 | V144-F254 HydrophobicContact CG1-CE2 4.01Å; Y145-F254 AromaticContact CE1-CE2 3.99Å; Y145-F254 HydrophobicContact CE1-CE2 3.99Å; Y145-F254 AromaticContact CE1-CZ 3.77Å; Y145-F254 HydrophobicContact CE1-CZ 3.77Å; N226-F254 VanDerWaalsContact OD1-CA 3.27Å; N226-F254 WeakPolarHBondContact OD1-CA 3.44Å; Y245-F254 CarbonylContact C-O 3.56Å; Y245-F254 WeakPolarHBondContact CA-O 3.11Å; R246-F254 HydrophobicContact CB-CD1 3.97Å; R246-F254 HydrophobicContact CB-CD2 4.22Å; R246-F254 HydrophobicContact CB-CE1 3.5Å; R246-F254 HydrophobicContact CB-CE2 3.78Å; R246-F254 HydrophobicContact CB-CG 4.31Å; R246-F254 HydrophobicContact CB-CZ 3.4Å; R246-F254 VanDerWaalsContact CB-CZ 3.4Å; R246-F254 HydrophobicContact CG-CE2 4.3Å; R246-F254 HydrophobicContact CG-CZ 4.21Å; R246-F254 PolarHBondContact N-O 3.21Å; R246-F254 PolarHBondContact O-N 2.97Å; D248-F254 HydrophobicContact CB-CD1 3.74Å; D248-F254 HydrophobicContact CB-CE1 3.69Å; F254-Q257 HydrophobicContact CD2-CB 3.9Å; F254-Q257 HydrophobicContact CE2-CB 3.57Å; F254-Q257 HydrophobicContact CZ-CB 4.14Å |
| 255 | M | 92.8 | Very high | 90.7 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 3% | 0.025 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -110.7 | -28.4 | 174.6 | -57.9 | 176.2 | -155.6 | 0 | 0 | 111.9 | V141 V225 N226 I227 T240 V244 Y245 | V141-M255 HydrophobicContact CG2-CB 4.17Å; V225-M255 PolarHBondContact O-N 3.18Å; N226-M255 HydrophobicContact CB-CE 3.88Å; N226-M255 PolarHBondContact OD1-N 2.88Å; I227-M255 HydrophobicContact CB-SD 4.19Å; I227-M255 PolarHBondContact N-SD 2.7Å; I227-M255 WeakPolarHBondContact O-CE 3.02Å; T240-M255 HydrophobicContact CG2-CE 3.57Å; T240-M255 HydrophobicContact CG2-CG 4.28Å; T240-M255 HydrophobicContact CG2-SD 3.68Å; T240-M255 WeakPolarHBondContact OG1-CE 3.48Å; T240-M255 PolarHBondContact OG1-SD 2.88Å; V244-M255 HydrophobicContact CG1-CB 4.13Å; V244-M255 HydrophobicContact CG1-CG 3.98Å; V244-M255 HydrophobicContact CG1-SD 4.44Å; Y245-M255 HydrophobicContact CD1-CE 4.33Å; Y245-M255 HydrophobicContact CD1-CG 4.2Å; Y245-M255 HydrophobicContact CE1-CE 3.44Å; Y245-M255 VanDerWaalsContact CE1-CE 3.44Å; Y245-M255 HydrophobicContact CE1-CG 4.19Å |
| 256 | H | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 145.7 | 175.6 | -175.8 | 82.5 | 0 | 0 | 0 | 110.4 | V141 P143 V144 I152 R217 V225 I227 | V141-H256 HydrophobicContact CG1-CB 4.36Å; P143-H256 PolarHBondContact O-ND1 2.92Å; V144-H256 CarbonylContact O-C 3.56Å; V144-H256 VanDerWaalsContact O-CA 3.27Å; V144-H256 WeakPolarHBondContact O-CA 3.02Å; V144-H256 PolarHBondContact O-ND1 2.57Å; V144-H256 VanDerWaalsContact O-ND1 3.17Å; I152-H256 VanDerWaalsContact CG2-CE1 3.5Å; I152-H256 WeakPolarHBondContact CG2-CE1 3.32Å; R217-H256 PolarHBondContact NH1-CD2 3.1Å; R217-H256 PolarHBondContact NH1-NE2 2.86Å; V225-H256 HydrophobicContact CG2-CB 4.22Å; V225-H256 WeakPolarHBondContact CG2-O 3.16Å; V225-H256 PolarHBondContact N-O 3.12Å; V225-H256 PolarHBondContact O-N 3.06Å; V225-H256 VanDerWaalsContact O-N 3.15Å; I227-H256 HydrophobicContact CD1-CB 3.8Å |
| 257 | Q | 91.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 123 | 178.8 | 177.8 | -173.7 | 86.1 | 0 | 0 | 111.1 | V144 Y145 A146 G223 S224 F254 R330 D994 F1012 | V144-Q257 PolarHBondContact O-N 3.11Å; Y145-Q257 WeakPolarHBondContact CA-O 3.43Å; Y145-Q257 HydrophobicContact CD1-CB 3.84Å; Y145-Q257 HydrophobicContact CD1-CG 4.38Å; Y145-Q257 HydrophobicContact CE1-CB 4.14Å; A146-Q257 PolarHBondContact N-O 2.84Å; G223-Q257 WeakPolarHBondContact O-CA 3.46Å; S224-Q257 PolarHBondContact OG-NE2 2.79Å; F254-Q257 HydrophobicContact CD2-CB 3.9Å; F254-Q257 HydrophobicContact CE2-CB 3.57Å; F254-Q257 HydrophobicContact CZ-CB 4.14Å; Q257-R330 VanDerWaalsContact OE1-NH2 3.09Å; Q257-D994 PolarHBondContact NE2-OD2 3.3Å; Q257-D994 VanDerWaalsContact NE2-OD2 3.12Å; Q257-F1012 HydrophobicContact CG-CD1 4.31Å; Q257-F1012 HydrophobicContact CG-CE1 4.33Å; Q257-F1012 VanDerWaalsContact NE2-CE1 3.33Å |
| 258 | S | 90.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 144.4 | 172.4 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | A146 R217 H221 G223 | A146-S258 VanDerWaalsContact O-CA 3.3Å; A146-S258 WeakPolarHBondContact O-CA 3.46Å; R217-S258 PolarHBondContact NH1-OG 3.32Å; R217-S258 PolarHBondContact NH2-OG 3.05Å; R217-S258 VanDerWaalsContact NH2-OG 3.17Å; H221-S258 WeakPolarHBondContact O-CB 3.44Å; H221-S258 PolarHBondContact O-OG 3.46Å; G223-S258 PolarHBondContact N-O 3.21Å; G223-S258 PolarHBondContact O-N 2.85Å |
| 259 | Y | 89.7 | Confident | 88.6 | Confident | 6 Ų | 6 | 33.3 Ų | 33.3 | 2% | 0.024 | 18% | 0.175 | C | C | . | . | trans | -138.4 | 160.8 | 172.7 | 54.3 | -98.3 | 0 | 0 | 0 | 112.5 | P148 T222 V261 R330 Y367 Y1015 | P148-Y259 WeakPolarHBondContact CD-O 3.45Å; T222-Y259 VanDerWaalsContact CG2-C 3.49Å; Y259-V261 HydrophobicContact CD2-CG2 4.48Å; Y259-V261 HydrophobicContact CE2-CG2 4.34Å; Y259-R330 VanDerWaalsContact CB-NH1 3.29Å; Y259-R330 VanDerWaalsContact CD1-NH1 3.3Å; Y259-Y367 HydrophobicContact CE1-CD2 4.39Å; Y259-Y367 VanDerWaalsContact OH-CD2 3.28Å; Y259-Y367 WeakPolarHBondContact OH-CD2 3.47Å; Y259-Y367 WeakPolarHBondContact OH-CE2 3.12Å; Y259-Y1015 VanDerWaalsContact CE2-CB 3.43Å; Y259-Y1015 HydrophobicContact CE2-CD1 4.43Å; Y259-Y1015 HydrophobicContact CE2-CG 4.11Å | ||
| 260 | S | 91.9 | Very high | 88.5 | Confident | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | trans | -82.6 | 156.8 | 174.6 | 50.9 | 0 | 0 | 0 | 0 | 111.5 | V1009 A1014 Y1015 | S260-V1009 WeakPolarHBondContact OG-CG2 3.15Å; S260-A1014 CarbonylContact O-C 2.95Å; S260-A1014 VanDerWaalsContact O-CA 3.28Å; S260-A1014 WeakPolarHBondContact O-CA 3.48Å; S260-A1014 WeakPolarHBondContact OG-CB 3.38Å; S260-Y1015 PolarHBondContact O-N 3.04Å | ||
| 261 | V | 92.2 | Very high | 88.3 | Confident | 10 Ų | 10 | 28.8 Ų | 28.8 | 6% | 0.061 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 133.5 | -178.1 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | P147 Y259 N263 G282 E283 Y1015 E1017 | P147-V261 HydrophobicContact CB-CG2 3.96Å; P147-V261 HydrophobicContact CG-CG2 4.38Å; Y259-V261 HydrophobicContact CD2-CG2 4.48Å; Y259-V261 HydrophobicContact CE2-CG2 4.34Å; V261-N263 WeakPolarHBondContact CG1-OD1 3.42Å; V261-G282 CarbonylContact O-C 3.59Å; V261-G282 WeakPolarHBondContact O-CA 3.21Å; V261-E283 HydrophobicContact CB-CB 4.32Å; V261-E283 PolarHBondContact N-O 3.03Å; V261-E283 PolarHBondContact O-N 3.38Å; V261-Y1015 CarbonylContact C-O 3.56Å; V261-Y1015 WeakPolarHBondContact CA-O 3.5Å; V261-Y1015 HydrophobicContact CG1-CD1 4.13Å; V261-E1017 HydrophobicContact CG1-CB 4.23Å |
| 262 | I | 93.5 | Very high | 88 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 116.5 | 167.7 | -58.7 | 169.2 | 0 | 0 | 0 | 107.3 | V265 I280 L1007 A1014 Y1015 E1017 | I262-V265 HydrophobicContact CG2-CG2 3.97Å; I262-I280 HydrophobicContact CB-CG2 4.38Å; I262-I280 HydrophobicContact CD1-CG2 4.47Å; I262-I280 HydrophobicContact CG1-CG2 3.98Å; I262-I280 HydrophobicContact CG2-CG2 3.76Å; I262-L1007 HydrophobicContact CD1-CB 3.83Å; I262-L1007 HydrophobicContact CD1-CD2 4.28Å; I262-L1007 HydrophobicContact CG1-CB 4.43Å; I262-L1007 HydrophobicContact CG1-CD2 3.96Å; I262-A1014 HydrophobicContact CD1-CB 4.16Å; I262-A1014 HydrophobicContact CG1-CB 4.08Å; I262-Y1015 PolarHBondContact N-O 3.15Å; I262-E1017 PolarHBondContact O-N 2.76Å |
| 263 | N | 93.1 | Very high | 87.7 | Confident | 53 Ų | 53 | 25.3 Ų | 25.3 | 28% | 0.283 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -40.9 | 178.3 | -64.7 | 1.1 | 0 | 0 | 0 | 110.4 | V261 T281 S1018 | V261-N263 WeakPolarHBondContact CG1-OD1 3.42Å; N263-T281 PolarHBondContact N-O 2.71Å; N263-S1018 VanDerWaalsContact O-CB 3.25Å; N263-S1018 WeakPolarHBondContact O-CB 3.24Å; N263-S1018 PolarHBondContact O-OG 3.25Å |
| 264 | N | 91.8 | Very high | 87.4 | Confident | 79 Ų | 79 | 23.2 Ų | 23.2 | 42% | 0.422 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 153.5 | 178.7 | -164.9 | 24.9 | 0 | 0 | 0 | 112.9 | T281 | N264-T281 WeakPolarHBondContact CB-OG1 3.3Å; N264-T281 PolarHBondContact N-O 3.02Å; N264-T281 VanDerWaalsContact N-O 3.15Å; N264-T281 PolarHBondContact O-N 2.77Å |
| 265 | V | 90.2 | Very high | 87 | Confident | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 115.4 | 170.2 | -180 | 0 | 0 | 0 | 0 | 107.7 | I262 I278 E279 V1005 | I262-V265 HydrophobicContact CG2-CG2 3.97Å; V265-I278 HydrophobicContact CG1-CG2 3.89Å; V265-E279 WeakPolarHBondContact CA-O 3.3Å; V265-V1005 HydrophobicContact CG1-CG2 3.87Å; V265-V1005 HydrophobicContact CG2-CB 4.29Å; V265-V1005 HydrophobicContact CG2-CG1 4.45Å; V265-V1005 HydrophobicContact CG2-CG2 4.36Å |
| 266 | T | 81.5 | Confident | 86.7 | Confident | 63 Ų | 63 | 23 Ų | 23 | 39% | 0.387 | 13% | 0.129 | S | C | . | . | S | Bend | trans | -77.5 | -31.8 | -171.6 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | I268 E279 | T266-I268 PolarHBondContact O-N 2.97Å; T266-E279 PolarHBondContact N-O 2.98Å; T266-E279 VanDerWaalsContact N-O 3.14Å; T266-E279 WeakPolarHBondContact OG1-CB 3.4Å; T266-E279 PolarHBondContact OG1-OE2 2.73Å; T266-E279 VanDerWaalsContact OG1-OE2 3.05Å |
| 267 | S | 74.7 | Confident | 86.5 | Confident | 22 Ų | 22 | 23.1 Ų | 23.1 | 15% | 0.154 | 13% | 0.13 | C | C | . | . | trans | -103.6 | 70.5 | -174.3 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | Q269 S277 H1022 | S267-Q269 PolarHBondContact O-N 3.04Å; S267-Q269 VanDerWaalsContact O-N 3.13Å; S267-S277 WeakPolarHBondContact CB-O 3.43Å; S267-S277 PolarHBondContact OG-O 3.06Å; S267-H1022 PolarHBondContact O-CE1 3.37Å; S267-H1022 PolarHBondContact O-ND1 3.49Å | ||
| 268 | I | 78.4 | Confident | 86.4 | Confident | 91 Ų | 91 | 23.1 Ų | 23.1 | 47% | 0.467 | 13% | 0.13 | S | C | . | . | trans | -65.7 | -9.7 | -179.3 | 53.6 | 159 | 0 | 0 | 0 | 114.5 | T266 H1022 Q1023 | T266-I268 PolarHBondContact O-N 2.97Å; I268-H1022 CarbonylContact O-C 3.46Å; I268-H1022 WeakPolarHBondContact O-CA 3.22Å; I268-Q1023 PolarHBondContact O-N 3.24Å | ||
| 269 | Q | 83.2 | Confident | 86.4 | Confident | 82 Ų | 82 | 26.1 Ų | 26.1 | 38% | 0.383 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 128.4 | -179.1 | -60.1 | -174.8 | -17.2 | 0 | 0 | 111 | S267 Q1023 I1025 | S267-Q269 PolarHBondContact O-N 3.04Å; S267-Q269 VanDerWaalsContact O-N 3.13Å; Q269-Q1023 VanDerWaalsContact CA-O 3.29Å; Q269-Q1023 WeakPolarHBondContact CA-O 3.48Å; Q269-Q1023 HydrophobicContact CG-CB 4.19Å; Q269-I1025 HydrophobicContact CB-CD1 4.1Å; Q269-I1025 HydrophobicContact CB-CG1 4.41Å |
| 270 | T | 85.4 | Confident | 86.6 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 169.5 | 172.3 | 62.4 | 0 | 0 | 0 | 0 | 110.8 | I278 L314 H1022 Q1023 F1024 I1025 K1109 | T270-I278 HydrophobicContact CG2-CG1 4.48Å; T270-L314 HydrophobicContact CG2-CD1 4.07Å; T270-L314 WeakPolarHBondContact OG1-CD1 3.35Å; T270-H1022 VanDerWaalsContact CG2-CE1 3.5Å; T270-H1022 WeakPolarHBondContact CG2-CE1 3.01Å; T270-H1022 PolarHBondContact N-NE2 2.79Å; T270-H1022 PolarHBondContact OG1-NE2 2.88Å; T270-Q1023 PolarHBondContact N-O 2.81Å; T270-Q1023 VanDerWaalsContact N-O 3.08Å; T270-F1024 WeakPolarHBondContact O-CA 3.07Å; T270-I1025 WeakPolarHBondContact O-CG1 3.4Å; T270-I1025 PolarHBondContact O-N 2.96Å; T270-K1109 CarbonylContact C-O 3.59Å; T270-K1109 VanDerWaalsContact CA-O 3.28Å; T270-K1109 WeakPolarHBondContact CA-O 3.34Å; T270-K1109 WeakPolarHBondContact CB-O 3.26Å |
| 271 | S | 83 | Confident | 86.6 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 139.6 | 176.4 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | S273 G274 I1025 K1109 F1111 | S271-S273 PolarHBondContact O-N 3.44Å; S271-S273 VanDerWaalsContact O-N 3.17Å; S271-S273 WeakPolarHBondContact OG-CB 3.48Å; S271-S273 PolarHBondContact OG-N 2.81Å; S271-G274 PolarHBondContact O-N 2.84Å; S271-G274 VanDerWaalsContact O-N 3.09Å; S271-I1025 WeakPolarHBondContact CA-O 3.04Å; S271-K1109 PolarHBondContact N-O 2.98Å; S271-F1111 WeakPolarHBondContact CB-O 3.48Å; S271-F1111 PolarHBondContact OG-O 3.4Å |
| 272 | S | 81.5 | Confident | 86.7 | Confident | 34 Ų | 34 | 27.8 Ų | 27.8 | 24% | 0.238 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -13.5 | 165.2 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | I317 I1025 D1026 N1113 | S272-I317 WeakPolarHBondContact O-CB 3.01Å; S272-I1025 PolarHBondContact N-O 3.3Å; S272-D1026 WeakPolarHBondContact CB-OD1 3.38Å; S272-D1026 PolarHBondContact OG-OD1 3.2Å; S272-N1113 PolarHBondContact OG-OD1 3.4Å |
| 273 | S | 81.5 | Confident | 86.5 | Confident | 36 Ų | 36 | 31.7 Ų | 31.7 | 25% | 0.252 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -2.1 | 174.9 | -62.8 | 0 | 0 | 0 | 0 | 114.2 | S271 N1113 | S271-S273 PolarHBondContact O-N 3.44Å; S271-S273 VanDerWaalsContact O-N 3.17Å; S271-S273 WeakPolarHBondContact OG-CB 3.48Å; S271-S273 PolarHBondContact OG-N 2.81Å; S273-N1113 PolarHBondContact OG-OD1 3.48Å |
| 274 | G | 85 | Confident | 86.3 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | 81.9 | -166.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | S271 G276 G1110 F1111 | S271-G274 PolarHBondContact O-N 2.84Å; S271-G274 VanDerWaalsContact O-N 3.09Å; G274-G276 VanDerWaalsContact C-N 3.28Å; G274-G276 PolarHBondContact O-N 3.16Å; G274-G1110 CarbonylContact O-C 3.55Å; G274-G1110 VanDerWaalsContact O-CA 3.3Å; G274-G1110 WeakPolarHBondContact O-CA 3.43Å; G274-F1111 WeakPolarHBondContact O-CD2 3.37Å; G274-F1111 PolarHBondContact O-N 2.88Å | ||
| 275 | G | 83.7 | Confident | 86 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | 77.3 | -2.8 | 180 | 0 | 0 | 0 | 0 | 0 | 115.9 | L314 R1105 G1110 | G275-L314 WeakPolarHBondContact CA-O 3.39Å; G275-L314 PolarHBondContact N-O 2.9Å; G275-R1105 PolarHBondContact O-NE 2.58Å; G275-R1105 PolarHBondContact O-NH2 3.18Å; G275-G1110 VanDerWaalsContact C-CA 3.42Å | ||
| 276 | G | 86 | Confident | 85.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -63 | 138.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | G274 L314 G1110 | G274-G276 VanDerWaalsContact C-N 3.28Å; G274-G276 PolarHBondContact O-N 3.16Å; G276-L314 PolarHBondContact O-N 3.42Å; G276-G1110 VanDerWaalsContact N-CA 3.3Å | ||
| 277 | S | 87.3 | Confident | 84.5 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.028 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 131.2 | 166.9 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | S267 Q311 C312 I1107 | S267-S277 WeakPolarHBondContact CB-O 3.43Å; S267-S277 PolarHBondContact OG-O 3.06Å; S277-Q311 PolarHBondContact OG-NE2 2.67Å; S277-C312 CarbonylContact C-O 3.43Å; S277-C312 WeakPolarHBondContact CA-O 3.41Å; S277-I1107 WeakPolarHBondContact CB-O 3.36Å; S277-I1107 PolarHBondContact N-O 3Å |
| 278 | I | 89.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 129.2 | 176.2 | -60.5 | -179.8 | 0 | 0 | 0 | 108.1 | V265 T270 I280 V295 Q311 C312 L314 | V265-I278 HydrophobicContact CG1-CG2 3.89Å; T270-I278 HydrophobicContact CG2-CG1 4.48Å; I278-I280 HydrophobicContact CG2-CG1 4.15Å; I278-V295 HydrophobicContact CD1-CB 4.5Å; I278-V295 HydrophobicContact CD1-CG2 3.36Å; I278-Q311 WeakPolarHBondContact O-CA 3.34Å; I278-C312 PolarHBondContact N-O 3.42Å; I278-C312 PolarHBondContact O-N 2.79Å; I278-L314 HydrophobicContact CD1-CD1 3.81Å; I278-L314 HydrophobicContact CD1-CD2 4.18Å; I278-L314 HydrophobicContact CD1-CG 3.81Å; I278-L314 HydrophobicContact CG1-CD1 4.47Å; I278-L314 HydrophobicContact CG1-CG 4.49Å |
| 279 | E | 91.2 | Very high | 83.6 | Confident | 64 Ų | 64 | 36 Ų | 36 | 30% | 0.299 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 132.6 | 173.8 | -38.9 | 180 | 126.5 | 0 | 0 | 110 | V265 T266 Y309 I310 | V265-E279 WeakPolarHBondContact CA-O 3.3Å; T266-E279 PolarHBondContact N-O 2.98Å; T266-E279 VanDerWaalsContact N-O 3.14Å; T266-E279 WeakPolarHBondContact OG1-CB 3.4Å; T266-E279 PolarHBondContact OG1-OE2 2.73Å; T266-E279 VanDerWaalsContact OG1-OE2 3.05Å; E279-Y309 HydrophobicContact CB-CE2 3.77Å; E279-Y309 HydrophobicContact CG-CE2 4.28Å; E279-Y309 WeakPolarHBondContact CG-OH 3.38Å; E279-Y309 PolarHBondContact OE1-OH 2.75Å; E279-I310 CarbonylContact C-O 3.55Å; E279-I310 WeakPolarHBondContact CA-O 3.47Å |
| 280 | I | 92.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 117.8 | -177.9 | -54.4 | 174.3 | 0 | 0 | 0 | 106.5 | I262 I278 I293 Y309 I310 V1005 | I262-I280 HydrophobicContact CB-CG2 4.38Å; I262-I280 HydrophobicContact CD1-CG2 4.47Å; I262-I280 HydrophobicContact CG1-CG2 3.98Å; I262-I280 HydrophobicContact CG2-CG2 3.76Å; I278-I280 HydrophobicContact CG2-CG1 4.15Å; I280-I293 HydrophobicContact CD1-CG2 3.92Å; I280-Y309 CarbonylContact O-C 3.57Å; I280-Y309 WeakPolarHBondContact O-CA 3.4Å; I280-I310 HydrophobicContact CB-CB 4.28Å; I280-I310 PolarHBondContact N-O 2.87Å; I280-I310 PolarHBondContact O-N 3.23Å; I280-V1005 HydrophobicContact CD1-CG1 3.7Å; I280-V1005 HydrophobicContact CG1-CG1 4.25Å |
| 281 | T | 93.7 | Very high | 83.8 | Confident | 48 Ų | 48 | 38.5 Ų | 38.5 | 29% | 0.294 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 143.3 | 169.2 | 59.4 | 0 | 0 | 0 | 0 | 109.7 | N263 N264 T308 Y309 | N263-T281 PolarHBondContact N-O 2.71Å; N264-T281 WeakPolarHBondContact CB-OG1 3.3Å; N264-T281 PolarHBondContact N-O 3.02Å; N264-T281 VanDerWaalsContact N-O 3.15Å; N264-T281 PolarHBondContact O-N 2.77Å; T281-T308 WeakPolarHBondContact CA-O 3.15Å; T281-Y309 HydrophobicContact CG2-CD2 4.05Å |
| 282 | G | 92.8 | Very high | 84.2 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.9 | -162.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | V261 T308 | V261-G282 CarbonylContact O-C 3.59Å; V261-G282 WeakPolarHBondContact O-CA 3.21Å; G282-T308 PolarHBondContact N-O 3.37Å; G282-T308 WeakPolarHBondContact O-CA 3.43Å; G282-T308 WeakPolarHBondContact O-CB 3.21Å |
| 283 | E | 90.5 | Very high | 84.8 | Confident | 82 Ų | 82 | 40.3 Ų | 40.3 | 38% | 0.383 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 144.4 | -179.3 | -56 | -174.3 | 174.2 | 0 | 0 | 110.8 | V261 L285 | V261-E283 HydrophobicContact CB-CB 4.32Å; V261-E283 PolarHBondContact N-O 3.03Å; V261-E283 PolarHBondContact O-N 3.38Å; E283-L285 VanDerWaalsContact C-N 3.31Å; E283-L285 PolarHBondContact O-N 3.08Å |
| 284 | Y | 88.1 | Confident | 85.3 | Confident | 68 Ų | 68 | 39.6 Ų | 39.6 | 27% | 0.267 | 20% | 0.196 | S | C | . | . | trans | 60.8 | 34.8 | 177.1 | -44.8 | -76.1 | 0 | 0 | 0 | 114.1 | P147 P148 N286 S307 | P147-Y284 HydrophobicContact CB-CD2 4.27Å; P147-Y284 HydrophobicContact CB-CE2 3.99Å; P148-Y284 HydrophobicContact CB-CD1 3.74Å; P148-Y284 HydrophobicContact CB-CE1 3.66Å; P148-Y284 HydrophobicContact CB-CE2 4.43Å; P148-Y284 HydrophobicContact CB-CG 4.18Å; P148-Y284 HydrophobicContact CG-CD1 3.69Å; P148-Y284 HydrophobicContact CG-CD2 4.05Å; P148-Y284 HydrophobicContact CG-CE1 4.1Å; P148-Y284 HydrophobicContact CG-CE2 4.42Å; P148-Y284 HydrophobicContact CG-CG 3.67Å; P148-Y284 VanDerWaalsContact O-CZ 3.22Å; P148-Y284 PolarHBondContact O-OH 2.88Å; Y284-N286 PolarHBondContact O-N 2.97Å; Y284-N286 VanDerWaalsContact O-N 3.07Å; Y284-S307 PolarHBondContact N-O 3.37Å | ||
| 285 | L | 86.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -81.4 | 34.3 | 178.9 | -54.2 | -175.6 | 0 | 0 | 0 | 113.1 | E283 N306 S307 I310 L1007 | E283-L285 VanDerWaalsContact C-N 3.31Å; E283-L285 PolarHBondContact O-N 3.08Å; L285-N306 VanDerWaalsContact CB-O 3.29Å; L285-N306 WeakPolarHBondContact CB-O 2.96Å; L285-N306 VanDerWaalsContact O-O 3.08Å; L285-S307 WeakPolarHBondContact CB-O 3.39Å; L285-S307 PolarHBondContact N-O 3.07Å; L285-I310 HydrophobicContact CB-CD1 3.97Å; L285-I310 HydrophobicContact CB-CG1 4.19Å; L285-I310 HydrophobicContact CD1-CD1 3.97Å; L285-I310 HydrophobicContact CD1-CG1 3.98Å; L285-I310 HydrophobicContact CD2-CD1 4.15Å; L285-I310 HydrophobicContact CG-CD1 4.26Å; L285-L1007 HydrophobicContact CD2-CD2 3.53Å | ||
| 286 | N | 72.9 | Confident | 85.8 | Confident | 23 Ų | 23 | 39.6 Ų | 39.6 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | trans | -42.5 | 131.1 | -164.6 | -172.2 | 22.7 | 0 | 0 | 0 | 115.7 | H221 Y284 Q288 N289 | H221-N286 PolarHBondContact CD2-ND2 3.33Å; H221-N286 PolarHBondContact NE2-ND2 2.73Å; Y284-N286 PolarHBondContact O-N 2.97Å; Y284-N286 VanDerWaalsContact O-N 3.07Å; N286-Q288 PolarHBondContact O-N 2.72Å; N286-N289 PolarHBondContact ND2-ND2 3.17Å; N286-N289 PolarHBondContact ND2-OD1 3.31Å | ||
| 287 | Y | 65.9 | Low | 85.9 | Confident | 148 Ų | 148 | 44.4 Ų | 44.4 | 58% | 0.58 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -19.3 | -173.8 | 81.7 | -88.1 | 0 | 0 | 0 | 115 | N289 V305 | Y287-N289 PolarHBondContact O-N 3.09Å; Y287-V305 WeakPolarHBondContact CB-O 3.32Å |
| 288 | Q | 68.9 | Low | 86 | Confident | 131 Ų | 131 | 45.1 Ų | 45.1 | 61% | 0.612 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -3.7 | -178.3 | -65.2 | -171.9 | -25.1 | 0 | 0 | 113.3 | N286 | N286-Q288 PolarHBondContact O-N 2.72Š|
| 289 | N | 67.3 | Low | 86.1 | Confident | 33 Ų | 33 | 50.9 Ų | 50.9 | 18% | 0.176 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -108.8 | 158.9 | -165.7 | -72.4 | 4.3 | 0 | 0 | 0 | 111.2 | N286 Y287 V291 V1009 D1010 | N286-N289 PolarHBondContact ND2-ND2 3.17Å; N286-N289 PolarHBondContact ND2-OD1 3.31Å; Y287-N289 PolarHBondContact O-N 3.09Å; N289-V291 PolarHBondContact O-N 3.22Å; N289-V1009 HydrophobicContact CB-CG1 4.01Å; N289-D1010 WeakPolarHBondContact CA-OD1 3.34Å; N289-D1010 WeakPolarHBondContact CB-OD1 3.35Å; N289-D1010 VanDerWaalsContact CG-OD1 3.25Å; N289-D1010 PolarHBondContact ND2-OD2 3.02Å; N289-D1010 PolarHBondContact OD1-OD2 2.74Å |
| 290 | D | 81.9 | Confident | 86.2 | Confident | 119 Ų | 119 | 47.9 Ų | 47.9 | 64% | 0.636 | 23% | 0.23 | S | C | * | . | trans | -75.3 | 118 | 175.5 | -167.4 | 9.8 | 0 | 0 | 0 | 109.6 | D1010 | D290-D1010 PolarHBondContact N-OD1 3.24Å; D290-D1010 PolarHBondContact O-N 2.99Å | ||
| 291 | V | 89.9 | Confident | 86.1 | Confident | 15 Ų | 15 | 49.8 Ų | 49.8 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 117.6 | -175.6 | 176.9 | 0 | 0 | 0 | 0 | 109.7 | N289 I293 V305 I310 L1007 Y1008 | N289-V291 PolarHBondContact O-N 3.22Å; V291-I293 HydrophobicContact CG1-CD1 4.07Å; V291-I293 HydrophobicContact CG1-CG1 3.91Å; V291-V305 HydrophobicContact CG2-CG1 4.07Å; V291-I310 HydrophobicContact CG1-CD1 4.03Å; V291-L1007 HydrophobicContact CG1-CD1 3.74Å; V291-Y1008 WeakPolarHBondContact CA-O 3.35Å |
| 292 | T | 91.3 | Very high | 85.9 | Confident | 70 Ų | 70 | 50.4 Ų | 50.4 | 43% | 0.429 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 125.2 | 175.3 | -57.5 | 0 | 0 | 0 | 0 | 109.9 | Y1008 | T292-Y1008 PolarHBondContact N-O 3.06Å; T292-Y1008 PolarHBondContact O-N 2.91Å |
| 293 | I | 93.5 | Very high | 85.6 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 138.5 | -178.9 | -48.4 | 152.6 | 0 | 0 | 0 | 108.3 | I280 V291 C300 P302 I310 C312 V1005 R1006 L1007 | I280-I293 HydrophobicContact CD1-CG2 3.92Å; V291-I293 HydrophobicContact CG1-CD1 4.07Å; V291-I293 HydrophobicContact CG1-CG1 3.91Å; I293-C300 HydrophobicContact CB-CB 4.01Å; I293-C300 HydrophobicContact CG2-CB 3.86Å; I293-C300 PolarHBondContact O-N 2.85Å; I293-P302 HydrophobicContact CD1-CB 4.15Å; I293-I310 HydrophobicContact CD1-CG2 3.42Å; I293-I310 VanDerWaalsContact CD1-CG2 3.42Å; I293-C312 HydrophobicContact CD1-CB 3.61Å; I293-V1005 HydrophobicContact CG2-CG1 4.29Å; I293-R1006 WeakPolarHBondContact CA-O 3.29Å; I293-L1007 HydrophobicContact CG1-CD1 3.76Å |
| 294 | S | 92.6 | Very high | 85.5 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 15% | 0.147 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 152.5 | 173.4 | 54 | 0 | 0 | 0 | 0 | 110.4 | T298 V1005 R1006 | S294-T298 CarbonylContact C-O 3.54Å; S294-T298 WeakPolarHBondContact CA-O 3.45Å; S294-T298 WeakPolarHBondContact CB-O 3.3Å; S294-V1005 CarbonylContact O-C 3.5Å; S294-V1005 WeakPolarHBondContact O-CA 3.41Å; S294-R1006 PolarHBondContact N-O 2.89Å; S294-R1006 PolarHBondContact O-N 3.48Å |
| 295 | V | 91.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 109.4 | 173.2 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | I278 Y297 T298 L314 P1003 Q1004 V1005 H1022 F1024 | I278-V295 HydrophobicContact CD1-CB 4.5Å; I278-V295 HydrophobicContact CD1-CG2 3.36Å; V295-Y297 PolarHBondContact O-N 2.92Å; V295-Y297 VanDerWaalsContact O-N 3.11Å; V295-T298 PolarHBondContact N-O 2.9Å; V295-T298 PolarHBondContact O-N 2.8Å; V295-L314 HydrophobicContact CB-CD2 3.69Å; V295-L314 HydrophobicContact CG2-CD2 3.67Å; V295-P1003 HydrophobicContact CG1-CB 4.29Å; V295-Q1004 VanDerWaalsContact CA-O 3.31Å; V295-Q1004 WeakPolarHBondContact CA-O 3.5Å; V295-V1005 HydrophobicContact CG2-CB 4.48Å; V295-V1005 HydrophobicContact CG2-CG2 3.94Å; V295-H1022 HydrophobicContact CG1-CB 3.5Å; V295-H1022 VanDerWaalsContact CG1-CB 3.5Å; V295-H1022 VanDerWaalsContact CG1-CD2 3.44Å; V295-H1022 WeakPolarHBondContact CG1-CD2 3.39Å; V295-F1024 HydrophobicContact CB-CZ 4.23Å; V295-F1024 HydrophobicContact CG1-CE1 4.27Å; V295-F1024 HydrophobicContact CG1-CE2 4.43Å; V295-F1024 HydrophobicContact CG1-CZ 3.71Å |
| 296 | G | 88.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | -112.6 | -162.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q1004 | G296-Q1004 PolarHBondContact N-O 2.68Š|
| 297 | Y | 88.3 | Confident | 86.3 | Confident | 101 Ų | 101 | 57.7 Ų | 57.7 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 2.1 | 177 | -60 | -81.7 | 0 | 0 | 0 | 113.2 | V295 P323 Y326 P327 I414 D438 | V295-Y297 PolarHBondContact O-N 2.92Å; V295-Y297 VanDerWaalsContact O-N 3.11Å; Y297-P323 HydrophobicContact CD2-CG 4.02Å; Y297-P323 HydrophobicContact CE2-CB 4.04Å; Y297-P323 HydrophobicContact CE2-CG 3.57Å; Y297-Y326 HydrophobicContact CD2-CD1 4.15Å; Y297-Y326 HydrophobicContact CD2-CE1 4.19Å; Y297-Y326 AromaticContact CE2-CD1 3.82Å; Y297-Y326 HydrophobicContact CE2-CD1 3.82Å; Y297-Y326 HydrophobicContact CE2-CE1 4.15Å; Y297-P327 HydrophobicContact CE1-CG 4.35Å; Y297-P327 WeakPolarHBondContact OH-CD 3.29Å; Y297-I414 HydrophobicContact CE1-CD1 3.95Å; Y297-I414 WeakPolarHBondContact OH-CD1 3.25Å; Y297-D438 WeakPolarHBondContact CE1-OD2 3.44Å |
| 298 | T | 88.9 | Confident | 87.5 | Confident | 19 Ų | 19 | 54.6 Ų | 54.6 | 12% | 0.117 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 128.1 | 178.4 | -50.8 | 0 | 0 | 0 | 0 | 109.2 | S294 V295 L314 D315 I317 | S294-T298 CarbonylContact C-O 3.54Å; S294-T298 WeakPolarHBondContact CA-O 3.45Å; S294-T298 WeakPolarHBondContact CB-O 3.3Å; V295-T298 PolarHBondContact N-O 2.9Å; V295-T298 PolarHBondContact O-N 2.8Å; T298-L314 HydrophobicContact CG2-CD2 4.13Å; T298-D315 HydrophobicContact CG2-CB 4.44Å; T298-D315 WeakPolarHBondContact CG2-O 3.32Å; T298-I317 HydrophobicContact CG2-CG1 3.79Å |
| 299 | K | 91.5 | Very high | 88.6 | Confident | 122 Ų | 122 | 50.7 Ų | 50.7 | 53% | 0.53 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 143.3 | 175.8 | -179.5 | -179.3 | 174.3 | -165.3 | 0 | 110.5 | D315 | K299-D315 WeakPolarHBondContact CB-OD2 3.44Å; K299-D315 WeakPolarHBondContact CD-OD2 3.36Å; K299-D315 WeakPolarHBondContact O-CB 3.23Å; K299-D315 PolarHBondContact O-N 2.99Å |
| 300 | C | 92.5 | Very high | 89.8 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 111.8 | 172.7 | -161.7 | 0 | 0 | 0 | 0 | 108.6 | I293 C312 I313 L314 | I293-C300 HydrophobicContact CB-CB 4.01Å; I293-C300 HydrophobicContact CG2-CB 3.86Å; I293-C300 PolarHBondContact O-N 2.85Å; C300-C312 HydrophobicContact CB-CB 3.95Å; C300-C312 WeakPolarHBondContact CB-SG 3.48Å; C300-C312 WeakPolarHBondContact SG-CB 3.47Å; C300-C312 CovalentContact SG-SG 2.04Å; C300-C312 PolarHBondContact SG-SG 2.76Å; C300-I313 CarbonylContact C-O 3.38Å; C300-I313 WeakPolarHBondContact CA-O 3.39Å; C300-L314 HydrophobicContact CB-CD2 4.12Å |
| 301 | S | 91.2 | Very high | 90.2 | Very high | 40 Ų | 40 | 45.9 Ų | 45.9 | 28% | 0.28 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 120.8 | -175 | -67.4 | 0 | 0 | 0 | 0 | 110.2 | C312 I313 D315 | S301-C312 CarbonylContact O-C 3.49Å; S301-C312 VanDerWaalsContact O-CA 3.23Å; S301-C312 WeakPolarHBondContact O-CA 3.35Å; S301-C312 WeakPolarHBondContact O-CB 3.29Å; S301-I313 PolarHBondContact N-O 3.18Å; S301-I313 PolarHBondContact O-N 2.76Å; S301-D315 PolarHBondContact OG-OD1 3.02Å |
| 302 | P | 89.7 | Confident | 90.3 | Very high | 60 Ų | 60 | 45.2 Ų | 45.2 | 39% | 0.39 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 133.4 | -176.3 | 26.8 | -33.3 | 0 | 0 | 0 | 111.6 | I293 V305 | I293-P302 HydrophobicContact CD1-CB 4.15Å; P302-V305 HydrophobicContact CB-CG2 3.83Å |
| 303 | T | 87.5 | Confident | 90.2 | Very high | 76 Ų | 76 | 44.1 Ų | 44.1 | 47% | 0.466 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | -30.2 | 176.1 | 53.6 | 0 | 0 | 0 | 0 | 112.6 | Q311 I313 | T303-Q311 PolarHBondContact N-O 2.89Å; T303-Q311 PolarHBondContact OG1-O 2.83Å; T303-I313 HydrophobicContact CG2-CD1 3.61Å; T303-I313 HydrophobicContact CG2-CG1 3.76Å |
| 304 | L | 87.6 | Confident | 90.1 | Very high | 77 Ų | 77 | 44.2 Ų | 44.2 | 40% | 0.403 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 132.3 | 175.4 | -176.8 | 63.6 | 0 | 0 | 0 | 109.1 | Y309 I310 Q311 | L304-Y309 HydrophobicContact CD2-CD1 4.14Å; L304-Y309 HydrophobicContact CD2-CE1 3.92Å; L304-I310 CarbonylContact O-C 3.57Å; L304-I310 WeakPolarHBondContact O-CA 3.28Å; L304-Q311 HydrophobicContact CB-CB 4.07Å; L304-Q311 PolarHBondContact N-O 3.08Å; L304-Q311 PolarHBondContact O-N 3.33Å |
| 305 | V | 89.1 | Confident | 89.7 | Confident | 34 Ų | 34 | 46 Ų | 46 | 21% | 0.206 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 116.9 | 179.1 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | Y287 V291 P302 I310 | Y287-V305 WeakPolarHBondContact CB-O 3.32Å; V291-V305 HydrophobicContact CG2-CG1 4.07Å; P302-V305 HydrophobicContact CB-CG2 3.83Å; V305-I310 HydrophobicContact CG1-CG1 4.18Å; V305-I310 HydrophobicContact CG2-CG2 4.43Å |
| 306 | N | 88.7 | Confident | 89.1 | Confident | 77 Ų | 77 | 50.9 Ų | 50.9 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 165.9 | 173.1 | -70.8 | -23 | 0 | 0 | 0 | 109.3 | L285 T308 Y309 | L285-N306 VanDerWaalsContact CB-O 3.29Å; L285-N306 WeakPolarHBondContact CB-O 2.96Å; L285-N306 VanDerWaalsContact O-O 3.08Å; N306-T308 PolarHBondContact O-N 3.17Å; N306-Y309 WeakPolarHBondContact CA-O 3.5Å; N306-Y309 PolarHBondContact N-O 3.12Å; N306-Y309 PolarHBondContact O-N 3.06Å |
| 307 | S | 86.6 | Confident | 88.6 | Confident | 67 Ų | 67 | 52.8 Ų | 52.8 | 47% | 0.469 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -16.5 | -179.1 | 56.6 | 0 | 0 | 0 | 0 | 115.6 | Y284 L285 | Y284-S307 PolarHBondContact N-O 3.37Å; L285-S307 WeakPolarHBondContact CB-O 3.39Å; L285-S307 PolarHBondContact N-O 3.07Å |
| 308 | T | 90.7 | Very high | 87.6 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130 | -3.1 | -179.8 | 57.6 | 0 | 0 | 0 | 0 | 114.6 | T281 G282 N306 | T281-T308 WeakPolarHBondContact CA-O 3.15Å; G282-T308 PolarHBondContact N-O 3.37Å; G282-T308 WeakPolarHBondContact O-CA 3.43Å; G282-T308 WeakPolarHBondContact O-CB 3.21Å; N306-T308 PolarHBondContact O-N 3.17Å |
| 309 | Y | 91.7 | Very high | 86 | Confident | 49 Ų | 49 | 64.6 Ų | 64.6 | 19% | 0.192 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 131.9 | -174.6 | 176.8 | -88 | 0 | 0 | 0 | 111 | E279 I280 T281 L304 N306 Q311 | E279-Y309 HydrophobicContact CB-CE2 3.77Å; E279-Y309 HydrophobicContact CG-CE2 4.28Å; E279-Y309 WeakPolarHBondContact CG-OH 3.38Å; E279-Y309 PolarHBondContact OE1-OH 2.75Å; I280-Y309 CarbonylContact O-C 3.57Å; I280-Y309 WeakPolarHBondContact O-CA 3.4Å; T281-Y309 HydrophobicContact CG2-CD2 4.05Å; L304-Y309 HydrophobicContact CD2-CD1 4.14Å; L304-Y309 HydrophobicContact CD2-CE1 3.92Å; N306-Y309 WeakPolarHBondContact CA-O 3.5Å; N306-Y309 PolarHBondContact N-O 3.12Å; N306-Y309 PolarHBondContact O-N 3.06Å; Y309-Q311 HydrophobicContact CE1-CB 3.8Å |
| 310 | I | 92.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 134.2 | 171.6 | -64.3 | 167.6 | 0 | 0 | 0 | 108.8 | E279 I280 L285 V291 I293 L304 V305 L1007 | E279-I310 CarbonylContact C-O 3.55Å; E279-I310 WeakPolarHBondContact CA-O 3.47Å; I280-I310 HydrophobicContact CB-CB 4.28Å; I280-I310 PolarHBondContact N-O 2.87Å; I280-I310 PolarHBondContact O-N 3.23Å; L285-I310 HydrophobicContact CB-CD1 3.97Å; L285-I310 HydrophobicContact CB-CG1 4.19Å; L285-I310 HydrophobicContact CD1-CD1 3.97Å; L285-I310 HydrophobicContact CD1-CG1 3.98Å; L285-I310 HydrophobicContact CD2-CD1 4.15Å; L285-I310 HydrophobicContact CG-CD1 4.26Å; V291-I310 HydrophobicContact CG1-CD1 4.03Å; I293-I310 HydrophobicContact CD1-CG2 3.42Å; I293-I310 VanDerWaalsContact CD1-CG2 3.42Å; L304-I310 CarbonylContact O-C 3.57Å; L304-I310 WeakPolarHBondContact O-CA 3.28Å; V305-I310 HydrophobicContact CG1-CG1 4.18Å; V305-I310 HydrophobicContact CG2-CG2 4.43Å; I310-L1007 HydrophobicContact CD1-CD1 3.75Å; I310-L1007 HydrophobicContact CD1-CD2 4.14Å |
| 311 | Q | 90.7 | Very high | 83.3 | Confident | 52 Ų | 52 | 69.1 Ų | 69.1 | 24% | 0.243 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.9 | 165.6 | -169 | 179.5 | 11.8 | 0 | 0 | 109.1 | S277 I278 T303 L304 Y309 | S277-Q311 PolarHBondContact OG-NE2 2.67Å; I278-Q311 WeakPolarHBondContact O-CA 3.34Å; T303-Q311 PolarHBondContact N-O 2.89Å; T303-Q311 PolarHBondContact OG1-O 2.83Å; L304-Q311 HydrophobicContact CB-CB 4.07Å; L304-Q311 PolarHBondContact N-O 3.08Å; L304-Q311 PolarHBondContact O-N 3.33Å; Y309-Q311 HydrophobicContact CE1-CB 3.8Å |
| 312 | C | 92.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 157.3 | 174.6 | 73.3 | 0 | 0 | 0 | 0 | 111.8 | S277 I278 I293 C300 S301 | S277-C312 CarbonylContact C-O 3.43Å; S277-C312 WeakPolarHBondContact CA-O 3.41Å; I278-C312 PolarHBondContact N-O 3.42Å; I278-C312 PolarHBondContact O-N 2.79Å; I293-C312 HydrophobicContact CD1-CB 3.61Å; C300-C312 HydrophobicContact CB-CB 3.95Å; C300-C312 WeakPolarHBondContact CB-SG 3.48Å; C300-C312 WeakPolarHBondContact SG-CB 3.47Å; C300-C312 CovalentContact SG-SG 2.04Å; C300-C312 PolarHBondContact SG-SG 2.76Å; S301-C312 CarbonylContact O-C 3.49Å; S301-C312 VanDerWaalsContact O-CA 3.23Å; S301-C312 WeakPolarHBondContact O-CA 3.35Å; S301-C312 WeakPolarHBondContact O-CB 3.29Å |
| 313 | I | 89.5 | Confident | 81.8 | Confident | 48 Ų | 48 | 73.4 Ų | 73.4 | 25% | 0.246 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128 | 175.3 | -61.3 | 173.8 | 0 | 0 | 0 | 108.5 | C300 S301 T303 D315 R1105 | C300-I313 CarbonylContact C-O 3.38Å; C300-I313 WeakPolarHBondContact CA-O 3.39Å; S301-I313 PolarHBondContact N-O 3.18Å; S301-I313 PolarHBondContact O-N 2.76Å; T303-I313 HydrophobicContact CG2-CD1 3.61Å; T303-I313 HydrophobicContact CG2-CG1 3.76Å; I313-D315 PolarHBondContact O-N 2.83Å; I313-R1105 VanDerWaalsContact CG2-NH2 3.35Å |
| 314 | L | 90.2 | Very high | 81.5 | Confident | 3 Ų | 3 | 76.6 Ų | 76.6 | 2% | 0.016 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 130.3 | 173.3 | -79.6 | 168.6 | 0 | 0 | 0 | 111.3 | T270 G275 G276 I278 V295 T298 C300 F1024 | T270-L314 HydrophobicContact CG2-CD1 4.07Å; T270-L314 WeakPolarHBondContact OG1-CD1 3.35Å; G275-L314 WeakPolarHBondContact CA-O 3.39Å; G275-L314 PolarHBondContact N-O 2.9Å; G276-L314 PolarHBondContact O-N 3.42Å; I278-L314 HydrophobicContact CD1-CD1 3.81Å; I278-L314 HydrophobicContact CD1-CD2 4.18Å; I278-L314 HydrophobicContact CD1-CG 3.81Å; I278-L314 HydrophobicContact CG1-CD1 4.47Å; I278-L314 HydrophobicContact CG1-CG 4.49Å; V295-L314 HydrophobicContact CB-CD2 3.69Å; V295-L314 HydrophobicContact CG2-CD2 3.67Å; T298-L314 HydrophobicContact CG2-CD2 4.13Å; C300-L314 HydrophobicContact CB-CD2 4.12Å; L314-F1024 HydrophobicContact CD1-CE1 4.05Å |
| 315 | D | 85.8 | Confident | 81.4 | Confident | 58 Ų | 58 | 73.3 Ų | 73.3 | 31% | 0.31 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 166.9 | 168.7 | -65.2 | -3.3 | 0 | 0 | 0 | 109.7 | T298 K299 S301 I313 I317 | T298-D315 HydrophobicContact CG2-CB 4.44Å; T298-D315 WeakPolarHBondContact CG2-O 3.32Å; K299-D315 WeakPolarHBondContact CB-OD2 3.44Å; K299-D315 WeakPolarHBondContact CD-OD2 3.36Å; K299-D315 WeakPolarHBondContact O-CB 3.23Å; K299-D315 PolarHBondContact O-N 2.99Å; S301-D315 PolarHBondContact OG-OD1 3.02Å; I313-D315 PolarHBondContact O-N 2.83Å; D315-I317 PolarHBondContact O-N 2.85Å |
| 316 | Q | 78.3 | Confident | 81.5 | Confident | 103 Ų | 103 | 72.4 Ų | 72.4 | 48% | 0.481 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 138.5 | 176.8 | -71.7 | -174.6 | -16.2 | 0 | 0 | 110.6 | ||
| 317 | I | 76.7 | Confident | 81.7 | Confident | 40 Ų | 40 | 68.8 Ų | 68.8 | 21% | 0.205 | 35% | 0.35 | C | S | . | . | trans | -91.3 | 109.4 | 179.2 | -57.8 | 176.2 | 0 | 0 | 0 | 107.7 | S272 T298 D315 F1024 | S272-I317 WeakPolarHBondContact O-CB 3.01Å; T298-I317 HydrophobicContact CG2-CG1 3.79Å; D315-I317 PolarHBondContact O-N 2.85Å; I317-F1024 HydrophobicContact CD1-CD1 3.45Å; I317-F1024 VanDerWaalsContact CD1-CD1 3.45Å; I317-F1024 HydrophobicContact CD1-CE1 3.32Å; I317-F1024 HydrophobicContact CD1-CE2 4.4Å; I317-F1024 HydrophobicContact CD1-CG 4.08Å; I317-F1024 HydrophobicContact CD1-CZ 3.83Å | ||
| 318 | E | 67.6 | Low | 81.9 | Confident | 160 Ų | 160 | 65.6 Ų | 65.6 | 75% | 0.748 | 33% | 0.328 | S | S | * | . | trans | -68.9 | 136.8 | 168.2 | -65.5 | -176.9 | -178.3 | 0 | 0 | 109.3 | T320 | E318-T320 VanDerWaalsContact C-N 3.28Å; E318-T320 PolarHBondContact O-N 2.82Å; E318-T320 PolarHBondContact O-OG1 2.89Å | ||
| 319 | Q | 56.4 | Low | 82 | Confident | 207 Ų | 207 | 61.9 Ų | 61.9 | 97% | 0.967 | 31% | 0.305 | S | S | * | . | trans | -62.3 | 88.6 | 177.4 | -71.2 | -174.8 | 2.5 | 0 | 0 | 110.3 | ||||
| 320 | T | 59.9 | Low | 82.1 | Confident | 100 Ų | 100 | 59.8 Ų | 59.8 | 61% | 0.613 | 30% | 0.296 | S | S | * | . | trans | -104.3 | 148.8 | 174.3 | 45.2 | 0 | 0 | 0 | 0 | 109.6 | E318 K322 | E318-T320 VanDerWaalsContact C-N 3.28Å; E318-T320 PolarHBondContact O-N 2.82Å; E318-T320 PolarHBondContact O-OG1 2.89Å; T320-K322 PolarHBondContact O-N 3.17Å | ||
| 321 | P | 66.7 | Low | 81.9 | Confident | 118 Ų | 118 | 59.8 Ų | 59.8 | 77% | 0.766 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 132.6 | 175.8 | -21.4 | 31 | 0 | 0 | 0 | 110.5 | P323 | P321-P323 VanDerWaalsContact O-CD 3.32Å; P321-P323 WeakPolarHBondContact O-CD 3.11Å; P321-P323 VanDerWaalsContact O-N 3.13Å |
| 322 | K | 71.6 | Confident | 81.9 | Confident | 172 Ų | 172 | 57.5 Ų | 57.5 | 75% | 0.748 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -58 | 118.3 | 177.9 | -172.8 | 177.9 | 179.6 | 176.5 | 0 | 109.5 | T320 | T320-K322 PolarHBondContact O-N 3.17Š|
| 323 | P | 77.2 | Confident | 81.7 | Confident | 19 Ų | 19 | 57.8 Ų | 57.8 | 12% | 0.123 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 155.1 | 179.9 | 26.7 | -32.6 | 0 | 0 | 0 | 110.8 | Y297 P321 F325 Y326 I414 | Y297-P323 HydrophobicContact CD2-CG 4.02Å; Y297-P323 HydrophobicContact CE2-CB 4.04Å; Y297-P323 HydrophobicContact CE2-CG 3.57Å; P321-P323 VanDerWaalsContact O-CD 3.32Å; P321-P323 WeakPolarHBondContact O-CD 3.11Å; P321-P323 VanDerWaalsContact O-N 3.13Å; P323-F325 VanDerWaalsContact C-N 3.25Å; P323-F325 PolarHBondContact O-N 3.37Å; P323-Y326 WeakPolarHBondContact CD-OH 3.43Å; P323-Y326 HydrophobicContact CG-CD1 4.01Å; P323-Y326 HydrophobicContact CG-CE1 3.43Å; P323-Y326 VanDerWaalsContact CG-CE1 3.43Å; P323-Y326 HydrophobicContact CG-CE2 4.14Å; P323-I414 HydrophobicContact CB-CG2 3.68Å |
| 324 | K | 81.5 | Confident | 81.7 | Confident | 142 Ų | 142 | 55.5 Ų | 55.5 | 62% | 0.617 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -66.7 | -28.1 | -178.5 | -169.8 | 175.5 | -179.2 | 177.8 | 0 | 112.8 | ||
| 325 | F | 86.7 | Confident | 81.7 | Confident | 8 Ų | 8 | 56.5 Ų | 56.5 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | trans | -154.6 | 163.6 | 178.1 | 49.8 | -93.7 | 0 | 0 | 0 | 110.4 | P323 I388 I414 L440 K999 H1000 | P323-F325 VanDerWaalsContact C-N 3.25Å; P323-F325 PolarHBondContact O-N 3.37Å; F325-I388 HydrophobicContact CD2-CD1 3.91Å; F325-I388 HydrophobicContact CE2-CD1 4.13Å; F325-I388 HydrophobicContact CE2-CG1 4.35Å; F325-I414 HydrophobicContact CD2-CG1 4.33Å; F325-I414 HydrophobicContact CD2-CG2 4.13Å; F325-I414 WeakPolarHBondContact CE1-O 3.44Å; F325-I414 HydrophobicContact CE2-CB 3.99Å; F325-I414 HydrophobicContact CE2-CG1 3.65Å; F325-I414 HydrophobicContact CE2-CG2 4.01Å; F325-I414 HydrophobicContact CZ-CB 4.12Å; F325-I414 HydrophobicContact CZ-CG1 4.18Å; F325-I414 HydrophobicContact CZ-CG2 4.28Å; F325-I414 WeakPolarHBondContact O-CG2 3.38Å; F325-L440 HydrophobicContact CD1-CD2 4.12Å; F325-L440 HydrophobicContact CD2-CD2 4.46Å; F325-L440 HydrophobicContact CE1-CB 4.47Å; F325-L440 HydrophobicContact CE1-CD2 3.55Å; F325-L440 HydrophobicContact CE2-CB 3.77Å; F325-L440 HydrophobicContact CE2-CD2 3.92Å; F325-L440 HydrophobicContact CE2-CG 4.27Å; F325-L440 HydrophobicContact CZ-CB 3.49Å; F325-L440 VanDerWaalsContact CZ-CB 3.49Å; F325-L440 HydrophobicContact CZ-CD2 3.37Å; F325-L440 HydrophobicContact CZ-CG 3.99Å; F325-K999 HydrophobicContact CB-CG 4.25Å; F325-K999 HydrophobicContact CG-CG 4.5Å; F325-H1000 CarbonylContact C-O 3.47Å; F325-H1000 WeakPolarHBondContact CA-O 3.05Å; F325-H1000 WeakPolarHBondContact CB-O 3.29Å | ||
| 326 | Y | 90.4 | Very high | 81.8 | Confident | 16 Ų | 16 | 53.9 Ų | 53.9 | 6% | 0.063 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 139.5 | -179.7 | -63.8 | -91.8 | 0 | 0 | 0 | 110.9 | Y297 P323 H1000 V1002 P1003 | Y297-Y326 HydrophobicContact CD2-CD1 4.15Å; Y297-Y326 HydrophobicContact CD2-CE1 4.19Å; Y297-Y326 AromaticContact CE2-CD1 3.82Å; Y297-Y326 HydrophobicContact CE2-CD1 3.82Å; Y297-Y326 HydrophobicContact CE2-CE1 4.15Å; P323-Y326 WeakPolarHBondContact CD-OH 3.43Å; P323-Y326 HydrophobicContact CG-CD1 4.01Å; P323-Y326 HydrophobicContact CG-CE1 3.43Å; P323-Y326 VanDerWaalsContact CG-CE1 3.43Å; P323-Y326 HydrophobicContact CG-CE2 4.14Å; Y326-H1000 PolarHBondContact N-O 2.82Å; Y326-H1000 PolarHBondContact O-N 2.73Å; Y326-V1002 WeakPolarHBondContact CB-O 3.33Å; Y326-P1003 HydrophobicContact CD1-CB 4.14Å; Y326-P1003 HydrophobicContact CD1-CG 4.25Å; Y326-P1003 HydrophobicContact CD2-CG 4.37Å; Y326-P1003 HydrophobicContact CE1-CB 4.1Å; Y326-P1003 HydrophobicContact CE1-CG 3.79Å; Y326-P1003 HydrophobicContact CE2-CG 3.95Å; Y326-P1003 HydrophobicContact CG-CB 4.43Å; Y326-P1003 HydrophobicContact CG-CG 4.5Å |
| 327 | P | 92.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 132.6 | 170.5 | 29.4 | -34.9 | 0 | 0 | 0 | 111 | Y297 I388 A997 Q1004 R1006 | Y297-P327 HydrophobicContact CE1-CG 4.35Å; Y297-P327 WeakPolarHBondContact OH-CD 3.29Å; P327-I388 HydrophobicContact CB-CD1 3.84Å; P327-I388 HydrophobicContact CB-CG2 4.37Å; P327-A997 HydrophobicContact CB-CB 4.28Å; P327-Q1004 WeakPolarHBondContact O-CB 3.23Å; P327-R1006 VanDerWaalsContact O-CD 3.27Å; P327-R1006 WeakPolarHBondContact O-CD 3.38Å; P327-R1006 WeakPolarHBondContact O-CG 3.41Å |
| 328 | G | 92.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | -156.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | T998 R1006 | G328-T998 WeakPolarHBondContact CA-OG1 3.36Å; G328-T998 PolarHBondContact N-O 3.28Å; G328-R1006 PolarHBondContact O-NE 3.36Å |
| 329 | N | 92.9 | Very high | 83.7 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | -172.6 | 173.2 | -77.7 | -65.6 | 0 | 0 | 0 | 110.7 | G331 A997 T998 V1005 L1007 A1014 C1016 C1020 | N329-G331 PolarHBondContact O-N 2.9Å; N329-A997 VanDerWaalsContact O-CA 3.31Å; N329-A997 WeakPolarHBondContact O-CA 3.4Å; N329-T998 PolarHBondContact O-N 3.23Å; N329-V1005 PolarHBondContact ND2-O 3.07Å; N329-L1007 PolarHBondContact OD1-N 3.1Å; N329-A1014 VanDerWaalsContact CB-O 3.32Å; N329-A1014 WeakPolarHBondContact CB-O 3.36Å; N329-C1016 HydrophobicContact CB-CB 4.21Å; N329-C1020 PolarHBondContact ND2-SG 2.77Å; N329-C1020 VanDerWaalsContact ND2-SG 3.42Å |
| 330 | R | 91.8 | Very high | 85.2 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.019 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 139.5 | -173.7 | 78.7 | -177.9 | -68 | 140.5 | 1.7 | 111.5 | Q257 Y259 A996 S1013 A1014 | Q257-R330 VanDerWaalsContact OE1-NH2 3.09Å; Y259-R330 VanDerWaalsContact CB-NH1 3.29Å; Y259-R330 VanDerWaalsContact CD1-NH1 3.3Å; R330-A996 WeakPolarHBondContact CA-O 3.18Å; R330-S1013 PolarHBondContact N-OG 2.87Å; R330-A1014 VanDerWaalsContact CG-O 3.3Å; R330-A1014 WeakPolarHBondContact CG-O 3.18Å; R330-A1014 PolarHBondContact N-O 3.18Å |
| 331 | G | 89.2 | Confident | 86.4 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | trans | 131.4 | -168.2 | 169 | 0 | 0 | 0 | 0 | 0 | 114.6 | N329 L366 A996 A997 T998 | N329-G331 PolarHBondContact O-N 2.9Å; G331-L366 CarbonylContact C-O 3.57Å; G331-L366 WeakPolarHBondContact CA-O 3.5Å; G331-A996 PolarHBondContact N-O 3.01Å; G331-A996 CarbonylContact O-C 3.54Å; G331-A997 CarbonylContact O-C 3.55Å; G331-T998 PolarHBondContact O-N 3.02Å | ||
| 332 | L | 89.9 | Confident | 87.4 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 160.1 | 176.6 | 67.8 | 144.4 | 0 | 0 | 0 | 110.9 | V334 Y365 L366 P369 L385 M387 | L332-V334 HydrophobicContact CD1-CG2 3.66Å; L332-V334 HydrophobicContact CG-CG2 4.22Å; L332-Y365 WeakPolarHBondContact O-CA 3.48Å; L332-L366 HydrophobicContact CD2-CB 3.98Å; L332-L366 WeakPolarHBondContact CD2-O 3.32Å; L332-L366 HydrophobicContact CG-CB 4.22Å; L332-L366 PolarHBondContact N-O 2.04Å; L332-L366 PolarHBondContact O-N 3.48Å; L332-P369 HydrophobicContact CD2-CB 3.85Å; L332-P369 HydrophobicContact CD2-CG 3.82Å; L332-L385 HydrophobicContact CD1-CB 4.17Å; L332-L385 HydrophobicContact CD1-CD2 4.09Å; L332-M387 HydrophobicContact CB-CB 3.79Å |
| 333 | T | 89.4 | Confident | 88.1 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 128.6 | 173.7 | -49.8 | 0 | 0 | 0 | 0 | 109.4 | Q335 E363 Y365 L385 S386 | T333-Q335 HydrophobicContact CG2-CG 4.15Å; T333-E363 HydrophobicContact CG2-CG 4.14Å; T333-E363 WeakPolarHBondContact CG2-OE1 3.48Å; T333-Y365 HydrophobicContact CG2-CE1 4.16Å; T333-L385 WeakPolarHBondContact O-CA 2.93Å; T333-S386 PolarHBondContact N-O 3.46Å; T333-S386 PolarHBondContact O-N 2.8Å |
| 334 | V | 88.7 | Confident | 88.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 123 | 174.7 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | L332 E363 A364 L366 I372 L376 I383 R384 L385 | L332-V334 HydrophobicContact CD1-CG2 3.66Å; L332-V334 HydrophobicContact CG-CG2 4.22Å; V334-E363 CarbonylContact O-C 3.57Å; V334-E363 VanDerWaalsContact O-CA 3.31Å; V334-E363 WeakPolarHBondContact O-CA 3.33Å; V334-A364 PolarHBondContact N-O 2.81Å; V334-A364 PolarHBondContact O-N 2.87Å; V334-L366 HydrophobicContact CB-CD1 4.24Å; V334-L366 HydrophobicContact CG2-CD1 3.34Å; V334-L366 HydrophobicContact CG2-CG 3.85Å; V334-I372 HydrophobicContact CG1-CG2 4.19Å; V334-L376 HydrophobicContact CB-CD2 3.92Å; V334-L376 HydrophobicContact CG1-CD2 3.32Å; V334-I383 HydrophobicContact CG1-CD1 3.77Å; V334-I383 HydrophobicContact CG1-CG1 3.92Å; V334-R384 WeakPolarHBondContact CA-O 3.46Å; V334-L385 HydrophobicContact CB-CD2 3.94Å; V334-L385 HydrophobicContact CG1-CD2 3.56Å; V334-L385 HydrophobicContact CG2-CD2 3.37Å |
| 335 | Q | 89.9 | Confident | 89.2 | Confident | 23 Ų | 23 | 30.5 Ų | 30.5 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.8 | 178.9 | -65.2 | 173.8 | -36.9 | 0 | 0 | 109 | T333 W337 L361 K362 E363 I383 R384 | T333-Q335 HydrophobicContact CG2-CG 4.15Å; Q335-W337 HydrophobicContact CB-CE3 4.32Å; Q335-W337 HydrophobicContact CB-CH2 3.32Å; Q335-W337 HydrophobicContact CB-CZ2 4.13Å; Q335-W337 HydrophobicContact CB-CZ3 3.44Å; Q335-W337 VanDerWaalsContact CB-CZ3 3.44Å; Q335-W337 HydrophobicContact CG-CH2 4.18Å; Q335-L361 HydrophobicContact CB-CD1 3.67Å; Q335-L361 HydrophobicContact CG-CD1 4.05Å; Q335-K362 CarbonylContact C-O 3.57Å; Q335-K362 WeakPolarHBondContact CA-O 3.2Å; Q335-E363 HydrophobicContact CG-CB 4.36Å; Q335-E363 HydrophobicContact CG-CG 3.96Å; Q335-E363 PolarHBondContact NE2-OE1 3.18Å; Q335-I383 CarbonylContact O-C 3.44Å; Q335-I383 WeakPolarHBondContact O-CA 3.44Å; Q335-R384 HydrophobicContact CB-CB 4.39Å; Q335-R384 PolarHBondContact N-O 2.92Å; Q335-R384 PolarHBondContact O-N 2.89Å |
| 336 | F | 88.4 | Confident | 89.4 | Confident | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.8 | 179.7 | 178 | -103 | 0 | 0 | 0 | 110.9 | K362 L376 F377 I382 I383 I447 | F336-K362 PolarHBondContact N-O 2.79Å; F336-K362 PolarHBondContact O-N 2.8Å; F336-L376 VanDerWaalsContact CD1-O 3.32Å; F336-L376 WeakPolarHBondContact CD1-O 3.33Å; F336-F377 HydrophobicContact CD1-CB 4.11Å; F336-F377 HydrophobicContact CD2-CB 3.91Å; F336-F377 HydrophobicContact CE1-CB 4.01Å; F336-F377 HydrophobicContact CE2-CB 3.81Å; F336-F377 HydrophobicContact CG-CB 4.05Å; F336-F377 HydrophobicContact CZ-CB 3.87Å; F336-I382 WeakPolarHBondContact CA-O 3.43Å; F336-I382 WeakPolarHBondContact CD2-O 3.4Å; F336-I383 HydrophobicContact CD2-CB 4.22Å; F336-I447 HydrophobicContact CE2-CB 4.48Å; F336-I447 HydrophobicContact CE2-CG1 4.22Å |
| 337 | W | 90 | Very high | 89.5 | Confident | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.015 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 114.7 | 175 | -64.7 | -98.1 | 0 | 0 | 0 | 109.5 | Q335 D339 L340 F353 T359 L361 G381 I382 R384 | Q335-W337 HydrophobicContact CB-CE3 4.32Å; Q335-W337 HydrophobicContact CB-CH2 3.32Å; Q335-W337 HydrophobicContact CB-CZ2 4.13Å; Q335-W337 HydrophobicContact CB-CZ3 3.44Å; Q335-W337 VanDerWaalsContact CB-CZ3 3.44Å; Q335-W337 HydrophobicContact CG-CH2 4.18Å; W337-D339 VanDerWaalsContact C-N 3.34Å; W337-L340 HydrophobicContact CB-CB 3.94Å; W337-L340 HydrophobicContact CB-CD1 3.54Å; W337-L340 HydrophobicContact CB-CG 3.61Å; W337-L340 HydrophobicContact CD2-CD1 3.8Å; W337-L340 HydrophobicContact CE3-CD1 4.38Å; W337-L340 HydrophobicContact CG-CD1 3.41Å; W337-L340 VanDerWaalsContact CG-CD1 3.41Å; W337-L340 HydrophobicContact CG-CG 3.92Å; W337-F353 HydrophobicContact CD2-CD1 4.31Å; W337-F353 HydrophobicContact CD2-CE1 4.25Å; W337-F353 HydrophobicContact CE3-CD1 4.07Å; W337-F353 AromaticContact CE3-CE1 3.76Å; W337-F353 HydrophobicContact CE3-CE1 3.76Å; W337-F353 HydrophobicContact CH2-CB 4.44Å; W337-F353 AromaticContact CH2-CD1 3.27Å; W337-F353 HydrophobicContact CH2-CD1 3.27Å; W337-F353 AromaticContact CH2-CE1 3.76Å; W337-F353 HydrophobicContact CH2-CE1 3.76Å; W337-F353 HydrophobicContact CH2-CG 4.11Å; W337-F353 AromaticContact CZ2-CD1 3.55Å; W337-F353 HydrophobicContact CZ2-CD1 3.55Å; W337-F353 HydrophobicContact CZ2-CE1 4.25Å; W337-F353 HydrophobicContact CZ2-CG 4.45Å; W337-F353 AromaticContact CZ3-CD1 3.56Å; W337-F353 HydrophobicContact CZ3-CD1 3.56Å; W337-F353 AromaticContact CZ3-CE1 3.5Å; W337-F353 HydrophobicContact CZ3-CE1 3.5Å; W337-F353 VanDerWaalsContact CZ3-CE1 3.5Å; W337-T359 PolarHBondContact NE1-OG1 2.96Å; W337-L361 HydrophobicContact CD2-CD1 4.17Å; W337-L361 HydrophobicContact CH2-CD1 4.18Å; W337-L361 HydrophobicContact CZ2-CD1 3.69Å; W337-L361 HydrophobicContact CZ2-CD2 4.48Å; W337-G381 VanDerWaalsContact O-CA 3.27Å; W337-G381 WeakPolarHBondContact O-CA 3.27Å; W337-I382 PolarHBondContact N-O 2.61Å; W337-I382 PolarHBondContact O-N 2.99Å; W337-R384 HydrophobicContact CH2-CB 4.23Å; W337-R384 HydrophobicContact CZ3-CB 3.7Å |
| 338 | S | 86.6 | Confident | 89.4 | Confident | 61 Ų | 61 | 35.8 Ų | 35.8 | 43% | 0.427 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -76.3 | -21.6 | 176.7 | 34.5 | 0 | 0 | 0 | 0 | 114.1 | T360 | S338-T360 PolarHBondContact OG-OG1 2.81Š|
| 339 | D | 85.3 | Confident | 89.4 | Confident | 69 Ų | 69 | 38.2 Ų | 38.2 | 37% | 0.369 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -93.2 | -23.7 | -175 | 49.2 | -25.3 | 0 | 0 | 0 | 113.8 | W337 T359 T360 | W337-D339 VanDerWaalsContact C-N 3.34Å; D339-T359 VanDerWaalsContact OD2-CA 3.29Å; D339-T359 WeakPolarHBondContact OD2-CA 3.41Å; D339-T359 VanDerWaalsContact OD2-CB 3.31Å; D339-T359 WeakPolarHBondContact OD2-CB 3.47Å; D339-T359 VanDerWaalsContact OD2-CG2 3.29Å; D339-T359 WeakPolarHBondContact OD2-CG2 3.25Å; D339-T360 VanDerWaalsContact CG-OG1 3.25Å; D339-T360 PolarHBondContact OD1-OG1 3.35Å; D339-T360 PolarHBondContact OD2-N 2.79Å |
| 340 | L | 88 | Confident | 89.2 | Confident | 35 Ų | 35 | 45.9 Ų | 45.9 | 18% | 0.183 | 26% | 0.257 | C | S | . | . | trans | -73 | 139.6 | 176.6 | -64.1 | 179.6 | 0 | 0 | 0 | 111.6 | W337 I351 F353 I356 T359 I382 | W337-L340 HydrophobicContact CB-CB 3.94Å; W337-L340 HydrophobicContact CB-CD1 3.54Å; W337-L340 HydrophobicContact CB-CG 3.61Å; W337-L340 HydrophobicContact CD2-CD1 3.8Å; W337-L340 HydrophobicContact CE3-CD1 4.38Å; W337-L340 HydrophobicContact CG-CD1 3.41Å; W337-L340 VanDerWaalsContact CG-CD1 3.41Å; W337-L340 HydrophobicContact CG-CG 3.92Å; L340-I351 HydrophobicContact CD1-CG2 4.48Å; L340-F353 HydrophobicContact CD1-CD1 4.49Å; L340-F353 HydrophobicContact CD1-CE1 4.02Å; L340-I356 HydrophobicContact CD1-CD1 3.73Å; L340-I356 HydrophobicContact CD2-CD1 4.37Å; L340-T359 HydrophobicContact CD2-CG2 4.45Å; L340-I382 HydrophobicContact CB-CB 4.29Å; L340-I382 HydrophobicContact CB-CD1 3.62Å; L340-I382 HydrophobicContact CB-CG1 3.97Å | ||
| 341 | K | 84.8 | Confident | 89 | Confident | 194 Ų | 194 | 47.2 Ų | 47.2 | 84% | 0.843 | 26% | 0.264 | S | S | * | . | trans | -125.7 | 137.2 | 176.1 | -64 | -171.4 | -179.8 | -178 | 0 | 110.4 | ||||
| 342 | A | 88.3 | Confident | 88.9 | Confident | 18 Ų | 18 | 51.2 Ų | 51.2 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | trans | -139.4 | 144.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | D347 L348 I382 I446 | A342-D347 HydrophobicContact CB-CB 3.74Å; A342-L348 HydrophobicContact CB-CD2 3.86Å; A342-L348 HydrophobicContact CB-CG 4.11Å; A342-I382 HydrophobicContact CB-CD1 3.79Å; A342-I446 HydrophobicContact CB-CD1 3.81Å; A342-I446 HydrophobicContact CB-CG1 3.96Å; A342-I446 VanDerWaalsContact O-CD1 3.29Å; A342-I446 WeakPolarHBondContact O-CD1 3.45Å | ||
| 343 | S | 87.2 | Confident | 88.7 | Confident | 104 Ų | 104 | 51.7 Ų | 51.7 | 73% | 0.727 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -110.7 | -20.9 | 179.3 | 68.5 | 0 | 0 | 0 | 0 | 112.6 | D347 | S343-D347 WeakPolarHBondContact CA-OD2 3.09Å; S343-D347 WeakPolarHBondContact CB-OD2 3.04Å; S343-D347 PolarHBondContact N-OD2 3.07Å; S343-D347 PolarHBondContact OG-OD2 2.97Å |
| 344 | S | 91.2 | Very high | 88.2 | Confident | 37 Ų | 37 | 57.7 Ų | 57.7 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -136.6 | 167 | -176 | 82.6 | 0 | 0 | 0 | 0 | 112.4 | S346 D347 L348 | S344-S346 VanDerWaalsContact C-N 3.25Å; S344-S346 PolarHBondContact O-N 3.48Å; S344-S346 WeakPolarHBondContact OG-CB 3.2Å; S344-S346 PolarHBondContact OG-N 2.83Å; S344-D347 PolarHBondContact N-OD2 3.07Å; S344-D347 PolarHBondContact O-N 3.15Å; S344-D347 PolarHBondContact OG-N 2.8Å; S344-D347 VanDerWaalsContact OG-N 3.11Å; S344-D347 PolarHBondContact OG-OD1 3.13Å; S344-L348 PolarHBondContact O-N 3.05Å |
| 345 | V | 89.8 | Confident | 87.7 | Confident | 47 Ų | 47 | 65 Ų | 65 | 29% | 0.285 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.9 | -37.2 | 170.5 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | D347 L348 L349 T406 A408 | V345-D347 VanDerWaalsContact C-N 3.31Å; V345-D347 PolarHBondContact O-N 2.93Å; V345-L348 WeakPolarHBondContact O-CB 3.37Å; V345-L348 PolarHBondContact O-N 2.8Å; V345-L349 HydrophobicContact CG1-CD1 4.11Å; V345-L349 WeakPolarHBondContact O-CG 3.38Å; V345-L349 PolarHBondContact O-N 2.77Å; V345-T406 HydrophobicContact CG2-CG2 3.7Å; V345-A408 HydrophobicContact CG1-CB 4.01Å |
| 346 | S | 91.7 | Very high | 87.2 | Confident | 77 Ų | 77 | 66.2 Ų | 66.2 | 54% | 0.538 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 177.2 | -50.1 | 0 | 0 | 0 | 0 | 111.6 | S344 L348 L349 M350 | S344-S346 VanDerWaalsContact C-N 3.25Å; S344-S346 PolarHBondContact O-N 3.48Å; S344-S346 WeakPolarHBondContact OG-CB 3.2Å; S344-S346 PolarHBondContact OG-N 2.83Å; S346-L348 VanDerWaalsContact C-N 3.34Å; S346-L348 PolarHBondContact O-N 2.99Å; S346-L349 PolarHBondContact O-N 2.98Å; S346-M350 WeakPolarHBondContact O-CG 3.39Å; S346-M350 PolarHBondContact O-N 2.99Å; S346-M350 VanDerWaalsContact O-N 3.1Å |
| 347 | D | 91.2 | Very high | 86.2 | Confident | 58 Ų | 58 | 71.9 Ų | 71.9 | 31% | 0.31 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | 177.9 | -54.6 | -4.8 | 0 | 0 | 0 | 110.4 | A342 S343 S344 V345 L349 M350 I351 | A342-D347 HydrophobicContact CB-CB 3.74Å; S343-D347 WeakPolarHBondContact CA-OD2 3.09Å; S343-D347 WeakPolarHBondContact CB-OD2 3.04Å; S343-D347 PolarHBondContact N-OD2 3.07Å; S343-D347 PolarHBondContact OG-OD2 2.97Å; S344-D347 PolarHBondContact N-OD2 3.07Å; S344-D347 PolarHBondContact O-N 3.15Å; S344-D347 PolarHBondContact OG-N 2.8Å; S344-D347 VanDerWaalsContact OG-N 3.11Å; S344-D347 PolarHBondContact OG-OD1 3.13Å; V345-D347 VanDerWaalsContact C-N 3.31Å; V345-D347 PolarHBondContact O-N 2.93Å; D347-L349 PolarHBondContact O-N 3.11Å; D347-M350 PolarHBondContact O-N 2.04Å; D347-I351 WeakPolarHBondContact O-CG1 3.4Å; D347-I351 PolarHBondContact O-N 2.93Å |
| 348 | L | 91.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.7 | -33 | 176.5 | -73.5 | 176.1 | 0 | 0 | 0 | 113.2 | A342 S344 V345 S346 I382 A408 R444 I446 | A342-L348 HydrophobicContact CB-CD2 3.86Å; A342-L348 HydrophobicContact CB-CG 4.11Å; S344-L348 PolarHBondContact O-N 3.05Å; V345-L348 WeakPolarHBondContact O-CB 3.37Å; V345-L348 PolarHBondContact O-N 2.8Å; S346-L348 VanDerWaalsContact C-N 3.34Å; S346-L348 PolarHBondContact O-N 2.99Å; L348-I382 HydrophobicContact CD2-CD1 4.09Å; L348-I382 HydrophobicContact CD2-CG1 4.41Å; L348-I382 HydrophobicContact CD2-CG2 3.93Å; L348-A408 HydrophobicContact CB-CB 4.46Å; L348-A408 HydrophobicContact CD1-CB 4.38Å; L348-R444 HydrophobicContact CB-CB 4.45Å; L348-R444 HydrophobicContact CD1-CB 4.45Å; L348-R444 HydrophobicContact CD2-CB 4.39Å; L348-R444 WeakPolarHBondContact O-CD 3.07Å; L348-R444 PolarHBondContact O-NH1 3.15Å; L348-I446 HydrophobicContact CD1-CD1 4.23Å; L348-I446 HydrophobicContact CD1-CG1 4.03Å; L348-I446 HydrophobicContact CD2-CD1 4.45Å; L348-I446 HydrophobicContact CD2-CG1 3.81Å; L348-I446 HydrophobicContact CG-CD1 4.17Å; L348-I446 HydrophobicContact CG-CG1 4.02Å |
| 349 | L | 90.9 | Very high | 83.8 | Confident | 51 Ų | 51 | 78 Ų | 78 | 27% | 0.267 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -80.9 | -28.9 | -178.8 | -66.5 | 166.3 | 0 | 0 | 0 | 112.5 | V345 S346 D347 I351 A408 L410 Q420 | V345-L349 HydrophobicContact CG1-CD1 4.11Å; V345-L349 WeakPolarHBondContact O-CG 3.38Å; V345-L349 PolarHBondContact O-N 2.77Å; S346-L349 PolarHBondContact O-N 2.98Å; D347-L349 PolarHBondContact O-N 3.11Å; L349-I351 VanDerWaalsContact C-N 3.31Å; L349-A408 HydrophobicContact CD2-CB 4.03Å; L349-A408 HydrophobicContact CG-CB 4.33Å; L349-L410 HydrophobicContact CD2-CD1 4.07Å; L349-L410 HydrophobicContact CD2-CD2 4.11Å; L349-L410 HydrophobicContact CD2-CG 4.16Å; L349-Q420 HydrophobicContact CD1-CB 4.4Å; L349-Q420 VanDerWaalsContact CD1-CD 3.41Å; L349-Q420 HydrophobicContact CD1-CG 4.15Å; L349-Q420 HydrophobicContact CD2-CB 4.14Å; L349-Q420 HydrophobicContact CD2-CG 4.23Å |
| 350 | M | 89.1 | Confident | 83.4 | Confident | 166 Ų | 166 | 78 Ų | 78 | 82% | 0.818 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -73.9 | -19.5 | 177.4 | -72 | -83 | 177.5 | 0 | 0 | 113.3 | S346 D347 D352 | S346-M350 WeakPolarHBondContact O-CG 3.39Å; S346-M350 PolarHBondContact O-N 2.99Å; S346-M350 VanDerWaalsContact O-N 3.1Å; D347-M350 PolarHBondContact O-N 2.04Å; M350-D352 PolarHBondContact O-N 2.87Å |
| 351 | I | 88.5 | Confident | 83.2 | Confident | 32 Ų | 32 | 79.8 Ų | 79.8 | 16% | 0.164 | 44% | 0.437 | C | S | . | . | trans | -71.4 | 115.9 | 178.5 | -63 | 165.4 | 0 | 0 | 0 | 109.5 | L340 D347 L349 F353 I356 I382 R444 | L340-I351 HydrophobicContact CD1-CG2 4.48Å; D347-I351 WeakPolarHBondContact O-CG1 3.4Å; D347-I351 PolarHBondContact O-N 2.93Å; L349-I351 VanDerWaalsContact C-N 3.31Å; I351-F353 HydrophobicContact CB-CD2 4.49Å; I351-F353 HydrophobicContact CB-CE2 4Å; I351-F353 HydrophobicContact CB-CZ 4.1Å; I351-F353 HydrophobicContact CD1-CZ 4.49Å; I351-F353 HydrophobicContact CG2-CD1 3.89Å; I351-F353 HydrophobicContact CG2-CD2 3.96Å; I351-F353 HydrophobicContact CG2-CE1 3.72Å; I351-F353 HydrophobicContact CG2-CE2 3.75Å; I351-F353 HydrophobicContact CG2-CG 4.03Å; I351-F353 HydrophobicContact CG2-CZ 3.65Å; I351-F353 PolarHBondContact O-N 2.82Å; I351-I356 HydrophobicContact CG2-CD1 3.88Å; I351-I382 HydrophobicContact CD1-CD1 3.37Å; I351-R444 PolarHBondContact O-NH1 2.66Å; I351-R444 VanDerWaalsContact O-NH1 3.15Å | ||
| 352 | D | 86.3 | Confident | 83.2 | Confident | 86 Ų | 86 | 74.9 Ų | 74.9 | 46% | 0.46 | 42% | 0.416 | S | S | . | . | trans | -87.6 | 96.4 | 166.9 | -173.1 | -6.3 | 0 | 0 | 0 | 109.4 | M350 D354 Q355 I356 | M350-D352 PolarHBondContact O-N 2.87Å; D352-D354 PolarHBondContact O-N 3.24Å; D352-D354 PolarHBondContact OD1-N 2.85Å; D352-D354 VanDerWaalsContact OD1-N 3.13Å; D352-Q355 PolarHBondContact O-N 2.9Å; D352-I356 VanDerWaalsContact O-CG1 3.31Å; D352-I356 WeakPolarHBondContact O-CG1 3.34Å | ||
| 353 | F | 85.6 | Confident | 83 | Confident | 14 Ų | 14 | 78 Ų | 78 | 6% | 0.061 | 43% | 0.428 | C | S | . | . | G | 310 helix | trans | -66.5 | -21.1 | -177.9 | -69.2 | -81.9 | 0 | 0 | 0 | 113.7 | W337 L340 I351 Q355 I356 I382 R384 R444 | W337-F353 HydrophobicContact CD2-CD1 4.31Å; W337-F353 HydrophobicContact CD2-CE1 4.25Å; W337-F353 HydrophobicContact CE3-CD1 4.07Å; W337-F353 AromaticContact CE3-CE1 3.76Å; W337-F353 HydrophobicContact CE3-CE1 3.76Å; W337-F353 HydrophobicContact CH2-CB 4.44Å; W337-F353 AromaticContact CH2-CD1 3.27Å; W337-F353 HydrophobicContact CH2-CD1 3.27Å; W337-F353 AromaticContact CH2-CE1 3.76Å; W337-F353 HydrophobicContact CH2-CE1 3.76Å; W337-F353 HydrophobicContact CH2-CG 4.11Å; W337-F353 AromaticContact CZ2-CD1 3.55Å; W337-F353 HydrophobicContact CZ2-CD1 3.55Å; W337-F353 HydrophobicContact CZ2-CE1 4.25Å; W337-F353 HydrophobicContact CZ2-CG 4.45Å; W337-F353 AromaticContact CZ3-CD1 3.56Å; W337-F353 HydrophobicContact CZ3-CD1 3.56Å; W337-F353 AromaticContact CZ3-CE1 3.5Å; W337-F353 HydrophobicContact CZ3-CE1 3.5Å; W337-F353 VanDerWaalsContact CZ3-CE1 3.5Å; L340-F353 HydrophobicContact CD1-CD1 4.49Å; L340-F353 HydrophobicContact CD1-CE1 4.02Å; I351-F353 HydrophobicContact CB-CD2 4.49Å; I351-F353 HydrophobicContact CB-CE2 4Å; I351-F353 HydrophobicContact CB-CZ 4.1Å; I351-F353 HydrophobicContact CD1-CZ 4.49Å; I351-F353 HydrophobicContact CG2-CD1 3.89Å; I351-F353 HydrophobicContact CG2-CD2 3.96Å; I351-F353 HydrophobicContact CG2-CE1 3.72Å; I351-F353 HydrophobicContact CG2-CE2 3.75Å; I351-F353 HydrophobicContact CG2-CG 4.03Å; I351-F353 HydrophobicContact CG2-CZ 3.65Å; I351-F353 PolarHBondContact O-N 2.82Å; F353-Q355 VanDerWaalsContact C-N 3.32Å; F353-I356 HydrophobicContact CD1-CD1 3.9Å; F353-I356 HydrophobicContact CG-CD1 4.46Å; F353-I382 HydrophobicContact CE1-CG2 4.25Å; F353-I382 HydrophobicContact CZ-CG2 4.02Å; F353-R384 VanDerWaalsContact CB-NH1 3.29Å; F353-R444 HydrophobicContact CE2-CG 4.21Å |
| 354 | D | 79.4 | Confident | 82.8 | Confident | 132 Ų | 132 | 74.1 Ų | 74.1 | 71% | 0.706 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -82.7 | -13.3 | -176.2 | -61.6 | -24 | 0 | 0 | 0 | 111.7 | D352 R384 | D352-D354 PolarHBondContact O-N 3.24Å; D352-D354 PolarHBondContact OD1-N 2.85Å; D352-D354 VanDerWaalsContact OD1-N 3.13Å; D354-R384 IonicContact OD1-NH1 3.38Å |
| 355 | Q | 77.9 | Confident | 82.4 | Confident | 154 Ų | 154 | 78 Ų | 78 | 72% | 0.72 | 41% | 0.411 | S | S | * | . | G | 310 helix | trans | -102.2 | 7.2 | 176 | -67.8 | -151.1 | 0.9 | 0 | 0 | 114.7 | D352 F353 T357 | D352-Q355 PolarHBondContact O-N 2.9Å; F353-Q355 VanDerWaalsContact C-N 3.32Å; Q355-T357 PolarHBondContact O-N 2.93Å |
| 356 | I | 79.1 | Confident | 81.9 | Confident | 47 Ų | 47 | 76.6 Ų | 76.6 | 24% | 0.241 | 40% | 0.402 | C | S | . | . | trans | -83.1 | 98.3 | -177.4 | -57 | -174.1 | 0 | 0 | 0 | 109.7 | L340 I351 D352 F353 T359 | L340-I356 HydrophobicContact CD1-CD1 3.73Å; L340-I356 HydrophobicContact CD2-CD1 4.37Å; I351-I356 HydrophobicContact CG2-CD1 3.88Å; D352-I356 VanDerWaalsContact O-CG1 3.31Å; D352-I356 WeakPolarHBondContact O-CG1 3.34Å; F353-I356 HydrophobicContact CD1-CD1 3.9Å; F353-I356 HydrophobicContact CG-CD1 4.46Å; I356-T359 HydrophobicContact CG2-CG2 3.09Å; I356-T359 WeakPolarHBondContact CG2-OG1 3.34Å | ||
| 357 | T | 68.9 | Low | 81.1 | Confident | 124 Ų | 124 | 77 Ų | 77 | 76% | 0.761 | 39% | 0.392 | S | S | * | . | trans | -92.8 | -19.9 | -176.1 | 61.1 | 0 | 0 | 0 | 0 | 114.9 | Q355 | Q355-T357 PolarHBondContact O-N 2.93Š| ||
| 358 | N | 60.9 | Low | 80.2 | Confident | 147 Ų | 147 | 75.2 Ų | 75.2 | 79% | 0.786 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -128.5 | 61.3 | -168.4 | -75.1 | -9.4 | 0 | 0 | 0 | 113.1 | ||
| 359 | T | 64.2 | Low | 78.8 | Confident | 45 Ų | 45 | 75.9 Ų | 75.9 | 28% | 0.276 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -136 | 159.5 | -177.2 | 56.1 | 0 | 0 | 0 | 0 | 115.4 | W337 D339 L340 I356 L361 | W337-T359 PolarHBondContact NE1-OG1 2.96Å; D339-T359 VanDerWaalsContact OD2-CA 3.29Å; D339-T359 WeakPolarHBondContact OD2-CA 3.41Å; D339-T359 VanDerWaalsContact OD2-CB 3.31Å; D339-T359 WeakPolarHBondContact OD2-CB 3.47Å; D339-T359 VanDerWaalsContact OD2-CG2 3.29Å; D339-T359 WeakPolarHBondContact OD2-CG2 3.25Å; L340-T359 HydrophobicContact CD2-CG2 4.45Å; I356-T359 HydrophobicContact CG2-CG2 3.09Å; I356-T359 WeakPolarHBondContact CG2-OG1 3.34Å; T359-L361 PolarHBondContact O-N 3.31Å |
| 360 | T | 76.5 | Confident | 77.7 | Confident | 71 Ų | 71 | 76.3 Ų | 76.3 | 44% | 0.436 | 39% | 0.387 | S | S | . | . | trans | -71.5 | 46.5 | 171.5 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | S338 D339 K362 | S338-T360 PolarHBondContact OG-OG1 2.81Å; D339-T360 VanDerWaalsContact CG-OG1 3.25Å; D339-T360 PolarHBondContact OD1-OG1 3.35Å; D339-T360 PolarHBondContact OD2-N 2.79Å; T360-K362 PolarHBondContact O-N 3.23Å | ||
| 361 | L | 83.8 | Confident | 76.5 | Confident | 72 Ų | 72 | 74.1 Ų | 74.1 | 38% | 0.377 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 121.3 | 179.9 | 170.9 | 59.9 | 0 | 0 | 0 | 110.1 | Q335 W337 T359 E363 | Q335-L361 HydrophobicContact CB-CD1 3.67Å; Q335-L361 HydrophobicContact CG-CD1 4.05Å; W337-L361 HydrophobicContact CD2-CD1 4.17Å; W337-L361 HydrophobicContact CH2-CD1 4.18Å; W337-L361 HydrophobicContact CZ2-CD1 3.69Å; W337-L361 HydrophobicContact CZ2-CD2 4.48Å; T359-L361 PolarHBondContact O-N 3.31Å; L361-E363 HydrophobicContact CD1-CB 4.45Å; L361-E363 HydrophobicContact CG-CB 4.48Å |
| 362 | K | 84.6 | Confident | 75.5 | Confident | 91 Ų | 91 | 73.8 Ų | 73.8 | 40% | 0.396 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 123.1 | 161.7 | -70.8 | -179.2 | 170.5 | -171.9 | 0 | 108.9 | Q335 F336 T360 D375 L376 | Q335-K362 CarbonylContact C-O 3.57Å; Q335-K362 WeakPolarHBondContact CA-O 3.2Å; F336-K362 PolarHBondContact N-O 2.79Å; F336-K362 PolarHBondContact O-N 2.8Å; T360-K362 PolarHBondContact O-N 3.23Å; K362-D375 PolarHBondContact NZ-O 3Å; K362-L376 HydrophobicContact CB-CD1 4.21Å; K362-L376 VanDerWaalsContact CD-O 3.25Å; K362-L376 WeakPolarHBondContact CD-O 3.04Å |
| 363 | E | 84.9 | Confident | 74.6 | Confident | 84 Ų | 84 | 71.1 Ų | 71.1 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 138.8 | 179.7 | -176.4 | 163.3 | -142.6 | 0 | 0 | 110.8 | T333 V334 Q335 L361 | T333-E363 HydrophobicContact CG2-CG 4.14Å; T333-E363 WeakPolarHBondContact CG2-OE1 3.48Å; V334-E363 CarbonylContact O-C 3.57Å; V334-E363 VanDerWaalsContact O-CA 3.31Å; V334-E363 WeakPolarHBondContact O-CA 3.33Å; Q335-E363 HydrophobicContact CG-CB 4.36Å; Q335-E363 HydrophobicContact CG-CG 3.96Å; Q335-E363 PolarHBondContact NE2-OE1 3.18Å; L361-E363 HydrophobicContact CD1-CB 4.45Å; L361-E363 HydrophobicContact CG-CB 4.48Å |
| 364 | A | 83.1 | Confident | 73.7 | Confident | 21 Ų | 21 | 78.2 Ų | 78.2 | 17% | 0.174 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 142.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111 | V334 L366 L376 | V334-A364 PolarHBondContact N-O 2.81Å; V334-A364 PolarHBondContact O-N 2.87Å; A364-L366 HydrophobicContact CB-CD2 4.25Å; A364-L376 HydrophobicContact CB-CD1 3.58Å; A364-L376 HydrophobicContact CB-CD2 4.33Å |
| 365 | Y | 81.8 | Confident | 73.1 | Confident | 118 Ų | 118 | 78 Ų | 78 | 46% | 0.463 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 118.4 | 169.4 | -63.4 | -88.1 | 0 | 0 | 0 | 108.2 | L332 T333 T998 | L332-Y365 WeakPolarHBondContact O-CA 3.48Å; T333-Y365 HydrophobicContact CG2-CE1 4.16Å; Y365-T998 HydrophobicContact CD1-CG2 4.15Å |
| 366 | L | 79.7 | Confident | 72.8 | Confident | 18 Ų | 18 | 71.5 Ų | 71.5 | 9% | 0.094 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 122.8 | -177.8 | -57.6 | -179.2 | 0 | 0 | 0 | 109.5 | G331 L332 V334 A364 E368 F371 I372 P373 | G331-L366 CarbonylContact C-O 3.57Å; G331-L366 WeakPolarHBondContact CA-O 3.5Å; L332-L366 HydrophobicContact CD2-CB 3.98Å; L332-L366 WeakPolarHBondContact CD2-O 3.32Å; L332-L366 HydrophobicContact CG-CB 4.22Å; L332-L366 PolarHBondContact N-O 2.04Å; L332-L366 PolarHBondContact O-N 3.48Å; V334-L366 HydrophobicContact CB-CD1 4.24Å; V334-L366 HydrophobicContact CG2-CD1 3.34Å; V334-L366 HydrophobicContact CG2-CG 3.85Å; A364-L366 HydrophobicContact CB-CD2 4.25Å; L366-E368 VanDerWaalsContact C-N 3.33Å; L366-F371 WeakPolarHBondContact CD1-O 3.37Å; L366-I372 HydrophobicContact CD1-CB 4.48Å; L366-I372 HydrophobicContact CD1-CG1 4.3Å; L366-P373 HydrophobicContact CD2-CG 3.88Å |
| 367 | Y | 74.4 | Confident | 72.4 | Confident | 85 Ų | 85 | 70.4 Ų | 70.4 | 33% | 0.333 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -82.1 | -15.5 | 169.1 | 55.5 | -91.7 | 0 | 0 | 0 | 112.2 | Y259 Y1015 | Y259-Y367 HydrophobicContact CE1-CD2 4.39Å; Y259-Y367 VanDerWaalsContact OH-CD2 3.28Å; Y259-Y367 WeakPolarHBondContact OH-CD2 3.47Å; Y259-Y367 WeakPolarHBondContact OH-CE2 3.12Å; Y367-Y1015 HydrophobicContact CD1-CD2 4.38Å; Y367-Y1015 AromaticContact CD1-CE2 3.98Å; Y367-Y1015 HydrophobicContact CD1-CE2 3.98Å |
| 368 | E | 72.7 | Confident | 72.1 | Confident | 22 Ų | 22 | 70.9 Ų | 70.9 | 10% | 0.103 | 35% | 0.35 | C | S | . | . | trans | -108.6 | 109.6 | 170.8 | -59.2 | -152.5 | 135.9 | 0 | 0 | 111.1 | P143 V144 Y145 L366 E370 F371 | P143-E368 VanDerWaalsContact CB-OE1 3.24Å; P143-E368 WeakPolarHBondContact CB-OE1 3.41Å; V144-E368 PolarHBondContact N-OE1 3.43Å; Y145-E368 HydrophobicContact CD2-CB 4.35Å; Y145-E368 HydrophobicContact CD2-CG 3.89Å; Y145-E368 PolarHBondContact N-OE1 2.71Å; L366-E368 VanDerWaalsContact C-N 3.33Å; E368-E370 PolarHBondContact O-N 3.49Å; E368-E370 VanDerWaalsContact O-N 3.12Å; E368-F371 HydrophobicContact CB-CB 4.44Å; E368-F371 PolarHBondContact O-N 3.18Å | ||
| 369 | P | 62.9 | Low | 72.8 | Confident | 13 Ų | 13 | 65.1 Ų | 65.1 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -16.4 | 174.6 | -23.9 | 35 | 0 | 0 | 0 | 114.8 | L332 P990 I991 | L332-P369 HydrophobicContact CD2-CB 3.85Å; L332-P369 HydrophobicContact CD2-CG 3.82Å; P369-P990 HydrophobicContact CB-CB 4.27Å; P369-I991 WeakPolarHBondContact CG-O 3.19Å |
| 370 | E | 66.7 | Low | 73.7 | Confident | 61 Ų | 61 | 67.3 Ų | 67.3 | 29% | 0.285 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -29.1 | -177.5 | -163.7 | 164.3 | -178.8 | 0 | 0 | 113.5 | R246 E368 R455 P990 | R246-E370 IonicContact CZ-OE2 3.21Å; R246-E370 IonicContact NE-OE2 3.75Å; R246-E370 IonicContact NH2-OE1 3.79Å; R246-E370 IonicContact NH2-OE2 2.74Å; R246-E370 PolarHBondContact NH2-OE2 3.29Å; E368-E370 PolarHBondContact O-N 3.49Å; E368-E370 VanDerWaalsContact O-N 3.12Å; E370-R455 IonicContact OE1-CZ 2.76Å; E370-R455 IonicContact OE1-NE 3.19Å; E370-R455 IonicContact OE1-NH2 2.75Å; E370-R455 PolarHBondContact OE1-NH2 2.78Å; E370-P990 HydrophobicContact CB-CG 3.82Å; E370-P990 HydrophobicContact CG-CG 4.19Å |
| 371 | F | 63.9 | Low | 74.3 | Confident | 120 Ų | 120 | 64.2 Ų | 64.2 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | trans | -112.1 | 94.3 | -169.5 | -173.5 | -99.1 | 0 | 0 | 0 | 110.7 | L366 E368 P373 | L366-F371 WeakPolarHBondContact CD1-O 3.37Å; E368-F371 HydrophobicContact CB-CB 4.44Å; E368-F371 PolarHBondContact O-N 3.18Å; F371-P373 HydrophobicContact CD1-CG 4.22Å; F371-P373 HydrophobicContact CE1-CB 4.06Å; F371-P373 HydrophobicContact CE1-CG 4.07Å; F371-P373 WeakPolarHBondContact O-CD 3.36Å | ||
| 372 | I | 68.3 | Low | 74.6 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 12% | 0.123 | 30% | 0.304 | C | S | . | . | trans | -80.4 | 116.2 | 163.4 | -47.9 | 178.7 | 0 | 0 | 0 | 106.6 | V334 L366 K374 L376 F377 I383 L385 | V334-I372 HydrophobicContact CG1-CG2 4.19Å; L366-I372 HydrophobicContact CD1-CB 4.48Å; L366-I372 HydrophobicContact CD1-CG1 4.3Å; I372-K374 PolarHBondContact O-N 2.86Å; I372-L376 HydrophobicContact CG2-CB 4.43Å; I372-L376 HydrophobicContact CG2-CD2 3.74Å; I372-F377 HydrophobicContact CB-CE1 3.72Å; I372-F377 HydrophobicContact CB-CZ 4.45Å; I372-F377 HydrophobicContact CG2-CD1 3.73Å; I372-F377 HydrophobicContact CG2-CE1 3.37Å; I372-F377 HydrophobicContact CG2-CZ 4.46Å; I372-I383 HydrophobicContact CD1-CD1 3.78Å; I372-I383 HydrophobicContact CG2-CD1 4.26Å; I372-L385 HydrophobicContact CD1-CD2 4.16Å | ||
| 373 | P | 66.7 | Low | 74.8 | Confident | 31 Ų | 31 | 56.6 Ų | 56.6 | 20% | 0.201 | 29% | 0.285 | C | S | . | . | trans | -56.1 | 135 | -177.9 | -24.4 | 33.5 | 0 | 0 | 0 | 111 | L366 F371 D375 L376 | L366-P373 HydrophobicContact CD2-CG 3.88Å; F371-P373 HydrophobicContact CD1-CG 4.22Å; F371-P373 HydrophobicContact CE1-CB 4.06Å; F371-P373 HydrophobicContact CE1-CG 4.07Å; F371-P373 WeakPolarHBondContact O-CD 3.36Å; P373-D375 PolarHBondContact O-N 2.81Å; P373-L376 WeakPolarHBondContact O-CB 3.33Å; P373-L376 PolarHBondContact O-N 3.26Å | ||
| 374 | K | 66.8 | Low | 75.1 | Confident | 162 Ų | 162 | 53.4 Ų | 53.4 | 70% | 0.704 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -56.3 | -33.8 | 177.3 | -73.2 | -175.1 | 177.8 | -179.8 | 0 | 111.9 | I372 L376 F377 N378 | I372-K374 PolarHBondContact O-N 2.86Å; K374-L376 PolarHBondContact O-N 2.65Å; K374-L376 VanDerWaalsContact O-N 3.16Å; K374-F377 PolarHBondContact O-N 3.31Å; K374-N378 PolarHBondContact O-OD1 3.23Å |
| 375 | D | 68 | Low | 75.4 | Confident | 129 Ų | 129 | 52.9 Ų | 52.9 | 69% | 0.69 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -63.2 | -20.7 | 179 | -54.5 | -37.5 | 0 | 0 | 0 | 113.2 | K362 P373 | K362-D375 PolarHBondContact NZ-O 3Å; P373-D375 PolarHBondContact O-N 2.81Å |
| 376 | L | 70.7 | Confident | 75.9 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 8% | 0.084 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -73.9 | -33.5 | 179.9 | -156.4 | 79.8 | 0 | 0 | 0 | 112.1 | V334 F336 K362 A364 I372 P373 K374 | V334-L376 HydrophobicContact CB-CD2 3.92Å; V334-L376 HydrophobicContact CG1-CD2 3.32Å; F336-L376 VanDerWaalsContact CD1-O 3.32Å; F336-L376 WeakPolarHBondContact CD1-O 3.33Å; K362-L376 HydrophobicContact CB-CD1 4.21Å; K362-L376 VanDerWaalsContact CD-O 3.25Å; K362-L376 WeakPolarHBondContact CD-O 3.04Å; A364-L376 HydrophobicContact CB-CD1 3.58Å; A364-L376 HydrophobicContact CB-CD2 4.33Å; I372-L376 HydrophobicContact CG2-CB 4.43Å; I372-L376 HydrophobicContact CG2-CD2 3.74Å; P373-L376 WeakPolarHBondContact O-CB 3.33Å; P373-L376 PolarHBondContact O-N 3.26Å; K374-L376 PolarHBondContact O-N 2.65Å; K374-L376 VanDerWaalsContact O-N 3.16Å |
| 377 | F | 70.2 | Confident | 76.6 | Confident | 24 Ų | 24 | 46.8 Ų | 46.8 | 11% | 0.105 | 24% | 0.239 | C | C | . | . | trans | -139.2 | 80.2 | -177.2 | 60.8 | -77.2 | 0 | 0 | 0 | 112.9 | F336 I372 K374 G379 P450 | F336-F377 HydrophobicContact CD1-CB 4.11Å; F336-F377 HydrophobicContact CD2-CB 3.91Å; F336-F377 HydrophobicContact CE1-CB 4.01Å; F336-F377 HydrophobicContact CE2-CB 3.81Å; F336-F377 HydrophobicContact CG-CB 4.05Å; F336-F377 HydrophobicContact CZ-CB 3.87Å; I372-F377 HydrophobicContact CB-CE1 3.72Å; I372-F377 HydrophobicContact CB-CZ 4.45Å; I372-F377 HydrophobicContact CG2-CD1 3.73Å; I372-F377 HydrophobicContact CG2-CE1 3.37Å; I372-F377 HydrophobicContact CG2-CZ 4.46Å; K374-F377 PolarHBondContact O-N 3.31Å; F377-G379 VanDerWaalsContact C-N 3.29Å; F377-G379 PolarHBondContact O-N 3.09Å; F377-G379 VanDerWaalsContact O-N 3.13Å; F377-P450 HydrophobicContact CD2-CB 4.39Å; F377-P450 VanDerWaalsContact CE2-O 3.24Å; F377-P450 WeakPolarHBondContact CE2-O 3.45Å | ||
| 378 | N | 64.3 | Low | 77.5 | Confident | 135 Ų | 135 | 42.7 Ų | 42.7 | 72% | 0.722 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -83 | 69.6 | 165.6 | -78.5 | -16.2 | 0 | 0 | 0 | 110.1 | K374 | K374-N378 PolarHBondContact O-OD1 3.23Š|
| 379 | G | 74.9 | Confident | 78.6 | Confident | 26 Ų | 26 | 41.7 Ų | 41.7 | 27% | 0.268 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 148.5 | -161.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | F377 I447 | F377-G379 VanDerWaalsContact C-N 3.29Å; F377-G379 PolarHBondContact O-N 3.09Å; F377-G379 VanDerWaalsContact O-N 3.13Å; G379-I447 WeakPolarHBondContact O-CG2 3.32Å |
| 380 | T | 83.7 | Confident | 80 | Confident | 90 Ų | 90 | 41.2 Ų | 41.2 | 55% | 0.552 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -88.1 | 150.2 | 173.4 | 57.1 | 0 | 0 | 0 | 0 | 111 | I447 S448 | T380-I447 WeakPolarHBondContact CA-O 3.48Å; T380-I447 VanDerWaalsContact CB-O 3.3Å; T380-I447 WeakPolarHBondContact CB-O 3.29Å; T380-S448 WeakPolarHBondContact CG2-O 3.18Å |
| 381 | G | 88.1 | Confident | 81.4 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 7% | 0.072 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.5 | -161.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | W337 I447 | W337-G381 VanDerWaalsContact O-CA 3.27Å; W337-G381 WeakPolarHBondContact O-CA 3.27Å; G381-I447 PolarHBondContact N-O 3.33Å; G381-I447 VanDerWaalsContact N-O 3.14Å; G381-I447 PolarHBondContact O-N 3.12Å |
| 382 | I | 90.3 | Very high | 82.7 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 130.6 | 174.6 | -58.8 | -176.9 | 0 | 0 | 0 | 109 | F336 W337 L340 A342 L348 I351 F353 | F336-I382 WeakPolarHBondContact CA-O 3.43Å; F336-I382 WeakPolarHBondContact CD2-O 3.4Å; W337-I382 PolarHBondContact N-O 2.61Å; W337-I382 PolarHBondContact O-N 2.99Å; L340-I382 HydrophobicContact CB-CB 4.29Å; L340-I382 HydrophobicContact CB-CD1 3.62Å; L340-I382 HydrophobicContact CB-CG1 3.97Å; A342-I382 HydrophobicContact CB-CD1 3.79Å; L348-I382 HydrophobicContact CD2-CD1 4.09Å; L348-I382 HydrophobicContact CD2-CG1 4.41Å; L348-I382 HydrophobicContact CD2-CG2 3.93Å; I351-I382 HydrophobicContact CD1-CD1 3.37Å; F353-I382 HydrophobicContact CE1-CG2 4.25Å; F353-I382 HydrophobicContact CZ-CG2 4.02Å |
| 383 | I | 88.8 | Confident | 83.8 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 138.9 | 172 | -164.6 | 168.6 | 0 | 0 | 0 | 110.1 | V334 Q335 F336 I372 L385 R444 S445 I447 I454 | V334-I383 HydrophobicContact CG1-CD1 3.77Å; V334-I383 HydrophobicContact CG1-CG1 3.92Å; Q335-I383 CarbonylContact O-C 3.44Å; Q335-I383 WeakPolarHBondContact O-CA 3.44Å; F336-I383 HydrophobicContact CD2-CB 4.22Å; I372-I383 HydrophobicContact CD1-CD1 3.78Å; I372-I383 HydrophobicContact CG2-CD1 4.26Å; I383-L385 HydrophobicContact CD1-CD2 4.18Å; I383-L385 HydrophobicContact CG1-CD2 4.25Å; I383-R444 CarbonylContact O-C 3.56Å; I383-R444 WeakPolarHBondContact O-CA 3.32Å; I383-S445 PolarHBondContact N-O 2.77Å; I383-S445 PolarHBondContact O-N 2.96Å; I383-I447 HydrophobicContact CB-CD1 4.37Å; I383-I447 HydrophobicContact CB-CG1 4.15Å; I383-I447 HydrophobicContact CG2-CD1 3.65Å; I383-I447 HydrophobicContact CG2-CG1 3.92Å; I383-I454 HydrophobicContact CG2-CD1 3.8Å |
| 384 | R | 90.5 | Very high | 85.1 | Confident | 16 Ų | 16 | 37.5 Ų | 37.5 | 6% | 0.06 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 121.9 | 171.7 | 179.8 | -179.3 | 152 | -161 | -13.3 | 109.1 | V334 Q335 W337 F353 D354 S386 E442 L443 | V334-R384 WeakPolarHBondContact CA-O 3.46Å; Q335-R384 HydrophobicContact CB-CB 4.39Å; Q335-R384 PolarHBondContact N-O 2.92Å; Q335-R384 PolarHBondContact O-N 2.89Å; W337-R384 HydrophobicContact CH2-CB 4.23Å; W337-R384 HydrophobicContact CZ3-CB 3.7Å; F353-R384 VanDerWaalsContact CB-NH1 3.29Å; D354-R384 IonicContact OD1-NH1 3.38Å; R384-S386 PolarHBondContact NE-OG 2.75Å; R384-S386 VanDerWaalsContact NE-OG 3.16Å; R384-S386 PolarHBondContact NH2-OG 3.14Å; R384-E442 HydrophobicContact CG-CG 3.84Å; R384-E442 IonicContact CZ-OE2 3.75Å; R384-E442 VanDerWaalsContact NE-CD 3.27Å; R384-E442 IonicContact NE-OE1 3.66Å; R384-E442 IonicContact NE-OE2 3.99Å; R384-E442 PolarHBondContact NE-OE2 3.25Å; R384-E442 IonicContact NH2-OE2 2.76Å; R384-E442 PolarHBondContact NH2-OE2 2.95Å; R384-L443 CarbonylContact C-O 3.53Å; R384-L443 WeakPolarHBondContact CA-O 3.32Å |
| 385 | L | 91.1 | Very high | 86.4 | Confident | 11 Ų | 11 | 29.9 Ų | 29.9 | 6% | 0.058 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122.3 | 170.1 | -51.3 | -179.8 | 0 | 0 | 0 | 108.2 | L332 T333 V334 I372 I383 E442 L443 I454 | L332-L385 HydrophobicContact CD1-CB 4.17Å; L332-L385 HydrophobicContact CD1-CD2 4.09Å; T333-L385 WeakPolarHBondContact O-CA 2.93Å; V334-L385 HydrophobicContact CB-CD2 3.94Å; V334-L385 HydrophobicContact CG1-CD2 3.56Å; V334-L385 HydrophobicContact CG2-CD2 3.37Å; I372-L385 HydrophobicContact CD1-CD2 4.16Å; I383-L385 HydrophobicContact CD1-CD2 4.18Å; I383-L385 HydrophobicContact CG1-CD2 4.25Å; L385-E442 CarbonylContact O-C 3.46Å; L385-E442 VanDerWaalsContact O-CA 3.26Å; L385-E442 WeakPolarHBondContact O-CA 3.31Å; L385-L443 HydrophobicContact CB-CB 4.25Å; L385-L443 HydrophobicContact CD1-CD2 4.07Å; L385-L443 PolarHBondContact N-O 3.3Å; L385-L443 PolarHBondContact O-N 2.83Å; L385-I454 HydrophobicContact CD1-CG2 4.03Å |
| 386 | S | 92.2 | Very high | 87.7 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.014 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 125.4 | 175.8 | -53.1 | 0 | 0 | 0 | 0 | 109.9 | T333 R384 L441 | T333-S386 PolarHBondContact N-O 3.46Å; T333-S386 PolarHBondContact O-N 2.8Å; R384-S386 PolarHBondContact NE-OG 2.75Å; R384-S386 VanDerWaalsContact NE-OG 3.16Å; R384-S386 PolarHBondContact NH2-OG 3.14Å; S386-L441 WeakPolarHBondContact CA-O 3.31Å |
| 387 | M | 92.6 | Very high | 88.9 | Confident | 5 Ų | 5 | 29.4 Ų | 29.4 | 3% | 0.025 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 150.1 | 175.4 | 74.5 | 175.2 | 79.8 | 0 | 0 | 110.9 | L332 L440 L441 L456 I991 A996 | L332-M387 HydrophobicContact CB-CB 3.79Å; M387-L440 WeakPolarHBondContact O-CD1 3.47Å; M387-L441 HydrophobicContact CG-CB 4.03Å; M387-L441 HydrophobicContact CG-CD1 4.42Å; M387-L441 PolarHBondContact N-O 2.81Å; M387-L441 PolarHBondContact O-N 3.19Å; M387-L441 HydrophobicContact SD-CD1 4.49Å; M387-L456 HydrophobicContact CE-CB 4.07Å; M387-L456 HydrophobicContact CE-CD2 3.47Å; M387-L456 VanDerWaalsContact CE-CD2 3.47Å; M387-L456 HydrophobicContact CE-CG 4.31Å; M387-L456 HydrophobicContact CG-CD2 4.49Å; M387-L456 HydrophobicContact SD-CD2 3.96Å; M387-I991 HydrophobicContact SD-CD1 3.94Å; M387-A996 HydrophobicContact SD-CB 4.24Å |
| 388 | I | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 112.3 | 166.2 | -67.3 | 163.9 | 0 | 0 | 0 | 107.2 | F325 P327 V390 D438 F439 L440 A996 A997 K999 | F325-I388 HydrophobicContact CD2-CD1 3.91Å; F325-I388 HydrophobicContact CE2-CD1 4.13Å; F325-I388 HydrophobicContact CE2-CG1 4.35Å; P327-I388 HydrophobicContact CB-CD1 3.84Å; P327-I388 HydrophobicContact CB-CG2 4.37Å; I388-V390 HydrophobicContact CG2-CG2 4.37Å; I388-D438 HydrophobicContact CG2-CB 3.67Å; I388-F439 CarbonylContact C-O 3.55Å; I388-L440 HydrophobicContact CG1-CB 4.48Å; I388-L440 HydrophobicContact CG1-CD1 3.76Å; I388-A996 WeakPolarHBondContact O-CA 3.09Å; I388-A997 HydrophobicContact CB-CB 4.22Å; I388-A997 PolarHBondContact N-O 2.98Å; I388-A997 PolarHBondContact O-N 2.95Å; I388-K999 HydrophobicContact CD1-CB 4.33Å |
| 389 | F | 95 | Very high | 91.7 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 130 | 172.3 | 177.1 | -114.8 | 0 | 0 | 0 | 109.4 | P391 Y397 F399 L433 F439 L441 A458 M988 I991 M995 | F389-P391 HydrophobicContact CD1-CG 3.96Å; F389-P391 HydrophobicContact CE1-CB 4.02Å; F389-P391 HydrophobicContact CE1-CG 3.74Å; F389-Y397 AromaticContact CE1-CD1 3.78Å; F389-Y397 HydrophobicContact CE1-CD1 3.78Å; F389-Y397 AromaticContact CE1-CE1 3.87Å; F389-Y397 HydrophobicContact CE1-CE1 3.87Å; F389-Y397 HydrophobicContact CE1-CG 4.22Å; F389-Y397 AromaticContact CZ-CD1 3.85Å; F389-Y397 HydrophobicContact CZ-CD1 3.85Å; F389-Y397 AromaticContact CZ-CE1 3.68Å; F389-Y397 HydrophobicContact CZ-CE1 3.68Å; F389-F399 HydrophobicContact CB-CE1 4.41Å; F389-F399 AromaticContact CD1-CE1 3.74Å; F389-F399 HydrophobicContact CD1-CE1 3.74Å; F389-F399 AromaticContact CD1-CZ 3.75Å; F389-F399 HydrophobicContact CD1-CZ 3.75Å; F389-F399 HydrophobicContact CE1-CE1 4.09Å; F389-F399 HydrophobicContact CE1-CZ 4.22Å; F389-F399 AromaticContact CG-CE1 3.98Å; F389-F399 HydrophobicContact CG-CE1 3.98Å; F389-F399 HydrophobicContact CG-CZ 4.33Å; F389-L433 HydrophobicContact CD1-CD1 3.98Å; F389-L433 HydrophobicContact CE1-CD1 4.05Å; F389-F439 PolarHBondContact N-O 3.39Å; F389-F439 PolarHBondContact O-N 3.07Å; F389-L441 HydrophobicContact CB-CD1 3.75Å; F389-L441 HydrophobicContact CB-CG 4.4Å; F389-L441 HydrophobicContact CG-CD1 4.46Å; F389-A458 HydrophobicContact CE2-CB 4.16Å; F389-A458 HydrophobicContact CZ-CB 4.13Å; F389-M988 HydrophobicContact CZ-CE 4.46Å; F389-I991 HydrophobicContact CD2-CD1 4.08Å; F389-I991 HydrophobicContact CD2-CG2 3.86Å; F389-I991 HydrophobicContact CE2-CG2 4.03Å; F389-M995 WeakPolarHBondContact CA-O 3.46Å; F389-M995 HydrophobicContact CD2-CB 4.28Å; F389-M995 WeakPolarHBondContact CD2-O 3.43Å; F389-M995 HydrophobicContact CE2-CB 3.99Å; F389-M995 HydrophobicContact CE2-SD 4.4Å |
| 390 | V | 93.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 22.8 Ų | 22.8 | 2% | 0.018 | 11% | 0.113 | C | C | . | . | trans | -115.5 | 99.1 | 179.3 | -169.7 | 0 | 0 | 0 | 0 | 108.5 | I388 M995 A997 | I388-V390 HydrophobicContact CG2-CG2 4.37Å; V390-M995 PolarHBondContact N-O 3.36Å; V390-A997 HydrophobicContact CG2-CB 4.3Å | ||
| 391 | P | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -60.9 | 132.7 | -174.6 | -20.8 | 30.1 | 0 | 0 | 0 | 112.2 | F389 K393 Y397 L433 N434 N436 E437 | F389-P391 HydrophobicContact CD1-CG 3.96Å; F389-P391 HydrophobicContact CE1-CB 4.02Å; F389-P391 HydrophobicContact CE1-CG 3.74Å; P391-K393 VanDerWaalsContact C-N 3.27Å; P391-K393 PolarHBondContact O-N 3.04Å; P391-Y397 HydrophobicContact CB-CE2 3.83Å; P391-L433 HydrophobicContact CB-CB 4.34Å; P391-L433 HydrophobicContact CG-CB 3.67Å; P391-L433 HydrophobicContact CG-CD1 3.94Å; P391-L433 HydrophobicContact CG-CG 4.43Å; P391-N434 WeakPolarHBondContact CB-O 3.37Å; P391-N434 WeakPolarHBondContact CG-O 3.25Å; P391-N436 PolarHBondContact O-N 2.79Å; P391-E437 WeakPolarHBondContact CD-O 3.42Å | ||
| 392 | P | 91.8 | Very high | 93 | Very high | 10 Ų | 10 | 21.3 Ų | 21.3 | 7% | 0.065 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -68.4 | -24.1 | 176.1 | 24.5 | -34.2 | 0 | 0 | 0 | 113.8 | R249 Y397 R435 M995 | R249-P392 HydrophobicContact CB-CB 4.46Å; R249-P392 HydrophobicContact CG-CB 3.67Å; R249-P392 WeakPolarHBondContact O-CB 3.4Å; P392-Y397 WeakPolarHBondContact CD-OH 3.21Å; P392-R435 WeakPolarHBondContact O-CD 3.49Å; P392-R435 WeakPolarHBondContact O-CG 3.46Å; P392-R435 PolarHBondContact O-NE 3.09Å; P392-M995 HydrophobicContact CG-CE 4.27Å; P392-M995 HydrophobicContact CG-SD 4.22Å |
| 393 | K | 90.6 | Very high | 92.8 | Very high | 77 Ų | 77 | 22.3 Ų | 22.3 | 34% | 0.335 | 11% | 0.109 | S | C | . | . | S | Bend | trans | -154.8 | 160.5 | -171.7 | -163.9 | 177.8 | -177.3 | -173 | 0 | 111.5 | P391 S395 Y397 N462 | P391-K393 VanDerWaalsContact C-N 3.27Å; P391-K393 PolarHBondContact O-N 3.04Å; K393-S395 PolarHBondContact O-N 2.82Å; K393-Y397 WeakPolarHBondContact O-CE2 2.83Å; K393-Y397 PolarHBondContact O-OH 3.07Å; K393-N462 PolarHBondContact NZ-OD1 3.01Å |
| 394 | N | 94.4 | Very high | 92.5 | Very high | 71 Ų | 71 | 26.9 Ų | 26.9 | 38% | 0.38 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -67 | 113.2 | 169.5 | -57.7 | -0.4 | 0 | 0 | 0 | 109.6 | L433 R435 N462 | N394-L433 WeakPolarHBondContact CA-O 3.23Å; N394-R435 VanDerWaalsContact OD1-CB 3.29Å; N394-R435 WeakPolarHBondContact OD1-CB 3.03Å; N394-R435 PolarHBondContact OD1-N 2.99Å; N394-N462 PolarHBondContact O-ND2 3.36Å |
| 395 | S | 95 | Very high | 92.2 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 169.2 | 179.6 | -158.3 | 0 | 0 | 0 | 0 | 112.8 | K393 Y397 L433 S461 N462 | K393-S395 PolarHBondContact O-N 2.82Å; S395-Y397 VanDerWaalsContact O-CD2 3.29Å; S395-Y397 WeakPolarHBondContact O-CD2 3.35Å; S395-L433 PolarHBondContact N-O 3.4Å; S395-L433 VanDerWaalsContact N-O 3.16Å; S395-L433 PolarHBondContact O-N 3.44Å; S395-S461 PolarHBondContact OG-N 2.86Å; S395-S461 PolarHBondContact OG-OG 2.97Å; S395-N462 VanDerWaalsContact OG-CB 3.3Å; S395-N462 WeakPolarHBondContact OG-CB 3.35Å; S395-N462 PolarHBondContact OG-N 2.88Å |
| 396 | Y | 95.4 | Very high | 92.1 | Very high | 134 Ų | 134 | 29.3 Ų | 29.3 | 53% | 0.525 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 121 | 163 | -71.4 | -83.6 | 0 | 0 | 0 | 108.7 | I431 Y432 S461 | Y396-I431 WeakPolarHBondContact CA-O 3.34Å; Y396-Y432 HydrophobicContact CD1-CD2 4.06Å; Y396-Y432 AromaticContact CD2-CD2 3.91Å; Y396-Y432 HydrophobicContact CD2-CD2 3.91Å; Y396-Y432 HydrophobicContact CD2-CE2 4.44Å; Y396-Y432 AromaticContact CE1-CD2 3.89Å; Y396-Y432 HydrophobicContact CE1-CD2 3.89Å; Y396-Y432 HydrophobicContact CE1-CG 4.34Å; Y396-Y432 AromaticContact CE2-CD2 3.73Å; Y396-Y432 HydrophobicContact CE2-CD2 3.73Å; Y396-Y432 HydrophobicContact CE2-CE2 4.19Å; Y396-Y432 HydrophobicContact CG-CD2 4.08Å; Y396-Y432 AromaticContact CZ-CD2 3.72Å; Y396-S461 PolarHBondContact O-N 2.9Å |
| 397 | Y | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 145.3 | 179.7 | -71.1 | -92.1 | 0 | 0 | 0 | 111.7 | F389 P391 P392 K393 S395 S430 I431 L433 S459 L460 | F389-Y397 AromaticContact CE1-CD1 3.78Å; F389-Y397 HydrophobicContact CE1-CD1 3.78Å; F389-Y397 AromaticContact CE1-CE1 3.87Å; F389-Y397 HydrophobicContact CE1-CE1 3.87Å; F389-Y397 HydrophobicContact CE1-CG 4.22Å; F389-Y397 AromaticContact CZ-CD1 3.85Å; F389-Y397 HydrophobicContact CZ-CD1 3.85Å; F389-Y397 AromaticContact CZ-CE1 3.68Å; F389-Y397 HydrophobicContact CZ-CE1 3.68Å; P391-Y397 HydrophobicContact CB-CE2 3.83Å; P392-Y397 WeakPolarHBondContact CD-OH 3.21Å; K393-Y397 WeakPolarHBondContact O-CE2 2.83Å; K393-Y397 PolarHBondContact O-OH 3.07Å; S395-Y397 VanDerWaalsContact O-CD2 3.29Å; S395-Y397 WeakPolarHBondContact O-CD2 3.35Å; Y397-S430 CarbonylContact O-C 3.38Å; Y397-S430 WeakPolarHBondContact O-CA 3.08Å; Y397-I431 PolarHBondContact N-O 3.46Å; Y397-I431 PolarHBondContact O-N 3.31Å; Y397-L433 HydrophobicContact CD2-CB 3.79Å; Y397-L433 HydrophobicContact CD2-CD1 4Å; Y397-L433 HydrophobicContact CD2-CG 4.11Å; Y397-L433 HydrophobicContact CE2-CB 4.12Å; Y397-L433 HydrophobicContact CG-CD1 4.18Å; Y397-S459 CarbonylContact C-O 3.59Å; Y397-S459 WeakPolarHBondContact CA-O 3.36Å; Y397-S459 WeakPolarHBondContact CD1-O 3.32Å; Y397-L460 HydrophobicContact CD1-CB 3.94Å; Y397-L460 HydrophobicContact CE1-CB 3.63Å; Y397-L460 HydrophobicContact CE1-CD1 4.4Å; Y397-L460 HydrophobicContact CE1-CG 4.42Å |
| 398 | Q | 95.4 | Very high | 92.2 | Very high | 29 Ų | 29 | 30.9 Ų | 30.9 | 14% | 0.136 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142.3 | 161.1 | -57.6 | -174.3 | -67.6 | 0 | 0 | 109.1 | R427 T428 A458 S459 | Q398-R427 VanDerWaalsContact OE1-NH1 3.08Å; Q398-T428 PolarHBondContact NE2-O 3.4Å; Q398-A458 CarbonylContact O-C 3.58Å; Q398-A458 WeakPolarHBondContact O-CA 3.48Å; Q398-S459 PolarHBondContact N-O 2.87Å; Q398-S459 PolarHBondContact O-N 3.24Å |
| 399 | F | 96.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 139.2 | 171.2 | -58.3 | -72.2 | 0 | 0 | 0 | 109.6 | F389 L409 M421 R427 T428 L433 F439 L441 C457 A458 I991 | F389-F399 HydrophobicContact CB-CE1 4.41Å; F389-F399 AromaticContact CD1-CE1 3.74Å; F389-F399 HydrophobicContact CD1-CE1 3.74Å; F389-F399 AromaticContact CD1-CZ 3.75Å; F389-F399 HydrophobicContact CD1-CZ 3.75Å; F389-F399 HydrophobicContact CE1-CE1 4.09Å; F389-F399 HydrophobicContact CE1-CZ 4.22Å; F389-F399 AromaticContact CG-CE1 3.98Å; F389-F399 HydrophobicContact CG-CE1 3.98Å; F389-F399 HydrophobicContact CG-CZ 4.33Å; F399-L409 HydrophobicContact CB-CD2 3.75Å; F399-M421 HydrophobicContact CD2-CE 4.06Å; F399-M421 HydrophobicContact CD2-SD 4.06Å; F399-M421 HydrophobicContact CE2-CE 4.32Å; F399-R427 WeakPolarHBondContact O-CA 3.31Å; F399-T428 HydrophobicContact CB-CG2 3.94Å; F399-T428 PolarHBondContact N-OG1 3.13Å; F399-T428 PolarHBondContact O-N 3.19Å; F399-L433 HydrophobicContact CZ-CD1 4.08Å; F399-F439 HydrophobicContact CD2-CE1 4.44Å; F399-F439 AromaticContact CE2-CD1 3.88Å; F399-F439 HydrophobicContact CE2-CD1 3.88Å; F399-F439 AromaticContact CE2-CE1 3.51Å; F399-F439 HydrophobicContact CE2-CE1 3.51Å; F399-F439 HydrophobicContact CE2-CZ 4.39Å; F399-F439 AromaticContact CZ-CD1 3.81Å; F399-F439 HydrophobicContact CZ-CD1 3.81Å; F399-F439 AromaticContact CZ-CE1 3.95Å; F399-F439 HydrophobicContact CZ-CE1 3.95Å; F399-L441 HydrophobicContact CD1-CD1 3.57Å; F399-L441 HydrophobicContact CD1-CD2 4.18Å; F399-L441 HydrophobicContact CD2-CD2 3.82Å; F399-L441 HydrophobicContact CE1-CD1 3.39Å; F399-L441 HydrophobicContact CE1-CD2 4.19Å; F399-L441 HydrophobicContact CE1-CG 4.31Å; F399-L441 HydrophobicContact CE2-CD1 4.49Å; F399-L441 HydrophobicContact CE2-CD2 3.81Å; F399-L441 HydrophobicContact CG-CD1 4.21Å; F399-L441 HydrophobicContact CG-CD2 4Å; F399-L441 HydrophobicContact CZ-CD1 3.88Å; F399-L441 HydrophobicContact CZ-CD2 3.98Å; F399-L441 HydrophobicContact CZ-CG 4.35Å; F399-C457 CarbonylContact C-O 3.59Å; F399-C457 WeakPolarHBondContact CA-O 3.38Å; F399-A458 HydrophobicContact CD1-CB 4.11Å; F399-A458 HydrophobicContact CE1-CB 4.18Å; F399-I991 HydrophobicContact CD1-CD1 4.4Å |
| 400 | I | 94.8 | Very high | 92.3 | Very high | 17 Ų | 17 | 31.5 Ų | 31.5 | 9% | 0.087 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 126.3 | -174.1 | -45.4 | 179.3 | 0 | 0 | 0 | 107.9 | S426 R427 C457 V987 | I400-S426 VanDerWaalsContact CA-O 3.3Å; I400-S426 WeakPolarHBondContact CA-O 3.44Å; I400-S426 WeakPolarHBondContact CG2-O 3.48Å; I400-R427 HydrophobicContact CD1-CG 4.4Å; I400-R427 HydrophobicContact CG1-CG 4.04Å; I400-R427 HydrophobicContact CG2-CG 4.23Å; I400-C457 HydrophobicContact CB-CB 4.11Å; I400-C457 PolarHBondContact N-O 3.03Å; I400-C457 PolarHBondContact O-N 3.23Å; I400-V987 HydrophobicContact CD1-CG1 3.96Å |
| 401 | V | 92.1 | Very high | 92.3 | Very high | 0.5 Ų | 0.5 | 31.5 Ų | 31.5 | 0% | 0.003 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 117 | 177.4 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | Y407 L409 S426 L443 R455 L456 | V401-Y407 HydrophobicContact CB-CD2 4.14Å; V401-Y407 HydrophobicContact CB-CE1 4.43Å; V401-Y407 HydrophobicContact CB-CE2 3.62Å; V401-Y407 HydrophobicContact CG1-CD1 3.98Å; V401-Y407 HydrophobicContact CG1-CD2 3.79Å; V401-Y407 HydrophobicContact CG1-CE1 3.89Å; V401-Y407 HydrophobicContact CG1-CE2 3.67Å; V401-Y407 HydrophobicContact CG1-CG 3.96Å; V401-Y407 HydrophobicContact CG2-CD2 4.3Å; V401-Y407 HydrophobicContact CG2-CE2 4.01Å; V401-L409 HydrophobicContact CG2-CB 4.41Å; V401-L409 HydrophobicContact CG2-CD2 4.04Å; V401-S426 PolarHBondContact N-O 3.23Å; V401-S426 WeakPolarHBondContact O-CB 3.41Å; V401-L443 HydrophobicContact CG1-CD1 4Å; V401-L443 HydrophobicContact CG1-CD2 4.07Å; V401-L443 HydrophobicContact CG2-CD1 3.97Å; V401-R455 WeakPolarHBondContact CA-O 3.42Å; V401-L456 HydrophobicContact CG2-CD1 3.87Å |
| 402 | T | 87.8 | Confident | 92.3 | Very high | 64 Ų | 64 | 31.6 Ų | 31.6 | 39% | 0.393 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 101.4 | 170.8 | -14.5 | 0 | 0 | 0 | 0 | 108.9 | V453 I454 R455 | T402-V453 VanDerWaalsContact O-O 3.12Å; T402-I454 WeakPolarHBondContact O-CA 3.46Å; T402-R455 PolarHBondContact N-O 3.24Å; T402-R455 PolarHBondContact O-N 2.99Å; T402-R455 WeakPolarHBondContact OG1-CB 3.4Å |
| 403 | S | 85.4 | Confident | 92.2 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 16% | 0.161 | 19% | 0.191 | C | C | . | . | trans | -156.4 | 146.7 | 173.1 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | N405 V453 | S403-N405 VanDerWaalsContact C-N 3.33Å; S403-N405 WeakPolarHBondContact OG-CB 3.37Å; S403-N405 PolarHBondContact OG-N 2.91Å; S403-N405 VanDerWaalsContact OG-N 3.13Å; S403-V453 WeakPolarHBondContact CA-O 3.45Å | ||
| 404 | A | 82.6 | Confident | 91.9 | Very high | 98.5 Ų | 98.5 | 33.2 Ų | 33.2 | 81% | 0.814 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -87.2 | -7.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 405 | N | 85 | Confident | 91.2 | Very high | 13.5 Ų | 13.5 | 35.9 Ų | 35.9 | 7% | 0.072 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -81.3 | 167.2 | -179.7 | -65.6 | -27 | 0 | 0 | 0 | 111.8 | S403 Y407 S445 I446 I447 S452 | S403-N405 VanDerWaalsContact C-N 3.33Å; S403-N405 WeakPolarHBondContact OG-CB 3.37Å; S403-N405 PolarHBondContact OG-N 2.91Å; S403-N405 VanDerWaalsContact OG-N 3.13Å; N405-Y407 WeakPolarHBondContact O-CD1 3.29Å; N405-S445 WeakPolarHBondContact CB-OG 3.27Å; N405-I446 VanDerWaalsContact CB-O 3.23Å; N405-I446 WeakPolarHBondContact CB-O 3.35Å; N405-I446 VanDerWaalsContact CG-O 3.25Å; N405-I447 WeakPolarHBondContact ND2-CD1 3.5Å; N405-S452 WeakPolarHBondContact ND2-CB 3.27Å; N405-S452 PolarHBondContact ND2-OG 2.98Å; N405-S452 PolarHBondContact OD1-OG 2.96Å |
| 406 | T | 89.2 | Confident | 90.7 | Very high | 64.5 Ų | 64.5 | 39.8 Ų | 39.8 | 40% | 0.396 | 21% | 0.211 | S | C | . | . | trans | -76.5 | 126 | 165.6 | -59.2 | 0 | 0 | 0 | 0 | 109.4 | V345 S445 I446 | V345-T406 HydrophobicContact CG2-CG2 3.7Å; T406-S445 WeakPolarHBondContact O-CA 3.4Å; T406-I446 HydrophobicContact CG2-CD1 4.02Å; T406-I446 PolarHBondContact O-N 2.89Å | ||
| 407 | Y | 92.3 | Very high | 90.2 | Very high | 38 Ų | 38 | 38.3 Ų | 38.3 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 158.7 | -176.8 | 59.9 | -98.4 | 0 | 0 | 0 | 113.1 | V401 N405 I423 S426 L443 R444 | V401-Y407 HydrophobicContact CB-CD2 4.14Å; V401-Y407 HydrophobicContact CB-CE1 4.43Å; V401-Y407 HydrophobicContact CB-CE2 3.62Å; V401-Y407 HydrophobicContact CG1-CD1 3.98Å; V401-Y407 HydrophobicContact CG1-CD2 3.79Å; V401-Y407 HydrophobicContact CG1-CE1 3.89Å; V401-Y407 HydrophobicContact CG1-CE2 3.67Å; V401-Y407 HydrophobicContact CG1-CG 3.96Å; V401-Y407 HydrophobicContact CG2-CD2 4.3Å; V401-Y407 HydrophobicContact CG2-CE2 4.01Å; N405-Y407 WeakPolarHBondContact O-CD1 3.29Å; Y407-I423 HydrophobicContact CD2-CD1 4.2Å; Y407-I423 HydrophobicContact CE2-CD1 3.67Å; Y407-S426 PolarHBondContact OH-OG 2.79Å; Y407-L443 HydrophobicContact CD2-CD1 4.07Å; Y407-L443 HydrophobicContact CG-CD1 4.28Å; Y407-R444 CarbonylContact C-O 3.53Å; Y407-R444 WeakPolarHBondContact CA-O 3.28Å; Y407-R444 VanDerWaalsContact CB-O 3.32Å; Y407-R444 WeakPolarHBondContact CB-O 3.36Å |
| 408 | A | 94.2 | Very high | 89.8 | Confident | 1.5 Ų | 1.5 | 40.5 Ų | 40.5 | 1% | 0.012 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | V345 L348 L349 L410 R444 | V345-A408 HydrophobicContact CG1-CB 4.01Å; L348-A408 HydrophobicContact CB-CB 4.46Å; L348-A408 HydrophobicContact CD1-CB 4.38Å; L349-A408 HydrophobicContact CD2-CB 4.03Å; L349-A408 HydrophobicContact CG-CB 4.33Å; A408-L410 HydrophobicContact CB-CD1 4.46Å; A408-R444 HydrophobicContact CB-CB 4.48Å; A408-R444 PolarHBondContact N-O 3.08Å; A408-R444 PolarHBondContact O-N 3.17Å |
| 409 | L | 95.7 | Very high | 89.7 | Confident | 0.5 Ų | 0.5 | 43 Ų | 43 | 0% | 0.003 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124.7 | 171 | -174.7 | 66.1 | 0 | 0 | 0 | 108.7 | F399 V401 M421 I423 T428 L443 L456 | F399-L409 HydrophobicContact CB-CD2 3.75Å; V401-L409 HydrophobicContact CG2-CB 4.41Å; V401-L409 HydrophobicContact CG2-CD2 4.04Å; L409-M421 HydrophobicContact CB-CE 4.37Å; L409-M421 HydrophobicContact CD1-CE 4.35Å; L409-M421 HydrophobicContact CD2-CE 3.32Å; L409-M421 HydrophobicContact CD2-SD 4.08Å; L409-M421 HydrophobicContact CG-CE 3.38Å; L409-M421 HydrophobicContact CG-SD 4.37Å; L409-M421 PolarHBondContact O-N 3.09Å; L409-I423 HydrophobicContact CB-CD1 3.84Å; L409-T428 HydrophobicContact CD2-CG2 3.87Å; L409-L443 HydrophobicContact CB-CD1 4.26Å; L409-L443 HydrophobicContact CD1-CB 4Å; L409-L443 HydrophobicContact CD1-CD1 4.17Å; L409-L456 HydrophobicContact CD1-CD1 3.9Å; L409-L456 HydrophobicContact CD1-CD2 4.39Å; L409-L456 HydrophobicContact CD2-CD1 4.04Å |
| 410 | L | 95.3 | Very high | 89.5 | Confident | 12.5 Ų | 12.5 | 48 Ų | 48 | 7% | 0.065 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 147 | 173 | -57.4 | 87.3 | 0 | 0 | 0 | 109.3 | L349 A408 L418 T419 L441 E442 R444 | L349-L410 HydrophobicContact CD2-CD1 4.07Å; L349-L410 HydrophobicContact CD2-CD2 4.11Å; L349-L410 HydrophobicContact CD2-CG 4.16Å; A408-L410 HydrophobicContact CB-CD1 4.46Å; L410-L418 HydrophobicContact CB-CB 4.27Å; L410-L418 HydrophobicContact CD2-CB 4.36Å; L410-T419 CarbonylContact C-O 3.5Å; L410-T419 VanDerWaalsContact CA-O 3.23Å; L410-T419 WeakPolarHBondContact CA-O 3.3Å; L410-L441 WeakPolarHBondContact O-CA 3.23Å; L410-E442 HydrophobicContact CB-CB 4.34Å; L410-E442 PolarHBondContact N-O 2.8Å; L410-E442 PolarHBondContact O-N 2.89Å; L410-R444 HydrophobicContact CD1-CG 4.05Å |
| 411 | G | 94.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 164.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T419 L440 | G411-T419 PolarHBondContact N-O 3.2Å; G411-T419 PolarHBondContact O-N 3.23Å; G411-T419 VanDerWaalsContact O-N 3.09Å; G411-T419 PolarHBondContact O-OG1 2.99Å; G411-L440 VanDerWaalsContact CA-O 3.27Å; G411-L440 WeakPolarHBondContact CA-O 3.42Å |
| 412 | G | 93.3 | Very high | 89.5 | Confident | 3.5 Ų | 3.5 | 52.1 Ų | 52.1 | 4% | 0.036 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.2 | 163.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L440 | G412-L440 PolarHBondContact N-O 3.08Å; G412-L440 VanDerWaalsContact N-O 3.14Å; G412-L440 PolarHBondContact O-N 3.15Å |
| 413 | R | 90.8 | Very high | 89.7 | Confident | 104.5 Ų | 104.5 | 51.5 Ų | 51.5 | 39% | 0.394 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 162.5 | 171.8 | -60.3 | -174 | 177 | 97.5 | 0.2 | 110.7 | N415 E416 E437 F439 | R413-N415 PolarHBondContact O-N 2.85Å; R413-N415 VanDerWaalsContact O-N 3.13Å; R413-E416 HydrophobicContact CB-CB 4.44Å; R413-E416 HydrophobicContact CB-CG 4.05Å; R413-E416 WeakPolarHBondContact CD-OE1 3.28Å; R413-E416 IonicContact CZ-OE1 3.42Å; R413-E416 PolarHBondContact N-OE2 3.39Å; R413-E416 VanDerWaalsContact N-OE2 3.12Å; R413-E416 IonicContact NH1-OE1 3.04Å; R413-E416 PolarHBondContact NH1-OE1 3.09Å; R413-E416 WeakPolarHBondContact O-CB 3.47Å; R413-E416 PolarHBondContact O-N 3.15Å; R413-E437 WeakPolarHBondContact CD-OE1 3.41Å; R413-E437 IonicContact CZ-OE1 2.79Å; R413-E437 IonicContact NE-OE1 2.74Å; R413-E437 PolarHBondContact NE-OE1 3.1Å; R413-E437 IonicContact NH2-OE1 3.22Å; R413-F439 HydrophobicContact CG-CD2 4.34Å |
| 414 | I | 83.7 | Confident | 89.9 | Confident | 15.5 Ų | 15.5 | 54.9 Ų | 54.9 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -34.8 | -175.6 | -69.3 | 165.8 | 0 | 0 | 0 | 114.3 | Y297 P323 F325 D438 | Y297-I414 HydrophobicContact CE1-CD1 3.95Å; Y297-I414 WeakPolarHBondContact OH-CD1 3.25Å; P323-I414 HydrophobicContact CB-CG2 3.68Å; F325-I414 HydrophobicContact CD2-CG1 4.33Å; F325-I414 HydrophobicContact CD2-CG2 4.13Å; F325-I414 WeakPolarHBondContact CE1-O 3.44Å; F325-I414 HydrophobicContact CE2-CB 3.99Å; F325-I414 HydrophobicContact CE2-CG1 3.65Å; F325-I414 HydrophobicContact CE2-CG2 4.01Å; F325-I414 HydrophobicContact CZ-CB 4.12Å; F325-I414 HydrophobicContact CZ-CG1 4.18Å; F325-I414 HydrophobicContact CZ-CG2 4.28Å; F325-I414 WeakPolarHBondContact O-CG2 3.38Å; I414-D438 HydrophobicContact CD1-CB 3.34Å; I414-D438 HydrophobicContact CG1-CB 4Å |
| 415 | N | 80.6 | Confident | 90.1 | Very high | 128.5 Ų | 128.5 | 57.5 Ų | 57.5 | 69% | 0.687 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -2.3 | -179 | -63.2 | -22.9 | 0 | 0 | 0 | 113.2 | R413 | R413-N415 PolarHBondContact O-N 2.85Å; R413-N415 VanDerWaalsContact O-N 3.13Å |
| 416 | E | 84.8 | Confident | 90.5 | Very high | 85 Ų | 85 | 59.2 Ų | 59.2 | 40% | 0.397 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -98.7 | 153.9 | -178.8 | -65.8 | 170.2 | -175.7 | 0 | 0 | 110.6 | R413 | R413-E416 HydrophobicContact CB-CB 4.44Å; R413-E416 HydrophobicContact CB-CG 4.05Å; R413-E416 WeakPolarHBondContact CD-OE1 3.28Å; R413-E416 IonicContact CZ-OE1 3.42Å; R413-E416 PolarHBondContact N-OE2 3.39Å; R413-E416 VanDerWaalsContact N-OE2 3.12Å; R413-E416 IonicContact NH1-OE1 3.04Å; R413-E416 PolarHBondContact NH1-OE1 3.09Å; R413-E416 WeakPolarHBondContact O-CB 3.47Å; R413-E416 PolarHBondContact O-N 3.15Å |
| 417 | T | 84.4 | Confident | 90.6 | Very high | 102 Ų | 102 | 59.2 Ų | 59.2 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 132.6 | 166.7 | 48.8 | 0 | 0 | 0 | 0 | 109.5 | T419 | T417-T419 PolarHBondContact O-N 3.28Š|
| 418 | L | 88.3 | Confident | 90.8 | Very high | 45.5 Ų | 45.5 | 57.6 Ų | 57.6 | 24% | 0.238 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 125.8 | 174.3 | -77.3 | 178 | 0 | 0 | 0 | 110.7 | L410 L440 E442 | L410-L418 HydrophobicContact CB-CB 4.27Å; L410-L418 HydrophobicContact CD2-CB 4.36Å; L418-L440 HydrophobicContact CD1-CD2 3.74Å; L418-L440 HydrophobicContact CD1-CG 4.34Å; L418-L440 HydrophobicContact CD2-CB 4.11Å; L418-L440 HydrophobicContact CD2-CD2 3.78Å; L418-L440 HydrophobicContact CD2-CG 3.86Å; L418-L440 HydrophobicContact CG-CD2 3.89Å; L418-L440 HydrophobicContact CG-CG 4.39Å; L418-E442 HydrophobicContact CD1-CB 4.2Å |
| 419 | T | 91.8 | Very high | 90.7 | Very high | 82.5 Ų | 82.5 | 64.7 Ų | 64.7 | 51% | 0.506 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 147.1 | 177.9 | 58.3 | 0 | 0 | 0 | 0 | 110.4 | L410 G411 T417 M421 | L410-T419 CarbonylContact C-O 3.5Å; L410-T419 VanDerWaalsContact CA-O 3.23Å; L410-T419 WeakPolarHBondContact CA-O 3.3Å; G411-T419 PolarHBondContact N-O 3.2Å; G411-T419 PolarHBondContact O-N 3.23Å; G411-T419 VanDerWaalsContact O-N 3.09Å; G411-T419 PolarHBondContact O-OG1 2.99Å; T417-T419 PolarHBondContact O-N 3.28Å; T419-M421 PolarHBondContact O-N 2.9Å |
| 420 | Q | 93.1 | Very high | 90.6 | Very high | 104.5 Ų | 104.5 | 67.8 Ų | 67.8 | 49% | 0.488 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 124.8 | 172.1 | -176.9 | -170.6 | 4 | 0 | 0 | 109.4 | L349 | L349-Q420 HydrophobicContact CD1-CB 4.4Å; L349-Q420 VanDerWaalsContact CD1-CD 3.41Å; L349-Q420 HydrophobicContact CD1-CG 4.15Å; L349-Q420 HydrophobicContact CD2-CB 4.14Å; L349-Q420 HydrophobicContact CD2-CG 4.23Å |
| 421 | M | 94 | Very high | 90.5 | Very high | 17.5 Ų | 17.5 | 69.4 Ų | 69.4 | 9% | 0.086 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -80.4 | 138 | 175.2 | -61.9 | -164.3 | -120 | 0 | 0 | 110.8 | F399 L409 T419 I423 T428 I431 F439 L441 | F399-M421 HydrophobicContact CD2-CE 4.06Å; F399-M421 HydrophobicContact CD2-SD 4.06Å; F399-M421 HydrophobicContact CE2-CE 4.32Å; L409-M421 HydrophobicContact CB-CE 4.37Å; L409-M421 HydrophobicContact CD1-CE 4.35Å; L409-M421 HydrophobicContact CD2-CE 3.32Å; L409-M421 HydrophobicContact CD2-SD 4.08Å; L409-M421 HydrophobicContact CG-CE 3.38Å; L409-M421 HydrophobicContact CG-SD 4.37Å; L409-M421 PolarHBondContact O-N 3.09Å; T419-M421 PolarHBondContact O-N 2.9Å; M421-I423 PolarHBondContact O-N 3.14Å; M421-T428 HydrophobicContact CB-CG2 3.88Å; M421-T428 HydrophobicContact CE-CG2 4.1Å; M421-T428 HydrophobicContact CG-CG2 4.42Å; M421-T428 HydrophobicContact SD-CG2 3.8Å; M421-T428 VanDerWaalsContact SD-CG2 3.55Å; M421-I431 HydrophobicContact SD-CD1 4.14Å; M421-F439 HydrophobicContact CE-CE1 3.63Å; M421-F439 HydrophobicContact CE-CZ 3.95Å; M421-F439 HydrophobicContact SD-CE1 4.45Å; M421-L441 HydrophobicContact CE-CD2 3.45Å; M421-L441 VanDerWaalsContact CE-CD2 3.45Å |
| 422 | T | 92.8 | Very high | 90.6 | Very high | 87.5 Ų | 87.5 | 74 Ų | 74 | 54% | 0.537 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 123.1 | 172.8 | -47.1 | 0 | 0 | 0 | 0 | 109.9 | T428 | T422-T428 WeakPolarHBondContact O-CA 3.39Š|
| 423 | I | 91 | Very high | 90.7 | Very high | 50.5 Ų | 50.5 | 73.8 Ų | 73.8 | 26% | 0.259 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 130.3 | -178.9 | -57.7 | 176.9 | 0 | 0 | 0 | 109.8 | Y407 L409 M421 R427 T428 | Y407-I423 HydrophobicContact CD2-CD1 4.2Å; Y407-I423 HydrophobicContact CE2-CD1 3.67Å; L409-I423 HydrophobicContact CB-CD1 3.84Å; M421-I423 PolarHBondContact O-N 3.14Å; I423-R427 CarbonylContact C-O 3.54Å; I423-R427 VanDerWaalsContact CA-O 3.26Å; I423-R427 WeakPolarHBondContact CA-O 3.43Å; I423-T428 HydrophobicContact CG1-CG2 4.3Å |
| 424 | T | 89.4 | Confident | 90.9 | Very high | 95.5 Ų | 95.5 | 72.3 Ų | 72.3 | 59% | 0.586 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 128.8 | 173.1 | -51.7 | 0 | 0 | 0 | 0 | 108.1 | S426 R427 | T424-S426 VanDerWaalsContact C-N 3.26Å; T424-S426 PolarHBondContact O-N 3.37Å; T424-R427 PolarHBondContact N-O 3.06Å; T424-R427 PolarHBondContact O-N 3.31Å |
| 425 | N | 88.4 | Confident | 91.4 | Very high | 151.5 Ų | 151.5 | 77 Ų | 77 | 81% | 0.81 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 45.9 | -175.2 | -60.7 | -24.1 | 0 | 0 | 0 | 112.9 | R427 | N425-R427 PolarHBondContact O-N 3.14Š|
| 426 | S | 91.6 | Very high | 91.9 | Very high | 49.5 Ų | 49.5 | 74.3 Ų | 74.3 | 35% | 0.346 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 10.6 | -179 | -54 | 0 | 0 | 0 | 0 | 116.4 | I400 V401 Y407 T424 | I400-S426 VanDerWaalsContact CA-O 3.3Å; I400-S426 WeakPolarHBondContact CA-O 3.44Å; I400-S426 WeakPolarHBondContact CG2-O 3.48Å; V401-S426 PolarHBondContact N-O 3.23Å; V401-S426 WeakPolarHBondContact O-CB 3.41Å; Y407-S426 PolarHBondContact OH-OG 2.79Å; T424-S426 VanDerWaalsContact C-N 3.26Å; T424-S426 PolarHBondContact O-N 3.37Å |
| 427 | R | 93.1 | Very high | 92.2 | Very high | 64.5 Ų | 64.5 | 71.9 Ų | 71.9 | 24% | 0.243 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.3 | 179.6 | -60.8 | -172.8 | 163.1 | -135.7 | 2.4 | 112.8 | Q398 F399 I400 I423 T424 N425 E985 | Q398-R427 VanDerWaalsContact OE1-NH1 3.08Å; F399-R427 WeakPolarHBondContact O-CA 3.31Å; I400-R427 HydrophobicContact CD1-CG 4.4Å; I400-R427 HydrophobicContact CG1-CG 4.04Å; I400-R427 HydrophobicContact CG2-CG 4.23Å; I423-R427 CarbonylContact C-O 3.54Å; I423-R427 VanDerWaalsContact CA-O 3.26Å; I423-R427 WeakPolarHBondContact CA-O 3.43Å; T424-R427 PolarHBondContact N-O 3.06Å; T424-R427 PolarHBondContact O-N 3.31Å; N425-R427 PolarHBondContact O-N 3.14Å; R427-E985 IonicContact CZ-OE1 2.78Å; R427-E985 IonicContact CZ-OE2 3.13Å; R427-E985 VanDerWaalsContact NH1-CD 3.28Å; R427-E985 IonicContact NH1-OE1 3.72Å; R427-E985 PolarHBondContact NH1-OE1 3.08Å; R427-E985 IonicContact NH1-OE2 3.32Å; R427-E985 PolarHBondContact NH1-OE2 2.68Å; R427-E985 IonicContact NH2-OE1 3.73Å; R427-E985 PolarHBondContact NH2-OE1 2.98Å; R427-E985 IonicContact NH2-OE2 3.67Å |
| 428 | T | 95.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 67.8 Ų | 67.8 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 167.7 | 169.7 | 66.9 | 0 | 0 | 0 | 0 | 111.9 | Q398 F399 L409 M421 T422 I423 | Q398-T428 PolarHBondContact NE2-O 3.4Å; F399-T428 HydrophobicContact CB-CG2 3.94Å; F399-T428 PolarHBondContact N-OG1 3.13Å; F399-T428 PolarHBondContact O-N 3.19Å; L409-T428 HydrophobicContact CD2-CG2 3.87Å; M421-T428 HydrophobicContact CB-CG2 3.88Å; M421-T428 HydrophobicContact CE-CG2 4.1Å; M421-T428 HydrophobicContact CG-CG2 4.42Å; M421-T428 HydrophobicContact SD-CG2 3.8Å; M421-T428 VanDerWaalsContact SD-CG2 3.55Å; T422-T428 WeakPolarHBondContact O-CA 3.39Å; I423-T428 HydrophobicContact CG1-CG2 4.3Å |
| 429 | K | 93.2 | Very high | 92.9 | Very high | 149 Ų | 149 | 66.1 Ų | 66.1 | 65% | 0.648 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 155.1 | 159.9 | -67.6 | -174.8 | 178.3 | 179.5 | 0 | 110.6 | ||
| 430 | S | 91.9 | Very high | 93.1 | Very high | 66 Ų | 66 | 62.2 Ų | 62.2 | 46% | 0.462 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 133.6 | 174.6 | -57.8 | 0 | 0 | 0 | 0 | 111 | Y397 | Y397-S430 CarbonylContact O-C 3.38Å; Y397-S430 WeakPolarHBondContact O-CA 3.08Å |
| 431 | I | 94.2 | Very high | 93.2 | Very high | 47 Ų | 47 | 57.3 Ų | 57.3 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 131.6 | 178.8 | -57.6 | 169 | 0 | 0 | 0 | 107.4 | Y396 Y397 M421 L433 F439 | Y396-I431 WeakPolarHBondContact CA-O 3.34Å; Y397-I431 PolarHBondContact N-O 3.46Å; Y397-I431 PolarHBondContact O-N 3.31Å; M421-I431 HydrophobicContact SD-CD1 4.14Å; I431-L433 HydrophobicContact CG2-CD2 3.97Å; I431-L433 HydrophobicContact CG2-CG 4.33Å; I431-F439 HydrophobicContact CD1-CZ 4.15Å |
| 432 | Y | 95.6 | Very high | 93.2 | Very high | 98 Ų | 98 | 56.7 Ų | 56.7 | 38% | 0.384 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 125.6 | 174.8 | -169.4 | -91.8 | 0 | 0 | 0 | 109.9 | Y396 N434 | Y396-Y432 HydrophobicContact CD1-CD2 4.06Å; Y396-Y432 AromaticContact CD2-CD2 3.91Å; Y396-Y432 HydrophobicContact CD2-CD2 3.91Å; Y396-Y432 HydrophobicContact CD2-CE2 4.44Å; Y396-Y432 AromaticContact CE1-CD2 3.89Å; Y396-Y432 HydrophobicContact CE1-CD2 3.89Å; Y396-Y432 HydrophobicContact CE1-CG 4.34Å; Y396-Y432 AromaticContact CE2-CD2 3.73Å; Y396-Y432 HydrophobicContact CE2-CD2 3.73Å; Y396-Y432 HydrophobicContact CE2-CE2 4.19Å; Y396-Y432 HydrophobicContact CG-CD2 4.08Å; Y396-Y432 AromaticContact CZ-CD2 3.72Å; Y432-N434 WeakPolarHBondContact CE1-OD1 3.39Å |
| 433 | L | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 139.2 | 176.7 | -57.1 | 174.3 | 0 | 0 | 0 | 109.8 | F389 P391 N394 S395 Y397 F399 I431 F439 | F389-L433 HydrophobicContact CD1-CD1 3.98Å; F389-L433 HydrophobicContact CE1-CD1 4.05Å; P391-L433 HydrophobicContact CB-CB 4.34Å; P391-L433 HydrophobicContact CG-CB 3.67Å; P391-L433 HydrophobicContact CG-CD1 3.94Å; P391-L433 HydrophobicContact CG-CG 4.43Å; N394-L433 WeakPolarHBondContact CA-O 3.23Å; S395-L433 PolarHBondContact N-O 3.4Å; S395-L433 VanDerWaalsContact N-O 3.16Å; S395-L433 PolarHBondContact O-N 3.44Å; Y397-L433 HydrophobicContact CD2-CB 3.79Å; Y397-L433 HydrophobicContact CD2-CD1 4Å; Y397-L433 HydrophobicContact CD2-CG 4.11Å; Y397-L433 HydrophobicContact CE2-CB 4.12Å; Y397-L433 HydrophobicContact CG-CD1 4.18Å; F399-L433 HydrophobicContact CZ-CD1 4.08Å; I431-L433 HydrophobicContact CG2-CD2 3.97Å; I431-L433 HydrophobicContact CG2-CG 4.33Å; L433-F439 HydrophobicContact CD1-CB 4.2Å; L433-F439 HydrophobicContact CD1-CD1 4.42Å; L433-F439 HydrophobicContact CD1-CD2 4.44Å; L433-F439 HydrophobicContact CD1-CG 4.1Å; L433-F439 HydrophobicContact CD2-CB 4.3Å; L433-F439 HydrophobicContact CD2-CD2 3.5Å; L433-F439 VanDerWaalsContact CD2-CD2 3.47Å; L433-F439 HydrophobicContact CD2-CE2 3.98Å; L433-F439 HydrophobicContact CD2-CG 3.97Å |
| 434 | N | 95.8 | Very high | 93.3 | Very high | 72.5 Ų | 72.5 | 51.5 Ų | 51.5 | 39% | 0.388 | 26% | 0.257 | S | S | . | . | trans | -82.4 | 155.2 | 174.6 | -58.3 | -72.5 | 0 | 0 | 0 | 110.9 | P391 Y432 N436 E437 | P391-N434 WeakPolarHBondContact CB-O 3.37Å; P391-N434 WeakPolarHBondContact CG-O 3.25Å; Y432-N434 WeakPolarHBondContact CE1-OD1 3.39Å; N434-N436 PolarHBondContact O-N 3.32Å; N434-E437 HydrophobicContact CB-CB 4.19Å; N434-E437 PolarHBondContact N-OE2 3.26Å; N434-E437 PolarHBondContact ND2-OE2 3.32Å; N434-E437 WeakPolarHBondContact O-CB 3.19Å; N434-E437 PolarHBondContact O-N 3.35Å | ||
| 435 | R | 93.3 | Very high | 93.4 | Very high | 114.5 Ų | 114.5 | 46.9 Ų | 46.9 | 43% | 0.432 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 131.2 | 172.3 | -179.9 | 171.5 | -168.9 | -96.4 | 3.5 | 109.3 | P392 N394 E437 | P392-R435 WeakPolarHBondContact O-CD 3.49Å; P392-R435 WeakPolarHBondContact O-CG 3.46Å; P392-R435 PolarHBondContact O-NE 3.09Å; N394-R435 VanDerWaalsContact OD1-CB 3.29Å; N394-R435 WeakPolarHBondContact OD1-CB 3.03Å; N394-R435 PolarHBondContact OD1-N 2.99Å; R435-E437 PolarHBondContact O-N 2.97Å |
| 436 | N | 91.1 | Very high | 93.5 | Very high | 72 Ų | 72 | 41 Ų | 41 | 39% | 0.385 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 12.2 | -178.3 | -52.6 | -27.2 | 0 | 0 | 0 | 115.1 | R249 P391 N434 D438 | R249-N436 PolarHBondContact NH2-OD1 2.89Å; P391-N436 PolarHBondContact O-N 2.79Å; N434-N436 PolarHBondContact O-N 3.32Å; N436-D438 PolarHBondContact O-N 3.1Å |
| 437 | E | 92.1 | Very high | 93.2 | Very high | 34 Ų | 34 | 38.7 Ų | 38.7 | 16% | 0.159 | 18% | 0.181 | C | C | . | . | trans | -71.3 | 119.8 | 170.9 | -176.6 | 176.7 | 168.5 | 0 | 0 | 109.9 | P391 R413 N434 R435 F439 | P391-E437 WeakPolarHBondContact CD-O 3.42Å; R413-E437 WeakPolarHBondContact CD-OE1 3.41Å; R413-E437 IonicContact CZ-OE1 2.79Å; R413-E437 IonicContact NE-OE1 2.74Å; R413-E437 PolarHBondContact NE-OE1 3.1Å; R413-E437 IonicContact NH2-OE1 3.22Å; N434-E437 HydrophobicContact CB-CB 4.19Å; N434-E437 PolarHBondContact N-OE2 3.26Å; N434-E437 PolarHBondContact ND2-OE2 3.32Å; N434-E437 WeakPolarHBondContact O-CB 3.19Å; N434-E437 PolarHBondContact O-N 3.35Å; R435-E437 PolarHBondContact O-N 2.97Å; E437-F439 PolarHBondContact O-N 3.02Å; E437-F439 VanDerWaalsContact O-N 3.16Å | ||
| 438 | D | 92.7 | Very high | 92.5 | Very high | 16.5 Ų | 16.5 | 39.1 Ų | 39.1 | 9% | 0.088 | 19% | 0.193 | C | C | . | . | trans | -73.2 | 114.6 | 179.2 | -66.4 | -45.2 | 0 | 0 | 0 | 110.8 | Y297 I388 I414 N436 R1006 | Y297-D438 WeakPolarHBondContact CE1-OD2 3.44Å; I388-D438 HydrophobicContact CG2-CB 3.67Å; I414-D438 HydrophobicContact CD1-CB 3.34Å; I414-D438 HydrophobicContact CG1-CB 4Å; N436-D438 PolarHBondContact O-N 3.1Å; D438-R1006 IonicContact OD1-NH1 2.66Å; D438-R1006 IonicContact OD1-NH2 2.75Å; D438-R1006 IonicContact OD2-NH1 3Å | ||
| 439 | F | 95 | Very high | 91.4 | Very high | 8.5 Ų | 8.5 | 44.5 Ų | 44.5 | 4% | 0.037 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 114.7 | -178.2 | -168.8 | -96.2 | 0 | 0 | 0 | 111.3 | I388 F389 F399 R413 M421 I431 L433 E437 L441 | I388-F439 CarbonylContact C-O 3.55Å; F389-F439 PolarHBondContact N-O 3.39Å; F389-F439 PolarHBondContact O-N 3.07Å; F399-F439 HydrophobicContact CD2-CE1 4.44Å; F399-F439 AromaticContact CE2-CD1 3.88Å; F399-F439 HydrophobicContact CE2-CD1 3.88Å; F399-F439 AromaticContact CE2-CE1 3.51Å; F399-F439 HydrophobicContact CE2-CE1 3.51Å; F399-F439 HydrophobicContact CE2-CZ 4.39Å; F399-F439 AromaticContact CZ-CD1 3.81Å; F399-F439 HydrophobicContact CZ-CD1 3.81Å; F399-F439 AromaticContact CZ-CE1 3.95Å; F399-F439 HydrophobicContact CZ-CE1 3.95Å; R413-F439 HydrophobicContact CG-CD2 4.34Å; M421-F439 HydrophobicContact CE-CE1 3.63Å; M421-F439 HydrophobicContact CE-CZ 3.95Å; M421-F439 HydrophobicContact SD-CE1 4.45Å; I431-F439 HydrophobicContact CD1-CZ 4.15Å; L433-F439 HydrophobicContact CD1-CB 4.2Å; L433-F439 HydrophobicContact CD1-CD1 4.42Å; L433-F439 HydrophobicContact CD1-CD2 4.44Å; L433-F439 HydrophobicContact CD1-CG 4.1Å; L433-F439 HydrophobicContact CD2-CB 4.3Å; L433-F439 HydrophobicContact CD2-CD2 3.5Å; L433-F439 VanDerWaalsContact CD2-CD2 3.47Å; L433-F439 HydrophobicContact CD2-CE2 3.98Å; L433-F439 HydrophobicContact CD2-CG 3.97Å; E437-F439 PolarHBondContact O-N 3.02Å; E437-F439 VanDerWaalsContact O-N 3.16Å; F439-L441 HydrophobicContact CD1-CD2 3.91Å; F439-L441 HydrophobicContact CD1-CG 4.09Å; F439-L441 HydrophobicContact CE1-CD2 3.67Å; F439-L441 HydrophobicContact CE1-CG 4.36Å |
| 440 | L | 94.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 132.7 | -175.7 | -177.1 | 64.1 | 0 | 0 | 0 | 111 | F325 M387 I388 G411 G412 L418 K999 | F325-L440 HydrophobicContact CD1-CD2 4.12Å; F325-L440 HydrophobicContact CD2-CD2 4.46Å; F325-L440 HydrophobicContact CE1-CB 4.47Å; F325-L440 HydrophobicContact CE1-CD2 3.55Å; F325-L440 HydrophobicContact CE2-CB 3.77Å; F325-L440 HydrophobicContact CE2-CD2 3.92Å; F325-L440 HydrophobicContact CE2-CG 4.27Å; F325-L440 HydrophobicContact CZ-CB 3.49Å; F325-L440 VanDerWaalsContact CZ-CB 3.49Å; F325-L440 HydrophobicContact CZ-CD2 3.37Å; F325-L440 HydrophobicContact CZ-CG 3.99Å; M387-L440 WeakPolarHBondContact O-CD1 3.47Å; I388-L440 HydrophobicContact CG1-CB 4.48Å; I388-L440 HydrophobicContact CG1-CD1 3.76Å; G411-L440 VanDerWaalsContact CA-O 3.27Å; G411-L440 WeakPolarHBondContact CA-O 3.42Å; G412-L440 PolarHBondContact N-O 3.08Å; G412-L440 VanDerWaalsContact N-O 3.14Å; G412-L440 PolarHBondContact O-N 3.15Å; L418-L440 HydrophobicContact CD1-CD2 3.74Å; L418-L440 HydrophobicContact CD1-CG 4.34Å; L418-L440 HydrophobicContact CD2-CB 4.11Å; L418-L440 HydrophobicContact CD2-CD2 3.78Å; L418-L440 HydrophobicContact CD2-CG 3.86Å; L418-L440 HydrophobicContact CG-CD2 3.89Å; L418-L440 HydrophobicContact CG-CG 4.39Å; L440-K999 HydrophobicContact CD1-CB 4.2Å; L440-K999 HydrophobicContact CD1-CD 3.75Å; L440-K999 HydrophobicContact CD1-CG 4.06Å; L440-K999 HydrophobicContact CD2-CD 4.03Å; L440-K999 HydrophobicContact CG-CD 4.5Å |
| 441 | L | 95.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 133.8 | 175.5 | -66.8 | 171.4 | 0 | 0 | 0 | 110.2 | S386 M387 F389 F399 L410 M421 F439 L456 I991 | S386-L441 WeakPolarHBondContact CA-O 3.31Å; M387-L441 HydrophobicContact CG-CB 4.03Å; M387-L441 HydrophobicContact CG-CD1 4.42Å; M387-L441 PolarHBondContact N-O 2.81Å; M387-L441 PolarHBondContact O-N 3.19Å; M387-L441 HydrophobicContact SD-CD1 4.49Å; F389-L441 HydrophobicContact CB-CD1 3.75Å; F389-L441 HydrophobicContact CB-CG 4.4Å; F389-L441 HydrophobicContact CG-CD1 4.46Å; F399-L441 HydrophobicContact CD1-CD1 3.57Å; F399-L441 HydrophobicContact CD1-CD2 4.18Å; F399-L441 HydrophobicContact CD2-CD2 3.82Å; F399-L441 HydrophobicContact CE1-CD1 3.39Å; F399-L441 HydrophobicContact CE1-CD2 4.19Å; F399-L441 HydrophobicContact CE1-CG 4.31Å; F399-L441 HydrophobicContact CE2-CD1 4.49Å; F399-L441 HydrophobicContact CE2-CD2 3.81Å; F399-L441 HydrophobicContact CG-CD1 4.21Å; F399-L441 HydrophobicContact CG-CD2 4Å; F399-L441 HydrophobicContact CZ-CD1 3.88Å; F399-L441 HydrophobicContact CZ-CD2 3.98Å; F399-L441 HydrophobicContact CZ-CG 4.35Å; L410-L441 WeakPolarHBondContact O-CA 3.23Å; M421-L441 HydrophobicContact CE-CD2 3.45Å; M421-L441 VanDerWaalsContact CE-CD2 3.45Å; F439-L441 HydrophobicContact CD1-CD2 3.91Å; F439-L441 HydrophobicContact CD1-CG 4.09Å; F439-L441 HydrophobicContact CE1-CD2 3.67Å; F439-L441 HydrophobicContact CE1-CG 4.36Å; L441-L456 HydrophobicContact CB-CD2 4.19Å; L441-L456 HydrophobicContact CD1-CD2 3.85Å; L441-L456 HydrophobicContact CG-CD2 4.47Å; L441-I991 HydrophobicContact CD1-CD1 4.14Å |
| 442 | E | 94 | Very high | 87.5 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.019 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 114.2 | 173.5 | -171.7 | 175.4 | 110.5 | 0 | 0 | 110.8 | R384 L385 L410 L418 R444 K999 | R384-E442 HydrophobicContact CG-CG 3.84Å; R384-E442 IonicContact CZ-OE2 3.75Å; R384-E442 VanDerWaalsContact NE-CD 3.27Å; R384-E442 IonicContact NE-OE1 3.66Å; R384-E442 IonicContact NE-OE2 3.99Å; R384-E442 PolarHBondContact NE-OE2 3.25Å; R384-E442 IonicContact NH2-OE2 2.76Å; R384-E442 PolarHBondContact NH2-OE2 2.95Å; L385-E442 CarbonylContact O-C 3.46Å; L385-E442 VanDerWaalsContact O-CA 3.26Å; L385-E442 WeakPolarHBondContact O-CA 3.31Å; L410-E442 HydrophobicContact CB-CB 4.34Å; L410-E442 PolarHBondContact N-O 2.8Å; L410-E442 PolarHBondContact O-N 2.89Å; L418-E442 HydrophobicContact CD1-CB 4.2Å; E442-R444 HydrophobicContact CG-CG 4.44Å; E442-R444 IonicContact OE1-CZ 3.22Å; E442-R444 IonicContact OE1-NE 3.3Å; E442-R444 PolarHBondContact OE1-NE 2.62Å; E442-R444 IonicContact OE1-NH2 2.82Å; E442-R444 PolarHBondContact OE1-NH2 2.78Å; E442-K999 IonicContact OE2-NZ 3.87Å |
| 443 | L | 93.5 | Very high | 86.4 | Confident | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 119.6 | 174.9 | -178.9 | 66.2 | 0 | 0 | 0 | 109.7 | R384 L385 V401 Y407 L409 I454 | R384-L443 CarbonylContact C-O 3.53Å; R384-L443 WeakPolarHBondContact CA-O 3.32Å; L385-L443 HydrophobicContact CB-CB 4.25Å; L385-L443 HydrophobicContact CD1-CD2 4.07Å; L385-L443 PolarHBondContact N-O 3.3Å; L385-L443 PolarHBondContact O-N 2.83Å; V401-L443 HydrophobicContact CG1-CD1 4Å; V401-L443 HydrophobicContact CG1-CD2 4.07Å; V401-L443 HydrophobicContact CG2-CD1 3.97Å; Y407-L443 HydrophobicContact CD2-CD1 4.07Å; Y407-L443 HydrophobicContact CG-CD1 4.28Å; L409-L443 HydrophobicContact CB-CD1 4.26Å; L409-L443 HydrophobicContact CD1-CB 4Å; L409-L443 HydrophobicContact CD1-CD1 4.17Å; L443-I454 HydrophobicContact CD2-CG2 3.45Å; L443-I454 VanDerWaalsContact CD2-CG2 3.45Å |
| 444 | R | 93.2 | Very high | 85.8 | Confident | 27 Ų | 27 | 40.9 Ų | 40.9 | 10% | 0.102 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129.1 | 173.2 | -57 | 175.4 | -178.6 | -165.9 | 0.8 | 108.6 | L348 I351 F353 I383 Y407 A408 L410 E442 | L348-R444 HydrophobicContact CB-CB 4.45Å; L348-R444 HydrophobicContact CD1-CB 4.45Å; L348-R444 HydrophobicContact CD2-CB 4.39Å; L348-R444 WeakPolarHBondContact O-CD 3.07Å; L348-R444 PolarHBondContact O-NH1 3.15Å; I351-R444 PolarHBondContact O-NH1 2.66Å; I351-R444 VanDerWaalsContact O-NH1 3.15Å; F353-R444 HydrophobicContact CE2-CG 4.21Å; I383-R444 CarbonylContact O-C 3.56Å; I383-R444 WeakPolarHBondContact O-CA 3.32Å; Y407-R444 CarbonylContact C-O 3.53Å; Y407-R444 WeakPolarHBondContact CA-O 3.28Å; Y407-R444 VanDerWaalsContact CB-O 3.32Å; Y407-R444 WeakPolarHBondContact CB-O 3.36Å; A408-R444 HydrophobicContact CB-CB 4.48Å; A408-R444 PolarHBondContact N-O 3.08Å; A408-R444 PolarHBondContact O-N 3.17Å; L410-R444 HydrophobicContact CD1-CG 4.05Å; E442-R444 HydrophobicContact CG-CG 4.44Å; E442-R444 IonicContact OE1-CZ 3.22Å; E442-R444 IonicContact OE1-NE 3.3Å; E442-R444 PolarHBondContact OE1-NE 2.62Å; E442-R444 IonicContact OE1-NH2 2.82Å; E442-R444 PolarHBondContact OE1-NH2 2.78Å |
| 445 | S | 91.6 | Very high | 85.3 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 140.6 | -178.6 | -175.9 | 0 | 0 | 0 | 0 | 112.3 | I383 N405 T406 | I383-S445 PolarHBondContact N-O 2.77Å; I383-S445 PolarHBondContact O-N 2.96Å; N405-S445 WeakPolarHBondContact CB-OG 3.27Å; T406-S445 WeakPolarHBondContact O-CA 3.4Å |
| 446 | I | 90.6 | Very high | 85.2 | Confident | 26 Ų | 26 | 36.4 Ų | 36.4 | 13% | 0.133 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 113 | 172.1 | -61.1 | 162.8 | 0 | 0 | 0 | 108 | A342 L348 N405 T406 S448 | A342-I446 HydrophobicContact CB-CD1 3.81Å; A342-I446 HydrophobicContact CB-CG1 3.96Å; A342-I446 VanDerWaalsContact O-CD1 3.29Å; A342-I446 WeakPolarHBondContact O-CD1 3.45Å; L348-I446 HydrophobicContact CD1-CD1 4.23Å; L348-I446 HydrophobicContact CD1-CG1 4.03Å; L348-I446 HydrophobicContact CD2-CD1 4.45Å; L348-I446 HydrophobicContact CD2-CG1 3.81Å; L348-I446 HydrophobicContact CG-CD1 4.17Å; L348-I446 HydrophobicContact CG-CG1 4.02Å; N405-I446 VanDerWaalsContact CB-O 3.23Å; N405-I446 WeakPolarHBondContact CB-O 3.35Å; N405-I446 VanDerWaalsContact CG-O 3.25Å; T406-I446 HydrophobicContact CG2-CD1 4.02Å; T406-I446 PolarHBondContact O-N 2.89Å; I446-S448 PolarHBondContact O-N 2.9Å |
| 447 | I | 85.5 | Confident | 85.2 | Confident | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 102.4 | 173.5 | -54.7 | -56.1 | 0 | 0 | 0 | 108.3 | F336 G379 T380 G381 I383 N405 I454 | F336-I447 HydrophobicContact CE2-CB 4.48Å; F336-I447 HydrophobicContact CE2-CG1 4.22Å; G379-I447 WeakPolarHBondContact O-CG2 3.32Å; T380-I447 WeakPolarHBondContact CA-O 3.48Å; T380-I447 VanDerWaalsContact CB-O 3.3Å; T380-I447 WeakPolarHBondContact CB-O 3.29Å; G381-I447 PolarHBondContact N-O 3.33Å; G381-I447 VanDerWaalsContact N-O 3.14Å; G381-I447 PolarHBondContact O-N 3.12Å; I383-I447 HydrophobicContact CB-CD1 4.37Å; I383-I447 HydrophobicContact CB-CG1 4.15Å; I383-I447 HydrophobicContact CG2-CD1 3.65Å; I383-I447 HydrophobicContact CG2-CG1 3.92Å; N405-I447 WeakPolarHBondContact ND2-CD1 3.5Å; I447-I454 HydrophobicContact CD1-CD1 3.37Å |
| 448 | S | 78 | Confident | 85.4 | Confident | 72.5 Ų | 72.5 | 31.4 Ų | 31.4 | 51% | 0.507 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -93.3 | -30.2 | 170.8 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | T380 I446 | T380-S448 WeakPolarHBondContact CG2-O 3.18Å; I446-S448 PolarHBondContact O-N 2.9Å |
| 449 | Q | 72.3 | Confident | 85.5 | Confident | 120.5 Ų | 120.5 | 30.7 Ų | 30.7 | 56% | 0.563 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -127.4 | 120.8 | 177.6 | -65.6 | -176 | -4.1 | 0 | 0 | 109.8 | T451 S452 | Q449-T451 PolarHBondContact O-N 3.15Å; Q449-S452 WeakPolarHBondContact O-CB 3.28Å; Q449-S452 PolarHBondContact O-N 3.36Å; Q449-S452 VanDerWaalsContact O-N 3.14Å; Q449-S452 PolarHBondContact O-OG 3.16Å |
| 450 | P | 65.3 | Low | 85.4 | Confident | 65.5 Ų | 65.5 | 30.4 Ų | 30.4 | 43% | 0.425 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -6.3 | -177.2 | 24.6 | -32 | 0 | 0 | 0 | 114 | F377 | F377-P450 HydrophobicContact CD2-CB 4.39Å; F377-P450 VanDerWaalsContact CE2-O 3.24Å; F377-P450 WeakPolarHBondContact CE2-O 3.45Å |
| 451 | T | 64.5 | Low | 85.3 | Confident | 109.5 Ų | 109.5 | 31.4 Ų | 31.4 | 67% | 0.672 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -2.2 | 177 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | Q449 V453 | Q449-T451 PolarHBondContact O-N 3.15Å; T451-V453 PolarHBondContact O-N 2.79Å |
| 452 | S | 66.5 | Low | 85.1 | Confident | 18.5 Ų | 18.5 | 34.8 Ų | 34.8 | 13% | 0.129 | 19% | 0.193 | C | C | . | . | trans | -69.4 | 124.4 | -178 | 58.2 | 0 | 0 | 0 | 0 | 111.6 | N405 Q449 | N405-S452 WeakPolarHBondContact ND2-CB 3.27Å; N405-S452 PolarHBondContact ND2-OG 2.98Å; N405-S452 PolarHBondContact OD1-OG 2.96Å; Q449-S452 WeakPolarHBondContact O-CB 3.28Å; Q449-S452 PolarHBondContact O-N 3.36Å; Q449-S452 VanDerWaalsContact O-N 3.14Å; Q449-S452 PolarHBondContact O-OG 3.16Å | ||
| 453 | V | 74.5 | Confident | 85 | Confident | 75.5 Ų | 75.5 | 35 Ų | 35 | 46% | 0.458 | 19% | 0.194 | S | C | . | . | trans | -73.4 | 130.4 | 171.9 | 177.3 | 0 | 0 | 0 | 0 | 108.8 | T402 S403 T451 R455 | T402-V453 VanDerWaalsContact O-O 3.12Å; S403-V453 WeakPolarHBondContact CA-O 3.45Å; T451-V453 PolarHBondContact O-N 2.79Å; V453-R455 HydrophobicContact CG1-CG 3.82Å | ||
| 454 | I | 81.7 | Confident | 84.9 | Confident | 15 Ų | 15 | 38.2 Ų | 38.2 | 8% | 0.077 | 22% | 0.217 | C | C | . | . | trans | -118.3 | 117.5 | 171.2 | -60.4 | 174.1 | 0 | 0 | 0 | 107.1 | I383 L385 T402 L443 I447 | I383-I454 HydrophobicContact CG2-CD1 3.8Å; L385-I454 HydrophobicContact CD1-CG2 4.03Å; T402-I454 WeakPolarHBondContact O-CA 3.46Å; L443-I454 HydrophobicContact CD2-CG2 3.45Å; L443-I454 VanDerWaalsContact CD2-CG2 3.45Å; I447-I454 HydrophobicContact CD1-CD1 3.37Å | ||
| 455 | R | 85.4 | Confident | 84.8 | Confident | 83.5 Ų | 83.5 | 37.6 Ų | 37.6 | 32% | 0.315 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 135.6 | 173.5 | -65.8 | 170.7 | 178.5 | 142.4 | -3.6 | 110.3 | E370 V401 T402 V453 P990 | E370-R455 IonicContact OE1-CZ 2.76Å; E370-R455 IonicContact OE1-NE 3.19Å; E370-R455 IonicContact OE1-NH2 2.75Å; E370-R455 PolarHBondContact OE1-NH2 2.78Å; V401-R455 WeakPolarHBondContact CA-O 3.42Å; T402-R455 PolarHBondContact N-O 3.24Å; T402-R455 PolarHBondContact O-N 2.99Å; T402-R455 WeakPolarHBondContact OG1-CB 3.4Å; V453-R455 HydrophobicContact CG1-CG 3.82Å; R455-P990 HydrophobicContact CB-CB 4.45Å |
| 456 | L | 90.8 | Very high | 84.7 | Confident | 8.5 Ų | 8.5 | 38.6 Ų | 38.6 | 5% | 0.045 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.7 | 165.3 | -171.1 | 63.1 | 0 | 0 | 0 | 108.2 | M387 V401 L409 L441 P990 I991 | M387-L456 HydrophobicContact CE-CB 4.07Å; M387-L456 HydrophobicContact CE-CD2 3.47Å; M387-L456 VanDerWaalsContact CE-CD2 3.47Å; M387-L456 HydrophobicContact CE-CG 4.31Å; M387-L456 HydrophobicContact CG-CD2 4.49Å; M387-L456 HydrophobicContact SD-CD2 3.96Å; V401-L456 HydrophobicContact CG2-CD1 3.87Å; L409-L456 HydrophobicContact CD1-CD1 3.9Å; L409-L456 HydrophobicContact CD1-CD2 4.39Å; L409-L456 HydrophobicContact CD2-CD1 4.04Å; L441-L456 HydrophobicContact CB-CD2 4.19Å; L441-L456 HydrophobicContact CD1-CD2 3.85Å; L441-L456 HydrophobicContact CG-CD2 4.47Å; L456-P990 CarbonylContact O-C 3.53Å; L456-P990 WeakPolarHBondContact O-CA 3.49Å; L456-I991 HydrophobicContact CD2-CD1 4.26Å; L456-I991 HydrophobicContact CG-CD1 4.07Å; L456-I991 PolarHBondContact O-N 3.08Å |
| 457 | C | 92.7 | Very high | 84.6 | Confident | 1.5 Ų | 1.5 | 39.8 Ų | 39.8 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 156.7 | 179.8 | -37.3 | 0 | 0 | 0 | 0 | 109 | F399 I400 M988 C989 | F399-C457 CarbonylContact C-O 3.59Å; F399-C457 WeakPolarHBondContact CA-O 3.38Å; I400-C457 HydrophobicContact CB-CB 4.11Å; I400-C457 PolarHBondContact N-O 3.03Å; I400-C457 PolarHBondContact O-N 3.23Å; C457-M988 CarbonylContact C-O 3.56Å; C457-M988 WeakPolarHBondContact CA-O 3.28Å; C457-M988 VanDerWaalsContact CB-O 3.25Å; C457-M988 WeakPolarHBondContact CB-O 3.38Å; C457-C989 HydrophobicContact CB-CB 3.45Å; C457-C989 VanDerWaalsContact CB-CB 3.4Å; C457-C989 WeakPolarHBondContact CB-SG 3.36Å; C457-C989 WeakPolarHBondContact SG-CA 3.45Å; C457-C989 WeakPolarHBondContact SG-CB 3.28Å; C457-C989 CovalentContact SG-SG 2.04Å; C457-C989 PolarHBondContact SG-SG 2.84Å |
| 458 | A | 94.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 139.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | F389 Q398 F399 M988 I991 | F389-A458 HydrophobicContact CE2-CB 4.16Å; F389-A458 HydrophobicContact CZ-CB 4.13Å; Q398-A458 CarbonylContact O-C 3.58Å; Q398-A458 WeakPolarHBondContact O-CA 3.48Å; F399-A458 HydrophobicContact CD1-CB 4.11Å; F399-A458 HydrophobicContact CE1-CB 4.18Å; A458-M988 HydrophobicContact CB-CE 3.85Å; A458-M988 PolarHBondContact N-O 3.29Å; A458-M988 WeakPolarHBondContact O-CB 3.4Å; A458-M988 PolarHBondContact O-N 2.89Å; A458-I991 HydrophobicContact CB-CD1 4.01Å; A458-I991 HydrophobicContact CB-CG1 3.85Å |
| 459 | S | 94.8 | Very high | 84.8 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 148.7 | 168.2 | 76.5 | 0 | 0 | 0 | 0 | 111.5 | Y397 Q398 E985 L986 | Y397-S459 CarbonylContact C-O 3.59Å; Y397-S459 WeakPolarHBondContact CA-O 3.36Å; Y397-S459 WeakPolarHBondContact CD1-O 3.32Å; Q398-S459 PolarHBondContact N-O 2.87Å; Q398-S459 PolarHBondContact O-N 3.24Å; S459-E985 WeakPolarHBondContact CB-OE2 3.44Å; S459-E985 PolarHBondContact OG-OE2 3Å; S459-L986 CarbonylContact C-O 3.52Å; S459-L986 WeakPolarHBondContact CA-O 3.21Å; S459-L986 WeakPolarHBondContact CB-O 3.45Å |
| 460 | L | 94.7 | Very high | 85.5 | Confident | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 142.2 | 174.4 | 66.3 | 160.3 | 0 | 0 | 0 | 111.5 | Y397 N462 E985 L986 M988 | Y397-L460 HydrophobicContact CD1-CB 3.94Å; Y397-L460 HydrophobicContact CE1-CB 3.63Å; Y397-L460 HydrophobicContact CE1-CD1 4.4Å; Y397-L460 HydrophobicContact CE1-CG 4.42Å; L460-N462 WeakPolarHBondContact CD1-O 3.49Å; L460-E985 CarbonylContact O-C 3.56Å; L460-E985 WeakPolarHBondContact O-CA 3.31Å; L460-E985 WeakPolarHBondContact O-CB 3.18Å; L460-L986 HydrophobicContact CD2-CB 3.77Å; L460-L986 HydrophobicContact CD2-CD2 3.95Å; L460-L986 HydrophobicContact CD2-CG 3.97Å; L460-L986 HydrophobicContact CG-CB 4.26Å; L460-L986 PolarHBondContact N-O 3.17Å; L460-L986 PolarHBondContact O-N 3.32Å; L460-M988 HydrophobicContact CD2-CE 3.8Å; L460-M988 HydrophobicContact CD2-CG 4.41Å; L460-M988 HydrophobicContact CD2-SD 3.97Å |
| 461 | S | 91.6 | Very high | 86.5 | Confident | 23 Ų | 23 | 39.9 Ų | 39.9 | 16% | 0.161 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -82.2 | -30.6 | -179.3 | 59.9 | 0 | 0 | 0 | 0 | 113.7 | S395 Y396 T463 G956 D957 | S395-S461 PolarHBondContact OG-N 2.86Å; S395-S461 PolarHBondContact OG-OG 2.97Å; Y396-S461 PolarHBondContact O-N 2.9Å; S461-T463 PolarHBondContact O-N 3.03Å; S461-G956 CarbonylContact O-C 3.43Å; S461-G956 VanDerWaalsContact O-CA 3.23Å; S461-G956 WeakPolarHBondContact O-CA 3.21Å; S461-D957 PolarHBondContact O-N 3.34Å |
| 462 | N | 91.7 | Very high | 87.6 | Confident | 73.5 Ų | 73.5 | 37 Ų | 37 | 39% | 0.393 | 19% | 0.192 | S | C | . | . | trans | -97 | 86.1 | -177.8 | -177.5 | 2 | 0 | 0 | 0 | 110.7 | K393 N394 S395 L460 | K393-N462 PolarHBondContact NZ-OD1 3.01Å; N394-N462 PolarHBondContact O-ND2 3.36Å; S395-N462 VanDerWaalsContact OG-CB 3.3Å; S395-N462 WeakPolarHBondContact OG-CB 3.35Å; S395-N462 PolarHBondContact OG-N 2.88Å; L460-N462 WeakPolarHBondContact CD1-O 3.49Å | ||
| 463 | T | 92 | Very high | 88.8 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | trans | -120.9 | 154.5 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | E251 S461 L465 P955 L986 | E251-T463 WeakPolarHBondContact OE1-CA 3.15Å; E251-T463 VanDerWaalsContact OE1-CB 3.24Å; E251-T463 WeakPolarHBondContact OE1-CB 3.31Å; E251-T463 PolarHBondContact OE1-OG1 3.24Å; S461-T463 PolarHBondContact O-N 3.03Å; T463-L465 WeakPolarHBondContact CG2-O 3.27Å; T463-L465 PolarHBondContact OG1-N 3.17Å; T463-P955 WeakPolarHBondContact O-CB 3.39Å; T463-L986 HydrophobicContact CG2-CB 3.89Å | ||
| 464 | S | 90.5 | Very high | 89.7 | Confident | 70.5 Ų | 70.5 | 37.2 Ų | 37.2 | 49% | 0.493 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -90.2 | -11.4 | 168.8 | 63.6 | 0 | 0 | 0 | 0 | 113.5 | E251 P955 | E251-S464 VanDerWaalsContact OE2-CB 3.23Å; E251-S464 WeakPolarHBondContact OE2-CB 2.91Å; E251-S464 PolarHBondContact OE2-N 3.27Å; E251-S464 PolarHBondContact OE2-OG 3.33Å; S464-P955 VanDerWaalsContact C-CB 3.45Å; S464-P955 VanDerWaalsContact O-CB 3.31Å; S464-P955 WeakPolarHBondContact O-CB 3.37Å |
| 465 | L | 90.4 | Very high | 90.3 | Very high | 14.5 Ų | 14.5 | 37.1 Ų | 37.1 | 8% | 0.076 | 19% | 0.185 | C | C | . | . | trans | -87.7 | 137.4 | 178.7 | -64.6 | 177.5 | 0 | 0 | 0 | 111.6 | V247 E251 T253 T463 L470 S473 P955 L986 | V247-L465 HydrophobicContact CG1-CD1 3.92Å; V247-L465 HydrophobicContact CG2-CD1 3.92Å; E251-L465 HydrophobicContact CB-CD1 4.44Å; E251-L465 HydrophobicContact CB-CG 4.37Å; E251-L465 WeakPolarHBondContact O-CD1 3.21Å; E251-L465 WeakPolarHBondContact O-CD2 3.39Å; T253-L465 HydrophobicContact CG2-CD1 4.46Å; T463-L465 WeakPolarHBondContact CG2-O 3.27Å; T463-L465 PolarHBondContact OG1-N 3.17Å; L465-L470 HydrophobicContact CD1-CD2 4.26Å; L465-S473 WeakPolarHBondContact O-CB 3.38Å; L465-S473 PolarHBondContact O-OG 3.07Å; L465-P955 VanDerWaalsContact C-CB 3.49Å; L465-P955 WeakPolarHBondContact O-CA 3.25Å; L465-P955 VanDerWaalsContact O-CB 3.29Å; L465-P955 WeakPolarHBondContact O-CB 3.15Å; L465-L986 HydrophobicContact CD1-CD1 4.49Å; L465-L986 HydrophobicContact CD1-CD2 4.25Å | ||
| 466 | N | 90.1 | Very high | 90.8 | Very high | 20.5 Ų | 20.5 | 33.1 Ų | 33.1 | 11% | 0.11 | 17% | 0.17 | C | C | . | . | trans | -109.3 | 173.6 | 175.3 | 70.3 | 35.9 | 0 | 0 | 0 | 112.8 | Q468 Q469 L470 S953 P955 | N466-Q468 VanDerWaalsContact C-N 3.29Å; N466-Q468 PolarHBondContact O-N 3.12Å; N466-Q468 WeakPolarHBondContact OD1-CB 3.29Å; N466-Q468 PolarHBondContact OD1-N 3.06Å; N466-Q468 VanDerWaalsContact OD1-N 3.08Å; N466-Q469 PolarHBondContact O-N 3.29Å; N466-Q469 VanDerWaalsContact OD1-CG 3.3Å; N466-Q469 WeakPolarHBondContact OD1-CG 3.37Å; N466-Q469 PolarHBondContact OD1-N 2.87Å; N466-Q469 PolarHBondContact OD1-OE1 3.32Å; N466-L470 PolarHBondContact O-N 3.29Å; N466-S953 WeakPolarHBondContact CB-O 3.33Å; N466-S953 PolarHBondContact ND2-O 3.09Å; N466-P955 HydrophobicContact CB-CB 4.21Å | ||
| 467 | Y | 89.5 | Confident | 91 | Very high | 50.5 Ų | 50.5 | 33 Ų | 33 | 20% | 0.198 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -25.2 | -176.7 | 179.7 | -104 | 0 | 0 | 0 | 114.1 | K471 S473 P475 E952 | Y467-K471 HydrophobicContact CD1-CD 4.08Å; Y467-K471 HydrophobicContact CD2-CB 4.22Å; Y467-K471 HydrophobicContact CD2-CD 3.78Å; Y467-K471 HydrophobicContact CD2-CG 4.49Å; Y467-K471 HydrophobicContact CE1-CD 3.63Å; Y467-K471 VanDerWaalsContact CE1-CD 3.46Å; Y467-K471 VanDerWaalsContact CE1-NZ 3.25Å; Y467-K471 HydrophobicContact CE2-CB 4.05Å; Y467-K471 HydrophobicContact CE2-CD 3.29Å; Y467-K471 HydrophobicContact CE2-CG 4.22Å; Y467-K471 HydrophobicContact CG-CD 4.17Å; Y467-K471 WeakPolarHBondContact O-CD 3.41Å; Y467-K471 PolarHBondContact O-NZ 2.93Å; Y467-K471 VanDerWaalsContact O-NZ 3.11Å; Y467-K471 WeakPolarHBondContact OH-CD 3.48Å; Y467-S473 VanDerWaalsContact CA-O 3.28Å; Y467-S473 WeakPolarHBondContact CA-O 3.29Å; Y467-S473 WeakPolarHBondContact CB-O 3.23Å; Y467-S473 WeakPolarHBondContact CD2-O 3.45Å; Y467-P475 HydrophobicContact CD2-CG 4.33Å; Y467-P475 HydrophobicContact CG-CG 4.12Å; Y467-E952 WeakPolarHBondContact CB-O 3.45Å; Y467-E952 HydrophobicContact CD1-CB 4.15Å; Y467-E952 HydrophobicContact CD1-CG 3.97Å; Y467-E952 HydrophobicContact CE1-CG 4.44Å; Y467-E952 WeakPolarHBondContact CE1-OE1 3.14Å; Y467-E952 PolarHBondContact N-O 3.08Å |
| 468 | Q | 83.4 | Confident | 91.1 | Very high | 77 Ų | 77 | 33 Ų | 33 | 36% | 0.36 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -34.4 | 175.7 | -68.2 | 176.2 | -28.1 | 0 | 0 | 111.4 | N466 T933 E952 | N466-Q468 VanDerWaalsContact C-N 3.29Å; N466-Q468 PolarHBondContact O-N 3.12Å; N466-Q468 WeakPolarHBondContact OD1-CB 3.29Å; N466-Q468 PolarHBondContact OD1-N 3.06Å; N466-Q468 VanDerWaalsContact OD1-N 3.08Å; Q468-T933 VanDerWaalsContact NE2-CB 3.27Å; Q468-T933 PolarHBondContact NE2-OG1 3.25Å; Q468-E952 HydrophobicContact CG-CB 4.26Å |
| 469 | Q | 84.7 | Confident | 91.1 | Very high | 113 Ų | 113 | 34.2 Ų | 34.2 | 53% | 0.528 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -42.4 | 174.7 | -68.2 | 167.9 | -44.5 | 0 | 0 | 112 | N466 | N466-Q469 PolarHBondContact O-N 3.29Å; N466-Q469 VanDerWaalsContact OD1-CG 3.3Å; N466-Q469 WeakPolarHBondContact OD1-CG 3.37Å; N466-Q469 PolarHBondContact OD1-N 2.87Å; N466-Q469 PolarHBondContact OD1-OE1 3.32Å |
| 470 | L | 86.8 | Confident | 90.9 | Very high | 4.5 Ų | 4.5 | 34.3 Ų | 34.3 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | trans | -153.3 | 120.3 | -178.6 | -173.5 | 69.4 | 0 | 0 | 0 | 111.6 | E242 Y245 V247 T253 L465 N466 T472 S473 L986 | E242-L470 HydrophobicContact CG-CD1 4.31Å; Y245-L470 HydrophobicContact CD2-CD1 4.35Å; Y245-L470 HydrophobicContact CG-CD1 4.31Å; V247-L470 HydrophobicContact CG2-CD2 3.32Å; T253-L470 HydrophobicContact CG2-CB 4.43Å; T253-L470 HydrophobicContact CG2-CD1 4.23Å; T253-L470 HydrophobicContact CG2-CD2 4Å; T253-L470 HydrophobicContact CG2-CG 4.46Å; L465-L470 HydrophobicContact CD1-CD2 4.26Å; N466-L470 PolarHBondContact O-N 3.29Å; L470-T472 WeakPolarHBondContact CD2-OG1 3.48Å; L470-T472 VanDerWaalsContact CG-OG1 3.28Å; L470-T472 WeakPolarHBondContact CG-OG1 3.25Å; L470-T472 PolarHBondContact O-N 3.06Å; L470-T472 VanDerWaalsContact O-N 3.1Å; L470-S473 WeakPolarHBondContact O-CA 3.21Å; L470-S473 VanDerWaalsContact O-CB 3.25Å; L470-S473 WeakPolarHBondContact O-CB 3.41Å; L470-S473 PolarHBondContact O-N 3.17Å; L470-L986 HydrophobicContact CD2-CD1 4.16Å | ||
| 471 | K | 86.2 | Confident | 90.8 | Very high | 68.5 Ų | 68.5 | 34.6 Ų | 34.6 | 30% | 0.298 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16.8 | -177.5 | -60.3 | -64 | 169.8 | -150.8 | 0 | 114.9 | E242 Y467 S473 K474 | E242-K471 HydrophobicContact CG-CB 4.36Å; E242-K471 HydrophobicContact CG-CG 4.48Å; E242-K471 VanDerWaalsContact OE1-CB 3.27Å; E242-K471 WeakPolarHBondContact OE1-CB 3.42Å; E242-K471 WeakPolarHBondContact OE1-CG 3.26Å; E242-K471 PolarHBondContact OE1-N 3.28Å; E242-K471 WeakPolarHBondContact OE2-CB 3.12Å; E242-K471 WeakPolarHBondContact OE2-CG 3.47Å; Y467-K471 HydrophobicContact CD1-CD 4.08Å; Y467-K471 HydrophobicContact CD2-CB 4.22Å; Y467-K471 HydrophobicContact CD2-CD 3.78Å; Y467-K471 HydrophobicContact CD2-CG 4.49Å; Y467-K471 HydrophobicContact CE1-CD 3.63Å; Y467-K471 VanDerWaalsContact CE1-CD 3.46Å; Y467-K471 VanDerWaalsContact CE1-NZ 3.25Å; Y467-K471 HydrophobicContact CE2-CB 4.05Å; Y467-K471 HydrophobicContact CE2-CD 3.29Å; Y467-K471 HydrophobicContact CE2-CG 4.22Å; Y467-K471 HydrophobicContact CG-CD 4.17Å; Y467-K471 WeakPolarHBondContact O-CD 3.41Å; Y467-K471 PolarHBondContact O-NZ 2.93Å; Y467-K471 VanDerWaalsContact O-NZ 3.11Å; Y467-K471 WeakPolarHBondContact OH-CD 3.48Å; K471-S473 VanDerWaalsContact C-N 3.33Å; K471-K474 PolarHBondContact O-NZ 2.81Å |
| 472 | T | 86.9 | Confident | 90.7 | Very high | 48 Ų | 48 | 33.5 Ų | 33.5 | 29% | 0.294 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -18.3 | 171 | 64.4 | 0 | 0 | 0 | 0 | 112.3 | L470 K474 V987 | L470-T472 WeakPolarHBondContact CD2-OG1 3.48Å; L470-T472 VanDerWaalsContact CG-OG1 3.28Å; L470-T472 WeakPolarHBondContact CG-OG1 3.25Å; L470-T472 PolarHBondContact O-N 3.06Å; L470-T472 VanDerWaalsContact O-N 3.1Å; T472-K474 PolarHBondContact O-N 3.33Å; T472-V987 WeakPolarHBondContact CB-O 3.14Å; T472-V987 PolarHBondContact O-N 3.1Å |
| 473 | S | 92.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 98.4 | 161.7 | -171.8 | 0 | 0 | 0 | 0 | 108.7 | L465 Y467 L470 K471 E985 | L465-S473 WeakPolarHBondContact O-CB 3.38Å; L465-S473 PolarHBondContact O-OG 3.07Å; Y467-S473 VanDerWaalsContact CA-O 3.28Å; Y467-S473 WeakPolarHBondContact CA-O 3.29Å; Y467-S473 WeakPolarHBondContact CB-O 3.23Å; Y467-S473 WeakPolarHBondContact CD2-O 3.45Å; L470-S473 WeakPolarHBondContact O-CA 3.21Å; L470-S473 VanDerWaalsContact O-CB 3.25Å; L470-S473 WeakPolarHBondContact O-CB 3.41Å; L470-S473 PolarHBondContact O-N 3.17Å; K471-S473 VanDerWaalsContact C-N 3.33Å; S473-E985 CarbonylContact C-O 3.47Å; S473-E985 WeakPolarHBondContact CA-O 3.37Å |
| 474 | K | 93.2 | Very high | 90.6 | Very high | 99 Ų | 99 | 35.1 Ų | 35.1 | 43% | 0.43 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 132.7 | -179.7 | -60.9 | -108.9 | -179.5 | -170.8 | 0 | 109.1 | K471 T472 G984 E985 V987 | K471-K474 PolarHBondContact O-NZ 2.81Å; T472-K474 PolarHBondContact O-N 3.33Å; K474-G984 CarbonylContact O-C 3.55Å; K474-G984 VanDerWaalsContact O-CA 3.22Å; K474-G984 WeakPolarHBondContact O-CA 3.44Å; K474-E985 HydrophobicContact CB-CG 4.22Å; K474-E985 PolarHBondContact N-O 2.83Å; K474-E985 PolarHBondContact O-N 3.13Å; K474-V987 HydrophobicContact CG-CG2 4.49Å |
| 475 | P | 94.4 | Very high | 90.5 | Very high | 11.5 Ų | 11.5 | 35.4 Ų | 35.4 | 8% | 0.075 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -77.3 | 152 | 179.1 | 31.3 | -31.9 | 0 | 0 | 0 | 110.6 | Y467 S477 W950 L951 | Y467-P475 HydrophobicContact CD2-CG 4.33Å; Y467-P475 HydrophobicContact CG-CG 4.12Å; P475-S477 PolarHBondContact O-N 3.2Å; P475-W950 HydrophobicContact CB-CB 4.43Å; P475-W950 HydrophobicContact CG-CB 4.02Å; P475-W950 HydrophobicContact CG-CG 4.39Å; P475-L951 VanDerWaalsContact CB-O 3.26Å; P475-L951 WeakPolarHBondContact CB-O 3.24Å |
| 476 | T | 95.5 | Very high | 90.3 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 134.6 | 168.5 | -57.9 | 0 | 0 | 0 | 0 | 109.2 | Y478 L951 G956 Q958 K980 A982 G984 | T476-Y478 HydrophobicContact CG2-CD2 4.48Å; T476-Y478 HydrophobicContact CG2-CE1 4.38Å; T476-Y478 HydrophobicContact CG2-CE2 3.63Å; T476-Y478 WeakPolarHBondContact CG2-OH 3.49Å; T476-L951 PolarHBondContact O-N 3.22Å; T476-G956 PolarHBondContact OG1-O 3Å; T476-Q958 HydrophobicContact CG2-CB 3.96Å; T476-Q958 PolarHBondContact OG1-N 2.86Å; T476-K980 HydrophobicContact CG2-CD 4.3Å; T476-K980 HydrophobicContact CG2-CG 4.17Å; T476-A982 WeakPolarHBondContact CG2-O 3.23Å; T476-G984 WeakPolarHBondContact OG1-CA 3.3Å; T476-G984 PolarHBondContact OG1-N 3.06Å |
| 477 | S | 95 | Very high | 90.2 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 151.7 | 178.7 | 77.7 | 0 | 0 | 0 | 0 | 113 | P475 F949 K980 S981 A982 | P475-S477 PolarHBondContact O-N 3.2Å; S477-F949 CarbonylContact C-O 3.52Å; S477-F949 WeakPolarHBondContact CA-O 3.19Å; S477-F949 WeakPolarHBondContact CB-O 3.26Å; S477-K980 CarbonylContact O-C 3.57Å; S477-S981 WeakPolarHBondContact CB-OG 3.41Å; S477-S981 PolarHBondContact O-N 3.31Å; S477-S981 PolarHBondContact O-OG 2.78Å; S477-S981 VanDerWaalsContact O-OG 3.11Å; S477-S981 WeakPolarHBondContact OG-CB 3.27Å; S477-S981 PolarHBondContact OG-OG 2.97Å; S477-A982 PolarHBondContact N-O 2.88Å; S477-A982 PolarHBondContact O-N 2.87Å; S477-A982 VanDerWaalsContact OG-CB 3.3Å; S477-A982 WeakPolarHBondContact OG-CB 3.18Å; S477-A982 PolarHBondContact OG-N 3.04Å |
| 478 | Y | 95.1 | Very high | 90.2 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 148.2 | -177 | -59.9 | -87.3 | 0 | 0 | 0 | 110.6 | T476 N948 F949 L951 Q958 P959 I961 I978 Q979 K980 S981 | T476-Y478 HydrophobicContact CG2-CD2 4.48Å; T476-Y478 HydrophobicContact CG2-CE1 4.38Å; T476-Y478 HydrophobicContact CG2-CE2 3.63Å; T476-Y478 WeakPolarHBondContact CG2-OH 3.49Å; Y478-N948 CarbonylContact O-C 3.58Å; Y478-N948 VanDerWaalsContact O-CA 3.3Å; Y478-N948 WeakPolarHBondContact O-CA 3.3Å; Y478-N948 PolarHBondContact O-OD1 3.47Å; Y478-N948 VanDerWaalsContact O-OD1 3.06Å; Y478-F949 VanDerWaalsContact CB-CZ 3.47Å; Y478-F949 AromaticContact CD2-CD2 3.88Å; Y478-F949 HydrophobicContact CD2-CD2 4.02Å; Y478-F949 AromaticContact CD2-CE2 3.34Å; Y478-F949 HydrophobicContact CD2-CE2 3.34Å; Y478-F949 VanDerWaalsContact CD2-CE2 3.47Å; Y478-F949 AromaticContact CD2-CZ 3.68Å; Y478-F949 HydrophobicContact CD2-CZ 3.68Å; Y478-F949 HydrophobicContact CE2-CE2 4.22Å; Y478-F949 HydrophobicContact CG-CD2 4.48Å; Y478-F949 HydrophobicContact CG-CE1 4.29Å; Y478-F949 AromaticContact CG-CE2 3.68Å; Y478-F949 HydrophobicContact CG-CE2 3.86Å; Y478-F949 AromaticContact CG-CZ 3.67Å; Y478-F949 HydrophobicContact CG-CZ 3.67Å; Y478-F949 PolarHBondContact N-O 2.97Å; Y478-F949 PolarHBondContact O-N 3.13Å; Y478-L951 HydrophobicContact CE2-CD1 3.75Å; Y478-L951 HydrophobicContact CE2-CG 4.2Å; Y478-Q958 WeakPolarHBondContact OH-CB 3.03Å; Y478-Q958 PolarHBondContact OH-O 3.13Å; Y478-P959 PolarHBondContact OH-O 3.02Å; Y478-I961 HydrophobicContact CD1-CD1 4.26Å; Y478-I961 HydrophobicContact CD2-CD1 3.75Å; Y478-I961 HydrophobicContact CE1-CD1 4.24Å; Y478-I961 HydrophobicContact CE1-CG1 4.27Å; Y478-I961 HydrophobicContact CE2-CD1 3.7Å; Y478-I961 HydrophobicContact CE2-CG1 4.42Å; Y478-I961 HydrophobicContact CG-CD1 4.03Å; Y478-I978 HydrophobicContact CD1-CG2 4.49Å; Y478-Q979 CarbonylContact C-O 3.55Å; Y478-Q979 VanDerWaalsContact CA-O 3.29Å; Y478-Q979 WeakPolarHBondContact CA-O 3.23Å; Y478-K980 HydrophobicContact CD1-CB 4.06Å; Y478-K980 HydrophobicContact CD1-CG 4.29Å; Y478-K980 HydrophobicContact CE1-CB 3.95Å; Y478-K980 HydrophobicContact CE1-CD 4.28Å; Y478-K980 HydrophobicContact CE1-CG 3.89Å; Y478-S981 PolarHBondContact N-OG 2.7Å |
| 479 | L | 93.9 | Very high | 90.7 | Very high | 25 Ų | 25 | 37.3 Ų | 37.3 | 13% | 0.131 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 111.1 | 172.7 | 177.8 | 65.3 | 0 | 0 | 0 | 108.5 | Q946 Y947 N948 I978 Q979 S981 | L479-Q946 HydrophobicContact CD1-CB 3.78Å; L479-Q946 HydrophobicContact CD1-CG 4.06Å; L479-Q946 HydrophobicContact CG-CB 4.5Å; L479-Y947 WeakPolarHBondContact CA-O 3.24Å; L479-N948 WeakPolarHBondContact CB-OD1 3.32Å; L479-N948 HydrophobicContact CD1-CB 3.96Å; L479-N948 WeakPolarHBondContact CD1-OD1 3.33Å; L479-I978 WeakPolarHBondContact O-CA 3.43Å; L479-Q979 HydrophobicContact CB-CG 3.91Å; L479-Q979 HydrophobicContact CD2-CG 4.28Å; L479-Q979 VanDerWaalsContact CD2-NE2 3.26Å; L479-Q979 HydrophobicContact CG-CG 4.16Å; L479-Q979 PolarHBondContact N-O 3.25Å; L479-Q979 PolarHBondContact O-N 2.88Å; L479-S981 VanDerWaalsContact CB-OG 3.27Å; L479-S981 WeakPolarHBondContact CB-OG 3.48Å; L479-S981 PolarHBondContact N-OG 2.9Å |
| 480 | I | 91.3 | Very high | 91.2 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 125.5 | 165.7 | -65.4 | 157.8 | 0 | 0 | 0 | 107 | I482 L901 Q946 Y947 F949 I976 T977 I978 | I480-I482 HydrophobicContact CG2-CD1 4.38Å; I480-I482 HydrophobicContact CG2-CG1 3.98Å; I480-L901 HydrophobicContact CD1-CD1 3.74Å; I480-L901 HydrophobicContact CD1-CD2 4.32Å; I480-Q946 CarbonylContact O-C 3.32Å; I480-Q946 WeakPolarHBondContact O-CA 3.42Å; I480-Q946 WeakPolarHBondContact O-CB 3.37Å; I480-Y947 HydrophobicContact CB-CD2 4.49Å; I480-Y947 HydrophobicContact CG2-CD2 4.37Å; I480-Y947 PolarHBondContact N-O 3.03Å; I480-Y947 PolarHBondContact O-N 2.75Å; I480-F949 HydrophobicContact CD1-CD1 4.01Å; I480-F949 HydrophobicContact CD1-CE1 3.36Å; I480-F949 HydrophobicContact CD1-CZ 4.24Å; I480-F949 HydrophobicContact CG1-CD1 4.47Å; I480-F949 HydrophobicContact CG1-CE1 3.76Å; I480-I976 HydrophobicContact CG2-CD1 3.96Å; I480-I976 HydrophobicContact CG2-CG1 4.04Å; I480-T977 CarbonylContact C-O 3.53Å; I480-T977 WeakPolarHBondContact CA-O 3.37Å; I480-I978 HydrophobicContact CD1-CD1 4.33Å; I480-I978 HydrophobicContact CG1-CB 4.36Å; I480-I978 HydrophobicContact CG1-CD1 3.91Å; I480-I978 HydrophobicContact CG1-CG1 3.97Å; I480-I978 HydrophobicContact CG1-CG2 4.2Å |
| 481 | S | 91.3 | Very high | 91.6 | Very high | 8.5 Ų | 8.5 | 34.4 Ų | 34.4 | 6% | 0.059 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 127.7 | 172 | -113.1 | 0 | 0 | 0 | 0 | 109.1 | Q946 I976 T977 | S481-Q946 WeakPolarHBondContact OG-CG 3Å; S481-Q946 PolarHBondContact OG-NE2 3.03Å; S481-I976 WeakPolarHBondContact O-CA 3.3Å; S481-T977 PolarHBondContact N-O 3.07Å; S481-T977 PolarHBondContact O-N 2.87Å |
| 482 | I | 90.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 121.8 | 174.1 | -40.1 | -172 | 0 | 0 | 0 | 108.1 | I480 I895 F899 N944 F945 Y947 L969 Q975 I976 | I480-I482 HydrophobicContact CG2-CD1 4.38Å; I480-I482 HydrophobicContact CG2-CG1 3.98Å; I482-I895 HydrophobicContact CB-CD1 4.43Å; I482-I895 HydrophobicContact CG2-CD1 3.93Å; I482-I895 HydrophobicContact CG2-CG2 4.03Å; I482-F899 HydrophobicContact CD1-CD1 4.14Å; I482-F899 HydrophobicContact CD1-CE1 3.61Å; I482-F899 HydrophobicContact CD1-CZ 4.04Å; I482-N944 WeakPolarHBondContact O-CA 3.29Å; I482-F945 HydrophobicContact CB-CD2 4.49Å; I482-F945 HydrophobicContact CB-CE1 4.45Å; I482-F945 HydrophobicContact CB-CE2 4Å; I482-F945 HydrophobicContact CB-CZ 3.95Å; I482-F945 HydrophobicContact CD1-CE2 3.69Å; I482-F945 HydrophobicContact CD1-CZ 3.94Å; I482-F945 HydrophobicContact CG1-CE2 3.97Å; I482-F945 HydrophobicContact CG1-CZ 4.29Å; I482-F945 HydrophobicContact CG2-CZ 4.4Å; I482-F945 PolarHBondContact N-O 2.83Å; I482-F945 PolarHBondContact O-N 3.07Å; I482-Y947 HydrophobicContact CD1-CE2 4.3Å; I482-L969 HydrophobicContact CG2-CD1 4.22Å; I482-Q975 WeakPolarHBondContact CA-O 3.44Å; I482-I976 HydrophobicContact CD1-CD1 4.07Å; I482-I976 HydrophobicContact CD1-CG1 4.48Å; I482-I976 HydrophobicContact CG1-CB 4.48Å; I482-I976 HydrophobicContact CG1-CD1 4.21Å; I482-I976 HydrophobicContact CG1-CG1 4.15Å |
| 483 | K | 90.6 | Very high | 92.5 | Very high | 98 Ų | 98 | 30.5 Ų | 30.5 | 43% | 0.426 | 16% | 0.157 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 144.5 | -175.9 | -0.7 | -178.1 | -178.1 | 176.2 | 0 | 110.6 | R943 N944 P974 Q975 | K483-R943 CarbonylContact C-O 3.55Å; K483-R943 VanDerWaalsContact CA-O 3.29Å; K483-R943 WeakPolarHBondContact CA-O 3.28Å; K483-N944 WeakPolarHBondContact CE-OD1 3.49Å; K483-N944 HydrophobicContact CG-CB 4.4Å; K483-N944 WeakPolarHBondContact CG-OD1 3.4Å; K483-P974 CarbonylContact O-C 3.47Å; K483-P974 VanDerWaalsContact O-CA 3.3Å; K483-P974 WeakPolarHBondContact O-CA 3.45Å; K483-Q975 HydrophobicContact CG-CB 4.15Å; K483-Q975 PolarHBondContact N-O 3.14Å; K483-Q975 PolarHBondContact O-N 2.81Å |
| 484 | S | 90.5 | Very high | 92.7 | Very high | 14.5 Ų | 14.5 | 32.8 Ų | 32.8 | 10% | 0.101 | 17% | 0.169 | C | C | . | . | trans | -130.9 | 158.4 | 172.9 | 176.5 | 0 | 0 | 0 | 0 | 108.1 | R943 D972 | S484-R943 PolarHBondContact N-O 3.1Å; S484-D972 PolarHBondContact OG-N 2.89Å; S484-D972 PolarHBondContact OG-O 3.08Å; S484-D972 VanDerWaalsContact OG-O 3.07Å | ||
| 485 | N | 88.9 | Confident | 92.7 | Very high | 78 Ų | 78 | 28.1 Ų | 28.1 | 42% | 0.417 | 15% | 0.149 | S | C | . | . | trans | -58.1 | 144.2 | 170.8 | -64.8 | -26.1 | 0 | 0 | 0 | 110.2 | S892 D972 | N485-S892 WeakPolarHBondContact O-CB 3.33Å; N485-S892 PolarHBondContact O-OG 3.12Å; N485-D972 HydrophobicContact CB-CB 4.03Å; N485-D972 VanDerWaalsContact CB-O 3.29Å; N485-D972 WeakPolarHBondContact CB-O 3.44Å; N485-D972 VanDerWaalsContact CG-O 3.3Å; N485-D972 PolarHBondContact N-O 2.8Å; N485-D972 PolarHBondContact ND2-O 2.97Å; N485-D972 PolarHBondContact ND2-OD1 2.8Å | ||
| 486 | D | 85.6 | Confident | 92.6 | Very high | 126.5 Ų | 126.5 | 29.7 Ų | 29.7 | 68% | 0.676 | 16% | 0.16 | S | C | * | . | trans | -113.4 | 90.9 | -178.4 | -170.7 | 20.9 | 0 | 0 | 0 | 110.6 | R943 | D486-R943 VanDerWaalsContact OD1-CD 3.31Å; D486-R943 WeakPolarHBondContact OD1-CD 3.49Å; D486-R943 IonicContact OD1-CZ 3.23Å; D486-R943 IonicContact OD1-NE 3.37Å; D486-R943 IonicContact OD1-NH1 3.39Å; D486-R943 PolarHBondContact OD1-NH1 2.91Å | ||
| 487 | N | 88.4 | Confident | 92.4 | Very high | 49 Ų | 49 | 31.3 Ų | 31.3 | 26% | 0.262 | 17% | 0.173 | S | C | . | . | trans | -105.3 | 137.7 | 174.5 | -65.2 | -51.1 | 0 | 0 | 0 | 111.4 | Q889 A891 S892 R943 D972 | N487-Q889 HydrophobicContact CB-CG 4.13Å; N487-Q889 PolarHBondContact OD1-NE2 2.4Å; N487-A891 VanDerWaalsContact O-CA 3.28Å; N487-A891 WeakPolarHBondContact O-CA 3.18Å; N487-S892 VanDerWaalsContact CB-OG 3.31Å; N487-S892 WeakPolarHBondContact CB-OG 3.25Å; N487-S892 PolarHBondContact N-OG 3.07Å; N487-S892 PolarHBondContact O-N 3.03Å; N487-S892 VanDerWaalsContact O-N 3.1Å; N487-R943 VanDerWaalsContact N-NH1 3.15Å; N487-R943 PolarHBondContact O-NH1 3.01Å; N487-R943 PolarHBondContact O-NH2 3.26Å; N487-D972 PolarHBondContact ND2-OD2 3.13Å | ||
| 488 | S | 90.1 | Very high | 92 | Very high | 25 Ų | 25 | 31.2 Ų | 31.2 | 18% | 0.175 | 17% | 0.172 | C | C | . | . | trans | -86.6 | 157.7 | 170.9 | 50 | 0 | 0 | 0 | 0 | 111 | K490 E839 Q889 | S488-K490 PolarHBondContact O-N 3.42Å; S488-E839 WeakPolarHBondContact CB-OE1 3.02Å; S488-E839 WeakPolarHBondContact OG-CG 3.27Å; S488-E839 PolarHBondContact OG-OE1 3.35Å; S488-Q889 WeakPolarHBondContact O-CG 3.39Å; S488-Q889 PolarHBondContact O-OE1 3.12Å | ||
| 489 | E | 92.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 127.5 | 170.9 | 177.2 | 76.9 | -172 | 0 | 0 | 109 | Q491 E839 I840 F849 R887 Q889 S890 A891 | E489-Q491 HydrophobicContact CG-CG 4.28Å; E489-Q491 PolarHBondContact OE1-NE2 2.79Å; E489-E839 CarbonylContact O-C 3.55Å; E489-E839 VanDerWaalsContact O-CA 3.31Å; E489-E839 WeakPolarHBondContact O-CA 3.28Å; E489-I840 HydrophobicContact CB-CB 4.08Å; E489-I840 HydrophobicContact CB-CD1 4.19Å; E489-I840 HydrophobicContact CB-CG1 4.18Å; E489-I840 HydrophobicContact CG-CD1 3.87Å; E489-I840 HydrophobicContact CG-CG1 4.2Å; E489-I840 PolarHBondContact O-N 3.24Å; E489-F849 HydrophobicContact CB-CD2 3.73Å; E489-F849 HydrophobicContact CB-CE2 4.34Å; E489-F849 HydrophobicContact CB-CG 4.4Å; E489-F849 HydrophobicContact CG-CB 4.02Å; E489-F849 HydrophobicContact CG-CD2 4.04Å; E489-F849 HydrophobicContact CG-CG 4.28Å; E489-R887 IonicContact OE1-CZ 3.67Å; E489-R887 VanDerWaalsContact OE1-CZ 3.25Å; E489-R887 IonicContact OE1-NE 3.26Å; E489-R887 PolarHBondContact OE1-NE 3.15Å; E489-R887 IonicContact OE1-NH2 3.69Å; E489-R887 PolarHBondContact OE1-NH2 3.35Å; E489-R887 IonicContact OE2-NE 2.79Å; E489-R887 IonicContact OE2-NH2 2.74Å; E489-Q889 WeakPolarHBondContact CA-O 3.13Å; E489-S890 VanDerWaalsContact OE2-CA 3.32Å; E489-S890 WeakPolarHBondContact OE2-CA 3.4Å; E489-A891 HydrophobicContact CB-CB 4.08Å; E489-A891 PolarHBondContact OE2-N 3.15Å |
| 490 | K | 95.3 | Very high | 91 | Very high | 56.5 Ų | 56.5 | 40.2 Ų | 40.2 | 25% | 0.246 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127.1 | 174 | -64 | 179.1 | -177.4 | 145.8 | 0 | 111.3 | S488 T837 V838 E839 I888 Q889 | S488-K490 PolarHBondContact O-N 3.42Å; K490-T837 HydrophobicContact CB-CG2 4.17Å; K490-V838 WeakPolarHBondContact CA-O 3.38Å; K490-E839 VanDerWaalsContact CE-CD 3.45Å; K490-E839 VanDerWaalsContact CE-OE1 3.23Å; K490-E839 WeakPolarHBondContact CE-OE1 3.18Å; K490-E839 HydrophobicContact CG-CB 4.08Å; K490-E839 HydrophobicContact CG-CG 4.09Å; K490-E839 IonicContact NZ-OE1 2.55Å; K490-I888 HydrophobicContact CB-CD1 3.97Å; K490-I888 HydrophobicContact CB-CG1 3.67Å; K490-I888 WeakPolarHBondContact O-CG1 3.39Å; K490-I888 PolarHBondContact O-N 2.81Å; K490-Q889 HydrophobicContact CB-CB 3.99Å; K490-Q889 HydrophobicContact CD-CB 4.43Å; K490-Q889 VanDerWaalsContact CE-OE1 3.32Å; K490-Q889 HydrophobicContact CG-CB 4.33Å; K490-Q889 PolarHBondContact N-O 3.11Å; K490-Q889 PolarHBondContact O-N 2.92Å |
| 491 | Q | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.3 | 178.5 | -59.9 | -179.9 | 15.6 | 0 | 0 | 109.8 | E489 T837 V838 E850 L851 F852 V885 T886 | E489-Q491 HydrophobicContact CG-CG 4.28Å; E489-Q491 PolarHBondContact OE1-NE2 2.79Å; Q491-T837 CarbonylContact O-C 3.54Å; Q491-T837 WeakPolarHBondContact O-CA 3.01Å; Q491-V838 PolarHBondContact N-O 2.88Å; Q491-V838 PolarHBondContact O-N 3.14Å; Q491-E850 PolarHBondContact NE2-O 2.94Å; Q491-L851 HydrophobicContact CG-CD2 4.16Å; Q491-F852 VanDerWaalsContact OE1-CD2 3.26Å; Q491-V885 HydrophobicContact CB-CG2 4.18Å; Q491-T886 CarbonylContact C-O 3.51Å; Q491-T886 WeakPolarHBondContact CA-O 3.43Å |
| 492 | V | 96.2 | Very high | 90.4 | Very high | 32 Ų | 32 | 45.1 Ų | 45.1 | 19% | 0.194 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 123 | 173.4 | -179.8 | 0 | 0 | 0 | 0 | 108.1 | V835 V885 T886 I888 | V492-V835 HydrophobicContact CG1-CG1 3.8Å; V492-V885 CarbonylContact O-C 3.58Å; V492-V885 WeakPolarHBondContact O-CA 3.29Å; V492-T886 PolarHBondContact N-O 3.09Å; V492-T886 PolarHBondContact O-N 3Å; V492-I888 HydrophobicContact CG2-CD1 3.85Å; V492-I888 HydrophobicContact CG2-CG1 4.23Å; V492-I888 HydrophobicContact CG2-CG2 3.84Å |
| 493 | I | 96 | Very high | 90.2 | Very high | 2.5 Ų | 2.5 | 45.7 Ų | 45.7 | 1% | 0.013 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 122.4 | 174.2 | -52.2 | -62.5 | 0 | 0 | 0 | 107.7 | H495 V835 F836 V838 F852 V885 | I493-H495 WeakPolarHBondContact CG2-CE1 3.32Å; I493-H495 WeakPolarHBondContact CG2-NE2 3.45Å; I493-V835 VanDerWaalsContact O-CA 3.31Å; I493-V835 WeakPolarHBondContact O-CA 3.26Å; I493-F836 HydrophobicContact CB-CD1 4.49Å; I493-F836 HydrophobicContact CB-CD2 4.24Å; I493-F836 HydrophobicContact CB-CE1 4.09Å; I493-F836 HydrophobicContact CB-CE2 3.79Å; I493-F836 HydrophobicContact CB-CZ 3.7Å; I493-F836 HydrophobicContact CG1-CD2 4.38Å; I493-F836 HydrophobicContact CG1-CE2 3.78Å; I493-F836 HydrophobicContact CG1-CZ 4.07Å; I493-F836 HydrophobicContact CG2-CE1 4.03Å; I493-F836 HydrophobicContact CG2-CE2 4.3Å; I493-F836 HydrophobicContact CG2-CZ 3.72Å; I493-F836 PolarHBondContact N-O 2.9Å; I493-F836 PolarHBondContact O-N 3.34Å; I493-V838 HydrophobicContact CG1-CG2 3.71Å; I493-F852 HydrophobicContact CD1-CB 4.14Å; I493-V885 HydrophobicContact CD1-CB 3.94Å; I493-V885 HydrophobicContact CD1-CG2 3.6Å |
| 494 | D | 95.3 | Very high | 90.1 | Very high | 48 Ų | 48 | 46.6 Ų | 46.6 | 26% | 0.257 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 105.2 | 178.9 | -173.7 | -13.4 | 0 | 0 | 0 | 110 | S496 V835 S883 S884 | D494-S496 WeakPolarHBondContact OD1-CB 3.43Å; D494-S496 PolarHBondContact OD1-N 2.88Å; D494-S496 PolarHBondContact OD1-OG 3.07Å; D494-V835 HydrophobicContact CB-CG2 4.17Å; D494-V835 WeakPolarHBondContact OD1-CG2 3.24Å; D494-S883 CarbonylContact O-C 3.5Å; D494-S883 VanDerWaalsContact O-CA 3.32Å; D494-S883 WeakPolarHBondContact O-CA 3.4Å; D494-S883 PolarHBondContact O-OG 3.12Å; D494-S884 PolarHBondContact N-O 3.1Å; D494-S884 PolarHBondContact O-N 2.94Å |
| 495 | H | 94 | Very high | 90.1 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | trans | -106.1 | 17.7 | 173 | -62.6 | -38.4 | 0 | 0 | 0 | 112.5 | I493 A497 L498 I612 Y625 L627 G834 F836 S883 | I493-H495 WeakPolarHBondContact CG2-CE1 3.32Å; I493-H495 WeakPolarHBondContact CG2-NE2 3.45Å; H495-A497 PolarHBondContact O-N 2.86Å; H495-L498 HydrophobicContact CB-CB 4.42Å; H495-L498 HydrophobicContact CB-CD1 3.97Å; H495-L498 HydrophobicContact CB-CG 4.25Å; H495-L498 WeakPolarHBondContact O-CB 3.2Å; H495-L498 PolarHBondContact O-N 2.86Å; H495-I612 HydrophobicContact CB-CD1 4.46Å; H495-Y625 PolarHBondContact CD2-OH 2.92Å; H495-Y625 VanDerWaalsContact CD2-OH 3.26Å; H495-Y625 PolarHBondContact NE2-OH 2.77Å; H495-L627 HydrophobicContact CB-CD2 3.59Å; H495-G834 WeakPolarHBondContact CB-O 3.35Å; H495-G834 PolarHBondContact N-O 2.89Å; H495-F836 AromaticContact CD2-CE1 3.95Å; H495-S883 PolarHBondContact CE1-OG 3.01Å; H495-S883 WeakPolarHBondContact ND1-CB 3.27Å; H495-S883 PolarHBondContact ND1-OG 2.8Å | ||
| 496 | S | 92.1 | Very high | 90.2 | Very high | 46 Ų | 46 | 46.9 Ų | 46.9 | 32% | 0.322 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -58.6 | -33.7 | -176.9 | 61 | 0 | 0 | 0 | 0 | 112.8 | D494 L498 V499 | D494-S496 WeakPolarHBondContact OD1-CB 3.43Å; D494-S496 PolarHBondContact OD1-N 2.88Å; D494-S496 PolarHBondContact OD1-OG 3.07Å; S496-L498 VanDerWaalsContact C-N 3.28Å; S496-L498 PolarHBondContact O-N 2.87Å; S496-V499 VanDerWaalsContact O-CB 3.3Å; S496-V499 WeakPolarHBondContact O-CB 3.39Å; S496-V499 WeakPolarHBondContact O-CG2 3.28Å; S496-V499 PolarHBondContact O-N 3.12Å |
| 497 | A | 90.9 | Very high | 90.6 | Very high | 33.5 Ų | 33.5 | 42.1 Ų | 42.1 | 28% | 0.277 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -77.8 | -6.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | H495 Q882 | H495-A497 PolarHBondContact O-N 2.86Å; A497-Q882 HydrophobicContact CB-CG 4.1Å; A497-Q882 WeakPolarHBondContact CB-O 3.26Å |
| 498 | L | 88.3 | Confident | 90.8 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -87.3 | -13.5 | 170.2 | -56 | -174.8 | 0 | 0 | 0 | 112.3 | H495 S496 N500 S501 F608 I612 W877 V881 | H495-L498 HydrophobicContact CB-CB 4.42Å; H495-L498 HydrophobicContact CB-CD1 3.97Å; H495-L498 HydrophobicContact CB-CG 4.25Å; H495-L498 WeakPolarHBondContact O-CB 3.2Å; H495-L498 PolarHBondContact O-N 2.86Å; S496-L498 VanDerWaalsContact C-N 3.28Å; S496-L498 PolarHBondContact O-N 2.87Å; L498-N500 PolarHBondContact O-N 3.01Å; L498-S501 WeakPolarHBondContact CA-OG 3.43Å; L498-S501 WeakPolarHBondContact O-CB 3.4Å; L498-S501 PolarHBondContact O-N 2.95Å; L498-S501 PolarHBondContact O-OG 2.91Å; L498-F608 HydrophobicContact CB-CD2 4.35Å; L498-F608 HydrophobicContact CB-CE1 4.13Å; L498-F608 HydrophobicContact CB-CE2 3.87Å; L498-F608 HydrophobicContact CB-CZ 3.76Å; L498-F608 HydrophobicContact CD1-CD1 4.15Å; L498-F608 HydrophobicContact CD1-CD2 3.94Å; L498-F608 HydrophobicContact CD1-CE1 3.67Å; L498-F608 HydrophobicContact CD1-CE2 3.77Å; L498-F608 HydrophobicContact CD1-CZ 3.94Å; L498-F608 HydrophobicContact CD2-CD2 4.39Å; L498-F608 HydrophobicContact CD2-CE1 4.42Å; L498-F608 HydrophobicContact CD2-CE2 3.98Å; L498-F608 HydrophobicContact CD2-CZ 4Å; L498-F608 HydrophobicContact CG-CE2 4.41Å; L498-F608 WeakPolarHBondContact O-CE1 3.29Å; L498-I612 HydrophobicContact CD1-CD1 4.31Å; L498-W877 HydrophobicContact CD2-CZ3 4.27Å; L498-V881 HydrophobicContact CD2-CG1 3.47Å; L498-V881 VanDerWaalsContact CD2-CG1 3.47Å |
| 499 | V | 85.3 | Confident | 91.1 | Very high | 47.5 Ų | 47.5 | 40.2 Ų | 40.2 | 29% | 0.288 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 124.5 | -179 | -179.9 | 0 | 0 | 0 | 0 | 109.5 | S496 S501 L627 F833 | S496-V499 VanDerWaalsContact O-CB 3.3Å; S496-V499 WeakPolarHBondContact O-CB 3.39Å; S496-V499 WeakPolarHBondContact O-CG2 3.28Å; S496-V499 PolarHBondContact O-N 3.12Å; V499-S501 PolarHBondContact O-N 3.35Å; V499-L627 HydrophobicContact CG2-CD1 3.97Å; V499-F833 HydrophobicContact CG1-CD1 4.3Å; V499-F833 HydrophobicContact CG2-CD1 3.8Å; V499-F833 HydrophobicContact CG2-CE1 4.25Å |
| 500 | N | 82.5 | Confident | 91.3 | Very high | 166 Ų | 166 | 40.1 Ų | 40.1 | 89% | 0.888 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 12.5 | -175.7 | -51.4 | -35.9 | 0 | 0 | 0 | 115.6 | L498 | L498-N500 PolarHBondContact O-N 3.01Š|
| 501 | S | 83.9 | Confident | 91.3 | Very high | 19.5 Ų | 19.5 | 38.8 Ų | 38.8 | 14% | 0.136 | 24% | 0.237 | C | C | . | . | trans | -81.9 | 149.1 | 170.8 | 72.5 | 0 | 0 | 0 | 0 | 111 | L498 V499 F608 | L498-S501 WeakPolarHBondContact CA-OG 3.43Å; L498-S501 WeakPolarHBondContact O-CB 3.4Å; L498-S501 PolarHBondContact O-N 2.95Å; L498-S501 PolarHBondContact O-OG 2.91Å; V499-S501 PolarHBondContact O-N 3.35Å; S501-F608 VanDerWaalsContact O-CD1 3.3Å; S501-F608 WeakPolarHBondContact O-CD1 3.34Å; S501-F608 VanDerWaalsContact OG-CD1 3.22Å; S501-F608 WeakPolarHBondContact OG-CD1 3.42Å | ||
| 502 | S | 85.6 | Confident | 91.2 | Very high | 97.5 Ų | 97.5 | 38.8 Ų | 38.8 | 68% | 0.682 | 24% | 0.237 | S | C | * | . | trans | -137.7 | 115.2 | 169.5 | -179.1 | 0 | 0 | 0 | 0 | 108.4 | F608 | S502-F608 WeakPolarHBondContact CA-O 3.4Š| ||
| 503 | I | 86.7 | Confident | 91 | Very high | 12 Ų | 12 | 38.4 Ų | 38.4 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -117.5 | 124.5 | -179 | -62.2 | 165.1 | 0 | 0 | 0 | 107.7 | P505 M605 G607 F608 W877 V881 | I503-P505 WeakPolarHBondContact O-CD 3.45Å; I503-M605 HydrophobicContact CG2-CE 3.92Å; I503-G607 CarbonylContact O-C 3.53Å; I503-G607 VanDerWaalsContact O-CA 3.25Å; I503-G607 WeakPolarHBondContact O-CA 3.41Å; I503-F608 HydrophobicContact CB-CB 4.25Å; I503-F608 HydrophobicContact CB-CD2 4.16Å; I503-F608 HydrophobicContact CD1-CB 4.17Å; I503-F608 HydrophobicContact CD1-CD2 3.56Å; I503-F608 HydrophobicContact CD1-CE2 3.98Å; I503-F608 HydrophobicContact CG1-CB 4.44Å; I503-F608 HydrophobicContact CG1-CD2 4.25Å; I503-F608 PolarHBondContact N-O 3Å; I503-F608 PolarHBondContact O-N 2.92Å; I503-W877 HydrophobicContact CD1-CB 4.16Å; I503-W877 HydrophobicContact CD1-CD2 3.71Å; I503-W877 HydrophobicContact CD1-CE3 4.26Å; I503-W877 HydrophobicContact CD1-CG 3.63Å; I503-W877 HydrophobicContact CD1-CZ2 4.43Å; I503-V881 HydrophobicContact CD1-CB 4.37Å; I503-V881 HydrophobicContact CD1-CG1 3.65Å |
| 504 | V | 88.7 | Confident | 90.8 | Very high | 116 Ų | 116 | 38.3 Ų | 38.3 | 70% | 0.703 | 24% | 0.235 | S | C | * | . | trans | -72.7 | 121.9 | 177.2 | -177.4 | 0 | 0 | 0 | 0 | 108.8 | M605 | V504-M605 WeakPolarHBondContact O-CE 3.46Š| ||
| 505 | P | 89.9 | Confident | 90.6 | Very high | 32 Ų | 32 | 36.1 Ų | 36.1 | 21% | 0.208 | 22% | 0.223 | C | C | . | . | trans | -70.9 | 156.2 | 177.6 | 28.9 | -34.1 | 0 | 0 | 0 | 112.1 | I503 Q576 M605 | I503-P505 WeakPolarHBondContact O-CD 3.45Å; P505-Q576 HydrophobicContact CB-CB 4.04Å; P505-Q576 HydrophobicContact CB-CG 4.23Å; P505-Q576 WeakPolarHBondContact CB-O 3.45Å; P505-Q576 HydrophobicContact CG-CB 4.09Å; P505-Q576 HydrophobicContact CG-CG 3.78Å; P505-M605 WeakPolarHBondContact CA-O 3.34Å | ||
| 506 | I | 92.2 | Very high | 90.3 | Very high | 66.5 Ų | 66.5 | 37.5 Ų | 37.5 | 34% | 0.341 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -116.5 | 130.3 | 169.8 | -60.7 | 169.4 | 0 | 0 | 0 | 107.8 | V602 G604 M605 | I506-V602 HydrophobicContact CG2-CG1 3.9Å; I506-G604 WeakPolarHBondContact O-CA 3.33Å; I506-M605 HydrophobicContact CB-CB 3.81Å; I506-M605 HydrophobicContact CD1-CB 3.95Å; I506-M605 HydrophobicContact CD1-CE 4.03Å; I506-M605 HydrophobicContact CD1-SD 4.22Å; I506-M605 HydrophobicContact CG1-CB 4.03Å; I506-M605 HydrophobicContact CG1-CE 4.11Å; I506-M605 PolarHBondContact N-O 3.45Å; I506-M605 PolarHBondContact O-N 2.79Å |
| 507 | A | 92 | Very high | 90.1 | Very high | 27 Ų | 27 | 38.7 Ų | 38.7 | 22% | 0.223 | 25% | 0.245 | C | C | . | . | trans | -72.9 | 132.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T573 F574 Q576 | A507-T573 HydrophobicContact CB-CG2 4.1Å; A507-F574 WeakPolarHBondContact CB-O 3.41Å; A507-Q576 HydrophobicContact CB-CB 4.09Å | ||
| 508 | E | 94.5 | Very high | 90 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | trans | -66.1 | 135.4 | 168.8 | 170.8 | 72.6 | -171.3 | 0 | 0 | 110.4 | Q510 T573 F574 I581 E600 V602 Q603 G604 | E508-Q510 HydrophobicContact CG-CG 4.09Å; E508-Q510 WeakPolarHBondContact OE1-CG 3.23Å; E508-Q510 PolarHBondContact OE1-NE2 2.97Å; E508-T573 WeakPolarHBondContact O-CA 3.38Å; E508-F574 HydrophobicContact CB-CB 4.1Å; E508-F574 HydrophobicContact CB-CD2 4.18Å; E508-F574 HydrophobicContact CG-CB 4.48Å; E508-F574 HydrophobicContact CG-CD2 3.69Å; E508-F574 HydrophobicContact CG-CE2 4.32Å; E508-F574 HydrophobicContact CG-CG 4.39Å; E508-F574 PolarHBondContact O-N 2.77Å; E508-I581 HydrophobicContact CB-CD1 4.49Å; E508-I581 HydrophobicContact CB-CG1 4.49Å; E508-I581 HydrophobicContact CG-CB 4.19Å; E508-E600 WeakPolarHBondContact OE1-CG 3.22Å; E508-V602 CarbonylContact C-O 3.5Å; E508-V602 WeakPolarHBondContact CA-O 3.35Å; E508-Q603 VanDerWaalsContact OE2-CA 3.3Å; E508-Q603 WeakPolarHBondContact OE2-CA 3.19Å; E508-G604 PolarHBondContact OE2-N 3.06Å | ||
| 509 | I | 96.1 | Very high | 90.1 | Very high | 33.5 Ų | 33.5 | 41 Ų | 41 | 17% | 0.172 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 120.8 | 172.9 | -54.8 | -179.1 | 0 | 0 | 0 | 108.9 | E571 I572 T573 T601 V602 | I509-E571 HydrophobicContact CG2-CG 3.45Å; I509-E571 VanDerWaalsContact CG2-CG 3.45Å; I509-I572 WeakPolarHBondContact CA-O 3.31Å; I509-T573 HydrophobicContact CG1-CG2 4.11Å; I509-T601 WeakPolarHBondContact O-CA 3.42Å; I509-T601 WeakPolarHBondContact O-CB 3.36Å; I509-T601 PolarHBondContact O-N 3.19Å; I509-V602 HydrophobicContact CB-CB 3.92Å; I509-V602 HydrophobicContact CB-CG2 4.16Å; I509-V602 HydrophobicContact CD1-CB 4.21Å; I509-V602 HydrophobicContact CD1-CG2 3.87Å; I509-V602 HydrophobicContact CG1-CB 4.02Å; I509-V602 HydrophobicContact CG1-CG2 4.2Å; I509-V602 PolarHBondContact N-O 3.05Å; I509-V602 PolarHBondContact O-N 3.29Å; I509-V602 VanDerWaalsContact O-N 3.08Å |
| 510 | Q | 96.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 139.9 | 176 | -62.8 | -179.2 | 8.2 | 0 | 0 | 111.1 | E508 E571 I572 F574 I581 P582 L583 V598 N599 | E508-Q510 HydrophobicContact CG-CG 4.09Å; E508-Q510 WeakPolarHBondContact OE1-CG 3.23Å; E508-Q510 PolarHBondContact OE1-NE2 2.97Å; Q510-E571 CarbonylContact O-C 3.5Å; Q510-E571 WeakPolarHBondContact O-CA 3.36Å; Q510-I572 PolarHBondContact N-O 3.06Å; Q510-I572 PolarHBondContact O-N 2.78Å; Q510-F574 HydrophobicContact CB-CE2 4.14Å; Q510-F574 HydrophobicContact CG-CE2 3.9Å; Q510-I581 PolarHBondContact NE2-O 3.08Å; Q510-I581 VanDerWaalsContact NE2-O 3.11Å; Q510-P582 PolarHBondContact NE2-O 2.89Å; Q510-L583 HydrophobicContact CG-CD2 4.31Å; Q510-V598 HydrophobicContact CB-CG1 4.37Å; Q510-N599 CarbonylContact C-O 3.45Å; Q510-N599 WeakPolarHBondContact CA-O 3.36Å |
| 511 | T | 94.6 | Very high | 90.9 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 17% | 0.172 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125 | 172.5 | -59.1 | 0 | 0 | 0 | 0 | 110.3 | I569 L570 V598 N599 T601 | T511-I569 HydrophobicContact CG2-CG2 3.48Å; T511-I569 VanDerWaalsContact CG2-CG2 3.48Å; T511-L570 CarbonylContact C-O 3.53Å; T511-L570 VanDerWaalsContact CA-O 3.29Å; T511-L570 WeakPolarHBondContact CA-O 3.42Å; T511-V598 WeakPolarHBondContact O-CA 3.44Å; T511-N599 PolarHBondContact N-O 3.15Å; T511-N599 PolarHBondContact O-N 3.43Å; T511-T601 PolarHBondContact OG1-OG1 3.14Å |
| 512 | V | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 123.2 | -176.2 | 176.3 | 0 | 0 | 0 | 0 | 109.2 | I514 L523 I569 L570 I572 L584 L586 Q597 V598 | V512-I514 HydrophobicContact CG1-CD1 3.97Å; V512-I514 HydrophobicContact CG1-CG1 3.89Å; V512-L523 HydrophobicContact CG1-CD2 4.27Å; V512-I569 CarbonylContact O-C 3.59Å; V512-I569 VanDerWaalsContact O-CA 3.31Å; V512-I569 WeakPolarHBondContact O-CA 3.46Å; V512-L570 HydrophobicContact CB-CB 4.37Å; V512-L570 PolarHBondContact N-O 3.02Å; V512-L570 PolarHBondContact O-N 2.93Å; V512-I572 HydrophobicContact CG2-CD1 3.9Å; V512-L584 HydrophobicContact CG2-CD1 3.98Å; V512-L586 HydrophobicContact CG1-CD1 3.09Å; V512-Q597 CarbonylContact C-O 3.56Å; V512-V598 HydrophobicContact CB-CG2 4.49Å; V512-V598 HydrophobicContact CG1-CG2 4.27Å; V512-V598 HydrophobicContact CG2-CG1 4.06Å; V512-V598 HydrophobicContact CG2-CG2 4.06Å |
| 513 | S | 91.9 | Very high | 91.7 | Very high | 23.5 Ų | 23.5 | 30.2 Ų | 30.2 | 16% | 0.164 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 111.2 | 179.5 | -61 | 0 | 0 | 0 | 0 | 110.2 | P596 Q597 | S513-P596 CarbonylContact O-C 3.44Å; S513-P596 VanDerWaalsContact O-CA 3.23Å; S513-P596 WeakPolarHBondContact O-CA 3.27Å; S513-P596 WeakPolarHBondContact O-CB 3.36Å; S513-Q597 PolarHBondContact N-O 3.26Å; S513-Q597 PolarHBondContact O-N 3.06Å |
| 514 | I | 92.7 | Very high | 92 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.4 | -176 | -59.2 | 146.8 | 0 | 0 | 0 | 109.4 | V512 T516 Y521 V535 Y567 L568 L570 L586 | V512-I514 HydrophobicContact CG1-CD1 3.97Å; V512-I514 HydrophobicContact CG1-CG1 3.89Å; I514-T516 PolarHBondContact O-N 3.19Å; I514-Y521 HydrophobicContact CD1-CD1 4.01Å; I514-Y521 HydrophobicContact CD1-CD2 3.59Å; I514-Y521 HydrophobicContact CD1-CE1 4.01Å; I514-Y521 HydrophobicContact CD1-CE2 3.59Å; I514-Y521 HydrophobicContact CD1-CG 3.8Å; I514-Y521 HydrophobicContact CG1-CD2 4.37Å; I514-Y521 HydrophobicContact CG1-CG 4.38Å; I514-Y521 HydrophobicContact CG2-CD1 4.44Å; I514-Y521 HydrophobicContact CG2-CG 4.37Å; I514-V535 HydrophobicContact CG2-CG1 4.46Å; I514-V535 HydrophobicContact CG2-CG2 3.85Å; I514-Y567 CarbonylContact O-C 3.53Å; I514-Y567 VanDerWaalsContact O-CA 3.25Å; I514-Y567 WeakPolarHBondContact O-CA 3.31Å; I514-L568 HydrophobicContact CB-CB 4.4Å; I514-L568 HydrophobicContact CD1-CD2 4.18Å; I514-L568 HydrophobicContact CD1-CG 4.49Å; I514-L568 PolarHBondContact N-O 2.88Å; I514-L568 PolarHBondContact O-N 2.87Å; I514-L570 HydrophobicContact CD1-CD1 3.99Å; I514-L586 HydrophobicContact CD1-CD1 4Å; I514-L586 HydrophobicContact CG1-CD1 3.51Å; I514-L586 VanDerWaalsContact CG1-CD1 3.44Å; I514-L586 HydrophobicContact CG1-CD2 4.02Å; I514-L586 HydrophobicContact CG1-CG 4.44Å |
| 515 | P | 91 | Very high | 92.1 | Very high | 2.5 Ų | 2.5 | 24.5 Ų | 24.5 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 130.6 | 175.6 | -18 | 27 | 0 | 0 | 0 | 111.8 | A517 A518 D566 Y567 T592 N594 | P515-A517 PolarHBondContact O-N 3.08Å; P515-A518 WeakPolarHBondContact O-CB 3.32Å; P515-A518 PolarHBondContact O-N 3.12Å; P515-D566 CarbonylContact C-O 3.58Å; P515-D566 VanDerWaalsContact CA-O 3.32Å; P515-D566 WeakPolarHBondContact CA-O 3.42Å; P515-Y567 HydrophobicContact CB-CD1 4.47Å; P515-Y567 HydrophobicContact CB-CE1 4.34Å; P515-Y567 HydrophobicContact CG-CD1 4.35Å; P515-Y567 HydrophobicContact CG-CE1 3.96Å; P515-T592 HydrophobicContact CB-CG2 4.33Å; P515-T592 WeakPolarHBondContact CB-OG1 3.41Å; P515-T592 WeakPolarHBondContact CG-OG1 3.18Å; P515-N594 HydrophobicContact CB-CB 4.42Å; P515-N594 HydrophobicContact CG-CB 4.07Å; P515-N594 WeakPolarHBondContact CG-O 3.44Å |
| 516 | T | 88 | Confident | 91.9 | Very high | 31.5 Ų | 31.5 | 24.6 Ų | 24.6 | 19% | 0.193 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17.6 | 177.4 | 51.3 | 0 | 0 | 0 | 0 | 113.7 | I514 A518 Q536 T564 N565 D566 | I514-T516 PolarHBondContact O-N 3.19Å; T516-A518 PolarHBondContact O-N 3.39Å; T516-Q536 PolarHBondContact O-NE2 2.94Å; T516-T564 WeakPolarHBondContact CG2-O 3.23Å; T516-N565 PolarHBondContact OG1-O 3.04Å; T516-D566 PolarHBondContact N-O 2.33Å; T516-D566 VanDerWaalsContact OG1-C 3.3Å; T516-D566 WeakPolarHBondContact OG1-CA 3.33Å; T516-D566 PolarHBondContact OG1-O 3.34Å |
| 517 | A | 87.3 | Confident | 91.6 | Very high | 70.5 Ų | 70.5 | 28.2 Ų | 28.2 | 58% | 0.583 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P515 T592 | P515-A517 PolarHBondContact O-N 3.08Å; A517-T592 HydrophobicContact CB-CG2 3.83Å |
| 518 | A | 89.4 | Confident | 91.6 | Very high | 0.5 Ų | 0.5 | 27 Ų | 27 | 0% | 0.004 | 16% | 0.156 | C | C | . | . | trans | -76.8 | 139.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | P515 T516 V535 T592 | P515-A518 WeakPolarHBondContact O-CB 3.32Å; P515-A518 PolarHBondContact O-N 3.12Å; T516-A518 PolarHBondContact O-N 3.39Å; A518-V535 HydrophobicContact CB-CG2 4.19Å; A518-V535 VanDerWaalsContact O-CB 3.26Å; A518-V535 WeakPolarHBondContact O-CB 3.29Å; A518-V535 VanDerWaalsContact O-CG2 3.27Å; A518-V535 WeakPolarHBondContact O-CG2 3.37Å; A518-T592 HydrophobicContact CB-CG2 3.94Å | ||
| 519 | T | 90.1 | Very high | 91.5 | Very high | 85.5 Ų | 85.5 | 27.2 Ų | 27.2 | 53% | 0.525 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -86.6 | -34.8 | 175.7 | 58.2 | 0 | 0 | 0 | 0 | 111.4 | V535 F589 | T519-V535 PolarHBondContact O-N 3.29Å; T519-F589 PolarHBondContact N-O 3.04Å; T519-F589 PolarHBondContact OG1-O 3.06Å |
| 520 | Q | 91.7 | Very high | 91.2 | Very high | 82.5 Ų | 82.5 | 25.6 Ų | 25.6 | 39% | 0.386 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 159.1 | 179.4 | -65.7 | 179.4 | -37.9 | 0 | 0 | 111.1 | P532 L533 F589 | Q520-P532 HydrophobicContact CB-CB 4.24Å; Q520-P532 HydrophobicContact CG-CB 4.46Å; Q520-L533 CarbonylContact C-O 3.55Å; Q520-L533 WeakPolarHBondContact CA-O 3.18Å; Q520-F589 HydrophobicContact CB-CB 4.38Å; Q520-F589 PolarHBondContact N-O 3.28Å; Q520-F589 PolarHBondContact O-N 3.03Å |
| 521 | Y | 92.8 | Very high | 90.8 | Very high | 0.5 Ų | 0.5 | 27.9 Ų | 27.9 | 0% | 0.002 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 160.5 | 172.9 | 66.4 | -77.3 | 0 | 0 | 0 | 111.6 | I514 L523 L533 P534 V535 I543 L568 L570 L586 Q587 | I514-Y521 HydrophobicContact CD1-CD1 4.01Å; I514-Y521 HydrophobicContact CD1-CD2 3.59Å; I514-Y521 HydrophobicContact CD1-CE1 4.01Å; I514-Y521 HydrophobicContact CD1-CE2 3.59Å; I514-Y521 HydrophobicContact CD1-CG 3.8Å; I514-Y521 HydrophobicContact CG1-CD2 4.37Å; I514-Y521 HydrophobicContact CG1-CG 4.38Å; I514-Y521 HydrophobicContact CG2-CD1 4.44Å; I514-Y521 HydrophobicContact CG2-CG 4.37Å; Y521-L523 HydrophobicContact CD2-CD2 3.94Å; Y521-L523 HydrophobicContact CD2-CG 4.03Å; Y521-L523 HydrophobicContact CE2-CD1 4.07Å; Y521-L523 HydrophobicContact CE2-CD2 3.94Å; Y521-L523 HydrophobicContact CE2-CG 3.82Å; Y521-L533 HydrophobicContact CD1-CB 4.13Å; Y521-L533 VanDerWaalsContact CD1-O 3.24Å; Y521-L533 WeakPolarHBondContact CD1-O 3.13Å; Y521-L533 HydrophobicContact CD2-CB 4.42Å; Y521-L533 HydrophobicContact CD2-CD1 4.48Å; Y521-L533 HydrophobicContact CE1-CB 3.72Å; Y521-L533 HydrophobicContact CE2-CB 4.02Å; Y521-L533 HydrophobicContact CE2-CD1 3.81Å; Y521-L533 HydrophobicContact CG-CB 4.47Å; Y521-L533 PolarHBondContact N-O 3.04Å; Y521-L533 PolarHBondContact O-N 3.19Å; Y521-P534 WeakPolarHBondContact CE1-O 3.5Å; Y521-V535 HydrophobicContact CD1-CG2 3.58Å; Y521-V535 HydrophobicContact CE1-CG2 4.27Å; Y521-V535 HydrophobicContact CG-CG2 4.49Å; Y521-I543 VanDerWaalsContact OH-CD1 3.23Å; Y521-I543 WeakPolarHBondContact OH-CD1 3.32Å; Y521-L568 HydrophobicContact CE1-CD2 4.28Å; Y521-L570 HydrophobicContact CE2-CD1 4.26Å; Y521-L570 WeakPolarHBondContact OH-CD1 3.4Å; Y521-L586 HydrophobicContact CD2-CD1 4.39Å; Y521-Q587 CarbonylContact C-O 3.42Å; Y521-Q587 WeakPolarHBondContact CA-O 3.47Å |
| 522 | K | 92.6 | Very high | 90.5 | Very high | 18 Ų | 18 | 28.4 Ų | 28.4 | 8% | 0.078 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 140.4 | 169.8 | -64.6 | 178.2 | -172 | 170.1 | 0 | 109.8 | C529 Q587 F589 D809 | K522-C529 HydrophobicContact CB-CB 4.43Å; K522-C529 HydrophobicContact CD-CB 4.34Å; K522-Q587 HydrophobicContact CB-CB 4.4Å; K522-Q587 PolarHBondContact N-O 3.19Å; K522-Q587 PolarHBondContact O-N 3.03Å; K522-Q587 VanDerWaalsContact O-N 3.12Å; K522-F589 HydrophobicContact CD-CE2 3.92Å; K522-F589 HydrophobicContact CD-CZ 4.31Å; K522-F589 HydrophobicContact CG-CE2 3.93Å; K522-D809 WeakPolarHBondContact CE-OD1 3.36Å; K522-D809 IonicContact NZ-OD1 3.24Å; K522-D809 PolarHBondContact NZ-OD1 3.08Å; K522-D809 IonicContact NZ-OD2 3.99Å |
| 523 | L | 93.6 | Very high | 90.5 | Very high | 3.5 Ų | 3.5 | 28.5 Ų | 28.5 | 2% | 0.018 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 124 | 171.1 | -58.8 | 175.2 | 0 | 0 | 0 | 107.6 | V512 Y521 C529 T530 L533 I543 I547 I572 L586 | V512-L523 HydrophobicContact CG1-CD2 4.27Å; Y521-L523 HydrophobicContact CD2-CD2 3.94Å; Y521-L523 HydrophobicContact CD2-CG 4.03Å; Y521-L523 HydrophobicContact CE2-CD1 4.07Å; Y521-L523 HydrophobicContact CE2-CD2 3.94Å; Y521-L523 HydrophobicContact CE2-CG 3.82Å; L523-C529 CarbonylContact O-C 3.5Å; L523-C529 WeakPolarHBondContact O-CA 3.22Å; L523-T530 HydrophobicContact CB-CG2 4.01Å; L523-T530 PolarHBondContact N-OG1 3.05Å; L523-T530 VanDerWaalsContact N-OG1 3.11Å; L523-T530 WeakPolarHBondContact O-CG2 3.46Å; L523-T530 PolarHBondContact O-N 3.05Å; L523-L533 HydrophobicContact CD1-CD1 4.25Å; L523-L533 HydrophobicContact CG-CD1 4.39Å; L523-I543 HydrophobicContact CD1-CG2 3.99Å; L523-I547 HydrophobicContact CD1-CD1 3.58Å; L523-I547 HydrophobicContact CD1-CG1 4.08Å; L523-I572 HydrophobicContact CD1-CD1 4Å; L523-L586 HydrophobicContact CD2-CD1 3.53Å; L523-L586 HydrophobicContact CD2-CG 4.13Å |
| 524 | C | 92.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 3% | 0.027 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 128.1 | -178.1 | -53.6 | 0 | 0 | 0 | 0 | 110.1 | S528 C529 N585 | C524-S528 CarbonylContact C-O 3.52Å; C524-S528 VanDerWaalsContact CA-O 3.3Å; C524-S528 WeakPolarHBondContact CA-O 3.25Å; C524-C529 HydrophobicContact CB-CB 4.11Å; C524-C529 WeakPolarHBondContact CB-SG 3.25Å; C524-C529 WeakPolarHBondContact SG-CB 3.41Å; C524-C529 CovalentContact SG-SG 2.05Å; C524-C529 PolarHBondContact SG-SG 2.8Å; C524-N585 WeakPolarHBondContact CA-O 3.43Å; C524-N585 HydrophobicContact CB-CB 4.15Å; C524-N585 WeakPolarHBondContact CB-O 3.24Å; C524-N585 PolarHBondContact N-O 3.12Å; C524-N585 PolarHBondContact O-N 3.02Å |
| 525 | L | 90.4 | Very high | 90.3 | Very high | 4.5 Ų | 4.5 | 29.8 Ų | 29.8 | 2% | 0.024 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126.2 | 177.9 | -170.9 | 67.4 | 0 | 0 | 0 | 108.6 | N527 S528 L551 F574 I581 P582 L584 | L525-N527 VanDerWaalsContact C-N 3.29Å; L525-N527 PolarHBondContact O-N 2.79Å; L525-S528 PolarHBondContact N-O 3.19Å; L525-S528 WeakPolarHBondContact O-CB 3.23Å; L525-S528 PolarHBondContact O-N 2.96Å; L525-L551 HydrophobicContact CD2-CD2 3.9Å; L525-L551 HydrophobicContact CD2-CG 4.33Å; L525-F574 HydrophobicContact CD2-CE1 4.21Å; L525-I581 HydrophobicContact CD1-CG2 3.72Å; L525-I581 HydrophobicContact CD2-CG2 4.46Å; L525-P582 HydrophobicContact CD1-CG 4.39Å; L525-L584 HydrophobicContact CB-CD2 3.94Å; L525-L584 HydrophobicContact CD1-CD2 4Å; L525-L584 HydrophobicContact CG-CD2 4.42Å |
| 526 | F | 87.1 | Confident | 90.1 | Very high | 33.5 Ų | 33.5 | 35.7 Ų | 35.7 | 15% | 0.147 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 44 | -172 | -49.4 | -72.6 | 0 | 0 | 0 | 113.6 | S528 I581 P582 G618 M619 Y620 R815 | F526-S528 PolarHBondContact O-N 2.98Å; F526-S528 VanDerWaalsContact O-N 3.08Å; F526-I581 HydrophobicContact CZ-CG2 4.42Å; F526-P582 HydrophobicContact CD1-CG 4.28Å; F526-P582 HydrophobicContact CE1-CG 3.54Å; F526-P582 HydrophobicContact CZ-CG 3.82Å; F526-G618 VanDerWaalsContact CE1-O 3.26Å; F526-G618 WeakPolarHBondContact CE1-O 3.36Å; F526-M619 HydrophobicContact CB-CE 4.37Å; F526-M619 HydrophobicContact CD1-CG 4.31Å; F526-Y620 AromaticContact CD2-CE1 3.96Å; F526-Y620 HydrophobicContact CD2-CE1 3.99Å; F526-Y620 HydrophobicContact CE1-CE1 4.4Å; F526-Y620 AromaticContact CE2-CD1 3.85Å; F526-Y620 HydrophobicContact CE2-CD1 3.85Å; F526-Y620 AromaticContact CE2-CE1 3.19Å; F526-Y620 HydrophobicContact CE2-CE1 3.19Å; F526-Y620 AromaticContact CE2-CZ 3.57Å; F526-Y620 WeakPolarHBondContact CE2-OH 3.23Å; F526-Y620 AromaticContact CZ-CD1 3.76Å; F526-Y620 HydrophobicContact CZ-CD1 3.76Å; F526-Y620 AromaticContact CZ-CE1 3.58Å; F526-Y620 HydrophobicContact CZ-CE1 3.58Å; F526-R815 HydrophobicContact CB-CG 3.97Å |
| 527 | N | 86.1 | Confident | 90 | Very high | 142.5 Ų | 142.5 | 40.8 Ų | 40.8 | 76% | 0.762 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 13.3 | -175.8 | -59.2 | -26.9 | 0 | 0 | 0 | 115.2 | L525 | L525-N527 VanDerWaalsContact C-N 3.29Å; L525-N527 PolarHBondContact O-N 2.79Å |
| 528 | S | 90.9 | Very high | 90 | Very high | 0.5 Ų | 0.5 | 38.8 Ų | 38.8 | 0% | 0.003 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 122.7 | 171.2 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | C524 L525 F526 K550 T812 W813 P814 | C524-S528 CarbonylContact C-O 3.52Å; C524-S528 VanDerWaalsContact CA-O 3.3Å; C524-S528 WeakPolarHBondContact CA-O 3.25Å; L525-S528 PolarHBondContact N-O 3.19Å; L525-S528 WeakPolarHBondContact O-CB 3.23Å; L525-S528 PolarHBondContact O-N 2.96Å; F526-S528 PolarHBondContact O-N 2.98Å; F526-S528 VanDerWaalsContact O-N 3.08Å; S528-K550 WeakPolarHBondContact OG-CD 3.36Å; S528-K550 VanDerWaalsContact OG-CE 3.31Å; S528-K550 WeakPolarHBondContact OG-CE 3.21Å; S528-K550 PolarHBondContact OG-NZ 3.11Å; S528-T812 WeakPolarHBondContact CA-O 3.35Å; S528-W813 PolarHBondContact OG-O 3.13Å; S528-P814 WeakPolarHBondContact CB-O 3.46Å; S528-P814 PolarHBondContact OG-O 2.7Å |
| 529 | C | 92.2 | Very high | 90.1 | Very high | 5.5 Ų | 5.5 | 42.5 Ų | 42.5 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 149.7 | -174.1 | -59.2 | 0 | 0 | 0 | 0 | 112 | K522 L523 C524 K550 T812 | K522-C529 HydrophobicContact CB-CB 4.43Å; K522-C529 HydrophobicContact CD-CB 4.34Å; L523-C529 CarbonylContact O-C 3.5Å; L523-C529 WeakPolarHBondContact O-CA 3.22Å; C524-C529 HydrophobicContact CB-CB 4.11Å; C524-C529 WeakPolarHBondContact CB-SG 3.25Å; C524-C529 WeakPolarHBondContact SG-CB 3.41Å; C524-C529 CovalentContact SG-SG 2.05Å; C524-C529 PolarHBondContact SG-SG 2.8Å; C529-K550 VanDerWaalsContact C-CE 3.49Å; C529-K550 WeakPolarHBondContact O-CE 3.12Å; C529-K550 PolarHBondContact O-NZ 2.84Å; C529-T812 PolarHBondContact N-O 2.86Å |
| 530 | T | 91.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | trans | -66.9 | 165.2 | 165 | 65.5 | 0 | 0 | 0 | 0 | 110.6 | L523 E546 I547 | L523-T530 HydrophobicContact CB-CG2 4.01Å; L523-T530 PolarHBondContact N-OG1 3.05Å; L523-T530 VanDerWaalsContact N-OG1 3.11Å; L523-T530 WeakPolarHBondContact O-CG2 3.46Å; L523-T530 PolarHBondContact O-N 3.05Å; T530-E546 HydrophobicContact CG2-CB 3.63Å; T530-I547 HydrophobicContact CG2-CG1 4.3Å | ||
| 531 | L | 87.6 | Confident | 90.1 | Very high | 47 Ų | 47 | 42.1 Ų | 42.1 | 25% | 0.246 | 23% | 0.227 | C | C | . | . | trans | -57.3 | 160.9 | 161.4 | -3.5 | 128.8 | 0 | 0 | 0 | 111.5 | L533 L542 E546 W813 | L531-L533 HydrophobicContact CD1-CD2 4.2Å; L531-L533 PolarHBondContact O-N 3.25Å; L531-L533 VanDerWaalsContact O-N 3.09Å; L531-L542 HydrophobicContact CD1-CD2 4.47Å; L531-E546 HydrophobicContact CD2-CG 4.11Å; L531-E546 WeakPolarHBondContact CD2-OE1 3.45Å; L531-E546 WeakPolarHBondContact CD2-OE2 3.44Å; L531-E546 HydrophobicContact CG-CG 4.1Å; L531-E546 WeakPolarHBondContact CG-OE2 3.36Å; L531-E546 PolarHBondContact N-OE2 3.04Å; L531-E546 VanDerWaalsContact N-OE2 3.08Å; L531-W813 HydrophobicContact CD2-CH2 4.05Å; L531-W813 HydrophobicContact CD2-CZ2 3.29Å; L531-W813 HydrophobicContact CG-CZ2 4.43Å | ||
| 532 | P | 89.2 | Confident | 90.1 | Very high | 39.5 Ų | 39.5 | 44.4 Ų | 44.4 | 26% | 0.256 | 24% | 0.239 | S | C | . | . | trans | -58.7 | 113.3 | 172.2 | -20.4 | 30.3 | 0 | 0 | 0 | 111.7 | Q520 | Q520-P532 HydrophobicContact CB-CB 4.24Å; Q520-P532 HydrophobicContact CG-CB 4.46Å | ||
| 533 | L | 92.2 | Very high | 90.1 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 138.7 | 178.2 | -65 | 163.1 | 0 | 0 | 0 | 109.8 | Q520 Y521 L523 L531 L542 I543 | Q520-L533 CarbonylContact C-O 3.55Å; Q520-L533 WeakPolarHBondContact CA-O 3.18Å; Y521-L533 HydrophobicContact CD1-CB 4.13Å; Y521-L533 VanDerWaalsContact CD1-O 3.24Å; Y521-L533 WeakPolarHBondContact CD1-O 3.13Å; Y521-L533 HydrophobicContact CD2-CB 4.42Å; Y521-L533 HydrophobicContact CD2-CD1 4.48Å; Y521-L533 HydrophobicContact CE1-CB 3.72Å; Y521-L533 HydrophobicContact CE2-CB 4.02Å; Y521-L533 HydrophobicContact CE2-CD1 3.81Å; Y521-L533 HydrophobicContact CG-CB 4.47Å; Y521-L533 PolarHBondContact N-O 3.04Å; Y521-L533 PolarHBondContact O-N 3.19Å; L523-L533 HydrophobicContact CD1-CD1 4.25Å; L523-L533 HydrophobicContact CG-CD1 4.39Å; L531-L533 HydrophobicContact CD1-CD2 4.2Å; L531-L533 PolarHBondContact O-N 3.25Å; L531-L533 VanDerWaalsContact O-N 3.09Å; L533-L542 HydrophobicContact CD2-CD2 3.74Å; L533-L542 HydrophobicContact CD2-CG 3.81Å; L533-I543 HydrophobicContact CD1-CG1 4.03Å; L533-I543 HydrophobicContact CD2-CG1 4.3Å |
| 534 | P | 91.6 | Very high | 90.1 | Very high | 46 Ų | 46 | 44.8 Ų | 44.8 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 136.8 | -179.1 | 30.8 | -35 | 0 | 0 | 0 | 111.9 | Y521 N537 | Y521-P534 WeakPolarHBondContact CE1-O 3.5Å; P534-N537 WeakPolarHBondContact CG-O 3.34Å |
| 535 | V | 89.3 | Confident | 90 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.03 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -77.8 | -39.4 | 173.4 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | I514 A518 T519 Y521 P538 L568 | I514-V535 HydrophobicContact CG2-CG1 4.46Å; I514-V535 HydrophobicContact CG2-CG2 3.85Å; A518-V535 HydrophobicContact CB-CG2 4.19Å; A518-V535 VanDerWaalsContact O-CB 3.26Å; A518-V535 WeakPolarHBondContact O-CB 3.29Å; A518-V535 VanDerWaalsContact O-CG2 3.27Å; A518-V535 WeakPolarHBondContact O-CG2 3.37Å; T519-V535 PolarHBondContact O-N 3.29Å; Y521-V535 HydrophobicContact CD1-CG2 3.58Å; Y521-V535 HydrophobicContact CE1-CG2 4.27Å; Y521-V535 HydrophobicContact CG-CG2 4.49Å; V535-P538 WeakPolarHBondContact O-CD 3.45Å; V535-L568 HydrophobicContact CG1-CB 4.26Å; V535-L568 HydrophobicContact CG1-CD2 4.3Å |
| 536 | Q | 85.8 | Confident | 90 | Very high | 125.5 Ų | 125.5 | 49.9 Ų | 49.9 | 59% | 0.586 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -76.7 | 45 | -179.2 | -62.3 | -64 | -29.7 | 0 | 0 | 111.1 | T516 | T516-Q536 PolarHBondContact O-NE2 2.94Š|
| 537 | N | 85.7 | Confident | 90.2 | Very high | 139.5 Ų | 139.5 | 48.4 Ų | 48.4 | 75% | 0.746 | 26% | 0.259 | S | S | * | . | S | Bend | trans | 145.1 | 67.1 | -177.3 | -60.5 | -38.2 | 0 | 0 | 0 | 111.9 | P534 N539 | P534-N537 WeakPolarHBondContact CG-O 3.34Å; N537-N539 PolarHBondContact O-N 3.09Å |
| 538 | P | 87.2 | Confident | 90.5 | Very high | 28.5 Ų | 28.5 | 42.3 Ų | 42.3 | 19% | 0.185 | 23% | 0.227 | C | C | . | . | trans | -62.8 | 126.3 | -178.9 | 27.7 | -34.6 | 0 | 0 | 0 | 110.8 | V535 I543 I560 L568 | V535-P538 WeakPolarHBondContact O-CD 3.45Å; P538-I543 HydrophobicContact CB-CD1 4.47Å; P538-I560 HydrophobicContact CB-CD1 4.33Å; P538-I560 HydrophobicContact CG-CD1 3.71Å; P538-I560 HydrophobicContact CG-CG1 4.32Å; P538-L568 HydrophobicContact CB-CD1 4.36Å; P538-L568 HydrophobicContact CB-CD2 3.96Å; P538-L568 HydrophobicContact CG-CD1 3.92Å; P538-L568 HydrophobicContact CG-CD2 4.19Å | ||
| 539 | N | 91.4 | Very high | 90.4 | Very high | 78.5 Ų | 78.5 | 43.4 Ų | 43.4 | 42% | 0.42 | 23% | 0.232 | S | C | . | . | trans | -99.1 | 103.7 | 176.8 | -179.7 | -15.2 | 0 | 0 | 0 | 109.6 | N537 D541 L542 I543 | N537-N539 PolarHBondContact O-N 3.09Å; N539-D541 VanDerWaalsContact C-N 3.31Å; N539-D541 PolarHBondContact O-N 3.07Å; N539-D541 PolarHBondContact OD1-N 3.01Å; N539-L542 HydrophobicContact CB-CB 3.91Å; N539-L542 PolarHBondContact O-N 2.99Å; N539-L542 PolarHBondContact OD1-N 3Å; N539-L542 VanDerWaalsContact OD1-N 3.13Å; N539-I543 WeakPolarHBondContact O-CD1 3.39Å; N539-I543 WeakPolarHBondContact O-CG1 3.25Å; N539-I543 PolarHBondContact O-N 3.21Å | ||
| 540 | V | 91.8 | Very high | 90.1 | Very high | 38.5 Ų | 38.5 | 43.4 Ų | 43.4 | 23% | 0.233 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.7 | -39.8 | -178.9 | 169.2 | 0 | 0 | 0 | 0 | 112.6 | I543 N544 T558 I560 | V540-I543 PolarHBondContact O-N 2.87Å; V540-N544 WeakPolarHBondContact O-CB 3.33Å; V540-N544 PolarHBondContact O-N 2.96Å; V540-N544 PolarHBondContact O-ND2 3.02Å; V540-T558 WeakPolarHBondContact CG1-O 3.36Å; V540-I560 HydrophobicContact CG2-CD1 3.85Å; V540-I560 HydrophobicContact CG2-CG1 3.85Å |
| 541 | D | 91.7 | Very high | 90 | Very high | 121.5 Ų | 121.5 | 43.4 Ų | 43.4 | 65% | 0.65 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66.9 | -41.8 | -179 | -64.3 | -32 | 0 | 0 | 0 | 111 | N539 N544 E545 | N539-D541 VanDerWaalsContact C-N 3.31Å; N539-D541 PolarHBondContact O-N 3.07Å; N539-D541 PolarHBondContact OD1-N 3.01Å; D541-N544 PolarHBondContact O-N 2.89Å; D541-E545 WeakPolarHBondContact O-CB 3.36Å; D541-E545 PolarHBondContact O-N 3.12Å |
| 542 | L | 91.3 | Very high | 89.8 | Confident | 48.5 Ų | 48.5 | 44.7 Ų | 44.7 | 25% | 0.254 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.8 | -41.5 | 175 | -177.4 | 65 | 0 | 0 | 0 | 111.6 | L531 L533 N539 N544 E545 E546 | L531-L542 HydrophobicContact CD1-CD2 4.47Å; L533-L542 HydrophobicContact CD2-CD2 3.74Å; L533-L542 HydrophobicContact CD2-CG 3.81Å; N539-L542 HydrophobicContact CB-CB 3.91Å; N539-L542 PolarHBondContact O-N 2.99Å; N539-L542 PolarHBondContact OD1-N 3Å; N539-L542 VanDerWaalsContact OD1-N 3.13Å; L542-N544 VanDerWaalsContact C-N 3.34Å; L542-N544 PolarHBondContact O-N 2.81Å; L542-E545 PolarHBondContact O-N 2.86Å; L542-E546 HydrophobicContact CD1-CG 4.18Å; L542-E546 HydrophobicContact CG-CG 4.38Å; L542-E546 WeakPolarHBondContact O-CB 3.26Å; L542-E546 VanDerWaalsContact O-CG 3.23Å; L542-E546 WeakPolarHBondContact O-CG 3.13Å; L542-E546 PolarHBondContact O-N 2.88Å |
| 543 | I | 92.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.7 | -46.4 | 175.4 | -63.4 | 159.3 | 0 | 0 | 0 | 109.9 | Y521 L523 L533 P538 N539 V540 E546 I547 T558 L570 | Y521-I543 VanDerWaalsContact OH-CD1 3.23Å; Y521-I543 WeakPolarHBondContact OH-CD1 3.32Å; L523-I543 HydrophobicContact CD1-CG2 3.99Å; L533-I543 HydrophobicContact CD1-CG1 4.03Å; L533-I543 HydrophobicContact CD2-CG1 4.3Å; P538-I543 HydrophobicContact CB-CD1 4.47Å; N539-I543 WeakPolarHBondContact O-CD1 3.39Å; N539-I543 WeakPolarHBondContact O-CG1 3.25Å; N539-I543 PolarHBondContact O-N 3.21Å; V540-I543 PolarHBondContact O-N 2.87Å; I543-E546 PolarHBondContact O-N 3.16Å; I543-I547 HydrophobicContact CG2-CD1 3.66Å; I543-I547 HydrophobicContact CG2-CG1 4.35Å; I543-I547 VanDerWaalsContact O-CG1 3.27Å; I543-I547 WeakPolarHBondContact O-CG1 3.37Å; I543-I547 PolarHBondContact O-N 3.26Å; I543-T558 HydrophobicContact CD1-CG2 4.47Å; I543-T558 HydrophobicContact CG2-CG2 4.04Å; I543-T558 WeakPolarHBondContact CG2-OG1 3.33Å; I543-L570 HydrophobicContact CD1-CD1 4.14Å |
| 544 | N | 94.2 | Very high | 89.3 | Confident | 28.5 Ų | 28.5 | 46.4 Ų | 46.4 | 15% | 0.152 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 178.3 | -69.1 | -24.1 | 0 | 0 | 0 | 111.6 | V540 D541 L542 S548 V556 T558 | V540-N544 WeakPolarHBondContact O-CB 3.33Å; V540-N544 PolarHBondContact O-N 2.96Å; V540-N544 PolarHBondContact O-ND2 3.02Å; D541-N544 PolarHBondContact O-N 2.89Å; L542-N544 VanDerWaalsContact C-N 3.34Å; L542-N544 PolarHBondContact O-N 2.81Å; N544-S548 WeakPolarHBondContact O-CB 3.06Å; N544-S548 PolarHBondContact O-N 2.96Å; N544-S548 PolarHBondContact O-OG 3.26Å; N544-V556 VanDerWaalsContact CG-O 3.27Å; N544-V556 PolarHBondContact OD1-O 3.04Å; N544-T558 WeakPolarHBondContact OD1-CB 3.42Å; N544-T558 PolarHBondContact OD1-N 3.36Å; N544-T558 PolarHBondContact OD1-OG1 3.13Å |
| 545 | E | 91.1 | Very high | 89.2 | Confident | 110.5 Ų | 110.5 | 49.2 Ų | 49.2 | 52% | 0.516 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.4 | -51.1 | 177.7 | -174.5 | -173.1 | 160.1 | 0 | 0 | 111.1 | D541 L542 I547 S548 E549 K649 | D541-E545 WeakPolarHBondContact O-CB 3.36Å; D541-E545 PolarHBondContact O-N 3.12Å; L542-E545 PolarHBondContact O-N 2.86Å; E545-I547 PolarHBondContact O-N 2.89Å; E545-S548 PolarHBondContact O-N 2.86Å; E545-E549 PolarHBondContact O-N 3.27Å; E545-K649 IonicContact OE1-NZ 3.26Å; E545-K649 PolarHBondContact OE1-NZ 3.24Å |
| 546 | E | 90.7 | Very high | 89.4 | Confident | 4.5 Ų | 4.5 | 49 Ų | 49 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | -176.3 | -72.6 | -70.7 | 127.5 | 0 | 0 | 112.8 | T530 L531 L542 I543 E549 K649 | T530-E546 HydrophobicContact CG2-CB 3.63Å; L531-E546 HydrophobicContact CD2-CG 4.11Å; L531-E546 WeakPolarHBondContact CD2-OE1 3.45Å; L531-E546 WeakPolarHBondContact CD2-OE2 3.44Å; L531-E546 HydrophobicContact CG-CG 4.1Å; L531-E546 WeakPolarHBondContact CG-OE2 3.36Å; L531-E546 PolarHBondContact N-OE2 3.04Å; L531-E546 VanDerWaalsContact N-OE2 3.08Å; L542-E546 HydrophobicContact CD1-CG 4.18Å; L542-E546 HydrophobicContact CG-CG 4.38Å; L542-E546 WeakPolarHBondContact O-CB 3.26Å; L542-E546 VanDerWaalsContact O-CG 3.23Å; L542-E546 WeakPolarHBondContact O-CG 3.13Å; L542-E546 PolarHBondContact O-N 2.88Å; I543-E546 PolarHBondContact O-N 3.16Å; E546-E549 WeakPolarHBondContact O-CB 3.44Å; E546-K649 IonicContact OE1-NZ 3Å; E546-K649 PolarHBondContact OE1-NZ 2.98Å |
| 547 | I | 91.7 | Very high | 89.8 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.1 | -39.3 | 177.2 | -54.8 | 170 | 0 | 0 | 0 | 110.5 | L523 T530 I543 E545 E549 K550 L551 V556 I572 F574 | L523-I547 HydrophobicContact CD1-CD1 3.58Å; L523-I547 HydrophobicContact CD1-CG1 4.08Å; T530-I547 HydrophobicContact CG2-CG1 4.3Å; I543-I547 HydrophobicContact CG2-CD1 3.66Å; I543-I547 HydrophobicContact CG2-CG1 4.35Å; I543-I547 VanDerWaalsContact O-CG1 3.27Å; I543-I547 WeakPolarHBondContact O-CG1 3.37Å; I543-I547 PolarHBondContact O-N 3.26Å; E545-I547 PolarHBondContact O-N 2.89Å; I547-E549 PolarHBondContact O-N 2.9Å; I547-K550 WeakPolarHBondContact O-CA 3.23Å; I547-K550 WeakPolarHBondContact O-CB 3.34Å; I547-K550 PolarHBondContact O-N 3.21Å; I547-L551 HydrophobicContact CG2-CD1 4.09Å; I547-L551 PolarHBondContact O-N 3.06Å; I547-V556 HydrophobicContact CB-CB 4.43Å; I547-V556 HydrophobicContact CB-CG1 4.34Å; I547-V556 HydrophobicContact CB-CG2 4.15Å; I547-V556 HydrophobicContact CD1-CG1 4.34Å; I547-V556 HydrophobicContact CG2-CB 4.45Å; I547-V556 HydrophobicContact CG2-CG1 4.24Å; I547-V556 HydrophobicContact CG2-CG2 3.77Å; I547-I572 HydrophobicContact CD1-CD1 3.9Å; I547-I572 HydrophobicContact CD1-CG2 4.09Å; I547-F574 HydrophobicContact CG2-CE1 4.09Å |
| 548 | S | 91.5 | Very high | 90.2 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.4 | -34.8 | 177.6 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | N544 E545 K550 L551 N552 G553 S554 V556 | N544-S548 WeakPolarHBondContact O-CB 3.06Å; N544-S548 PolarHBondContact O-N 2.96Å; N544-S548 PolarHBondContact O-OG 3.26Å; E545-S548 PolarHBondContact O-N 2.86Å; S548-K550 VanDerWaalsContact C-N 3.32Å; S548-K550 PolarHBondContact O-N 2.99Å; S548-L551 CarbonylContact O-C 3.53Å; S548-L551 WeakPolarHBondContact O-CA 3.41Å; S548-L551 PolarHBondContact O-N 2.9Å; S548-N552 PolarHBondContact O-N 3.08Å; S548-G553 VanDerWaalsContact O-CA 3.32Å; S548-G553 WeakPolarHBondContact O-CA 3.4Å; S548-G553 PolarHBondContact O-N 2.88Å; S548-S554 WeakPolarHBondContact CA-O 3.22Å; S548-S554 VanDerWaalsContact CB-O 3.23Å; S548-S554 WeakPolarHBondContact CB-O 3.36Å; S548-S554 PolarHBondContact OG-O 2.91Å; S548-V556 PolarHBondContact OG-N 3.22Å |
| 549 | E | 88.1 | Confident | 90.5 | Very high | 22.5 Ų | 22.5 | 48.3 Ų | 48.3 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.9 | -41.4 | 172.3 | -151.1 | -176 | -162.2 | 0 | 0 | 111.2 | E545 E546 I547 L551 N552 W645 P647 S648 | E545-E549 PolarHBondContact O-N 3.27Å; E546-E549 WeakPolarHBondContact O-CB 3.44Å; I547-E549 PolarHBondContact O-N 2.9Å; E549-L551 PolarHBondContact O-N 2.47Å; E549-N552 PolarHBondContact O-N 2.84Å; E549-W645 HydrophobicContact CB-CH2 3.76Å; E549-W645 HydrophobicContact CB-CZ2 4.43Å; E549-W645 HydrophobicContact CG-CH2 3.59Å; E549-W645 HydrophobicContact CG-CZ2 4.05Å; E549-W645 WeakPolarHBondContact O-CH2 3.34Å; E549-W645 WeakPolarHBondContact O-CZ2 3.37Å; E549-W645 PolarHBondContact O-NE1 3.28Å; E549-P647 HydrophobicContact CG-CB 4.4Å; E549-P647 WeakPolarHBondContact OE1-CA 3.4Å; E549-P647 WeakPolarHBondContact OE1-CB 3.5Å; E549-S648 WeakPolarHBondContact OE1-CB 3.45Å; E549-S648 PolarHBondContact OE1-N 3.07Å; E549-S648 PolarHBondContact OE1-OG 2.95Å |
| 550 | K | 87.3 | Confident | 90.4 | Very high | 6.5 Ų | 6.5 | 47.6 Ų | 47.6 | 3% | 0.028 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.7 | -13 | 176.2 | -51.3 | -44.4 | -172.6 | 179.6 | 0 | 113.6 | S528 C529 I547 S548 Y620 W645 W813 | S528-K550 WeakPolarHBondContact OG-CD 3.36Å; S528-K550 VanDerWaalsContact OG-CE 3.31Å; S528-K550 WeakPolarHBondContact OG-CE 3.21Å; S528-K550 PolarHBondContact OG-NZ 3.11Å; C529-K550 VanDerWaalsContact C-CE 3.49Å; C529-K550 WeakPolarHBondContact O-CE 3.12Å; C529-K550 PolarHBondContact O-NZ 2.84Å; I547-K550 WeakPolarHBondContact O-CA 3.23Å; I547-K550 WeakPolarHBondContact O-CB 3.34Å; I547-K550 PolarHBondContact O-N 3.21Å; S548-K550 VanDerWaalsContact C-N 3.32Å; S548-K550 PolarHBondContact O-N 2.99Å; K550-Y620 PolarHBondContact O-OH 2.92Å; K550-W645 HydrophobicContact CD-CZ3 3.91Å; K550-W813 PolarHBondContact NZ-O 2.83Å |
| 551 | L | 88.4 | Confident | 90.2 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 27.5 | 179.4 | -63.3 | 167.9 | 0 | 0 | 0 | 112.8 | L525 I547 S548 E549 G553 S554 V556 F574 P575 F578 Y620 | L525-L551 HydrophobicContact CD2-CD2 3.9Å; L525-L551 HydrophobicContact CD2-CG 4.33Å; I547-L551 HydrophobicContact CG2-CD1 4.09Å; I547-L551 PolarHBondContact O-N 3.06Å; S548-L551 CarbonylContact O-C 3.53Å; S548-L551 WeakPolarHBondContact O-CA 3.41Å; S548-L551 PolarHBondContact O-N 2.9Å; E549-L551 PolarHBondContact O-N 2.47Å; L551-G553 VanDerWaalsContact C-N 3.32Å; L551-G553 PolarHBondContact O-N 3.03Å; L551-S554 VanDerWaalsContact O-CB 3.3Å; L551-S554 WeakPolarHBondContact O-CB 3.32Å; L551-S554 PolarHBondContact O-N 3.07Å; L551-S554 VanDerWaalsContact O-N 3.09Å; L551-S554 PolarHBondContact O-OG 2.93Å; L551-V556 HydrophobicContact CD1-CG2 3.43Å; L551-F574 HydrophobicContact CD1-CD1 3.84Å; L551-F574 HydrophobicContact CD1-CE1 4.35Å; L551-P575 HydrophobicContact CD1-CG 4.16Å; L551-F578 HydrophobicContact CB-CE1 4.29Å; L551-F578 HydrophobicContact CB-CE2 4.37Å; L551-F578 HydrophobicContact CB-CZ 4.01Å; L551-F578 HydrophobicContact CD2-CD1 3.74Å; L551-F578 HydrophobicContact CD2-CE1 3.83Å; L551-F578 HydrophobicContact CD2-CE2 4.29Å; L551-F578 HydrophobicContact CD2-CG 4.35Å; L551-F578 HydrophobicContact CD2-CZ 3.99Å; L551-F578 HydrophobicContact CG-CE1 4.4Å; L551-F578 HydrophobicContact CG-CZ 4.3Å; L551-Y620 VanDerWaalsContact CA-OH 3.3Å; L551-Y620 WeakPolarHBondContact CA-OH 3.14Å; L551-Y620 HydrophobicContact CD2-CE1 3.94Å; L551-Y620 VanDerWaalsContact CD2-OH 3.24Å; L551-Y620 WeakPolarHBondContact CD2-OH 3.4Å |
| 552 | N | 82.5 | Confident | 89.6 | Confident | 74.5 Ų | 74.5 | 48.2 Ų | 48.2 | 40% | 0.398 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 39.1 | -179.4 | -169.1 | 33.8 | 0 | 0 | 0 | 113.1 | S548 E549 S554 Y622 W645 | S548-N552 PolarHBondContact O-N 3.08Å; E549-N552 PolarHBondContact O-N 2.84Å; N552-S554 VanDerWaalsContact C-N 3.28Å; N552-S554 PolarHBondContact O-N 2.44Å; N552-Y622 PolarHBondContact ND2-O 2.96Å; N552-Y622 VanDerWaalsContact ND2-O 3.16Å; N552-W645 HydrophobicContact CB-CH2 4.12Å; N552-W645 HydrophobicContact CB-CZ2 4.1Å; N552-W645 WeakPolarHBondContact OD1-CH2 3.35Å; N552-W645 WeakPolarHBondContact OD1-CZ2 3.23Å; N552-W645 PolarHBondContact OD1-NE1 2.84Å |
| 553 | G | 83 | Confident | 89 | Confident | 54 Ų | 54 | 50.4 Ų | 50.4 | 56% | 0.557 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 1.4 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | S548 L551 T555 | S548-G553 VanDerWaalsContact O-CA 3.32Å; S548-G553 WeakPolarHBondContact O-CA 3.4Å; S548-G553 PolarHBondContact O-N 2.88Å; L551-G553 VanDerWaalsContact C-N 3.32Å; L551-G553 PolarHBondContact O-N 3.03Å; G553-T555 PolarHBondContact O-N 3.09Å |
| 554 | S | 88.8 | Confident | 88.3 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -64 | 130.2 | 174.6 | -63.9 | 0 | 0 | 0 | 0 | 110.2 | S548 L551 N552 V556 E577 F578 | S548-S554 WeakPolarHBondContact CA-O 3.22Å; S548-S554 VanDerWaalsContact CB-O 3.23Å; S548-S554 WeakPolarHBondContact CB-O 3.36Å; S548-S554 PolarHBondContact OG-O 2.91Å; L551-S554 VanDerWaalsContact O-CB 3.3Å; L551-S554 WeakPolarHBondContact O-CB 3.32Å; L551-S554 PolarHBondContact O-N 3.07Å; L551-S554 VanDerWaalsContact O-N 3.09Å; L551-S554 PolarHBondContact O-OG 2.93Å; N552-S554 VanDerWaalsContact C-N 3.28Å; N552-S554 PolarHBondContact O-N 2.44Å; S554-V556 PolarHBondContact O-N 3.15Å; S554-E577 WeakPolarHBondContact CB-OE1 2.92Å; S554-E577 PolarHBondContact OG-OE1 3.19Å; S554-F578 WeakPolarHBondContact OG-CE2 3.35Å |
| 555 | T | 90.2 | Very high | 87.4 | Confident | 104 Ų | 104 | 58.1 Ų | 58.1 | 64% | 0.638 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -70.8 | 116.5 | -167.4 | -51 | 0 | 0 | 0 | 0 | 113 | G553 | G553-T555 PolarHBondContact O-N 3.09Š|
| 556 | V | 92.8 | Very high | 87.1 | Confident | 1.5 Ų | 1.5 | 58 Ų | 58 | 1% | 0.009 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -90.1 | 145.1 | 169.2 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | N544 I547 S548 L551 S554 I572 | N544-V556 VanDerWaalsContact CG-O 3.27Å; N544-V556 PolarHBondContact OD1-O 3.04Å; I547-V556 HydrophobicContact CB-CB 4.43Å; I547-V556 HydrophobicContact CB-CG1 4.34Å; I547-V556 HydrophobicContact CB-CG2 4.15Å; I547-V556 HydrophobicContact CD1-CG1 4.34Å; I547-V556 HydrophobicContact CG2-CB 4.45Å; I547-V556 HydrophobicContact CG2-CG1 4.24Å; I547-V556 HydrophobicContact CG2-CG2 3.77Å; S548-V556 PolarHBondContact OG-N 3.22Å; L551-V556 HydrophobicContact CD1-CG2 3.43Å; S554-V556 PolarHBondContact O-N 3.15Å; V556-I572 HydrophobicContact CG1-CG2 3.51Å |
| 557 | K | 94 | Very high | 87 | Confident | 144.5 Ų | 144.5 | 60.9 Ų | 60.9 | 63% | 0.628 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 115.5 | 173.9 | -64.5 | 178.5 | -177.6 | 175.1 | 0 | 110.2 | T573 | K557-T573 PolarHBondContact N-O 2.99Å; K557-T573 PolarHBondContact O-N 3.07Å |
| 558 | T | 94.5 | Very high | 86.9 | Confident | 13 Ų | 13 | 60.7 Ų | 60.7 | 8% | 0.08 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 138.8 | 175.8 | -54.1 | 0 | 0 | 0 | 0 | 110.5 | V540 I543 N544 L570 E571 I572 | V540-T558 WeakPolarHBondContact CG1-O 3.36Å; I543-T558 HydrophobicContact CD1-CG2 4.47Å; I543-T558 HydrophobicContact CG2-CG2 4.04Å; I543-T558 WeakPolarHBondContact CG2-OG1 3.33Å; N544-T558 WeakPolarHBondContact OD1-CB 3.42Å; N544-T558 PolarHBondContact OD1-N 3.36Å; N544-T558 PolarHBondContact OD1-OG1 3.13Å; T558-L570 HydrophobicContact CG2-CB 4.25Å; T558-L570 HydrophobicContact CG2-CD2 4.39Å; T558-E571 CarbonylContact C-O 3.52Å; T558-E571 WeakPolarHBondContact CA-O 3.36Å; T558-I572 HydrophobicContact CG2-CG1 4Å |
| 559 | K | 92.8 | Very high | 87 | Confident | 122 Ų | 122 | 61.5 Ų | 61.5 | 53% | 0.53 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131.8 | 174.4 | 178.3 | -174.6 | 171.1 | -164.6 | 0 | 109.1 | V561 L570 E571 | K559-V561 PolarHBondContact O-N 3.04Å; K559-L570 CarbonylContact O-C 3.35Å; K559-L570 WeakPolarHBondContact O-CA 3.37Å; K559-E571 HydrophobicContact CB-CB 4.48Å; K559-E571 PolarHBondContact N-O 3.2Å; K559-E571 PolarHBondContact O-N 2.86Å |
| 560 | I | 90 | Very high | 87.2 | Confident | 63 Ų | 63 | 60.5 Ų | 60.5 | 32% | 0.323 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 111.1 | 168.9 | -59.1 | 165.5 | 0 | 0 | 0 | 106.9 | P538 V540 L568 L570 | P538-I560 HydrophobicContact CB-CD1 4.33Å; P538-I560 HydrophobicContact CG-CD1 3.71Å; P538-I560 HydrophobicContact CG-CG1 4.32Å; V540-I560 HydrophobicContact CG2-CD1 3.85Å; V540-I560 HydrophobicContact CG2-CG1 3.85Å; I560-L568 HydrophobicContact CG2-CD1 4.15Å; I560-L570 HydrophobicContact CB-CD2 4.42Å; I560-L570 HydrophobicContact CG1-CD2 3.79Å |
| 561 | V | 86.6 | Confident | 87.6 | Confident | 69.5 Ų | 69.5 | 62.4 Ų | 62.4 | 42% | 0.421 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | -45.8 | -179.7 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | K559 I569 E571 | K559-V561 PolarHBondContact O-N 3.04Å; V561-I569 HydrophobicContact CB-CB 4.33Å; V561-I569 HydrophobicContact CB-CG2 3.96Å; V561-I569 HydrophobicContact CG1-CG2 4.44Å; V561-I569 HydrophobicContact CG2-CG2 4.36Å; V561-I569 PolarHBondContact N-O 2.98Å; V561-E571 HydrophobicContact CG2-CB 3.34Å; V561-E571 HydrophobicContact CG2-CG 4.5Å |
| 562 | Q | 80.6 | Confident | 87.9 | Confident | 104 Ų | 104 | 62.4 Ų | 62.4 | 49% | 0.486 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 143.2 | -178.4 | -162.2 | 176 | 7.4 | 0 | 0 | 110.6 | T564 I569 | Q562-T564 VanDerWaalsContact CD-CG2 3.43Å; Q562-T564 HydrophobicContact CG-CG2 3.72Å; Q562-T564 VanDerWaalsContact NE2-CG2 3.32Å; Q562-I569 HydrophobicContact CB-CB 4.41Å; Q562-I569 HydrophobicContact CB-CD1 4.37Å; Q562-I569 PolarHBondContact N-O 2.9Å; Q562-I569 PolarHBondContact O-N 2.86Å |
| 563 | T | 77.5 | Confident | 88.6 | Confident | 94 Ų | 94 | 60.7 Ų | 60.7 | 58% | 0.577 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 101 | 164.8 | -45 | 0 | 0 | 0 | 0 | 106.8 | L568 | T563-L568 HydrophobicContact CG2-CD1 4.5Å |
| 564 | T | 78.2 | Confident | 89.1 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 25% | 0.245 | 30% | 0.304 | C | S | . | . | trans | -91.8 | 172.4 | 173.1 | 62 | 0 | 0 | 0 | 0 | 109.9 | T516 Q562 D566 Y567 | T516-T564 WeakPolarHBondContact CG2-O 3.23Å; Q562-T564 VanDerWaalsContact CD-CG2 3.43Å; Q562-T564 HydrophobicContact CG-CG2 3.72Å; Q562-T564 VanDerWaalsContact NE2-CG2 3.32Å; T564-D566 PolarHBondContact O-N 2.93Å; T564-D566 PolarHBondContact OG1-N 2.7Å; T564-Y567 PolarHBondContact N-O 3.14Å; T564-Y567 PolarHBondContact OG1-N 3.31Å; T564-Y567 PolarHBondContact OG1-O 3.36Å | ||
| 565 | N | 75.3 | Confident | 89.2 | Confident | 152 Ų | 152 | 57.7 Ų | 57.7 | 81% | 0.813 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -62.7 | -23.5 | 171.4 | -70.8 | -13 | 0 | 0 | 0 | 112.4 | T516 | T516-N565 PolarHBondContact OG1-O 3.04Š|
| 566 | D | 83.6 | Confident | 89.1 | Confident | 107 Ų | 107 | 57.7 Ų | 57.7 | 57% | 0.572 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -105.4 | -32.9 | -172.2 | -57.8 | -37.7 | 0 | 0 | 0 | 113.3 | P515 T516 T564 | P515-D566 CarbonylContact C-O 3.58Å; P515-D566 VanDerWaalsContact CA-O 3.32Å; P515-D566 WeakPolarHBondContact CA-O 3.42Å; T516-D566 PolarHBondContact N-O 2.33Å; T516-D566 VanDerWaalsContact OG1-C 3.3Å; T516-D566 WeakPolarHBondContact OG1-CA 3.33Å; T516-D566 PolarHBondContact OG1-O 3.34Å; T564-D566 PolarHBondContact O-N 2.93Å; T564-D566 PolarHBondContact OG1-N 2.7Å |
| 567 | Y | 88.7 | Confident | 88.8 | Confident | 65 Ų | 65 | 61.4 Ų | 61.4 | 26% | 0.255 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 138.7 | -175.8 | -65.1 | -88 | 0 | 0 | 0 | 113.6 | I514 P515 T564 N594 | I514-Y567 CarbonylContact O-C 3.53Å; I514-Y567 VanDerWaalsContact O-CA 3.25Å; I514-Y567 WeakPolarHBondContact O-CA 3.31Å; P515-Y567 HydrophobicContact CB-CD1 4.47Å; P515-Y567 HydrophobicContact CB-CE1 4.34Å; P515-Y567 HydrophobicContact CG-CD1 4.35Å; P515-Y567 HydrophobicContact CG-CE1 3.96Å; T564-Y567 PolarHBondContact N-O 3.14Å; T564-Y567 PolarHBondContact OG1-N 3.31Å; T564-Y567 PolarHBondContact OG1-O 3.36Å; Y567-N594 HydrophobicContact CE1-CB 4.42Å; Y567-N594 WeakPolarHBondContact OH-CB 3.48Å; Y567-N594 PolarHBondContact OH-ND2 3.24Å |
| 568 | L | 91 | Very high | 88.5 | Confident | 0.5 Ų | 0.5 | 54.6 Ų | 54.6 | 0% | 0.003 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 120.8 | 157.6 | 170.5 | 64.6 | 0 | 0 | 0 | 108.6 | I514 Y521 V535 P538 I560 T563 L570 | I514-L568 HydrophobicContact CB-CB 4.4Å; I514-L568 HydrophobicContact CD1-CD2 4.18Å; I514-L568 HydrophobicContact CD1-CG 4.49Å; I514-L568 PolarHBondContact N-O 2.88Å; I514-L568 PolarHBondContact O-N 2.87Å; Y521-L568 HydrophobicContact CE1-CD2 4.28Å; V535-L568 HydrophobicContact CG1-CB 4.26Å; V535-L568 HydrophobicContact CG1-CD2 4.3Å; P538-L568 HydrophobicContact CB-CD1 4.36Å; P538-L568 HydrophobicContact CB-CD2 3.96Å; P538-L568 HydrophobicContact CG-CD1 3.92Å; P538-L568 HydrophobicContact CG-CD2 4.19Å; I560-L568 HydrophobicContact CG2-CD1 4.15Å; T563-L568 HydrophobicContact CG2-CD1 4.5Å; L568-L570 HydrophobicContact CD1-CD2 3.96Å; L568-L570 HydrophobicContact CD2-CD1 4.5Å; L568-L570 HydrophobicContact CD2-CD2 4.37Å; L568-L570 HydrophobicContact CD2-CG 4.48Å; L568-L570 HydrophobicContact CG-CD2 4.12Å; L568-L570 HydrophobicContact CG-CG 4.23Å |
| 569 | I | 92.1 | Very high | 88.2 | Confident | 30.5 Ų | 30.5 | 54 Ų | 54 | 16% | 0.156 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 119.6 | 179.9 | -53.8 | -179.7 | 0 | 0 | 0 | 109.6 | T511 V512 V561 Q562 | T511-I569 HydrophobicContact CG2-CG2 3.48Å; T511-I569 VanDerWaalsContact CG2-CG2 3.48Å; V512-I569 CarbonylContact O-C 3.59Å; V512-I569 VanDerWaalsContact O-CA 3.31Å; V512-I569 WeakPolarHBondContact O-CA 3.46Å; V561-I569 HydrophobicContact CB-CB 4.33Å; V561-I569 HydrophobicContact CB-CG2 3.96Å; V561-I569 HydrophobicContact CG1-CG2 4.44Å; V561-I569 HydrophobicContact CG2-CG2 4.36Å; V561-I569 PolarHBondContact N-O 2.98Å; Q562-I569 HydrophobicContact CB-CB 4.41Å; Q562-I569 HydrophobicContact CB-CD1 4.37Å; Q562-I569 PolarHBondContact N-O 2.9Å; Q562-I569 PolarHBondContact O-N 2.86Å |
| 570 | L | 93.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 138.3 | 178 | -54.8 | 175.8 | 0 | 0 | 0 | 109.8 | T511 V512 I514 Y521 I543 T558 K559 I560 L568 I572 | T511-L570 CarbonylContact C-O 3.53Å; T511-L570 VanDerWaalsContact CA-O 3.29Å; T511-L570 WeakPolarHBondContact CA-O 3.42Å; V512-L570 HydrophobicContact CB-CB 4.37Å; V512-L570 PolarHBondContact N-O 3.02Å; V512-L570 PolarHBondContact O-N 2.93Å; I514-L570 HydrophobicContact CD1-CD1 3.99Å; Y521-L570 HydrophobicContact CE2-CD1 4.26Å; Y521-L570 WeakPolarHBondContact OH-CD1 3.4Å; I543-L570 HydrophobicContact CD1-CD1 4.14Å; T558-L570 HydrophobicContact CG2-CB 4.25Å; T558-L570 HydrophobicContact CG2-CD2 4.39Å; K559-L570 CarbonylContact O-C 3.35Å; K559-L570 WeakPolarHBondContact O-CA 3.37Å; I560-L570 HydrophobicContact CB-CD2 4.42Å; I560-L570 HydrophobicContact CG1-CD2 3.79Å; L568-L570 HydrophobicContact CD1-CD2 3.96Å; L568-L570 HydrophobicContact CD2-CD1 4.5Å; L568-L570 HydrophobicContact CD2-CD2 4.37Å; L568-L570 HydrophobicContact CD2-CG 4.48Å; L568-L570 HydrophobicContact CG-CD2 4.12Å; L568-L570 HydrophobicContact CG-CG 4.23Å; L570-I572 HydrophobicContact CB-CG1 4.48Å |
| 571 | E | 95.2 | Very high | 88.1 | Confident | 47.5 Ų | 47.5 | 46.8 Ų | 46.8 | 22% | 0.222 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 118.8 | 168.6 | 177 | 179.7 | 84.3 | 0 | 0 | 107.8 | I509 Q510 T558 K559 V561 | I509-E571 HydrophobicContact CG2-CG 3.45Å; I509-E571 VanDerWaalsContact CG2-CG 3.45Å; Q510-E571 CarbonylContact O-C 3.5Å; Q510-E571 WeakPolarHBondContact O-CA 3.36Å; T558-E571 CarbonylContact C-O 3.52Å; T558-E571 WeakPolarHBondContact CA-O 3.36Å; K559-E571 HydrophobicContact CB-CB 4.48Å; K559-E571 PolarHBondContact N-O 3.2Å; K559-E571 PolarHBondContact O-N 2.86Å; V561-E571 HydrophobicContact CG2-CB 3.34Å; V561-E571 HydrophobicContact CG2-CG 4.5Å |
| 572 | I | 95.5 | Very high | 88.2 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 113.2 | -174.6 | -59.8 | 171.8 | 0 | 0 | 0 | 107.5 | I509 Q510 V512 L523 I547 V556 T558 L570 F574 L584 | I509-I572 WeakPolarHBondContact CA-O 3.31Å; Q510-I572 PolarHBondContact N-O 3.06Å; Q510-I572 PolarHBondContact O-N 2.78Å; V512-I572 HydrophobicContact CG2-CD1 3.9Å; L523-I572 HydrophobicContact CD1-CD1 4Å; I547-I572 HydrophobicContact CD1-CD1 3.9Å; I547-I572 HydrophobicContact CD1-CG2 4.09Å; V556-I572 HydrophobicContact CG1-CG2 3.51Å; T558-I572 HydrophobicContact CG2-CG1 4Å; L570-I572 HydrophobicContact CB-CG1 4.48Å; I572-F574 HydrophobicContact CB-CE2 4.38Å; I572-F574 HydrophobicContact CG2-CD2 4.29Å; I572-F574 HydrophobicContact CG2-CE1 4.37Å; I572-F574 HydrophobicContact CG2-CE2 3.88Å; I572-F574 HydrophobicContact CG2-CZ 3.93Å; I572-L584 HydrophobicContact CD1-CD1 3.53Å; I572-L584 VanDerWaalsContact CD1-CD1 3.49Å |
| 573 | T | 95.6 | Very high | 88.8 | Confident | 39.5 Ų | 39.5 | 46.1 Ų | 46.1 | 24% | 0.242 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 118.3 | 173.1 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | A507 E508 I509 K557 | A507-T573 HydrophobicContact CB-CG2 4.1Å; E508-T573 WeakPolarHBondContact O-CA 3.38Å; I509-T573 HydrophobicContact CG1-CG2 4.11Å; K557-T573 PolarHBondContact N-O 2.99Å; K557-T573 PolarHBondContact O-N 3.07Å |
| 574 | F | 94.5 | Very high | 89.6 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -86.3 | 160.5 | 178.3 | -68.3 | -89.7 | 0 | 0 | 0 | 111.9 | A507 E508 Q510 L525 I547 L551 I572 Q576 I581 L584 | A507-F574 WeakPolarHBondContact CB-O 3.41Å; E508-F574 HydrophobicContact CB-CB 4.1Å; E508-F574 HydrophobicContact CB-CD2 4.18Å; E508-F574 HydrophobicContact CG-CB 4.48Å; E508-F574 HydrophobicContact CG-CD2 3.69Å; E508-F574 HydrophobicContact CG-CE2 4.32Å; E508-F574 HydrophobicContact CG-CG 4.39Å; E508-F574 PolarHBondContact O-N 2.77Å; Q510-F574 HydrophobicContact CB-CE2 4.14Å; Q510-F574 HydrophobicContact CG-CE2 3.9Å; L525-F574 HydrophobicContact CD2-CE1 4.21Å; I547-F574 HydrophobicContact CG2-CE1 4.09Å; L551-F574 HydrophobicContact CD1-CD1 3.84Å; L551-F574 HydrophobicContact CD1-CE1 4.35Å; I572-F574 HydrophobicContact CB-CE2 4.38Å; I572-F574 HydrophobicContact CG2-CD2 4.29Å; I572-F574 HydrophobicContact CG2-CE1 4.37Å; I572-F574 HydrophobicContact CG2-CE2 3.88Å; I572-F574 HydrophobicContact CG2-CZ 3.93Å; F574-Q576 PolarHBondContact O-N 2.97Å; F574-I581 HydrophobicContact CB-CD1 3.52Å; F574-I581 HydrophobicContact CD1-CD1 3.65Å; F574-I581 HydrophobicContact CD2-CD1 4.43Å; F574-I581 HydrophobicContact CE1-CD1 4.46Å; F574-I581 HydrophobicContact CG-CD1 3.63Å; F574-L584 HydrophobicContact CZ-CD1 3.89Å; F574-L584 HydrophobicContact CZ-CD2 4.11Å; F574-L584 HydrophobicContact CZ-CG 3.93Å |
| 575 | P | 90.7 | Very high | 90.3 | Very high | 10.5 Ų | 10.5 | 44.4 Ų | 44.4 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 132.8 | 179.1 | -11.7 | 24.8 | 0 | 0 | 0 | 111.4 | L551 E577 F578 | L551-P575 HydrophobicContact CD1-CG 4.16Å; P575-E577 HydrophobicContact CB-CG 4.43Å; P575-E577 VanDerWaalsContact CB-OE1 3.25Å; P575-E577 WeakPolarHBondContact CB-OE1 3.06Å; P575-E577 WeakPolarHBondContact CB-OE2 3.29Å; P575-E577 PolarHBondContact O-N 2.94Å; P575-E577 VanDerWaalsContact O-N 3.1Å; P575-F578 HydrophobicContact CB-CD2 3.76Å; P575-F578 HydrophobicContact CB-CE2 3.88Å; P575-F578 HydrophobicContact CG-CD2 3.95Å; P575-F578 HydrophobicContact CG-CE2 3.84Å; P575-F578 PolarHBondContact O-N 2.92Å; P575-F578 VanDerWaalsContact O-N 3.14Å |
| 576 | Q | 89 | Confident | 91 | Very high | 105.5 Ų | 105.5 | 38 Ų | 38 | 49% | 0.493 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -60.3 | -25.1 | -172.6 | 68 | -175.8 | -0.5 | 0 | 0 | 114 | P505 A507 F574 F578 G579 | P505-Q576 HydrophobicContact CB-CB 4.04Å; P505-Q576 HydrophobicContact CB-CG 4.23Å; P505-Q576 WeakPolarHBondContact CB-O 3.45Å; P505-Q576 HydrophobicContact CG-CB 4.09Å; P505-Q576 HydrophobicContact CG-CG 3.78Å; A507-Q576 HydrophobicContact CB-CB 4.09Å; F574-Q576 PolarHBondContact O-N 2.97Å; Q576-F578 PolarHBondContact O-N 3.29Å; Q576-G579 PolarHBondContact O-N 2.9Å |
| 577 | E | 84.6 | Confident | 91.3 | Very high | 79 Ų | 79 | 36.4 Ų | 36.4 | 37% | 0.369 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -70 | -8.9 | -179.9 | 67.7 | -86.9 | -161.5 | 0 | 0 | 114.3 | S554 P575 R613 | S554-E577 WeakPolarHBondContact CB-OE1 2.92Å; S554-E577 PolarHBondContact OG-OE1 3.19Å; P575-E577 HydrophobicContact CB-CG 4.43Å; P575-E577 VanDerWaalsContact CB-OE1 3.25Å; P575-E577 WeakPolarHBondContact CB-OE1 3.06Å; P575-E577 WeakPolarHBondContact CB-OE2 3.29Å; P575-E577 PolarHBondContact O-N 2.94Å; P575-E577 VanDerWaalsContact O-N 3.1Å; E577-R613 VanDerWaalsContact CG-NH1 3.26Å; E577-R613 PolarHBondContact O-NH1 2.9Å |
| 578 | F | 88.4 | Confident | 91.4 | Very high | 1.5 Ų | 1.5 | 33.8 Ų | 33.8 | 1% | 0.007 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -95 | -12.1 | 177 | -67.9 | -95.8 | 0 | 0 | 0 | 113.4 | L551 S554 P575 Q576 I581 Y620 T855 G856 | L551-F578 HydrophobicContact CB-CE1 4.29Å; L551-F578 HydrophobicContact CB-CE2 4.37Å; L551-F578 HydrophobicContact CB-CZ 4.01Å; L551-F578 HydrophobicContact CD2-CD1 3.74Å; L551-F578 HydrophobicContact CD2-CE1 3.83Å; L551-F578 HydrophobicContact CD2-CE2 4.29Å; L551-F578 HydrophobicContact CD2-CG 4.35Å; L551-F578 HydrophobicContact CD2-CZ 3.99Å; L551-F578 HydrophobicContact CG-CE1 4.4Å; L551-F578 HydrophobicContact CG-CZ 4.3Å; S554-F578 WeakPolarHBondContact OG-CE2 3.35Å; P575-F578 HydrophobicContact CB-CD2 3.76Å; P575-F578 HydrophobicContact CB-CE2 3.88Å; P575-F578 HydrophobicContact CG-CD2 3.95Å; P575-F578 HydrophobicContact CG-CE2 3.84Å; P575-F578 PolarHBondContact O-N 2.92Å; P575-F578 VanDerWaalsContact O-N 3.14Å; Q576-F578 PolarHBondContact O-N 3.29Å; F578-I581 HydrophobicContact CB-CD1 3.64Å; F578-I581 HydrophobicContact CB-CG1 3.9Å; F578-I581 HydrophobicContact CG-CD1 4.32Å; F578-Y620 AromaticContact CD1-CD1 3.82Å; F578-Y620 HydrophobicContact CD1-CD1 3.82Å; F578-Y620 HydrophobicContact CD1-CD2 4.16Å; F578-Y620 AromaticContact CD1-CE1 3.79Å; F578-Y620 HydrophobicContact CD1-CE1 3.79Å; F578-Y620 HydrophobicContact CD1-CE2 4.23Å; F578-Y620 AromaticContact CD1-CG 3.93Å; F578-Y620 HydrophobicContact CD1-CG 4.02Å; F578-Y620 AromaticContact CD1-CZ 3.97Å; F578-Y620 AromaticContact CE1-CD1 3.98Å; F578-Y620 HydrophobicContact CE1-CD1 4.05Å; F578-Y620 AromaticContact CE1-CD2 3.67Å; F578-Y620 HydrophobicContact CE1-CD2 3.67Å; F578-Y620 AromaticContact CE1-CE1 3.77Å; F578-Y620 HydrophobicContact CE1-CE1 3.77Å; F578-Y620 AromaticContact CE1-CE2 3.46Å; F578-Y620 HydrophobicContact CE1-CE2 3.46Å; F578-Y620 VanDerWaalsContact CE1-CE2 3.42Å; F578-Y620 AromaticContact CE1-CG 3.85Å; F578-Y620 HydrophobicContact CE1-CG 4.01Å; F578-Y620 AromaticContact CE1-CZ 3.54Å; F578-Y620 HydrophobicContact CZ-CE2 4.24Å; F578-T855 HydrophobicContact CB-CG2 4.46Å; F578-T855 HydrophobicContact CD1-CG2 4.18Å; F578-T855 WeakPolarHBondContact O-CG2 3.34Å; F578-G856 WeakPolarHBondContact O-CA 2.98Å |
| 579 | G | 88.5 | Confident | 91.3 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | 58.7 | -137.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q576 M605 | Q576-G579 PolarHBondContact O-N 2.9Å; G579-M605 VanDerWaalsContact CA-C 3.46Å | ||
| 580 | D | 90.1 | Very high | 91.1 | Very high | 28.5 Ų | 28.5 | 39.6 Ų | 39.6 | 15% | 0.152 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -67.4 | 126.6 | 176.4 | -170.5 | -14.4 | 0 | 0 | 0 | 110.8 | Q603 G604 G856 | D580-Q603 PolarHBondContact OD2-NE2 2.77Å; D580-G604 PolarHBondContact N-O 2.81Å; D580-G856 VanDerWaalsContact O-CA 3.26Å; D580-G856 WeakPolarHBondContact O-CA 3.46Å |
| 581 | I | 90 | Very high | 90.6 | Very high | 5.5 Ų | 5.5 | 47.7 Ų | 47.7 | 3% | 0.028 | 25% | 0.246 | C | C | . | . | trans | -123.5 | 138 | -177.6 | -62.7 | 175.8 | 0 | 0 | 0 | 108.2 | E508 Q510 L525 F526 F574 F578 | E508-I581 HydrophobicContact CB-CD1 4.49Å; E508-I581 HydrophobicContact CB-CG1 4.49Å; E508-I581 HydrophobicContact CG-CB 4.19Å; Q510-I581 PolarHBondContact NE2-O 3.08Å; Q510-I581 VanDerWaalsContact NE2-O 3.11Å; L525-I581 HydrophobicContact CD1-CG2 3.72Å; L525-I581 HydrophobicContact CD2-CG2 4.46Å; F526-I581 HydrophobicContact CZ-CG2 4.42Å; F574-I581 HydrophobicContact CB-CD1 3.52Å; F574-I581 HydrophobicContact CD1-CD1 3.65Å; F574-I581 HydrophobicContact CD2-CD1 4.43Å; F574-I581 HydrophobicContact CE1-CD1 4.46Å; F574-I581 HydrophobicContact CG-CD1 3.63Å; F578-I581 HydrophobicContact CB-CD1 3.64Å; F578-I581 HydrophobicContact CB-CG1 3.9Å; F578-I581 HydrophobicContact CG-CD1 4.32Å | ||
| 582 | P | 90.3 | Very high | 90 | Very high | 66.5 Ų | 66.5 | 46.5 Ų | 46.5 | 43% | 0.432 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -56.3 | 146.8 | 176 | 24.1 | -35.2 | 0 | 0 | 0 | 112.3 | Q510 L525 F526 L584 | Q510-P582 PolarHBondContact NE2-O 2.89Å; L525-P582 HydrophobicContact CD1-CG 4.39Å; F526-P582 HydrophobicContact CD1-CG 4.28Å; F526-P582 HydrophobicContact CE1-CG 3.54Å; F526-P582 HydrophobicContact CZ-CG 3.82Å; P582-L584 PolarHBondContact O-N 3.13Å |
| 583 | L | 93 | Very high | 89.4 | Confident | 91.5 Ų | 91.5 | 54.7 Ų | 54.7 | 48% | 0.479 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 134.6 | 175.2 | -64 | 177.7 | 0 | 0 | 0 | 111.1 | Q510 N585 V598 E600 | Q510-L583 HydrophobicContact CG-CD2 4.31Å; L583-N585 PolarHBondContact O-N 2.88Å; L583-V598 HydrophobicContact CB-CG1 4.26Å; L583-V598 HydrophobicContact CD2-CG1 4.23Å; L583-E600 HydrophobicContact CD2-CB 3.9Å |
| 584 | L | 93.4 | Very high | 88.8 | Confident | 6.5 Ų | 6.5 | 56.8 Ų | 56.8 | 3% | 0.034 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -55.5 | 133.8 | 172 | -71.2 | 166.8 | 0 | 0 | 0 | 110.4 | V512 L525 I572 F574 P582 V598 | V512-L584 HydrophobicContact CG2-CD1 3.98Å; L525-L584 HydrophobicContact CB-CD2 3.94Å; L525-L584 HydrophobicContact CD1-CD2 4Å; L525-L584 HydrophobicContact CG-CD2 4.42Å; I572-L584 HydrophobicContact CD1-CD1 3.53Å; I572-L584 VanDerWaalsContact CD1-CD1 3.49Å; F574-L584 HydrophobicContact CZ-CD1 3.89Å; F574-L584 HydrophobicContact CZ-CD2 4.11Å; F574-L584 HydrophobicContact CZ-CG 3.93Å; P582-L584 PolarHBondContact O-N 3.13Å; L584-V598 HydrophobicContact CB-CG1 4.14Å; L584-V598 HydrophobicContact CB-CG2 4.43Å; L584-V598 VanDerWaalsContact O-CG2 3.27Å; L584-V598 WeakPolarHBondContact O-CG2 3.35Å |
| 585 | N | 92.5 | Very high | 88.4 | Confident | 91.5 Ų | 91.5 | 63.7 Ų | 63.7 | 49% | 0.489 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 131.4 | 168 | -177.4 | 16.8 | 0 | 0 | 0 | 108.8 | C524 L583 | C524-N585 WeakPolarHBondContact CA-O 3.43Å; C524-N585 HydrophobicContact CB-CB 4.15Å; C524-N585 WeakPolarHBondContact CB-O 3.24Å; C524-N585 PolarHBondContact N-O 3.12Å; C524-N585 PolarHBondContact O-N 3.02Å; L583-N585 PolarHBondContact O-N 2.88Å |
| 586 | L | 91.3 | Very high | 88.3 | Confident | 19.5 Ų | 19.5 | 64.4 Ų | 64.4 | 10% | 0.102 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.8 | -174 | -157.3 | 144.8 | 0 | 0 | 0 | 112.1 | V512 I514 Y521 L523 P596 V598 | V512-L586 HydrophobicContact CG1-CD1 3.09Å; I514-L586 HydrophobicContact CD1-CD1 4Å; I514-L586 HydrophobicContact CG1-CD1 3.51Å; I514-L586 VanDerWaalsContact CG1-CD1 3.44Å; I514-L586 HydrophobicContact CG1-CD2 4.02Å; I514-L586 HydrophobicContact CG1-CG 4.44Å; Y521-L586 HydrophobicContact CD2-CD1 4.39Å; L523-L586 HydrophobicContact CD2-CD1 3.53Å; L523-L586 HydrophobicContact CD2-CG 4.13Å; L586-P596 HydrophobicContact CB-CB 4.06Å; L586-P596 HydrophobicContact CB-CG 4.04Å; L586-P596 HydrophobicContact CD1-CB 4.34Å; L586-P596 HydrophobicContact CD2-CB 3.41Å; L586-P596 VanDerWaalsContact CD2-CB 3.43Å; L586-P596 HydrophobicContact CD2-CG 3.41Å; L586-P596 VanDerWaalsContact CD2-CG 3.45Å; L586-P596 HydrophobicContact CG-CB 4.11Å; L586-P596 HydrophobicContact CG-CG 4.37Å; L586-V598 HydrophobicContact CB-CG2 4.38Å |
| 587 | Q | 90.3 | Very high | 88.4 | Confident | 72 Ų | 72 | 64.2 Ų | 64.2 | 34% | 0.336 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.9 | 174 | -59.8 | 178.9 | 3.2 | 0 | 0 | 109.4 | Y521 K522 F589 | Y521-Q587 CarbonylContact C-O 3.42Å; Y521-Q587 WeakPolarHBondContact CA-O 3.47Å; K522-Q587 HydrophobicContact CB-CB 4.4Å; K522-Q587 PolarHBondContact N-O 3.19Å; K522-Q587 PolarHBondContact O-N 3.03Å; K522-Q587 VanDerWaalsContact O-N 3.12Å; Q587-F589 HydrophobicContact CB-CE2 3.81Å; Q587-F589 HydrophobicContact CB-CZ 3.96Å |
| 588 | S | 90 | Very high | 88.8 | Confident | 10.5 Ų | 10.5 | 61.4 Ų | 61.4 | 7% | 0.073 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 141.9 | 178 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | P590 E591 | S588-P590 CarbonylContact C-O 3.56Å; S588-P590 CarbonylContact O-C 3.56Å; S588-P590 VanDerWaalsContact O-C 3.3Å; S588-E591 PolarHBondContact O-N 2.91Å |
| 589 | F | 88 | Confident | 89.1 | Confident | 75.5 Ų | 75.5 | 65.9 Ų | 65.9 | 33% | 0.331 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 122.7 | -178.7 | -57.7 | -86.2 | 0 | 0 | 0 | 109.7 | T519 Q520 K522 Q587 | T519-F589 PolarHBondContact N-O 3.04Å; T519-F589 PolarHBondContact OG1-O 3.06Å; Q520-F589 HydrophobicContact CB-CB 4.38Å; Q520-F589 PolarHBondContact N-O 3.28Å; Q520-F589 PolarHBondContact O-N 3.03Å; K522-F589 HydrophobicContact CD-CE2 3.92Å; K522-F589 HydrophobicContact CD-CZ 4.31Å; K522-F589 HydrophobicContact CG-CE2 3.93Å; Q587-F589 HydrophobicContact CB-CE2 3.81Å; Q587-F589 HydrophobicContact CB-CZ 3.96Å |
| 590 | P | 88.1 | Confident | 89.3 | Confident | 78 Ų | 78 | 69.7 Ų | 69.7 | 51% | 0.506 | 36% | 0.358 | S | S | . | . | S | Bend | cis | -61.3 | 161.9 | -11.8 | 30.1 | -36.1 | 0 | 0 | 0 | 111.7 | S588 T592 | S588-P590 CarbonylContact C-O 3.56Å; S588-P590 CarbonylContact O-C 3.56Å; S588-P590 VanDerWaalsContact O-C 3.3Å; P590-T592 VanDerWaalsContact O-CG2 3.3Å; P590-T592 WeakPolarHBondContact O-CG2 3.45Å; P590-T592 PolarHBondContact O-N 3.06Å |
| 591 | E | 84.2 | Confident | 89.4 | Confident | 170 Ų | 170 | 71.8 Ų | 71.8 | 79% | 0.794 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -62.1 | 131 | 171 | -119.8 | -178.1 | 178.1 | 0 | 0 | 109.3 | S588 | S588-E591 PolarHBondContact O-N 2.91Š|
| 592 | T | 82.4 | Confident | 89.7 | Confident | 22.5 Ų | 22.5 | 74.3 Ų | 74.3 | 14% | 0.138 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -109.7 | 153.2 | -174.7 | 65.9 | 0 | 0 | 0 | 0 | 111 | P515 A517 A518 P590 N594 | P515-T592 HydrophobicContact CB-CG2 4.33Å; P515-T592 WeakPolarHBondContact CB-OG1 3.41Å; P515-T592 WeakPolarHBondContact CG-OG1 3.18Å; A517-T592 HydrophobicContact CB-CG2 3.83Å; A518-T592 HydrophobicContact CB-CG2 3.94Å; P590-T592 VanDerWaalsContact O-CG2 3.3Å; P590-T592 WeakPolarHBondContact O-CG2 3.45Å; P590-T592 PolarHBondContact O-N 3.06Å; T592-N594 VanDerWaalsContact C-N 3.31Å; T592-N594 WeakPolarHBondContact CB-O 3.43Å; T592-N594 CarbonylContact O-C 3.43Å; T592-N594 PolarHBondContact O-N 3.02Å; T592-N594 PolarHBondContact OG1-O 3.19Å |
| 593 | I | 83.1 | Confident | 89.7 | Confident | 171.5 Ų | 171.5 | 75 Ų | 75 | 88% | 0.879 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -55.7 | -45 | 177.3 | -64 | 169.9 | 0 | 0 | 0 | 110.7 | K595 | I593-K595 PolarHBondContact O-N 3.19Š|
| 594 | N | 83.5 | Confident | 89.7 | Confident | 84 Ų | 84 | 70.6 Ų | 70.6 | 45% | 0.449 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -76.2 | 115.3 | 171.3 | -69.7 | -15.3 | 0 | 0 | 0 | 107.9 | P515 Y567 T592 | P515-N594 HydrophobicContact CB-CB 4.42Å; P515-N594 HydrophobicContact CG-CB 4.07Å; P515-N594 WeakPolarHBondContact CG-O 3.44Å; Y567-N594 HydrophobicContact CE1-CB 4.42Å; Y567-N594 WeakPolarHBondContact OH-CB 3.48Å; Y567-N594 PolarHBondContact OH-ND2 3.24Å; T592-N594 VanDerWaalsContact C-N 3.31Å; T592-N594 WeakPolarHBondContact CB-O 3.43Å; T592-N594 CarbonylContact O-C 3.43Å; T592-N594 PolarHBondContact O-N 3.02Å; T592-N594 PolarHBondContact OG1-O 3.19Å |
| 595 | K | 85.1 | Confident | 89.6 | Confident | 147.5 Ų | 147.5 | 71 Ų | 71 | 64% | 0.641 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -74.3 | 139.9 | 174.5 | -69.2 | -170.2 | 176.8 | -172.4 | 0 | 109.9 | I593 Q597 | I593-K595 PolarHBondContact O-N 3.19Å; K595-Q597 PolarHBondContact O-NE2 2.88Å; K595-Q597 VanDerWaalsContact O-NE2 3.14Å |
| 596 | P | 88.9 | Confident | 89.4 | Confident | 25.5 Ų | 25.5 | 67.2 Ų | 67.2 | 17% | 0.166 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 148.1 | 170.6 | 3.8 | -2.7 | 0 | 0 | 0 | 111.4 | S513 L586 | S513-P596 CarbonylContact O-C 3.44Å; S513-P596 VanDerWaalsContact O-CA 3.23Å; S513-P596 WeakPolarHBondContact O-CA 3.27Å; S513-P596 WeakPolarHBondContact O-CB 3.36Å; L586-P596 HydrophobicContact CB-CB 4.06Å; L586-P596 HydrophobicContact CB-CG 4.04Å; L586-P596 HydrophobicContact CD1-CB 4.34Å; L586-P596 HydrophobicContact CD2-CB 3.41Å; L586-P596 VanDerWaalsContact CD2-CB 3.43Å; L586-P596 HydrophobicContact CD2-CG 3.41Å; L586-P596 VanDerWaalsContact CD2-CG 3.45Å; L586-P596 HydrophobicContact CG-CB 4.11Å; L586-P596 HydrophobicContact CG-CG 4.37Å |
| 597 | Q | 91.2 | Very high | 89 | Confident | 100.5 Ų | 100.5 | 67.1 Ų | 67.1 | 47% | 0.47 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 140.1 | -179.2 | -60.3 | -62.9 | -56.7 | 0 | 0 | 109.5 | V512 S513 K595 | V512-Q597 CarbonylContact C-O 3.56Å; S513-Q597 PolarHBondContact N-O 3.26Å; S513-Q597 PolarHBondContact O-N 3.06Å; K595-Q597 PolarHBondContact O-NE2 2.88Å; K595-Q597 VanDerWaalsContact O-NE2 3.14Å |
| 598 | V | 93.2 | Very high | 88.6 | Confident | 20.5 Ų | 20.5 | 64.2 Ų | 64.2 | 12% | 0.124 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 121.7 | 173.5 | -176.6 | 0 | 0 | 0 | 0 | 107.5 | Q510 T511 V512 L583 L584 L586 | Q510-V598 HydrophobicContact CB-CG1 4.37Å; T511-V598 WeakPolarHBondContact O-CA 3.44Å; V512-V598 HydrophobicContact CB-CG2 4.49Å; V512-V598 HydrophobicContact CG1-CG2 4.27Å; V512-V598 HydrophobicContact CG2-CG1 4.06Å; V512-V598 HydrophobicContact CG2-CG2 4.06Å; L583-V598 HydrophobicContact CB-CG1 4.26Å; L583-V598 HydrophobicContact CD2-CG1 4.23Å; L584-V598 HydrophobicContact CB-CG1 4.14Å; L584-V598 HydrophobicContact CB-CG2 4.43Å; L584-V598 VanDerWaalsContact O-CG2 3.27Å; L584-V598 WeakPolarHBondContact O-CG2 3.35Å; L586-V598 HydrophobicContact CB-CG2 4.38Å |
| 599 | N | 93.7 | Very high | 88 | Confident | 97 Ų | 97 | 67.8 Ų | 67.8 | 52% | 0.519 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 142.9 | 179.6 | -66.9 | -18.5 | 0 | 0 | 0 | 109.5 | Q510 T511 | Q510-N599 CarbonylContact C-O 3.45Å; Q510-N599 WeakPolarHBondContact CA-O 3.36Å; T511-N599 PolarHBondContact N-O 3.15Å; T511-N599 PolarHBondContact O-N 3.43Å |
| 600 | E | 92.8 | Very high | 87.6 | Confident | 80 Ų | 80 | 70.3 Ų | 70.3 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.3 | 169.1 | -176.9 | 175.4 | -119.9 | 0 | 0 | 109.4 | E508 L583 Q603 | E508-E600 WeakPolarHBondContact OE1-CG 3.22Å; L583-E600 HydrophobicContact CD2-CB 3.9Å; E600-Q603 VanDerWaalsContact CD-CB 3.49Å; E600-Q603 HydrophobicContact CG-CB 4.23Å; E600-Q603 VanDerWaalsContact OE1-CA 3.3Å; E600-Q603 WeakPolarHBondContact OE1-CA 3.23Å; E600-Q603 WeakPolarHBondContact OE1-CB 3.46Å; E600-Q603 VanDerWaalsContact OE1-CG 3.29Å; E600-Q603 WeakPolarHBondContact OE1-CG 3.37Å |
| 601 | T | 93.5 | Very high | 87.6 | Confident | 72.6667 Ų | 72.6667 | 69.9 Ų | 69.9 | 45% | 0.446 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -37.8 | 179.4 | -53.8 | 0 | 0 | 0 | 0 | 111 | I509 T511 | I509-T601 WeakPolarHBondContact O-CA 3.42Å; I509-T601 WeakPolarHBondContact O-CB 3.36Å; I509-T601 PolarHBondContact O-N 3.19Å; T511-T601 PolarHBondContact OG1-OG1 3.14Å |
| 602 | V | 94.4 | Very high | 88 | Confident | 56.6667 Ų | 56.6667 | 62.1 Ų | 62.1 | 34% | 0.343 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 113.9 | 169.9 | 178.6 | 0 | 0 | 0 | 0 | 107.3 | I506 E508 I509 G604 | I506-V602 HydrophobicContact CG2-CG1 3.9Å; E508-V602 CarbonylContact C-O 3.5Å; E508-V602 WeakPolarHBondContact CA-O 3.35Å; I509-V602 HydrophobicContact CB-CB 3.92Å; I509-V602 HydrophobicContact CB-CG2 4.16Å; I509-V602 HydrophobicContact CD1-CB 4.21Å; I509-V602 HydrophobicContact CD1-CG2 3.87Å; I509-V602 HydrophobicContact CG1-CB 4.02Å; I509-V602 HydrophobicContact CG1-CG2 4.2Å; I509-V602 PolarHBondContact N-O 3.05Å; I509-V602 PolarHBondContact O-N 3.29Å; I509-V602 VanDerWaalsContact O-N 3.08Å; V602-G604 PolarHBondContact O-N 3.07Å |
| 603 | Q | 92.1 | Very high | 88.5 | Confident | 81.6667 Ų | 81.6667 | 62.7 Ų | 62.7 | 38% | 0.382 | 34% | 0.335 | S | S | . | . | trans | -67.4 | 117.1 | 173.3 | -174.3 | 174.6 | 22.8 | 0 | 0 | 110.2 | E508 D580 E600 R876 | E508-Q603 VanDerWaalsContact OE2-CA 3.3Å; E508-Q603 WeakPolarHBondContact OE2-CA 3.19Å; D580-Q603 PolarHBondContact OD2-NE2 2.77Å; E600-Q603 VanDerWaalsContact CD-CB 3.49Å; E600-Q603 HydrophobicContact CG-CB 4.23Å; E600-Q603 VanDerWaalsContact OE1-CA 3.3Å; E600-Q603 WeakPolarHBondContact OE1-CA 3.23Å; E600-Q603 WeakPolarHBondContact OE1-CB 3.46Å; E600-Q603 VanDerWaalsContact OE1-CG 3.29Å; E600-Q603 WeakPolarHBondContact OE1-CG 3.37Å; Q603-R876 PolarHBondContact O-NH1 2.9Å | ||
| 604 | G | 91.6 | Very high | 89 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | -60.3 | 159.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | I506 E508 D580 V602 R876 | I506-G604 WeakPolarHBondContact O-CA 3.33Å; E508-G604 PolarHBondContact OE2-N 3.06Å; D580-G604 PolarHBondContact N-O 2.81Å; V602-G604 PolarHBondContact O-N 3.07Å; G604-R876 PolarHBondContact O-NH1 2.89Å; G604-R876 PolarHBondContact O-NH2 3.22Å | ||
| 605 | M | 91.1 | Very high | 89.5 | Confident | 13.6667 Ų | 13.6667 | 50.8 Ų | 50.8 | 7% | 0.067 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -139.8 | 125 | 177.5 | -171.8 | -172 | 72.1 | 0 | 0 | 109.8 | I503 V504 P505 I506 G579 G607 D874 R876 | I503-M605 HydrophobicContact CG2-CE 3.92Å; V504-M605 WeakPolarHBondContact O-CE 3.46Å; P505-M605 WeakPolarHBondContact CA-O 3.34Å; I506-M605 HydrophobicContact CB-CB 3.81Å; I506-M605 HydrophobicContact CD1-CB 3.95Å; I506-M605 HydrophobicContact CD1-CE 4.03Å; I506-M605 HydrophobicContact CD1-SD 4.22Å; I506-M605 HydrophobicContact CG1-CB 4.03Å; I506-M605 HydrophobicContact CG1-CE 4.11Å; I506-M605 PolarHBondContact N-O 3.45Å; I506-M605 PolarHBondContact O-N 2.79Å; G579-M605 VanDerWaalsContact CA-C 3.46Å; M605-G607 PolarHBondContact O-N 2.9Å; M605-D874 HydrophobicContact CG-CB 4.46Å; M605-R876 HydrophobicContact CG-CB 4.44Å; M605-R876 HydrophobicContact SD-CB 3.39Å; M605-R876 WeakPolarHBondContact SD-CB 3.3Å; M605-R876 HydrophobicContact SD-CG 4.3Å |
| 606 | T | 87.9 | Confident | 89.8 | Confident | 12.6667 Ų | 12.6667 | 44.1 Ų | 44.1 | 8% | 0.078 | 25% | 0.245 | C | C | . | . | trans | -67.2 | 123.2 | 177.8 | -59.4 | 0 | 0 | 0 | 0 | 110.5 | T855 G856 W877 | T606-T855 WeakPolarHBondContact CB-O 3.45Å; T606-T855 VanDerWaalsContact CG2-O 3.29Å; T606-T855 WeakPolarHBondContact CG2-O 3.34Å; T606-T855 PolarHBondContact OG1-O 3.18Å; T606-G856 VanDerWaalsContact OG1-CA 3.29Å; T606-G856 WeakPolarHBondContact OG1-CA 3.37Å; T606-G856 PolarHBondContact OG1-O 2.97Å; T606-W877 PolarHBondContact O-NE1 2.83Å | ||
| 607 | G | 84.6 | Confident | 89.7 | Confident | 17.6667 Ų | 17.6667 | 43.9 Ų | 43.9 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | trans | -95.4 | 170.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I503 M605 | I503-G607 CarbonylContact O-C 3.53Å; I503-G607 VanDerWaalsContact O-CA 3.25Å; I503-G607 WeakPolarHBondContact O-CA 3.41Å; M605-G607 PolarHBondContact O-N 2.9Å | ||
| 608 | F | 82.2 | Confident | 89.4 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 4% | 0.044 | 25% | 0.25 | C | C | . | . | B | Isolated β-bridge | trans | -132.5 | 121.4 | 174.3 | -91.1 | -83.6 | 0 | 0 | 0 | 110.2 | L498 S501 S502 I503 I612 L627 L854 W877 | L498-F608 HydrophobicContact CB-CD2 4.35Å; L498-F608 HydrophobicContact CB-CE1 4.13Å; L498-F608 HydrophobicContact CB-CE2 3.87Å; L498-F608 HydrophobicContact CB-CZ 3.76Å; L498-F608 HydrophobicContact CD1-CD1 4.15Å; L498-F608 HydrophobicContact CD1-CD2 3.94Å; L498-F608 HydrophobicContact CD1-CE1 3.67Å; L498-F608 HydrophobicContact CD1-CE2 3.77Å; L498-F608 HydrophobicContact CD1-CZ 3.94Å; L498-F608 HydrophobicContact CD2-CD2 4.39Å; L498-F608 HydrophobicContact CD2-CE1 4.42Å; L498-F608 HydrophobicContact CD2-CE2 3.98Å; L498-F608 HydrophobicContact CD2-CZ 4Å; L498-F608 HydrophobicContact CG-CE2 4.41Å; L498-F608 WeakPolarHBondContact O-CE1 3.29Å; S501-F608 VanDerWaalsContact O-CD1 3.3Å; S501-F608 WeakPolarHBondContact O-CD1 3.34Å; S501-F608 VanDerWaalsContact OG-CD1 3.22Å; S501-F608 WeakPolarHBondContact OG-CD1 3.42Å; S502-F608 WeakPolarHBondContact CA-O 3.4Å; I503-F608 HydrophobicContact CB-CB 4.25Å; I503-F608 HydrophobicContact CB-CD2 4.16Å; I503-F608 HydrophobicContact CD1-CB 4.17Å; I503-F608 HydrophobicContact CD1-CD2 3.56Å; I503-F608 HydrophobicContact CD1-CE2 3.98Å; I503-F608 HydrophobicContact CG1-CB 4.44Å; I503-F608 HydrophobicContact CG1-CD2 4.25Å; I503-F608 PolarHBondContact N-O 3Å; I503-F608 PolarHBondContact O-N 2.92Å; F608-I612 HydrophobicContact CD1-CG1 4.4Å; F608-I612 HydrophobicContact CD2-CG1 4.19Å; F608-I612 HydrophobicContact CE2-CD1 3.88Å; F608-I612 HydrophobicContact CE2-CG1 3.55Å; F608-L627 HydrophobicContact CZ-CD1 3.86Å; F608-L627 HydrophobicContact CZ-CG 4.29Å; F608-L854 HydrophobicContact CE1-CD1 4.19Å; F608-L854 HydrophobicContact CZ-CD1 3.86Å; F608-W877 HydrophobicContact CD2-CZ2 4.3Å; F608-W877 HydrophobicContact CE2-CD2 4.11Å; F608-W877 AromaticContact CE2-CE2 3.71Å; F608-W877 HydrophobicContact CE2-CE3 4.03Å; F608-W877 AromaticContact CE2-CH2 3.29Å; F608-W877 HydrophobicContact CE2-CH2 3.29Å; F608-W877 AromaticContact CE2-CZ2 3.32Å; F608-W877 HydrophobicContact CE2-CZ2 3.32Å; F608-W877 VanDerWaalsContact CE2-CZ2 3.43Å; F608-W877 AromaticContact CE2-CZ3 3.62Å; F608-W877 HydrophobicContact CE2-CZ3 3.62Å; F608-W877 AromaticContact CZ-CH2 3.32Å; F608-W877 HydrophobicContact CZ-CH2 3.32Å; F608-W877 AromaticContact CZ-CZ2 3.64Å; F608-W877 HydrophobicContact CZ-CZ2 3.64Å; F608-W877 AromaticContact CZ-CZ3 3.89Å; F608-W877 HydrophobicContact CZ-CZ3 3.89Å |
| 609 | S | 75.9 | Confident | 89.2 | Confident | 87 Ų | 87 | 41.5 Ų | 41.5 | 61% | 0.608 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -143.3 | 70.8 | 174.5 | -172.8 | 0 | 0 | 0 | 0 | 108.7 | T611 | S609-T611 PolarHBondContact O-N 3.09Š|
| 610 | N | 79.9 | Confident | 89 | Confident | 128.333 Ų | 128.333 | 37.4 Ų | 37.4 | 69% | 0.686 | 23% | 0.226 | S | C | * | . | S | Bend | trans | 63.5 | -18 | -174.7 | -65.3 | -23.8 | 0 | 0 | 0 | 117.6 | T626 | N610-T626 VanDerWaalsContact O-CA 3.27Å; N610-T626 WeakPolarHBondContact O-CA 3.39Å; N610-T626 VanDerWaalsContact O-CB 3.27Å; N610-T626 WeakPolarHBondContact O-CB 3.25Å; N610-T626 VanDerWaalsContact O-CG2 3.29Å; N610-T626 WeakPolarHBondContact O-CG2 3.41Å |
| 611 | T | 89.1 | Confident | 89 | Confident | 69.3333 Ų | 69.3333 | 33.6 Ų | 33.6 | 43% | 0.425 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 142.5 | 177.3 | 53.7 | 0 | 0 | 0 | 0 | 112 | S609 Y625 T626 | S609-T611 PolarHBondContact O-N 3.09Å; T611-Y625 CarbonylContact C-O 3.55Å; T611-Y625 WeakPolarHBondContact CA-O 3.28Å; T611-T626 HydrophobicContact CG2-CG2 4.47Å |
| 612 | I | 92 | Very high | 88.7 | Confident | 6 Ų | 6 | 32.9 Ų | 32.9 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 132.9 | 177.3 | -58.8 | 177.5 | 0 | 0 | 0 | 108.2 | H495 L498 F608 T624 Y625 L627 L854 | H495-I612 HydrophobicContact CB-CD1 4.46Å; L498-I612 HydrophobicContact CD1-CD1 4.31Å; F608-I612 HydrophobicContact CD1-CG1 4.4Å; F608-I612 HydrophobicContact CD2-CG1 4.19Å; F608-I612 HydrophobicContact CE2-CD1 3.88Å; F608-I612 HydrophobicContact CE2-CG1 3.55Å; I612-T624 CarbonylContact O-C 3.58Å; I612-T624 VanDerWaalsContact O-CA 3.26Å; I612-T624 WeakPolarHBondContact O-CA 3.41Å; I612-T624 WeakPolarHBondContact O-CB 3.27Å; I612-Y625 HydrophobicContact CB-CD1 4.35Å; I612-Y625 HydrophobicContact CB-CD2 4.49Å; I612-Y625 HydrophobicContact CB-CE1 4.01Å; I612-Y625 HydrophobicContact CB-CE2 4.13Å; I612-Y625 HydrophobicContact CD1-CE2 4.09Å; I612-Y625 HydrophobicContact CG2-CE1 3.79Å; I612-Y625 HydrophobicContact CG2-CE2 4.36Å; I612-Y625 WeakPolarHBondContact CG2-OH 3.06Å; I612-Y625 PolarHBondContact N-O 3.18Å; I612-Y625 PolarHBondContact O-N 3.31Å; I612-L627 HydrophobicContact CD1-CD2 3.58Å; I612-L627 HydrophobicContact CD1-CG 4.08Å; I612-L854 HydrophobicContact CG2-CD2 3.55Å |
| 613 | R | 92.5 | Very high | 88.5 | Confident | 34 Ų | 34 | 33.7 Ų | 33.7 | 13% | 0.128 | 20% | 0.199 | C | C | . | . | trans | -114.4 | 107.6 | 174.2 | -168.2 | -179 | -80.1 | 153.4 | -3.6 | 109.7 | E577 S621 T624 T855 | E577-R613 VanDerWaalsContact CG-NH1 3.26Å; E577-R613 PolarHBondContact O-NH1 2.9Å; R613-S621 WeakPolarHBondContact CD-O 3.38Å; R613-S621 VanDerWaalsContact CG-O 3.24Å; R613-S621 WeakPolarHBondContact CG-O 3.23Å; R613-S621 PolarHBondContact NE-O 3.39Å; R613-S621 VanDerWaalsContact NE-O 3.17Å; R613-T624 HydrophobicContact CB-CG2 3.94Å; R613-T624 HydrophobicContact CG-CG2 4.17Å; R613-T855 WeakPolarHBondContact CD-OG1 3.22Å; R613-T855 VanDerWaalsContact CG-OG1 3.25Å; R613-T855 WeakPolarHBondContact CG-OG1 3.37Å; R613-T855 WeakPolarHBondContact O-CB 3.49Å; R613-T855 PolarHBondContact O-N 3.31Å; R613-T855 PolarHBondContact O-OG1 3.13Å | ||
| 614 | P | 94.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 152.8 | 179.9 | 30.8 | -32.9 | 0 | 0 | 0 | 110.3 | S621 Y625 A637 Y638 L641 T855 | P614-S621 PolarHBondContact O-N 2.82Å; P614-S621 VanDerWaalsContact O-N 3.09Å; P614-Y625 HydrophobicContact CB-CE1 4.39Å; P614-Y625 HydrophobicContact CG-CD1 4.46Å; P614-Y625 HydrophobicContact CG-CE1 4.1Å; P614-A637 HydrophobicContact CG-CB 4.08Å; P614-A637 WeakPolarHBondContact CG-O 3.42Å; P614-Y638 HydrophobicContact CB-CD1 4.29Å; P614-Y638 HydrophobicContact CB-CD2 4.32Å; P614-Y638 HydrophobicContact CB-CE1 3.92Å; P614-Y638 HydrophobicContact CB-CE2 3.96Å; P614-Y638 HydrophobicContact CB-CG 4.48Å; P614-Y638 HydrophobicContact CG-CD2 4.18Å; P614-Y638 HydrophobicContact CG-CE2 4.17Å; P614-Y638 HydrophobicContact CG-CG 4.47Å; P614-L641 HydrophobicContact CB-CD1 4.02Å; P614-L641 HydrophobicContact CG-CD1 4.17Å; P614-T855 PolarHBondContact O-OG1 2.88Å |
| 615 | S | 92.8 | Very high | 88.6 | Confident | 6.66667 Ų | 6.66667 | 32.8 Ų | 32.8 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 160 | 173.8 | 71.1 | 0 | 0 | 0 | 0 | 111.3 | M619 F852 G853 L854 | S615-M619 CarbonylContact C-O 3.52Å; S615-M619 WeakPolarHBondContact CA-O 3.34Å; S615-M619 VanDerWaalsContact CB-O 3.24Å; S615-M619 WeakPolarHBondContact CB-O 3.29Å; S615-F852 WeakPolarHBondContact O-CA 3.39Å; S615-G853 PolarHBondContact N-O 2.85Å; S615-G853 PolarHBondContact O-N 3.05Å; S615-G853 VanDerWaalsContact OG-CA 3.29Å; S615-G853 WeakPolarHBondContact OG-CA 3.26Å; S615-G853 PolarHBondContact OG-O 3.01Å; S615-L854 VanDerWaalsContact CB-C 3.49Å; S615-L854 WeakPolarHBondContact CB-O 3.44Å; S615-L854 PolarHBondContact OG-N 2.86Å; S615-L854 VanDerWaalsContact OG-N 3.13Å; S615-L854 PolarHBondContact OG-O 3.01Å |
| 616 | Y | 92 | Very high | 88.7 | Confident | 5.33333 Ų | 5.33333 | 34.3 Ų | 34.3 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 114.4 | 173.4 | -175.7 | -95.3 | 0 | 0 | 0 | 108.9 | G618 M619 K818 D819 F821 F849 E850 F852 | Y616-G618 VanDerWaalsContact C-N 3.28Å; Y616-G618 PolarHBondContact O-N 2.97Å; Y616-M619 PolarHBondContact N-O 3.02Å; Y616-M619 WeakPolarHBondContact O-CB 3.41Å; Y616-M619 PolarHBondContact O-N 3Å; Y616-K818 HydrophobicContact CD1-CB 4.35Å; Y616-D819 HydrophobicContact CD1-CB 4.38Å; Y616-D819 HydrophobicContact CE1-CB 3.54Å; Y616-D819 VanDerWaalsContact CE1-CB 3.48Å; Y616-D819 PolarHBondContact OH-OD2 3.05Å; Y616-F821 AromaticContact CD1-CZ 3.96Å; Y616-F821 HydrophobicContact CD1-CZ 4.07Å; Y616-F821 AromaticContact CD2-CZ 3.97Å; Y616-F821 HydrophobicContact CD2-CZ 3.97Å; Y616-F821 HydrophobicContact CE1-CE1 4.48Å; Y616-F821 AromaticContact CE1-CZ 3.97Å; Y616-F821 HydrophobicContact CE1-CZ 4.06Å; Y616-F821 HydrophobicContact CE2-CE1 4.34Å; Y616-F821 AromaticContact CE2-CZ 3.95Å; Y616-F821 HydrophobicContact CE2-CZ 3.95Å; Y616-F821 AromaticContact CG-CZ 3.94Å; Y616-F821 HydrophobicContact CG-CZ 4.01Å; Y616-F821 AromaticContact CZ-CZ 3.96Å; Y616-F849 VanDerWaalsContact OH-CA 3.3Å; Y616-F849 WeakPolarHBondContact OH-CA 3.47Å; Y616-F849 WeakPolarHBondContact OH-CD1 3.33Å; Y616-E850 HydrophobicContact CD2-CB 4.47Å; Y616-E850 HydrophobicContact CE2-CB 3.96Å; Y616-E850 VanDerWaalsContact CE2-O 3.29Å; Y616-E850 WeakPolarHBondContact CE2-O 3.43Å; Y616-E850 PolarHBondContact OH-N 3.09Å; Y616-F852 AromaticContact CD2-CD1 3.69Å; Y616-F852 HydrophobicContact CD2-CD1 3.69Å; Y616-F852 AromaticContact CD2-CE1 3.65Å; Y616-F852 HydrophobicContact CD2-CE1 3.65Å; Y616-F852 HydrophobicContact CD2-CG 4.45Å; Y616-F852 HydrophobicContact CD2-CZ 4.39Å; Y616-F852 HydrophobicContact CE2-CE1 4.35Å; Y616-F852 HydrophobicContact CG-CD1 4.38Å; Y616-F852 HydrophobicContact CG-CE1 4.32Å |
| 617 | G | 86.5 | Confident | 88.7 | Confident | 23 Ų | 23 | 35.1 Ų | 35.1 | 24% | 0.237 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 34.7 | 177 | 0 | 0 | 0 | 0 | 0 | 116.5 | M619 K818 E850 | G617-M619 VanDerWaalsContact C-N 3.31Å; G617-K818 WeakPolarHBondContact O-CD 3.41Å; G617-K818 PolarHBondContact O-NZ 2.79Å; G617-E850 WeakPolarHBondContact CA-OE2 3.31Å; G617-E850 PolarHBondContact N-OE2 2.93Å |
| 618 | G | 84.1 | Confident | 88.9 | Confident | 49 Ų | 49 | 38 Ų | 38 | 51% | 0.505 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -10.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | F526 Y616 Y620 | F526-G618 VanDerWaalsContact CE1-O 3.26Å; F526-G618 WeakPolarHBondContact CE1-O 3.36Å; Y616-G618 VanDerWaalsContact C-N 3.28Å; Y616-G618 PolarHBondContact O-N 2.97Å; G618-Y620 WeakPolarHBondContact O-CE1 3.29Å |
| 619 | M | 88.9 | Confident | 89.5 | Confident | 21.6667 Ų | 21.6667 | 38.1 Ų | 38.1 | 11% | 0.107 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 139.4 | 173.6 | -66.8 | -167.1 | 69.9 | 0 | 0 | 111.6 | F526 S615 Y616 G617 L641 R815 F816 P817 K818 | F526-M619 HydrophobicContact CB-CE 4.37Å; F526-M619 HydrophobicContact CD1-CG 4.31Å; S615-M619 CarbonylContact C-O 3.52Å; S615-M619 WeakPolarHBondContact CA-O 3.34Å; S615-M619 VanDerWaalsContact CB-O 3.24Å; S615-M619 WeakPolarHBondContact CB-O 3.29Å; Y616-M619 PolarHBondContact N-O 3.02Å; Y616-M619 WeakPolarHBondContact O-CB 3.41Å; Y616-M619 PolarHBondContact O-N 3Å; G617-M619 VanDerWaalsContact C-N 3.31Å; M619-L641 VanDerWaalsContact O-CD2 3.29Å; M619-L641 WeakPolarHBondContact O-CD2 3.45Å; M619-R815 HydrophobicContact CE-CG 3.75Å; M619-R815 VanDerWaalsContact CE-NE 3.3Å; M619-F816 WeakPolarHBondContact CE-O 3.46Å; M619-F816 VanDerWaalsContact SD-O 3.34Å; M619-P817 VanDerWaalsContact SD-C 3.59Å; M619-P817 VanDerWaalsContact SD-CA 3.55Å; M619-K818 HydrophobicContact CG-CB 4.49Å; M619-K818 HydrophobicContact SD-CB 3.99Å; M619-K818 PolarHBondContact SD-N 2.95Å |
| 620 | Y | 90.1 | Very high | 90.4 | Very high | 10.6667 Ų | 10.6667 | 37.5 Ų | 37.5 | 4% | 0.042 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 148.5 | 179.5 | 32.8 | -81.8 | 0 | 0 | 0 | 112.4 | F526 K550 L551 F578 G618 L641 R815 T855 | F526-Y620 AromaticContact CD2-CE1 3.96Å; F526-Y620 HydrophobicContact CD2-CE1 3.99Å; F526-Y620 HydrophobicContact CE1-CE1 4.4Å; F526-Y620 AromaticContact CE2-CD1 3.85Å; F526-Y620 HydrophobicContact CE2-CD1 3.85Å; F526-Y620 AromaticContact CE2-CE1 3.19Å; F526-Y620 HydrophobicContact CE2-CE1 3.19Å; F526-Y620 AromaticContact CE2-CZ 3.57Å; F526-Y620 WeakPolarHBondContact CE2-OH 3.23Å; F526-Y620 AromaticContact CZ-CD1 3.76Å; F526-Y620 HydrophobicContact CZ-CD1 3.76Å; F526-Y620 AromaticContact CZ-CE1 3.58Å; F526-Y620 HydrophobicContact CZ-CE1 3.58Å; K550-Y620 PolarHBondContact O-OH 2.92Å; L551-Y620 VanDerWaalsContact CA-OH 3.3Å; L551-Y620 WeakPolarHBondContact CA-OH 3.14Å; L551-Y620 HydrophobicContact CD2-CE1 3.94Å; L551-Y620 VanDerWaalsContact CD2-OH 3.24Å; L551-Y620 WeakPolarHBondContact CD2-OH 3.4Å; F578-Y620 AromaticContact CD1-CD1 3.82Å; F578-Y620 HydrophobicContact CD1-CD1 3.82Å; F578-Y620 HydrophobicContact CD1-CD2 4.16Å; F578-Y620 AromaticContact CD1-CE1 3.79Å; F578-Y620 HydrophobicContact CD1-CE1 3.79Å; F578-Y620 HydrophobicContact CD1-CE2 4.23Å; F578-Y620 AromaticContact CD1-CG 3.93Å; F578-Y620 HydrophobicContact CD1-CG 4.02Å; F578-Y620 AromaticContact CD1-CZ 3.97Å; F578-Y620 AromaticContact CE1-CD1 3.98Å; F578-Y620 HydrophobicContact CE1-CD1 4.05Å; F578-Y620 AromaticContact CE1-CD2 3.67Å; F578-Y620 HydrophobicContact CE1-CD2 3.67Å; F578-Y620 AromaticContact CE1-CE1 3.77Å; F578-Y620 HydrophobicContact CE1-CE1 3.77Å; F578-Y620 AromaticContact CE1-CE2 3.46Å; F578-Y620 HydrophobicContact CE1-CE2 3.46Å; F578-Y620 VanDerWaalsContact CE1-CE2 3.42Å; F578-Y620 AromaticContact CE1-CG 3.85Å; F578-Y620 HydrophobicContact CE1-CG 4.01Å; F578-Y620 AromaticContact CE1-CZ 3.54Å; F578-Y620 HydrophobicContact CZ-CE2 4.24Å; G618-Y620 WeakPolarHBondContact O-CE1 3.29Å; Y620-L641 VanDerWaalsContact C-CD2 3.43Å; Y620-R815 VanDerWaalsContact CE1-NH1 3.28Å; Y620-R815 VanDerWaalsContact CZ-NH1 3.3Å; Y620-R815 VanDerWaalsContact N-NH2 3.18Å; Y620-R815 PolarHBondContact O-NH1 2.9Å; Y620-R815 PolarHBondContact O-NH2 3.25Å; Y620-R815 VanDerWaalsContact O-NH2 3.15Å; Y620-R815 PolarHBondContact OH-NH1 2.84Å; Y620-R815 VanDerWaalsContact OH-NH1 3.1Å; Y620-T855 VanDerWaalsContact CB-OG1 3.25Å; Y620-T855 WeakPolarHBondContact CB-OG1 3.43Å; Y620-T855 HydrophobicContact CD1-CG2 3.97Å; Y620-T855 HydrophobicContact CD2-CG2 3.62Å; Y620-T855 HydrophobicContact CE1-CG2 4.04Å; Y620-T855 HydrophobicContact CE2-CG2 4Å; Y620-T855 HydrophobicContact CG-CG2 4.02Å; Y620-T855 VanDerWaalsContact CG-CG2 3.41Å |
| 621 | S | 92.4 | Very high | 91.2 | Very high | 0.333333 Ų | 0.333333 | 35.5 Ų | 35.5 | 0% | 0.002 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -74.3 | 139 | 171.7 | -171.5 | 0 | 0 | 0 | 0 | 111.2 | R613 P614 M623 A637 L641 | R613-S621 WeakPolarHBondContact CD-O 3.38Å; R613-S621 VanDerWaalsContact CG-O 3.24Å; R613-S621 WeakPolarHBondContact CG-O 3.23Å; R613-S621 PolarHBondContact NE-O 3.39Å; R613-S621 VanDerWaalsContact NE-O 3.17Å; P614-S621 PolarHBondContact O-N 2.82Å; P614-S621 VanDerWaalsContact O-N 3.09Å; S621-M623 VanDerWaalsContact C-N 3.27Å; S621-M623 WeakPolarHBondContact CB-O 3.39Å; S621-M623 PolarHBondContact O-N 3.2Å; S621-M623 PolarHBondContact OG-N 2.86Å; S621-M623 PolarHBondContact OG-O 3.06Å; S621-A637 VanDerWaalsContact CB-O 3.24Å; S621-A637 WeakPolarHBondContact CB-O 3.29Å; S621-A637 PolarHBondContact OG-O 3.27Å; S621-L641 VanDerWaalsContact N-CD2 3.3Å |
| 622 | Y | 87.2 | Confident | 91.5 | Very high | 58 Ų | 58 | 36.3 Ų | 36.3 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -78.7 | -6.2 | 171.7 | 55.1 | -97.8 | 0 | 0 | 0 | 113 | N552 N640 W645 | N552-Y622 PolarHBondContact ND2-O 2.96Å; N552-Y622 VanDerWaalsContact ND2-O 3.16Å; Y622-N640 HydrophobicContact CD1-CB 4.21Å; Y622-N640 HydrophobicContact CD2-CB 4.48Å; Y622-N640 HydrophobicContact CE1-CB 3.64Å; Y622-N640 HydrophobicContact CE2-CB 4.01Å; Y622-N640 VanDerWaalsContact CE2-CG 3.42Å; Y622-N640 VanDerWaalsContact CE2-ND2 3.29Å; Y622-N640 WeakPolarHBondContact CE2-ND2 3.38Å; Y622-N640 VanDerWaalsContact CZ-OD1 3.25Å; Y622-N640 VanDerWaalsContact OH-CG 3.28Å; Y622-N640 PolarHBondContact OH-OD1 2.97Å; Y622-N640 VanDerWaalsContact OH-OD1 3.06Å; Y622-W645 HydrophobicContact CD1-CB 4.16Å; Y622-W645 AromaticContact CD1-CE3 3.72Å; Y622-W645 HydrophobicContact CD1-CE3 3.72Å; Y622-W645 HydrophobicContact CD1-CZ3 4.18Å; Y622-W645 HydrophobicContact CD2-CE3 4.28Å; Y622-W645 AromaticContact CD2-CZ3 3.9Å; Y622-W645 HydrophobicContact CD2-CZ3 3.9Å; Y622-W645 HydrophobicContact CE1-CB 4.22Å; Y622-W645 AromaticContact CE1-CE3 4Å; Y622-W645 HydrophobicContact CE1-CE3 4Å; Y622-W645 HydrophobicContact CE1-CZ3 4.48Å; Y622-W645 HydrophobicContact CE2-CZ3 4.23Å; Y622-W645 AromaticContact CG-CE3 3.86Å; Y622-W645 HydrophobicContact CG-CE3 3.86Å; Y622-W645 AromaticContact CG-CZ3 3.87Å; Y622-W645 HydrophobicContact CG-CZ3 3.87Å |
| 623 | M | 90.7 | Very high | 91.7 | Very high | 72 Ų | 72 | 40.2 Ų | 40.2 | 36% | 0.355 | 24% | 0.235 | S | C | . | . | trans | -109.6 | 145.3 | 169.5 | -76.6 | -176.9 | 65.9 | 0 | 0 | 111.1 | S621 Q636 A637 N640 | S621-M623 VanDerWaalsContact C-N 3.27Å; S621-M623 WeakPolarHBondContact CB-O 3.39Å; S621-M623 PolarHBondContact O-N 3.2Å; S621-M623 PolarHBondContact OG-N 2.86Å; S621-M623 PolarHBondContact OG-O 3.06Å; M623-Q636 HydrophobicContact CE-CB 3.8Å; M623-Q636 HydrophobicContact SD-CB 4.05Å; M623-A637 HydrophobicContact CB-CB 4.3Å; M623-N640 WeakPolarHBondContact CB-ND2 3.38Å; M623-N640 VanDerWaalsContact CG-ND2 3.31Å; M623-N640 WeakPolarHBondContact CG-ND2 3.16Å; M623-N640 PolarHBondContact SD-ND2 3.08Å | ||
| 624 | T | 92 | Very high | 91.9 | Very high | 60.3333 Ų | 60.3333 | 38.6 Ų | 38.6 | 37% | 0.37 | 23% | 0.23 | S | C | . | . | trans | -112 | 159.3 | 172.4 | 61.9 | 0 | 0 | 0 | 0 | 109.9 | I612 R613 | I612-T624 CarbonylContact O-C 3.58Å; I612-T624 VanDerWaalsContact O-CA 3.26Å; I612-T624 WeakPolarHBondContact O-CA 3.41Å; I612-T624 WeakPolarHBondContact O-CB 3.27Å; R613-T624 HydrophobicContact CB-CG2 3.94Å; R613-T624 HydrophobicContact CG-CG2 4.17Å | ||
| 625 | Y | 94.6 | Very high | 92 | Very high | 3.66667 Ų | 3.66667 | 41.5 Ų | 41.5 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 170 | 171.8 | 68.1 | -85.5 | 0 | 0 | 0 | 110 | H495 T611 I612 P614 I634 A637 Y638 F836 | H495-Y625 PolarHBondContact CD2-OH 2.92Å; H495-Y625 VanDerWaalsContact CD2-OH 3.26Å; H495-Y625 PolarHBondContact NE2-OH 2.77Å; T611-Y625 CarbonylContact C-O 3.55Å; T611-Y625 WeakPolarHBondContact CA-O 3.28Å; I612-Y625 HydrophobicContact CB-CD1 4.35Å; I612-Y625 HydrophobicContact CB-CD2 4.49Å; I612-Y625 HydrophobicContact CB-CE1 4.01Å; I612-Y625 HydrophobicContact CB-CE2 4.13Å; I612-Y625 HydrophobicContact CD1-CE2 4.09Å; I612-Y625 HydrophobicContact CG2-CE1 3.79Å; I612-Y625 HydrophobicContact CG2-CE2 4.36Å; I612-Y625 WeakPolarHBondContact CG2-OH 3.06Å; I612-Y625 PolarHBondContact N-O 3.18Å; I612-Y625 PolarHBondContact O-N 3.31Å; P614-Y625 HydrophobicContact CB-CE1 4.39Å; P614-Y625 HydrophobicContact CG-CD1 4.46Å; P614-Y625 HydrophobicContact CG-CE1 4.1Å; Y625-I634 HydrophobicContact CD2-CD1 4.33Å; Y625-I634 HydrophobicContact CD2-CG1 3.71Å; Y625-I634 HydrophobicContact CD2-CG2 4.5Å; Y625-I634 HydrophobicContact CE2-CD1 4.49Å; Y625-I634 HydrophobicContact CE2-CG1 4.25Å; Y625-I634 HydrophobicContact CE2-CG2 4.48Å; Y625-I634 HydrophobicContact CG-CG1 4.07Å; Y625-A637 HydrophobicContact CD1-CB 3.73Å; Y625-A637 HydrophobicContact CG-CB 4.48Å; Y625-Y638 HydrophobicContact CD1-CE2 4.39Å; Y625-Y638 HydrophobicContact CE1-CD2 4.3Å; Y625-Y638 AromaticContact CE1-CE2 3.72Å; Y625-Y638 HydrophobicContact CE1-CE2 3.72Å; Y625-Y638 AromaticContact CZ-CE2 3.86Å; Y625-Y638 PolarHBondContact OH-OH 3.22Å; Y625-F836 HydrophobicContact CE2-CE1 4.24Å; Y625-F836 HydrophobicContact CE2-CZ 4.26Å; Y625-F836 WeakPolarHBondContact OH-CZ 3.25Å |
| 626 | T | 92.3 | Very high | 92.1 | Very high | 45.6667 Ų | 45.6667 | 43.8 Ų | 43.8 | 28% | 0.28 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 162.4 | 173.7 | 71.4 | 0 | 0 | 0 | 0 | 110.3 | N610 T611 A628 S629 | N610-T626 VanDerWaalsContact O-CA 3.27Å; N610-T626 WeakPolarHBondContact O-CA 3.39Å; N610-T626 VanDerWaalsContact O-CB 3.27Å; N610-T626 WeakPolarHBondContact O-CB 3.25Å; N610-T626 VanDerWaalsContact O-CG2 3.29Å; N610-T626 WeakPolarHBondContact O-CG2 3.41Å; T611-T626 HydrophobicContact CG2-CG2 4.47Å; T626-A628 PolarHBondContact O-N 3.11Å; T626-A628 VanDerWaalsContact O-N 3.15Å; T626-A628 PolarHBondContact OG1-N 3.17Å; T626-S629 PolarHBondContact N-OG 3.19Å; T626-S629 VanDerWaalsContact O-CB 3.24Å; T626-S629 WeakPolarHBondContact O-CB 3.35Å; T626-S629 PolarHBondContact O-N 3.06Å; T626-S629 PolarHBondContact O-OG 2.98Å; T626-S629 PolarHBondContact OG1-N 2.97Å; T626-S629 VanDerWaalsContact OG1-N 3.14Å; T626-S629 PolarHBondContact OG1-OG 3.17Å; T626-S629 VanDerWaalsContact OG1-OG 3.12Å |
| 627 | L | 88.3 | Confident | 92.2 | Very high | 29 Ų | 29 | 43.5 Ų | 43.5 | 15% | 0.152 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.4 | 174.6 | -63.9 | 174 | 0 | 0 | 0 | 112.7 | H495 V499 F608 I612 K828 F833 | H495-L627 HydrophobicContact CB-CD2 3.59Å; V499-L627 HydrophobicContact CG2-CD1 3.97Å; F608-L627 HydrophobicContact CZ-CD1 3.86Å; F608-L627 HydrophobicContact CZ-CG 4.29Å; I612-L627 HydrophobicContact CD1-CD2 3.58Å; I612-L627 HydrophobicContact CD1-CG 4.08Å; L627-K828 PolarHBondContact O-NZ 2.77Å; L627-K828 VanDerWaalsContact O-NZ 3.15Å; L627-F833 HydrophobicContact CB-CE1 3.82Å; L627-F833 HydrophobicContact CB-CZ 3.79Å; L627-F833 HydrophobicContact CD1-CE1 4.44Å |
| 628 | A | 89.4 | Confident | 92.6 | Very high | 78 Ų | 78 | 42.5 Ų | 42.5 | 65% | 0.645 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -16.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T626 | T626-A628 PolarHBondContact O-N 3.11Å; T626-A628 VanDerWaalsContact O-N 3.15Å; T626-A628 PolarHBondContact OG1-N 3.17Å |
| 629 | S | 94.2 | Very high | 93.1 | Very high | 11.6667 Ų | 11.6667 | 40.4 Ų | 40.4 | 8% | 0.082 | 22% | 0.216 | C | C | . | . | trans | -55.2 | 148.5 | -174.6 | -81 | 0 | 0 | 0 | 0 | 113.6 | T626 E633 K828 | T626-S629 PolarHBondContact N-OG 3.19Å; T626-S629 VanDerWaalsContact O-CB 3.24Å; T626-S629 WeakPolarHBondContact O-CB 3.35Å; T626-S629 PolarHBondContact O-N 3.06Å; T626-S629 PolarHBondContact O-OG 2.98Å; T626-S629 PolarHBondContact OG1-N 2.97Å; T626-S629 VanDerWaalsContact OG1-N 3.14Å; T626-S629 PolarHBondContact OG1-OG 3.17Å; T626-S629 VanDerWaalsContact OG1-OG 3.12Å; S629-E633 WeakPolarHBondContact CA-OE2 3.33Å; S629-E633 WeakPolarHBondContact CB-OE2 3.3Å; S629-E633 PolarHBondContact OG-OE2 3.2Å; S629-K828 VanDerWaalsContact O-CE 3.25Å; S629-K828 WeakPolarHBondContact O-CE 3.43Å; S629-K828 PolarHBondContact O-NZ 2.87Å | ||
| 630 | T | 95.2 | Very high | 93.2 | Very high | 74 Ų | 74 | 40 Ų | 40 | 45% | 0.454 | 21% | 0.214 | S | C | . | . | trans | -64.8 | 159.8 | 179.6 | 65.1 | 0 | 0 | 0 | 0 | 111.9 | N632 E633 I634 | T630-N632 PolarHBondContact O-N 2.97Å; T630-E633 VanDerWaalsContact CB-OE1 3.29Å; T630-E633 WeakPolarHBondContact CB-OE1 3.33Å; T630-E633 WeakPolarHBondContact CG2-OE1 3.3Å; T630-E633 PolarHBondContact N-OE1 2.79Å; T630-E633 PolarHBondContact N-OE2 2.98Å; T630-E633 PolarHBondContact O-N 2.9Å; T630-E633 VanDerWaalsContact O-N 3.1Å; T630-E633 VanDerWaalsContact OG1-CD 3.25Å; T630-E633 WeakPolarHBondContact OG1-CG 3.46Å; T630-E633 PolarHBondContact OG1-N 3.17Å; T630-E633 PolarHBondContact OG1-OE1 3.28Å; T630-I634 WeakPolarHBondContact O-CG1 3.33Å; T630-I634 PolarHBondContact O-N 3.18Å | ||
| 631 | E | 95.9 | Very high | 93.3 | Very high | 87 Ų | 87 | 39.8 Ų | 39.8 | 41% | 0.407 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -55.8 | -33 | 174.8 | -69.4 | -174.6 | 152.1 | 0 | 0 | 112.3 | R635 I826 T827 K828 | E631-R635 WeakPolarHBondContact O-CB 3.36Å; E631-R635 PolarHBondContact O-N 2.99Å; E631-I826 HydrophobicContact CB-CB 4.25Å; E631-I826 HydrophobicContact CB-CG2 4.25Å; E631-I826 HydrophobicContact CG-CG2 4.18Å; E631-T827 WeakPolarHBondContact OE1-CA 3.34Å; E631-K828 HydrophobicContact CG-CD 4.28Å; E631-K828 HydrophobicContact CG-CG 3.97Å; E631-K828 PolarHBondContact OE1-N 3.22Å |
| 632 | N | 96.2 | Very high | 93.3 | Very high | 87 Ų | 87 | 39.9 Ų | 39.9 | 47% | 0.465 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -72.3 | -38.9 | 176.3 | -173.6 | 60.1 | 0 | 0 | 0 | 112.9 | T630 R635 Q636 | T630-N632 PolarHBondContact O-N 2.97Å; N632-R635 WeakPolarHBondContact O-CB 3.28Å; N632-R635 PolarHBondContact O-N 3.23Å; N632-R635 PolarHBondContact OD1-NH1 2.83Å; N632-Q636 WeakPolarHBondContact O-CG 3.36Å; N632-Q636 PolarHBondContact O-N 2.77Å |
| 633 | E | 96.1 | Very high | 93.5 | Very high | 86.3333 Ų | 86.3333 | 37.6 Ų | 37.6 | 40% | 0.403 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 174.8 | -75.4 | 161.5 | -154.8 | 0 | 0 | 111.6 | S629 T630 R635 Q636 A637 | S629-E633 WeakPolarHBondContact CA-OE2 3.33Å; S629-E633 WeakPolarHBondContact CB-OE2 3.3Å; S629-E633 PolarHBondContact OG-OE2 3.2Å; T630-E633 VanDerWaalsContact CB-OE1 3.29Å; T630-E633 WeakPolarHBondContact CB-OE1 3.33Å; T630-E633 WeakPolarHBondContact CG2-OE1 3.3Å; T630-E633 PolarHBondContact N-OE1 2.79Å; T630-E633 PolarHBondContact N-OE2 2.98Å; T630-E633 PolarHBondContact O-N 2.9Å; T630-E633 VanDerWaalsContact O-N 3.1Å; T630-E633 VanDerWaalsContact OG1-CD 3.25Å; T630-E633 WeakPolarHBondContact OG1-CG 3.46Å; T630-E633 PolarHBondContact OG1-N 3.17Å; T630-E633 PolarHBondContact OG1-OE1 3.28Å; E633-R635 VanDerWaalsContact C-N 3.33Å; E633-Q636 PolarHBondContact O-N 2.89Å; E633-A637 PolarHBondContact O-N 3.08Å; E633-A637 VanDerWaalsContact O-N 3.1Å |
| 634 | I | 96.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.9 | -47.3 | 173.8 | -59.5 | 172.8 | 0 | 0 | 0 | 109 | Y625 T630 Q636 A637 Y638 I826 K828 F836 | Y625-I634 HydrophobicContact CD2-CD1 4.33Å; Y625-I634 HydrophobicContact CD2-CG1 3.71Å; Y625-I634 HydrophobicContact CD2-CG2 4.5Å; Y625-I634 HydrophobicContact CE2-CD1 4.49Å; Y625-I634 HydrophobicContact CE2-CG1 4.25Å; Y625-I634 HydrophobicContact CE2-CG2 4.48Å; Y625-I634 HydrophobicContact CG-CG1 4.07Å; T630-I634 WeakPolarHBondContact O-CG1 3.33Å; T630-I634 PolarHBondContact O-N 3.18Å; I634-Q636 VanDerWaalsContact C-N 3.32Å; I634-Q636 PolarHBondContact O-N 3.07Å; I634-A637 WeakPolarHBondContact O-CB 3.39Å; I634-A637 PolarHBondContact O-N 2.98Å; I634-A637 VanDerWaalsContact O-N 3.11Å; I634-Y638 HydrophobicContact CG2-CD2 3.81Å; I634-Y638 HydrophobicContact CG2-CE2 3.78Å; I634-Y638 WeakPolarHBondContact O-CD2 3.25Å; I634-Y638 PolarHBondContact O-N 3.1Å; I634-Y638 VanDerWaalsContact O-N 3.07Å; I634-I826 HydrophobicContact CB-CG1 4.19Å; I634-I826 HydrophobicContact CB-CG2 4.3Å; I634-I826 HydrophobicContact CD1-CG2 4.48Å; I634-I826 HydrophobicContact CG2-CD1 3.82Å; I634-I826 HydrophobicContact CG2-CG1 3.91Å; I634-I826 HydrophobicContact CG2-CG2 4.11Å; I634-K828 VanDerWaalsContact CD1-CE 3.47Å; I634-F836 HydrophobicContact CG2-CD2 4.22Å; I634-F836 HydrophobicContact CG2-CE2 3.71Å; I634-F836 HydrophobicContact CG2-CZ 3.92Å |
| 635 | R | 96.3 | Very high | 93.5 | Very high | 59.3333 Ų | 59.3333 | 33.1 Ų | 33.1 | 22% | 0.224 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -53.1 | -47.6 | 176.6 | 169.3 | 177.2 | 171.7 | -97.6 | -3.1 | 111.7 | E631 N632 E633 A637 Y638 L639 D823 I824 I826 | E631-R635 WeakPolarHBondContact O-CB 3.36Å; E631-R635 PolarHBondContact O-N 2.99Å; N632-R635 WeakPolarHBondContact O-CB 3.28Å; N632-R635 PolarHBondContact O-N 3.23Å; N632-R635 PolarHBondContact OD1-NH1 2.83Å; E633-R635 VanDerWaalsContact C-N 3.33Å; R635-A637 PolarHBondContact O-N 3.09Å; R635-Y638 PolarHBondContact O-N 2.72Å; R635-L639 WeakPolarHBondContact O-CB 3.41Å; R635-L639 PolarHBondContact O-N 3.22Å; R635-D823 IonicContact CZ-OD1 2.84Å; R635-D823 VanDerWaalsContact CZ-OD1 3.24Å; R635-D823 IonicContact CZ-OD2 2.75Å; R635-D823 IonicContact NE-OD1 3.06Å; R635-D823 PolarHBondContact NE-OD1 3.07Å; R635-D823 IonicContact NE-OD2 2.79Å; R635-D823 VanDerWaalsContact NH2-CG 3.33Å; R635-D823 IonicContact NH2-OD1 3.12Å; R635-D823 PolarHBondContact NH2-OD1 3.13Å; R635-D823 IonicContact NH2-OD2 3.06Å; R635-D823 PolarHBondContact NH2-OD2 3.24Å; R635-I824 WeakPolarHBondContact CD-O 3.29Å; R635-I824 HydrophobicContact CG-CB 4.34Å; R635-I824 HydrophobicContact CG-CG2 4.49Å; R635-I824 WeakPolarHBondContact CG-O 3.38Å; R635-I824 PolarHBondContact NE-O 3.21Å; R635-I824 VanDerWaalsContact NE-O 3.14Å; R635-I826 HydrophobicContact CB-CG1 3.81Å |
| 636 | Q | 94.7 | Very high | 93.2 | Very high | 55.6667 Ų | 55.6667 | 33.6 Ų | 33.6 | 26% | 0.26 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 178.4 | -67.7 | -52.4 | -61.7 | 0 | 0 | 112 | M623 N632 E633 I634 Y638 L639 N640 | M623-Q636 HydrophobicContact CE-CB 3.8Å; M623-Q636 HydrophobicContact SD-CB 4.05Å; N632-Q636 WeakPolarHBondContact O-CG 3.36Å; N632-Q636 PolarHBondContact O-N 2.77Å; E633-Q636 PolarHBondContact O-N 2.89Å; I634-Q636 VanDerWaalsContact C-N 3.32Å; I634-Q636 PolarHBondContact O-N 3.07Å; Q636-Y638 VanDerWaalsContact C-N 3.29Å; Q636-Y638 PolarHBondContact O-N 2.86Å; Q636-L639 PolarHBondContact O-N 2.84Å; Q636-N640 WeakPolarHBondContact O-CB 3.49Å; Q636-N640 PolarHBondContact O-N 3.02Å; Q636-N640 VanDerWaalsContact O-N 3.1Å; Q636-N640 PolarHBondContact O-ND2 3.11Å; Q636-N640 VanDerWaalsContact O-ND2 3.1Å; Q636-N640 PolarHBondContact O-OD1 2.64Å |
| 637 | A | 94.9 | Very high | 93 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60 | -37.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | P614 S621 M623 Y625 E633 I634 R635 | P614-A637 HydrophobicContact CG-CB 4.08Å; P614-A637 WeakPolarHBondContact CG-O 3.42Å; S621-A637 VanDerWaalsContact CB-O 3.24Å; S621-A637 WeakPolarHBondContact CB-O 3.29Å; S621-A637 PolarHBondContact OG-O 3.27Å; M623-A637 HydrophobicContact CB-CB 4.3Å; Y625-A637 HydrophobicContact CD1-CB 3.73Å; Y625-A637 HydrophobicContact CG-CB 4.48Å; E633-A637 PolarHBondContact O-N 3.08Å; E633-A637 VanDerWaalsContact O-N 3.1Å; I634-A637 WeakPolarHBondContact O-CB 3.39Å; I634-A637 PolarHBondContact O-N 2.98Å; I634-A637 VanDerWaalsContact O-N 3.11Å; R635-A637 PolarHBondContact O-N 3.09Å |
| 638 | Y | 95.6 | Very high | 92.9 | Very high | 1.66667 Ų | 1.66667 | 33.1 Ų | 33.1 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -79.3 | -38.8 | 175 | -79.8 | -98.7 | 0 | 0 | 0 | 113 | P614 Y625 I634 R635 Q636 N640 L641 I826 F836 V838 F852 | P614-Y638 HydrophobicContact CB-CD1 4.29Å; P614-Y638 HydrophobicContact CB-CD2 4.32Å; P614-Y638 HydrophobicContact CB-CE1 3.92Å; P614-Y638 HydrophobicContact CB-CE2 3.96Å; P614-Y638 HydrophobicContact CB-CG 4.48Å; P614-Y638 HydrophobicContact CG-CD2 4.18Å; P614-Y638 HydrophobicContact CG-CE2 4.17Å; P614-Y638 HydrophobicContact CG-CG 4.47Å; Y625-Y638 HydrophobicContact CD1-CE2 4.39Å; Y625-Y638 HydrophobicContact CE1-CD2 4.3Å; Y625-Y638 AromaticContact CE1-CE2 3.72Å; Y625-Y638 HydrophobicContact CE1-CE2 3.72Å; Y625-Y638 AromaticContact CZ-CE2 3.86Å; Y625-Y638 PolarHBondContact OH-OH 3.22Å; I634-Y638 HydrophobicContact CG2-CD2 3.81Å; I634-Y638 HydrophobicContact CG2-CE2 3.78Å; I634-Y638 WeakPolarHBondContact O-CD2 3.25Å; I634-Y638 PolarHBondContact O-N 3.1Å; I634-Y638 VanDerWaalsContact O-N 3.07Å; R635-Y638 PolarHBondContact O-N 2.72Å; Q636-Y638 VanDerWaalsContact C-N 3.29Å; Q636-Y638 PolarHBondContact O-N 2.86Å; Y638-N640 VanDerWaalsContact C-N 3.28Å; Y638-N640 PolarHBondContact O-N 3.07Å; Y638-L641 HydrophobicContact CD1-CD1 4.44Å; Y638-L641 WeakPolarHBondContact O-CB 3.23Å; Y638-L641 PolarHBondContact O-N 3.06Å; Y638-L641 VanDerWaalsContact O-N 3.15Å; Y638-I826 HydrophobicContact CD2-CD1 4.45Å; Y638-F836 AromaticContact CE2-CE2 3.82Å; Y638-F836 HydrophobicContact CE2-CE2 3.82Å; Y638-F836 AromaticContact CE2-CZ 3.88Å; Y638-F836 HydrophobicContact CE2-CZ 3.88Å; Y638-F836 AromaticContact CZ-CE2 3.95Å; Y638-F836 AromaticContact CZ-CZ 3.99Å; Y638-V838 HydrophobicContact CD1-CG1 4.15Å; Y638-V838 HydrophobicContact CD1-CG2 4.19Å; Y638-V838 HydrophobicContact CE1-CG2 3.95Å; Y638-F852 HydrophobicContact CD1-CB 4.38Å; Y638-F852 AromaticContact CD1-CD1 3.59Å; Y638-F852 HydrophobicContact CD1-CD1 3.59Å; Y638-F852 AromaticContact CD1-CD2 3.97Å; Y638-F852 HydrophobicContact CD1-CD2 3.99Å; Y638-F852 AromaticContact CD1-CE1 3.76Å; Y638-F852 HydrophobicContact CD1-CE1 3.76Å; Y638-F852 HydrophobicContact CD1-CE2 4.14Å; Y638-F852 AromaticContact CD1-CG 3.72Å; Y638-F852 HydrophobicContact CD1-CG 3.72Å; Y638-F852 AromaticContact CD1-CZ 4Å; Y638-F852 HydrophobicContact CD1-CZ 4.04Å; Y638-F852 HydrophobicContact CE1-CB 3.71Å; Y638-F852 AromaticContact CE1-CD1 3.8Å; Y638-F852 HydrophobicContact CE1-CD1 3.8Å; Y638-F852 AromaticContact CE1-CD2 3.92Å; Y638-F852 HydrophobicContact CE1-CD2 3.92Å; Y638-F852 HydrophobicContact CE1-CE1 4.41Å; Y638-F852 HydrophobicContact CE1-CE2 4.47Å; Y638-F852 AromaticContact CE1-CG 3.53Å; Y638-F852 HydrophobicContact CE1-CG 3.53Å |
| 639 | L | 93.1 | Very high | 92.7 | Very high | 5.33333 Ų | 5.33333 | 32.2 Ų | 32.2 | 3% | 0.028 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.4 | -37.5 | -178.6 | -172.1 | 61.4 | 0 | 0 | 0 | 112 | R635 Q636 L641 G642 F821 I824 | R635-L639 WeakPolarHBondContact O-CB 3.41Å; R635-L639 PolarHBondContact O-N 3.22Å; Q636-L639 PolarHBondContact O-N 2.84Å; L639-L641 PolarHBondContact O-N 2.96Å; L639-G642 PolarHBondContact O-N 3.08Å; L639-F821 HydrophobicContact CD1-CB 4.2Å; L639-F821 WeakPolarHBondContact CD1-O 3.44Å; L639-I824 HydrophobicContact CB-CB 4.45Å; L639-I824 HydrophobicContact CB-CG1 4.31Å; L639-I824 HydrophobicContact CD1-CB 4.4Å; L639-I824 HydrophobicContact CD1-CG1 4.05Å |
| 640 | N | 91.9 | Very high | 92.4 | Very high | 12.6667 Ų | 12.6667 | 31.6 Ų | 31.6 | 7% | 0.068 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -62.7 | -21.4 | 177.6 | -72.8 | -17.9 | 0 | 0 | 0 | 114.8 | Y622 M623 Q636 Y638 G642 S643 | Y622-N640 HydrophobicContact CD1-CB 4.21Å; Y622-N640 HydrophobicContact CD2-CB 4.48Å; Y622-N640 HydrophobicContact CE1-CB 3.64Å; Y622-N640 HydrophobicContact CE2-CB 4.01Å; Y622-N640 VanDerWaalsContact CE2-CG 3.42Å; Y622-N640 VanDerWaalsContact CE2-ND2 3.29Å; Y622-N640 WeakPolarHBondContact CE2-ND2 3.38Å; Y622-N640 VanDerWaalsContact CZ-OD1 3.25Å; Y622-N640 VanDerWaalsContact OH-CG 3.28Å; Y622-N640 PolarHBondContact OH-OD1 2.97Å; Y622-N640 VanDerWaalsContact OH-OD1 3.06Å; M623-N640 WeakPolarHBondContact CB-ND2 3.38Å; M623-N640 VanDerWaalsContact CG-ND2 3.31Å; M623-N640 WeakPolarHBondContact CG-ND2 3.16Å; M623-N640 PolarHBondContact SD-ND2 3.08Å; Q636-N640 WeakPolarHBondContact O-CB 3.49Å; Q636-N640 PolarHBondContact O-N 3.02Å; Q636-N640 VanDerWaalsContact O-N 3.1Å; Q636-N640 PolarHBondContact O-ND2 3.11Å; Q636-N640 VanDerWaalsContact O-ND2 3.1Å; Q636-N640 PolarHBondContact O-OD1 2.64Å; Y638-N640 VanDerWaalsContact C-N 3.28Å; Y638-N640 PolarHBondContact O-N 3.07Å; N640-G642 PolarHBondContact O-N 2.93Å; N640-S643 PolarHBondContact O-N 3.05Å; N640-S643 VanDerWaalsContact O-N 3.12Å |
| 641 | L | 93.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 30.3 Ų | 30.3 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -66.2 | -17 | 173.5 | -71 | 163.3 | 0 | 0 | 0 | 112.1 | P614 M619 Y620 S621 Y638 L639 P817 F821 F852 | P614-L641 HydrophobicContact CB-CD1 4.02Å; P614-L641 HydrophobicContact CG-CD1 4.17Å; M619-L641 VanDerWaalsContact O-CD2 3.29Å; M619-L641 WeakPolarHBondContact O-CD2 3.45Å; Y620-L641 VanDerWaalsContact C-CD2 3.43Å; S621-L641 VanDerWaalsContact N-CD2 3.3Å; Y638-L641 HydrophobicContact CD1-CD1 4.44Å; Y638-L641 WeakPolarHBondContact O-CB 3.23Å; Y638-L641 PolarHBondContact O-N 3.06Å; Y638-L641 VanDerWaalsContact O-N 3.15Å; L639-L641 PolarHBondContact O-N 2.96Å; L641-P817 VanDerWaalsContact O-CB 3.25Å; L641-P817 WeakPolarHBondContact O-CB 3.3Å; L641-F821 HydrophobicContact CB-CD2 4.5Å; L641-F821 HydrophobicContact CB-CE2 3.82Å; L641-F852 HydrophobicContact CD1-CD1 4.02Å; L641-F852 HydrophobicContact CD1-CE1 4.14Å |
| 642 | G | 91 | Very high | 91.6 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -104.9 | 15.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | L639 N640 D819 | L639-G642 PolarHBondContact O-N 3.08Å; N640-G642 PolarHBondContact O-N 2.93Å; G642-D819 VanDerWaalsContact CA-O 3.3Å; G642-D819 WeakPolarHBondContact CA-O 3.36Å |
| 643 | S | 91.4 | Very high | 91.2 | Very high | 9.66667 Ų | 9.66667 | 28 Ų | 28 | 7% | 0.068 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -115.7 | 142.5 | -179.4 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | N640 W645 R681 | N640-S643 PolarHBondContact O-N 3.05Å; N640-S643 VanDerWaalsContact O-N 3.12Å; S643-W645 PolarHBondContact O-N 2.86Å; S643-R681 WeakPolarHBondContact OG-CD 3.28Å |
| 644 | S | 92.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -73.4 | 122.2 | 171.4 | -63.8 | 0 | 0 | 0 | 0 | 110 | V676 A677 G680 R815 F816 P817 | S644-V676 VanDerWaalsContact OG-CG1 3.26Å; S644-V676 WeakPolarHBondContact OG-CG1 3.26Å; S644-A677 WeakPolarHBondContact CB-O 3.35Å; S644-A677 PolarHBondContact OG-O 2.93Å; S644-G680 WeakPolarHBondContact CA-O 3.26Å; S644-G680 WeakPolarHBondContact CB-O 3.24Å; S644-G680 PolarHBondContact N-O 3.05Å; S644-G680 VanDerWaalsContact O-CA 3.31Å; S644-G680 WeakPolarHBondContact O-CA 3.28Å; S644-G680 PolarHBondContact O-N 2.82Å; S644-R815 WeakPolarHBondContact CA-O 3.33Å; S644-F816 WeakPolarHBondContact OG-CD1 3.37Å; S644-P817 WeakPolarHBondContact OG-CD 3.44Å |
| 645 | W | 90.1 | Very high | 90.1 | Very high | 34.6667 Ų | 34.6667 | 33.2 Ų | 33.2 | 13% | 0.131 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -81.5 | 129.1 | 173.4 | 175.3 | 99.1 | 0 | 0 | 0 | 109.9 | E549 K550 N552 Y622 S643 P647 P814 R815 | E549-W645 HydrophobicContact CB-CH2 3.76Å; E549-W645 HydrophobicContact CB-CZ2 4.43Å; E549-W645 HydrophobicContact CG-CH2 3.59Å; E549-W645 HydrophobicContact CG-CZ2 4.05Å; E549-W645 WeakPolarHBondContact O-CH2 3.34Å; E549-W645 WeakPolarHBondContact O-CZ2 3.37Å; E549-W645 PolarHBondContact O-NE1 3.28Å; K550-W645 HydrophobicContact CD-CZ3 3.91Å; N552-W645 HydrophobicContact CB-CH2 4.12Å; N552-W645 HydrophobicContact CB-CZ2 4.1Å; N552-W645 WeakPolarHBondContact OD1-CH2 3.35Å; N552-W645 WeakPolarHBondContact OD1-CZ2 3.23Å; N552-W645 PolarHBondContact OD1-NE1 2.84Å; Y622-W645 HydrophobicContact CD1-CB 4.16Å; Y622-W645 AromaticContact CD1-CE3 3.72Å; Y622-W645 HydrophobicContact CD1-CE3 3.72Å; Y622-W645 HydrophobicContact CD1-CZ3 4.18Å; Y622-W645 HydrophobicContact CD2-CE3 4.28Å; Y622-W645 AromaticContact CD2-CZ3 3.9Å; Y622-W645 HydrophobicContact CD2-CZ3 3.9Å; Y622-W645 HydrophobicContact CE1-CB 4.22Å; Y622-W645 AromaticContact CE1-CE3 4Å; Y622-W645 HydrophobicContact CE1-CE3 4Å; Y622-W645 HydrophobicContact CE1-CZ3 4.48Å; Y622-W645 HydrophobicContact CE2-CZ3 4.23Å; Y622-W645 AromaticContact CG-CE3 3.86Å; Y622-W645 HydrophobicContact CG-CE3 3.86Å; Y622-W645 AromaticContact CG-CZ3 3.87Å; Y622-W645 HydrophobicContact CG-CZ3 3.87Å; S643-W645 PolarHBondContact O-N 2.86Å; W645-P647 HydrophobicContact CH2-CB 4.41Å; W645-P647 HydrophobicContact CH2-CG 4.37Å; W645-P647 HydrophobicContact CZ3-CG 4.16Å; W645-P814 WeakPolarHBondContact O-CA 3.23Å; W645-R815 HydrophobicContact CB-CB 4.2Å; W645-R815 HydrophobicContact CE3-CB 4.18Å; W645-R815 PolarHBondContact N-O 2.82Å; W645-R815 VanDerWaalsContact N-O 3.14Å; W645-R815 PolarHBondContact O-N 2.85Å |
| 646 | C | 88.9 | Confident | 89.9 | Confident | 14.6667 Ų | 14.6667 | 38.7 Ų | 38.7 | 10% | 0.099 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -103.1 | 133.5 | -177.3 | -38.8 | 0 | 0 | 0 | 0 | 111.5 | S648 I651 C679 G680 | C646-S648 PolarHBondContact O-N 2.72Å; C646-I651 HydrophobicContact CB-CD1 4.4Å; C646-I651 HydrophobicContact CB-CG2 4.03Å; C646-C679 HydrophobicContact CB-CB 4.07Å; C646-C679 WeakPolarHBondContact CB-SG 3.22Å; C646-C679 VanDerWaalsContact SG-C 3.57Å; C646-C679 WeakPolarHBondContact SG-CA 3.33Å; C646-C679 WeakPolarHBondContact SG-CB 3.32Å; C646-C679 CovalentContact SG-SG 2.01Å; C646-C679 PolarHBondContact SG-SG 3.16Å; C646-G680 PolarHBondContact SG-N 3.02Å |
| 647 | P | 87.6 | Confident | 89.8 | Confident | 1.33333 Ų | 1.33333 | 40.7 Ų | 40.7 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -51.9 | 137.2 | 163.4 | -22 | 28.4 | 0 | 0 | 0 | 111.6 | E549 W645 K649 L650 I651 W813 | E549-P647 HydrophobicContact CG-CB 4.4Å; E549-P647 WeakPolarHBondContact OE1-CA 3.4Å; E549-P647 WeakPolarHBondContact OE1-CB 3.5Å; W645-P647 HydrophobicContact CH2-CB 4.41Å; W645-P647 HydrophobicContact CH2-CG 4.37Å; W645-P647 HydrophobicContact CZ3-CG 4.16Å; P647-K649 HydrophobicContact CB-CD 4.35Å; P647-K649 HydrophobicContact CB-CG 3.54Å; P647-K649 PolarHBondContact O-N 3.33Å; P647-K649 VanDerWaalsContact O-N 3.13Å; P647-L650 HydrophobicContact CB-CB 4.11Å; P647-L650 HydrophobicContact CG-CB 4.46Å; P647-L650 HydrophobicContact CG-CD1 4.16Å; P647-L650 WeakPolarHBondContact O-CB 3.25Å; P647-L650 PolarHBondContact O-N 2.93Å; P647-I651 PolarHBondContact O-N 3Å; P647-W813 HydrophobicContact CG-CB 3.66Å; P647-W813 WeakPolarHBondContact CG-O 3.27Å |
| 648 | S | 86.6 | Confident | 89.7 | Confident | 62.6667 Ų | 62.6667 | 42.5 Ų | 42.5 | 44% | 0.438 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -55.3 | -34 | 173.8 | 64.7 | 0 | 0 | 0 | 0 | 111.8 | E549 C646 L650 I651 N652 | E549-S648 WeakPolarHBondContact OE1-CB 3.45Å; E549-S648 PolarHBondContact OE1-N 3.07Å; E549-S648 PolarHBondContact OE1-OG 2.95Å; C646-S648 PolarHBondContact O-N 2.72Å; S648-L650 VanDerWaalsContact C-N 3.26Å; S648-L650 PolarHBondContact O-N 2.93Å; S648-I651 PolarHBondContact O-N 3.03Å; S648-N652 CarbonylContact O-C 3.56Å; S648-N652 VanDerWaalsContact O-CA 3.28Å; S648-N652 WeakPolarHBondContact O-CA 3.29Å; S648-N652 WeakPolarHBondContact O-CB 3.3Å; S648-N652 PolarHBondContact O-N 2.79Å |
| 649 | K | 85.6 | Confident | 89.6 | Confident | 59 Ų | 59 | 43.5 Ų | 43.5 | 26% | 0.257 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.8 | -22.5 | 176.7 | -31.5 | 178 | 179.2 | 179.1 | 0 | 114.3 | E545 E546 P647 W813 | E545-K649 IonicContact OE1-NZ 3.26Å; E545-K649 PolarHBondContact OE1-NZ 3.24Å; E546-K649 IonicContact OE1-NZ 3Å; E546-K649 PolarHBondContact OE1-NZ 2.98Å; P647-K649 HydrophobicContact CB-CD 4.35Å; P647-K649 HydrophobicContact CB-CG 3.54Å; P647-K649 PolarHBondContact O-N 3.33Å; P647-K649 VanDerWaalsContact O-N 3.13Å; K649-W813 HydrophobicContact CD-CE3 4.1Å; K649-W813 HydrophobicContact CD-CH2 4.45Å; K649-W813 HydrophobicContact CD-CZ3 3.92Å; K649-W813 HydrophobicContact CG-CE3 4.27Å; K649-W813 HydrophobicContact CG-CZ3 4.13Å |
| 650 | L | 88.4 | Confident | 89.6 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -85.6 | -40 | 178.6 | -146.3 | 94.2 | 0 | 0 | 0 | 112 | P647 S648 L660 F678 C679 F750 T795 I803 V810 W813 P814 | P647-L650 HydrophobicContact CB-CB 4.11Å; P647-L650 HydrophobicContact CG-CB 4.46Å; P647-L650 HydrophobicContact CG-CD1 4.16Å; P647-L650 WeakPolarHBondContact O-CB 3.25Å; P647-L650 PolarHBondContact O-N 2.93Å; S648-L650 VanDerWaalsContact C-N 3.26Å; S648-L650 PolarHBondContact O-N 2.93Å; L650-L660 WeakPolarHBondContact O-CD1 3.36Å; L650-F678 HydrophobicContact CD1-CE1 4.31Å; L650-F678 HydrophobicContact CD2-CD1 4.11Å; L650-F678 HydrophobicContact CD2-CE1 3.73Å; L650-C679 HydrophobicContact CD2-CB 4.3Å; L650-F750 HydrophobicContact CD1-CE2 4.18Å; L650-F750 HydrophobicContact CD1-CZ 4.22Å; L650-F750 HydrophobicContact CD2-CE2 4.24Å; L650-F750 HydrophobicContact CD2-CZ 4.14Å; L650-T795 HydrophobicContact CD1-CG2 3.91Å; L650-T795 HydrophobicContact CD2-CG2 4.25Å; L650-T795 HydrophobicContact CG-CG2 3.84Å; L650-I803 HydrophobicContact CD1-CD1 4.18Å; L650-I803 HydrophobicContact CD1-CG2 4.1Å; L650-I803 HydrophobicContact CD2-CD1 4.36Å; L650-I803 HydrophobicContact CD2-CG2 3.85Å; L650-V810 HydrophobicContact CD1-CG1 4.03Å; L650-V810 HydrophobicContact CD2-CG1 3.73Å; L650-V810 HydrophobicContact CG-CG1 4.42Å; L650-W813 HydrophobicContact CD1-CE3 4.21Å; L650-W813 HydrophobicContact CG-CE3 4.2Å; L650-P814 HydrophobicContact CD1-CG 4.34Å; L650-P814 HydrophobicContact CD2-CG 4.48Å |
| 651 | I | 87.7 | Confident | 89.6 | Confident | 47.3333 Ų | 47.3333 | 45.9 Ų | 45.9 | 24% | 0.243 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -98.6 | -20.7 | -175.8 | 56.8 | 172.3 | 0 | 0 | 0 | 114.3 | C646 P647 S648 P653 L660 C679 | C646-I651 HydrophobicContact CB-CD1 4.4Å; C646-I651 HydrophobicContact CB-CG2 4.03Å; P647-I651 PolarHBondContact O-N 3Å; S648-I651 PolarHBondContact O-N 3.03Å; I651-P653 VanDerWaalsContact C-CD 3.49Å; I651-P653 WeakPolarHBondContact O-CD 3.25Å; I651-L660 WeakPolarHBondContact O-CD2 3.35Å; I651-C679 WeakPolarHBondContact CG2-SG 3.32Å |
| 652 | N | 86.9 | Confident | 89.6 | Confident | 112.667 Ų | 112.667 | 47.3 Ų | 47.3 | 60% | 0.602 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -131.5 | 62.9 | 176.5 | -72 | -51.3 | 0 | 0 | 0 | 110.6 | S648 T654 | S648-N652 CarbonylContact O-C 3.56Å; S648-N652 VanDerWaalsContact O-CA 3.28Å; S648-N652 WeakPolarHBondContact O-CA 3.29Å; S648-N652 WeakPolarHBondContact O-CB 3.3Å; S648-N652 PolarHBondContact O-N 2.79Å; N652-T654 PolarHBondContact O-N 3.42Å |
| 653 | P | 86.3 | Confident | 89.7 | Confident | 12.6667 Ų | 12.6667 | 47.2 Ų | 47.2 | 8% | 0.082 | 25% | 0.248 | C | C | . | . | trans | -61 | 139.6 | 177.2 | 23.7 | -31.5 | 0 | 0 | 0 | 111.6 | I651 F655 Y657 L660 Y797 | I651-P653 VanDerWaalsContact C-CD 3.49Å; I651-P653 WeakPolarHBondContact O-CD 3.25Å; P653-F655 VanDerWaalsContact C-N 3.27Å; P653-F655 HydrophobicContact CB-CD2 4.05Å; P653-F655 HydrophobicContact CB-CE1 4.11Å; P653-F655 HydrophobicContact CB-CE2 3.49Å; P653-F655 HydrophobicContact CB-CZ 3.52Å; P653-F655 HydrophobicContact CG-CE2 4.17Å; P653-F655 HydrophobicContact CG-CZ 4.5Å; P653-F655 PolarHBondContact O-N 3.07Å; P653-F655 VanDerWaalsContact O-N 3.13Å; P653-Y657 HydrophobicContact CG-CD1 3.76Å; P653-Y657 HydrophobicContact CG-CE1 3.77Å; P653-L660 HydrophobicContact CG-CD1 4Å; P653-L660 HydrophobicContact CG-CD2 4.37Å; P653-Y797 HydrophobicContact CB-CE2 4.49Å; P653-Y797 HydrophobicContact CG-CD2 4.34Å; P653-Y797 HydrophobicContact CG-CE2 4.03Å | ||
| 654 | T | 84.4 | Confident | 89.7 | Confident | 145.333 Ų | 145.333 | 49.8 Ų | 49.8 | 89% | 0.892 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -73.7 | -11.9 | -175 | 54.5 | 0 | 0 | 0 | 0 | 114.3 | N652 | N652-T654 PolarHBondContact O-N 3.42Š|
| 655 | F | 85.8 | Confident | 89.5 | Confident | 50.6667 Ų | 50.6667 | 55.8 Ų | 55.8 | 22% | 0.222 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -101.4 | 157.3 | 179.4 | 38.8 | -94 | 0 | 0 | 0 | 111.6 | P653 Y657 Y797 K801 I803 | P653-F655 VanDerWaalsContact C-N 3.27Å; P653-F655 HydrophobicContact CB-CD2 4.05Å; P653-F655 HydrophobicContact CB-CE1 4.11Å; P653-F655 HydrophobicContact CB-CE2 3.49Å; P653-F655 HydrophobicContact CB-CZ 3.52Å; P653-F655 HydrophobicContact CG-CE2 4.17Å; P653-F655 HydrophobicContact CG-CZ 4.5Å; P653-F655 PolarHBondContact O-N 3.07Å; P653-F655 VanDerWaalsContact O-N 3.13Å; F655-Y657 WeakPolarHBondContact O-CD1 3.16Å; F655-Y797 HydrophobicContact CD2-CE2 4.36Å; F655-Y797 VanDerWaalsContact CD2-OH 3.3Å; F655-Y797 WeakPolarHBondContact CD2-OH 3.4Å; F655-Y797 AromaticContact CE2-CE2 3.83Å; F655-Y797 HydrophobicContact CE2-CE2 3.97Å; F655-Y797 AromaticContact CE2-CZ 3.66Å; F655-Y797 WeakPolarHBondContact CE2-OH 3.34Å; F655-K801 HydrophobicContact CD2-CB 4.01Å; F655-K801 HydrophobicContact CE2-CB 4.17Å; F655-K801 HydrophobicContact CG-CB 4.39Å; F655-I803 HydrophobicContact CE2-CG1 4.38Å; F655-I803 HydrophobicContact CZ-CG1 4.35Å |
| 656 | K | 90.6 | Very high | 89.4 | Confident | 175 Ų | 175 | 55.5 Ų | 55.5 | 76% | 0.761 | 30% | 0.299 | S | S | * | . | trans | -68 | 140.3 | -178.4 | -66.5 | -175.3 | 178.2 | -177.5 | 0 | 111.9 | T800 | K656-T800 HydrophobicContact CB-CG2 4.19Å; K656-T800 WeakPolarHBondContact O-CB 3.38Å; K656-T800 VanDerWaalsContact O-CG2 3.31Å; K656-T800 WeakPolarHBondContact O-CG2 3.44Å; K656-T800 PolarHBondContact O-N 3.14Å; K656-T800 VanDerWaalsContact O-N 3.11Å; K656-T800 PolarHBondContact O-OG1 3Å | ||
| 657 | Y | 93 | Very high | 89 | Confident | 98.3333 Ų | 98.3333 | 61.4 Ų | 61.4 | 39% | 0.386 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 161.5 | 175.6 | 58.9 | -89.6 | 0 | 0 | 0 | 111 | P653 F655 L660 Y797 | P653-Y657 HydrophobicContact CG-CD1 3.76Å; P653-Y657 HydrophobicContact CG-CE1 3.77Å; F655-Y657 WeakPolarHBondContact O-CD1 3.16Å; Y657-L660 HydrophobicContact CD2-CB 3.83Å; Y657-L660 HydrophobicContact CE2-CB 3.49Å; Y657-L660 VanDerWaalsContact CE2-CB 3.45Å; Y657-L660 HydrophobicContact CE2-CD2 4.35Å; Y657-Y797 VanDerWaalsContact CB-CE2 3.44Å; Y657-Y797 HydrophobicContact CD1-CE2 4.28Å; Y657-Y797 HydrophobicContact CG-CD2 4.4Å; Y657-Y797 AromaticContact CG-CE2 3.97Å; Y657-Y797 HydrophobicContact CG-CE2 3.97Å |
| 658 | A | 93 | Very high | 88.9 | Confident | 38 Ų | 38 | 64.9 Ų | 64.9 | 31% | 0.314 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -31.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I696 N701 M798 | A658-I696 HydrophobicContact CB-CD1 4.27Å; A658-I696 HydrophobicContact CB-CG2 3.9Å; A658-N701 HydrophobicContact CB-CB 4.16Å; A658-N701 PolarHBondContact N-OD1 3.07Å; A658-M798 PolarHBondContact N-O 3.06Å |
| 659 | V | 93.1 | Very high | 88.8 | Confident | 22.6667 Ų | 22.6667 | 70 Ų | 70 | 14% | 0.137 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 135.7 | -178 | -177.4 | 0 | 0 | 0 | 0 | 109 | F692 I696 Y797 M798 | V659-F692 HydrophobicContact CB-CD1 4.45Å; V659-F692 HydrophobicContact CB-CE1 4.37Å; V659-F692 HydrophobicContact CG1-CD1 4.29Å; V659-F692 HydrophobicContact CG1-CE1 4.27Å; V659-F692 HydrophobicContact CG2-CD1 3.81Å; V659-F692 HydrophobicContact CG2-CE1 4.12Å; V659-I696 HydrophobicContact CG2-CD1 3.47Å; V659-I696 VanDerWaalsContact CG2-CD1 3.46Å; V659-I696 HydrophobicContact CG2-CG1 4.03Å; V659-Y797 CarbonylContact O-C 3.57Å; V659-Y797 WeakPolarHBondContact O-CA 3.39Å; V659-M798 HydrophobicContact CB-CB 4.28Å; V659-M798 PolarHBondContact N-O 3.08Å; V659-M798 PolarHBondContact O-N 3.05Å |
| 660 | L | 93.4 | Very high | 88.9 | Confident | 41.3333 Ų | 41.3333 | 69 Ų | 69 | 22% | 0.216 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 117.9 | 163.1 | 179.4 | 89 | 0 | 0 | 0 | 106.1 | L650 I651 P653 Y657 V796 Y797 | L650-L660 WeakPolarHBondContact O-CD1 3.36Å; I651-L660 WeakPolarHBondContact O-CD2 3.35Å; P653-L660 HydrophobicContact CG-CD1 4Å; P653-L660 HydrophobicContact CG-CD2 4.37Å; Y657-L660 HydrophobicContact CD2-CB 3.83Å; Y657-L660 HydrophobicContact CE2-CB 3.49Å; Y657-L660 VanDerWaalsContact CE2-CB 3.45Å; Y657-L660 HydrophobicContact CE2-CD2 4.35Å; L660-V796 CarbonylContact C-O 3.56Å; L660-V796 VanDerWaalsContact CA-O 3.25Å; L660-V796 WeakPolarHBondContact CA-O 3.3Å; L660-Y797 HydrophobicContact CD1-CD2 4.22Å |
| 661 | D | 92.9 | Very high | 89 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 14% | 0.139 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 104.7 | -179.8 | -167.2 | -0.2 | 0 | 0 | 0 | 108.8 | F663 Y690 T795 V796 | D661-F663 VanDerWaalsContact C-N 3.34Å; D661-F663 WeakPolarHBondContact OD1-CA 3.39Å; D661-F663 WeakPolarHBondContact OD1-CD1 3.47Å; D661-F663 PolarHBondContact OD1-N 3.01Å; D661-F663 VanDerWaalsContact OD1-N 3.11Å; D661-F663 VanDerWaalsContact OD2-CE1 3.23Å; D661-F663 WeakPolarHBondContact OD2-CE1 3.28Å; D661-Y690 HydrophobicContact CB-CE2 4.39Å; D661-Y690 WeakPolarHBondContact CB-OH 3.41Å; D661-Y690 VanDerWaalsContact OD2-CE2 3.3Å; D661-Y690 WeakPolarHBondContact OD2-CE2 3.39Å; D661-Y690 PolarHBondContact OD2-OH 3.16Å; D661-T795 CarbonylContact O-C 3.5Å; D661-T795 VanDerWaalsContact O-CA 3.29Å; D661-T795 WeakPolarHBondContact O-CA 3.36Å; D661-T795 PolarHBondContact O-N 3.12Å; D661-V796 HydrophobicContact CB-CB 4.46Å; D661-V796 PolarHBondContact N-O 2.99Å; D661-V796 PolarHBondContact O-N 3.32Å |
| 662 | D | 91.6 | Very high | 89.1 | Confident | 37 Ų | 37 | 68.5 Ų | 68.5 | 20% | 0.198 | 37% | 0.373 | C | S | . | . | trans | -93.3 | 4.4 | 172.7 | 61.8 | 1.4 | 0 | 0 | 0 | 111.9 | E664 | D662-E664 PolarHBondContact O-N 2.92Å; D662-E664 PolarHBondContact OD1-N 2.96Å | ||
| 663 | F | 93.3 | Very high | 89 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 35% | 0.35 | C | S | . | . | S | Bend | trans | 61.9 | -1.6 | 178.7 | -55 | -75.1 | 0 | 0 | 0 | 117.1 | D661 T665 S666 L668 V671 Q682 T684 L687 Y690 L793 V796 | D661-F663 VanDerWaalsContact C-N 3.34Å; D661-F663 WeakPolarHBondContact OD1-CA 3.39Å; D661-F663 WeakPolarHBondContact OD1-CD1 3.47Å; D661-F663 PolarHBondContact OD1-N 3.01Å; D661-F663 VanDerWaalsContact OD1-N 3.11Å; D661-F663 VanDerWaalsContact OD2-CE1 3.23Å; D661-F663 WeakPolarHBondContact OD2-CE1 3.28Å; F663-T665 VanDerWaalsContact C-N 3.25Å; F663-T665 PolarHBondContact O-N 3.05Å; F663-S666 WeakPolarHBondContact O-CB 2.99Å; F663-S666 PolarHBondContact O-N 3.29Å; F663-L668 HydrophobicContact CE1-CD1 4.3Å; F663-V671 HydrophobicContact CB-CG2 4.43Å; F663-V671 HydrophobicContact CD1-CG2 4.4Å; F663-Q682 PolarHBondContact O-OE1 2.78Å; F663-T684 HydrophobicContact CD1-CG2 3.33Å; F663-T684 HydrophobicContact CD2-CG2 4.11Å; F663-T684 HydrophobicContact CE1-CG2 3.29Å; F663-T684 HydrophobicContact CE2-CG2 4.08Å; F663-T684 HydrophobicContact CG-CG2 3.74Å; F663-T684 HydrophobicContact CZ-CG2 3.68Å; F663-L687 HydrophobicContact CE1-CD2 4.48Å; F663-Y690 HydrophobicContact CE1-CD2 4.33Å; F663-Y690 AromaticContact CE1-CE2 3.83Å; F663-Y690 HydrophobicContact CE1-CE2 3.83Å; F663-Y690 AromaticContact CZ-CD2 3.99Å; F663-Y690 HydrophobicContact CZ-CD2 4.02Å; F663-Y690 AromaticContact CZ-CE2 3.73Å; F663-Y690 HydrophobicContact CZ-CE2 3.73Å; F663-L793 WeakPolarHBondContact CE2-O 3.29Å; F663-L793 HydrophobicContact CZ-CD2 4.44Å; F663-V796 HydrophobicContact CE2-CG2 4.07Å; F663-V796 HydrophobicContact CZ-CG2 3.96Å |
| 664 | E | 91.6 | Very high | 88.7 | Confident | 64.3333 Ų | 64.3333 | 66.2 Ų | 66.2 | 30% | 0.301 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.8 | 179.7 | -65.6 | -59.1 | 120.9 | 0 | 0 | 113.9 | D662 G680 R681 Q682 | D662-E664 PolarHBondContact O-N 2.92Å; D662-E664 PolarHBondContact OD1-N 2.96Å; E664-G680 WeakPolarHBondContact OE1-CA 3.46Å; E664-R681 VanDerWaalsContact CD-N 3.3Å; E664-R681 PolarHBondContact OE1-N 2.86Å; E664-R681 PolarHBondContact OE2-N 2.97Å; E664-Q682 PolarHBondContact O-OE1 2.99Å; E664-Q682 WeakPolarHBondContact OE1-CA 3.32Å; E664-Q682 VanDerWaalsContact OE1-CB 3.25Å; E664-Q682 WeakPolarHBondContact OE1-CB 3.25Å; E664-Q682 WeakPolarHBondContact OE1-CG 3.3Å; E664-Q682 PolarHBondContact OE1-N 3.23Å |
| 665 | T | 89 | Confident | 88.8 | Confident | 128.333 Ų | 128.333 | 59.9 Ų | 59.9 | 79% | 0.787 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.8 | 7 | 176.4 | 60.3 | 0 | 0 | 0 | 0 | 113.2 | F663 | F663-T665 VanDerWaalsContact C-N 3.25Å; F663-T665 PolarHBondContact O-N 3.05Å |
| 666 | S | 86.5 | Confident | 89 | Confident | 27.3333 Ų | 27.3333 | 58.7 Ų | 58.7 | 19% | 0.191 | 32% | 0.317 | C | S | . | . | trans | -79.4 | 139.3 | -172.6 | -173.8 | 0 | 0 | 0 | 0 | 112.2 | F663 L668 | F663-S666 WeakPolarHBondContact O-CB 2.99Å; F663-S666 PolarHBondContact O-N 3.29Å; S666-L668 WeakPolarHBondContact OG-CG 3.12Å | ||
| 667 | T | 82.5 | Confident | 89.1 | Confident | 139 Ų | 139 | 50.4 Ų | 50.4 | 85% | 0.853 | 28% | 0.281 | S | S | * | . | trans | -100.7 | 12.6 | 178.9 | 58.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 668 | L | 85.2 | Confident | 89.1 | Confident | 76 Ų | 76 | 45.7 Ų | 45.7 | 40% | 0.398 | 26% | 0.263 | S | S | . | . | trans | -65.3 | 136.3 | 177.1 | -64.5 | 171.4 | 0 | 0 | 0 | 110.4 | F663 S666 T670 V671 L687 | F663-L668 HydrophobicContact CE1-CD1 4.3Å; S666-L668 WeakPolarHBondContact OG-CG 3.12Å; L668-T670 PolarHBondContact O-N 3.29Å; L668-T670 VanDerWaalsContact O-N 3.11Å; L668-V671 HydrophobicContact CB-CG2 4.04Å; L668-V671 WeakPolarHBondContact O-CB 3.32Å; L668-V671 WeakPolarHBondContact O-CG2 3.12Å; L668-V671 PolarHBondContact O-N 3.11Å; L668-L687 HydrophobicContact CD1-CD2 4.24Å | ||
| 669 | N | 84.1 | Confident | 89.1 | Confident | 169.667 Ų | 169.667 | 44 Ų | 44 | 91% | 0.907 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -11.6 | 176.4 | -36 | -21 | 0 | 0 | 0 | 113.6 | ||
| 670 | T | 87.9 | Confident | 89 | Confident | 38.3333 Ų | 38.3333 | 43.5 Ų | 43.5 | 24% | 0.235 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -11.5 | 174.8 | 51.6 | 0 | 0 | 0 | 0 | 113.2 | L668 T672 T684 F685 L687 | L668-T670 PolarHBondContact O-N 3.29Å; L668-T670 VanDerWaalsContact O-N 3.11Å; T670-T672 PolarHBondContact O-N 3.22Å; T670-T684 CarbonylContact O-C 3.58Å; T670-T684 WeakPolarHBondContact O-CA 3.42Å; T670-F685 WeakPolarHBondContact CB-O 3.45Å; T670-F685 PolarHBondContact O-N 2.35Å; T670-L687 HydrophobicContact CG2-CB 4.33Å; T670-L687 HydrophobicContact CG2-CD1 4.34Å |
| 671 | V | 91 | Very high | 88.8 | Confident | 27.6667 Ų | 27.6667 | 43.8 Ų | 43.8 | 17% | 0.168 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 131.4 | 179.9 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | F663 L668 Q682 S683 T684 | F663-V671 HydrophobicContact CB-CG2 4.43Å; F663-V671 HydrophobicContact CD1-CG2 4.4Å; L668-V671 HydrophobicContact CB-CG2 4.04Å; L668-V671 WeakPolarHBondContact O-CB 3.32Å; L668-V671 WeakPolarHBondContact O-CG2 3.12Å; L668-V671 PolarHBondContact O-N 3.11Å; V671-Q682 HydrophobicContact CG1-CB 3.79Å; V671-Q682 HydrophobicContact CG1-CG 4.16Å; V671-S683 CarbonylContact C-O 3.49Å; V671-T684 HydrophobicContact CG2-CG2 4.29Å |
| 672 | T | 88 | Confident | 88.7 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 5% | 0.049 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 163.4 | -175.9 | -162.7 | 0 | 0 | 0 | 0 | 112.6 | T670 E674 Q682 S683 F685 F792 K843 | T670-T672 PolarHBondContact O-N 3.22Å; T672-E674 HydrophobicContact CG2-CB 4.33Å; T672-E674 WeakPolarHBondContact OG1-CB 3.18Å; T672-E674 VanDerWaalsContact OG1-CG 3.25Å; T672-E674 WeakPolarHBondContact OG1-CG 3.22Å; T672-E674 PolarHBondContact OG1-N 3.13Å; T672-E674 PolarHBondContact OG1-OE1 3.18Å; T672-E674 PolarHBondContact OG1-OE2 3.04Å; T672-Q682 WeakPolarHBondContact O-CA 3.37Å; T672-S683 WeakPolarHBondContact CG2-O 3.34Å; T672-S683 PolarHBondContact N-O 3.35Å; T672-S683 PolarHBondContact O-N 3.06Å; T672-S683 VanDerWaalsContact O-N 3.11Å; T672-F685 HydrophobicContact CG2-CB 3.69Å; T672-F792 HydrophobicContact CG2-CD1 4.27Å; T672-F792 HydrophobicContact CG2-CE1 4.06Å; T672-K843 PolarHBondContact OG1-NZ 3.49Å |
| 673 | T | 85.9 | Confident | 88.8 | Confident | 17 Ų | 17 | 43.2 Ų | 43.2 | 10% | 0.104 | 24% | 0.241 | C | C | . | . | trans | -126.7 | 29.8 | 174 | 58.3 | 0 | 0 | 0 | 0 | 110.6 | R681 Q682 I820 S822 K843 | T673-R681 HydrophobicContact CG2-CG 4.36Å; T673-Q682 HydrophobicContact CG2-CG 4.02Å; T673-I820 VanDerWaalsContact O-CD1 3.26Å; T673-I820 WeakPolarHBondContact O-CD1 3.43Å; T673-S822 PolarHBondContact O-OG 3.23Å; T673-K843 PolarHBondContact OG1-NZ 2.84Å | ||
| 674 | E | 79.7 | Confident | 88.9 | Confident | 59.3333 Ų | 59.3333 | 43.2 Ų | 43.2 | 28% | 0.277 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -90.6 | -18.8 | -175 | -74.6 | 166.4 | -157.5 | 0 | 0 | 113.5 | T672 I820 K843 S844 R846 | T672-E674 HydrophobicContact CG2-CB 4.33Å; T672-E674 WeakPolarHBondContact OG1-CB 3.18Å; T672-E674 VanDerWaalsContact OG1-CG 3.25Å; T672-E674 WeakPolarHBondContact OG1-CG 3.22Å; T672-E674 PolarHBondContact OG1-N 3.13Å; T672-E674 PolarHBondContact OG1-OE1 3.18Å; T672-E674 PolarHBondContact OG1-OE2 3.04Å; E674-I820 VanDerWaalsContact O-CD1 3.3Å; E674-I820 WeakPolarHBondContact O-CD1 3.46Å; E674-K843 HydrophobicContact CG-CB 4.18Å; E674-K843 HydrophobicContact CG-CD 3.88Å; E674-K843 HydrophobicContact CG-CG 4.03Å; E674-K843 WeakPolarHBondContact OE1-CD 3.38Å; E674-K843 VanDerWaalsContact OE1-CE 3.29Å; E674-K843 WeakPolarHBondContact OE1-CE 3.27Å; E674-K843 IonicContact OE1-NZ 3.21Å; E674-K843 PolarHBondContact OE1-NZ 3.2Å; E674-S844 VanDerWaalsContact CA-OG 3.29Å; E674-S844 WeakPolarHBondContact CA-OG 3.33Å; E674-S844 WeakPolarHBondContact CB-OG 3.02Å; E674-S844 WeakPolarHBondContact CG-OG 3.14Å; E674-S844 PolarHBondContact O-OG 3.12Å; E674-R846 PolarHBondContact O-NH2 2.81Å |
| 675 | T | 85.9 | Confident | 88.8 | Confident | 14.6667 Ų | 14.6667 | 43.1 Ų | 43.1 | 9% | 0.09 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -122.9 | 158.7 | 171.8 | -170.2 | 0 | 0 | 0 | 0 | 109.7 | A677 K709 W748 F792 I820 | T675-A677 PolarHBondContact O-N 3.12Å; T675-A677 VanDerWaalsContact O-N 3.14Å; T675-K709 WeakPolarHBondContact OG1-CE 3.41Å; T675-K709 PolarHBondContact OG1-NZ 3.18Å; T675-K709 VanDerWaalsContact OG1-NZ 3.08Å; T675-W748 HydrophobicContact CG2-CZ2 4.28Å; T675-F792 HydrophobicContact CG2-CB 4.29Å; T675-F792 HydrophobicContact CG2-CD1 3.38Å; T675-F792 VanDerWaalsContact CG2-CD1 3.45Å; T675-F792 HydrophobicContact CG2-CD2 4.13Å; T675-F792 HydrophobicContact CG2-CE1 3.52Å; T675-F792 VanDerWaalsContact CG2-CE1 3.48Å; T675-F792 HydrophobicContact CG2-CE2 4.26Å; T675-F792 HydrophobicContact CG2-CG 3.7Å; T675-F792 HydrophobicContact CG2-CZ 3.97Å; T675-I820 VanDerWaalsContact C-CD1 3.47Å; T675-I820 WeakPolarHBondContact O-CD1 3.49Å |
| 676 | V | 89.9 | Confident | 88.8 | Confident | 24 Ų | 24 | 39 Ų | 39 | 15% | 0.145 | 21% | 0.213 | C | C | . | . | trans | -59.4 | 116.5 | 165.1 | 174.5 | 0 | 0 | 0 | 0 | 108 | S644 K709 W748 F816 P817 I820 | S644-V676 VanDerWaalsContact OG-CG1 3.26Å; S644-V676 WeakPolarHBondContact OG-CG1 3.26Å; V676-K709 PolarHBondContact O-NZ 2.78Å; V676-W748 WeakPolarHBondContact O-CZ2 3.36Å; V676-W748 PolarHBondContact O-NE1 3.08Å; V676-F816 HydrophobicContact CG1-CB 4.27Å; V676-F816 HydrophobicContact CG1-CD1 3.65Å; V676-F816 HydrophobicContact CG1-CE1 4.43Å; V676-F816 HydrophobicContact CG1-CG 4.37Å; V676-P817 HydrophobicContact CG1-CG 4Å; V676-P817 HydrophobicContact CG2-CG 4.18Å; V676-I820 HydrophobicContact CB-CG2 4.33Å; V676-I820 HydrophobicContact CG2-CB 4.41Å; V676-I820 HydrophobicContact CG2-CG2 3.46Å; V676-I820 VanDerWaalsContact CG2-CG2 3.46Å | ||
| 677 | A | 92.5 | Very high | 89 | Confident | 1.33333 Ų | 1.33333 | 39 Ų | 39 | 1% | 0.011 | 21% | 0.211 | C | C | . | . | trans | -64.5 | 156.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S644 T675 C679 Q682 W748 F816 | S644-A677 WeakPolarHBondContact CB-O 3.35Å; S644-A677 PolarHBondContact OG-O 2.93Å; T675-A677 PolarHBondContact O-N 3.12Å; T675-A677 VanDerWaalsContact O-N 3.14Å; A677-C679 VanDerWaalsContact C-N 3.3Å; A677-C679 WeakPolarHBondContact CB-O 3.41Å; A677-Q682 WeakPolarHBondContact CB-O 3.01Å; A677-W748 PolarHBondContact O-NE1 2.87Å; A677-F816 WeakPolarHBondContact O-CE1 3.41Å | ||
| 678 | F | 94.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -65.1 | -45.5 | 171.3 | -172.6 | -108.9 | 0 | 0 | 0 | 109.9 | L650 A707 W748 F750 D794 V810 V811 P814 F816 | L650-F678 HydrophobicContact CD1-CE1 4.31Å; L650-F678 HydrophobicContact CD2-CD1 4.11Å; L650-F678 HydrophobicContact CD2-CE1 3.73Å; F678-A707 HydrophobicContact CB-CB 3.62Å; F678-A707 HydrophobicContact CD1-CB 3.38Å; F678-A707 VanDerWaalsContact CD1-CB 3.44Å; F678-A707 HydrophobicContact CD2-CB 3.86Å; F678-A707 HydrophobicContact CE1-CB 3.92Å; F678-A707 HydrophobicContact CE2-CB 4.35Å; F678-A707 HydrophobicContact CG-CB 3.32Å; F678-A707 HydrophobicContact CZ-CB 4.37Å; F678-W748 HydrophobicContact CB-CD2 3.79Å; F678-W748 HydrophobicContact CB-CE3 3.9Å; F678-W748 HydrophobicContact CB-CG 4.28Å; F678-W748 HydrophobicContact CB-CH2 4.32Å; F678-W748 HydrophobicContact CB-CZ2 4.21Å; F678-W748 HydrophobicContact CB-CZ3 4.17Å; F678-W748 HydrophobicContact CD2-CB 3.61Å; F678-W748 AromaticContact CD2-CD2 3.96Å; F678-W748 HydrophobicContact CD2-CD2 3.99Å; F678-W748 HydrophobicContact CD2-CE3 4.31Å; F678-W748 AromaticContact CD2-CG 3.69Å; F678-W748 HydrophobicContact CD2-CG 3.69Å; F678-W748 HydrophobicContact CE2-CB 4.05Å; F678-W748 HydrophobicContact CE2-CG 4.49Å; F678-W748 HydrophobicContact CG-CD2 4.36Å; F678-W748 HydrophobicContact CG-CE3 4.43Å; F678-W748 HydrophobicContact CG-CG 4.47Å; F678-W748 VanDerWaalsContact N-CE2 3.34Å; F678-W748 VanDerWaalsContact N-CZ2 3.29Å; F678-F750 HydrophobicContact CD1-CD2 4.49Å; F678-F750 AromaticContact CE1-CD2 3.76Å; F678-F750 HydrophobicContact CE1-CD2 3.76Å; F678-F750 HydrophobicContact CE1-CE2 4.22Å; F678-F750 HydrophobicContact CZ-CB 4.25Å; F678-F750 AromaticContact CZ-CD2 3.94Å; F678-F750 HydrophobicContact CZ-CD2 3.94Å; F678-F750 HydrophobicContact CZ-CG 4.39Å; F678-D794 WeakPolarHBondContact CA-OD2 3.42Å; F678-D794 HydrophobicContact CB-CB 3.82Å; F678-D794 VanDerWaalsContact CB-CG 3.49Å; F678-D794 VanDerWaalsContact CB-OD2 3.25Å; F678-D794 WeakPolarHBondContact CB-OD2 3.39Å; F678-D794 PolarHBondContact N-OD2 2.85Å; F678-V810 HydrophobicContact CE1-CG1 4.43Å; F678-V810 HydrophobicContact CZ-CG1 4.24Å; F678-V811 HydrophobicContact CE2-CG2 4.49Å; F678-P814 HydrophobicContact CD1-CG 4.32Å; F678-P814 HydrophobicContact CD2-CG 4.33Å; F678-P814 HydrophobicContact CE1-CG 3.99Å; F678-P814 HydrophobicContact CE2-CG 4Å; F678-P814 HydrophobicContact CG-CG 4.41Å; F678-P814 HydrophobicContact CZ-CG 3.82Å; F678-P814 VanDerWaalsContact O-CB 3.31Å; F678-P814 WeakPolarHBondContact O-CB 3.3Å; F678-P814 WeakPolarHBondContact O-CG 3.33Å; F678-F816 HydrophobicContact CD2-CE1 4.34Å; F678-F816 AromaticContact CD2-CZ 3.99Å; F678-F816 HydrophobicContact CD2-CZ 4.04Å; F678-F816 HydrophobicContact CE2-CZ 4.29Å |
| 679 | C | 91.9 | Very high | 89.7 | Confident | 1.66667 Ų | 1.66667 | 34.7 Ų | 34.7 | 1% | 0.011 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -130 | 138 | 175.1 | 176 | 0 | 0 | 0 | 0 | 109.4 | C646 L650 I651 A677 D794 T795 | C646-C679 HydrophobicContact CB-CB 4.07Å; C646-C679 WeakPolarHBondContact CB-SG 3.22Å; C646-C679 VanDerWaalsContact SG-C 3.57Å; C646-C679 WeakPolarHBondContact SG-CA 3.33Å; C646-C679 WeakPolarHBondContact SG-CB 3.32Å; C646-C679 CovalentContact SG-SG 2.01Å; C646-C679 PolarHBondContact SG-SG 3.16Å; L650-C679 HydrophobicContact CD2-CB 4.3Å; I651-C679 WeakPolarHBondContact CG2-SG 3.32Å; A677-C679 VanDerWaalsContact C-N 3.3Å; A677-C679 WeakPolarHBondContact CB-O 3.41Å; C679-D794 PolarHBondContact N-OD2 3.02Å; C679-T795 WeakPolarHBondContact CB-OG1 3.31Å |
| 680 | G | 91.4 | Very high | 90.2 | Very high | 12 Ų | 12 | 27.6 Ų | 27.6 | 12% | 0.124 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | 72.8 | -139.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S644 C646 E664 | S644-G680 WeakPolarHBondContact CA-O 3.26Å; S644-G680 WeakPolarHBondContact CB-O 3.24Å; S644-G680 PolarHBondContact N-O 3.05Å; S644-G680 VanDerWaalsContact O-CA 3.31Å; S644-G680 WeakPolarHBondContact O-CA 3.28Å; S644-G680 PolarHBondContact O-N 2.82Å; C646-G680 PolarHBondContact SG-N 3.02Å; E664-G680 WeakPolarHBondContact OE1-CA 3.46Å |
| 681 | R | 89.7 | Confident | 90.5 | Very high | 48.6667 Ų | 48.6667 | 30.7 Ų | 30.7 | 18% | 0.184 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -121.1 | -16.4 | -174.2 | -171.3 | 168.4 | 158.8 | -106.1 | -2.4 | 112.6 | S643 E664 T673 F821 S822 | S643-R681 WeakPolarHBondContact OG-CD 3.28Å; E664-R681 VanDerWaalsContact CD-N 3.3Å; E664-R681 PolarHBondContact OE1-N 2.86Å; E664-R681 PolarHBondContact OE2-N 2.97Å; T673-R681 HydrophobicContact CG2-CG 4.36Å; R681-F821 PolarHBondContact NE-O 3.27Å; R681-F821 PolarHBondContact NH2-O 3.42Å; R681-S822 VanDerWaalsContact NH2-C 3.32Å; R681-S822 PolarHBondContact NH2-O 3.05Å |
| 682 | Q | 91.6 | Very high | 90.6 | Very high | 48.3333 Ų | 48.3333 | 29.7 Ų | 29.7 | 23% | 0.226 | 15% | 0.149 | C | C | . | . | trans | -117.2 | 137.8 | -172 | -62.1 | -167.2 | -51 | 0 | 0 | 110.5 | F663 E664 V671 T672 T673 A677 | F663-Q682 PolarHBondContact O-OE1 2.78Å; E664-Q682 PolarHBondContact O-OE1 2.99Å; E664-Q682 WeakPolarHBondContact OE1-CA 3.32Å; E664-Q682 VanDerWaalsContact OE1-CB 3.25Å; E664-Q682 WeakPolarHBondContact OE1-CB 3.25Å; E664-Q682 WeakPolarHBondContact OE1-CG 3.3Å; E664-Q682 PolarHBondContact OE1-N 3.23Å; V671-Q682 HydrophobicContact CG1-CB 3.79Å; V671-Q682 HydrophobicContact CG1-CG 4.16Å; T672-Q682 WeakPolarHBondContact O-CA 3.37Å; T673-Q682 HydrophobicContact CG2-CG 4.02Å; A677-Q682 WeakPolarHBondContact CB-O 3.01Å | ||
| 683 | S | 93.6 | Very high | 90.6 | Very high | 0.666667 Ų | 0.666667 | 34.8 Ų | 34.8 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 166.1 | 167.9 | 61.2 | 0 | 0 | 0 | 0 | 108.2 | V671 T672 D794 | V671-S683 CarbonylContact C-O 3.49Å; T672-S683 WeakPolarHBondContact CG2-O 3.34Å; T672-S683 PolarHBondContact N-O 3.35Å; T672-S683 PolarHBondContact O-N 3.06Å; T672-S683 VanDerWaalsContact O-N 3.11Å; S683-D794 WeakPolarHBondContact CB-OD2 3.13Å |
| 684 | T | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 147.3 | 175.2 | 62.3 | 0 | 0 | 0 | 0 | 111 | F663 T670 V671 L687 F792 L793 | F663-T684 HydrophobicContact CD1-CG2 3.33Å; F663-T684 HydrophobicContact CD2-CG2 4.11Å; F663-T684 HydrophobicContact CE1-CG2 3.29Å; F663-T684 HydrophobicContact CE2-CG2 4.08Å; F663-T684 HydrophobicContact CG-CG2 3.74Å; F663-T684 HydrophobicContact CZ-CG2 3.68Å; T670-T684 CarbonylContact O-C 3.58Å; T670-T684 WeakPolarHBondContact O-CA 3.42Å; V671-T684 HydrophobicContact CG2-CG2 4.29Å; T684-L687 HydrophobicContact CG2-CB 4.45Å; T684-L687 HydrophobicContact CG2-CD2 3.78Å; T684-F792 VanDerWaalsContact O-CA 3.24Å; T684-F792 WeakPolarHBondContact O-CA 3.33Å; T684-F792 WeakPolarHBondContact O-CD1 3.43Å; T684-L793 PolarHBondContact N-O 3.11Å; T684-L793 PolarHBondContact O-N 2.93Å; T684-L793 VanDerWaalsContact O-N 3.16Å; T684-L793 WeakPolarHBondContact OG1-CB 3.38Å; T684-L793 PolarHBondContact OG1-N 3.01Å; T684-L793 PolarHBondContact OG1-O 2.96Å |
| 685 | F | 90.6 | Very high | 91.5 | Very high | 64 Ų | 64 | 41.4 Ų | 41.4 | 28% | 0.281 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 126.6 | 171.8 | 178.4 | -119.7 | 0 | 0 | 0 | 109.8 | T670 T672 L687 F792 | T670-F685 WeakPolarHBondContact CB-O 3.45Å; T670-F685 PolarHBondContact O-N 2.35Å; T672-F685 HydrophobicContact CG2-CB 3.69Å; F685-L687 PolarHBondContact O-N 2.89Å; F685-F792 HydrophobicContact CB-CD1 4.41Å; F685-F792 HydrophobicContact CB-CE1 4.25Å; F685-F792 HydrophobicContact CD2-CD1 4.09Å; F685-F792 AromaticContact CD2-CE1 3.48Å; F685-F792 HydrophobicContact CD2-CE1 3.48Å; F685-F792 VanDerWaalsContact CD2-CE1 3.46Å; F685-F792 HydrophobicContact CD2-CE2 4.47Å; F685-F792 AromaticContact CD2-CZ 3.75Å; F685-F792 HydrophobicContact CD2-CZ 3.75Å; F685-F792 HydrophobicContact CE2-CE1 4.25Å; F685-F792 AromaticContact CE2-CZ 3.98Å; F685-F792 HydrophobicContact CE2-CZ 4.07Å; F685-F792 HydrophobicContact CG-CE1 4.27Å |
| 686 | N | 88.6 | Confident | 92 | Very high | 41.3333 Ų | 41.3333 | 40.9 Ų | 40.9 | 22% | 0.221 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 54.8 | 33.8 | 176.4 | -76.1 | -10.2 | 0 | 0 | 0 | 114.2 | F688 Y789 S790 L791 | N686-F688 VanDerWaalsContact CA-CZ 3.46Å; N686-F688 HydrophobicContact CB-CE1 3.94Å; N686-F688 HydrophobicContact CB-CE2 4.06Å; N686-F688 HydrophobicContact CB-CZ 3.46Å; N686-F688 VanDerWaalsContact CB-CZ 3.43Å; N686-F688 WeakPolarHBondContact O-CD2 3.22Å; N686-F688 WeakPolarHBondContact O-CE1 3.19Å; N686-F688 WeakPolarHBondContact O-CE2 3.36Å; N686-F688 WeakPolarHBondContact O-CZ 3.37Å; N686-F688 PolarHBondContact O-N 3.02Å; N686-Y789 PolarHBondContact ND2-O 3.04Å; N686-Y789 VanDerWaalsContact ND2-O 3.13Å; N686-Y789 PolarHBondContact OD1-O 2.9Å; N686-Y789 VanDerWaalsContact OD1-O 3.07Å; N686-S790 WeakPolarHBondContact OD1-CA 3.43Å; N686-L791 PolarHBondContact N-O 3.21Å; N686-L791 PolarHBondContact OD1-N 2.48Å |
| 687 | L | 90.2 | Very high | 92.3 | Very high | 27.6667 Ų | 27.6667 | 41.7 Ų | 41.7 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | trans | -85.1 | 85.7 | 169.5 | -174.2 | 64.6 | 0 | 0 | 0 | 109.9 | F663 L668 T670 T684 F685 T689 Y690 L793 | F663-L687 HydrophobicContact CE1-CD2 4.48Å; L668-L687 HydrophobicContact CD1-CD2 4.24Å; T670-L687 HydrophobicContact CG2-CB 4.33Å; T670-L687 HydrophobicContact CG2-CD1 4.34Å; T684-L687 HydrophobicContact CG2-CB 4.45Å; T684-L687 HydrophobicContact CG2-CD2 3.78Å; F685-L687 PolarHBondContact O-N 2.89Å; L687-T689 VanDerWaalsContact C-N 3.3Å; L687-T689 VanDerWaalsContact CD1-O 3.31Å; L687-T689 WeakPolarHBondContact CD1-O 3.34Å; L687-T689 PolarHBondContact O-N 2.92Å; L687-Y690 HydrophobicContact CD2-CD2 4.03Å; L687-L793 HydrophobicContact CD2-CD2 4.34Å | ||
| 688 | F | 90.1 | Very high | 92.4 | Very high | 57.3333 Ų | 57.3333 | 41.6 Ų | 41.6 | 25% | 0.251 | 23% | 0.227 | S | C | . | . | trans | -73.8 | -24.3 | -178.5 | -45 | -55.3 | 0 | 0 | 0 | 113.4 | N686 A777 I778 P780 Y789 L791 | N686-F688 VanDerWaalsContact CA-CZ 3.46Å; N686-F688 HydrophobicContact CB-CE1 3.94Å; N686-F688 HydrophobicContact CB-CE2 4.06Å; N686-F688 HydrophobicContact CB-CZ 3.46Å; N686-F688 VanDerWaalsContact CB-CZ 3.43Å; N686-F688 WeakPolarHBondContact O-CD2 3.22Å; N686-F688 WeakPolarHBondContact O-CE1 3.19Å; N686-F688 WeakPolarHBondContact O-CE2 3.36Å; N686-F688 WeakPolarHBondContact O-CZ 3.37Å; N686-F688 PolarHBondContact O-N 3.02Å; F688-A777 CarbonylContact O-C 3.43Å; F688-A777 WeakPolarHBondContact O-CA 3.41Å; F688-A777 VanDerWaalsContact O-CB 3.28Å; F688-A777 WeakPolarHBondContact O-CB 3.26Å; F688-I778 PolarHBondContact O-N 3.22Å; F688-P780 HydrophobicContact CD1-CB 4.36Å; F688-P780 HydrophobicContact CD1-CG 4.06Å; F688-P780 HydrophobicContact CE1-CB 4.24Å; F688-P780 HydrophobicContact CE1-CG 4.24Å; F688-P780 HydrophobicContact CG-CG 4.48Å; F688-Y789 HydrophobicContact CD1-CD2 4.49Å; F688-Y789 AromaticContact CD1-CE2 3.94Å; F688-Y789 HydrophobicContact CD1-CE2 4.2Å; F688-Y789 HydrophobicContact CD2-CE2 4.22Å; F688-Y789 AromaticContact CE1-CD2 3.74Å; F688-Y789 HydrophobicContact CE1-CD2 3.83Å; F688-Y789 AromaticContact CE1-CE2 3.25Å; F688-Y789 HydrophobicContact CE1-CE2 3.25Å; F688-Y789 VanDerWaalsContact CE1-CE2 3.4Å; F688-Y789 AromaticContact CE1-CZ 3.83Å; F688-Y789 HydrophobicContact CE2-CD2 4.46Å; F688-Y789 AromaticContact CE2-CE2 3.43Å; F688-Y789 HydrophobicContact CE2-CE2 3.99Å; F688-Y789 VanDerWaalsContact CE2-CE2 3.43Å; F688-Y789 AromaticContact CE2-CZ 3.83Å; F688-Y789 WeakPolarHBondContact CE2-OH 3.42Å; F688-Y789 HydrophobicContact CG-CE2 4.45Å; F688-Y789 AromaticContact CZ-CD2 3.51Å; F688-Y789 HydrophobicContact CZ-CD2 4.03Å; F688-Y789 AromaticContact CZ-CE2 3.14Å; F688-Y789 HydrophobicContact CZ-CE2 3.14Å; F688-Y789 AromaticContact CZ-CZ 3.79Å; F688-Y789 VanDerWaalsContact CZ-OH 3.23Å; F688-Y789 WeakPolarHBondContact CZ-OH 3.41Å; F688-L791 HydrophobicContact CD1-CB 4.42Å; F688-L791 HydrophobicContact CD1-CD2 3.94Å; F688-L791 HydrophobicContact CE1-CB 4Å; F688-L791 HydrophobicContact CE1-CD2 4.26Å | ||
| 689 | T | 93.2 | Very high | 92.4 | Very high | 68 Ų | 68 | 44.2 Ų | 44.2 | 42% | 0.417 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 114.3 | -179.8 | -56.4 | 0 | 0 | 0 | 0 | 108.6 | L687 Q691 F776 A777 | L687-T689 VanDerWaalsContact C-N 3.3Å; L687-T689 VanDerWaalsContact CD1-O 3.31Å; L687-T689 WeakPolarHBondContact CD1-O 3.34Å; L687-T689 PolarHBondContact O-N 2.92Å; T689-Q691 PolarHBondContact O-N 3.44Å; T689-F776 CarbonylContact C-O 3.6Å; T689-F776 WeakPolarHBondContact CA-O 3.45Å; T689-A777 HydrophobicContact CG2-CB 4.22Å; T689-A777 WeakPolarHBondContact OG1-CB 3.46Å |
| 690 | Y | 94.6 | Very high | 92.6 | Very high | 19.6667 Ų | 19.6667 | 48 Ų | 48 | 8% | 0.077 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 110.2 | 172 | -175.3 | -86.4 | 0 | 0 | 0 | 108.8 | D661 F663 L687 F692 S775 F776 L793 V796 | D661-Y690 HydrophobicContact CB-CE2 4.39Å; D661-Y690 WeakPolarHBondContact CB-OH 3.41Å; D661-Y690 VanDerWaalsContact OD2-CE2 3.3Å; D661-Y690 WeakPolarHBondContact OD2-CE2 3.39Å; D661-Y690 PolarHBondContact OD2-OH 3.16Å; F663-Y690 HydrophobicContact CE1-CD2 4.33Å; F663-Y690 AromaticContact CE1-CE2 3.83Å; F663-Y690 HydrophobicContact CE1-CE2 3.83Å; F663-Y690 AromaticContact CZ-CD2 3.99Å; F663-Y690 HydrophobicContact CZ-CD2 4.02Å; F663-Y690 AromaticContact CZ-CE2 3.73Å; F663-Y690 HydrophobicContact CZ-CE2 3.73Å; L687-Y690 HydrophobicContact CD2-CD2 4.03Å; Y690-F692 AromaticContact CD1-CD1 3.93Å; Y690-F692 HydrophobicContact CD1-CD1 4.02Å; Y690-F692 AromaticContact CD1-CE1 3.86Å; Y690-F692 HydrophobicContact CD1-CE1 3.86Å; Y690-F692 HydrophobicContact CD1-CG 4.48Å; Y690-F692 HydrophobicContact CD1-CZ 4.17Å; Y690-F692 AromaticContact CE1-CD1 3.55Å; Y690-F692 HydrophobicContact CE1-CD1 3.55Å; Y690-F692 AromaticContact CE1-CE1 3.59Å; Y690-F692 HydrophobicContact CE1-CE1 3.59Å; Y690-F692 HydrophobicContact CE1-CG 4.32Å; Y690-F692 HydrophobicContact CE1-CZ 4.36Å; Y690-S775 VanDerWaalsContact O-CA 3.3Å; Y690-S775 WeakPolarHBondContact O-CA 3.28Å; Y690-S775 WeakPolarHBondContact O-CB 3.29Å; Y690-F776 VanDerWaalsContact CB-CE1 3.49Å; Y690-F776 HydrophobicContact CD1-CD1 4.23Å; Y690-F776 AromaticContact CD1-CE1 3.59Å; Y690-F776 HydrophobicContact CD1-CE1 3.59Å; Y690-F776 HydrophobicContact CD1-CZ 4.35Å; Y690-F776 HydrophobicContact CE1-CE1 4.49Å; Y690-F776 AromaticContact CG-CE1 3.74Å; Y690-F776 HydrophobicContact CG-CE1 3.74Å; Y690-F776 HydrophobicContact CG-CZ 4.06Å; Y690-F776 PolarHBondContact N-O 3.23Å; Y690-F776 PolarHBondContact O-N 3.12Å; Y690-L793 HydrophobicContact CD2-CD2 4.23Å; Y690-V796 HydrophobicContact CD1-CG1 4.08Å; Y690-V796 HydrophobicContact CD2-CB 4.45Å; Y690-V796 HydrophobicContact CD2-CG1 4.32Å; Y690-V796 HydrophobicContact CD2-CG2 4.11Å; Y690-V796 HydrophobicContact CE1-CG1 3.91Å; Y690-V796 HydrophobicContact CE2-CB 4.3Å; Y690-V796 HydrophobicContact CE2-CG1 4.36Å; Y690-V796 HydrophobicContact CE2-CG2 4.19Å; Y690-V796 HydrophobicContact CG-CG1 4.38Å; Y690-V796 HydrophobicContact CG-CG2 4.5Å |
| 691 | Q | 93.5 | Very high | 92.8 | Very high | 102.667 Ų | 102.667 | 48.4 Ų | 48.4 | 48% | 0.48 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 121 | 178.5 | -176.8 | 69.2 | 28.5 | 0 | 0 | 109.7 | T689 E774 S775 | T689-Q691 PolarHBondContact O-N 3.44Å; Q691-E774 VanDerWaalsContact NE2-CG 3.31Å; Q691-E774 PolarHBondContact NE2-O 2.93Å; Q691-S775 VanDerWaalsContact OE1-CB 3.27Å; Q691-S775 PolarHBondContact OE1-OG 2.94Å |
| 692 | F | 93.2 | Very high | 93.1 | Very high | 6.66667 Ų | 6.66667 | 46.9 Ų | 46.9 | 3% | 0.029 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 137.8 | 174.5 | -63.2 | -73.2 | 0 | 0 | 0 | 110.2 | V659 Y690 Q694 I696 L704 L773 E774 F776 M798 | V659-F692 HydrophobicContact CB-CD1 4.45Å; V659-F692 HydrophobicContact CB-CE1 4.37Å; V659-F692 HydrophobicContact CG1-CD1 4.29Å; V659-F692 HydrophobicContact CG1-CE1 4.27Å; V659-F692 HydrophobicContact CG2-CD1 3.81Å; V659-F692 HydrophobicContact CG2-CE1 4.12Å; Y690-F692 AromaticContact CD1-CD1 3.93Å; Y690-F692 HydrophobicContact CD1-CD1 4.02Å; Y690-F692 AromaticContact CD1-CE1 3.86Å; Y690-F692 HydrophobicContact CD1-CE1 3.86Å; Y690-F692 HydrophobicContact CD1-CG 4.48Å; Y690-F692 HydrophobicContact CD1-CZ 4.17Å; Y690-F692 AromaticContact CE1-CD1 3.55Å; Y690-F692 HydrophobicContact CE1-CD1 3.55Å; Y690-F692 AromaticContact CE1-CE1 3.59Å; Y690-F692 HydrophobicContact CE1-CE1 3.59Å; Y690-F692 HydrophobicContact CE1-CG 4.32Å; Y690-F692 HydrophobicContact CE1-CZ 4.36Å; F692-Q694 VanDerWaalsContact CB-O 3.28Å; F692-Q694 WeakPolarHBondContact CB-O 3.16Å; F692-Q694 PolarHBondContact O-N 2.74Å; F692-Q694 VanDerWaalsContact O-N 3.16Å; F692-I696 HydrophobicContact CB-CD1 4.33Å; F692-I696 HydrophobicContact CB-CG1 3.92Å; F692-I696 HydrophobicContact CD1-CD1 4.36Å; F692-I696 HydrophobicContact CD1-CG1 3.77Å; F692-I696 HydrophobicContact CD2-CG1 4.1Å; F692-I696 HydrophobicContact CE1-CG1 4.3Å; F692-I696 HydrophobicContact CG-CD1 4.43Å; F692-I696 HydrophobicContact CG-CG1 3.65Å; F692-L704 HydrophobicContact CZ-CD1 4.2Å; F692-L773 HydrophobicContact CD2-CD2 4.41Å; F692-L773 HydrophobicContact CD2-CG 4.28Å; F692-L773 HydrophobicContact CE2-CB 4.46Å; F692-L773 HydrophobicContact CE2-CD2 3.49Å; F692-L773 VanDerWaalsContact CE2-CD2 3.48Å; F692-L773 HydrophobicContact CE2-CG 3.79Å; F692-L773 HydrophobicContact CZ-CD2 4.07Å; F692-E774 WeakPolarHBondContact CD2-O 3.19Å; F692-E774 PolarHBondContact N-O 2.7Å; F692-E774 VanDerWaalsContact N-O 3.12Å; F692-F776 HydrophobicContact CE1-CE1 4.43Å; F692-F776 AromaticContact CE2-CD1 3.93Å; F692-F776 HydrophobicContact CE2-CD1 3.93Å; F692-F776 HydrophobicContact CE2-CE1 4.46Å; F692-F776 AromaticContact CZ-CD1 3.71Å; F692-F776 HydrophobicContact CZ-CD1 3.71Å; F692-F776 AromaticContact CZ-CE1 3.9Å; F692-F776 HydrophobicContact CZ-CE1 3.94Å; F692-M798 HydrophobicContact CE1-SD 4.34Å; F692-M798 HydrophobicContact CE2-SD 4.42Å; F692-M798 HydrophobicContact CZ-SD 3.91Å |
| 693 | A | 88.4 | Confident | 93.3 | Very high | 116 Ų | 116 | 47.7 Ų | 47.7 | 96% | 0.959 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.4 | -24.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 694 | Q | 92 | Very high | 93.5 | Very high | 136 Ų | 136 | 47.7 Ų | 47.7 | 64% | 0.636 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 156.1 | 173.7 | 62.4 | -177 | 0.4 | 0 | 0 | 110.1 | F692 I696 | F692-Q694 VanDerWaalsContact CB-O 3.28Å; F692-Q694 WeakPolarHBondContact CB-O 3.16Å; F692-Q694 PolarHBondContact O-N 2.74Å; F692-Q694 VanDerWaalsContact O-N 3.16Å; Q694-I696 HydrophobicContact CG-CD1 4.12Å; Q694-I696 VanDerWaalsContact O-CD1 3.32Å; Q694-I696 WeakPolarHBondContact O-CD1 3.35Å; Q694-I696 PolarHBondContact O-N 2.87Å |
| 695 | L | 92.7 | Very high | 93.5 | Very high | 78.3333 Ų | 78.3333 | 47.7 Ų | 47.7 | 41% | 0.41 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 118 | 175.8 | -72.9 | 172 | 0 | 0 | 0 | 110.9 | Q772 E774 | L695-Q772 HydrophobicContact CB-CB 4.32Å; L695-Q772 HydrophobicContact CD2-CB 4.47Å; L695-E774 HydrophobicContact CD2-CB 3.66Å; L695-E774 HydrophobicContact CD2-CG 4Å |
| 696 | I | 95.1 | Very high | 93.7 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.7 | -177.2 | -52.3 | -55.7 | 0 | 0 | 0 | 110.2 | A658 V659 F692 Q694 V698 N701 Q772 L773 M798 | A658-I696 HydrophobicContact CB-CD1 4.27Å; A658-I696 HydrophobicContact CB-CG2 3.9Å; V659-I696 HydrophobicContact CG2-CD1 3.47Å; V659-I696 VanDerWaalsContact CG2-CD1 3.46Å; V659-I696 HydrophobicContact CG2-CG1 4.03Å; F692-I696 HydrophobicContact CB-CD1 4.33Å; F692-I696 HydrophobicContact CB-CG1 3.92Å; F692-I696 HydrophobicContact CD1-CD1 4.36Å; F692-I696 HydrophobicContact CD1-CG1 3.77Å; F692-I696 HydrophobicContact CD2-CG1 4.1Å; F692-I696 HydrophobicContact CE1-CG1 4.3Å; F692-I696 HydrophobicContact CG-CD1 4.43Å; F692-I696 HydrophobicContact CG-CG1 3.65Å; Q694-I696 HydrophobicContact CG-CD1 4.12Å; Q694-I696 VanDerWaalsContact O-CD1 3.32Å; Q694-I696 WeakPolarHBondContact O-CD1 3.35Å; Q694-I696 PolarHBondContact O-N 2.87Å; I696-V698 PolarHBondContact O-N 2.99Å; I696-V698 VanDerWaalsContact O-N 3.09Å; I696-N701 HydrophobicContact CG2-CB 4.23Å; I696-Q772 CarbonylContact O-C 3.5Å; I696-Q772 VanDerWaalsContact O-CA 3.25Å; I696-Q772 WeakPolarHBondContact O-CA 3.38Å; I696-L773 PolarHBondContact N-O 2.9Å; I696-L773 PolarHBondContact O-N 2.76Å; I696-M798 HydrophobicContact CB-CE 4.39Å; I696-M798 HydrophobicContact CB-SD 4.04Å; I696-M798 HydrophobicContact CG1-SD 4.37Å; I696-M798 HydrophobicContact CG2-CE 3.95Å; I696-M798 HydrophobicContact CG2-CG 4.12Å; I696-M798 HydrophobicContact CG2-SD 3.62Å |
| 697 | S | 96 | Very high | 94 | Very high | 40.6667 Ų | 40.6667 | 42.6 Ų | 42.6 | 28% | 0.284 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 104.7 | 173.1 | -179.7 | 0 | 0 | 0 | 0 | 110.4 | N699 T700 N701 | S697-N699 PolarHBondContact O-N 3.25Å; S697-T700 VanDerWaalsContact CB-OG1 3.31Å; S697-T700 WeakPolarHBondContact CB-OG1 3.28Å; S697-T700 PolarHBondContact O-N 3.35Å; S697-T700 PolarHBondContact O-OG1 2.95Å; S697-T700 VanDerWaalsContact O-OG1 3.11Å; S697-T700 PolarHBondContact OG-OG1 3.13Å; S697-N701 PolarHBondContact O-N 3.2Å |
| 698 | V | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -25.1 | -179.2 | -167 | 0 | 0 | 0 | 0 | 111 | I696 T700 N701 P702 V755 L756 L759 F771 L773 M798 | I696-V698 PolarHBondContact O-N 2.99Å; I696-V698 VanDerWaalsContact O-N 3.09Å; V698-T700 VanDerWaalsContact C-N 3.27Å; V698-T700 PolarHBondContact O-N 2.99Å; V698-N701 CarbonylContact O-C 3.5Å; V698-P702 VanDerWaalsContact O-CA 3.25Å; V698-P702 WeakPolarHBondContact O-CA 3.33Å; V698-P702 WeakPolarHBondContact O-CB 3.26Å; V698-V755 HydrophobicContact CG1-CB 3.86Å; V698-V755 HydrophobicContact CG1-CG1 3.94Å; V698-L756 HydrophobicContact CG1-CB 3.95Å; V698-L756 HydrophobicContact CG1-CD1 4.47Å; V698-L759 HydrophobicContact CG1-CD1 4.31Å; V698-L759 HydrophobicContact CG2-CD1 4.29Å; V698-F771 HydrophobicContact CB-CB 3.96Å; V698-F771 HydrophobicContact CG2-CB 4.23Å; V698-F771 PolarHBondContact N-O 2.88Å; V698-L773 HydrophobicContact CG2-CB 3.66Å; V698-M798 HydrophobicContact CB-CE 4.4Å; V698-M798 HydrophobicContact CG1-CE 4.19Å; V698-M798 HydrophobicContact CG2-CE 4Å |
| 699 | N | 94.6 | Very high | 94.3 | Very high | 54.3333 Ų | 54.3333 | 39.8 Ų | 39.8 | 29% | 0.291 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -34.6 | 174 | -66.7 | 80.7 | 0 | 0 | 0 | 113.4 | S697 T769 I770 F771 | S697-N699 PolarHBondContact O-N 3.25Å; N699-T769 PolarHBondContact ND2-O 2.91Å; N699-I770 WeakPolarHBondContact OD1-CA 3.38Å; N699-F771 PolarHBondContact OD1-N 3.04Å; N699-F771 PolarHBondContact OD1-O 3.15Å |
| 700 | T | 94.9 | Very high | 94 | Very high | 82.3333 Ų | 82.3333 | 37 Ų | 37 | 51% | 0.505 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -28.2 | -179.1 | 50.9 | 0 | 0 | 0 | 0 | 112.4 | S697 V698 P702 T800 | S697-T700 VanDerWaalsContact CB-OG1 3.31Å; S697-T700 WeakPolarHBondContact CB-OG1 3.28Å; S697-T700 PolarHBondContact O-N 3.35Å; S697-T700 PolarHBondContact O-OG1 2.95Å; S697-T700 VanDerWaalsContact O-OG1 3.11Å; S697-T700 PolarHBondContact OG-OG1 3.13Å; V698-T700 VanDerWaalsContact C-N 3.27Å; V698-T700 PolarHBondContact O-N 2.99Å; T700-P702 VanDerWaalsContact C-CD 3.49Å; T700-P702 WeakPolarHBondContact O-CD 3.37Å; T700-T800 WeakPolarHBondContact O-CG2 3.4Å |
| 701 | N | 95.9 | Very high | 93.5 | Very high | 19.6667 Ų | 19.6667 | 38.3 Ų | 38.3 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | trans | -125.5 | 73.2 | 179.7 | -59.2 | -85.1 | 0 | 0 | 0 | 109.7 | A658 I696 S697 V698 M798 G799 | A658-N701 HydrophobicContact CB-CB 4.16Å; A658-N701 PolarHBondContact N-OD1 3.07Å; I696-N701 HydrophobicContact CG2-CB 4.23Å; S697-N701 PolarHBondContact O-N 3.2Å; V698-N701 CarbonylContact O-C 3.5Å; N701-M798 HydrophobicContact CB-CG 4.27Å; N701-M798 WeakPolarHBondContact O-CE 3.26Å; N701-G799 CarbonylContact C-O 3.53Å; N701-G799 VanDerWaalsContact C-O 3.27Å; N701-G799 VanDerWaalsContact CA-O 3.3Å; N701-G799 WeakPolarHBondContact CA-O 3.2Å; N701-G799 WeakPolarHBondContact OD1-CA 3.32Å | ||
| 702 | P | 96.4 | Very high | 93.1 | Very high | 17.3333 Ų | 17.3333 | 33.5 Ų | 33.5 | 11% | 0.113 | 19% | 0.192 | C | C | . | . | trans | -77.8 | -19.2 | -170.5 | 29.5 | -35.1 | 0 | 0 | 0 | 114.3 | V698 T700 N754 V755 L756 G799 | V698-P702 VanDerWaalsContact O-CA 3.25Å; V698-P702 WeakPolarHBondContact O-CA 3.33Å; V698-P702 WeakPolarHBondContact O-CB 3.26Å; T700-P702 VanDerWaalsContact C-CD 3.49Å; T700-P702 WeakPolarHBondContact O-CD 3.37Å; P702-N754 CarbonylContact O-C 3.42Å; P702-V755 PolarHBondContact O-N 2.97Å; P702-L756 HydrophobicContact CB-CB 3.6Å; P702-L756 HydrophobicContact CB-CD2 4.3Å; P702-G799 WeakPolarHBondContact CD-O 3.35Å | ||
| 703 | Y | 96.4 | Very high | 92.8 | Very high | 64.6667 Ų | 64.6667 | 37.4 Ų | 37.4 | 25% | 0.254 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 115.5 | -174.4 | -64.4 | -82.6 | 0 | 0 | 0 | 111.1 | I753 N754 M798 G799 T800 K801 P802 | Y703-I753 WeakPolarHBondContact CA-O 3.22Å; Y703-N754 HydrophobicContact CD1-CB 4.13Å; Y703-N754 HydrophobicContact CE1-CB 3.82Å; Y703-M798 CarbonylContact O-C 3.51Å; Y703-M798 VanDerWaalsContact O-CA 3.24Å; Y703-M798 WeakPolarHBondContact O-CA 3.43Å; Y703-G799 PolarHBondContact N-O 3.12Å; Y703-G799 VanDerWaalsContact N-O 3.17Å; Y703-G799 PolarHBondContact O-N 3.05Å; Y703-T800 WeakPolarHBondContact CD2-O 3.41Å; Y703-T800 WeakPolarHBondContact CE2-O 3.27Å; Y703-K801 VanDerWaalsContact CD2-C 3.45Å; Y703-K801 VanDerWaalsContact CD2-CA 3.48Å; Y703-P802 HydrophobicContact CD1-CB 4.11Å; Y703-P802 HydrophobicContact CD1-CG 4.32Å; Y703-P802 HydrophobicContact CE1-CG 4.32Å; Y703-P802 HydrophobicContact CG-CB 4.44Å |
| 704 | L | 96.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124 | 167.4 | 172.9 | 68.1 | 0 | 0 | 0 | 108.6 | F692 F706 F718 C752 I753 V755 F776 V796 Y797 M798 | F692-L704 HydrophobicContact CZ-CD1 4.2Å; L704-F706 HydrophobicContact CD2-CD1 4.22Å; L704-F706 HydrophobicContact CD2-CE1 4.2Å; L704-F706 HydrophobicContact CG-CD1 4.07Å; L704-F706 HydrophobicContact CG-CE1 4.41Å; L704-F718 HydrophobicContact CD2-CE1 3.75Å; L704-F718 HydrophobicContact CD2-CZ 4.45Å; L704-C752 CarbonylContact O-C 3.46Å; L704-C752 VanDerWaalsContact O-CA 3.3Å; L704-C752 WeakPolarHBondContact O-CA 3.25Å; L704-I753 PolarHBondContact N-O 3.19Å; L704-I753 PolarHBondContact O-N 3.11Å; L704-V755 HydrophobicContact CB-CG2 3.7Å; L704-V755 HydrophobicContact CD2-CG2 4.44Å; L704-F776 HydrophobicContact CD1-CD1 4.04Å; L704-F776 HydrophobicContact CD1-CE1 3.78Å; L704-F776 HydrophobicContact CD1-CZ 4.34Å; L704-F776 HydrophobicContact CD2-CB 4.15Å; L704-F776 HydrophobicContact CD2-CD1 3.77Å; L704-F776 HydrophobicContact CD2-CD2 4.13Å; L704-F776 HydrophobicContact CD2-CE1 4.16Å; L704-F776 HydrophobicContact CD2-CE2 4.28Å; L704-F776 HydrophobicContact CD2-CG 3.75Å; L704-F776 HydrophobicContact CD2-CZ 4.34Å; L704-F776 HydrophobicContact CG-CE1 4.47Å; L704-V796 HydrophobicContact CD1-CG1 4.3Å; L704-Y797 CarbonylContact C-O 3.52Å; L704-Y797 WeakPolarHBondContact CA-O 3.36Å; L704-M798 HydrophobicContact CD1-CB 4.46Å |
| 705 | C | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 150.1 | 169.6 | -52.3 | 0 | 0 | 0 | 0 | 111 | F750 K751 C752 V796 Y797 I803 | C705-F750 HydrophobicContact CB-CE1 3.94Å; C705-F750 HydrophobicContact CB-CE2 4.48Å; C705-F750 HydrophobicContact CB-CZ 3.67Å; C705-K751 CarbonylContact C-O 3.54Å; C705-K751 WeakPolarHBondContact CA-O 3.24Å; C705-K751 WeakPolarHBondContact CB-O 3.36Å; C705-C752 HydrophobicContact CB-CB 4.13Å; C705-C752 WeakPolarHBondContact CB-SG 3.35Å; C705-C752 WeakPolarHBondContact SG-CB 3.34Å; C705-C752 CovalentContact SG-SG 2.04Å; C705-C752 PolarHBondContact SG-SG 2.96Å; C705-V796 WeakPolarHBondContact O-CA 3.43Å; C705-Y797 HydrophobicContact CB-CD1 3.98Å; C705-Y797 PolarHBondContact N-O 2.97Å; C705-Y797 PolarHBondContact O-N 3.1Å; C705-I803 HydrophobicContact CB-CD1 4.39Å |
| 706 | F | 95.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 151.8 | 175.7 | 53.5 | -94.3 | 0 | 0 | 0 | 111.6 | L704 I708 V716 F750 K751 I753 F776 I778 L793 T795 V796 | L704-F706 HydrophobicContact CD2-CD1 4.22Å; L704-F706 HydrophobicContact CD2-CE1 4.2Å; L704-F706 HydrophobicContact CG-CD1 4.07Å; L704-F706 HydrophobicContact CG-CE1 4.41Å; F706-I708 HydrophobicContact CD2-CB 4.17Å; F706-I708 HydrophobicContact CD2-CG2 4.29Å; F706-I708 HydrophobicContact CE2-CB 4.37Å; F706-I708 HydrophobicContact CE2-CD1 4.37Å; F706-I708 HydrophobicContact CE2-CG2 4.13Å; F706-V716 HydrophobicContact CZ-CG2 4.16Å; F706-F750 WeakPolarHBondContact O-CA 3.47Å; F706-F750 WeakPolarHBondContact O-CD2 3.35Å; F706-K751 HydrophobicContact CE2-CB 4.43Å; F706-K751 HydrophobicContact CZ-CB 4.38Å; F706-K751 PolarHBondContact N-O 3.02Å; F706-K751 PolarHBondContact O-N 3.12Å; F706-K751 VanDerWaalsContact O-N 3.1Å; F706-I753 HydrophobicContact CE1-CD1 4.09Å; F706-I753 HydrophobicContact CZ-CD1 4.36Å; F706-F776 AromaticContact CD1-CE2 3.87Å; F706-F776 HydrophobicContact CD1-CE2 4.09Å; F706-F776 HydrophobicContact CD1-CZ 4.34Å; F706-F776 HydrophobicContact CE1-CE2 4.39Å; F706-F776 HydrophobicContact CG-CE2 4.42Å; F706-I778 HydrophobicContact CD1-CD1 4.39Å; F706-I778 HydrophobicContact CD2-CD1 3.75Å; F706-I778 HydrophobicContact CE1-CD1 4.25Å; F706-I778 HydrophobicContact CE2-CD1 3.36Å; F706-I778 HydrophobicContact CG-CD1 4.35Å; F706-I778 HydrophobicContact CZ-CD1 3.64Å; F706-I778 HydrophobicContact CZ-CG1 4.49Å; F706-L793 HydrophobicContact CB-CD1 3.81Å; F706-L793 HydrophobicContact CD2-CD1 4.09Å; F706-L793 HydrophobicContact CG-CD1 4.16Å; F706-T795 WeakPolarHBondContact CA-O 3.33Å; F706-V796 HydrophobicContact CB-CG2 4.26Å |
| 707 | A | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 135 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | F678 W748 K749 F750 L793 D794 | F678-A707 HydrophobicContact CB-CB 3.62Å; F678-A707 HydrophobicContact CD1-CB 3.38Å; F678-A707 VanDerWaalsContact CD1-CB 3.44Å; F678-A707 HydrophobicContact CD2-CB 3.86Å; F678-A707 HydrophobicContact CE1-CB 3.92Å; F678-A707 HydrophobicContact CE2-CB 4.35Å; F678-A707 HydrophobicContact CG-CB 3.32Å; F678-A707 HydrophobicContact CZ-CB 4.37Å; A707-W748 HydrophobicContact CB-CE3 4.06Å; A707-W748 HydrophobicContact CB-CZ3 4.26Å; A707-K749 CarbonylContact C-O 3.46Å; A707-K749 WeakPolarHBondContact CA-O 3.44Å; A707-F750 HydrophobicContact CB-CD2 3.97Å; A707-L793 WeakPolarHBondContact O-CA 3.35Å; A707-D794 WeakPolarHBondContact CA-O 3.47Å; A707-D794 HydrophobicContact CB-CB 4.17Å; A707-D794 WeakPolarHBondContact CB-O 3.21Å; A707-D794 PolarHBondContact N-O 3.11Å; A707-D794 PolarHBondContact O-N 2.97Å; A707-D794 VanDerWaalsContact O-O 3.13Å |
| 708 | I | 93.3 | Very high | 92.9 | Very high | 1 Ų | 1 | 25.3 Ų | 25.3 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 141.6 | -176.8 | -166.5 | 152.2 | 0 | 0 | 0 | 112.8 | F706 T712 W748 K749 I778 L791 F792 | F706-I708 HydrophobicContact CD2-CB 4.17Å; F706-I708 HydrophobicContact CD2-CG2 4.29Å; F706-I708 HydrophobicContact CE2-CB 4.37Å; F706-I708 HydrophobicContact CE2-CD1 4.37Å; F706-I708 HydrophobicContact CE2-CG2 4.13Å; I708-T712 HydrophobicContact CD1-CG2 3.66Å; I708-T712 HydrophobicContact CG1-CG2 4.07Å; I708-W748 VanDerWaalsContact C-CE3 3.46Å; I708-W748 CarbonylContact O-C 3.49Å; I708-K749 HydrophobicContact CG2-CB 3.95Å; I708-K749 HydrophobicContact CG2-CD 4.4Å; I708-K749 PolarHBondContact N-O 2.84Å; I708-K749 WeakPolarHBondContact O-CB 3.15Å; I708-K749 PolarHBondContact O-N 2.82Å; I708-I778 HydrophobicContact CD1-CB 4.13Å; I708-I778 HydrophobicContact CD1-CD1 3.35Å; I708-I778 HydrophobicContact CD1-CG1 4.31Å; I708-I778 HydrophobicContact CD1-CG2 3.67Å; I708-L791 HydrophobicContact CD1-CD1 3.88Å; I708-L791 HydrophobicContact CD1-CD2 4.28Å; I708-L791 HydrophobicContact CD1-CG 4.35Å; I708-L791 HydrophobicContact CG1-CD1 3.81Å; I708-L791 HydrophobicContact CG1-CG 4.38Å; I708-F792 VanDerWaalsContact CA-O 3.32Å; I708-F792 WeakPolarHBondContact CA-O 3.39Å |
| 709 | K | 91.4 | Very high | 93 | Very high | 25 Ų | 25 | 27.2 Ų | 27.2 | 11% | 0.109 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 139.7 | 177.2 | 169.2 | 173.9 | 136.5 | 167 | 0 | 109.7 | T675 V676 N746 W748 F792 | T675-K709 WeakPolarHBondContact OG1-CE 3.41Å; T675-K709 PolarHBondContact OG1-NZ 3.18Å; T675-K709 VanDerWaalsContact OG1-NZ 3.08Å; V676-K709 PolarHBondContact O-NZ 2.78Å; K709-N746 WeakPolarHBondContact CD-O 3.2Å; K709-N746 WeakPolarHBondContact CE-O 3.43Å; K709-N746 PolarHBondContact NZ-O 3.13Å; K709-W748 HydrophobicContact CB-CD2 3.67Å; K709-W748 HydrophobicContact CB-CE3 3.54Å; K709-W748 HydrophobicContact CB-CG 4.24Å; K709-W748 HydrophobicContact CB-CH2 4.23Å; K709-W748 HydrophobicContact CB-CZ2 4.34Å; K709-W748 HydrophobicContact CB-CZ3 3.85Å; K709-W748 HydrophobicContact CD-CD2 4.19Å; K709-W748 HydrophobicContact CD-CG 4.35Å; K709-W748 HydrophobicContact CD-CZ2 4.35Å; K709-W748 VanDerWaalsContact CE-CZ2 3.42Å; K709-F792 HydrophobicContact CB-CB 4.29Å; K709-F792 HydrophobicContact CD-CD2 4.43Å; K709-F792 HydrophobicContact CG-CD2 4.28Å; K709-F792 PolarHBondContact N-O 2.92Å; K709-F792 PolarHBondContact O-N 2.79Å |
| 710 | G | 88.6 | Confident | 93 | Very high | 9.33333 Ų | 9.33333 | 24.6 Ų | 24.6 | 10% | 0.096 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 108.9 | -166.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T712 E745 S790 | G710-T712 PolarHBondContact O-N 3.1Å; G710-T712 PolarHBondContact O-OG1 3.31Å; G710-E745 WeakPolarHBondContact CA-O 3.41Å; G710-E745 PolarHBondContact N-O 3.29Å; G710-E745 VanDerWaalsContact N-O 3.15Å; G710-S790 VanDerWaalsContact CA-O 3.24Å; G710-S790 WeakPolarHBondContact CA-O 3.48Å |
| 711 | K | 83.3 | Confident | 93 | Very high | 45.6667 Ų | 45.6667 | 21.2 Ų | 21.2 | 20% | 0.199 | 11% | 0.107 | C | C | . | . | trans | -82.1 | 110 | -172 | -72.1 | -175.2 | 174.6 | -179.4 | 0 | 112 | E745 P780 R781 E786 S790 | K711-E745 WeakPolarHBondContact CE-OE2 3.21Å; K711-E745 HydrophobicContact CG-CG 4.46Å; K711-E745 WeakPolarHBondContact CG-OE1 3.49Å; K711-E745 VanDerWaalsContact CG-OE2 3.25Å; K711-E745 WeakPolarHBondContact CG-OE2 3.39Å; K711-E745 IonicContact NZ-OE2 3.27Å; K711-P780 VanDerWaalsContact O-CA 3.27Å; K711-P780 WeakPolarHBondContact O-CA 3.31Å; K711-R781 HydrophobicContact CB-CB 4.48Å; K711-R781 PolarHBondContact O-N 3.04Å; K711-R781 VanDerWaalsContact O-N 3.1Å; K711-E786 IonicContact NZ-OE1 3.46Å; K711-E786 PolarHBondContact NZ-OE1 2.85Å; K711-E786 IonicContact NZ-OE2 2.71Å; K711-E786 PolarHBondContact NZ-OE2 3.14Å; K711-S790 PolarHBondContact N-O 3.14Å | ||
| 712 | T | 85.7 | Confident | 92.8 | Very high | 3.33333 Ų | 3.33333 | 20.3 Ų | 20.3 | 2% | 0.02 | 10% | 0.102 | C | C | . | . | B | Isolated β-bridge | trans | -122.8 | 146.5 | 179.3 | 47.4 | 0 | 0 | 0 | 0 | 110.8 | I708 G710 L740 I778 P779 R781 L791 | I708-T712 HydrophobicContact CD1-CG2 3.66Å; I708-T712 HydrophobicContact CG1-CG2 4.07Å; G710-T712 PolarHBondContact O-N 3.1Å; G710-T712 PolarHBondContact O-OG1 3.31Å; T712-L740 HydrophobicContact CG2-CD1 4.11Å; T712-L740 WeakPolarHBondContact OG1-CB 3.28Å; T712-L740 PolarHBondContact OG1-O 2.94Å; T712-I778 HydrophobicContact CG2-CG2 3.7Å; T712-P779 WeakPolarHBondContact CA-O 3.32Å; T712-R781 VanDerWaalsContact C-CB 3.4Å; T712-R781 VanDerWaalsContact O-CB 3.23Å; T712-R781 WeakPolarHBondContact O-CB 3.34Å; T712-L791 HydrophobicContact CG2-CD1 3.28Å; T712-L791 HydrophobicContact CG2-CD2 4.47Å; T712-L791 HydrophobicContact CG2-CG 4.46Å |
| 713 | E | 86.3 | Confident | 92.6 | Very high | 88.3333 Ų | 88.3333 | 21.3 Ų | 21.3 | 41% | 0.413 | 11% | 0.106 | S | C | . | . | trans | -65 | 162.7 | 159.6 | -66.6 | -173.1 | 178.7 | 0 | 0 | 109.8 | S715 P779 R781 | E713-S715 WeakPolarHBondContact CB-OG 3.34Å; E713-S715 PolarHBondContact O-N 3.21Å; E713-S715 PolarHBondContact OE2-OG 2.9Å; E713-P779 HydrophobicContact CB-CB 4.18Å; E713-P779 VanDerWaalsContact CD-CB 3.42Å; E713-P779 HydrophobicContact CG-CB 3.98Å; E713-P779 PolarHBondContact N-O 3.01Å; E713-P779 WeakPolarHBondContact OE2-CB 3.34Å; E713-R781 HydrophobicContact CG-CB 4.24Å | ||
| 714 | N | 88.7 | Confident | 92.1 | Very high | 66.3333 Ų | 66.3333 | 19 Ų | 19 | 36% | 0.355 | 10% | 0.101 | S | C | . | . | S | Bend | trans | -80.8 | 47.5 | 170.5 | -76.5 | -15.2 | 0 | 0 | 0 | 111.3 | S737 I738 D739 L740 T741 | N714-S737 CarbonylContact O-C 3.45Å; N714-S737 VanDerWaalsContact O-CA 3.26Å; N714-S737 WeakPolarHBondContact O-CA 3.15Å; N714-I738 CarbonylContact C-O 3.55Å; N714-I738 WeakPolarHBondContact CA-O 3.33Å; N714-I738 VanDerWaalsContact CB-O 3.24Å; N714-I738 WeakPolarHBondContact CB-O 3.45Å; N714-I738 PolarHBondContact O-N 3.17Å; N714-I738 VanDerWaalsContact O-O 3.11Å; N714-D739 PolarHBondContact OD1-OD1 3.26Å; N714-L740 PolarHBondContact OD1-N 3.28Å; N714-T741 PolarHBondContact ND2-OG1 3.21Å; N714-T741 VanDerWaalsContact ND2-OG1 3.11Å; N714-T741 VanDerWaalsContact OD1-CG2 3.28Å; N714-T741 WeakPolarHBondContact OD1-CG2 3.36Å; N714-T741 PolarHBondContact OD1-N 3.17Å; N714-T741 VanDerWaalsContact OD1-N 3.11Å; N714-T741 PolarHBondContact OD1-OG1 2.87Å; N714-T741 VanDerWaalsContact OD1-OG1 3.1Å |
| 715 | S | 91 | Very high | 91.4 | Very high | 9.33333 Ų | 9.33333 | 25.6 Ų | 25.6 | 7% | 0.065 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 150.8 | -175.4 | 75.7 | 0 | 0 | 0 | 0 | 112.8 | E713 Y736 P779 | E713-S715 WeakPolarHBondContact CB-OG 3.34Å; E713-S715 PolarHBondContact O-N 3.21Å; E713-S715 PolarHBondContact OE2-OG 2.9Å; S715-Y736 CarbonylContact C-O 3.56Å; S715-Y736 VanDerWaalsContact CA-O 3.29Å; S715-Y736 WeakPolarHBondContact CA-O 3.47Å; S715-P779 VanDerWaalsContact O-CD 3.26Å; S715-P779 WeakPolarHBondContact O-CD 3.27Å; S715-P779 WeakPolarHBondContact OG-CD 3.27Å; S715-P779 WeakPolarHBondContact OG-CG 3.41Å |
| 716 | V | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130.3 | 167.5 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | F706 F718 Y736 I738 L740 I753 F776 A777 I778 | F706-V716 HydrophobicContact CZ-CG2 4.16Å; V716-F718 HydrophobicContact CB-CE2 4.18Å; V716-F718 HydrophobicContact CB-CZ 4.17Å; V716-F718 HydrophobicContact CG1-CD1 4.46Å; V716-F718 HydrophobicContact CG1-CD2 4.37Å; V716-F718 HydrophobicContact CG1-CE1 3.92Å; V716-F718 HydrophobicContact CG1-CE2 3.89Å; V716-F718 HydrophobicContact CG1-CZ 3.56Å; V716-Y736 PolarHBondContact N-O 3.2Å; V716-Y736 PolarHBondContact O-N 2.99Å; V716-I738 HydrophobicContact CB-CG2 4.46Å; V716-I738 HydrophobicContact CG2-CG2 3.67Å; V716-L740 HydrophobicContact CG2-CD1 4.2Å; V716-I753 HydrophobicContact CB-CD1 4.49Å; V716-I753 HydrophobicContact CG2-CD1 4.24Å; V716-F776 HydrophobicContact CG1-CB 4.33Å; V716-F776 HydrophobicContact CG1-CD2 4.32Å; V716-A777 WeakPolarHBondContact CA-O 3.39Å; V716-I778 HydrophobicContact CG1-CG1 4.37Å; V716-I778 HydrophobicContact CG2-CG1 4.3Å |
| 717 | N | 95.3 | Very high | 89.8 | Confident | 42.3333 Ų | 42.3333 | 32.7 Ų | 32.7 | 23% | 0.226 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 134.6 | 178.1 | -67.4 | -33.1 | 0 | 0 | 0 | 110 | L734 T735 F776 A777 P779 | N717-L734 CarbonylContact C-O 3.55Å; N717-L734 WeakPolarHBondContact CA-O 3.33Å; N717-T735 WeakPolarHBondContact OD1-CA 3.33Å; N717-T735 VanDerWaalsContact OD1-CB 3.26Å; N717-T735 WeakPolarHBondContact OD1-CB 3.42Å; N717-T735 VanDerWaalsContact OD1-CG2 3.31Å; N717-T735 WeakPolarHBondContact OD1-CG2 3.39Å; N717-T735 PolarHBondContact OD1-OG1 2.92Å; N717-F776 CarbonylContact O-C 3.53Å; N717-F776 VanDerWaalsContact O-CA 3.26Å; N717-F776 WeakPolarHBondContact O-CA 3.37Å; N717-A777 HydrophobicContact CB-CB 4.23Å; N717-A777 PolarHBondContact N-O 3.04Å; N717-A777 PolarHBondContact O-N 3.01Å; N717-P779 VanDerWaalsContact ND2-CG 3.3Å; N717-P779 WeakPolarHBondContact ND2-CG 3.32Å |
| 718 | F | 96.9 | Very high | 89.4 | Confident | 1.33333 Ų | 1.33333 | 41.3 Ų | 41.3 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 127 | 178.7 | -61.6 | -80 | 0 | 0 | 0 | 110 | L704 V716 T733 L734 I753 V755 L758 L773 F776 | L704-F718 HydrophobicContact CD2-CE1 3.75Å; L704-F718 HydrophobicContact CD2-CZ 4.45Å; V716-F718 HydrophobicContact CB-CE2 4.18Å; V716-F718 HydrophobicContact CB-CZ 4.17Å; V716-F718 HydrophobicContact CG1-CD1 4.46Å; V716-F718 HydrophobicContact CG1-CD2 4.37Å; V716-F718 HydrophobicContact CG1-CE1 3.92Å; V716-F718 HydrophobicContact CG1-CE2 3.89Å; V716-F718 HydrophobicContact CG1-CZ 3.56Å; F718-T733 CarbonylContact O-C 3.52Å; F718-T733 VanDerWaalsContact O-CA 3.28Å; F718-T733 WeakPolarHBondContact O-CA 3.14Å; F718-L734 PolarHBondContact N-O 3.22Å; F718-L734 PolarHBondContact O-N 3.22Å; F718-I753 HydrophobicContact CZ-CD1 4.2Å; F718-I753 HydrophobicContact CZ-CG2 4.31Å; F718-V755 HydrophobicContact CD1-CG1 4.16Å; F718-V755 HydrophobicContact CD1-CG2 4.36Å; F718-V755 HydrophobicContact CE1-CG1 4.22Å; F718-V755 HydrophobicContact CE1-CG2 3.84Å; F718-V755 HydrophobicContact CZ-CG2 4.21Å; F718-L758 HydrophobicContact CD2-CD2 3.8Å; F718-L758 HydrophobicContact CE2-CD1 4.3Å; F718-L758 HydrophobicContact CE2-CD2 3.4Å; F718-L758 HydrophobicContact CZ-CD2 4.04Å; F718-L773 HydrophobicContact CB-CD1 3.9Å; F718-L773 HydrophobicContact CD1-CD1 3.91Å; F718-L773 HydrophobicContact CD1-CD2 4.26Å; F718-L773 HydrophobicContact CG-CD1 4.37Å; F718-F776 HydrophobicContact CD1-CB 3.89Å; F718-F776 HydrophobicContact CE1-CB 4.04Å |
| 719 | L | 96.9 | Very high | 89 | Confident | 41 Ų | 41 | 43.6 Ų | 43.6 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 115.7 | 168.7 | -177.8 | 67.2 | 0 | 0 | 0 | 108.8 | K731 Q732 L773 E774 S775 | L719-K731 HydrophobicContact CD1-CB 4.1Å; L719-Q732 WeakPolarHBondContact CA-O 3.37Å; L719-L773 WeakPolarHBondContact O-CD1 3.33Å; L719-E774 HydrophobicContact CD2-CB 4.24Å; L719-E774 HydrophobicContact CD2-CG 4.13Å; L719-E774 HydrophobicContact CG-CB 4.22Å; L719-E774 WeakPolarHBondContact O-CB 3.35Å; L719-E774 PolarHBondContact O-N 3.24Å; L719-S775 WeakPolarHBondContact CB-OG 3.22Å; L719-S775 PolarHBondContact N-O 3.15Å; L719-S775 PolarHBondContact O-N 3.11Å |
| 720 | Y | 95.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 162.2 | -171.1 | 72.6 | -81.8 | 0 | 0 | 0 | 113.2 | A722 K731 Q732 L734 L759 D762 N765 F771 Q772 | Y720-A722 HydrophobicContact CD2-CB 4.12Å; Y720-A722 HydrophobicContact CE2-CB 3.71Å; Y720-K731 PolarHBondContact O-N 3.14Å; Y720-Q732 HydrophobicContact CD1-CB 4.06Å; Y720-Q732 VanDerWaalsContact CD1-O 3.27Å; Y720-Q732 WeakPolarHBondContact CD1-O 3.26Å; Y720-Q732 HydrophobicContact CD2-CB 4.34Å; Y720-Q732 HydrophobicContact CE1-CB 3.53Å; Y720-Q732 WeakPolarHBondContact CE1-O 3.38Å; Y720-Q732 HydrophobicContact CE2-CB 3.84Å; Y720-Q732 HydrophobicContact CE2-CG 4.36Å; Y720-Q732 HydrophobicContact CG-CB 4.43Å; Y720-Q732 VanDerWaalsContact CZ-CB 3.42Å; Y720-Q732 PolarHBondContact N-O 2.86Å; Y720-Q732 PolarHBondContact O-N 3.16Å; Y720-L734 HydrophobicContact CD1-CB 4.45Å; Y720-L734 HydrophobicContact CE1-CB 3.79Å; Y720-L759 HydrophobicContact CD1-CD2 3.53Å; Y720-L759 VanDerWaalsContact CD1-CD2 3.44Å; Y720-L759 HydrophobicContact CD2-CD1 4.17Å; Y720-L759 HydrophobicContact CD2-CD2 3.84Å; Y720-L759 HydrophobicContact CE1-CD2 3.58Å; Y720-L759 HydrophobicContact CE2-CD2 3.9Å; Y720-L759 HydrophobicContact CG-CD1 4.21Å; Y720-L759 HydrophobicContact CG-CD2 3.67Å; Y720-D762 PolarHBondContact OH-OD2 3.1Å; Y720-N765 WeakPolarHBondContact CE2-ND2 3.33Å; Y720-N765 WeakPolarHBondContact CE2-OD1 3.31Å; Y720-N765 PolarHBondContact OH-ND2 3.11Å; Y720-N765 PolarHBondContact OH-OD1 3.01Å; Y720-N765 VanDerWaalsContact OH-OD1 3.08Å; Y720-F771 HydrophobicContact CD2-CD1 4.36Å; Y720-F771 HydrophobicContact CE2-CD1 4.36Å; Y720-Q772 CarbonylContact C-O 3.52Å; Y720-Q772 VanDerWaalsContact CA-O 3.26Å; Y720-Q772 WeakPolarHBondContact CA-O 3.31Å; Y720-Q772 WeakPolarHBondContact CB-O 3.41Å |
| 721 | N | 94.3 | Very high | 88.9 | Confident | 10.6667 Ų | 10.6667 | 52.1 Ų | 52.1 | 6% | 0.057 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 133.7 | 167.9 | -56.9 | -56.1 | 0 | 0 | 0 | 109 | L729 L730 K731 F771 Q772 | N721-L729 CarbonylContact C-O 3.52Å; N721-L729 WeakPolarHBondContact CA-O 3.44Å; N721-L730 HydrophobicContact CB-CD2 3.98Å; N721-L730 VanDerWaalsContact OD1-CA 3.26Å; N721-L730 WeakPolarHBondContact OD1-CA 3.31Å; N721-L730 WeakPolarHBondContact OD1-CB 3.29Å; N721-L730 WeakPolarHBondContact OD1-CD2 3.27Å; N721-K731 PolarHBondContact OD1-N 3.12Å; N721-F771 WeakPolarHBondContact O-CA 3.14Å; N721-Q772 HydrophobicContact CB-CB 4.31Å; N721-Q772 PolarHBondContact N-O 2.85Å; N721-Q772 PolarHBondContact O-N 2.84Å |
| 722 | A | 93 | Very high | 89.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 116.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y720 L729 N765 A768 F771 | Y720-A722 HydrophobicContact CD2-CB 4.12Å; Y720-A722 HydrophobicContact CE2-CB 3.71Å; A722-L729 HydrophobicContact CB-CB 4.25Å; A722-L729 PolarHBondContact N-O 3.21Å; A722-L729 PolarHBondContact O-N 3.12Å; A722-N765 WeakPolarHBondContact CB-OD1 3.29Å; A722-A768 HydrophobicContact CB-CB 3.66Å; A722-F771 HydrophobicContact CB-CD1 3.98Å; A722-F771 HydrophobicContact CB-CE1 3.83Å |
| 723 | I | 91.6 | Very high | 89.6 | Confident | 40 Ų | 40 | 55.4 Ų | 55.4 | 21% | 0.205 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 121.8 | -172.4 | -50.8 | 174.7 | 0 | 0 | 0 | 108.2 | R728 T769 I770 | I723-R728 HydrophobicContact CG1-CG 4.34Å; I723-R728 HydrophobicContact CG2-CG 4.43Å; I723-T769 PolarHBondContact O-N 3.04Å; I723-T769 PolarHBondContact O-OG1 2.94Å; I723-I770 HydrophobicContact CB-CB 4.25Å; I723-I770 PolarHBondContact N-O 3.07Å; I723-I770 PolarHBondContact O-N 2.98Å |
| 724 | G | 86.6 | Confident | 89.9 | Confident | 15.3333 Ų | 15.3333 | 52.5 Ų | 52.5 | 16% | 0.158 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | -175.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T726 S727 N767 | G724-T726 VanDerWaalsContact C-N 3.34Å; G724-T726 PolarHBondContact O-N 2.72Å; G724-S727 WeakPolarHBondContact CA-O 3.34Å; G724-S727 PolarHBondContact N-O 3.07Å; G724-N767 VanDerWaalsContact CA-O 3.29Å; G724-N767 WeakPolarHBondContact CA-O 3.31Å |
| 725 | V | 80.2 | Confident | 90.1 | Very high | 138.667 Ų | 138.667 | 53.3 Ų | 53.3 | 84% | 0.84 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -67.5 | -36.9 | 179.7 | -175.6 | 0 | 0 | 0 | 0 | 111.6 | ||
| 726 | T | 79.9 | Confident | 90.2 | Very high | 122 Ų | 122 | 56.9 Ų | 56.9 | 75% | 0.748 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -118.2 | -6.1 | -176.9 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | G724 | G724-T726 VanDerWaalsContact C-N 3.34Å; G724-T726 PolarHBondContact O-N 2.72Å |
| 727 | S | 78.3 | Confident | 90 | Very high | 26.3333 Ų | 26.3333 | 61.5 Ų | 61.5 | 18% | 0.184 | 33% | 0.329 | C | S | . | . | trans | -130.7 | 130.1 | -175.3 | 60.4 | 0 | 0 | 0 | 0 | 111 | G724 N767 | G724-S727 WeakPolarHBondContact CA-O 3.34Å; G724-S727 PolarHBondContact N-O 3.07Å; S727-N767 WeakPolarHBondContact OG-CB 3.36Å | ||
| 728 | R | 85.4 | Confident | 89.7 | Confident | 181 Ų | 181 | 60.6 Ų | 60.6 | 68% | 0.683 | 32% | 0.324 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 92.8 | 174.2 | -170.4 | -178.1 | -175.3 | -165.6 | -1.4 | 108.9 | I723 L730 | I723-R728 HydrophobicContact CG1-CG 4.34Å; I723-R728 HydrophobicContact CG2-CG 4.43Å; R728-L730 HydrophobicContact CG-CD2 4.03Å; R728-L730 HydrophobicContact CG-CG 4.18Å |
| 729 | L | 85.6 | Confident | 89.1 | Confident | 49 Ų | 49 | 65.1 Ų | 65.1 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 110 | 176.8 | -57.5 | 179.4 | 0 | 0 | 0 | 108.4 | N721 A722 Q732 R764 | N721-L729 CarbonylContact C-O 3.52Å; N721-L729 WeakPolarHBondContact CA-O 3.44Å; A722-L729 HydrophobicContact CB-CB 4.25Å; A722-L729 PolarHBondContact N-O 3.21Å; A722-L729 PolarHBondContact O-N 3.12Å; L729-Q732 HydrophobicContact CB-CG 3.57Å; L729-Q732 HydrophobicContact CD1-CG 4.39Å; L729-R764 HydrophobicContact CD1-CB 4.21Å; L729-R764 VanDerWaalsContact CD1-O 3.24Å; L729-R764 WeakPolarHBondContact CD1-O 3.36Å |
| 730 | L | 88.5 | Confident | 88.4 | Confident | 78.3333 Ų | 78.3333 | 63.2 Ų | 63.2 | 41% | 0.41 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 149.4 | 177 | -59.5 | 179 | 0 | 0 | 0 | 110.1 | N721 R728 Q732 | N721-L730 HydrophobicContact CB-CD2 3.98Å; N721-L730 VanDerWaalsContact OD1-CA 3.26Å; N721-L730 WeakPolarHBondContact OD1-CA 3.31Å; N721-L730 WeakPolarHBondContact OD1-CB 3.29Å; N721-L730 WeakPolarHBondContact OD1-CD2 3.27Å; R728-L730 HydrophobicContact CG-CD2 4.03Å; R728-L730 HydrophobicContact CG-CG 4.18Å; L730-Q732 VanDerWaalsContact C-N 3.29Å; L730-Q732 PolarHBondContact O-N 3.15Å; L730-Q732 VanDerWaalsContact O-N 3.16Å; L730-Q732 PolarHBondContact O-NE2 2.89Å |
| 731 | K | 89.4 | Confident | 87.1 | Confident | 134.333 Ų | 134.333 | 65.5 Ų | 65.5 | 58% | 0.584 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.3 | 44.4 | 175 | -63.9 | -172.6 | 172.2 | -138.6 | 0 | 113.7 | L719 Y720 N721 E774 | L719-K731 HydrophobicContact CD1-CB 4.1Å; Y720-K731 PolarHBondContact O-N 3.14Å; N721-K731 PolarHBondContact OD1-N 3.12Å; K731-E774 IonicContact NZ-OE1 3.57Å; K731-E774 PolarHBondContact NZ-OE1 2.98Å; K731-E774 IonicContact NZ-OE2 2.89Å; K731-E774 PolarHBondContact NZ-OE2 3.03Å |
| 732 | Q | 91.6 | Very high | 85.6 | Confident | 45 Ų | 45 | 69.8 Ų | 69.8 | 21% | 0.21 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 144.1 | 173.9 | -61.6 | -54.8 | -68.3 | 0 | 0 | 110.3 | L719 Y720 L729 L730 | L719-Q732 WeakPolarHBondContact CA-O 3.37Å; Y720-Q732 HydrophobicContact CD1-CB 4.06Å; Y720-Q732 VanDerWaalsContact CD1-O 3.27Å; Y720-Q732 WeakPolarHBondContact CD1-O 3.26Å; Y720-Q732 HydrophobicContact CD2-CB 4.34Å; Y720-Q732 HydrophobicContact CE1-CB 3.53Å; Y720-Q732 WeakPolarHBondContact CE1-O 3.38Å; Y720-Q732 HydrophobicContact CE2-CB 3.84Å; Y720-Q732 HydrophobicContact CE2-CG 4.36Å; Y720-Q732 HydrophobicContact CG-CB 4.43Å; Y720-Q732 VanDerWaalsContact CZ-CB 3.42Å; Y720-Q732 PolarHBondContact N-O 2.86Å; Y720-Q732 PolarHBondContact O-N 3.16Å; L729-Q732 HydrophobicContact CB-CG 3.57Å; L729-Q732 HydrophobicContact CD1-CG 4.39Å; L730-Q732 VanDerWaalsContact C-N 3.29Å; L730-Q732 PolarHBondContact O-N 3.15Å; L730-Q732 VanDerWaalsContact O-N 3.16Å; L730-Q732 PolarHBondContact O-NE2 2.89Å |
| 733 | T | 92.2 | Very high | 84.2 | Confident | 74.3333 Ų | 74.3333 | 80.5 Ų | 80.5 | 46% | 0.456 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 131.4 | 173.7 | -50.5 | 0 | 0 | 0 | 0 | 109.9 | F718 R764 | F718-T733 CarbonylContact O-C 3.52Å; F718-T733 VanDerWaalsContact O-CA 3.28Å; F718-T733 WeakPolarHBondContact O-CA 3.14Å; T733-R764 PolarHBondContact O-NH1 3.07Å; T733-R764 PolarHBondContact O-NH2 3.03Å |
| 734 | L | 92.9 | Very high | 83.3 | Confident | 26.3333 Ų | 26.3333 | 82 Ų | 82 | 14% | 0.138 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 127.2 | 169.5 | 177.1 | 66.6 | 0 | 0 | 0 | 109.5 | N717 F718 Y720 L758 L759 D762 | N717-L734 CarbonylContact C-O 3.55Å; N717-L734 WeakPolarHBondContact CA-O 3.33Å; F718-L734 PolarHBondContact N-O 3.22Å; F718-L734 PolarHBondContact O-N 3.22Å; Y720-L734 HydrophobicContact CD1-CB 4.45Å; Y720-L734 HydrophobicContact CE1-CB 3.79Å; L734-L758 HydrophobicContact CD2-CB 4.49Å; L734-L758 HydrophobicContact CD2-CD1 3.96Å; L734-L758 HydrophobicContact CD2-CD2 4.42Å; L734-L758 HydrophobicContact CD2-CG 3.78Å; L734-L759 HydrophobicContact CB-CD2 4.4Å; L734-L759 HydrophobicContact CD2-CD2 3.83Å; L734-D762 HydrophobicContact CD1-CB 4.44Å; L734-D762 HydrophobicContact CD2-CB 4.46Å |
| 735 | T | 92.9 | Very high | 82.8 | Confident | 84 Ų | 84 | 84 Ų | 84 | 52% | 0.515 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 127.1 | 170.8 | -57.6 | 0 | 0 | 0 | 0 | 109 | N717 | N717-T735 WeakPolarHBondContact OD1-CA 3.33Å; N717-T735 VanDerWaalsContact OD1-CB 3.26Å; N717-T735 WeakPolarHBondContact OD1-CB 3.42Å; N717-T735 VanDerWaalsContact OD1-CG2 3.31Å; N717-T735 WeakPolarHBondContact OD1-CG2 3.39Å; N717-T735 PolarHBondContact OD1-OG1 2.92Å |
| 736 | Y | 92.1 | Very high | 82.8 | Confident | 85.3333 Ų | 85.3333 | 83.4 Ų | 83.4 | 34% | 0.335 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126.1 | 177.7 | 173.4 | -120 | 0 | 0 | 0 | 110.3 | S715 V716 I738 I753 L758 | S715-Y736 CarbonylContact C-O 3.56Å; S715-Y736 VanDerWaalsContact CA-O 3.29Å; S715-Y736 WeakPolarHBondContact CA-O 3.47Å; V716-Y736 PolarHBondContact N-O 3.2Å; V716-Y736 PolarHBondContact O-N 2.99Å; Y736-I738 HydrophobicContact CD1-CB 4.06Å; Y736-I738 HydrophobicContact CD1-CG2 4.22Å; Y736-I738 HydrophobicContact CE1-CB 3.75Å; Y736-I738 HydrophobicContact CE1-CD1 4.35Å; Y736-I738 HydrophobicContact CE1-CG1 4.46Å; Y736-I738 HydrophobicContact CE1-CG2 4.39Å; Y736-I753 HydrophobicContact CD1-CD1 4.35Å; Y736-I753 HydrophobicContact CD1-CG2 4.37Å; Y736-I753 HydrophobicContact CE1-CD1 4.41Å; Y736-I753 HydrophobicContact CE1-CG2 4.2Å; Y736-L758 HydrophobicContact CD1-CD1 3.59Å; Y736-L758 HydrophobicContact CD1-CD2 4.12Å; Y736-L758 HydrophobicContact CD2-CD1 3.67Å; Y736-L758 VanDerWaalsContact CD2-CD1 3.42Å; Y736-L758 HydrophobicContact CD2-CD2 3.78Å; Y736-L758 HydrophobicContact CD2-CG 4.34Å; Y736-L758 HydrophobicContact CE1-CD1 3.81Å; Y736-L758 HydrophobicContact CE1-CD2 4.44Å; Y736-L758 HydrophobicContact CE2-CD1 4.07Å; Y736-L758 HydrophobicContact CE2-CD2 3.35Å; Y736-L758 HydrophobicContact CE2-CG 4.36Å; Y736-L758 HydrophobicContact CG-CD1 3.65Å; Y736-L758 HydrophobicContact CG-CD2 4.08Å; Y736-L758 HydrophobicContact CG-CG 4.42Å |
| 737 | S | 90.6 | Very high | 83.2 | Confident | 96.3333 Ų | 96.3333 | 80 Ų | 80 | 67% | 0.674 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 124.6 | 174.5 | -58.3 | 0 | 0 | 0 | 0 | 111 | N714 | N714-S737 CarbonylContact O-C 3.45Å; N714-S737 VanDerWaalsContact O-CA 3.26Å; N714-S737 WeakPolarHBondContact O-CA 3.15Å |
| 738 | I | 87.8 | Confident | 83.8 | Confident | 24 Ų | 24 | 79.5 Ų | 79.5 | 12% | 0.123 | 40% | 0.402 | C | S | . | . | trans | -143.3 | 139.7 | 178.1 | 177.1 | 167.7 | 0 | 0 | 0 | 108.7 | N714 V716 Y736 L740 K751 I753 | N714-I738 CarbonylContact C-O 3.55Å; N714-I738 WeakPolarHBondContact CA-O 3.33Å; N714-I738 VanDerWaalsContact CB-O 3.24Å; N714-I738 WeakPolarHBondContact CB-O 3.45Å; N714-I738 PolarHBondContact O-N 3.17Å; N714-I738 VanDerWaalsContact O-O 3.11Å; V716-I738 HydrophobicContact CB-CG2 4.46Å; V716-I738 HydrophobicContact CG2-CG2 3.67Å; Y736-I738 HydrophobicContact CD1-CB 4.06Å; Y736-I738 HydrophobicContact CD1-CG2 4.22Å; Y736-I738 HydrophobicContact CE1-CB 3.75Å; Y736-I738 HydrophobicContact CE1-CD1 4.35Å; Y736-I738 HydrophobicContact CE1-CG1 4.46Å; Y736-I738 HydrophobicContact CE1-CG2 4.39Å; I738-L740 HydrophobicContact CD1-CD2 4.49Å; I738-L740 HydrophobicContact CG1-CD2 4.39Å; I738-L740 HydrophobicContact CG2-CD1 4.22Å; I738-L740 HydrophobicContact CG2-CD2 4.37Å; I738-L740 HydrophobicContact CG2-CG 4.04Å; I738-L740 PolarHBondContact O-N 2.99Å; I738-K751 HydrophobicContact CD1-CB 4.22Å; I738-K751 HydrophobicContact CD1-CD 4.32Å; I738-K751 HydrophobicContact CD1-CG 4.17Å; I738-I753 HydrophobicContact CD1-CD1 3.88Å; I738-I753 HydrophobicContact CD1-CG1 3.96Å | ||
| 739 | D | 84.4 | Confident | 84 | Confident | 95 Ų | 95 | 71.5 Ų | 71.5 | 51% | 0.508 | 37% | 0.372 | S | S | . | . | trans | -70.7 | 109.4 | 175.2 | -172.6 | 15.7 | 0 | 0 | 0 | 110.6 | N714 T741 K751 | N714-D739 PolarHBondContact OD1-OD1 3.26Å; D739-T741 PolarHBondContact OD1-N 3.1Å; D739-T741 PolarHBondContact OD1-OG1 3.31Å; D739-K751 VanDerWaalsContact O-CE 3.29Å; D739-K751 WeakPolarHBondContact O-CE 3.23Å | ||
| 740 | L | 83 | Confident | 84.4 | Confident | 1.66667 Ų | 1.66667 | 69.2 Ų | 69.2 | 1% | 0.009 | 36% | 0.36 | C | S | . | . | trans | -113.5 | 5.2 | 170.9 | -59.1 | 178.2 | 0 | 0 | 0 | 110.7 | T712 N714 V716 I738 K749 K751 I778 | T712-L740 HydrophobicContact CG2-CD1 4.11Å; T712-L740 WeakPolarHBondContact OG1-CB 3.28Å; T712-L740 PolarHBondContact OG1-O 2.94Å; N714-L740 PolarHBondContact OD1-N 3.28Å; V716-L740 HydrophobicContact CG2-CD1 4.2Å; I738-L740 HydrophobicContact CD1-CD2 4.49Å; I738-L740 HydrophobicContact CG1-CD2 4.39Å; I738-L740 HydrophobicContact CG2-CD1 4.22Å; I738-L740 HydrophobicContact CG2-CD2 4.37Å; I738-L740 HydrophobicContact CG2-CG 4.04Å; I738-L740 PolarHBondContact O-N 2.99Å; L740-K749 WeakPolarHBondContact O-CD 3.3Å; L740-K749 WeakPolarHBondContact O-CE 3.28Å; L740-K749 PolarHBondContact O-NZ 3.16Å; L740-K751 HydrophobicContact CD2-CG 3.85Å; L740-I778 HydrophobicContact CD1-CG2 3.84Å | ||
| 741 | T | 69.6 | Low | 84.6 | Confident | 48.6667 Ų | 48.6667 | 67.3 Ų | 67.3 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | trans | -89.2 | 130.7 | 178.4 | 41.4 | 0 | 0 | 0 | 0 | 111.7 | N714 D739 | N714-T741 PolarHBondContact ND2-OG1 3.21Å; N714-T741 VanDerWaalsContact ND2-OG1 3.11Å; N714-T741 VanDerWaalsContact OD1-CG2 3.28Å; N714-T741 WeakPolarHBondContact OD1-CG2 3.36Å; N714-T741 PolarHBondContact OD1-N 3.17Å; N714-T741 VanDerWaalsContact OD1-N 3.11Å; N714-T741 PolarHBondContact OD1-OG1 2.87Å; N714-T741 VanDerWaalsContact OD1-OG1 3.1Å; D739-T741 PolarHBondContact OD1-N 3.1Å; D739-T741 PolarHBondContact OD1-OG1 3.31Å | ||
| 742 | L | 62.1 | Low | 84.8 | Confident | 99.6667 Ų | 99.6667 | 62.3 Ų | 62.3 | 52% | 0.522 | 33% | 0.33 | S | S | . | . | trans | -126.9 | 166 | 169.9 | -80.4 | -179.8 | 0 | 0 | 0 | 109.2 | D744 K749 | L742-D744 VanDerWaalsContact C-N 3.26Å; L742-D744 PolarHBondContact O-N 3.25Å; L742-K749 HydrophobicContact CD1-CD 4.11Å; L742-K749 HydrophobicContact CD1-CG 3.72Å; L742-K749 HydrophobicContact CG-CD 4.12Å; L742-K749 HydrophobicContact CG-CG 4.35Å; L742-K749 VanDerWaalsContact N-NZ 3.18Å | ||
| 743 | K | 62.5 | Low | 85 | Confident | 226 Ų | 226 | 60.5 Ų | 60.5 | 98% | 0.983 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -62.9 | -24.9 | 170.3 | -72.1 | -173.2 | 176.5 | -175.9 | 0 | 113.4 | ||
| 744 | D | 74.1 | Confident | 85.2 | Confident | 70.6667 Ų | 70.6667 | 58.9 Ų | 58.9 | 38% | 0.378 | 31% | 0.31 | S | S | . | . | trans | -118.5 | 117.6 | 175.5 | 178.9 | 22.6 | 0 | 0 | 0 | 111.1 | L742 N746 S747 | L742-D744 VanDerWaalsContact C-N 3.26Å; L742-D744 PolarHBondContact O-N 3.25Å; D744-N746 VanDerWaalsContact C-N 3.29Å; D744-N746 PolarHBondContact O-N 2.72Å; D744-N746 WeakPolarHBondContact OD1-CB 3.35Å; D744-N746 PolarHBondContact OD1-N 2.82Å; D744-S747 VanDerWaalsContact OD2-CB 3.25Å; D744-S747 WeakPolarHBondContact OD2-CB 3.39Å; D744-S747 PolarHBondContact OD2-N 3.2Å; D744-S747 PolarHBondContact OD2-OG 2.79Å | ||
| 745 | E | 75.8 | Confident | 85.3 | Confident | 58.3333 Ų | 58.3333 | 57.6 Ų | 57.6 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -17.9 | 178.2 | -61.2 | -176.5 | 152.9 | 0 | 0 | 112.6 | G710 K711 R781 | G710-E745 WeakPolarHBondContact CA-O 3.41Å; G710-E745 PolarHBondContact N-O 3.29Å; G710-E745 VanDerWaalsContact N-O 3.15Å; K711-E745 WeakPolarHBondContact CE-OE2 3.21Å; K711-E745 HydrophobicContact CG-CG 4.46Å; K711-E745 WeakPolarHBondContact CG-OE1 3.49Å; K711-E745 VanDerWaalsContact CG-OE2 3.25Å; K711-E745 WeakPolarHBondContact CG-OE2 3.39Å; K711-E745 IonicContact NZ-OE2 3.27Å; E745-R781 IonicContact OE1-CZ 3.74Å; E745-R781 IonicContact OE1-NH2 3.07Å; E745-R781 PolarHBondContact OE1-NH2 2.95Å |
| 746 | N | 79.8 | Confident | 85.4 | Confident | 125 Ų | 125 | 54.6 Ų | 54.6 | 67% | 0.668 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -3.2 | -178.9 | -69.9 | -44.9 | 0 | 0 | 0 | 113.9 | K709 D744 | K709-N746 WeakPolarHBondContact CD-O 3.2Å; K709-N746 WeakPolarHBondContact CE-O 3.43Å; K709-N746 PolarHBondContact NZ-O 3.13Å; D744-N746 VanDerWaalsContact C-N 3.29Å; D744-N746 PolarHBondContact O-N 2.72Å; D744-N746 WeakPolarHBondContact OD1-CB 3.35Å; D744-N746 PolarHBondContact OD1-N 2.82Å |
| 747 | S | 87.9 | Confident | 85.5 | Confident | 50.6667 Ų | 50.6667 | 56.5 Ų | 56.5 | 35% | 0.354 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -92.1 | 144.4 | 176.9 | -76.2 | 0 | 0 | 0 | 0 | 112.1 | D744 | D744-S747 VanDerWaalsContact OD2-CB 3.25Å; D744-S747 WeakPolarHBondContact OD2-CB 3.39Å; D744-S747 PolarHBondContact OD2-N 3.2Å; D744-S747 PolarHBondContact OD2-OG 2.79Å |
| 748 | W | 91.6 | Very high | 85.6 | Confident | 15.6667 Ų | 15.6667 | 53 Ų | 53 | 6% | 0.059 | 27% | 0.27 | C | S | . | . | trans | -69.9 | 147.1 | 171.6 | -75.6 | 109.7 | 0 | 0 | 0 | 111.3 | T675 V676 A677 F678 A707 I708 K709 F792 D794 V811 F816 | T675-W748 HydrophobicContact CG2-CZ2 4.28Å; V676-W748 WeakPolarHBondContact O-CZ2 3.36Å; V676-W748 PolarHBondContact O-NE1 3.08Å; A677-W748 PolarHBondContact O-NE1 2.87Å; F678-W748 HydrophobicContact CB-CD2 3.79Å; F678-W748 HydrophobicContact CB-CE3 3.9Å; F678-W748 HydrophobicContact CB-CG 4.28Å; F678-W748 HydrophobicContact CB-CH2 4.32Å; F678-W748 HydrophobicContact CB-CZ2 4.21Å; F678-W748 HydrophobicContact CB-CZ3 4.17Å; F678-W748 HydrophobicContact CD2-CB 3.61Å; F678-W748 AromaticContact CD2-CD2 3.96Å; F678-W748 HydrophobicContact CD2-CD2 3.99Å; F678-W748 HydrophobicContact CD2-CE3 4.31Å; F678-W748 AromaticContact CD2-CG 3.69Å; F678-W748 HydrophobicContact CD2-CG 3.69Å; F678-W748 HydrophobicContact CE2-CB 4.05Å; F678-W748 HydrophobicContact CE2-CG 4.49Å; F678-W748 HydrophobicContact CG-CD2 4.36Å; F678-W748 HydrophobicContact CG-CE3 4.43Å; F678-W748 HydrophobicContact CG-CG 4.47Å; F678-W748 VanDerWaalsContact N-CE2 3.34Å; F678-W748 VanDerWaalsContact N-CZ2 3.29Å; A707-W748 HydrophobicContact CB-CE3 4.06Å; A707-W748 HydrophobicContact CB-CZ3 4.26Å; I708-W748 VanDerWaalsContact C-CE3 3.46Å; I708-W748 CarbonylContact O-C 3.49Å; K709-W748 HydrophobicContact CB-CD2 3.67Å; K709-W748 HydrophobicContact CB-CE3 3.54Å; K709-W748 HydrophobicContact CB-CG 4.24Å; K709-W748 HydrophobicContact CB-CH2 4.23Å; K709-W748 HydrophobicContact CB-CZ2 4.34Å; K709-W748 HydrophobicContact CB-CZ3 3.85Å; K709-W748 HydrophobicContact CD-CD2 4.19Å; K709-W748 HydrophobicContact CD-CG 4.35Å; K709-W748 HydrophobicContact CD-CZ2 4.35Å; K709-W748 VanDerWaalsContact CE-CZ2 3.42Å; W748-F792 HydrophobicContact CH2-CB 3.64Å; W748-F792 HydrophobicContact CZ2-CB 4.26Å; W748-F792 HydrophobicContact CZ3-CB 4.24Å; W748-F792 WeakPolarHBondContact CZ3-O 3.13Å; W748-D794 HydrophobicContact CH2-CB 3.62Å; W748-D794 HydrophobicContact CZ2-CB 4.47Å; W748-D794 HydrophobicContact CZ3-CB 3.75Å; W748-V811 VanDerWaalsContact O-CG1 3.23Å; W748-V811 WeakPolarHBondContact O-CG1 3.31Å; W748-F816 AromaticContact CD1-CE1 3.77Å; W748-F816 AromaticContact CD1-CZ 3.93Å | ||
| 749 | K | 89.6 | Confident | 85.9 | Confident | 12.3333 Ų | 12.3333 | 51.9 Ų | 51.9 | 5% | 0.054 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 146.6 | 175.1 | -57.6 | 161.8 | -164.1 | 173.5 | 0 | 107.6 | A707 I708 L740 L742 | A707-K749 CarbonylContact C-O 3.46Å; A707-K749 WeakPolarHBondContact CA-O 3.44Å; I708-K749 HydrophobicContact CG2-CB 3.95Å; I708-K749 HydrophobicContact CG2-CD 4.4Å; I708-K749 PolarHBondContact N-O 2.84Å; I708-K749 WeakPolarHBondContact O-CB 3.15Å; I708-K749 PolarHBondContact O-N 2.82Å; L740-K749 WeakPolarHBondContact O-CD 3.3Å; L740-K749 WeakPolarHBondContact O-CE 3.28Å; L740-K749 PolarHBondContact O-NZ 3.16Å; L742-K749 HydrophobicContact CD1-CD 4.11Å; L742-K749 HydrophobicContact CD1-CG 3.72Å; L742-K749 HydrophobicContact CG-CD 4.12Å; L742-K749 HydrophobicContact CG-CG 4.35Å; L742-K749 VanDerWaalsContact N-NZ 3.18Å |
| 750 | F | 93.2 | Very high | 86.3 | Confident | 0.666667 Ų | 0.666667 | 55 Ų | 55 | 0% | 0.003 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 128.1 | 173.8 | -166.8 | -96.4 | 0 | 0 | 0 | 108.8 | L650 F678 C705 F706 A707 T795 I803 P807 V810 V811 | L650-F750 HydrophobicContact CD1-CE2 4.18Å; L650-F750 HydrophobicContact CD1-CZ 4.22Å; L650-F750 HydrophobicContact CD2-CE2 4.24Å; L650-F750 HydrophobicContact CD2-CZ 4.14Å; F678-F750 HydrophobicContact CD1-CD2 4.49Å; F678-F750 AromaticContact CE1-CD2 3.76Å; F678-F750 HydrophobicContact CE1-CD2 3.76Å; F678-F750 HydrophobicContact CE1-CE2 4.22Å; F678-F750 HydrophobicContact CZ-CB 4.25Å; F678-F750 AromaticContact CZ-CD2 3.94Å; F678-F750 HydrophobicContact CZ-CD2 3.94Å; F678-F750 HydrophobicContact CZ-CG 4.39Å; C705-F750 HydrophobicContact CB-CE1 3.94Å; C705-F750 HydrophobicContact CB-CE2 4.48Å; C705-F750 HydrophobicContact CB-CZ 3.67Å; F706-F750 WeakPolarHBondContact O-CA 3.47Å; F706-F750 WeakPolarHBondContact O-CD2 3.35Å; A707-F750 HydrophobicContact CB-CD2 3.97Å; F750-T795 HydrophobicContact CE2-CG2 4.34Å; F750-I803 HydrophobicContact CE1-CB 4.39Å; F750-I803 HydrophobicContact CZ-CB 4.43Å; F750-I803 HydrophobicContact CZ-CD1 3.94Å; F750-I803 HydrophobicContact CZ-CG1 4.5Å; F750-P807 HydrophobicContact CD1-CB 4.17Å; F750-V810 HydrophobicContact CB-CB 4.13Å; F750-V810 HydrophobicContact CB-CG1 4.37Å; F750-V810 HydrophobicContact CD1-CB 3.63Å; F750-V810 HydrophobicContact CD1-CG1 3.7Å; F750-V810 HydrophobicContact CD1-CG2 3.86Å; F750-V810 HydrophobicContact CD2-CG1 4.14Å; F750-V810 HydrophobicContact CE1-CB 4.22Å; F750-V810 HydrophobicContact CE1-CG1 3.94Å; F750-V810 HydrophobicContact CE1-CG2 4.15Å; F750-V810 HydrophobicContact CE2-CG1 4.37Å; F750-V810 HydrophobicContact CG-CB 3.92Å; F750-V810 HydrophobicContact CG-CG1 3.8Å; F750-V810 HydrophobicContact CZ-CG1 4.27Å; F750-V811 HydrophobicContact CB-CG2 3.86Å; F750-V811 VanDerWaalsContact N-CG2 3.33Å |
| 751 | K | 93.5 | Very high | 86.6 | Confident | 38.6667 Ų | 38.6667 | 59.8 Ų | 59.8 | 17% | 0.168 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 147.1 | 179.4 | -67.4 | -61.1 | -178.7 | -165.8 | 0 | 110.2 | C705 F706 I738 D739 L740 D808 | C705-K751 CarbonylContact C-O 3.54Å; C705-K751 WeakPolarHBondContact CA-O 3.24Å; C705-K751 WeakPolarHBondContact CB-O 3.36Å; F706-K751 HydrophobicContact CE2-CB 4.43Å; F706-K751 HydrophobicContact CZ-CB 4.38Å; F706-K751 PolarHBondContact N-O 3.02Å; F706-K751 PolarHBondContact O-N 3.12Å; F706-K751 VanDerWaalsContact O-N 3.1Å; I738-K751 HydrophobicContact CD1-CB 4.22Å; I738-K751 HydrophobicContact CD1-CD 4.32Å; I738-K751 HydrophobicContact CD1-CG 4.17Å; D739-K751 VanDerWaalsContact O-CE 3.29Å; D739-K751 WeakPolarHBondContact O-CE 3.23Å; L740-K751 HydrophobicContact CD2-CG 3.85Å; K751-D808 IonicContact NZ-OD1 2.84Å; K751-D808 PolarHBondContact NZ-OD1 3.33Å; K751-D808 IonicContact NZ-OD2 3.86Å; K751-D808 PolarHBondContact NZ-OD2 3.38Å |
| 752 | C | 94.4 | Very high | 87.5 | Confident | 30.3333 Ų | 30.3333 | 58 Ų | 58 | 21% | 0.205 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 132.3 | 172.7 | -72.9 | 0 | 0 | 0 | 0 | 109.4 | L704 C705 P802 P807 | L704-C752 CarbonylContact O-C 3.46Å; L704-C752 VanDerWaalsContact O-CA 3.3Å; L704-C752 WeakPolarHBondContact O-CA 3.25Å; C705-C752 HydrophobicContact CB-CB 4.13Å; C705-C752 WeakPolarHBondContact CB-SG 3.35Å; C705-C752 WeakPolarHBondContact SG-CB 3.34Å; C705-C752 CovalentContact SG-SG 2.04Å; C705-C752 PolarHBondContact SG-SG 2.96Å; C752-P802 HydrophobicContact CB-CB 4.2Å; C752-P807 HydrophobicContact CB-CB 4.42Å |
| 753 | I | 95 | Very high | 88.6 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 127.5 | -173.8 | -56.1 | 176.4 | 0 | 0 | 0 | 109.2 | Y703 L704 F706 V716 F718 Y736 I738 V755 L758 | Y703-I753 WeakPolarHBondContact CA-O 3.22Å; L704-I753 PolarHBondContact N-O 3.19Å; L704-I753 PolarHBondContact O-N 3.11Å; F706-I753 HydrophobicContact CE1-CD1 4.09Å; F706-I753 HydrophobicContact CZ-CD1 4.36Å; V716-I753 HydrophobicContact CB-CD1 4.49Å; V716-I753 HydrophobicContact CG2-CD1 4.24Å; F718-I753 HydrophobicContact CZ-CD1 4.2Å; F718-I753 HydrophobicContact CZ-CG2 4.31Å; Y736-I753 HydrophobicContact CD1-CD1 4.35Å; Y736-I753 HydrophobicContact CD1-CG2 4.37Å; Y736-I753 HydrophobicContact CE1-CD1 4.41Å; Y736-I753 HydrophobicContact CE1-CG2 4.2Å; I738-I753 HydrophobicContact CD1-CD1 3.88Å; I738-I753 HydrophobicContact CD1-CG1 3.96Å; I753-V755 HydrophobicContact CB-CG2 4.5Å; I753-V755 HydrophobicContact CG2-CG2 4.28Å; I753-V755 PolarHBondContact O-N 3.15Å; I753-V755 VanDerWaalsContact O-N 3.11Å; I753-L758 HydrophobicContact CG2-CD1 3.25Å; I753-L758 HydrophobicContact CG2-CD2 4.27Å; I753-L758 HydrophobicContact CG2-CG 4.31Å |
| 754 | N | 95.9 | Very high | 89.8 | Confident | 40.3333 Ų | 40.3333 | 53.3 Ų | 53.3 | 22% | 0.216 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 86.7 | 169.2 | -173.8 | -22.2 | 0 | 0 | 0 | 110 | P702 Y703 L756 Q757 L758 | P702-N754 CarbonylContact O-C 3.42Å; Y703-N754 HydrophobicContact CD1-CB 4.13Å; Y703-N754 HydrophobicContact CE1-CB 3.82Å; N754-L756 VanDerWaalsContact C-N 3.29Å; N754-L756 PolarHBondContact O-N 3.29Å; N754-L756 PolarHBondContact OD1-N 2.98Å; N754-Q757 HydrophobicContact CB-CB 4.19Å; N754-Q757 VanDerWaalsContact CG-CB 3.5Å; N754-Q757 PolarHBondContact ND2-OE1 2.96Å; N754-Q757 PolarHBondContact O-N 2.87Å; N754-Q757 PolarHBondContact OD1-N 3.21Å; N754-Q757 VanDerWaalsContact OD1-N 3.08Å; N754-L758 WeakPolarHBondContact O-CG 3.4Å; N754-L758 PolarHBondContact O-N 2.9Å |
| 755 | V | 96.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -34.5 | -175.8 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | V698 P702 L704 F718 I753 Q757 L758 L759 L773 | V698-V755 HydrophobicContact CG1-CB 3.86Å; V698-V755 HydrophobicContact CG1-CG1 3.94Å; P702-V755 PolarHBondContact O-N 2.97Å; L704-V755 HydrophobicContact CB-CG2 3.7Å; L704-V755 HydrophobicContact CD2-CG2 4.44Å; F718-V755 HydrophobicContact CD1-CG1 4.16Å; F718-V755 HydrophobicContact CD1-CG2 4.36Å; F718-V755 HydrophobicContact CE1-CG1 4.22Å; F718-V755 HydrophobicContact CE1-CG2 3.84Å; F718-V755 HydrophobicContact CZ-CG2 4.21Å; I753-V755 HydrophobicContact CB-CG2 4.5Å; I753-V755 HydrophobicContact CG2-CG2 4.28Å; I753-V755 PolarHBondContact O-N 3.15Å; I753-V755 VanDerWaalsContact O-N 3.11Å; V755-Q757 PolarHBondContact O-N 3.15Å; V755-L758 PolarHBondContact O-N 2.99Å; V755-L759 HydrophobicContact CG1-CD1 3.9Å; V755-L759 HydrophobicContact CG1-CG 4.03Å; V755-L759 WeakPolarHBondContact O-CB 3.38Å; V755-L759 VanDerWaalsContact O-CG 3.28Å; V755-L759 WeakPolarHBondContact O-CG 3.28Å; V755-L759 PolarHBondContact O-N 2.83Å; V755-L773 HydrophobicContact CG1-CD2 4.49Å |
| 756 | L | 95.2 | Very high | 90.9 | Very high | 21 Ų | 21 | 54 Ų | 54 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.3 | -44 | 178.3 | -177.4 | 61.7 | 0 | 0 | 0 | 112 | V698 P702 N754 L758 R760 F771 | V698-L756 HydrophobicContact CG1-CB 3.95Å; V698-L756 HydrophobicContact CG1-CD1 4.47Å; P702-L756 HydrophobicContact CB-CB 3.6Å; P702-L756 HydrophobicContact CB-CD2 4.3Å; N754-L756 VanDerWaalsContact C-N 3.29Å; N754-L756 PolarHBondContact O-N 3.29Å; N754-L756 PolarHBondContact OD1-N 2.98Å; L756-L758 VanDerWaalsContact C-N 3.32Å; L756-R760 WeakPolarHBondContact O-CD 3.5Å; L756-R760 VanDerWaalsContact O-CG 3.29Å; L756-R760 WeakPolarHBondContact O-CG 3.36Å; L756-R760 PolarHBondContact O-N 2.98Å; L756-R760 VanDerWaalsContact O-N 3.12Å; L756-F771 HydrophobicContact CD1-CB 4.49Å; L756-F771 HydrophobicContact CD1-CD2 3.76Å; L756-F771 HydrophobicContact CD1-CE2 4.37Å; L756-F771 HydrophobicContact CD1-CG 4.39Å |
| 757 | Q | 93.6 | Very high | 91.2 | Very high | 125.333 Ų | 125.333 | 52.7 Ų | 52.7 | 59% | 0.586 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -64.1 | -44.1 | 177.4 | -177.2 | 172.9 | -8.1 | 0 | 0 | 110.5 | N754 V755 R760 T761 | N754-Q757 HydrophobicContact CB-CB 4.19Å; N754-Q757 VanDerWaalsContact CG-CB 3.5Å; N754-Q757 PolarHBondContact ND2-OE1 2.96Å; N754-Q757 PolarHBondContact O-N 2.87Å; N754-Q757 PolarHBondContact OD1-N 3.21Å; N754-Q757 VanDerWaalsContact OD1-N 3.08Å; V755-Q757 PolarHBondContact O-N 3.15Å; Q757-R760 PolarHBondContact O-N 3.16Å; Q757-T761 WeakPolarHBondContact O-CG2 3.32Å; Q757-T761 PolarHBondContact O-N 3.07Å |
| 758 | L | 93.3 | Very high | 91.2 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.9 | -51.2 | 176.5 | -95.2 | 150.1 | 0 | 0 | 0 | 112.4 | F718 L734 Y736 I753 N754 V755 L756 R760 T761 | F718-L758 HydrophobicContact CD2-CD2 3.8Å; F718-L758 HydrophobicContact CE2-CD1 4.3Å; F718-L758 HydrophobicContact CE2-CD2 3.4Å; F718-L758 HydrophobicContact CZ-CD2 4.04Å; L734-L758 HydrophobicContact CD2-CB 4.49Å; L734-L758 HydrophobicContact CD2-CD1 3.96Å; L734-L758 HydrophobicContact CD2-CD2 4.42Å; L734-L758 HydrophobicContact CD2-CG 3.78Å; Y736-L758 HydrophobicContact CD1-CD1 3.59Å; Y736-L758 HydrophobicContact CD1-CD2 4.12Å; Y736-L758 HydrophobicContact CD2-CD1 3.67Å; Y736-L758 VanDerWaalsContact CD2-CD1 3.42Å; Y736-L758 HydrophobicContact CD2-CD2 3.78Å; Y736-L758 HydrophobicContact CD2-CG 4.34Å; Y736-L758 HydrophobicContact CE1-CD1 3.81Å; Y736-L758 HydrophobicContact CE1-CD2 4.44Å; Y736-L758 HydrophobicContact CE2-CD1 4.07Å; Y736-L758 HydrophobicContact CE2-CD2 3.35Å; Y736-L758 HydrophobicContact CE2-CG 4.36Å; Y736-L758 HydrophobicContact CG-CD1 3.65Å; Y736-L758 HydrophobicContact CG-CD2 4.08Å; Y736-L758 HydrophobicContact CG-CG 4.42Å; I753-L758 HydrophobicContact CG2-CD1 3.25Å; I753-L758 HydrophobicContact CG2-CD2 4.27Å; I753-L758 HydrophobicContact CG2-CG 4.31Å; N754-L758 WeakPolarHBondContact O-CG 3.4Å; N754-L758 PolarHBondContact O-N 2.9Å; V755-L758 PolarHBondContact O-N 2.99Å; L756-L758 VanDerWaalsContact C-N 3.32Å; L758-R760 PolarHBondContact O-N 2.79Å; L758-R760 VanDerWaalsContact O-N 3.13Å; L758-T761 PolarHBondContact O-N 3.2Å; L758-T761 PolarHBondContact O-OG1 3.14Å |
| 759 | L | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.6 | -30.7 | 179.9 | -68.2 | 177.4 | 0 | 0 | 0 | 112.2 | V698 Y720 L734 V755 T761 D762 N765 F771 | V698-L759 HydrophobicContact CG1-CD1 4.31Å; V698-L759 HydrophobicContact CG2-CD1 4.29Å; Y720-L759 HydrophobicContact CD1-CD2 3.53Å; Y720-L759 VanDerWaalsContact CD1-CD2 3.44Å; Y720-L759 HydrophobicContact CD2-CD1 4.17Å; Y720-L759 HydrophobicContact CD2-CD2 3.84Å; Y720-L759 HydrophobicContact CE1-CD2 3.58Å; Y720-L759 HydrophobicContact CE2-CD2 3.9Å; Y720-L759 HydrophobicContact CG-CD1 4.21Å; Y720-L759 HydrophobicContact CG-CD2 3.67Å; L734-L759 HydrophobicContact CB-CD2 4.4Å; L734-L759 HydrophobicContact CD2-CD2 3.83Å; V755-L759 HydrophobicContact CG1-CD1 3.9Å; V755-L759 HydrophobicContact CG1-CG 4.03Å; V755-L759 WeakPolarHBondContact O-CB 3.38Å; V755-L759 VanDerWaalsContact O-CG 3.28Å; V755-L759 WeakPolarHBondContact O-CG 3.28Å; V755-L759 PolarHBondContact O-N 2.83Å; L759-T761 VanDerWaalsContact C-N 3.29Å; L759-T761 PolarHBondContact O-N 2.83Å; L759-D762 WeakPolarHBondContact O-CB 3.39Å; L759-D762 PolarHBondContact O-N 3.18Å; L759-N765 WeakPolarHBondContact O-CB 3.33Å; L759-N765 PolarHBondContact O-ND2 3.03Å; L759-F771 HydrophobicContact CB-CD1 3.86Å; L759-F771 HydrophobicContact CB-CE1 3.98Å; L759-F771 HydrophobicContact CB-CG 4.39Å; L759-F771 HydrophobicContact CD1-CB 3.98Å; L759-F771 HydrophobicContact CD1-CD1 3.85Å; L759-F771 HydrophobicContact CD1-CG 4.16Å; L759-F771 HydrophobicContact CG-CD1 4.45Å |
| 760 | R | 91.7 | Very high | 91.2 | Very high | 160 Ų | 160 | 57.3 Ų | 57.3 | 60% | 0.604 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -73 | -19.8 | 175.1 | -75.8 | 174.9 | 171 | 178.2 | -2.2 | 114.3 | L756 Q757 L758 D762 F771 | L756-R760 WeakPolarHBondContact O-CD 3.5Å; L756-R760 VanDerWaalsContact O-CG 3.29Å; L756-R760 WeakPolarHBondContact O-CG 3.36Å; L756-R760 PolarHBondContact O-N 2.98Å; L756-R760 VanDerWaalsContact O-N 3.12Å; Q757-R760 PolarHBondContact O-N 3.16Å; L758-R760 PolarHBondContact O-N 2.79Å; L758-R760 VanDerWaalsContact O-N 3.13Å; R760-D762 VanDerWaalsContact C-N 3.3Å; R760-F771 HydrophobicContact CG-CE2 4.24Å; R760-F771 HydrophobicContact CG-CZ 4.38Å |
| 761 | T | 89.2 | Confident | 91.3 | Very high | 102.667 Ų | 102.667 | 57.3 Ų | 57.3 | 63% | 0.63 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -77.8 | -16.5 | 175.3 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | Q757 L758 L759 P763 | Q757-T761 WeakPolarHBondContact O-CG2 3.32Å; Q757-T761 PolarHBondContact O-N 3.07Å; L758-T761 PolarHBondContact O-N 3.2Å; L758-T761 PolarHBondContact O-OG1 3.14Å; L759-T761 VanDerWaalsContact C-N 3.29Å; L759-T761 PolarHBondContact O-N 2.83Å; T761-P763 WeakPolarHBondContact O-CD 3.32Å |
| 762 | D | 88.3 | Confident | 91.4 | Very high | 12 Ų | 12 | 58 Ų | 58 | 6% | 0.064 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -74.1 | 119.3 | 177.7 | -172.9 | -28.4 | 0 | 0 | 0 | 111.1 | Y720 L734 L759 R760 R764 N765 | Y720-D762 PolarHBondContact OH-OD2 3.1Å; L734-D762 HydrophobicContact CD1-CB 4.44Å; L734-D762 HydrophobicContact CD2-CB 4.46Å; L759-D762 WeakPolarHBondContact O-CB 3.39Å; L759-D762 PolarHBondContact O-N 3.18Å; R760-D762 VanDerWaalsContact C-N 3.3Å; D762-R764 PolarHBondContact O-N 3.05Å; D762-R764 VanDerWaalsContact O-N 3.08Å; D762-R764 VanDerWaalsContact OD1-CB 3.25Å; D762-R764 WeakPolarHBondContact OD1-CB 3.18Å; D762-R764 VanDerWaalsContact OD1-CG 3.29Å; D762-R764 WeakPolarHBondContact OD1-CG 3.33Å; D762-R764 IonicContact OD1-CZ 3.39Å; D762-R764 PolarHBondContact OD1-N 2.7Å; D762-R764 IonicContact OD1-NE 3.25Å; D762-R764 PolarHBondContact OD1-NE 2.99Å; D762-R764 IonicContact OD2-CZ 2.96Å; D762-R764 IonicContact OD2-NE 3.32Å; D762-R764 PolarHBondContact OD2-NE 3.26Å; D762-R764 IonicContact OD2-NH2 3.17Å; D762-R764 PolarHBondContact OD2-NH2 2.8Å; D762-N765 HydrophobicContact CB-CB 4.47Å; D762-N765 WeakPolarHBondContact O-CB 3.4Å; D762-N765 PolarHBondContact O-N 3.08Å |
| 763 | P | 86.8 | Confident | 91.5 | Very high | 108.667 Ų | 108.667 | 56.6 Ų | 56.6 | 71% | 0.706 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -57.5 | -26.2 | -179 | -24.8 | 34.3 | 0 | 0 | 0 | 114.2 | T761 N765 I766 | T761-P763 WeakPolarHBondContact O-CD 3.32Å; P763-N765 PolarHBondContact O-N 3.04Å; P763-I766 PolarHBondContact O-N 2.9Å |
| 764 | R | 86.4 | Confident | 91.6 | Very high | 117.333 Ų | 117.333 | 58.1 Ų | 58.1 | 44% | 0.443 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -63.2 | -27.3 | 177.2 | -61 | 175.6 | -71.1 | -179.2 | -0.4 | 111.8 | L729 T733 D762 | L729-R764 HydrophobicContact CD1-CB 4.21Å; L729-R764 VanDerWaalsContact CD1-O 3.24Å; L729-R764 WeakPolarHBondContact CD1-O 3.36Å; T733-R764 PolarHBondContact O-NH1 3.07Å; T733-R764 PolarHBondContact O-NH2 3.03Å; D762-R764 PolarHBondContact O-N 3.05Å; D762-R764 VanDerWaalsContact O-N 3.08Å; D762-R764 VanDerWaalsContact OD1-CB 3.25Å; D762-R764 WeakPolarHBondContact OD1-CB 3.18Å; D762-R764 VanDerWaalsContact OD1-CG 3.29Å; D762-R764 WeakPolarHBondContact OD1-CG 3.33Å; D762-R764 IonicContact OD1-CZ 3.39Å; D762-R764 PolarHBondContact OD1-N 2.7Å; D762-R764 IonicContact OD1-NE 3.25Å; D762-R764 PolarHBondContact OD1-NE 2.99Å; D762-R764 IonicContact OD2-CZ 2.96Å; D762-R764 IonicContact OD2-NE 3.32Å; D762-R764 PolarHBondContact OD2-NE 3.26Å; D762-R764 IonicContact OD2-NH2 3.17Å; D762-R764 PolarHBondContact OD2-NH2 2.8Å |
| 765 | N | 88.2 | Confident | 91.6 | Very high | 4.66667 Ų | 4.66667 | 56.5 Ų | 56.5 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -93.4 | 8.6 | -173.1 | -62.9 | -24 | 0 | 0 | 0 | 113.4 | Y720 A722 L759 D762 P763 N767 A768 F771 | Y720-N765 WeakPolarHBondContact CE2-ND2 3.33Å; Y720-N765 WeakPolarHBondContact CE2-OD1 3.31Å; Y720-N765 PolarHBondContact OH-ND2 3.11Å; Y720-N765 PolarHBondContact OH-OD1 3.01Å; Y720-N765 VanDerWaalsContact OH-OD1 3.08Å; A722-N765 WeakPolarHBondContact CB-OD1 3.29Å; L759-N765 WeakPolarHBondContact O-CB 3.33Å; L759-N765 PolarHBondContact O-ND2 3.03Å; D762-N765 HydrophobicContact CB-CB 4.47Å; D762-N765 WeakPolarHBondContact O-CB 3.4Å; D762-N765 PolarHBondContact O-N 3.08Å; P763-N765 PolarHBondContact O-N 3.04Å; N765-N767 PolarHBondContact O-N 2.84Å; N765-N767 VanDerWaalsContact O-N 3.08Å; N765-A768 HydrophobicContact CB-CB 4.4Å; N765-A768 WeakPolarHBondContact O-CB 3.3Å; N765-A768 PolarHBondContact O-N 3.09Å; N765-F771 HydrophobicContact CB-CE1 3.76Å; N765-F771 HydrophobicContact CB-CZ 4Å |
| 766 | I | 84.6 | Confident | 91.6 | Very high | 140.333 Ų | 140.333 | 56.6 Ų | 56.6 | 72% | 0.72 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -32.4 | -172.3 | -161.2 | 165.2 | 0 | 0 | 0 | 114.3 | P763 | P763-I766 PolarHBondContact O-N 2.9Š|
| 767 | N | 85.7 | Confident | 91.6 | Very high | 97.6667 Ų | 97.6667 | 56.4 Ų | 56.4 | 52% | 0.522 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 0.2 | 179.5 | -69.2 | -29.7 | 0 | 0 | 0 | 113.4 | G724 S727 N765 | G724-N767 VanDerWaalsContact CA-O 3.29Å; G724-N767 WeakPolarHBondContact CA-O 3.31Å; S727-N767 WeakPolarHBondContact OG-CB 3.36Å; N765-N767 PolarHBondContact O-N 2.84Å; N765-N767 VanDerWaalsContact O-N 3.08Å |
| 768 | A | 88.3 | Confident | 91.6 | Very high | 12.6667 Ų | 12.6667 | 50.6 Ų | 50.6 | 11% | 0.105 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 136 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A722 N765 F771 | A722-A768 HydrophobicContact CB-CB 3.66Å; N765-A768 HydrophobicContact CB-CB 4.4Å; N765-A768 WeakPolarHBondContact O-CB 3.3Å; N765-A768 PolarHBondContact O-N 3.09Å; A768-F771 HydrophobicContact CB-CE1 4.04Å; A768-F771 HydrophobicContact CB-CE2 4.41Å; A768-F771 HydrophobicContact CB-CZ 3.82Å |
| 769 | T | 89.2 | Confident | 91.4 | Very high | 81.3333 Ų | 81.3333 | 50.5 Ų | 50.5 | 50% | 0.499 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | -29.8 | -179.8 | 52.7 | 0 | 0 | 0 | 0 | 112.3 | N699 I723 | N699-T769 PolarHBondContact ND2-O 2.91Å; I723-T769 PolarHBondContact O-N 3.04Å; I723-T769 PolarHBondContact O-OG1 2.94Å |
| 770 | I | 92.1 | Very high | 90.9 | Very high | 79.6667 Ų | 79.6667 | 51.6 Ų | 51.6 | 41% | 0.409 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.7 | 180 | -60.2 | 168.9 | 0 | 0 | 0 | 108.9 | N699 I723 Q772 | N699-I770 WeakPolarHBondContact OD1-CA 3.38Å; I723-I770 HydrophobicContact CB-CB 4.25Å; I723-I770 PolarHBondContact N-O 3.07Å; I723-I770 PolarHBondContact O-N 2.98Å; I770-Q772 HydrophobicContact CG2-CG 4.37Å |
| 771 | F | 95.8 | Very high | 90.4 | Very high | 0.666667 Ų | 0.666667 | 48.3 Ų | 48.3 | 0% | 0.003 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 128.6 | 179 | -64.2 | -85.8 | 0 | 0 | 0 | 109.4 | V698 N699 Y720 N721 A722 L756 L759 R760 N765 A768 | V698-F771 HydrophobicContact CB-CB 3.96Å; V698-F771 HydrophobicContact CG2-CB 4.23Å; V698-F771 PolarHBondContact N-O 2.88Å; N699-F771 PolarHBondContact OD1-N 3.04Å; N699-F771 PolarHBondContact OD1-O 3.15Å; Y720-F771 HydrophobicContact CD2-CD1 4.36Å; Y720-F771 HydrophobicContact CE2-CD1 4.36Å; N721-F771 WeakPolarHBondContact O-CA 3.14Å; A722-F771 HydrophobicContact CB-CD1 3.98Å; A722-F771 HydrophobicContact CB-CE1 3.83Å; L756-F771 HydrophobicContact CD1-CB 4.49Å; L756-F771 HydrophobicContact CD1-CD2 3.76Å; L756-F771 HydrophobicContact CD1-CE2 4.37Å; L756-F771 HydrophobicContact CD1-CG 4.39Å; L759-F771 HydrophobicContact CB-CD1 3.86Å; L759-F771 HydrophobicContact CB-CE1 3.98Å; L759-F771 HydrophobicContact CB-CG 4.39Å; L759-F771 HydrophobicContact CD1-CB 3.98Å; L759-F771 HydrophobicContact CD1-CD1 3.85Å; L759-F771 HydrophobicContact CD1-CG 4.16Å; L759-F771 HydrophobicContact CG-CD1 4.45Å; R760-F771 HydrophobicContact CG-CE2 4.24Å; R760-F771 HydrophobicContact CG-CZ 4.38Å; N765-F771 HydrophobicContact CB-CE1 3.76Å; N765-F771 HydrophobicContact CB-CZ 4Å; A768-F771 HydrophobicContact CB-CE1 4.04Å; A768-F771 HydrophobicContact CB-CE2 4.41Å; A768-F771 HydrophobicContact CB-CZ 3.82Å |
| 772 | Q | 95.8 | Very high | 89.3 | Confident | 55.3333 Ų | 55.3333 | 48.3 Ų | 48.3 | 26% | 0.259 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 123.2 | 177.6 | -64.8 | 176.1 | -40.7 | 0 | 0 | 109.4 | L695 I696 Y720 N721 I770 | L695-Q772 HydrophobicContact CB-CB 4.32Å; L695-Q772 HydrophobicContact CD2-CB 4.47Å; I696-Q772 CarbonylContact O-C 3.5Å; I696-Q772 VanDerWaalsContact O-CA 3.25Å; I696-Q772 WeakPolarHBondContact O-CA 3.38Å; Y720-Q772 CarbonylContact C-O 3.52Å; Y720-Q772 VanDerWaalsContact CA-O 3.26Å; Y720-Q772 WeakPolarHBondContact CA-O 3.31Å; Y720-Q772 WeakPolarHBondContact CB-O 3.41Å; N721-Q772 HydrophobicContact CB-CB 4.31Å; N721-Q772 PolarHBondContact N-O 2.85Å; N721-Q772 PolarHBondContact O-N 2.84Å; I770-Q772 HydrophobicContact CG2-CG 4.37Å |
| 773 | L | 96.7 | Very high | 88 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 130.7 | 177.8 | -167.5 | 66 | 0 | 0 | 0 | 109.8 | F692 I696 V698 F718 L719 V755 S775 M798 | F692-L773 HydrophobicContact CD2-CD2 4.41Å; F692-L773 HydrophobicContact CD2-CG 4.28Å; F692-L773 HydrophobicContact CE2-CB 4.46Å; F692-L773 HydrophobicContact CE2-CD2 3.49Å; F692-L773 VanDerWaalsContact CE2-CD2 3.48Å; F692-L773 HydrophobicContact CE2-CG 3.79Å; F692-L773 HydrophobicContact CZ-CD2 4.07Å; I696-L773 PolarHBondContact N-O 2.9Å; I696-L773 PolarHBondContact O-N 2.76Å; V698-L773 HydrophobicContact CG2-CB 3.66Å; F718-L773 HydrophobicContact CB-CD1 3.9Å; F718-L773 HydrophobicContact CD1-CD1 3.91Å; F718-L773 HydrophobicContact CD1-CD2 4.26Å; F718-L773 HydrophobicContact CG-CD1 4.37Å; L719-L773 WeakPolarHBondContact O-CD1 3.33Å; V755-L773 HydrophobicContact CG1-CD2 4.49Å; L773-S775 WeakPolarHBondContact CD1-O 3.45Å; L773-M798 HydrophobicContact CB-CE 4.29Å; L773-M798 HydrophobicContact CD2-CE 3.79Å; L773-M798 HydrophobicContact CD2-SD 3.87Å |
| 774 | E | 96.3 | Very high | 86.6 | Confident | 38 Ų | 38 | 51 Ų | 51 | 18% | 0.178 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -42.4 | 179 | -174.6 | 172.3 | 170.7 | 0 | 0 | 111.1 | Q691 F692 L695 L719 K731 | Q691-E774 VanDerWaalsContact NE2-CG 3.31Å; Q691-E774 PolarHBondContact NE2-O 2.93Å; F692-E774 WeakPolarHBondContact CD2-O 3.19Å; F692-E774 PolarHBondContact N-O 2.7Å; F692-E774 VanDerWaalsContact N-O 3.12Å; L695-E774 HydrophobicContact CD2-CB 3.66Å; L695-E774 HydrophobicContact CD2-CG 4Å; L719-E774 HydrophobicContact CD2-CB 4.24Å; L719-E774 HydrophobicContact CD2-CG 4.13Å; L719-E774 HydrophobicContact CG-CB 4.22Å; L719-E774 WeakPolarHBondContact O-CB 3.35Å; L719-E774 PolarHBondContact O-N 3.24Å; K731-E774 IonicContact NZ-OE1 3.57Å; K731-E774 PolarHBondContact NZ-OE1 2.98Å; K731-E774 IonicContact NZ-OE2 2.89Å; K731-E774 PolarHBondContact NZ-OE2 3.03Å |
| 775 | S | 96.4 | Very high | 85.1 | Confident | 7 Ų | 7 | 48 Ų | 48 | 5% | 0.049 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 163 | 173.5 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | Y690 Q691 L719 L773 | Y690-S775 VanDerWaalsContact O-CA 3.3Å; Y690-S775 WeakPolarHBondContact O-CA 3.28Å; Y690-S775 WeakPolarHBondContact O-CB 3.29Å; Q691-S775 VanDerWaalsContact OE1-CB 3.27Å; Q691-S775 PolarHBondContact OE1-OG 2.94Å; L719-S775 WeakPolarHBondContact CB-OG 3.22Å; L719-S775 PolarHBondContact N-O 3.15Å; L719-S775 PolarHBondContact O-N 3.11Å; L773-S775 WeakPolarHBondContact CD1-O 3.45Å |
| 776 | F | 97 | Very high | 83.7 | Confident | 1.66667 Ų | 1.66667 | 49.1 Ų | 49.1 | 1% | 0.007 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 150.5 | 160.3 | 72.4 | -83.5 | 0 | 0 | 0 | 109.4 | T689 Y690 F692 L704 F706 V716 N717 F718 I778 L793 V796 | T689-F776 CarbonylContact C-O 3.6Å; T689-F776 WeakPolarHBondContact CA-O 3.45Å; Y690-F776 VanDerWaalsContact CB-CE1 3.49Å; Y690-F776 HydrophobicContact CD1-CD1 4.23Å; Y690-F776 AromaticContact CD1-CE1 3.59Å; Y690-F776 HydrophobicContact CD1-CE1 3.59Å; Y690-F776 HydrophobicContact CD1-CZ 4.35Å; Y690-F776 HydrophobicContact CE1-CE1 4.49Å; Y690-F776 AromaticContact CG-CE1 3.74Å; Y690-F776 HydrophobicContact CG-CE1 3.74Å; Y690-F776 HydrophobicContact CG-CZ 4.06Å; Y690-F776 PolarHBondContact N-O 3.23Å; Y690-F776 PolarHBondContact O-N 3.12Å; F692-F776 HydrophobicContact CE1-CE1 4.43Å; F692-F776 AromaticContact CE2-CD1 3.93Å; F692-F776 HydrophobicContact CE2-CD1 3.93Å; F692-F776 HydrophobicContact CE2-CE1 4.46Å; F692-F776 AromaticContact CZ-CD1 3.71Å; F692-F776 HydrophobicContact CZ-CD1 3.71Å; F692-F776 AromaticContact CZ-CE1 3.9Å; F692-F776 HydrophobicContact CZ-CE1 3.94Å; L704-F776 HydrophobicContact CD1-CD1 4.04Å; L704-F776 HydrophobicContact CD1-CE1 3.78Å; L704-F776 HydrophobicContact CD1-CZ 4.34Å; L704-F776 HydrophobicContact CD2-CB 4.15Å; L704-F776 HydrophobicContact CD2-CD1 3.77Å; L704-F776 HydrophobicContact CD2-CD2 4.13Å; L704-F776 HydrophobicContact CD2-CE1 4.16Å; L704-F776 HydrophobicContact CD2-CE2 4.28Å; L704-F776 HydrophobicContact CD2-CG 3.75Å; L704-F776 HydrophobicContact CD2-CZ 4.34Å; L704-F776 HydrophobicContact CG-CE1 4.47Å; F706-F776 AromaticContact CD1-CE2 3.87Å; F706-F776 HydrophobicContact CD1-CE2 4.09Å; F706-F776 HydrophobicContact CD1-CZ 4.34Å; F706-F776 HydrophobicContact CE1-CE2 4.39Å; F706-F776 HydrophobicContact CG-CE2 4.42Å; V716-F776 HydrophobicContact CG1-CB 4.33Å; V716-F776 HydrophobicContact CG1-CD2 4.32Å; N717-F776 CarbonylContact O-C 3.53Å; N717-F776 VanDerWaalsContact O-CA 3.26Å; N717-F776 WeakPolarHBondContact O-CA 3.37Å; F718-F776 HydrophobicContact CD1-CB 3.89Å; F718-F776 HydrophobicContact CE1-CB 4.04Å; F776-I778 HydrophobicContact CD2-CD1 4.23Å; F776-I778 HydrophobicContact CD2-CG1 3.98Å; F776-I778 HydrophobicContact CE2-CD1 3.78Å; F776-I778 HydrophobicContact CE2-CG1 4Å; F776-L793 HydrophobicContact CZ-CD2 4.3Å; F776-V796 HydrophobicContact CE1-CG1 3.76Å; F776-V796 HydrophobicContact CZ-CG1 3.94Å; F776-V796 HydrophobicContact CZ-CG2 4.17Å |
| 777 | A | 95.3 | Very high | 82.2 | Confident | 17.6667 Ų | 17.6667 | 46.1 Ų | 46.1 | 15% | 0.146 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F688 T689 V716 N717 P779 | F688-A777 CarbonylContact O-C 3.43Å; F688-A777 WeakPolarHBondContact O-CA 3.41Å; F688-A777 VanDerWaalsContact O-CB 3.28Å; F688-A777 WeakPolarHBondContact O-CB 3.26Å; T689-A777 HydrophobicContact CG2-CB 4.22Å; T689-A777 WeakPolarHBondContact OG1-CB 3.46Å; V716-A777 WeakPolarHBondContact CA-O 3.39Å; N717-A777 HydrophobicContact CB-CB 4.23Å; N717-A777 PolarHBondContact N-O 3.04Å; N717-A777 PolarHBondContact O-N 3.01Å; A777-P779 WeakPolarHBondContact O-CD 3.12Å |
| 778 | I | 92.5 | Very high | 80.9 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | trans | -112.7 | 103.5 | 176.7 | -54 | 178.7 | 0 | 0 | 0 | 106.6 | F688 F706 I708 T712 V716 L740 F776 L791 L793 | F688-I778 PolarHBondContact O-N 3.22Å; F706-I778 HydrophobicContact CD1-CD1 4.39Å; F706-I778 HydrophobicContact CD2-CD1 3.75Å; F706-I778 HydrophobicContact CE1-CD1 4.25Å; F706-I778 HydrophobicContact CE2-CD1 3.36Å; F706-I778 HydrophobicContact CG-CD1 4.35Å; F706-I778 HydrophobicContact CZ-CD1 3.64Å; F706-I778 HydrophobicContact CZ-CG1 4.49Å; I708-I778 HydrophobicContact CD1-CB 4.13Å; I708-I778 HydrophobicContact CD1-CD1 3.35Å; I708-I778 HydrophobicContact CD1-CG1 4.31Å; I708-I778 HydrophobicContact CD1-CG2 3.67Å; T712-I778 HydrophobicContact CG2-CG2 3.7Å; V716-I778 HydrophobicContact CG1-CG1 4.37Å; V716-I778 HydrophobicContact CG2-CG1 4.3Å; L740-I778 HydrophobicContact CD1-CG2 3.84Å; F776-I778 HydrophobicContact CD2-CD1 4.23Å; F776-I778 HydrophobicContact CD2-CG1 3.98Å; F776-I778 HydrophobicContact CE2-CD1 3.78Å; F776-I778 HydrophobicContact CE2-CG1 4Å; I778-L791 HydrophobicContact CB-CD2 4.39Å; I778-L791 HydrophobicContact CG2-CD2 4.46Å; I778-L793 HydrophobicContact CD1-CD1 4.24Å | ||
| 779 | P | 88.6 | Confident | 80 | Confident | 18.3333 Ų | 18.3333 | 47.6 Ų | 47.6 | 12% | 0.119 | 23% | 0.227 | C | C | . | . | trans | -63.6 | 131.9 | -178.3 | -23.7 | 37 | 0 | 0 | 0 | 110.5 | T712 E713 S715 N717 A777 | T712-P779 WeakPolarHBondContact CA-O 3.32Å; E713-P779 HydrophobicContact CB-CB 4.18Å; E713-P779 VanDerWaalsContact CD-CB 3.42Å; E713-P779 HydrophobicContact CG-CB 3.98Å; E713-P779 PolarHBondContact N-O 3.01Å; E713-P779 WeakPolarHBondContact OE2-CB 3.34Å; S715-P779 VanDerWaalsContact O-CD 3.26Å; S715-P779 WeakPolarHBondContact O-CD 3.27Å; S715-P779 WeakPolarHBondContact OG-CD 3.27Å; S715-P779 WeakPolarHBondContact OG-CG 3.41Å; N717-P779 VanDerWaalsContact ND2-CG 3.3Å; N717-P779 WeakPolarHBondContact ND2-CG 3.32Å; A777-P779 WeakPolarHBondContact O-CD 3.12Å | ||
| 780 | P | 84.8 | Confident | 79.6 | Confident | 23.6667 Ų | 23.6667 | 46.3 Ų | 46.3 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | B | Isolated β-bridge | trans | -70.4 | 137.8 | 172.3 | 31.1 | -35.2 | 0 | 0 | 0 | 109.7 | F688 K711 K782 Y789 | F688-P780 HydrophobicContact CD1-CB 4.36Å; F688-P780 HydrophobicContact CD1-CG 4.06Å; F688-P780 HydrophobicContact CE1-CB 4.24Å; F688-P780 HydrophobicContact CE1-CG 4.24Å; F688-P780 HydrophobicContact CG-CG 4.48Å; K711-P780 VanDerWaalsContact O-CA 3.27Å; K711-P780 WeakPolarHBondContact O-CA 3.31Å; P780-K782 PolarHBondContact O-N 3.09Å; P780-K782 VanDerWaalsContact O-N 3.11Å; P780-Y789 HydrophobicContact CB-CD1 3.68Å; P780-Y789 HydrophobicContact CB-CD2 3.38Å; P780-Y789 HydrophobicContact CB-CE1 3.82Å; P780-Y789 HydrophobicContact CB-CE2 3.57Å; P780-Y789 VanDerWaalsContact CB-CE2 3.44Å; P780-Y789 HydrophobicContact CB-CG 3.85Å; P780-Y789 HydrophobicContact CG-CD1 3.92Å; P780-Y789 HydrophobicContact CG-CD2 3.91Å; P780-Y789 HydrophobicContact CG-CE1 3.5Å; P780-Y789 HydrophobicContact CG-CE2 3.53Å; P780-Y789 HydrophobicContact CG-CG 4.23Å |
| 781 | R | 79.2 | Confident | 79.5 | Confident | 90.6667 Ų | 90.6667 | 42.6 Ų | 42.6 | 34% | 0.342 | 20% | 0.203 | S | C | . | . | trans | -75.4 | 107.2 | 169.5 | 177.7 | 176 | 77.1 | 164.7 | 1.2 | 108.3 | K711 T712 E713 E745 | K711-R781 HydrophobicContact CB-CB 4.48Å; K711-R781 PolarHBondContact O-N 3.04Å; K711-R781 VanDerWaalsContact O-N 3.1Å; T712-R781 VanDerWaalsContact C-CB 3.4Å; T712-R781 VanDerWaalsContact O-CB 3.23Å; T712-R781 WeakPolarHBondContact O-CB 3.34Å; E713-R781 HydrophobicContact CG-CB 4.24Å; E745-R781 IonicContact OE1-CZ 3.74Å; E745-R781 IonicContact OE1-NH2 3.07Å; E745-R781 PolarHBondContact OE1-NH2 2.95Å | ||
| 782 | K | 66.5 | Low | 79.3 | Confident | 102.333 Ų | 102.333 | 43.7 Ų | 43.7 | 45% | 0.445 | 21% | 0.207 | S | C | . | . | trans | -115.8 | 108.2 | 175.1 | -170.2 | 179.2 | -166.5 | 171.9 | 0 | 109.3 | P780 F784 E786 L787 Y789 | P780-K782 PolarHBondContact O-N 3.09Å; P780-K782 VanDerWaalsContact O-N 3.11Å; K782-F784 PolarHBondContact O-N 2.89Å; K782-E786 WeakPolarHBondContact CE-O 3.35Å; K782-E786 WeakPolarHBondContact CG-O 3.41Å; K782-L787 VanDerWaalsContact CE-O 3.31Å; K782-L787 WeakPolarHBondContact CE-O 3.37Å; K782-L787 PolarHBondContact NZ-O 2.87Å; K782-Y789 HydrophobicContact CB-CD1 4.14Å; K782-Y789 HydrophobicContact CB-CE1 4.16Å; K782-Y789 HydrophobicContact CD-CD1 4.08Å; K782-Y789 HydrophobicContact CD-CE1 4.11Å; K782-Y789 HydrophobicContact CG-CD1 4.16Å; K782-Y789 HydrophobicContact CG-CE1 4.21Å | ||
| 783 | K | 62.6 | Low | 79.2 | Confident | 57.3333 Ų | 57.3333 | 41.2 Ų | 41.2 | 25% | 0.249 | 20% | 0.196 | C | C | . | . | trans | -65.9 | 143.3 | 161.3 | -58.7 | -174.9 | -172.8 | 176.7 | 0 | 107.5 | Y785 E786 E1457 | K783-Y785 HydrophobicContact CB-CD1 4.14Å; K783-Y785 HydrophobicContact CB-CD2 4.16Å; K783-Y785 HydrophobicContact CB-CE1 3.86Å; K783-Y785 HydrophobicContact CB-CE2 4.19Å; K783-Y785 HydrophobicContact CB-CG 4.42Å; K783-Y785 HydrophobicContact CD-CE1 3.82Å; K783-Y785 HydrophobicContact CD-CE2 4.03Å; K783-Y785 VanDerWaalsContact CD-CZ 3.45Å; K783-Y785 WeakPolarHBondContact CD-OH 3.31Å; K783-Y785 HydrophobicContact CG-CE1 4.42Å; K783-Y785 HydrophobicContact CG-CE2 4.46Å; K783-Y785 PolarHBondContact NZ-OH 3.19Å; K783-Y785 VanDerWaalsContact NZ-OH 3.13Å; K783-Y785 PolarHBondContact O-N 2.96Å; K783-E786 HydrophobicContact CB-CB 4.24Å; K783-E786 HydrophobicContact CB-CG 4.02Å; K783-E786 WeakPolarHBondContact CB-OE2 3.43Å; K783-E786 HydrophobicContact CD-CG 4.49Å; K783-E786 VanDerWaalsContact CD-OE1 3.28Å; K783-E786 WeakPolarHBondContact CD-OE1 3.46Å; K783-E786 WeakPolarHBondContact CE-OE1 3.24Å; K783-E786 HydrophobicContact CG-CG 4.45Å; K783-E786 WeakPolarHBondContact CG-OE2 3.46Å; K783-E786 PolarHBondContact N-OE2 2.76Å; K783-E786 IonicContact NZ-OE1 3.94Å; K783-E786 PolarHBondContact NZ-OE1 3.24Å; K783-E786 VanDerWaalsContact NZ-OE1 3.13Å; K783-E786 WeakPolarHBondContact O-CB 3.35Å; K783-E786 PolarHBondContact O-N 2.96Å; K783-E1457 WeakPolarHBondContact CD-OE2 3.32Å; K783-E1457 WeakPolarHBondContact CE-OE2 3.14Å; K783-E1457 IonicContact NZ-OE1 2.73Å; K783-E1457 PolarHBondContact NZ-OE1 3.39Å; K783-E1457 IonicContact NZ-OE2 3.05Å; K783-E1457 PolarHBondContact NZ-OE2 2.81Å | ||
| 784 | F | 57.4 | Low | 79.1 | Confident | 121 Ų | 121 | 41.2 Ų | 41.2 | 53% | 0.531 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -19 | -172.6 | 73 | -84 | 0 | 0 | 0 | 114.7 | K782 E1457 E1458 F1459 L1460 | K782-F784 PolarHBondContact O-N 2.89Å; F784-E1457 WeakPolarHBondContact CE1-O 3.25Å; F784-E1458 WeakPolarHBondContact CD1-O 3.35Å; F784-E1458 WeakPolarHBondContact CE1-O 3.44Å; F784-E1458 WeakPolarHBondContact CG-O 3.15Å; F784-F1459 VanDerWaalsContact CZ-N 3.31Å; F784-L1460 HydrophobicContact CE2-CB 3.63Å; F784-L1460 HydrophobicContact CZ-CB 3.44Å; F784-L1460 VanDerWaalsContact CZ-CB 3.44Å |
| 785 | Y | 53.4 | Low | 79 | Confident | 54.6667 Ų | 54.6667 | 39.4 Ų | 39.4 | 21% | 0.214 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -14 | 176.9 | 58.8 | -105.2 | 0 | 0 | 0 | 115.1 | K783 L787 R923 L1423 E1457 | K783-Y785 HydrophobicContact CB-CD1 4.14Å; K783-Y785 HydrophobicContact CB-CD2 4.16Å; K783-Y785 HydrophobicContact CB-CE1 3.86Å; K783-Y785 HydrophobicContact CB-CE2 4.19Å; K783-Y785 HydrophobicContact CB-CG 4.42Å; K783-Y785 HydrophobicContact CD-CE1 3.82Å; K783-Y785 HydrophobicContact CD-CE2 4.03Å; K783-Y785 VanDerWaalsContact CD-CZ 3.45Å; K783-Y785 WeakPolarHBondContact CD-OH 3.31Å; K783-Y785 HydrophobicContact CG-CE1 4.42Å; K783-Y785 HydrophobicContact CG-CE2 4.46Å; K783-Y785 PolarHBondContact NZ-OH 3.19Å; K783-Y785 VanDerWaalsContact NZ-OH 3.13Å; K783-Y785 PolarHBondContact O-N 2.96Å; Y785-L787 PolarHBondContact O-N 2.95Å; Y785-R923 PolarHBondContact O-NH1 2.93Å; Y785-L1423 HydrophobicContact CD2-CB 3.94Å; Y785-L1423 HydrophobicContact CD2-CD1 3.68Å; Y785-L1423 HydrophobicContact CD2-CG 4.13Å; Y785-L1423 HydrophobicContact CE2-CB 3.78Å; Y785-L1423 HydrophobicContact CE2-CD1 4.39Å; Y785-L1423 HydrophobicContact CE2-CG 4.41Å; Y785-L1423 HydrophobicContact CG-CD1 3.98Å; Y785-E1457 HydrophobicContact CE1-CB 4.49Å; Y785-E1457 HydrophobicContact CE1-CG 4.33Å |
| 786 | E | 58.5 | Low | 79 | Confident | 27.3333 Ų | 27.3333 | 39.1 Ų | 39.1 | 13% | 0.128 | 19% | 0.185 | C | C | . | . | trans | -80.4 | 117.5 | 176.1 | -68.1 | 175.2 | 154.5 | 0 | 0 | 108.1 | K711 K782 K783 | K711-E786 IonicContact NZ-OE1 3.46Å; K711-E786 PolarHBondContact NZ-OE1 2.85Å; K711-E786 IonicContact NZ-OE2 2.71Å; K711-E786 PolarHBondContact NZ-OE2 3.14Å; K782-E786 WeakPolarHBondContact CE-O 3.35Å; K782-E786 WeakPolarHBondContact CG-O 3.41Å; K783-E786 HydrophobicContact CB-CB 4.24Å; K783-E786 HydrophobicContact CB-CG 4.02Å; K783-E786 WeakPolarHBondContact CB-OE2 3.43Å; K783-E786 HydrophobicContact CD-CG 4.49Å; K783-E786 VanDerWaalsContact CD-OE1 3.28Å; K783-E786 WeakPolarHBondContact CD-OE1 3.46Å; K783-E786 WeakPolarHBondContact CE-OE1 3.24Å; K783-E786 HydrophobicContact CG-CG 4.45Å; K783-E786 WeakPolarHBondContact CG-OE2 3.46Å; K783-E786 PolarHBondContact N-OE2 2.76Å; K783-E786 IonicContact NZ-OE1 3.94Å; K783-E786 PolarHBondContact NZ-OE1 3.24Å; K783-E786 VanDerWaalsContact NZ-OE1 3.13Å; K783-E786 WeakPolarHBondContact O-CB 3.35Å; K783-E786 PolarHBondContact O-N 2.96Å | ||
| 787 | L | 54.4 | Low | 78.9 | Confident | 76.3333 Ų | 76.3333 | 39 Ų | 39 | 40% | 0.4 | 19% | 0.185 | S | C | . | . | trans | -90.1 | -32.8 | -171.2 | -73.6 | 166.5 | 0 | 0 | 0 | 112.4 | K782 Y785 E917 P918 V920 | K782-L787 VanDerWaalsContact CE-O 3.31Å; K782-L787 WeakPolarHBondContact CE-O 3.37Å; K782-L787 PolarHBondContact NZ-O 2.87Å; Y785-L787 PolarHBondContact O-N 2.95Å; L787-E917 WeakPolarHBondContact CA-OE2 3.42Å; L787-E917 WeakPolarHBondContact CB-OE2 3.42Å; L787-E917 WeakPolarHBondContact CD2-OE2 3.38Å; L787-E917 PolarHBondContact N-OE2 2.85Å; L787-P918 HydrophobicContact CD1-CB 4.49Å; L787-V920 HydrophobicContact CD1-CG2 3.13Å; L787-V920 HydrophobicContact CD2-CG2 3.99Å; L787-V920 HydrophobicContact CG-CG2 4.12Å | ||
| 788 | E | 58.4 | Low | 78.8 | Confident | 85 Ų | 85 | 38.2 Ų | 38.2 | 40% | 0.397 | 18% | 0.178 | S | C | . | . | trans | -112.8 | 151.2 | 171.9 | -64.5 | -167.6 | 146.8 | 0 | 0 | 111.3 | Y915 E917 R938 | E788-Y915 VanDerWaalsContact CD-CE1 3.48Å; E788-Y915 WeakPolarHBondContact OE1-CE1 3.19Å; E788-Y915 PolarHBondContact OE1-OH 3.21Å; E788-Y915 PolarHBondContact OE2-OH 3.1Å; E788-E917 HydrophobicContact CB-CG 4.25Å; E788-E917 HydrophobicContact CG-CG 4.06Å; E788-R938 IonicContact OE1-NH2 2.99Å; E788-R938 PolarHBondContact OE1-NH2 3.29Å | ||
| 789 | Y | 69.7 | Low | 78.9 | Confident | 57.6667 Ų | 57.6667 | 38 Ų | 38 | 23% | 0.226 | 18% | 0.177 | C | C | . | . | trans | -137.4 | 146.2 | 164.7 | 48.2 | -89 | 0 | 0 | 0 | 106.5 | N686 F688 P780 K782 | N686-Y789 PolarHBondContact ND2-O 3.04Å; N686-Y789 VanDerWaalsContact ND2-O 3.13Å; N686-Y789 PolarHBondContact OD1-O 2.9Å; N686-Y789 VanDerWaalsContact OD1-O 3.07Å; F688-Y789 HydrophobicContact CD1-CD2 4.49Å; F688-Y789 AromaticContact CD1-CE2 3.94Å; F688-Y789 HydrophobicContact CD1-CE2 4.2Å; F688-Y789 HydrophobicContact CD2-CE2 4.22Å; F688-Y789 AromaticContact CE1-CD2 3.74Å; F688-Y789 HydrophobicContact CE1-CD2 3.83Å; F688-Y789 AromaticContact CE1-CE2 3.25Å; F688-Y789 HydrophobicContact CE1-CE2 3.25Å; F688-Y789 VanDerWaalsContact CE1-CE2 3.4Å; F688-Y789 AromaticContact CE1-CZ 3.83Å; F688-Y789 HydrophobicContact CE2-CD2 4.46Å; F688-Y789 AromaticContact CE2-CE2 3.43Å; F688-Y789 HydrophobicContact CE2-CE2 3.99Å; F688-Y789 VanDerWaalsContact CE2-CE2 3.43Å; F688-Y789 AromaticContact CE2-CZ 3.83Å; F688-Y789 WeakPolarHBondContact CE2-OH 3.42Å; F688-Y789 HydrophobicContact CG-CE2 4.45Å; F688-Y789 AromaticContact CZ-CD2 3.51Å; F688-Y789 HydrophobicContact CZ-CD2 4.03Å; F688-Y789 AromaticContact CZ-CE2 3.14Å; F688-Y789 HydrophobicContact CZ-CE2 3.14Å; F688-Y789 AromaticContact CZ-CZ 3.79Å; F688-Y789 VanDerWaalsContact CZ-OH 3.23Å; F688-Y789 WeakPolarHBondContact CZ-OH 3.41Å; P780-Y789 HydrophobicContact CB-CD1 3.68Å; P780-Y789 HydrophobicContact CB-CD2 3.38Å; P780-Y789 HydrophobicContact CB-CE1 3.82Å; P780-Y789 HydrophobicContact CB-CE2 3.57Å; P780-Y789 VanDerWaalsContact CB-CE2 3.44Å; P780-Y789 HydrophobicContact CB-CG 3.85Å; P780-Y789 HydrophobicContact CG-CD1 3.92Å; P780-Y789 HydrophobicContact CG-CD2 3.91Å; P780-Y789 HydrophobicContact CG-CE1 3.5Å; P780-Y789 HydrophobicContact CG-CE2 3.53Å; P780-Y789 HydrophobicContact CG-CG 4.23Å; K782-Y789 HydrophobicContact CB-CD1 4.14Å; K782-Y789 HydrophobicContact CB-CE1 4.16Å; K782-Y789 HydrophobicContact CD-CD1 4.08Å; K782-Y789 HydrophobicContact CD-CE1 4.11Å; K782-Y789 HydrophobicContact CG-CD1 4.16Å; K782-Y789 HydrophobicContact CG-CE1 4.21Å | ||
| 790 | S | 80.5 | Confident | 79.3 | Confident | 54.3333 Ų | 54.3333 | 39.8 Ų | 39.8 | 38% | 0.38 | 19% | 0.188 | S | C | . | . | trans | -113.3 | 121.4 | 171.6 | -65 | 0 | 0 | 0 | 0 | 107.5 | N686 G710 K711 | N686-S790 WeakPolarHBondContact OD1-CA 3.43Å; G710-S790 VanDerWaalsContact CA-O 3.24Å; G710-S790 WeakPolarHBondContact CA-O 3.48Å; K711-S790 PolarHBondContact N-O 3.14Å | ||
| 791 | L | 88.7 | Confident | 79.6 | Confident | 1.66667 Ų | 1.66667 | 44.9 Ų | 44.9 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.4 | 171.9 | -168.7 | 69.9 | 0 | 0 | 0 | 109.3 | N686 F688 I708 T712 I778 | N686-L791 PolarHBondContact N-O 3.21Å; N686-L791 PolarHBondContact OD1-N 2.48Å; F688-L791 HydrophobicContact CD1-CB 4.42Å; F688-L791 HydrophobicContact CD1-CD2 3.94Å; F688-L791 HydrophobicContact CE1-CB 4Å; F688-L791 HydrophobicContact CE1-CD2 4.26Å; I708-L791 HydrophobicContact CD1-CD1 3.88Å; I708-L791 HydrophobicContact CD1-CD2 4.28Å; I708-L791 HydrophobicContact CD1-CG 4.35Å; I708-L791 HydrophobicContact CG1-CD1 3.81Å; I708-L791 HydrophobicContact CG1-CG 4.38Å; T712-L791 HydrophobicContact CG2-CD1 3.28Å; T712-L791 HydrophobicContact CG2-CD2 4.47Å; T712-L791 HydrophobicContact CG2-CG 4.46Å; I778-L791 HydrophobicContact CB-CD2 4.39Å; I778-L791 HydrophobicContact CG2-CD2 4.46Å |
| 792 | F | 92.5 | Very high | 80.2 | Confident | 22.6667 Ų | 22.6667 | 42 Ų | 42 | 10% | 0.099 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.9 | 173.7 | -56.1 | -87.1 | 0 | 0 | 0 | 109.6 | T672 T675 T684 F685 I708 K709 W748 | T672-F792 HydrophobicContact CG2-CD1 4.27Å; T672-F792 HydrophobicContact CG2-CE1 4.06Å; T675-F792 HydrophobicContact CG2-CB 4.29Å; T675-F792 HydrophobicContact CG2-CD1 3.38Å; T675-F792 VanDerWaalsContact CG2-CD1 3.45Å; T675-F792 HydrophobicContact CG2-CD2 4.13Å; T675-F792 HydrophobicContact CG2-CE1 3.52Å; T675-F792 VanDerWaalsContact CG2-CE1 3.48Å; T675-F792 HydrophobicContact CG2-CE2 4.26Å; T675-F792 HydrophobicContact CG2-CG 3.7Å; T675-F792 HydrophobicContact CG2-CZ 3.97Å; T684-F792 VanDerWaalsContact O-CA 3.24Å; T684-F792 WeakPolarHBondContact O-CA 3.33Å; T684-F792 WeakPolarHBondContact O-CD1 3.43Å; F685-F792 HydrophobicContact CB-CD1 4.41Å; F685-F792 HydrophobicContact CB-CE1 4.25Å; F685-F792 HydrophobicContact CD2-CD1 4.09Å; F685-F792 AromaticContact CD2-CE1 3.48Å; F685-F792 HydrophobicContact CD2-CE1 3.48Å; F685-F792 VanDerWaalsContact CD2-CE1 3.46Å; F685-F792 HydrophobicContact CD2-CE2 4.47Å; F685-F792 AromaticContact CD2-CZ 3.75Å; F685-F792 HydrophobicContact CD2-CZ 3.75Å; F685-F792 HydrophobicContact CE2-CE1 4.25Å; F685-F792 AromaticContact CE2-CZ 3.98Å; F685-F792 HydrophobicContact CE2-CZ 4.07Å; F685-F792 HydrophobicContact CG-CE1 4.27Å; I708-F792 VanDerWaalsContact CA-O 3.32Å; I708-F792 WeakPolarHBondContact CA-O 3.39Å; K709-F792 HydrophobicContact CB-CB 4.29Å; K709-F792 HydrophobicContact CD-CD2 4.43Å; K709-F792 HydrophobicContact CG-CD2 4.28Å; K709-F792 PolarHBondContact N-O 2.92Å; K709-F792 PolarHBondContact O-N 2.79Å; W748-F792 HydrophobicContact CH2-CB 3.64Å; W748-F792 HydrophobicContact CZ2-CB 4.26Å; W748-F792 HydrophobicContact CZ3-CB 4.24Å; W748-F792 WeakPolarHBondContact CZ3-O 3.13Å |
| 793 | L | 94.2 | Very high | 81.3 | Confident | 4.33333 Ų | 4.33333 | 37.7 Ų | 37.7 | 2% | 0.023 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 134.4 | 177 | 174.9 | 76 | 0 | 0 | 0 | 108.7 | F663 T684 L687 Y690 F706 A707 F776 I778 V796 | F663-L793 WeakPolarHBondContact CE2-O 3.29Å; F663-L793 HydrophobicContact CZ-CD2 4.44Å; T684-L793 PolarHBondContact N-O 3.11Å; T684-L793 PolarHBondContact O-N 2.93Å; T684-L793 VanDerWaalsContact O-N 3.16Å; T684-L793 WeakPolarHBondContact OG1-CB 3.38Å; T684-L793 PolarHBondContact OG1-N 3.01Å; T684-L793 PolarHBondContact OG1-O 2.96Å; L687-L793 HydrophobicContact CD2-CD2 4.34Å; Y690-L793 HydrophobicContact CD2-CD2 4.23Å; F706-L793 HydrophobicContact CB-CD1 3.81Å; F706-L793 HydrophobicContact CD2-CD1 4.09Å; F706-L793 HydrophobicContact CG-CD1 4.16Å; A707-L793 WeakPolarHBondContact O-CA 3.35Å; F776-L793 HydrophobicContact CZ-CD2 4.3Å; I778-L793 HydrophobicContact CD1-CD1 4.24Å; L793-V796 HydrophobicContact CD1-CG2 4.04Å; L793-V796 HydrophobicContact CD2-CG2 3.93Å; L793-V796 HydrophobicContact CG-CG2 3.9Å |
| 794 | D | 95.1 | Very high | 82.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 159 | -174.4 | -166.2 | -21.2 | 0 | 0 | 0 | 109.9 | F678 C679 S683 A707 W748 V796 | F678-D794 WeakPolarHBondContact CA-OD2 3.42Å; F678-D794 HydrophobicContact CB-CB 3.82Å; F678-D794 VanDerWaalsContact CB-CG 3.49Å; F678-D794 VanDerWaalsContact CB-OD2 3.25Å; F678-D794 WeakPolarHBondContact CB-OD2 3.39Å; F678-D794 PolarHBondContact N-OD2 2.85Å; C679-D794 PolarHBondContact N-OD2 3.02Å; S683-D794 WeakPolarHBondContact CB-OD2 3.13Å; A707-D794 WeakPolarHBondContact CA-O 3.47Å; A707-D794 HydrophobicContact CB-CB 4.17Å; A707-D794 WeakPolarHBondContact CB-O 3.21Å; A707-D794 PolarHBondContact N-O 3.11Å; A707-D794 PolarHBondContact O-N 2.97Å; A707-D794 VanDerWaalsContact O-O 3.13Å; W748-D794 HydrophobicContact CH2-CB 3.62Å; W748-D794 HydrophobicContact CZ2-CB 4.47Å; W748-D794 HydrophobicContact CZ3-CB 3.75Å; D794-V796 PolarHBondContact O-N 2.85Å |
| 795 | T | 93.9 | Very high | 83.8 | Confident | 0.333333 Ų | 0.333333 | 37.5 Ų | 37.5 | 0% | 0.002 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 50.9 | 57.9 | 169.3 | -48.6 | 0 | 0 | 0 | 0 | 112.6 | L650 D661 C679 F706 F750 Y797 | L650-T795 HydrophobicContact CD1-CG2 3.91Å; L650-T795 HydrophobicContact CD2-CG2 4.25Å; L650-T795 HydrophobicContact CG-CG2 3.84Å; D661-T795 CarbonylContact O-C 3.5Å; D661-T795 VanDerWaalsContact O-CA 3.29Å; D661-T795 WeakPolarHBondContact O-CA 3.36Å; D661-T795 PolarHBondContact O-N 3.12Å; C679-T795 WeakPolarHBondContact CB-OG1 3.31Å; F706-T795 WeakPolarHBondContact CA-O 3.33Å; F750-T795 HydrophobicContact CE2-CG2 4.34Å; T795-Y797 PolarHBondContact O-N 2.91Å |
| 796 | V | 94.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 115.4 | 178.8 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | L660 D661 F663 Y690 L704 C705 F706 F776 L793 D794 | L660-V796 CarbonylContact C-O 3.56Å; L660-V796 VanDerWaalsContact CA-O 3.25Å; L660-V796 WeakPolarHBondContact CA-O 3.3Å; D661-V796 HydrophobicContact CB-CB 4.46Å; D661-V796 PolarHBondContact N-O 2.99Å; D661-V796 PolarHBondContact O-N 3.32Å; F663-V796 HydrophobicContact CE2-CG2 4.07Å; F663-V796 HydrophobicContact CZ-CG2 3.96Å; Y690-V796 HydrophobicContact CD1-CG1 4.08Å; Y690-V796 HydrophobicContact CD2-CB 4.45Å; Y690-V796 HydrophobicContact CD2-CG1 4.32Å; Y690-V796 HydrophobicContact CD2-CG2 4.11Å; Y690-V796 HydrophobicContact CE1-CG1 3.91Å; Y690-V796 HydrophobicContact CE2-CB 4.3Å; Y690-V796 HydrophobicContact CE2-CG1 4.36Å; Y690-V796 HydrophobicContact CE2-CG2 4.19Å; Y690-V796 HydrophobicContact CG-CG1 4.38Å; Y690-V796 HydrophobicContact CG-CG2 4.5Å; L704-V796 HydrophobicContact CD1-CG1 4.3Å; C705-V796 WeakPolarHBondContact O-CA 3.43Å; F706-V796 HydrophobicContact CB-CG2 4.26Å; F776-V796 HydrophobicContact CE1-CG1 3.76Å; F776-V796 HydrophobicContact CZ-CG1 3.94Å; F776-V796 HydrophobicContact CZ-CG2 4.17Å; L793-V796 HydrophobicContact CD1-CG2 4.04Å; L793-V796 HydrophobicContact CD2-CG2 3.93Å; L793-V796 HydrophobicContact CG-CG2 3.9Å; D794-V796 PolarHBondContact O-N 2.85Å |
| 797 | Y | 95 | Very high | 86.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 137.2 | -178.5 | 164.6 | -87.9 | 0 | 0 | 0 | 110.8 | P653 F655 Y657 V659 L660 L704 C705 T795 G799 K801 I803 | P653-Y797 HydrophobicContact CB-CE2 4.49Å; P653-Y797 HydrophobicContact CG-CD2 4.34Å; P653-Y797 HydrophobicContact CG-CE2 4.03Å; F655-Y797 HydrophobicContact CD2-CE2 4.36Å; F655-Y797 VanDerWaalsContact CD2-OH 3.3Å; F655-Y797 WeakPolarHBondContact CD2-OH 3.4Å; F655-Y797 AromaticContact CE2-CE2 3.83Å; F655-Y797 HydrophobicContact CE2-CE2 3.97Å; F655-Y797 AromaticContact CE2-CZ 3.66Å; F655-Y797 WeakPolarHBondContact CE2-OH 3.34Å; Y657-Y797 VanDerWaalsContact CB-CE2 3.44Å; Y657-Y797 HydrophobicContact CD1-CE2 4.28Å; Y657-Y797 HydrophobicContact CG-CD2 4.4Å; Y657-Y797 AromaticContact CG-CE2 3.97Å; Y657-Y797 HydrophobicContact CG-CE2 3.97Å; V659-Y797 CarbonylContact O-C 3.57Å; V659-Y797 WeakPolarHBondContact O-CA 3.39Å; L660-Y797 HydrophobicContact CD1-CD2 4.22Å; L704-Y797 CarbonylContact C-O 3.52Å; L704-Y797 WeakPolarHBondContact CA-O 3.36Å; C705-Y797 HydrophobicContact CB-CD1 3.98Å; C705-Y797 PolarHBondContact N-O 2.97Å; C705-Y797 PolarHBondContact O-N 3.1Å; T795-Y797 PolarHBondContact O-N 2.91Å; Y797-G799 VanDerWaalsContact OH-CA 3.29Å; Y797-G799 WeakPolarHBondContact OH-CA 3.4Å; Y797-K801 VanDerWaalsContact CE1-O 3.26Å; Y797-K801 WeakPolarHBondContact CE1-O 3.25Å; Y797-K801 PolarHBondContact OH-O 3.06Å; Y797-I803 HydrophobicContact CD1-CD1 3.94Å; Y797-I803 HydrophobicContact CD1-CG1 3.94Å; Y797-I803 HydrophobicContact CD2-CD1 3.91Å; Y797-I803 HydrophobicContact CD2-CG1 4.2Å; Y797-I803 HydrophobicContact CE1-CD1 4.38Å; Y797-I803 HydrophobicContact CE1-CG1 4.13Å; Y797-I803 HydrophobicContact CE2-CD1 4.42Å; Y797-I803 HydrophobicContact CE2-CG1 4.35Å; Y797-I803 HydrophobicContact CG-CD1 3.57Å; Y797-I803 VanDerWaalsContact CG-CD1 3.48Å; Y797-I803 HydrophobicContact CG-CG1 3.98Å |
| 798 | M | 94.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 115.5 | 167.8 | -165.7 | 165.2 | -178.4 | 0 | 0 | 111.5 | A658 V659 F692 I696 V698 N701 Y703 L704 L773 | A658-M798 PolarHBondContact N-O 3.06Å; V659-M798 HydrophobicContact CB-CB 4.28Å; V659-M798 PolarHBondContact N-O 3.08Å; V659-M798 PolarHBondContact O-N 3.05Å; F692-M798 HydrophobicContact CE1-SD 4.34Å; F692-M798 HydrophobicContact CE2-SD 4.42Å; F692-M798 HydrophobicContact CZ-SD 3.91Å; I696-M798 HydrophobicContact CB-CE 4.39Å; I696-M798 HydrophobicContact CB-SD 4.04Å; I696-M798 HydrophobicContact CG1-SD 4.37Å; I696-M798 HydrophobicContact CG2-CE 3.95Å; I696-M798 HydrophobicContact CG2-CG 4.12Å; I696-M798 HydrophobicContact CG2-SD 3.62Å; V698-M798 HydrophobicContact CB-CE 4.4Å; V698-M798 HydrophobicContact CG1-CE 4.19Å; V698-M798 HydrophobicContact CG2-CE 4Å; N701-M798 HydrophobicContact CB-CG 4.27Å; N701-M798 WeakPolarHBondContact O-CE 3.26Å; Y703-M798 CarbonylContact O-C 3.51Å; Y703-M798 VanDerWaalsContact O-CA 3.24Å; Y703-M798 WeakPolarHBondContact O-CA 3.43Å; L704-M798 HydrophobicContact CD1-CB 4.46Å; L773-M798 HydrophobicContact CB-CE 4.29Å; L773-M798 HydrophobicContact CD2-CE 3.79Å; L773-M798 HydrophobicContact CD2-SD 3.87Å |
| 799 | G | 94.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | -167.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 117 | N701 P702 Y703 Y797 K801 | N701-G799 CarbonylContact C-O 3.53Å; N701-G799 VanDerWaalsContact C-O 3.27Å; N701-G799 VanDerWaalsContact CA-O 3.3Å; N701-G799 WeakPolarHBondContact CA-O 3.2Å; N701-G799 WeakPolarHBondContact OD1-CA 3.32Å; P702-G799 WeakPolarHBondContact CD-O 3.35Å; Y703-G799 PolarHBondContact N-O 3.12Å; Y703-G799 VanDerWaalsContact N-O 3.17Å; Y703-G799 PolarHBondContact O-N 3.05Å; Y797-G799 VanDerWaalsContact OH-CA 3.29Å; Y797-G799 WeakPolarHBondContact OH-CA 3.4Å; G799-K801 PolarHBondContact O-N 3.15Å |
| 800 | T | 95.1 | Very high | 90.7 | Very high | 56 Ų | 56 | 33.9 Ų | 33.9 | 34% | 0.344 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -73.9 | -24.6 | -168.9 | 52.5 | 0 | 0 | 0 | 0 | 114.4 | K656 T700 Y703 | K656-T800 HydrophobicContact CB-CG2 4.19Å; K656-T800 WeakPolarHBondContact O-CB 3.38Å; K656-T800 VanDerWaalsContact O-CG2 3.31Å; K656-T800 WeakPolarHBondContact O-CG2 3.44Å; K656-T800 PolarHBondContact O-N 3.14Å; K656-T800 VanDerWaalsContact O-N 3.11Å; K656-T800 PolarHBondContact O-OG1 3Å; T700-T800 WeakPolarHBondContact O-CG2 3.4Å; Y703-T800 WeakPolarHBondContact CD2-O 3.41Å; Y703-T800 WeakPolarHBondContact CE2-O 3.27Å |
| 801 | K | 92 | Very high | 91.1 | Very high | 131.75 Ų | 131.75 | 32.9 Ų | 32.9 | 57% | 0.573 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -139.6 | 157.9 | 179.3 | -71.9 | -171.4 | 177.6 | -173 | 0 | 109.7 | F655 Y703 Y797 G799 | F655-K801 HydrophobicContact CD2-CB 4.01Å; F655-K801 HydrophobicContact CE2-CB 4.17Å; F655-K801 HydrophobicContact CG-CB 4.39Å; Y703-K801 VanDerWaalsContact CD2-C 3.45Å; Y703-K801 VanDerWaalsContact CD2-CA 3.48Å; Y797-K801 VanDerWaalsContact CE1-O 3.26Å; Y797-K801 WeakPolarHBondContact CE1-O 3.25Å; Y797-K801 PolarHBondContact OH-O 3.06Å; G799-K801 PolarHBondContact O-N 3.15Å |
| 802 | P | 91.9 | Very high | 91 | Very high | 28.25 Ų | 28.25 | 35.4 Ų | 35.4 | 18% | 0.183 | 19% | 0.192 | C | C | . | . | trans | -63.5 | 151.1 | 168.2 | 30.5 | -35.3 | 0 | 0 | 0 | 110.1 | Y703 C752 S804 | Y703-P802 HydrophobicContact CD1-CB 4.11Å; Y703-P802 HydrophobicContact CD1-CG 4.32Å; Y703-P802 HydrophobicContact CE1-CG 4.32Å; Y703-P802 HydrophobicContact CG-CB 4.44Å; C752-P802 HydrophobicContact CB-CB 4.2Å; P802-S804 VanDerWaalsContact C-N 3.28Å; P802-S804 PolarHBondContact O-N 3.23Å | ||
| 803 | I | 89 | Confident | 90.8 | Very high | 13.25 Ų | 13.25 | 35.7 Ų | 35.7 | 7% | 0.068 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -66.5 | -32.5 | 178.8 | -90.8 | 173.6 | 0 | 0 | 0 | 112 | L650 F655 C705 F750 Y797 W813 | L650-I803 HydrophobicContact CD1-CD1 4.18Å; L650-I803 HydrophobicContact CD1-CG2 4.1Å; L650-I803 HydrophobicContact CD2-CD1 4.36Å; L650-I803 HydrophobicContact CD2-CG2 3.85Å; F655-I803 HydrophobicContact CE2-CG1 4.38Å; F655-I803 HydrophobicContact CZ-CG1 4.35Å; C705-I803 HydrophobicContact CB-CD1 4.39Å; F750-I803 HydrophobicContact CE1-CB 4.39Å; F750-I803 HydrophobicContact CZ-CB 4.43Å; F750-I803 HydrophobicContact CZ-CD1 3.94Å; F750-I803 HydrophobicContact CZ-CG1 4.5Å; Y797-I803 HydrophobicContact CD1-CD1 3.94Å; Y797-I803 HydrophobicContact CD1-CG1 3.94Å; Y797-I803 HydrophobicContact CD2-CD1 3.91Å; Y797-I803 HydrophobicContact CD2-CG1 4.2Å; Y797-I803 HydrophobicContact CE1-CD1 4.38Å; Y797-I803 HydrophobicContact CE1-CG1 4.13Å; Y797-I803 HydrophobicContact CE2-CD1 4.42Å; Y797-I803 HydrophobicContact CE2-CG1 4.35Å; Y797-I803 HydrophobicContact CG-CD1 3.57Å; Y797-I803 VanDerWaalsContact CG-CD1 3.48Å; Y797-I803 HydrophobicContact CG-CG1 3.98Å; I803-W813 HydrophobicContact CG2-CZ3 4.2Å |
| 804 | S | 88.4 | Confident | 90.4 | Very high | 17 Ų | 17 | 36.4 Ų | 36.4 | 12% | 0.119 | 20% | 0.197 | C | C | . | . | trans | -141 | 144.6 | 174.4 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | P802 N806 V810 | P802-S804 VanDerWaalsContact C-N 3.28Å; P802-S804 PolarHBondContact O-N 3.23Å; S804-N806 VanDerWaalsContact C-N 3.26Å; S804-N806 VanDerWaalsContact CB-O 3.31Å; S804-N806 WeakPolarHBondContact CB-O 3.34Å; S804-N806 PolarHBondContact O-N 3.14Å; S804-N806 PolarHBondContact OG-N 3.15Å; S804-N806 VanDerWaalsContact OG-N 3.09Å; S804-N806 PolarHBondContact OG-O 2.92Å; S804-N806 VanDerWaalsContact OG-O 3.1Å; S804-V810 VanDerWaalsContact CB-CG2 3.49Å; S804-V810 WeakPolarHBondContact OG-CG2 3.39Å | ||
| 805 | D | 85.2 | Confident | 89.9 | Confident | 156 Ų | 156 | 37.6 Ų | 37.6 | 83% | 0.834 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -70.1 | -21.8 | 171.2 | -61.3 | -46.4 | 0 | 0 | 0 | 111.8 | P807 | D805-P807 WeakPolarHBondContact O-CD 3.26Š|
| 806 | N | 88.7 | Confident | 89.4 | Confident | 80.25 Ų | 80.25 | 41.6 Ų | 41.6 | 43% | 0.429 | 22% | 0.219 | S | C | . | . | trans | -118.3 | 90.4 | 172 | -173.4 | -8.6 | 0 | 0 | 0 | 109.6 | S804 D808 D809 V810 | S804-N806 VanDerWaalsContact C-N 3.26Å; S804-N806 VanDerWaalsContact CB-O 3.31Å; S804-N806 WeakPolarHBondContact CB-O 3.34Å; S804-N806 PolarHBondContact O-N 3.14Å; S804-N806 PolarHBondContact OG-N 3.15Å; S804-N806 VanDerWaalsContact OG-N 3.09Å; S804-N806 PolarHBondContact OG-O 2.92Å; S804-N806 VanDerWaalsContact OG-O 3.1Å; N806-D808 VanDerWaalsContact C-N 3.28Å; N806-D808 PolarHBondContact O-N 3.22Å; N806-D808 PolarHBondContact OD1-N 3.03Å; N806-D809 HydrophobicContact CB-CB 4.04Å; N806-D809 VanDerWaalsContact CG-CB 3.46Å; N806-D809 WeakPolarHBondContact ND2-CB 3.02Å; N806-D809 WeakPolarHBondContact O-CB 3.27Å; N806-D809 PolarHBondContact O-N 3.18Å; N806-D809 PolarHBondContact OD1-N 2.9Å; N806-D809 VanDerWaalsContact OD1-N 3.13Å; N806-V810 WeakPolarHBondContact O-CG2 3.34Å | ||
| 807 | P | 87.3 | Confident | 88.9 | Confident | 29 Ų | 29 | 42.2 Ų | 42.2 | 19% | 0.188 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.2 | -29.8 | -178.4 | 26 | -33.7 | 0 | 0 | 0 | 113 | F750 C752 D805 D809 V810 | F750-P807 HydrophobicContact CD1-CB 4.17Å; C752-P807 HydrophobicContact CB-CB 4.42Å; D805-P807 WeakPolarHBondContact O-CD 3.26Å; P807-D809 VanDerWaalsContact C-N 3.3Å; P807-D809 PolarHBondContact O-N 2.9Å; P807-V810 WeakPolarHBondContact O-CB 3.38Å; P807-V810 PolarHBondContact O-N 3.01Å; P807-V810 VanDerWaalsContact O-N 3.13Å |
| 808 | D | 85.8 | Confident | 88.2 | Confident | 93.5 Ų | 93.5 | 47.3 Ų | 47.3 | 50% | 0.5 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.8 | -27.2 | 179 | -63.7 | -42.9 | 0 | 0 | 0 | 111.7 | K751 N806 V810 V811 | K751-D808 IonicContact NZ-OD1 2.84Å; K751-D808 PolarHBondContact NZ-OD1 3.33Å; K751-D808 IonicContact NZ-OD2 3.86Å; K751-D808 PolarHBondContact NZ-OD2 3.38Å; N806-D808 VanDerWaalsContact C-N 3.28Å; N806-D808 PolarHBondContact O-N 3.22Å; N806-D808 PolarHBondContact OD1-N 3.03Å; D808-V810 VanDerWaalsContact C-N 3.34Å; D808-V811 PolarHBondContact O-N 2.88Å |
| 809 | D | 87.5 | Confident | 87.6 | Confident | 22.75 Ų | 22.75 | 48.5 Ų | 48.5 | 12% | 0.122 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.4 | -32.6 | 172.5 | -174.3 | 54.3 | 0 | 0 | 0 | 113.2 | K522 N806 P807 V811 T812 W813 | K522-D809 WeakPolarHBondContact CE-OD1 3.36Å; K522-D809 IonicContact NZ-OD1 3.24Å; K522-D809 PolarHBondContact NZ-OD1 3.08Å; K522-D809 IonicContact NZ-OD2 3.99Å; N806-D809 HydrophobicContact CB-CB 4.04Å; N806-D809 VanDerWaalsContact CG-CB 3.46Å; N806-D809 WeakPolarHBondContact ND2-CB 3.02Å; N806-D809 WeakPolarHBondContact O-CB 3.27Å; N806-D809 PolarHBondContact O-N 3.18Å; N806-D809 PolarHBondContact OD1-N 2.9Å; N806-D809 VanDerWaalsContact OD1-N 3.13Å; P807-D809 VanDerWaalsContact C-N 3.3Å; P807-D809 PolarHBondContact O-N 2.9Å; D809-V811 PolarHBondContact O-N 3.06Å; D809-V811 VanDerWaalsContact O-N 3.11Å; D809-T812 WeakPolarHBondContact O-CB 3.2Å; D809-T812 PolarHBondContact O-N 3.11Å; D809-T812 PolarHBondContact O-OG1 3.08Å; D809-T812 PolarHBondContact OD1-OG1 2.96Å; D809-W813 VanDerWaalsContact O-CD1 3.27Å; D809-W813 PolarHBondContact O-NE1 3.03Å; D809-W813 PolarHBondContact OD2-NE1 3.13Å |
| 810 | V | 89.6 | Confident | 87 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.1 | -28.4 | -176.7 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | L650 F678 F750 S804 N806 P807 D808 T812 W813 P814 R815 | L650-V810 HydrophobicContact CD1-CG1 4.03Å; L650-V810 HydrophobicContact CD2-CG1 3.73Å; L650-V810 HydrophobicContact CG-CG1 4.42Å; F678-V810 HydrophobicContact CE1-CG1 4.43Å; F678-V810 HydrophobicContact CZ-CG1 4.24Å; F750-V810 HydrophobicContact CB-CB 4.13Å; F750-V810 HydrophobicContact CB-CG1 4.37Å; F750-V810 HydrophobicContact CD1-CB 3.63Å; F750-V810 HydrophobicContact CD1-CG1 3.7Å; F750-V810 HydrophobicContact CD1-CG2 3.86Å; F750-V810 HydrophobicContact CD2-CG1 4.14Å; F750-V810 HydrophobicContact CE1-CB 4.22Å; F750-V810 HydrophobicContact CE1-CG1 3.94Å; F750-V810 HydrophobicContact CE1-CG2 4.15Å; F750-V810 HydrophobicContact CE2-CG1 4.37Å; F750-V810 HydrophobicContact CG-CB 3.92Å; F750-V810 HydrophobicContact CG-CG1 3.8Å; F750-V810 HydrophobicContact CZ-CG1 4.27Å; S804-V810 VanDerWaalsContact CB-CG2 3.49Å; S804-V810 WeakPolarHBondContact OG-CG2 3.39Å; N806-V810 WeakPolarHBondContact O-CG2 3.34Å; P807-V810 WeakPolarHBondContact O-CB 3.38Å; P807-V810 PolarHBondContact O-N 3.01Å; P807-V810 VanDerWaalsContact O-N 3.13Å; D808-V810 VanDerWaalsContact C-N 3.34Å; V810-T812 VanDerWaalsContact C-N 3.27Å; V810-T812 PolarHBondContact O-N 2.99Å; V810-W813 HydrophobicContact CB-CD2 4.32Å; V810-W813 HydrophobicContact CB-CE3 4.43Å; V810-W813 HydrophobicContact CG1-CD2 4.23Å; V810-W813 HydrophobicContact CG1-CE3 3.93Å; V810-W813 HydrophobicContact CG1-CH2 4.4Å; V810-W813 HydrophobicContact CG1-CZ3 4.22Å; V810-W813 HydrophobicContact CG2-CD2 4.37Å; V810-W813 HydrophobicContact CG2-CE3 4.35Å; V810-W813 HydrophobicContact CG2-CH2 4.08Å; V810-W813 HydrophobicContact CG2-CZ2 4.03Å; V810-W813 HydrophobicContact CG2-CZ3 4.16Å; V810-W813 WeakPolarHBondContact O-CB 3.39Å; V810-W813 PolarHBondContact O-N 3.23Å; V810-W813 VanDerWaalsContact O-N 3.09Å; V810-P814 VanDerWaalsContact O-CD 3.25Å; V810-P814 WeakPolarHBondContact O-CD 3.39Å; V810-R815 PolarHBondContact O-NH2 2.02Å; V810-R815 VanDerWaalsContact O-NH2 3.11Å |
| 811 | V | 88.7 | Confident | 86.6 | Confident | 33.75 Ų | 33.75 | 46.2 Ų | 46.2 | 21% | 0.205 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -27.6 | 176.1 | -179.6 | 0 | 0 | 0 | 0 | 112.3 | F678 W748 F750 D808 D809 W813 R815 | F678-V811 HydrophobicContact CE2-CG2 4.49Å; W748-V811 VanDerWaalsContact O-CG1 3.23Å; W748-V811 WeakPolarHBondContact O-CG1 3.31Å; F750-V811 HydrophobicContact CB-CG2 3.86Å; F750-V811 VanDerWaalsContact N-CG2 3.33Å; D808-V811 PolarHBondContact O-N 2.88Å; D809-V811 PolarHBondContact O-N 3.06Å; D809-V811 VanDerWaalsContact O-N 3.11Å; V811-W813 VanDerWaalsContact C-N 3.32Å; V811-W813 PolarHBondContact O-N 2.6Å; V811-R815 PolarHBondContact O-NH1 3.5Å; V811-R815 PolarHBondContact O-NH2 3.43Å |
| 812 | T | 87.6 | Confident | 86.2 | Confident | 55 Ų | 55 | 40.9 Ų | 40.9 | 34% | 0.337 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -7.2 | -179.9 | 72.6 | 0 | 0 | 0 | 0 | 113.6 | S528 C529 D809 V810 | S528-T812 WeakPolarHBondContact CA-O 3.35Å; C529-T812 PolarHBondContact N-O 2.86Å; D809-T812 WeakPolarHBondContact O-CB 3.2Å; D809-T812 PolarHBondContact O-N 3.11Å; D809-T812 PolarHBondContact O-OG1 3.08Å; D809-T812 PolarHBondContact OD1-OG1 2.96Å; V810-T812 VanDerWaalsContact C-N 3.27Å; V810-T812 PolarHBondContact O-N 2.99Å |
| 813 | W | 87.4 | Confident | 86.1 | Confident | 28.75 Ų | 28.75 | 41.5 Ų | 41.5 | 11% | 0.109 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -77.5 | -39.6 | -173.9 | -58.9 | -3.7 | 0 | 0 | 0 | 114 | S528 L531 K550 P647 K649 L650 I803 D809 V810 V811 R815 | S528-W813 PolarHBondContact OG-O 3.13Å; L531-W813 HydrophobicContact CD2-CH2 4.05Å; L531-W813 HydrophobicContact CD2-CZ2 3.29Å; L531-W813 HydrophobicContact CG-CZ2 4.43Å; K550-W813 PolarHBondContact NZ-O 2.83Å; P647-W813 HydrophobicContact CG-CB 3.66Å; P647-W813 WeakPolarHBondContact CG-O 3.27Å; K649-W813 HydrophobicContact CD-CE3 4.1Å; K649-W813 HydrophobicContact CD-CH2 4.45Å; K649-W813 HydrophobicContact CD-CZ3 3.92Å; K649-W813 HydrophobicContact CG-CE3 4.27Å; K649-W813 HydrophobicContact CG-CZ3 4.13Å; L650-W813 HydrophobicContact CD1-CE3 4.21Å; L650-W813 HydrophobicContact CG-CE3 4.2Å; I803-W813 HydrophobicContact CG2-CZ3 4.2Å; D809-W813 VanDerWaalsContact O-CD1 3.27Å; D809-W813 PolarHBondContact O-NE1 3.03Å; D809-W813 PolarHBondContact OD2-NE1 3.13Å; V810-W813 HydrophobicContact CB-CD2 4.32Å; V810-W813 HydrophobicContact CB-CE3 4.43Å; V810-W813 HydrophobicContact CG1-CD2 4.23Å; V810-W813 HydrophobicContact CG1-CE3 3.93Å; V810-W813 HydrophobicContact CG1-CH2 4.4Å; V810-W813 HydrophobicContact CG1-CZ3 4.22Å; V810-W813 HydrophobicContact CG2-CD2 4.37Å; V810-W813 HydrophobicContact CG2-CE3 4.35Å; V810-W813 HydrophobicContact CG2-CH2 4.08Å; V810-W813 HydrophobicContact CG2-CZ2 4.03Å; V810-W813 HydrophobicContact CG2-CZ3 4.16Å; V810-W813 WeakPolarHBondContact O-CB 3.39Å; V810-W813 PolarHBondContact O-N 3.23Å; V810-W813 VanDerWaalsContact O-N 3.09Å; V811-W813 VanDerWaalsContact C-N 3.32Å; V811-W813 PolarHBondContact O-N 2.6Å; W813-R815 PolarHBondContact O-N 2.97Å; W813-R815 VanDerWaalsContact O-N 3.17Å |
| 814 | P | 85.4 | Confident | 86.3 | Confident | 19.5 Ų | 19.5 | 40.9 Ų | 40.9 | 13% | 0.127 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -61.3 | 146.3 | 175.4 | -23 | 33.8 | 0 | 0 | 0 | 112.2 | S528 W645 L650 F678 V810 F816 | S528-P814 WeakPolarHBondContact CB-O 3.46Å; S528-P814 PolarHBondContact OG-O 2.7Å; W645-P814 WeakPolarHBondContact O-CA 3.23Å; L650-P814 HydrophobicContact CD1-CG 4.34Å; L650-P814 HydrophobicContact CD2-CG 4.48Å; F678-P814 HydrophobicContact CD1-CG 4.32Å; F678-P814 HydrophobicContact CD2-CG 4.33Å; F678-P814 HydrophobicContact CE1-CG 3.99Å; F678-P814 HydrophobicContact CE2-CG 4Å; F678-P814 HydrophobicContact CG-CG 4.41Å; F678-P814 HydrophobicContact CZ-CG 3.82Å; F678-P814 VanDerWaalsContact O-CB 3.31Å; F678-P814 WeakPolarHBondContact O-CB 3.3Å; F678-P814 WeakPolarHBondContact O-CG 3.33Å; V810-P814 VanDerWaalsContact O-CD 3.25Å; V810-P814 WeakPolarHBondContact O-CD 3.39Å; P814-F816 HydrophobicContact CB-CD1 4.4Å; P814-F816 HydrophobicContact CB-CD2 3.94Å; P814-F816 HydrophobicContact CB-CE1 4.02Å; P814-F816 HydrophobicContact CB-CE2 4.08Å; P814-F816 HydrophobicContact CB-CZ 3.89Å; P814-F816 HydrophobicContact CG-CE1 4.27Å; P814-F816 HydrophobicContact CG-CE2 4.37Å; P814-F816 HydrophobicContact CG-CZ 4.13Å |
| 815 | R | 85.2 | Confident | 86.6 | Confident | 25 Ų | 25 | 45 Ų | 45 | 9% | 0.094 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -105.3 | 103.9 | 168.7 | -159.9 | -174.6 | 160.9 | 177.9 | 6.9 | 108.3 | F526 M619 Y620 S644 W645 V810 V811 W813 | F526-R815 HydrophobicContact CB-CG 3.97Å; M619-R815 HydrophobicContact CE-CG 3.75Å; M619-R815 VanDerWaalsContact CE-NE 3.3Å; Y620-R815 VanDerWaalsContact CE1-NH1 3.28Å; Y620-R815 VanDerWaalsContact CZ-NH1 3.3Å; Y620-R815 VanDerWaalsContact N-NH2 3.18Å; Y620-R815 PolarHBondContact O-NH1 2.9Å; Y620-R815 PolarHBondContact O-NH2 3.25Å; Y620-R815 VanDerWaalsContact O-NH2 3.15Å; Y620-R815 PolarHBondContact OH-NH1 2.84Å; Y620-R815 VanDerWaalsContact OH-NH1 3.1Å; S644-R815 WeakPolarHBondContact CA-O 3.33Å; W645-R815 HydrophobicContact CB-CB 4.2Å; W645-R815 HydrophobicContact CE3-CB 4.18Å; W645-R815 PolarHBondContact N-O 2.82Å; W645-R815 VanDerWaalsContact N-O 3.14Å; W645-R815 PolarHBondContact O-N 2.85Å; V810-R815 PolarHBondContact O-NH2 2.02Å; V810-R815 VanDerWaalsContact O-NH2 3.11Å; V811-R815 PolarHBondContact O-NH1 3.5Å; V811-R815 PolarHBondContact O-NH2 3.43Å; W813-R815 PolarHBondContact O-N 2.97Å; W813-R815 VanDerWaalsContact O-N 3.17Å |
| 816 | F | 83.8 | Confident | 87.1 | Confident | 84.5 Ų | 84.5 | 38 Ų | 38 | 37% | 0.371 | 19% | 0.193 | S | C | . | . | trans | -78.9 | 115.7 | -178.2 | -66.2 | -66.3 | 0 | 0 | 0 | 113.1 | M619 S644 V676 A677 F678 W748 P814 K818 | M619-F816 WeakPolarHBondContact CE-O 3.46Å; M619-F816 VanDerWaalsContact SD-O 3.34Å; S644-F816 WeakPolarHBondContact OG-CD1 3.37Å; V676-F816 HydrophobicContact CG1-CB 4.27Å; V676-F816 HydrophobicContact CG1-CD1 3.65Å; V676-F816 HydrophobicContact CG1-CE1 4.43Å; V676-F816 HydrophobicContact CG1-CG 4.37Å; A677-F816 WeakPolarHBondContact O-CE1 3.41Å; F678-F816 HydrophobicContact CD2-CE1 4.34Å; F678-F816 AromaticContact CD2-CZ 3.99Å; F678-F816 HydrophobicContact CD2-CZ 4.04Å; F678-F816 HydrophobicContact CE2-CZ 4.29Å; W748-F816 AromaticContact CD1-CE1 3.77Å; W748-F816 AromaticContact CD1-CZ 3.93Å; P814-F816 HydrophobicContact CB-CD1 4.4Å; P814-F816 HydrophobicContact CB-CD2 3.94Å; P814-F816 HydrophobicContact CB-CE1 4.02Å; P814-F816 HydrophobicContact CB-CE2 4.08Å; P814-F816 HydrophobicContact CB-CZ 3.89Å; P814-F816 HydrophobicContact CG-CE1 4.27Å; P814-F816 HydrophobicContact CG-CE2 4.37Å; P814-F816 HydrophobicContact CG-CZ 4.13Å; F816-K818 PolarHBondContact O-N 2.93Å | ||
| 817 | P | 84 | Confident | 87.5 | Confident | 12.5 Ų | 12.5 | 37.4 Ų | 37.4 | 8% | 0.081 | 19% | 0.192 | C | C | . | . | trans | -71.6 | 147.6 | 176.6 | 33.4 | -37.9 | 0 | 0 | 0 | 111 | M619 L641 S644 V676 D819 I820 | M619-P817 VanDerWaalsContact SD-C 3.59Å; M619-P817 VanDerWaalsContact SD-CA 3.55Å; L641-P817 VanDerWaalsContact O-CB 3.25Å; L641-P817 WeakPolarHBondContact O-CB 3.3Å; S644-P817 WeakPolarHBondContact OG-CD 3.44Å; V676-P817 HydrophobicContact CG1-CG 4Å; V676-P817 HydrophobicContact CG2-CG 4.18Å; P817-D819 VanDerWaalsContact C-N 3.3Å; P817-D819 VanDerWaalsContact CB-O 3.29Å; P817-D819 WeakPolarHBondContact CB-O 3.28Å; P817-D819 WeakPolarHBondContact CG-O 3.28Å; P817-D819 PolarHBondContact O-N 3.1Å; P817-I820 HydrophobicContact CG-CG2 4.48Å | ||
| 818 | K | 80.6 | Confident | 87.8 | Confident | 106.5 Ų | 106.5 | 38.9 Ų | 38.9 | 46% | 0.463 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -67.3 | -24.7 | 171 | -149.3 | 177.9 | -177.3 | 177.9 | 0 | 110.9 | Y616 G617 M619 F816 I820 E850 | Y616-K818 HydrophobicContact CD1-CB 4.35Å; G617-K818 WeakPolarHBondContact O-CD 3.41Å; G617-K818 PolarHBondContact O-NZ 2.79Å; M619-K818 HydrophobicContact CG-CB 4.49Å; M619-K818 HydrophobicContact SD-CB 3.99Å; M619-K818 PolarHBondContact SD-N 2.95Å; F816-K818 PolarHBondContact O-N 2.93Å; K818-I820 HydrophobicContact CB-CG1 4.21Å; K818-I820 WeakPolarHBondContact O-CG1 3.49Å; K818-I820 PolarHBondContact O-N 2.95Å; K818-I820 VanDerWaalsContact O-N 3.08Å; K818-E850 VanDerWaalsContact CE-OE1 3.29Å; K818-E850 WeakPolarHBondContact CE-OE1 3.25Å; K818-E850 IonicContact NZ-OE1 3.29Å; K818-E850 PolarHBondContact NZ-OE1 2.96Å; K818-E850 IonicContact NZ-OE2 3.51Å; K818-E850 PolarHBondContact NZ-OE2 3.09Å |
| 819 | D | 81.6 | Confident | 88.2 | Confident | 24.75 Ų | 24.75 | 37.6 Ų | 37.6 | 13% | 0.132 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -130.3 | 158.1 | 175.1 | -160.1 | -3.9 | 0 | 0 | 0 | 109.5 | Y616 G642 P817 F821 K843 R846 F849 | Y616-D819 HydrophobicContact CD1-CB 4.38Å; Y616-D819 HydrophobicContact CE1-CB 3.54Å; Y616-D819 VanDerWaalsContact CE1-CB 3.48Å; Y616-D819 PolarHBondContact OH-OD2 3.05Å; G642-D819 VanDerWaalsContact CA-O 3.3Å; G642-D819 WeakPolarHBondContact CA-O 3.36Å; P817-D819 VanDerWaalsContact C-N 3.3Å; P817-D819 VanDerWaalsContact CB-O 3.29Å; P817-D819 WeakPolarHBondContact CB-O 3.28Å; P817-D819 WeakPolarHBondContact CG-O 3.28Å; P817-D819 PolarHBondContact O-N 3.1Å; D819-F821 HydrophobicContact CB-CE1 4.37Å; D819-F821 HydrophobicContact CB-CZ 4.39Å; D819-K843 WeakPolarHBondContact OD1-CD 3.39Å; D819-K843 WeakPolarHBondContact OD1-CE 3.22Å; D819-K843 IonicContact OD1-NZ 3.61Å; D819-K843 PolarHBondContact OD1-NZ 2.91Å; D819-K843 IonicContact OD2-NZ 3.27Å; D819-K843 PolarHBondContact OD2-NZ 3.33Å; D819-R846 VanDerWaalsContact CB-NH2 3.31Å; D819-R846 VanDerWaalsContact O-CZ 3.28Å; D819-R846 PolarHBondContact O-NH1 3.44Å; D819-R846 VanDerWaalsContact OD1-CD 3.25Å; D819-R846 WeakPolarHBondContact OD1-CD 3.44Å; D819-R846 IonicContact OD1-CZ 2.78Å; D819-R846 IonicContact OD1-NE 3.23Å; D819-R846 IonicContact OD1-NH1 2.91Å; D819-R846 PolarHBondContact OD1-NH1 2.78Å; D819-R846 IonicContact OD2-CZ 2.93Å; D819-R846 IonicContact OD2-NH2 3.86Å; D819-R846 PolarHBondContact OD2-NH2 2.66Å; D819-F849 VanDerWaalsContact OD2-CD1 3.31Å; D819-F849 WeakPolarHBondContact OD2-CD1 3.36Å; D819-F849 VanDerWaalsContact OD2-CE1 3.28Å; D819-F849 WeakPolarHBondContact OD2-CE1 3.38Å |
| 820 | I | 82.5 | Confident | 88.2 | Confident | 4.5 Ų | 4.5 | 45 Ų | 45 | 2% | 0.023 | 23% | 0.228 | C | C | . | . | trans | -116.2 | 156.9 | -179.1 | -163.8 | 176.6 | 0 | 0 | 0 | 111.3 | T673 E674 T675 V676 P817 K818 R846 F849 | T673-I820 VanDerWaalsContact O-CD1 3.26Å; T673-I820 WeakPolarHBondContact O-CD1 3.43Å; E674-I820 VanDerWaalsContact O-CD1 3.3Å; E674-I820 WeakPolarHBondContact O-CD1 3.46Å; T675-I820 VanDerWaalsContact C-CD1 3.47Å; T675-I820 WeakPolarHBondContact O-CD1 3.49Å; V676-I820 HydrophobicContact CB-CG2 4.33Å; V676-I820 HydrophobicContact CG2-CB 4.41Å; V676-I820 HydrophobicContact CG2-CG2 3.46Å; V676-I820 VanDerWaalsContact CG2-CG2 3.46Å; P817-I820 HydrophobicContact CG-CG2 4.48Å; K818-I820 HydrophobicContact CB-CG1 4.21Å; K818-I820 WeakPolarHBondContact O-CG1 3.49Å; K818-I820 PolarHBondContact O-N 2.95Å; K818-I820 VanDerWaalsContact O-N 3.08Å; I820-R846 VanDerWaalsContact N-NH1 3.19Å; I820-F849 WeakPolarHBondContact O-CE1 3.23Å | ||
| 821 | F | 85.9 | Confident | 88.2 | Confident | 3.5 Ų | 3.5 | 51.1 Ų | 51.1 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | trans | -126.7 | 123.1 | 178.6 | -29.1 | -64.5 | 0 | 0 | 0 | 109.6 | Y616 L639 L641 R681 D819 D823 I824 I840 F849 F852 | Y616-F821 AromaticContact CD1-CZ 3.96Å; Y616-F821 HydrophobicContact CD1-CZ 4.07Å; Y616-F821 AromaticContact CD2-CZ 3.97Å; Y616-F821 HydrophobicContact CD2-CZ 3.97Å; Y616-F821 HydrophobicContact CE1-CE1 4.48Å; Y616-F821 AromaticContact CE1-CZ 3.97Å; Y616-F821 HydrophobicContact CE1-CZ 4.06Å; Y616-F821 HydrophobicContact CE2-CE1 4.34Å; Y616-F821 AromaticContact CE2-CZ 3.95Å; Y616-F821 HydrophobicContact CE2-CZ 3.95Å; Y616-F821 AromaticContact CG-CZ 3.94Å; Y616-F821 HydrophobicContact CG-CZ 4.01Å; Y616-F821 AromaticContact CZ-CZ 3.96Å; L639-F821 HydrophobicContact CD1-CB 4.2Å; L639-F821 WeakPolarHBondContact CD1-O 3.44Å; L641-F821 HydrophobicContact CB-CD2 4.5Å; L641-F821 HydrophobicContact CB-CE2 3.82Å; R681-F821 PolarHBondContact NE-O 3.27Å; R681-F821 PolarHBondContact NH2-O 3.42Å; D819-F821 HydrophobicContact CB-CE1 4.37Å; D819-F821 HydrophobicContact CB-CZ 4.39Å; F821-D823 VanDerWaalsContact C-N 3.28Å; F821-D823 PolarHBondContact O-N 2.99Å; F821-I824 HydrophobicContact CB-CD1 3.92Å; F821-I824 HydrophobicContact CB-CG1 4.07Å; F821-I824 HydrophobicContact CD1-CD1 4.31Å; F821-I824 HydrophobicContact CD1-CG1 4.34Å; F821-I824 HydrophobicContact CD2-CD1 4.14Å; F821-I824 HydrophobicContact CD2-CG1 4.01Å; F821-I824 HydrophobicContact CE1-CD1 3.55Å; F821-I824 HydrophobicContact CE1-CG1 4.38Å; F821-I824 HydrophobicContact CE2-CD1 3.38Å; F821-I824 HydrophobicContact CE2-CG1 3.78Å; F821-I824 HydrophobicContact CG-CD1 3.98Å; F821-I824 HydrophobicContact CG-CG1 4.32Å; F821-I824 HydrophobicContact CZ-CD1 3.25Å; F821-I824 HydrophobicContact CZ-CG1 4.13Å; F821-I840 HydrophobicContact CB-CG2 4.14Å; F821-I840 VanDerWaalsContact CB-CG2 3.45Å; F821-I840 HydrophobicContact CD1-CD1 4.32Å; F821-I840 HydrophobicContact CD1-CG2 3.67Å; F821-I840 VanDerWaalsContact CD1-CG2 3.46Å; F821-I840 HydrophobicContact CE1-CD1 4.05Å; F821-I840 HydrophobicContact CE1-CG2 4.21Å; F821-I840 HydrophobicContact CG-CG2 4.2Å; F821-F849 HydrophobicContact CD1-CE1 4.32Å; F821-F849 HydrophobicContact CE1-CD1 4.12Å; F821-F849 HydrophobicContact CE1-CE1 4.21Å; F821-F852 HydrophobicContact CD1-CZ 4.36Å; F821-F852 AromaticContact CE1-CE1 3.93Å; F821-F852 HydrophobicContact CE1-CE1 3.93Å; F821-F852 AromaticContact CE1-CZ 3.92Å; F821-F852 HydrophobicContact CE1-CZ 3.92Å; F821-F852 AromaticContact CE2-CE1 3.93Å; F821-F852 HydrophobicContact CE2-CE1 4.07Å; F821-F852 HydrophobicContact CE2-CZ 4.31Å; F821-F852 AromaticContact CZ-CE1 3.97Å; F821-F852 HydrophobicContact CZ-CE1 3.99Å; F821-F852 HydrophobicContact CZ-CZ 4.16Å | ||
| 822 | S | 84 | Confident | 88.2 | Confident | 20.25 Ų | 20.25 | 52.3 Ų | 52.3 | 14% | 0.142 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -71.7 | -31.9 | -179.7 | -70.3 | 0 | 0 | 0 | 0 | 111.3 | T673 R681 I841 K843 | T673-S822 PolarHBondContact O-OG 3.23Å; R681-S822 VanDerWaalsContact NH2-C 3.32Å; R681-S822 PolarHBondContact NH2-O 3.05Å; S822-I841 CarbonylContact C-O 3.56Å; S822-I841 WeakPolarHBondContact CA-O 3.14Å; S822-I841 WeakPolarHBondContact CB-O 3.32Å; S822-I841 PolarHBondContact N-O 3.19Å; S822-K843 VanDerWaalsContact CB-N 3.3Å; S822-K843 WeakPolarHBondContact OG-CA 3.41Å; S822-K843 WeakPolarHBondContact OG-CB 3.42Å; S822-K843 PolarHBondContact OG-N 3.23Å |
| 823 | D | 88.9 | Confident | 88.4 | Confident | 41.75 Ų | 41.75 | 55.9 Ų | 55.9 | 22% | 0.223 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 168.7 | 157.1 | -156.5 | 6 | 0 | 0 | 0 | 110.8 | R635 F821 I841 | R635-D823 IonicContact CZ-OD1 2.84Å; R635-D823 VanDerWaalsContact CZ-OD1 3.24Å; R635-D823 IonicContact CZ-OD2 2.75Å; R635-D823 IonicContact NE-OD1 3.06Å; R635-D823 PolarHBondContact NE-OD1 3.07Å; R635-D823 IonicContact NE-OD2 2.79Å; R635-D823 VanDerWaalsContact NH2-CG 3.33Å; R635-D823 IonicContact NH2-OD1 3.12Å; R635-D823 PolarHBondContact NH2-OD1 3.13Å; R635-D823 IonicContact NH2-OD2 3.06Å; R635-D823 PolarHBondContact NH2-OD2 3.24Å; F821-D823 VanDerWaalsContact C-N 3.28Å; F821-D823 PolarHBondContact O-N 2.99Å; D823-I841 HydrophobicContact CB-CB 4.02Å; D823-I841 HydrophobicContact CB-CD1 4.06Å; D823-I841 HydrophobicContact CB-CG1 4.45Å; D823-I841 HydrophobicContact CB-CG2 4.36Å; D823-I841 PolarHBondContact N-O 2.82Å; D823-I841 WeakPolarHBondContact O-CA 3.09Å; D823-I841 WeakPolarHBondContact O-CB 3.21Å; D823-I841 PolarHBondContact O-N 3.2Å; D823-I841 VanDerWaalsContact O-O 3.12Å |
| 824 | I | 93.2 | Very high | 88.4 | Confident | 0.25 Ų | 0.25 | 55.2 Ų | 55.2 | 0% | 0.001 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 135.8 | 169.2 | -67.7 | -84.9 | 0 | 0 | 0 | 108.2 | R635 L639 F821 I826 V838 E839 I840 F852 | R635-I824 WeakPolarHBondContact CD-O 3.29Å; R635-I824 HydrophobicContact CG-CB 4.34Å; R635-I824 HydrophobicContact CG-CG2 4.49Å; R635-I824 WeakPolarHBondContact CG-O 3.38Å; R635-I824 PolarHBondContact NE-O 3.21Å; R635-I824 VanDerWaalsContact NE-O 3.14Å; L639-I824 HydrophobicContact CB-CB 4.45Å; L639-I824 HydrophobicContact CB-CG1 4.31Å; L639-I824 HydrophobicContact CD1-CB 4.4Å; L639-I824 HydrophobicContact CD1-CG1 4.05Å; F821-I824 HydrophobicContact CB-CD1 3.92Å; F821-I824 HydrophobicContact CB-CG1 4.07Å; F821-I824 HydrophobicContact CD1-CD1 4.31Å; F821-I824 HydrophobicContact CD1-CG1 4.34Å; F821-I824 HydrophobicContact CD2-CD1 4.14Å; F821-I824 HydrophobicContact CD2-CG1 4.01Å; F821-I824 HydrophobicContact CE1-CD1 3.55Å; F821-I824 HydrophobicContact CE1-CG1 4.38Å; F821-I824 HydrophobicContact CE2-CD1 3.38Å; F821-I824 HydrophobicContact CE2-CG1 3.78Å; F821-I824 HydrophobicContact CG-CD1 3.98Å; F821-I824 HydrophobicContact CG-CG1 4.32Å; F821-I824 HydrophobicContact CZ-CD1 3.25Å; F821-I824 HydrophobicContact CZ-CG1 4.13Å; I824-I826 HydrophobicContact CG2-CD1 3.72Å; I824-I826 HydrophobicContact CG2-CG1 4.2Å; I824-V838 HydrophobicContact CD1-CG1 4.3Å; I824-V838 HydrophobicContact CG1-CG1 4.49Å; I824-V838 HydrophobicContact CG2-CG1 3.68Å; I824-E839 WeakPolarHBondContact CA-O 3.3Å; I824-I840 HydrophobicContact CD1-CB 4.25Å; I824-I840 HydrophobicContact CD1-CG1 3.95Å; I824-I840 HydrophobicContact CD1-CG2 4.14Å; I824-F852 HydrophobicContact CD1-CZ 4.13Å |
| 825 | K | 95.7 | Very high | 88.8 | Confident | 103.25 Ų | 103.25 | 55.5 Ų | 55.5 | 45% | 0.449 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.7 | 168.3 | 177 | 177.3 | 167.1 | -153.4 | 0 | 109.5 | E839 I841 | K825-E839 HydrophobicContact CB-CB 4.2Å; K825-E839 WeakPolarHBondContact CD-OE2 3.29Å; K825-E839 WeakPolarHBondContact CE-OE2 3.25Å; K825-E839 PolarHBondContact N-O 2.84Å; K825-E839 IonicContact NZ-OE2 3.34Å; K825-E839 PolarHBondContact NZ-OE2 3.12Å; K825-E839 PolarHBondContact O-N 2.94Å; K825-I841 HydrophobicContact CB-CD1 4.19Å |
| 826 | I | 96.6 | Very high | 89.3 | Confident | 8.75 Ų | 8.75 | 55.1 Ų | 55.1 | 5% | 0.045 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 139.3 | 176.5 | -58.1 | -61.2 | 0 | 0 | 0 | 108.3 | E631 I634 R635 Y638 I824 F836 T837 V838 | E631-I826 HydrophobicContact CB-CB 4.25Å; E631-I826 HydrophobicContact CB-CG2 4.25Å; E631-I826 HydrophobicContact CG-CG2 4.18Å; I634-I826 HydrophobicContact CB-CG1 4.19Å; I634-I826 HydrophobicContact CB-CG2 4.3Å; I634-I826 HydrophobicContact CD1-CG2 4.48Å; I634-I826 HydrophobicContact CG2-CD1 3.82Å; I634-I826 HydrophobicContact CG2-CG1 3.91Å; I634-I826 HydrophobicContact CG2-CG2 4.11Å; R635-I826 HydrophobicContact CB-CG1 3.81Å; Y638-I826 HydrophobicContact CD2-CD1 4.45Å; I824-I826 HydrophobicContact CG2-CD1 3.72Å; I824-I826 HydrophobicContact CG2-CG1 4.2Å; I826-F836 HydrophobicContact CD1-CD2 4.27Å; I826-F836 HydrophobicContact CD1-CE2 4.35Å; I826-F836 HydrophobicContact CG2-CB 4.26Å; I826-F836 HydrophobicContact CG2-CD2 4Å; I826-F836 HydrophobicContact CG2-CG 4.36Å; I826-T837 WeakPolarHBondContact CA-O 3.17Å; I826-V838 HydrophobicContact CD1-CB 4.23Å; I826-V838 HydrophobicContact CD1-CG1 4.05Å; I826-V838 HydrophobicContact CD1-CG2 3.77Å |
| 827 | T | 96.3 | Very high | 89.9 | Confident | 66.75 Ų | 66.75 | 53.2 Ų | 53.2 | 41% | 0.41 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 109.8 | 171.5 | -58.2 | 0 | 0 | 0 | 0 | 108.7 | E631 F836 T837 | E631-T827 WeakPolarHBondContact OE1-CA 3.34Å; T827-F836 CarbonylContact O-C 3.54Å; T827-F836 VanDerWaalsContact O-CA 3.32Å; T827-F836 WeakPolarHBondContact O-CA 3.23Å; T827-F836 WeakPolarHBondContact O-CB 3.38Å; T827-T837 PolarHBondContact N-O 2.67Å; T827-T837 PolarHBondContact O-N 3.08Å |
| 828 | K | 94.5 | Very high | 90.4 | Very high | 60.75 Ų | 60.75 | 53 Ų | 53 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 142.6 | 178.3 | -78.1 | -174.5 | 175.8 | -160.7 | 0 | 111.1 | L627 S629 E631 I634 L830 F836 | L627-K828 PolarHBondContact O-NZ 2.77Å; L627-K828 VanDerWaalsContact O-NZ 3.15Å; S629-K828 VanDerWaalsContact O-CE 3.25Å; S629-K828 WeakPolarHBondContact O-CE 3.43Å; S629-K828 PolarHBondContact O-NZ 2.87Å; E631-K828 HydrophobicContact CG-CD 4.28Å; E631-K828 HydrophobicContact CG-CG 3.97Å; E631-K828 PolarHBondContact OE1-N 3.22Å; I634-K828 VanDerWaalsContact CD1-CE 3.47Å; K828-L830 PolarHBondContact O-N 3.11Å; K828-F836 HydrophobicContact CG-CB 4.18Å |
| 829 | N | 92.5 | Very high | 91.1 | Very high | 67.75 Ų | 67.75 | 50.3 Ų | 50.3 | 36% | 0.362 | 27% | 0.269 | S | S | . | . | trans | -72.2 | 127.9 | 170.7 | -171.4 | -54.6 | 0 | 0 | 0 | 109.2 | T831 T832 V835 | N829-T831 VanDerWaalsContact C-N 3.32Å; N829-T831 PolarHBondContact O-N 3.08Å; N829-T831 WeakPolarHBondContact OD1-CA 3.42Å; N829-T831 PolarHBondContact OD1-N 2.97Å; N829-T831 PolarHBondContact OD1-OG1 3Å; N829-T832 VanDerWaalsContact CG-OG1 3.28Å; N829-T832 PolarHBondContact ND2-OG1 3.28Å; N829-T832 PolarHBondContact OD1-N 3.11Å; N829-T832 PolarHBondContact OD1-OG1 2.83Å; N829-V835 HydrophobicContact CB-CB 3.85Å; N829-V835 HydrophobicContact CB-CG1 4.02Å; N829-V835 VanDerWaalsContact CB-O 3.23Å; N829-V835 WeakPolarHBondContact CB-O 3.27Å; N829-V835 PolarHBondContact N-O 2.8Å | ||
| 830 | L | 89 | Confident | 91.7 | Very high | 177.5 Ų | 177.5 | 49.7 Ų | 49.7 | 93% | 0.929 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -76.2 | -21.8 | -178.1 | -62.8 | 176 | 0 | 0 | 0 | 113.4 | K828 | K828-L830 PolarHBondContact O-N 3.11Š|
| 831 | T | 89.1 | Confident | 91.9 | Very high | 127.5 Ų | 127.5 | 53 Ų | 53 | 78% | 0.782 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -98.1 | -27.2 | -176.5 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | N829 | N829-T831 VanDerWaalsContact C-N 3.32Å; N829-T831 PolarHBondContact O-N 3.08Å; N829-T831 WeakPolarHBondContact OD1-CA 3.42Å; N829-T831 PolarHBondContact OD1-N 2.97Å; N829-T831 PolarHBondContact OD1-OG1 3Å |
| 832 | T | 89.5 | Confident | 91.5 | Very high | 59.5 Ų | 59.5 | 54.6 Ų | 54.6 | 37% | 0.365 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -125.8 | 109.6 | -172.4 | -33.3 | 0 | 0 | 0 | 0 | 110.9 | N829 G834 V835 | N829-T832 VanDerWaalsContact CG-OG1 3.28Å; N829-T832 PolarHBondContact ND2-OG1 3.28Å; N829-T832 PolarHBondContact OD1-N 3.11Å; N829-T832 PolarHBondContact OD1-OG1 2.83Å; T832-G834 PolarHBondContact O-N 2.87Å; T832-V835 HydrophobicContact CG2-CB 4.47Å; T832-V835 HydrophobicContact CG2-CG2 3.72Å; T832-V835 PolarHBondContact O-N 3.15Å |
| 833 | F | 89.8 | Confident | 91 | Very high | 129.5 Ų | 129.5 | 56.6 Ų | 56.6 | 57% | 0.568 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 136.8 | 176.8 | -175.2 | -105 | 0 | 0 | 0 | 111.1 | V499 L627 V835 | V499-F833 HydrophobicContact CG1-CD1 4.3Å; V499-F833 HydrophobicContact CG2-CD1 3.8Å; V499-F833 HydrophobicContact CG2-CE1 4.25Å; L627-F833 HydrophobicContact CB-CE1 3.82Å; L627-F833 HydrophobicContact CB-CZ 3.79Å; L627-F833 HydrophobicContact CD1-CE1 4.44Å; F833-V835 VanDerWaalsContact C-N 3.33Å; F833-V835 PolarHBondContact O-N 2.98Å |
| 834 | G | 88.4 | Confident | 90.2 | Very high | 15.25 Ų | 15.25 | 57 Ų | 57 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -1.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | H495 T832 | H495-G834 WeakPolarHBondContact CB-O 3.35Å; H495-G834 PolarHBondContact N-O 2.89Å; T832-G834 PolarHBondContact O-N 2.87Å |
| 835 | V | 94.1 | Very high | 89.4 | Confident | 26 Ų | 26 | 57.8 Ų | 57.8 | 16% | 0.158 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 134 | 176.3 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | V492 I493 D494 N829 T832 F833 | V492-V835 HydrophobicContact CG1-CG1 3.8Å; I493-V835 VanDerWaalsContact O-CA 3.31Å; I493-V835 WeakPolarHBondContact O-CA 3.26Å; D494-V835 HydrophobicContact CB-CG2 4.17Å; D494-V835 WeakPolarHBondContact OD1-CG2 3.24Å; N829-V835 HydrophobicContact CB-CB 3.85Å; N829-V835 HydrophobicContact CB-CG1 4.02Å; N829-V835 VanDerWaalsContact CB-O 3.23Å; N829-V835 WeakPolarHBondContact CB-O 3.27Å; N829-V835 PolarHBondContact N-O 2.8Å; T832-V835 HydrophobicContact CG2-CB 4.47Å; T832-V835 HydrophobicContact CG2-CG2 3.72Å; T832-V835 PolarHBondContact O-N 3.15Å; F833-V835 VanDerWaalsContact C-N 3.33Å; F833-V835 PolarHBondContact O-N 2.98Å |
| 836 | F | 95.2 | Very high | 88.7 | Confident | 15.5 Ų | 15.5 | 56.7 Ų | 56.7 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 156.3 | 175.2 | 58.4 | -86.4 | 0 | 0 | 0 | 111.4 | I493 H495 Y625 I634 Y638 I826 T827 K828 V838 | I493-F836 HydrophobicContact CB-CD1 4.49Å; I493-F836 HydrophobicContact CB-CD2 4.24Å; I493-F836 HydrophobicContact CB-CE1 4.09Å; I493-F836 HydrophobicContact CB-CE2 3.79Å; I493-F836 HydrophobicContact CB-CZ 3.7Å; I493-F836 HydrophobicContact CG1-CD2 4.38Å; I493-F836 HydrophobicContact CG1-CE2 3.78Å; I493-F836 HydrophobicContact CG1-CZ 4.07Å; I493-F836 HydrophobicContact CG2-CE1 4.03Å; I493-F836 HydrophobicContact CG2-CE2 4.3Å; I493-F836 HydrophobicContact CG2-CZ 3.72Å; I493-F836 PolarHBondContact N-O 2.9Å; I493-F836 PolarHBondContact O-N 3.34Å; H495-F836 AromaticContact CD2-CE1 3.95Å; Y625-F836 HydrophobicContact CE2-CE1 4.24Å; Y625-F836 HydrophobicContact CE2-CZ 4.26Å; Y625-F836 WeakPolarHBondContact OH-CZ 3.25Å; I634-F836 HydrophobicContact CG2-CD2 4.22Å; I634-F836 HydrophobicContact CG2-CE2 3.71Å; I634-F836 HydrophobicContact CG2-CZ 3.92Å; Y638-F836 AromaticContact CE2-CE2 3.82Å; Y638-F836 HydrophobicContact CE2-CE2 3.82Å; Y638-F836 AromaticContact CE2-CZ 3.88Å; Y638-F836 HydrophobicContact CE2-CZ 3.88Å; Y638-F836 AromaticContact CZ-CE2 3.95Å; Y638-F836 AromaticContact CZ-CZ 3.99Å; I826-F836 HydrophobicContact CD1-CD2 4.27Å; I826-F836 HydrophobicContact CD1-CE2 4.35Å; I826-F836 HydrophobicContact CG2-CB 4.26Å; I826-F836 HydrophobicContact CG2-CD2 4Å; I826-F836 HydrophobicContact CG2-CG 4.36Å; T827-F836 CarbonylContact O-C 3.54Å; T827-F836 VanDerWaalsContact O-CA 3.32Å; T827-F836 WeakPolarHBondContact O-CA 3.23Å; T827-F836 WeakPolarHBondContact O-CB 3.38Å; K828-F836 HydrophobicContact CG-CB 4.18Å; F836-V838 HydrophobicContact CD2-CG2 3.8Å; F836-V838 HydrophobicContact CE2-CG2 3.53Å; F836-V838 VanDerWaalsContact CE2-CG2 3.46Å |
| 837 | T | 96.3 | Very high | 88.1 | Confident | 44.75 Ų | 44.75 | 58.3 Ų | 58.3 | 28% | 0.275 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 133.4 | 172.7 | -54.9 | 0 | 0 | 0 | 0 | 109.6 | K490 Q491 I826 T827 I888 | K490-T837 HydrophobicContact CB-CG2 4.17Å; Q491-T837 CarbonylContact O-C 3.54Å; Q491-T837 WeakPolarHBondContact O-CA 3.01Å; I826-T837 WeakPolarHBondContact CA-O 3.17Å; T827-T837 PolarHBondContact N-O 2.67Å; T827-T837 PolarHBondContact O-N 3.08Å; T837-I888 HydrophobicContact CG2-CD1 4.11Å |
| 838 | V | 95.7 | Very high | 87.5 | Confident | 9 Ų | 9 | 61.3 Ų | 61.3 | 6% | 0.055 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 116.9 | 170 | -172.2 | 0 | 0 | 0 | 0 | 107.8 | K490 Q491 I493 Y638 I824 I826 F836 F852 | K490-V838 WeakPolarHBondContact CA-O 3.38Å; Q491-V838 PolarHBondContact N-O 2.88Å; Q491-V838 PolarHBondContact O-N 3.14Å; I493-V838 HydrophobicContact CG1-CG2 3.71Å; Y638-V838 HydrophobicContact CD1-CG1 4.15Å; Y638-V838 HydrophobicContact CD1-CG2 4.19Å; Y638-V838 HydrophobicContact CE1-CG2 3.95Å; I824-V838 HydrophobicContact CD1-CG1 4.3Å; I824-V838 HydrophobicContact CG1-CG1 4.49Å; I824-V838 HydrophobicContact CG2-CG1 3.68Å; I826-V838 HydrophobicContact CD1-CB 4.23Å; I826-V838 HydrophobicContact CD1-CG1 4.05Å; I826-V838 HydrophobicContact CD1-CG2 3.77Å; F836-V838 HydrophobicContact CD2-CG2 3.8Å; F836-V838 HydrophobicContact CE2-CG2 3.53Å; F836-V838 VanDerWaalsContact CE2-CG2 3.46Å; V838-F852 HydrophobicContact CB-CD2 4.33Å; V838-F852 HydrophobicContact CB-CE2 4.2Å; V838-F852 HydrophobicContact CG1-CD2 4.11Å; V838-F852 HydrophobicContact CG1-CE2 3.53Å; V838-F852 VanDerWaalsContact CG1-CE2 3.48Å; V838-F852 HydrophobicContact CG1-CZ 4.2Å |
| 839 | E | 95.3 | Very high | 87.1 | Confident | 50.25 Ų | 50.25 | 58.8 Ų | 58.8 | 24% | 0.235 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 119.2 | 173.7 | 176 | 174.1 | -160.6 | 0 | 0 | 109 | S488 E489 K490 I824 K825 | S488-E839 WeakPolarHBondContact CB-OE1 3.02Å; S488-E839 WeakPolarHBondContact OG-CG 3.27Å; S488-E839 PolarHBondContact OG-OE1 3.35Å; E489-E839 CarbonylContact O-C 3.55Å; E489-E839 VanDerWaalsContact O-CA 3.31Å; E489-E839 WeakPolarHBondContact O-CA 3.28Å; K490-E839 VanDerWaalsContact CE-CD 3.45Å; K490-E839 VanDerWaalsContact CE-OE1 3.23Å; K490-E839 WeakPolarHBondContact CE-OE1 3.18Å; K490-E839 HydrophobicContact CG-CB 4.08Å; K490-E839 HydrophobicContact CG-CG 4.09Å; K490-E839 IonicContact NZ-OE1 2.55Å; I824-E839 WeakPolarHBondContact CA-O 3.3Å; K825-E839 HydrophobicContact CB-CB 4.2Å; K825-E839 WeakPolarHBondContact CD-OE2 3.29Å; K825-E839 WeakPolarHBondContact CE-OE2 3.25Å; K825-E839 PolarHBondContact N-O 2.84Å; K825-E839 IonicContact NZ-OE2 3.34Å; K825-E839 PolarHBondContact NZ-OE2 3.12Å; K825-E839 PolarHBondContact O-N 2.94Å |
| 840 | I | 92.2 | Very high | 86.9 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 120.5 | 178.5 | -51 | -178.6 | 0 | 0 | 0 | 109.1 | E489 F821 I824 T842 F849 F852 | E489-I840 HydrophobicContact CB-CB 4.08Å; E489-I840 HydrophobicContact CB-CD1 4.19Å; E489-I840 HydrophobicContact CB-CG1 4.18Å; E489-I840 HydrophobicContact CG-CD1 3.87Å; E489-I840 HydrophobicContact CG-CG1 4.2Å; E489-I840 PolarHBondContact O-N 3.24Å; F821-I840 HydrophobicContact CB-CG2 4.14Å; F821-I840 VanDerWaalsContact CB-CG2 3.45Å; F821-I840 HydrophobicContact CD1-CD1 4.32Å; F821-I840 HydrophobicContact CD1-CG2 3.67Å; F821-I840 VanDerWaalsContact CD1-CG2 3.46Å; F821-I840 HydrophobicContact CE1-CD1 4.05Å; F821-I840 HydrophobicContact CE1-CG2 4.21Å; F821-I840 HydrophobicContact CG-CG2 4.2Å; I824-I840 HydrophobicContact CD1-CB 4.25Å; I824-I840 HydrophobicContact CD1-CG1 3.95Å; I824-I840 HydrophobicContact CD1-CG2 4.14Å; I840-T842 HydrophobicContact CG2-CG2 4.06Å; I840-T842 PolarHBondContact O-N 3.14Å; I840-F849 HydrophobicContact CD1-CB 4.18Å; I840-F849 HydrophobicContact CD1-CD1 3.91Å; I840-F849 HydrophobicContact CD1-CD2 4.37Å; I840-F849 HydrophobicContact CD1-CE1 4.44Å; I840-F849 HydrophobicContact CD1-CG 3.91Å; I840-F849 HydrophobicContact CG2-CD1 4.45Å; I840-F849 HydrophobicContact CG2-CE1 4.1Å; I840-F849 HydrophobicContact CG2-CE2 4.49Å; I840-F849 HydrophobicContact CG2-CZ 4.16Å; I840-F852 HydrophobicContact CD1-CE2 3.74Å; I840-F852 HydrophobicContact CD1-CZ 3.75Å; I840-F852 HydrophobicContact CG1-CE2 3.96Å; I840-F852 HydrophobicContact CG1-CZ 4.08Å |
| 841 | I | 87.9 | Confident | 86.9 | Confident | 72.75 Ų | 72.75 | 51 Ų | 51 | 37% | 0.373 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 119.2 | 172.8 | -59.9 | 170.8 | 0 | 0 | 0 | 107.4 | S822 D823 K825 | S822-I841 CarbonylContact C-O 3.56Å; S822-I841 WeakPolarHBondContact CA-O 3.14Å; S822-I841 WeakPolarHBondContact CB-O 3.32Å; S822-I841 PolarHBondContact N-O 3.19Å; D823-I841 HydrophobicContact CB-CB 4.02Å; D823-I841 HydrophobicContact CB-CD1 4.06Å; D823-I841 HydrophobicContact CB-CG1 4.45Å; D823-I841 HydrophobicContact CB-CG2 4.36Å; D823-I841 PolarHBondContact N-O 2.82Å; D823-I841 WeakPolarHBondContact O-CA 3.09Å; D823-I841 WeakPolarHBondContact O-CB 3.21Å; D823-I841 PolarHBondContact O-N 3.2Å; D823-I841 VanDerWaalsContact O-O 3.12Å; K825-I841 HydrophobicContact CB-CD1 4.19Å |
| 842 | T | 77.1 | Confident | 87.1 | Confident | 37 Ų | 37 | 45.2 Ų | 45.2 | 23% | 0.227 | 24% | 0.238 | C | C | . | . | trans | -106.1 | 138.8 | -177.1 | 74.4 | 0 | 0 | 0 | 0 | 111.2 | I840 S844 C845 R846 F849 A891 | I840-T842 HydrophobicContact CG2-CG2 4.06Å; I840-T842 PolarHBondContact O-N 3.14Å; T842-S844 VanDerWaalsContact C-N 3.34Å; T842-C845 PolarHBondContact OG1-N 2.93Å; T842-R846 HydrophobicContact CG2-CB 4.42Å; T842-R846 PolarHBondContact OG1-N 2.91Å; T842-F849 HydrophobicContact CG2-CE1 4.29Å; T842-F849 HydrophobicContact CG2-CE2 3.58Å; T842-F849 HydrophobicContact CG2-CZ 3.49Å; T842-A891 HydrophobicContact CG2-CB 4.21Å | ||
| 843 | K | 73.4 | Confident | 87.1 | Confident | 62.25 Ų | 62.25 | 42.5 Ų | 42.5 | 27% | 0.271 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -92.4 | 128.8 | 163.2 | -137 | 177.3 | 177.5 | -166.8 | 0 | 108.8 | T672 T673 E674 D819 S822 C845 R846 W941 | T672-K843 PolarHBondContact OG1-NZ 3.49Å; T673-K843 PolarHBondContact OG1-NZ 2.84Å; E674-K843 HydrophobicContact CG-CB 4.18Å; E674-K843 HydrophobicContact CG-CD 3.88Å; E674-K843 HydrophobicContact CG-CG 4.03Å; E674-K843 WeakPolarHBondContact OE1-CD 3.38Å; E674-K843 VanDerWaalsContact OE1-CE 3.29Å; E674-K843 WeakPolarHBondContact OE1-CE 3.27Å; E674-K843 IonicContact OE1-NZ 3.21Å; E674-K843 PolarHBondContact OE1-NZ 3.2Å; D819-K843 WeakPolarHBondContact OD1-CD 3.39Å; D819-K843 WeakPolarHBondContact OD1-CE 3.22Å; D819-K843 IonicContact OD1-NZ 3.61Å; D819-K843 PolarHBondContact OD1-NZ 2.91Å; D819-K843 IonicContact OD2-NZ 3.27Å; D819-K843 PolarHBondContact OD2-NZ 3.33Å; S822-K843 VanDerWaalsContact CB-N 3.3Å; S822-K843 WeakPolarHBondContact OG-CA 3.41Å; S822-K843 WeakPolarHBondContact OG-CB 3.42Å; S822-K843 PolarHBondContact OG-N 3.23Å; K843-C845 PolarHBondContact O-N 2.97Å; K843-R846 WeakPolarHBondContact O-CG 3.47Å; K843-R846 PolarHBondContact O-N 2.9Å; K843-W941 HydrophobicContact CG-CH2 4.35Å; K843-W941 HydrophobicContact CG-CZ2 4.5Å; K843-W941 HydrophobicContact CG-CZ3 4.43Å; K843-W941 WeakPolarHBondContact O-CH2 3.49Å; K843-W941 WeakPolarHBondContact O-CZ2 3.13Å; K843-W941 WeakPolarHBondContact O-CZ3 3.21Å |
| 844 | S | 71.6 | Confident | 87.1 | Confident | 49.75 Ų | 49.75 | 36.8 Ų | 36.8 | 35% | 0.348 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 62.3 | 24.2 | -175.9 | -38.2 | 0 | 0 | 0 | 0 | 115.4 | E674 T842 R846 W941 | E674-S844 VanDerWaalsContact CA-OG 3.29Å; E674-S844 WeakPolarHBondContact CA-OG 3.33Å; E674-S844 WeakPolarHBondContact CB-OG 3.02Å; E674-S844 WeakPolarHBondContact CG-OG 3.14Å; E674-S844 PolarHBondContact O-OG 3.12Å; T842-S844 VanDerWaalsContact C-N 3.34Å; S844-R846 VanDerWaalsContact C-N 3.34Å; S844-R846 PolarHBondContact O-N 3.14Å; S844-R846 VanDerWaalsContact O-N 3.13Å; S844-W941 VanDerWaalsContact C-CH2 3.44Å; S844-W941 VanDerWaalsContact CA-CH2 3.47Å; S844-W941 VanDerWaalsContact CB-CH2 3.45Å; S844-W941 WeakPolarHBondContact OG-CH2 3.41Å |
| 845 | C | 77.9 | Confident | 87.2 | Confident | 18.75 Ų | 18.75 | 36.8 Ų | 36.8 | 13% | 0.127 | 19% | 0.194 | C | C | . | . | trans | 55.5 | 29.9 | 172.8 | -66.3 | 0 | 0 | 0 | 0 | 115.7 | T842 K843 T847 P894 W941 C942 R943 | T842-C845 PolarHBondContact OG1-N 2.93Å; K843-C845 PolarHBondContact O-N 2.97Å; C845-T847 PolarHBondContact O-N 3.19Å; C845-P894 HydrophobicContact CB-CB 4.32Å; C845-W941 HydrophobicContact CB-CH2 3.68Å; C845-W941 HydrophobicContact CB-CZ3 4Å; C845-W941 WeakPolarHBondContact SG-CZ3 3.43Å; C845-C942 HydrophobicContact CB-CB 3.89Å; C845-C942 WeakPolarHBondContact CB-SG 3.46Å; C845-C942 WeakPolarHBondContact SG-CB 3.39Å; C845-C942 CovalentContact SG-SG 1.98Å; C845-C942 PolarHBondContact SG-SG 2.95Å; C845-R943 PolarHBondContact O-NH2 3.14Å | ||
| 846 | R | 80.8 | Confident | 86.8 | Confident | 80 Ų | 80 | 36.6 Ų | 36.6 | 30% | 0.302 | 20% | 0.197 | S | C | . | . | trans | -58.4 | 145.2 | 175.7 | -68.6 | -171.7 | -179.4 | -154.4 | 3 | 110.3 | E674 D819 I820 T842 K843 S844 F849 | E674-R846 PolarHBondContact O-NH2 2.81Å; D819-R846 VanDerWaalsContact CB-NH2 3.31Å; D819-R846 VanDerWaalsContact O-CZ 3.28Å; D819-R846 PolarHBondContact O-NH1 3.44Å; D819-R846 VanDerWaalsContact OD1-CD 3.25Å; D819-R846 WeakPolarHBondContact OD1-CD 3.44Å; D819-R846 IonicContact OD1-CZ 2.78Å; D819-R846 IonicContact OD1-NE 3.23Å; D819-R846 IonicContact OD1-NH1 2.91Å; D819-R846 PolarHBondContact OD1-NH1 2.78Å; D819-R846 IonicContact OD2-CZ 2.93Å; D819-R846 IonicContact OD2-NH2 3.86Å; D819-R846 PolarHBondContact OD2-NH2 2.66Å; I820-R846 VanDerWaalsContact N-NH1 3.19Å; T842-R846 HydrophobicContact CG2-CB 4.42Å; T842-R846 PolarHBondContact OG1-N 2.91Å; K843-R846 WeakPolarHBondContact O-CG 3.47Å; K843-R846 PolarHBondContact O-N 2.9Å; S844-R846 VanDerWaalsContact C-N 3.34Å; S844-R846 PolarHBondContact O-N 3.14Å; S844-R846 VanDerWaalsContact O-N 3.13Å; R846-F849 VanDerWaalsContact C-CZ 3.47Å; R846-F849 HydrophobicContact CB-CE1 4.14Å; R846-F849 HydrophobicContact CB-CE2 4.45Å; R846-F849 HydrophobicContact CB-CZ 3.77Å; R846-F849 VanDerWaalsContact O-CE2 3.28Å; R846-F849 WeakPolarHBondContact O-CE2 3.34Å; R846-F849 WeakPolarHBondContact O-CZ 3.39Å | ||
| 847 | T | 83.7 | Confident | 86.4 | Confident | 41.5 Ų | 41.5 | 36.4 Ų | 36.4 | 26% | 0.255 | 20% | 0.197 | S | C | . | . | trans | -137.3 | -179.8 | -179.8 | 55.2 | 0 | 0 | 0 | 0 | 109.6 | C845 F849 A891 S892 | C845-T847 PolarHBondContact O-N 3.19Å; T847-F849 VanDerWaalsContact C-N 3.29Å; T847-F849 PolarHBondContact O-N 2.97Å; T847-A891 HydrophobicContact CG2-CB 4.13Å; T847-A891 WeakPolarHBondContact CG2-O 3.37Å; T847-S892 WeakPolarHBondContact CG2-O 3.42Å | ||
| 848 | N | 83.2 | Confident | 85.8 | Confident | 129.5 Ų | 129.5 | 40.4 Ų | 40.4 | 69% | 0.693 | 22% | 0.216 | S | C | * | . | trans | 59.4 | 35.8 | -179 | -61 | -37.8 | 0 | 0 | 0 | 113.6 | ||||
| 849 | F | 87 | Confident | 85.1 | Confident | 7.75 Ų | 7.75 | 42.5 Ų | 42.5 | 3% | 0.034 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -54.4 | 144.2 | 172.4 | -63.8 | -77.1 | 0 | 0 | 0 | 110.6 | E489 Y616 D819 I820 F821 I840 T842 R846 T847 R887 A891 | E489-F849 HydrophobicContact CB-CD2 3.73Å; E489-F849 HydrophobicContact CB-CE2 4.34Å; E489-F849 HydrophobicContact CB-CG 4.4Å; E489-F849 HydrophobicContact CG-CB 4.02Å; E489-F849 HydrophobicContact CG-CD2 4.04Å; E489-F849 HydrophobicContact CG-CG 4.28Å; Y616-F849 VanDerWaalsContact OH-CA 3.3Å; Y616-F849 WeakPolarHBondContact OH-CA 3.47Å; Y616-F849 WeakPolarHBondContact OH-CD1 3.33Å; D819-F849 VanDerWaalsContact OD2-CD1 3.31Å; D819-F849 WeakPolarHBondContact OD2-CD1 3.36Å; D819-F849 VanDerWaalsContact OD2-CE1 3.28Å; D819-F849 WeakPolarHBondContact OD2-CE1 3.38Å; I820-F849 WeakPolarHBondContact O-CE1 3.23Å; F821-F849 HydrophobicContact CD1-CE1 4.32Å; F821-F849 HydrophobicContact CE1-CD1 4.12Å; F821-F849 HydrophobicContact CE1-CE1 4.21Å; I840-F849 HydrophobicContact CD1-CB 4.18Å; I840-F849 HydrophobicContact CD1-CD1 3.91Å; I840-F849 HydrophobicContact CD1-CD2 4.37Å; I840-F849 HydrophobicContact CD1-CE1 4.44Å; I840-F849 HydrophobicContact CD1-CG 3.91Å; I840-F849 HydrophobicContact CG2-CD1 4.45Å; I840-F849 HydrophobicContact CG2-CE1 4.1Å; I840-F849 HydrophobicContact CG2-CE2 4.49Å; I840-F849 HydrophobicContact CG2-CZ 4.16Å; T842-F849 HydrophobicContact CG2-CE1 4.29Å; T842-F849 HydrophobicContact CG2-CE2 3.58Å; T842-F849 HydrophobicContact CG2-CZ 3.49Å; R846-F849 VanDerWaalsContact C-CZ 3.47Å; R846-F849 HydrophobicContact CB-CE1 4.14Å; R846-F849 HydrophobicContact CB-CE2 4.45Å; R846-F849 HydrophobicContact CB-CZ 3.77Å; R846-F849 VanDerWaalsContact O-CE2 3.28Å; R846-F849 WeakPolarHBondContact O-CE2 3.34Å; R846-F849 WeakPolarHBondContact O-CZ 3.39Å; T847-F849 VanDerWaalsContact C-N 3.29Å; T847-F849 PolarHBondContact O-N 2.97Å; F849-R887 PolarHBondContact O-NH2 2.99Å; F849-A891 HydrophobicContact CD2-CB 4.06Å; F849-A891 HydrophobicContact CE2-CB 3.81Å |
| 850 | E | 87.2 | Confident | 84.2 | Confident | 71.5 Ų | 71.5 | 43 Ų | 43 | 33% | 0.334 | 23% | 0.234 | S | C | . | . | P | Polyproline II helix | trans | -78.9 | 164.7 | 169.1 | -67.1 | 179.8 | -178.6 | 0 | 0 | 109.8 | Q491 Y616 G617 K818 | Q491-E850 PolarHBondContact NE2-O 2.94Å; Y616-E850 HydrophobicContact CD2-CB 4.47Å; Y616-E850 HydrophobicContact CE2-CB 3.96Å; Y616-E850 VanDerWaalsContact CE2-O 3.29Å; Y616-E850 WeakPolarHBondContact CE2-O 3.43Å; Y616-E850 PolarHBondContact OH-N 3.09Å; G617-E850 WeakPolarHBondContact CA-OE2 3.31Å; G617-E850 PolarHBondContact N-OE2 2.93Å; K818-E850 VanDerWaalsContact CE-OE1 3.29Å; K818-E850 WeakPolarHBondContact CE-OE1 3.25Å; K818-E850 IonicContact NZ-OE1 3.29Å; K818-E850 PolarHBondContact NZ-OE1 2.96Å; K818-E850 IonicContact NZ-OE2 3.51Å; K818-E850 PolarHBondContact NZ-OE2 3.09Å |
| 851 | L | 90.5 | Very high | 83 | Confident | 11.5 Ų | 11.5 | 50.4 Ų | 50.4 | 6% | 0.06 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 140 | 171.1 | -62.4 | 177.5 | 0 | 0 | 0 | 109.3 | Q491 G853 M859 N863 V870 V885 R887 | Q491-L851 HydrophobicContact CG-CD2 4.16Å; L851-G853 PolarHBondContact O-N 2.87Å; L851-M859 HydrophobicContact CB-CE 3.66Å; L851-M859 HydrophobicContact CD1-CE 4.44Å; L851-N863 HydrophobicContact CD1-CB 4.03Å; L851-N863 WeakPolarHBondContact CD1-O 3.48Å; L851-N863 HydrophobicContact CG-CB 4.38Å; L851-N863 WeakPolarHBondContact CG-O 3.41Å; L851-V870 HydrophobicContact CD1-CB 4.12Å; L851-V870 HydrophobicContact CD1-CG2 3.54Å; L851-V870 VanDerWaalsContact CD1-CG2 3.44Å; L851-V885 HydrophobicContact CB-CG1 3.94Å; L851-V885 HydrophobicContact CB-CG2 4.13Å; L851-V885 HydrophobicContact CD1-CG1 4.05Å; L851-V885 HydrophobicContact CD2-CG1 4.35Å; L851-V885 HydrophobicContact CD2-CG2 4.24Å; L851-V885 HydrophobicContact CG-CG1 4.36Å; L851-R887 HydrophobicContact CD2-CB 3.87Å |
| 852 | F | 91.9 | Very high | 81.6 | Confident | 5.5 Ų | 5.5 | 52.6 Ų | 52.6 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 135.4 | 169.5 | -68.4 | -70.1 | 0 | 0 | 0 | 110.2 | Q491 I493 S615 Y616 Y638 L641 F821 I824 V838 I840 | Q491-F852 VanDerWaalsContact OE1-CD2 3.26Å; I493-F852 HydrophobicContact CD1-CB 4.14Å; S615-F852 WeakPolarHBondContact O-CA 3.39Å; Y616-F852 AromaticContact CD2-CD1 3.69Å; Y616-F852 HydrophobicContact CD2-CD1 3.69Å; Y616-F852 AromaticContact CD2-CE1 3.65Å; Y616-F852 HydrophobicContact CD2-CE1 3.65Å; Y616-F852 HydrophobicContact CD2-CG 4.45Å; Y616-F852 HydrophobicContact CD2-CZ 4.39Å; Y616-F852 HydrophobicContact CE2-CE1 4.35Å; Y616-F852 HydrophobicContact CG-CD1 4.38Å; Y616-F852 HydrophobicContact CG-CE1 4.32Å; Y638-F852 HydrophobicContact CD1-CB 4.38Å; Y638-F852 AromaticContact CD1-CD1 3.59Å; Y638-F852 HydrophobicContact CD1-CD1 3.59Å; Y638-F852 AromaticContact CD1-CD2 3.97Å; Y638-F852 HydrophobicContact CD1-CD2 3.99Å; Y638-F852 AromaticContact CD1-CE1 3.76Å; Y638-F852 HydrophobicContact CD1-CE1 3.76Å; Y638-F852 HydrophobicContact CD1-CE2 4.14Å; Y638-F852 AromaticContact CD1-CG 3.72Å; Y638-F852 HydrophobicContact CD1-CG 3.72Å; Y638-F852 AromaticContact CD1-CZ 4Å; Y638-F852 HydrophobicContact CD1-CZ 4.04Å; Y638-F852 HydrophobicContact CE1-CB 3.71Å; Y638-F852 AromaticContact CE1-CD1 3.8Å; Y638-F852 HydrophobicContact CE1-CD1 3.8Å; Y638-F852 AromaticContact CE1-CD2 3.92Å; Y638-F852 HydrophobicContact CE1-CD2 3.92Å; Y638-F852 HydrophobicContact CE1-CE1 4.41Å; Y638-F852 HydrophobicContact CE1-CE2 4.47Å; Y638-F852 AromaticContact CE1-CG 3.53Å; Y638-F852 HydrophobicContact CE1-CG 3.53Å; L641-F852 HydrophobicContact CD1-CD1 4.02Å; L641-F852 HydrophobicContact CD1-CE1 4.14Å; F821-F852 HydrophobicContact CD1-CZ 4.36Å; F821-F852 AromaticContact CE1-CE1 3.93Å; F821-F852 HydrophobicContact CE1-CE1 3.93Å; F821-F852 AromaticContact CE1-CZ 3.92Å; F821-F852 HydrophobicContact CE1-CZ 3.92Å; F821-F852 AromaticContact CE2-CE1 3.93Å; F821-F852 HydrophobicContact CE2-CE1 4.07Å; F821-F852 HydrophobicContact CE2-CZ 4.31Å; F821-F852 AromaticContact CZ-CE1 3.97Å; F821-F852 HydrophobicContact CZ-CE1 3.99Å; F821-F852 HydrophobicContact CZ-CZ 4.16Å; I824-F852 HydrophobicContact CD1-CZ 4.13Å; V838-F852 HydrophobicContact CB-CD2 4.33Å; V838-F852 HydrophobicContact CB-CE2 4.2Å; V838-F852 HydrophobicContact CG1-CD2 4.11Å; V838-F852 HydrophobicContact CG1-CE2 3.53Å; V838-F852 VanDerWaalsContact CG1-CE2 3.48Å; V838-F852 HydrophobicContact CG1-CZ 4.2Å; I840-F852 HydrophobicContact CD1-CE2 3.74Å; I840-F852 HydrophobicContact CD1-CZ 3.75Å; I840-F852 HydrophobicContact CG1-CE2 3.96Å; I840-F852 HydrophobicContact CG1-CZ 4.08Å |
| 853 | G | 90.4 | Very high | 80.8 | Confident | 2 Ų | 2 | 52.7 Ų | 52.7 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | -170.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S615 L851 M859 | S615-G853 PolarHBondContact N-O 2.85Å; S615-G853 PolarHBondContact O-N 3.05Å; S615-G853 VanDerWaalsContact OG-CA 3.29Å; S615-G853 WeakPolarHBondContact OG-CA 3.26Å; S615-G853 PolarHBondContact OG-O 3.01Å; L851-G853 PolarHBondContact O-N 2.87Å; G853-M859 WeakPolarHBondContact CA-SD 3.4Å |
| 854 | L | 90.3 | Very high | 80.5 | Confident | 9.75 Ų | 9.75 | 56.5 Ų | 56.5 | 5% | 0.051 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 145.6 | 167 | -66.5 | 176.5 | 0 | 0 | 0 | 109.4 | F608 I612 S615 G856 V857 L872 W877 | F608-L854 HydrophobicContact CE1-CD1 4.19Å; F608-L854 HydrophobicContact CZ-CD1 3.86Å; I612-L854 HydrophobicContact CG2-CD2 3.55Å; S615-L854 VanDerWaalsContact CB-C 3.49Å; S615-L854 WeakPolarHBondContact CB-O 3.44Å; S615-L854 PolarHBondContact OG-N 2.86Å; S615-L854 VanDerWaalsContact OG-N 3.13Å; S615-L854 PolarHBondContact OG-O 3.01Å; L854-G856 PolarHBondContact O-N 3.03Å; L854-V857 HydrophobicContact CB-CB 4.15Å; L854-V857 HydrophobicContact CB-CG2 3.91Å; L854-V857 PolarHBondContact O-N 3.04Å; L854-L872 HydrophobicContact CD1-CB 4.45Å; L854-L872 HydrophobicContact CD1-CD1 4.41Å; L854-L872 HydrophobicContact CG-CD1 4.24Å; L854-W877 HydrophobicContact CD1-CH2 4.02Å |
| 855 | T | 89.2 | Confident | 80.9 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 10% | 0.098 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 135 | 177.3 | -59.4 | 0 | 0 | 0 | 0 | 110 | F578 T606 R613 P614 Y620 V857 | F578-T855 HydrophobicContact CB-CG2 4.46Å; F578-T855 HydrophobicContact CD1-CG2 4.18Å; F578-T855 WeakPolarHBondContact O-CG2 3.34Å; T606-T855 WeakPolarHBondContact CB-O 3.45Å; T606-T855 VanDerWaalsContact CG2-O 3.29Å; T606-T855 WeakPolarHBondContact CG2-O 3.34Å; T606-T855 PolarHBondContact OG1-O 3.18Å; R613-T855 WeakPolarHBondContact CD-OG1 3.22Å; R613-T855 VanDerWaalsContact CG-OG1 3.25Å; R613-T855 WeakPolarHBondContact CG-OG1 3.37Å; R613-T855 WeakPolarHBondContact O-CB 3.49Å; R613-T855 PolarHBondContact O-N 3.31Å; R613-T855 PolarHBondContact O-OG1 3.13Å; P614-T855 PolarHBondContact O-OG1 2.88Å; Y620-T855 VanDerWaalsContact CB-OG1 3.25Å; Y620-T855 WeakPolarHBondContact CB-OG1 3.43Å; Y620-T855 HydrophobicContact CD1-CG2 3.97Å; Y620-T855 HydrophobicContact CD2-CG2 3.62Å; Y620-T855 HydrophobicContact CE1-CG2 4.04Å; Y620-T855 HydrophobicContact CE2-CG2 4Å; Y620-T855 HydrophobicContact CG-CG2 4.02Å; Y620-T855 VanDerWaalsContact CG-CG2 3.41Å; T855-V857 VanDerWaalsContact C-N 3.29Å; T855-V857 PolarHBondContact O-N 2.74Å |
| 856 | G | 86.2 | Confident | 81.3 | Confident | 21.5 Ų | 21.5 | 60.6 Ų | 60.6 | 22% | 0.222 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.4 | 13.5 | 180 | 0 | 0 | 0 | 0 | 0 | 115.9 | F578 D580 T606 L854 | F578-G856 WeakPolarHBondContact O-CA 2.98Å; D580-G856 VanDerWaalsContact O-CA 3.26Å; D580-G856 WeakPolarHBondContact O-CA 3.46Å; T606-G856 VanDerWaalsContact OG1-CA 3.29Å; T606-G856 WeakPolarHBondContact OG1-CA 3.37Å; T606-G856 PolarHBondContact OG1-O 2.97Å; L854-G856 PolarHBondContact O-N 3.03Å |
| 857 | V | 87.7 | Confident | 81.8 | Confident | 10.75 Ų | 10.75 | 62.6 Ų | 62.6 | 7% | 0.065 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -114.5 | 124 | 173.6 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | L854 T855 M859 L872 D874 W877 | L854-V857 HydrophobicContact CB-CB 4.15Å; L854-V857 HydrophobicContact CB-CG2 3.91Å; L854-V857 PolarHBondContact O-N 3.04Å; T855-V857 VanDerWaalsContact C-N 3.29Å; T855-V857 PolarHBondContact O-N 2.74Å; V857-M859 PolarHBondContact O-N 2.59Å; V857-L872 HydrophobicContact CG1-CB 4.37Å; V857-D874 HydrophobicContact CG2-CB 4.39Å; V857-W877 HydrophobicContact CG2-CH2 3.81Å; V857-W877 HydrophobicContact CG2-CZ2 3.68Å |
| 858 | N | 82.5 | Confident | 82.1 | Confident | 129 Ų | 129 | 64.7 Ų | 64.7 | 69% | 0.69 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 128.6 | -179.1 | -74.6 | -30.9 | 0 | 0 | 0 | 111.3 | P860 | N858-P860 WeakPolarHBondContact O-CD 3.41Š|
| 859 | M | 80.8 | Confident | 82.4 | Confident | 53.5 Ų | 53.5 | 61.2 Ų | 61.2 | 26% | 0.264 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 127.3 | 172.8 | -74.5 | -63.5 | -61.4 | 0 | 0 | 109.7 | L851 G853 V857 N861 V870 L872 V885 | L851-M859 HydrophobicContact CB-CE 3.66Å; L851-M859 HydrophobicContact CD1-CE 4.44Å; G853-M859 WeakPolarHBondContact CA-SD 3.4Å; V857-M859 PolarHBondContact O-N 2.59Å; M859-N861 PolarHBondContact O-N 2.86Å; M859-V870 HydrophobicContact CE-CG1 4.4Å; M859-L872 HydrophobicContact CE-CD2 4.08Å; M859-L872 HydrophobicContact SD-CD1 4.25Å; M859-L872 HydrophobicContact SD-CD2 3.31Å; M859-L872 WeakPolarHBondContact SD-CD2 3.33Å; M859-L872 HydrophobicContact SD-CG 4.4Å; M859-V885 HydrophobicContact CE-CG1 4.41Å |
| 860 | P | 76.2 | Confident | 82.5 | Confident | 60.25 Ų | 60.25 | 61.3 Ų | 61.3 | 39% | 0.391 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -61 | 137.8 | 172 | -22.4 | 33.8 | 0 | 0 | 0 | 111.5 | N858 D862 N863 V870 | N858-P860 WeakPolarHBondContact O-CD 3.41Å; P860-D862 VanDerWaalsContact C-N 3.29Å; P860-D862 PolarHBondContact O-N 3Å; P860-N863 PolarHBondContact O-ND2 2.78Å; P860-V870 HydrophobicContact CB-CG1 4.3Å; P860-V870 HydrophobicContact CG-CG1 3.82Å |
| 861 | N | 67.5 | Low | 82.6 | Confident | 167 Ų | 167 | 62.2 Ų | 62.2 | 89% | 0.893 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -60.5 | -26.3 | -176.3 | -74.7 | -12.9 | 0 | 0 | 0 | 114.2 | M859 N863 | M859-N861 PolarHBondContact O-N 2.86Å; N861-N863 PolarHBondContact O-N 3.03Å; N861-N863 VanDerWaalsContact O-N 3.11Å; N861-N863 PolarHBondContact O-OD1 2.94Å |
| 862 | D | 58.3 | Low | 82.5 | Confident | 119 Ų | 119 | 61.7 Ų | 61.7 | 64% | 0.636 | 34% | 0.338 | S | S | * | . | trans | -98.5 | 90.7 | -171.4 | -138.5 | -1 | 0 | 0 | 0 | 111.6 | P860 Q868 | P860-D862 VanDerWaalsContact C-N 3.29Å; P860-D862 PolarHBondContact O-N 3Å; D862-Q868 PolarHBondContact OD2-NE2 3.23Å; D862-Q868 VanDerWaalsContact OD2-NE2 3.16Å | ||
| 863 | N | 61.6 | Low | 82.3 | Confident | 40.5 Ų | 40.5 | 65.5 Ų | 65.5 | 22% | 0.217 | 35% | 0.352 | C | S | . | . | trans | -146.4 | 43.9 | -175.1 | 1.6 | -24.7 | 0 | 0 | 0 | 114.9 | L851 P860 N861 T865 Q868 V870 R887 | L851-N863 HydrophobicContact CD1-CB 4.03Å; L851-N863 WeakPolarHBondContact CD1-O 3.48Å; L851-N863 HydrophobicContact CG-CB 4.38Å; L851-N863 WeakPolarHBondContact CG-O 3.41Å; P860-N863 PolarHBondContact O-ND2 2.78Å; N861-N863 PolarHBondContact O-N 3.03Å; N861-N863 VanDerWaalsContact O-N 3.11Å; N861-N863 PolarHBondContact O-OD1 2.94Å; N863-T865 VanDerWaalsContact C-N 3.27Å; N863-Q868 HydrophobicContact CB-CG 4.49Å; N863-Q868 PolarHBondContact ND2-NE2 3.05Å; N863-Q868 PolarHBondContact OD1-NE2 3Å; N863-Q868 PolarHBondContact OD1-OE1 2.82Å; N863-V870 HydrophobicContact CB-CG2 3.84Å; N863-V870 VanDerWaalsContact CB-CG2 3.47Å; N863-V870 VanDerWaalsContact CG-CG2 3.41Å; N863-V870 WeakPolarHBondContact OD1-CG2 3.5Å; N863-R887 PolarHBondContact O-NH2 2.79Å | ||
| 864 | K | 65.8 | Low | 82.1 | Confident | 141.25 Ų | 141.25 | 66.3 Ų | 66.3 | 61% | 0.614 | 36% | 0.356 | S | S | * | . | trans | -99.9 | -7.5 | 176.1 | -67.5 | -173.5 | 179.8 | -179.2 | 0 | 114.8 | R887 | K864-R887 PolarHBondContact O-NH1 2.93Š| ||
| 865 | T | 80.7 | Confident | 81.9 | Confident | 66.5 Ų | 66.5 | 74.2 Ų | 74.2 | 41% | 0.408 | 39% | 0.392 | S | S | . | . | trans | -71.7 | 137.2 | -175.1 | 32 | 0 | 0 | 0 | 0 | 112.9 | N863 Q868 | N863-T865 VanDerWaalsContact C-N 3.27Å; T865-Q868 VanDerWaalsContact OG1-CD 3.24Å; T865-Q868 PolarHBondContact OG1-OE1 3.15Å | ||
| 866 | I | 87 | Confident | 81.7 | Confident | 88 Ų | 88 | 78.1 Ų | 78.1 | 45% | 0.451 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | 142.9 | 176.8 | -60.7 | 173 | 0 | 0 | 0 | 109.3 | Q868 R887 I888 | I866-Q868 PolarHBondContact O-N 3.05Å; I866-Q868 VanDerWaalsContact O-N 3.13Å; I866-R887 CarbonylContact C-O 3.48Å; I866-R887 WeakPolarHBondContact CA-O 3.35Å; I866-R887 HydrophobicContact CG1-CG 4.18Å; I866-I888 WeakPolarHBondContact CG2-O 3.44Å |
| 867 | N | 90.5 | Very high | 81.8 | Confident | 122.5 Ų | 122.5 | 77.8 Ų | 77.8 | 66% | 0.655 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 14.7 | 179.8 | -60.3 | -32 | 0 | 0 | 0 | 115.6 | R887 | N867-R887 PolarHBondContact N-O 3.25Š|
| 868 | Q | 89.5 | Confident | 81.7 | Confident | 85 Ų | 85 | 80.6 Ų | 80.6 | 40% | 0.397 | 42% | 0.416 | S | S | . | . | P | Polyproline II helix | trans | -98 | 122.8 | 170.3 | -174.2 | 171.5 | -13.8 | 0 | 0 | 109.8 | D862 N863 T865 I866 V870 | D862-Q868 PolarHBondContact OD2-NE2 3.23Å; D862-Q868 VanDerWaalsContact OD2-NE2 3.16Å; N863-Q868 HydrophobicContact CB-CG 4.49Å; N863-Q868 PolarHBondContact ND2-NE2 3.05Å; N863-Q868 PolarHBondContact OD1-NE2 3Å; N863-Q868 PolarHBondContact OD1-OE1 2.82Å; T865-Q868 VanDerWaalsContact OG1-CD 3.24Å; T865-Q868 PolarHBondContact OG1-OE1 3.15Å; I866-Q868 PolarHBondContact O-N 3.05Å; I866-Q868 VanDerWaalsContact O-N 3.13Å; Q868-V870 PolarHBondContact O-N 2.93Å |
| 869 | A | 88.9 | Confident | 81.7 | Confident | 57 Ų | 57 | 79.4 Ų | 79.4 | 47% | 0.471 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 122.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | T886 | A869-T886 VanDerWaalsContact CA-OG1 3.29Å; A869-T886 WeakPolarHBondContact CA-OG1 3.28Å; A869-T886 WeakPolarHBondContact CB-OG1 3.35Å |
| 870 | V | 90.1 | Very high | 82 | Confident | 8.5 Ų | 8.5 | 82.3 Ų | 82.3 | 5% | 0.052 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 118.9 | 174.7 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | L851 M859 P860 N863 Q868 L872 S884 V885 | L851-V870 HydrophobicContact CD1-CB 4.12Å; L851-V870 HydrophobicContact CD1-CG2 3.54Å; L851-V870 VanDerWaalsContact CD1-CG2 3.44Å; M859-V870 HydrophobicContact CE-CG1 4.4Å; P860-V870 HydrophobicContact CB-CG1 4.3Å; P860-V870 HydrophobicContact CG-CG1 3.82Å; N863-V870 HydrophobicContact CB-CG2 3.84Å; N863-V870 VanDerWaalsContact CB-CG2 3.47Å; N863-V870 VanDerWaalsContact CG-CG2 3.41Å; N863-V870 WeakPolarHBondContact OD1-CG2 3.5Å; Q868-V870 PolarHBondContact O-N 2.93Å; V870-L872 HydrophobicContact CG1-CD2 4.39Å; V870-L872 PolarHBondContact O-N 3.43Å; V870-S884 CarbonylContact O-C 3.55Å; V870-S884 VanDerWaalsContact O-CA 3.25Å; V870-S884 WeakPolarHBondContact O-CA 3.36Å; V870-S884 VanDerWaalsContact O-CB 3.25Å; V870-S884 WeakPolarHBondContact O-CB 3.41Å; V870-V885 HydrophobicContact CB-CG1 4.05Å; V870-V885 PolarHBondContact N-O 2.93Å; V870-V885 PolarHBondContact O-N 2.92Å |
| 871 | I | 89.2 | Confident | 82.5 | Confident | 90.5 Ų | 90.5 | 80.7 Ų | 80.7 | 46% | 0.464 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 125.4 | 180 | -60.4 | 173.3 | 0 | 0 | 0 | 109.1 | R873 Q882 S883 | I871-R873 HydrophobicContact CG2-CB 4.15Å; I871-Q882 HydrophobicContact CG2-CB 3.99Å; I871-Q882 HydrophobicContact CG2-CG 4.41Å; I871-Q882 VanDerWaalsContact CG2-OE1 3.3Å; I871-S883 CarbonylContact C-O 3.43Å |
| 872 | L | 89.2 | Confident | 83.5 | Confident | 2.5 Ų | 2.5 | 76.6 Ų | 76.6 | 1% | 0.013 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 104.2 | 174.4 | -53.5 | -178.4 | 0 | 0 | 0 | 108.1 | L854 V857 M859 V870 W877 S883 V885 | L854-L872 HydrophobicContact CD1-CB 4.45Å; L854-L872 HydrophobicContact CD1-CD1 4.41Å; L854-L872 HydrophobicContact CG-CD1 4.24Å; V857-L872 HydrophobicContact CG1-CB 4.37Å; M859-L872 HydrophobicContact CE-CD2 4.08Å; M859-L872 HydrophobicContact SD-CD1 4.25Å; M859-L872 HydrophobicContact SD-CD2 3.31Å; M859-L872 WeakPolarHBondContact SD-CD2 3.33Å; M859-L872 HydrophobicContact SD-CG 4.4Å; V870-L872 HydrophobicContact CG1-CD2 4.39Å; V870-L872 PolarHBondContact O-N 3.43Å; L872-W877 VanDerWaalsContact O-CZ3 3.26Å; L872-W877 WeakPolarHBondContact O-CZ3 3.5Å; L872-S883 PolarHBondContact N-O 2.94Å; L872-S883 PolarHBondContact O-N 2.87Å; L872-V885 HydrophobicContact CD1-CB 4.37Å; L872-V885 HydrophobicContact CD1-CG1 4.02Å; L872-V885 HydrophobicContact CD2-CG1 4.18Å; L872-V885 HydrophobicContact CG-CG1 4.17Å |
| 873 | R | 87.3 | Confident | 85 | Confident | 84 Ų | 84 | 71.5 Ų | 71.5 | 32% | 0.317 | 38% | 0.377 | S | S | . | . | trans | -150.1 | 136.6 | -178.7 | 175.3 | 172.6 | 176.5 | -76 | -7.9 | 110.5 | I871 E875 W877 P878 V881 Q882 | I871-R873 HydrophobicContact CG2-CB 4.15Å; R873-E875 PolarHBondContact NH2-O 2.99Å; R873-W877 HydrophobicContact CB-CE3 4.22Å; R873-W877 HydrophobicContact CB-CZ3 4.3Å; R873-W877 HydrophobicContact CG-CB 4.36Å; R873-W877 HydrophobicContact CG-CD2 4.4Å; R873-W877 HydrophobicContact CG-CE3 4.05Å; R873-W877 HydrophobicContact CG-CZ3 4.46Å; R873-W877 PolarHBondContact NH2-O 3.13Å; R873-P878 PolarHBondContact NE-O 2.89Å; R873-V881 WeakPolarHBondContact CD-O 3.26Å; R873-Q882 HydrophobicContact CB-CB 4.22Å | ||
| 874 | D | 86.8 | Confident | 86.5 | Confident | 19.25 Ų | 19.25 | 71 Ų | 71 | 10% | 0.103 | 38% | 0.377 | C | S | . | . | trans | -83.4 | 138.4 | 163.5 | -167.6 | -64.1 | 0 | 0 | 0 | 109.6 | M605 V857 R876 W877 | M605-D874 HydrophobicContact CG-CB 4.46Å; V857-D874 HydrophobicContact CG2-CB 4.39Å; D874-R876 VanDerWaalsContact CG-NE 3.32Å; D874-R876 PolarHBondContact O-N 2.96Å; D874-R876 VanDerWaalsContact O-N 3.09Å; D874-R876 WeakPolarHBondContact OD1-CB 3.3Å; D874-R876 WeakPolarHBondContact OD1-CG 3.36Å; D874-R876 IonicContact OD1-CZ 2.99Å; D874-R876 PolarHBondContact OD1-N 3Å; D874-R876 IonicContact OD1-NE 3.44Å; D874-R876 PolarHBondContact OD1-NE 3.08Å; D874-R876 IonicContact OD1-NH2 3.01Å; D874-R876 IonicContact OD2-CZ 3.56Å; D874-R876 IonicContact OD2-NE 3.12Å; D874-R876 PolarHBondContact OD2-NE 3.07Å; D874-R876 IonicContact OD2-NH2 3.1Å; D874-R876 PolarHBondContact OD2-NH2 3.2Å; D874-W877 HydrophobicContact CB-CD2 4.04Å; D874-W877 HydrophobicContact CB-CG 3.98Å; D874-W877 HydrophobicContact CB-CZ2 4.24Å; D874-W877 VanDerWaalsContact CB-NE1 3.28Å; D874-W877 WeakPolarHBondContact O-CB 3.31Å; D874-W877 PolarHBondContact O-N 3.09Å; D874-W877 VanDerWaalsContact O-N 3.1Å | ||
| 875 | E | 84.4 | Confident | 87.7 | Confident | 175.25 Ų | 175.25 | 64.7 Ų | 64.7 | 82% | 0.819 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -29.2 | 179.3 | -65.9 | -168.2 | 165 | 0 | 0 | 113.1 | R873 W877 | R873-E875 PolarHBondContact NH2-O 2.99Å; E875-W877 VanDerWaalsContact C-N 3.31Å; E875-W877 PolarHBondContact O-N 3.18Å |
| 876 | R | 86.4 | Confident | 88.3 | Confident | 99.25 Ų | 99.25 | 63.1 Ų | 63.1 | 38% | 0.375 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -10.5 | -180 | -59.8 | 169.3 | -75.1 | -173.3 | -1.1 | 113.6 | Q603 G604 M605 D874 | Q603-R876 PolarHBondContact O-NH1 2.9Å; G604-R876 PolarHBondContact O-NH1 2.89Å; G604-R876 PolarHBondContact O-NH2 3.22Å; M605-R876 HydrophobicContact CG-CB 4.44Å; M605-R876 HydrophobicContact SD-CB 3.39Å; M605-R876 WeakPolarHBondContact SD-CB 3.3Å; M605-R876 HydrophobicContact SD-CG 4.3Å; D874-R876 VanDerWaalsContact CG-NE 3.32Å; D874-R876 PolarHBondContact O-N 2.96Å; D874-R876 VanDerWaalsContact O-N 3.09Å; D874-R876 WeakPolarHBondContact OD1-CB 3.3Å; D874-R876 WeakPolarHBondContact OD1-CG 3.36Å; D874-R876 IonicContact OD1-CZ 2.99Å; D874-R876 PolarHBondContact OD1-N 3Å; D874-R876 IonicContact OD1-NE 3.44Å; D874-R876 PolarHBondContact OD1-NE 3.08Å; D874-R876 IonicContact OD1-NH2 3.01Å; D874-R876 IonicContact OD2-CZ 3.56Å; D874-R876 IonicContact OD2-NE 3.12Å; D874-R876 PolarHBondContact OD2-NE 3.07Å; D874-R876 IonicContact OD2-NH2 3.1Å; D874-R876 PolarHBondContact OD2-NH2 3.2Å |
| 877 | W | 86.8 | Confident | 88.6 | Confident | 13.25 Ų | 13.25 | 59.6 Ų | 59.6 | 5% | 0.05 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -74.6 | 158.5 | 174.7 | -66 | -0.8 | 0 | 0 | 0 | 111.7 | L498 I503 T606 F608 L854 V857 L872 R873 D874 E875 V881 | L498-W877 HydrophobicContact CD2-CZ3 4.27Å; I503-W877 HydrophobicContact CD1-CB 4.16Å; I503-W877 HydrophobicContact CD1-CD2 3.71Å; I503-W877 HydrophobicContact CD1-CE3 4.26Å; I503-W877 HydrophobicContact CD1-CG 3.63Å; I503-W877 HydrophobicContact CD1-CZ2 4.43Å; T606-W877 PolarHBondContact O-NE1 2.83Å; F608-W877 HydrophobicContact CD2-CZ2 4.3Å; F608-W877 HydrophobicContact CE2-CD2 4.11Å; F608-W877 AromaticContact CE2-CE2 3.71Å; F608-W877 HydrophobicContact CE2-CE3 4.03Å; F608-W877 AromaticContact CE2-CH2 3.29Å; F608-W877 HydrophobicContact CE2-CH2 3.29Å; F608-W877 AromaticContact CE2-CZ2 3.32Å; F608-W877 HydrophobicContact CE2-CZ2 3.32Å; F608-W877 VanDerWaalsContact CE2-CZ2 3.43Å; F608-W877 AromaticContact CE2-CZ3 3.62Å; F608-W877 HydrophobicContact CE2-CZ3 3.62Å; F608-W877 AromaticContact CZ-CH2 3.32Å; F608-W877 HydrophobicContact CZ-CH2 3.32Å; F608-W877 AromaticContact CZ-CZ2 3.64Å; F608-W877 HydrophobicContact CZ-CZ2 3.64Å; F608-W877 AromaticContact CZ-CZ3 3.89Å; F608-W877 HydrophobicContact CZ-CZ3 3.89Å; L854-W877 HydrophobicContact CD1-CH2 4.02Å; V857-W877 HydrophobicContact CG2-CH2 3.81Å; V857-W877 HydrophobicContact CG2-CZ2 3.68Å; L872-W877 VanDerWaalsContact O-CZ3 3.26Å; L872-W877 WeakPolarHBondContact O-CZ3 3.5Å; R873-W877 HydrophobicContact CB-CE3 4.22Å; R873-W877 HydrophobicContact CB-CZ3 4.3Å; R873-W877 HydrophobicContact CG-CB 4.36Å; R873-W877 HydrophobicContact CG-CD2 4.4Å; R873-W877 HydrophobicContact CG-CE3 4.05Å; R873-W877 HydrophobicContact CG-CZ3 4.46Å; R873-W877 PolarHBondContact NH2-O 3.13Å; D874-W877 HydrophobicContact CB-CD2 4.04Å; D874-W877 HydrophobicContact CB-CG 3.98Å; D874-W877 HydrophobicContact CB-CZ2 4.24Å; D874-W877 VanDerWaalsContact CB-NE1 3.28Å; D874-W877 WeakPolarHBondContact O-CB 3.31Å; D874-W877 PolarHBondContact O-N 3.09Å; D874-W877 VanDerWaalsContact O-N 3.1Å; E875-W877 VanDerWaalsContact C-N 3.31Å; E875-W877 PolarHBondContact O-N 3.18Å; W877-V881 HydrophobicContact CE3-CG1 4.35Å |
| 878 | P | 86.5 | Confident | 88.7 | Confident | 70.5 Ų | 70.5 | 57.5 Ų | 57.5 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | trans | -55.7 | 144.8 | 166.6 | -22.4 | 33.5 | 0 | 0 | 0 | 111.3 | R873 T880 V881 | R873-P878 PolarHBondContact NE-O 2.89Å; P878-T880 PolarHBondContact O-N 3.13Å; P878-T880 VanDerWaalsContact O-N 3.17Å; P878-V881 HydrophobicContact CB-CB 4.47Å; P878-V881 HydrophobicContact CB-CG2 4.05Å; P878-V881 HydrophobicContact CG-CG2 4.2Å; P878-V881 PolarHBondContact O-N 3.05Å; P878-V881 VanDerWaalsContact O-N 3.08Å | ||
| 879 | S | 83.2 | Confident | 88.8 | Confident | 103 Ų | 103 | 57 Ų | 57 | 72% | 0.72 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -20.5 | -177.2 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 880 | T | 85.3 | Confident | 88.7 | Confident | 115.5 Ų | 115.5 | 56.5 Ų | 56.5 | 71% | 0.709 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -9.9 | 176.6 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | P878 | P878-T880 PolarHBondContact O-N 3.13Å; P878-T880 VanDerWaalsContact O-N 3.17Å |
| 881 | V | 87 | Confident | 88.6 | Confident | 26.5 Ų | 26.5 | 56.8 Ų | 56.8 | 16% | 0.161 | 30% | 0.303 | C | S | . | . | trans | -107.3 | 117.9 | -175.1 | -177.8 | 0 | 0 | 0 | 0 | 109 | L498 I503 R873 W877 P878 | L498-V881 HydrophobicContact CD2-CG1 3.47Å; L498-V881 VanDerWaalsContact CD2-CG1 3.47Å; I503-V881 HydrophobicContact CD1-CB 4.37Å; I503-V881 HydrophobicContact CD1-CG1 3.65Å; R873-V881 WeakPolarHBondContact CD-O 3.26Å; W877-V881 HydrophobicContact CE3-CG1 4.35Å; P878-V881 HydrophobicContact CB-CB 4.47Å; P878-V881 HydrophobicContact CB-CG2 4.05Å; P878-V881 HydrophobicContact CG-CG2 4.2Å; P878-V881 PolarHBondContact O-N 3.05Å; P878-V881 VanDerWaalsContact O-N 3.08Å | ||
| 882 | Q | 88.6 | Confident | 88.5 | Confident | 80 Ų | 80 | 53.2 Ų | 53.2 | 37% | 0.374 | 29% | 0.286 | S | S | . | . | trans | -152.2 | 160.3 | 178 | 64.8 | -175.7 | 12.4 | 0 | 0 | 110.1 | A497 I871 R873 | A497-Q882 HydrophobicContact CB-CG 4.1Å; A497-Q882 WeakPolarHBondContact CB-O 3.26Å; I871-Q882 HydrophobicContact CG2-CB 3.99Å; I871-Q882 HydrophobicContact CG2-CG 4.41Å; I871-Q882 VanDerWaalsContact CG2-OE1 3.3Å; R873-Q882 HydrophobicContact CB-CB 4.22Å | ||
| 883 | S | 91.1 | Very high | 88.3 | Confident | 12.25 Ų | 12.25 | 55.4 Ų | 55.4 | 9% | 0.086 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 160.6 | 161.1 | 173.4 | 0 | 0 | 0 | 0 | 108.5 | D494 H495 I871 L872 | D494-S883 CarbonylContact O-C 3.5Å; D494-S883 VanDerWaalsContact O-CA 3.32Å; D494-S883 WeakPolarHBondContact O-CA 3.4Å; D494-S883 PolarHBondContact O-OG 3.12Å; H495-S883 PolarHBondContact CE1-OG 3.01Å; H495-S883 WeakPolarHBondContact ND1-CB 3.27Å; H495-S883 PolarHBondContact ND1-OG 2.8Å; I871-S883 CarbonylContact C-O 3.43Å; L872-S883 PolarHBondContact N-O 2.94Å; L872-S883 PolarHBondContact O-N 2.87Å |
| 884 | S | 91.2 | Very high | 88.3 | Confident | 31.25 Ų | 31.25 | 53.8 Ų | 53.8 | 22% | 0.219 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150 | 166.2 | 68.3 | 0 | 0 | 0 | 0 | 111.8 | D494 V870 | D494-S884 PolarHBondContact N-O 3.1Å; D494-S884 PolarHBondContact O-N 2.94Å; V870-S884 CarbonylContact O-C 3.55Å; V870-S884 VanDerWaalsContact O-CA 3.25Å; V870-S884 WeakPolarHBondContact O-CA 3.36Å; V870-S884 VanDerWaalsContact O-CB 3.25Å; V870-S884 WeakPolarHBondContact O-CB 3.41Å |
| 885 | V | 92.7 | Very high | 88.3 | Confident | 7.5 Ų | 7.5 | 53.5 Ų | 53.5 | 5% | 0.045 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 131 | 173.1 | 58.3 | 0 | 0 | 0 | 0 | 108.9 | Q491 V492 I493 L851 M859 V870 L872 | Q491-V885 HydrophobicContact CB-CG2 4.18Å; V492-V885 CarbonylContact O-C 3.58Å; V492-V885 WeakPolarHBondContact O-CA 3.29Å; I493-V885 HydrophobicContact CD1-CB 3.94Å; I493-V885 HydrophobicContact CD1-CG2 3.6Å; L851-V885 HydrophobicContact CB-CG1 3.94Å; L851-V885 HydrophobicContact CB-CG2 4.13Å; L851-V885 HydrophobicContact CD1-CG1 4.05Å; L851-V885 HydrophobicContact CD2-CG1 4.35Å; L851-V885 HydrophobicContact CD2-CG2 4.24Å; L851-V885 HydrophobicContact CG-CG1 4.36Å; M859-V885 HydrophobicContact CE-CG1 4.41Å; V870-V885 HydrophobicContact CB-CG1 4.05Å; V870-V885 PolarHBondContact N-O 2.93Å; V870-V885 PolarHBondContact O-N 2.92Å; L872-V885 HydrophobicContact CD1-CB 4.37Å; L872-V885 HydrophobicContact CD1-CG1 4.02Å; L872-V885 HydrophobicContact CD2-CG1 4.18Å; L872-V885 HydrophobicContact CG-CG1 4.17Å |
| 886 | T | 92.7 | Very high | 88.4 | Confident | 32.75 Ų | 32.75 | 48.4 Ų | 48.4 | 20% | 0.201 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 120.7 | -180 | -54.3 | 0 | 0 | 0 | 0 | 109.4 | Q491 V492 A869 I888 | Q491-T886 CarbonylContact C-O 3.51Å; Q491-T886 WeakPolarHBondContact CA-O 3.43Å; V492-T886 PolarHBondContact N-O 3.09Å; V492-T886 PolarHBondContact O-N 3Å; A869-T886 VanDerWaalsContact CA-OG1 3.29Å; A869-T886 WeakPolarHBondContact CA-OG1 3.28Å; A869-T886 WeakPolarHBondContact CB-OG1 3.35Å; T886-I888 HydrophobicContact CG2-CG2 4.19Å; T886-I888 PolarHBondContact O-N 2.89Å |
| 887 | R | 92.6 | Very high | 88.5 | Confident | 16 Ų | 16 | 44.1 Ų | 44.1 | 6% | 0.06 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 118.7 | 167.5 | 170.9 | 176.7 | -71 | 157 | 5.6 | 109.2 | E489 F849 L851 N863 K864 I866 N867 Q889 S890 | E489-R887 IonicContact OE1-CZ 3.67Å; E489-R887 VanDerWaalsContact OE1-CZ 3.25Å; E489-R887 IonicContact OE1-NE 3.26Å; E489-R887 PolarHBondContact OE1-NE 3.15Å; E489-R887 IonicContact OE1-NH2 3.69Å; E489-R887 PolarHBondContact OE1-NH2 3.35Å; E489-R887 IonicContact OE2-NE 2.79Å; E489-R887 IonicContact OE2-NH2 2.74Å; F849-R887 PolarHBondContact O-NH2 2.99Å; L851-R887 HydrophobicContact CD2-CB 3.87Å; N863-R887 PolarHBondContact O-NH2 2.79Å; K864-R887 PolarHBondContact O-NH1 2.93Å; I866-R887 CarbonylContact C-O 3.48Å; I866-R887 WeakPolarHBondContact CA-O 3.35Å; I866-R887 HydrophobicContact CG1-CG 4.18Å; N867-R887 PolarHBondContact N-O 3.25Å; R887-Q889 WeakPolarHBondContact CG-O 3.4Å; R887-S890 WeakPolarHBondContact CD-OG 3.48Å |
| 888 | I | 92.9 | Very high | 88.5 | Confident | 77.5 Ų | 77.5 | 45.9 Ų | 45.9 | 40% | 0.397 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -23.1 | 175.7 | 57.8 | 167.3 | 0 | 0 | 0 | 112.4 | K490 V492 T837 I866 T886 | K490-I888 HydrophobicContact CB-CD1 3.97Å; K490-I888 HydrophobicContact CB-CG1 3.67Å; K490-I888 WeakPolarHBondContact O-CG1 3.39Å; K490-I888 PolarHBondContact O-N 2.81Å; V492-I888 HydrophobicContact CG2-CD1 3.85Å; V492-I888 HydrophobicContact CG2-CG1 4.23Å; V492-I888 HydrophobicContact CG2-CG2 3.84Å; T837-I888 HydrophobicContact CG2-CD1 4.11Å; I866-I888 WeakPolarHBondContact CG2-O 3.44Å; T886-I888 HydrophobicContact CG2-CG2 4.19Å; T886-I888 PolarHBondContact O-N 2.89Å |
| 889 | Q | 91.4 | Very high | 88.6 | Confident | 75.25 Ų | 75.25 | 42.9 Ų | 42.9 | 35% | 0.352 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 134.2 | 177.9 | -169.6 | 171.7 | 41.7 | 0 | 0 | 109.4 | N487 S488 E489 K490 R887 | N487-Q889 HydrophobicContact CB-CG 4.13Å; N487-Q889 PolarHBondContact OD1-NE2 2.4Å; S488-Q889 WeakPolarHBondContact O-CG 3.39Å; S488-Q889 PolarHBondContact O-OE1 3.12Å; E489-Q889 WeakPolarHBondContact CA-O 3.13Å; K490-Q889 HydrophobicContact CB-CB 3.99Å; K490-Q889 HydrophobicContact CD-CB 4.43Å; K490-Q889 VanDerWaalsContact CE-OE1 3.32Å; K490-Q889 HydrophobicContact CG-CB 4.33Å; K490-Q889 PolarHBondContact N-O 3.11Å; K490-Q889 PolarHBondContact O-N 2.92Å; R887-Q889 WeakPolarHBondContact CG-O 3.4Å |
| 890 | S | 88.3 | Confident | 88.9 | Confident | 46.5 Ų | 46.5 | 39.4 Ų | 39.4 | 33% | 0.325 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -86.4 | 146.4 | 170.1 | -62.5 | 0 | 0 | 0 | 0 | 110.5 | E489 R887 S892 | E489-S890 VanDerWaalsContact OE2-CA 3.32Å; E489-S890 WeakPolarHBondContact OE2-CA 3.4Å; R887-S890 WeakPolarHBondContact CD-OG 3.48Å; S890-S892 PolarHBondContact O-N 3.22Å |
| 891 | A | 87 | Confident | 89.1 | Confident | 15 Ų | 15 | 34.1 Ų | 34.1 | 12% | 0.124 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -61.5 | 130.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | N487 E489 T842 T847 F849 | N487-A891 VanDerWaalsContact O-CA 3.28Å; N487-A891 WeakPolarHBondContact O-CA 3.18Å; E489-A891 HydrophobicContact CB-CB 4.08Å; E489-A891 PolarHBondContact OE2-N 3.15Å; T842-A891 HydrophobicContact CG2-CB 4.21Å; T847-A891 HydrophobicContact CG2-CB 4.13Å; T847-A891 WeakPolarHBondContact CG2-O 3.37Å; F849-A891 HydrophobicContact CD2-CB 4.06Å; F849-A891 HydrophobicContact CE2-CB 3.81Å |
| 892 | S | 86.4 | Confident | 89.3 | Confident | 13.5 Ų | 13.5 | 33.3 Ų | 33.3 | 9% | 0.094 | 19% | 0.19 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 141.8 | 178.8 | -48 | 0 | 0 | 0 | 0 | 111.5 | N485 N487 T847 S890 R943 D972 | N485-S892 WeakPolarHBondContact O-CB 3.33Å; N485-S892 PolarHBondContact O-OG 3.12Å; N487-S892 VanDerWaalsContact CB-OG 3.31Å; N487-S892 WeakPolarHBondContact CB-OG 3.25Å; N487-S892 PolarHBondContact N-OG 3.07Å; N487-S892 PolarHBondContact O-N 3.03Å; N487-S892 VanDerWaalsContact O-N 3.1Å; T847-S892 WeakPolarHBondContact CG2-O 3.42Å; S890-S892 PolarHBondContact O-N 3.22Å; S892-R943 VanDerWaalsContact CB-CZ 3.49Å; S892-R943 VanDerWaalsContact CB-NH1 3.3Å; S892-R943 PolarHBondContact O-NE 3.26Å; S892-R943 VanDerWaalsContact O-NE 3.15Å; S892-R943 PolarHBondContact O-NH1 3.08Å; S892-R943 PolarHBondContact O-NH2 3.1Å; S892-R943 PolarHBondContact OG-NH1 2.96Å; S892-D972 WeakPolarHBondContact CB-OD2 3.35Å; S892-D972 WeakPolarHBondContact OG-CB 3.08Å; S892-D972 PolarHBondContact OG-OD2 2.96Å |
| 893 | P | 86.3 | Confident | 89.5 | Confident | 50.25 Ų | 50.25 | 29.6 Ų | 29.6 | 33% | 0.326 | 17% | 0.173 | S | C | . | . | P | Polyproline II helix | trans | -59.3 | 151.1 | 172.3 | 24.6 | -32.1 | 0 | 0 | 0 | 111.3 | D972 | P893-D972 WeakPolarHBondContact CD-OD1 3.32Å; P893-D972 WeakPolarHBondContact CD-OD2 3.47Å |
| 894 | P | 85.9 | Confident | 89.4 | Confident | 50 Ų | 50 | 34.1 Ų | 34.1 | 33% | 0.325 | 19% | 0.191 | S | C | . | . | P | Polyproline II helix | trans | -58.2 | 155.5 | 163.3 | 29.2 | -35.1 | 0 | 0 | 0 | 109.5 | C845 D896 | C845-P894 HydrophobicContact CB-CB 4.32Å; P894-D896 PolarHBondContact O-N 2.99Å |
| 895 | I | 88.4 | Confident | 89.2 | Confident | 12.25 Ų | 12.25 | 35.7 Ų | 35.7 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | P | Polyproline II helix | trans | -66.1 | 130.5 | 172.4 | -58 | 172.6 | 0 | 0 | 0 | 108.1 | I482 A913 K914 C942 R943 F945 I970 P974 | I482-I895 HydrophobicContact CB-CD1 4.43Å; I482-I895 HydrophobicContact CG2-CD1 3.93Å; I482-I895 HydrophobicContact CG2-CG2 4.03Å; I895-A913 HydrophobicContact CG2-CB 3.95Å; I895-A913 WeakPolarHBondContact CG2-O 3.21Å; I895-K914 WeakPolarHBondContact O-CA 3.42Å; I895-C942 WeakPolarHBondContact CB-O 3.34Å; I895-C942 WeakPolarHBondContact CD1-O 3.24Å; I895-C942 PolarHBondContact N-O 3.21Å; I895-R943 WeakPolarHBondContact CD1-O 3.34Å; I895-F945 HydrophobicContact CB-CE1 4.2Å; I895-F945 HydrophobicContact CD1-CD1 4.42Å; I895-F945 HydrophobicContact CD1-CE1 3.93Å; I895-F945 HydrophobicContact CD1-CZ 4.48Å; I895-F945 HydrophobicContact CG1-CE1 4.47Å; I895-F945 HydrophobicContact CG2-CE1 4.18Å; I895-F945 HydrophobicContact CG2-CZ 4.36Å; I895-I970 WeakPolarHBondContact CA-O 3.32Å; I895-P974 HydrophobicContact CG2-CB 4.4Å |
| 896 | D | 86.5 | Confident | 88.9 | Confident | 69 Ų | 69 | 37.7 Ų | 37.7 | 37% | 0.369 | 22% | 0.224 | S | C | . | . | B | Isolated β-bridge | trans | -141 | -177.8 | 177.9 | -163.5 | 3.5 | 0 | 0 | 0 | 109.5 | P894 A913 K914 L969 I970 | P894-D896 PolarHBondContact O-N 2.99Å; D896-A913 WeakPolarHBondContact O-CB 3.48Å; D896-K914 VanDerWaalsContact CG-CE 3.49Å; D896-K914 WeakPolarHBondContact OD1-CE 3.27Å; D896-K914 WeakPolarHBondContact OD1-CG 3.37Å; D896-L969 WeakPolarHBondContact O-CA 3.27Å; D896-I970 HydrophobicContact CB-CB 4.16Å; D896-I970 HydrophobicContact CB-CG2 4.39Å; D896-I970 PolarHBondContact N-O 3.17Å; D896-I970 PolarHBondContact O-N 2.99Å |
| 897 | G | 87.4 | Confident | 88.6 | Confident | 7.75 Ų | 7.75 | 39.5 Ų | 39.5 | 8% | 0.08 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 93.5 | -158.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S912 A913 R968 | G897-S912 CarbonylContact O-C 3.54Å; G897-S912 WeakPolarHBondContact O-CA 3.45Å; G897-S912 PolarHBondContact O-OG 2.97Å; G897-A913 VanDerWaalsContact O-CB 3.3Å; G897-A913 WeakPolarHBondContact O-CB 3.27Å; G897-A913 PolarHBondContact O-N 3.07Å; G897-R968 VanDerWaalsContact CA-O 3.24Å; G897-R968 WeakPolarHBondContact CA-O 3.22Å |
| 898 | N | 87.8 | Confident | 88.3 | Confident | 52.5 Ų | 52.5 | 39.3 Ų | 39.3 | 28% | 0.281 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 150.4 | -174.5 | -64.7 | -69.8 | 0 | 0 | 0 | 112.1 | R910 I911 S912 T967 R968 | N898-R910 HydrophobicContact CB-CB 4.42Å; N898-I911 CarbonylContact C-O 3.39Å; N898-I911 VanDerWaalsContact CA-O 3.27Å; N898-I911 WeakPolarHBondContact CA-O 3.41Å; N898-S912 VanDerWaalsContact OD1-CA 3.28Å; N898-S912 WeakPolarHBondContact OD1-CA 3.35Å; N898-T967 VanDerWaalsContact C-OG1 3.28Å; N898-T967 PolarHBondContact N-O 2.91Å; N898-T967 CarbonylContact O-C 3.51Å; N898-T967 VanDerWaalsContact O-C 3.28Å; N898-T967 WeakPolarHBondContact O-CA 3.35Å; N898-T967 PolarHBondContact O-N 2.92Å; N898-T967 VanDerWaalsContact O-N 3.13Å; N898-T967 VanDerWaalsContact O-O 3.04Å; N898-T967 PolarHBondContact O-OG1 2.74Å; N898-R968 PolarHBondContact N-O 3.08Å; N898-R968 WeakPolarHBondContact O-CB 3.32Å; N898-R968 PolarHBondContact O-N 3.39Å |
| 899 | F | 88.4 | Confident | 87.7 | Confident | 6.75 Ų | 6.75 | 37 Ų | 37 | 3% | 0.03 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 161.7 | 171.4 | 64.3 | -82.2 | 0 | 0 | 0 | 111.2 | I482 L901 I911 A913 Y947 T967 L969 I976 | I482-F899 HydrophobicContact CD1-CD1 4.14Å; I482-F899 HydrophobicContact CD1-CE1 3.61Å; I482-F899 HydrophobicContact CD1-CZ 4.04Å; F899-L901 HydrophobicContact CD2-CD2 3.86Å; F899-L901 HydrophobicContact CD2-CG 4.08Å; F899-L901 HydrophobicContact CE2-CD1 4.21Å; F899-L901 HydrophobicContact CE2-CD2 3.88Å; F899-L901 HydrophobicContact CE2-CG 3.93Å; F899-I911 HydrophobicContact CD1-CB 4.24Å; F899-I911 HydrophobicContact CD1-CG2 4.46Å; F899-I911 WeakPolarHBondContact CD1-O 3.3Å; F899-I911 HydrophobicContact CD2-CB 4.25Å; F899-I911 HydrophobicContact CD2-CD1 4.47Å; F899-I911 HydrophobicContact CE1-CB 3.87Å; F899-I911 HydrophobicContact CE1-CG2 3.65Å; F899-I911 HydrophobicContact CE2-CB 3.9Å; F899-I911 HydrophobicContact CE2-CD1 3.84Å; F899-I911 HydrophobicContact CE2-CG1 4.35Å; F899-I911 HydrophobicContact CE2-CG2 4.03Å; F899-I911 HydrophobicContact CG-CB 4.42Å; F899-I911 HydrophobicContact CZ-CB 3.71Å; F899-I911 HydrophobicContact CZ-CD1 4.24Å; F899-I911 HydrophobicContact CZ-CG1 4.48Å; F899-I911 HydrophobicContact CZ-CG2 3.39Å; F899-I911 VanDerWaalsContact CZ-CG2 3.42Å; F899-I911 PolarHBondContact N-O 2.95Å; F899-I911 PolarHBondContact O-N 3.06Å; F899-A913 HydrophobicContact CD1-CB 4.11Å; F899-A913 HydrophobicContact CE1-CB 4.42Å; F899-Y947 HydrophobicContact CZ-CE2 4.4Å; F899-T967 HydrophobicContact CB-CG2 4.07Å; F899-L969 HydrophobicContact CB-CD2 4.43Å; F899-L969 HydrophobicContact CD1-CD2 4.4Å; F899-I976 HydrophobicContact CB-CD1 4.22Å; F899-I976 HydrophobicContact CD1-CD1 4.19Å; F899-I976 HydrophobicContact CD2-CD1 3.52Å; F899-I976 HydrophobicContact CE1-CD1 4.19Å; F899-I976 HydrophobicContact CE2-CD1 3.8Å; F899-I976 HydrophobicContact CG-CD1 3.72Å; F899-I976 VanDerWaalsContact CG-CD1 3.48Å; F899-I976 HydrophobicContact CZ-CD1 4.14Å |
| 900 | I | 88.7 | Confident | 87.4 | Confident | 28.75 Ų | 28.75 | 40.1 Ų | 40.1 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 127.9 | 176.9 | -60 | 174.1 | 0 | 0 | 0 | 108.4 | P907 T908 R910 V963 I964 N965 T967 | I900-P907 HydrophobicContact CG2-CB 3.85Å; I900-T908 WeakPolarHBondContact CG2-O 3.4Å; I900-R910 HydrophobicContact CD1-CG 4.31Å; I900-R910 HydrophobicContact CG1-CG 4.32Å; I900-V963 WeakPolarHBondContact O-CA 3.38Å; I900-I964 HydrophobicContact CB-CG1 4.14Å; I900-I964 HydrophobicContact CG2-CB 4.47Å; I900-I964 HydrophobicContact CG2-CD1 4.05Å; I900-I964 HydrophobicContact CG2-CG1 3.73Å; I900-I964 WeakPolarHBondContact O-CG1 3.14Å; I900-I964 PolarHBondContact O-N 3.17Å; I900-I964 VanDerWaalsContact O-N 3.15Å; I900-N965 PolarHBondContact N-O 3.47Å; I900-T967 HydrophobicContact CD1-CG2 4.43Å |
| 901 | L | 90.4 | Very high | 87.3 | Confident | 4.5 Ų | 4.5 | 38 Ų | 38 | 2% | 0.024 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 151.3 | 172.9 | -56.6 | 178.5 | 0 | 0 | 0 | 110 | I480 F899 P907 T908 I911 L925 I961 S962 V963 I978 | I480-L901 HydrophobicContact CD1-CD1 3.74Å; I480-L901 HydrophobicContact CD1-CD2 4.32Å; F899-L901 HydrophobicContact CD2-CD2 3.86Å; F899-L901 HydrophobicContact CD2-CG 4.08Å; F899-L901 HydrophobicContact CE2-CD1 4.21Å; F899-L901 HydrophobicContact CE2-CD2 3.88Å; F899-L901 HydrophobicContact CE2-CG 3.93Å; L901-P907 CarbonylContact O-C 3.49Å; L901-P907 VanDerWaalsContact O-CA 3.29Å; L901-P907 WeakPolarHBondContact O-CA 3.26Å; L901-T908 WeakPolarHBondContact CA-OG1 3.47Å; L901-T908 HydrophobicContact CB-CG2 3.9Å; L901-T908 PolarHBondContact N-OG1 3.06Å; L901-T908 VanDerWaalsContact N-OG1 3.12Å; L901-T908 PolarHBondContact O-N 3.12Å; L901-T908 PolarHBondContact O-OG1 3.01Å; L901-I911 HydrophobicContact CD1-CD1 3.79Å; L901-I911 HydrophobicContact CG-CD1 3.99Å; L901-L925 HydrophobicContact CD1-CD2 4.29Å; L901-I961 HydrophobicContact CB-CG2 3.89Å; L901-I961 HydrophobicContact CD1-CG2 4.39Å; L901-I961 HydrophobicContact CD2-CG2 4.28Å; L901-I961 HydrophobicContact CG-CG2 4.42Å; L901-S962 CarbonylContact C-O 3.53Å; L901-S962 WeakPolarHBondContact CA-O 3.21Å; L901-V963 HydrophobicContact CD2-CG2 4.21Å; L901-I978 HydrophobicContact CD1-CD1 4.31Å; L901-I978 HydrophobicContact CD2-CD1 3.98Å; L901-I978 VanDerWaalsContact CD2-CD1 3.49Å |
| 902 | S | 90.3 | Very high | 87.2 | Confident | 11 Ų | 11 | 38.3 Ų | 38.3 | 8% | 0.077 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 128.8 | 168.2 | -168.6 | 0 | 0 | 0 | 0 | 110.7 | G905 V906 I961 S962 I964 | S902-G905 VanDerWaalsContact OG-C 3.31Å; S902-G905 WeakPolarHBondContact OG-CA 3.4Å; S902-V906 VanDerWaalsContact CA-O 3.29Å; S902-V906 WeakPolarHBondContact CA-O 3.25Å; S902-V906 PolarHBondContact OG-O 2.89Å; S902-I961 WeakPolarHBondContact O-CA 3.28Å; S902-I961 WeakPolarHBondContact O-CG2 3.3Å; S902-S962 VanDerWaalsContact CB-OG 3.28Å; S902-S962 WeakPolarHBondContact CB-OG 3.43Å; S902-S962 PolarHBondContact N-O 2.93Å; S902-S962 PolarHBondContact O-N 3.17Å; S902-I964 VanDerWaalsContact CB-CG1 3.43Å; S902-I964 VanDerWaalsContact CB-CG2 3.46Å; S902-I964 WeakPolarHBondContact OG-CD1 3.38Å |
| 903 | F | 92.4 | Very high | 87.2 | Confident | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 123.4 | 169.3 | -176.9 | -115.4 | 0 | 0 | 0 | 110.1 | G905 V906 L930 M931 L951 L954 Q958 P959 I961 | F903-G905 PolarHBondContact O-N 3.08Å; F903-V906 PolarHBondContact N-O 2.97Å; F903-V906 PolarHBondContact O-N 3.18Å; F903-V906 VanDerWaalsContact O-N 3.09Å; F903-L930 HydrophobicContact CD1-CB 4.05Å; F903-L930 HydrophobicContact CE1-CB 4.3Å; F903-L930 VanDerWaalsContact CE1-O 3.27Å; F903-L930 WeakPolarHBondContact CE1-O 3.27Å; F903-M931 HydrophobicContact CB-CG 3.98Å; F903-M931 HydrophobicContact CB-SD 4.24Å; F903-M931 HydrophobicContact CD1-CB 4.41Å; F903-M931 HydrophobicContact CD1-CG 3.46Å; F903-M931 VanDerWaalsContact CD1-CG 3.44Å; F903-M931 HydrophobicContact CE1-CG 4.1Å; F903-M931 HydrophobicContact CG-CG 3.83Å; F903-L951 HydrophobicContact CE1-CD1 4.25Å; F903-L951 HydrophobicContact CE2-CD1 4.01Å; F903-L951 HydrophobicContact CZ-CD1 3.82Å; F903-L954 HydrophobicContact CE1-CD1 3.85Å; F903-L954 HydrophobicContact CZ-CD1 3.87Å; F903-Q958 HydrophobicContact CE2-CB 4.17Å; F903-Q958 HydrophobicContact CZ-CB 4.14Å; F903-Q958 HydrophobicContact CZ-CG 4.38Å; F903-P959 HydrophobicContact CD2-CG 4.34Å; F903-P959 HydrophobicContact CE2-CG 3.95Å; F903-P959 WeakPolarHBondContact CE2-O 3.19Å; F903-P959 HydrophobicContact CZ-CG 4.42Å; F903-I961 HydrophobicContact CB-CG1 4.26Å; F903-I961 HydrophobicContact CD2-CD1 4.09Å; F903-I961 HydrophobicContact CD2-CG1 3.57Å; F903-I961 HydrophobicContact CE2-CG1 4.36Å; F903-I961 HydrophobicContact CG-CG1 4.32Å |
| 904 | K | 89.9 | Confident | 87.1 | Confident | 107.5 Ų | 107.5 | 40.6 Ų | 40.6 | 47% | 0.467 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 33.3 | -175.4 | -65.2 | 176.6 | 179.8 | 171 | 0 | 113.3 | V906 L930 P959 | K904-V906 VanDerWaalsContact C-N 3.29Å; K904-V906 PolarHBondContact O-N 3.02Å; K904-L930 HydrophobicContact CB-CD1 3.85Å; K904-L930 HydrophobicContact CD-CD1 4.46Å; K904-P959 HydrophobicContact CD-CG 4.38Å; K904-P959 HydrophobicContact CG-CG 3.65Å |
| 905 | G | 85.9 | Confident | 86.8 | Confident | 64.75 Ų | 64.75 | 42 Ų | 42 | 67% | 0.668 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.8 | -7.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S902 F903 | S902-G905 VanDerWaalsContact OG-C 3.31Å; S902-G905 WeakPolarHBondContact OG-CA 3.4Å; F903-G905 PolarHBondContact O-N 3.08Å |
| 906 | V | 86.4 | Confident | 86.4 | Confident | 48.25 Ų | 48.25 | 42.1 Ų | 42.1 | 29% | 0.292 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 130.2 | 176.9 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | S902 F903 K904 H928 P929 L930 | S902-V906 VanDerWaalsContact CA-O 3.29Å; S902-V906 WeakPolarHBondContact CA-O 3.25Å; S902-V906 PolarHBondContact OG-O 2.89Å; F903-V906 PolarHBondContact N-O 2.97Å; F903-V906 PolarHBondContact O-N 3.18Å; F903-V906 VanDerWaalsContact O-N 3.09Å; K904-V906 VanDerWaalsContact C-N 3.29Å; K904-V906 PolarHBondContact O-N 3.02Å; V906-H928 WeakPolarHBondContact CB-NE2 2.84Å; V906-H928 WeakPolarHBondContact CG1-NE2 3.34Å; V906-H928 PolarHBondContact O-NE2 2.76Å; V906-H928 VanDerWaalsContact O-NE2 3.15Å; V906-P929 HydrophobicContact CG1-CG 3.99Å; V906-L930 HydrophobicContact CB-CD1 4.19Å; V906-L930 HydrophobicContact CG2-CD1 3.53Å; V906-L930 VanDerWaalsContact CG2-CD1 3.48Å; V906-L930 HydrophobicContact CG2-CG 4.32Å |
| 907 | P | 87.6 | Confident | 86 | Confident | 71 Ų | 71 | 41.2 Ų | 41.2 | 46% | 0.461 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 148 | 176.4 | 31 | -35.1 | 0 | 0 | 0 | 112.2 | I900 L901 H928 I964 | I900-P907 HydrophobicContact CG2-CB 3.85Å; L901-P907 CarbonylContact O-C 3.49Å; L901-P907 VanDerWaalsContact O-CA 3.29Å; L901-P907 WeakPolarHBondContact O-CA 3.26Å; P907-H928 PolarHBondContact O-CD2 2.84Å; P907-I964 HydrophobicContact CB-CD1 3.71Å |
| 908 | T | 86.7 | Confident | 85.9 | Confident | 11.75 Ų | 11.75 | 42 Ų | 42 | 7% | 0.072 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 163.7 | 163 | 59 | 0 | 0 | 0 | 0 | 111.1 | I900 L901 I911 L924 L925 H928 M931 | I900-T908 WeakPolarHBondContact CG2-O 3.4Å; L901-T908 WeakPolarHBondContact CA-OG1 3.47Å; L901-T908 HydrophobicContact CB-CG2 3.9Å; L901-T908 PolarHBondContact N-OG1 3.06Å; L901-T908 VanDerWaalsContact N-OG1 3.12Å; L901-T908 PolarHBondContact O-N 3.12Å; L901-T908 PolarHBondContact O-OG1 3.01Å; T908-I911 HydrophobicContact CG2-CD1 4.45Å; T908-L924 HydrophobicContact CG2-CD2 4.45Å; T908-L925 HydrophobicContact CG2-CD2 4.01Å; T908-H928 HydrophobicContact CG2-CB 4.38Å; T908-M931 HydrophobicContact CG2-SD 4.28Å |
| 909 | S | 80.8 | Confident | 85.5 | Confident | 30.5 Ų | 30.5 | 40.6 Ų | 40.6 | 21% | 0.213 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -59 | 161 | 157.9 | 35.1 | 0 | 0 | 0 | 0 | 110.3 | I911 L924 | S909-I911 WeakPolarHBondContact O-CG1 3.32Å; S909-I911 PolarHBondContact O-N 3.07Å; S909-I911 VanDerWaalsContact O-N 3.16Å; S909-L924 WeakPolarHBondContact OG-CD2 3.42Å; S909-L924 WeakPolarHBondContact OG-CG 3.42Å |
| 910 | R | 83.7 | Confident | 85.3 | Confident | 140.5 Ų | 140.5 | 41 Ų | 41 | 53% | 0.53 | 22% | 0.22 | S | C | . | . | P | Polyproline II helix | trans | -59 | 124.9 | 178.2 | -66.4 | -177.6 | -168.2 | -132.9 | 3.8 | 109.6 | N898 I900 R968 | N898-R910 HydrophobicContact CB-CB 4.42Å; I900-R910 HydrophobicContact CD1-CG 4.31Å; I900-R910 HydrophobicContact CG1-CG 4.32Å; R910-R968 VanDerWaalsContact CZ-NH2 3.29Å; R910-R968 VanDerWaalsContact NH1-NH2 3.19Å; R910-R968 VanDerWaalsContact NH2-NH1 3.19Å |
| 911 | I | 86.5 | Confident | 85.3 | Confident | 1.25 Ų | 1.25 | 39.8 Ų | 39.8 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.3 | 175.8 | -49.8 | -175.5 | 0 | 0 | 0 | 107.1 | N898 F899 L901 T908 S909 A913 M916 I921 L924 L925 | N898-I911 CarbonylContact C-O 3.39Å; N898-I911 VanDerWaalsContact CA-O 3.27Å; N898-I911 WeakPolarHBondContact CA-O 3.41Å; F899-I911 HydrophobicContact CD1-CB 4.24Å; F899-I911 HydrophobicContact CD1-CG2 4.46Å; F899-I911 WeakPolarHBondContact CD1-O 3.3Å; F899-I911 HydrophobicContact CD2-CB 4.25Å; F899-I911 HydrophobicContact CD2-CD1 4.47Å; F899-I911 HydrophobicContact CE1-CB 3.87Å; F899-I911 HydrophobicContact CE1-CG2 3.65Å; F899-I911 HydrophobicContact CE2-CB 3.9Å; F899-I911 HydrophobicContact CE2-CD1 3.84Å; F899-I911 HydrophobicContact CE2-CG1 4.35Å; F899-I911 HydrophobicContact CE2-CG2 4.03Å; F899-I911 HydrophobicContact CG-CB 4.42Å; F899-I911 HydrophobicContact CZ-CB 3.71Å; F899-I911 HydrophobicContact CZ-CD1 4.24Å; F899-I911 HydrophobicContact CZ-CG1 4.48Å; F899-I911 HydrophobicContact CZ-CG2 3.39Å; F899-I911 VanDerWaalsContact CZ-CG2 3.42Å; F899-I911 PolarHBondContact N-O 2.95Å; F899-I911 PolarHBondContact O-N 3.06Å; L901-I911 HydrophobicContact CD1-CD1 3.79Å; L901-I911 HydrophobicContact CG-CD1 3.99Å; T908-I911 HydrophobicContact CG2-CD1 4.45Å; S909-I911 WeakPolarHBondContact O-CG1 3.32Å; S909-I911 PolarHBondContact O-N 3.07Å; S909-I911 VanDerWaalsContact O-N 3.16Å; I911-A913 PolarHBondContact O-N 3.01Å; I911-M916 HydrophobicContact CG2-CE 3.76Å; I911-M916 VanDerWaalsContact CG2-CE 3.44Å; I911-I921 HydrophobicContact CG2-CD1 3.48Å; I911-I921 VanDerWaalsContact CG2-CD1 3.44Å; I911-L924 HydrophobicContact CB-CD1 4.38Å; I911-L924 HydrophobicContact CD1-CD2 3.79Å; I911-L924 HydrophobicContact CG1-CD1 3.93Å; I911-L924 HydrophobicContact CG1-CD2 3.67Å; I911-L924 HydrophobicContact CG1-CG 4.48Å; I911-L924 HydrophobicContact CG2-CD1 4.27Å; I911-L925 HydrophobicContact CD1-CD2 4.05Å |
| 912 | S | 85.7 | Confident | 85.2 | Confident | 21.5 Ų | 21.5 | 42.3 Ų | 42.3 | 15% | 0.15 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 133.8 | 173.1 | -178.7 | 0 | 0 | 0 | 0 | 110 | G897 N898 K914 M916 | G897-S912 CarbonylContact O-C 3.54Å; G897-S912 WeakPolarHBondContact O-CA 3.45Å; G897-S912 PolarHBondContact O-OG 2.97Å; N898-S912 VanDerWaalsContact OD1-CA 3.28Å; N898-S912 WeakPolarHBondContact OD1-CA 3.35Å; S912-K914 VanDerWaalsContact C-N 3.29Å; S912-K914 PolarHBondContact O-N 3.07Å; S912-K914 VanDerWaalsContact OG-CB 3.27Å; S912-K914 WeakPolarHBondContact OG-CB 3.16Å; S912-K914 VanDerWaalsContact OG-CG 3.31Å; S912-K914 WeakPolarHBondContact OG-CG 3.48Å; S912-K914 PolarHBondContact OG-N 2.94Å; S912-M916 VanDerWaalsContact CB-SD 3.54Å; S912-M916 VanDerWaalsContact O-CE 3.32Å; S912-M916 WeakPolarHBondContact O-CE 3.3Å |
| 913 | A | 86.5 | Confident | 84.9 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | trans | -82.7 | -4.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I895 D896 G897 F899 I911 F945 L969 | I895-A913 HydrophobicContact CG2-CB 3.95Å; I895-A913 WeakPolarHBondContact CG2-O 3.21Å; D896-A913 WeakPolarHBondContact O-CB 3.48Å; G897-A913 VanDerWaalsContact O-CB 3.3Å; G897-A913 WeakPolarHBondContact O-CB 3.27Å; G897-A913 PolarHBondContact O-N 3.07Å; F899-A913 HydrophobicContact CD1-CB 4.11Å; F899-A913 HydrophobicContact CE1-CB 4.42Å; I911-A913 PolarHBondContact O-N 3.01Å; A913-F945 VanDerWaalsContact O-CZ 3.27Å; A913-F945 WeakPolarHBondContact O-CZ 3.34Å; A913-L969 HydrophobicContact CB-CD2 3.4Å; A913-L969 VanDerWaalsContact CB-CD2 3.42Å | ||
| 914 | K | 84.2 | Confident | 84.7 | Confident | 111.25 Ų | 111.25 | 45.5 Ų | 45.5 | 48% | 0.484 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -60.6 | 152.9 | 167.4 | -150.4 | 178.4 | 174.7 | -175.9 | 0 | 109.8 | I895 D896 S912 M916 E1421 | I895-K914 WeakPolarHBondContact O-CA 3.42Å; D896-K914 VanDerWaalsContact CG-CE 3.49Å; D896-K914 WeakPolarHBondContact OD1-CE 3.27Å; D896-K914 WeakPolarHBondContact OD1-CG 3.37Å; S912-K914 VanDerWaalsContact C-N 3.29Å; S912-K914 PolarHBondContact O-N 3.07Å; S912-K914 VanDerWaalsContact OG-CB 3.27Å; S912-K914 WeakPolarHBondContact OG-CB 3.16Å; S912-K914 VanDerWaalsContact OG-CG 3.31Å; S912-K914 WeakPolarHBondContact OG-CG 3.48Å; S912-K914 PolarHBondContact OG-N 2.94Å; K914-M916 VanDerWaalsContact C-N 3.29Å; K914-M916 HydrophobicContact CB-CG 4.32Å; K914-M916 PolarHBondContact O-N 3.04Å; K914-M916 VanDerWaalsContact O-N 3.16Å; K914-E1421 IonicContact NZ-OE2 3.22Å; K914-E1421 PolarHBondContact NZ-OE2 2.96Å |
| 915 | Y | 79.6 | Confident | 84.7 | Confident | 79.5 Ų | 79.5 | 40.4 Ų | 40.4 | 31% | 0.312 | 22% | 0.216 | S | C | . | . | trans | -56.5 | 111.1 | 168.8 | 178.5 | -93.4 | 0 | 0 | 0 | 110.6 | E788 R938 G940 W941 C942 F945 | E788-Y915 VanDerWaalsContact CD-CE1 3.48Å; E788-Y915 WeakPolarHBondContact OE1-CE1 3.19Å; E788-Y915 PolarHBondContact OE1-OH 3.21Å; E788-Y915 PolarHBondContact OE2-OH 3.1Å; Y915-R938 VanDerWaalsContact CD2-NH1 3.26Å; Y915-R938 VanDerWaalsContact CE2-CZ 3.42Å; Y915-R938 VanDerWaalsContact CE2-NH1 3.3Å; Y915-R938 VanDerWaalsContact CZ-CZ 3.42Å; Y915-R938 PolarHBondContact O-NH1 2.85Å; Y915-R938 PolarHBondContact OH-NE 3.02Å; Y915-R938 PolarHBondContact OH-NH1 2.81Å; Y915-R938 PolarHBondContact OH-NH2 2.86Å; Y915-R938 VanDerWaalsContact OH-NH2 3.14Å; Y915-G940 PolarHBondContact OH-O 3.16Å; Y915-W941 AromaticContact CD2-CD1 3.4Å; Y915-W941 VanDerWaalsContact CD2-CD1 3.4Å; Y915-W941 AromaticContact CE1-NE1 3.93Å; Y915-W941 HydrophobicContact CE2-CB 4.43Å; Y915-W941 AromaticContact CE2-CD1 3.58Å; Y915-W941 VanDerWaalsContact CE2-CD1 3.43Å; Y915-W941 HydrophobicContact CE2-CG 4.22Å; Y915-W941 AromaticContact CZ-CD1 3.46Å; Y915-W941 VanDerWaalsContact CZ-CD1 3.46Å; Y915-W941 AromaticContact CZ-NE1 3.68Å; Y915-W941 VanDerWaalsContact OH-CD1 3.22Å; Y915-C942 VanDerWaalsContact CB-CB 3.43Å; Y915-C942 HydrophobicContact CD1-CB 3.91Å; Y915-C942 HydrophobicContact CD2-CB 4.06Å; Y915-C942 HydrophobicContact CG-CB 3.54Å; Y915-F945 HydrophobicContact CD2-CB 4.13Å; Y915-F945 AromaticContact CD2-CD1 3.55Å; Y915-F945 HydrophobicContact CD2-CD1 3.88Å; Y915-F945 HydrophobicContact CD2-CD2 4.44Å; Y915-F945 HydrophobicContact CD2-CE1 4.08Å; Y915-F945 AromaticContact CD2-CG 3.73Å; Y915-F945 HydrophobicContact CD2-CG 3.9Å; Y915-F945 HydrophobicContact CE2-CB 3.85Å; Y915-F945 HydrophobicContact CE2-CD1 4.26Å; Y915-F945 HydrophobicContact CE2-CG 4.12Å | ||
| 916 | M | 79.4 | Confident | 84.8 | Confident | 14.75 Ų | 14.75 | 38.9 Ų | 38.9 | 7% | 0.073 | 19% | 0.192 | C | C | . | . | trans | -121.1 | 152.6 | 177.7 | -69.8 | -174.7 | -62.4 | 0 | 0 | 110.7 | I911 S912 K914 V920 I921 L924 R938 Y947 E1421 | I911-M916 HydrophobicContact CG2-CE 3.76Å; I911-M916 VanDerWaalsContact CG2-CE 3.44Å; S912-M916 VanDerWaalsContact CB-SD 3.54Å; S912-M916 VanDerWaalsContact O-CE 3.32Å; S912-M916 WeakPolarHBondContact O-CE 3.3Å; K914-M916 VanDerWaalsContact C-N 3.29Å; K914-M916 HydrophobicContact CB-CG 4.32Å; K914-M916 PolarHBondContact O-N 3.04Å; K914-M916 VanDerWaalsContact O-N 3.16Å; M916-V920 HydrophobicContact CB-CB 4.46Å; M916-V920 HydrophobicContact CE-CG1 4.38Å; M916-V920 HydrophobicContact CG-CG1 4.47Å; M916-V920 HydrophobicContact SD-CG1 4.05Å; M916-I921 HydrophobicContact CB-CD1 4.16Å; M916-I921 HydrophobicContact CB-CG1 4.17Å; M916-I921 HydrophobicContact CE-CD1 3.69Å; M916-I921 HydrophobicContact CE-CG1 4.04Å; M916-I921 HydrophobicContact SD-CG1 4.41Å; M916-L924 HydrophobicContact SD-CD1 4.46Å; M916-R938 VanDerWaalsContact C-NH1 3.26Å; M916-R938 VanDerWaalsContact O-CD 3.26Å; M916-R938 WeakPolarHBondContact O-CD 3Å; M916-R938 PolarHBondContact O-NE 3.14Å; M916-R938 PolarHBondContact O-NH1 2.94Å; M916-Y947 PolarHBondContact N-OH 3.09Å; M916-Y947 VanDerWaalsContact N-OH 3.16Å; M916-Y947 PolarHBondContact O-OH 3.15Å; M916-Y947 VanDerWaalsContact O-OH 3.05Å; M916-E1421 HydrophobicContact SD-CG 3.79Å | ||
| 917 | E | 77.6 | Confident | 84.9 | Confident | 48.75 Ų | 48.75 | 37.8 Ų | 37.8 | 23% | 0.228 | 18% | 0.184 | C | C | . | . | trans | -60.8 | 141.8 | 171.8 | -90.7 | -111.8 | 137.1 | 0 | 0 | 111.2 | L787 E788 S919 V920 I921 R938 | L787-E917 WeakPolarHBondContact CA-OE2 3.42Å; L787-E917 WeakPolarHBondContact CB-OE2 3.42Å; L787-E917 WeakPolarHBondContact CD2-OE2 3.38Å; L787-E917 PolarHBondContact N-OE2 2.85Å; E788-E917 HydrophobicContact CB-CG 4.25Å; E788-E917 HydrophobicContact CG-CG 4.06Å; E917-S919 PolarHBondContact O-N 3.05Å; E917-S919 VanDerWaalsContact O-N 3.12Å; E917-S919 PolarHBondContact OE1-OG 3.44Å; E917-S919 PolarHBondContact OE2-OG 2.93Å; E917-V920 HydrophobicContact CB-CG2 4.22Å; E917-V920 WeakPolarHBondContact O-CB 3.44Å; E917-V920 PolarHBondContact O-N 3.02Å; E917-V920 VanDerWaalsContact O-N 3.13Å; E917-I921 PolarHBondContact O-N 3.03Å; E917-R938 IonicContact OE1-CZ 3.16Å; E917-R938 IonicContact OE1-NE 2.84Å; E917-R938 IonicContact OE1-NH1 2.71Å; E917-R938 IonicContact OE1-NH2 2.84Å; E917-R938 PolarHBondContact OE1-NH2 3.14Å; E917-R938 IonicContact OE2-NH2 3.57Å; E917-R938 PolarHBondContact OE2-NH2 3.02Å | ||
| 918 | P | 84.8 | Confident | 84.9 | Confident | 25.25 Ų | 25.25 | 34.7 Ų | 34.7 | 16% | 0.164 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -55.9 | -32.2 | 178.7 | 0.4 | -0.7 | 0 | 0 | 0 | 112.4 | L787 V920 I921 E922 V936 R938 | L787-P918 HydrophobicContact CD1-CB 4.49Å; P918-V920 VanDerWaalsContact C-N 3.31Å; P918-V920 PolarHBondContact O-N 3.26Å; P918-I921 CarbonylContact O-C 3.52Å; P918-I921 WeakPolarHBondContact O-CB 3.32Å; P918-I921 PolarHBondContact O-N 2.98Å; P918-I921 VanDerWaalsContact O-N 3.07Å; P918-E922 VanDerWaalsContact O-CB 3.28Å; P918-E922 WeakPolarHBondContact O-CB 3.39Å; P918-E922 WeakPolarHBondContact O-CG 3.37Å; P918-E922 PolarHBondContact O-N 3.11Å; P918-V936 HydrophobicContact CB-CB 4.26Å; P918-V936 HydrophobicContact CB-CG1 4.12Å; P918-V936 WeakPolarHBondContact CB-O 3.28Å; P918-V936 WeakPolarHBondContact O-CB 3.4Å; P918-R938 HydrophobicContact CB-CB 4.11Å; P918-R938 HydrophobicContact CG-CB 4.08Å |
| 919 | S | 80 | Confident | 84.8 | Confident | 22.5 Ų | 22.5 | 37.6 Ų | 37.6 | 16% | 0.157 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.6 | -29 | 177.7 | 62.4 | 0 | 0 | 0 | 0 | 114.2 | E917 E922 R923 | E917-S919 PolarHBondContact O-N 3.05Å; E917-S919 VanDerWaalsContact O-N 3.12Å; E917-S919 PolarHBondContact OE1-OG 3.44Å; E917-S919 PolarHBondContact OE2-OG 2.93Å; S919-E922 PolarHBondContact O-N 2.77Å; S919-R923 WeakPolarHBondContact O-CG 3.26Å; S919-R923 PolarHBondContact O-N 2.83Å; S919-R923 PolarHBondContact O-NE 2.96Å; S919-R923 VanDerWaalsContact O-NE 3.14Å; S919-R923 PolarHBondContact OG-NH1 3.08Å; S919-R923 PolarHBondContact OG-NH2 3.02Å |
| 920 | V | 84.6 | Confident | 85.2 | Confident | 14.75 Ų | 14.75 | 39.5 Ų | 39.5 | 9% | 0.089 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.8 | -46.5 | 174.4 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | L787 M916 E917 P918 E922 R923 L924 L1420 E1421 | L787-V920 HydrophobicContact CD1-CG2 3.13Å; L787-V920 HydrophobicContact CD2-CG2 3.99Å; L787-V920 HydrophobicContact CG-CG2 4.12Å; M916-V920 HydrophobicContact CB-CB 4.46Å; M916-V920 HydrophobicContact CE-CG1 4.38Å; M916-V920 HydrophobicContact CG-CG1 4.47Å; M916-V920 HydrophobicContact SD-CG1 4.05Å; E917-V920 HydrophobicContact CB-CG2 4.22Å; E917-V920 WeakPolarHBondContact O-CB 3.44Å; E917-V920 PolarHBondContact O-N 3.02Å; E917-V920 VanDerWaalsContact O-N 3.13Å; P918-V920 VanDerWaalsContact C-N 3.31Å; P918-V920 PolarHBondContact O-N 3.26Å; V920-E922 VanDerWaalsContact C-N 3.31Å; V920-E922 PolarHBondContact O-N 3.36Å; V920-R923 PolarHBondContact O-N 3.04Å; V920-L924 HydrophobicContact CG1-CD1 4.01Å; V920-L924 HydrophobicContact CG1-CG 4.38Å; V920-L924 WeakPolarHBondContact O-CB 3.42Å; V920-L924 WeakPolarHBondContact O-CG 3.49Å; V920-L924 PolarHBondContact O-N 3.14Å; V920-L1420 HydrophobicContact CG1-CB 4.36Å; V920-E1421 HydrophobicContact CG1-CG 3.88Å; V920-E1421 HydrophobicContact CG2-CG 4.06Å |
| 921 | I | 87.7 | Confident | 85.6 | Confident | 4.25 Ų | 4.25 | 32.8 Ų | 32.8 | 2% | 0.022 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.4 | -41.8 | 176.1 | -60.5 | -128.2 | 0 | 0 | 0 | 109.8 | I911 M916 E917 P918 R923 L924 L925 V936 Y947 | I911-I921 HydrophobicContact CG2-CD1 3.48Å; I911-I921 VanDerWaalsContact CG2-CD1 3.44Å; M916-I921 HydrophobicContact CB-CD1 4.16Å; M916-I921 HydrophobicContact CB-CG1 4.17Å; M916-I921 HydrophobicContact CE-CD1 3.69Å; M916-I921 HydrophobicContact CE-CG1 4.04Å; M916-I921 HydrophobicContact SD-CG1 4.41Å; E917-I921 PolarHBondContact O-N 3.03Å; P918-I921 CarbonylContact O-C 3.52Å; P918-I921 WeakPolarHBondContact O-CB 3.32Å; P918-I921 PolarHBondContact O-N 2.98Å; P918-I921 VanDerWaalsContact O-N 3.07Å; I921-R923 VanDerWaalsContact C-N 3.35Å; I921-R923 PolarHBondContact O-N 2.96Å; I921-L924 PolarHBondContact O-N 2.94Å; I921-L925 HydrophobicContact CG2-CD1 3.73Å; I921-L925 HydrophobicContact CG2-CG 4.03Å; I921-L925 WeakPolarHBondContact O-CB 3.33Å; I921-L925 VanDerWaalsContact O-CG 3.27Å; I921-L925 WeakPolarHBondContact O-CG 3.27Å; I921-L925 PolarHBondContact O-N 2.95Å; I921-V936 HydrophobicContact CB-CG1 4.31Å; I921-V936 HydrophobicContact CB-CG2 4.33Å; I921-V936 HydrophobicContact CG2-CG1 4.18Å; I921-V936 HydrophobicContact CG2-CG2 4.11Å; I921-Y947 HydrophobicContact CB-CE1 4.46Å; I921-Y947 HydrophobicContact CD1-CD1 3.54Å; I921-Y947 HydrophobicContact CD1-CD2 4.08Å; I921-Y947 HydrophobicContact CD1-CE1 3.52Å; I921-Y947 HydrophobicContact CD1-CE2 3.91Å; I921-Y947 VanDerWaalsContact CD1-CE2 3.41Å; I921-Y947 HydrophobicContact CD1-CG 4.12Å; I921-Y947 VanDerWaalsContact CD1-CZ 3.44Å; I921-Y947 WeakPolarHBondContact CD1-OH 2.93Å; I921-Y947 HydrophobicContact CG1-CD1 4.07Å; I921-Y947 HydrophobicContact CG1-CD2 4.17Å; I921-Y947 HydrophobicContact CG1-CE1 3.93Å; I921-Y947 HydrophobicContact CG1-CE2 3.95Å; I921-Y947 HydrophobicContact CG1-CG 4.23Å |
| 922 | E | 88.8 | Confident | 85.6 | Confident | 57.5 Ų | 57.5 | 33.7 Ų | 33.7 | 27% | 0.269 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58 | -49.3 | 175.6 | -150 | 172.3 | 120.2 | 0 | 0 | 111.5 | P918 S919 V920 L924 L925 N926 V934 R935 V936 | P918-E922 VanDerWaalsContact O-CB 3.28Å; P918-E922 WeakPolarHBondContact O-CB 3.39Å; P918-E922 WeakPolarHBondContact O-CG 3.37Å; P918-E922 PolarHBondContact O-N 3.11Å; S919-E922 PolarHBondContact O-N 2.77Å; V920-E922 VanDerWaalsContact C-N 3.31Å; V920-E922 PolarHBondContact O-N 3.36Å; E922-L924 PolarHBondContact O-N 3.25Å; E922-L925 PolarHBondContact O-N 3.25Å; E922-N926 WeakPolarHBondContact CG-ND2 3.33Å; E922-N926 VanDerWaalsContact O-CB 3.25Å; E922-N926 WeakPolarHBondContact O-CB 3.36Å; E922-N926 PolarHBondContact O-N 2.98Å; E922-N926 PolarHBondContact O-ND2 3.01Å; E922-N926 VanDerWaalsContact O-ND2 3.15Å; E922-N926 PolarHBondContact O-OD1 2.9Å; E922-V934 VanDerWaalsContact CG-O 3.26Å; E922-V934 WeakPolarHBondContact CG-O 3.33Å; E922-R935 VanDerWaalsContact OE1-CA 3.31Å; E922-R935 WeakPolarHBondContact OE1-CA 3.38Å; E922-R935 WeakPolarHBondContact OE1-CG 3.36Å; E922-R935 VanDerWaalsContact OE2-CA 3.24Å; E922-R935 WeakPolarHBondContact OE2-CA 3.37Å; E922-V936 VanDerWaalsContact CA-CG2 3.47Å; E922-V936 HydrophobicContact CB-CB 4.12Å; E922-V936 HydrophobicContact CB-CG2 3.9Å; E922-V936 HydrophobicContact CG-CB 3.67Å; E922-V936 HydrophobicContact CG-CG2 4Å; E922-V936 PolarHBondContact OE1-N 3.13Å; E922-V936 PolarHBondContact OE2-N 3.15Å |
| 923 | R | 84.6 | Confident | 85.7 | Confident | 61.25 Ų | 61.25 | 33.9 Ų | 33.9 | 23% | 0.231 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 174.5 | -78 | -172.1 | -67.7 | -112.2 | 3.1 | 111.9 | Y785 S919 V920 I921 L925 N926 L927 L1420 | Y785-R923 PolarHBondContact O-NH1 2.93Å; S919-R923 WeakPolarHBondContact O-CG 3.26Å; S919-R923 PolarHBondContact O-N 2.83Å; S919-R923 PolarHBondContact O-NE 2.96Å; S919-R923 VanDerWaalsContact O-NE 3.14Å; S919-R923 PolarHBondContact OG-NH1 3.08Å; S919-R923 PolarHBondContact OG-NH2 3.02Å; V920-R923 PolarHBondContact O-N 3.04Å; I921-R923 VanDerWaalsContact C-N 3.35Å; I921-R923 PolarHBondContact O-N 2.96Å; R923-L925 VanDerWaalsContact C-N 3.34Å; R923-L925 PolarHBondContact O-N 2.96Å; R923-N926 PolarHBondContact O-N 3.18Å; R923-L927 WeakPolarHBondContact O-CD1 3.42Å; R923-L927 VanDerWaalsContact O-CG 3.26Å; R923-L927 WeakPolarHBondContact O-CG 3.35Å; R923-L927 PolarHBondContact O-N 3.09Å; R923-L1420 PolarHBondContact NE-O 3.02Å; R923-L1420 PolarHBondContact NH2-O 2.84Å |
| 924 | L | 87.5 | Confident | 85.9 | Confident | 18.5 Ų | 18.5 | 34 Ų | 34 | 10% | 0.097 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | -179.5 | -150.9 | 160.6 | 0 | 0 | 0 | 112 | T908 S909 I911 M916 V920 I921 E922 N926 L927 H928 L1420 | T908-L924 HydrophobicContact CG2-CD2 4.45Å; S909-L924 WeakPolarHBondContact OG-CD2 3.42Å; S909-L924 WeakPolarHBondContact OG-CG 3.42Å; I911-L924 HydrophobicContact CB-CD1 4.38Å; I911-L924 HydrophobicContact CD1-CD2 3.79Å; I911-L924 HydrophobicContact CG1-CD1 3.93Å; I911-L924 HydrophobicContact CG1-CD2 3.67Å; I911-L924 HydrophobicContact CG1-CG 4.48Å; I911-L924 HydrophobicContact CG2-CD1 4.27Å; M916-L924 HydrophobicContact SD-CD1 4.46Å; V920-L924 HydrophobicContact CG1-CD1 4.01Å; V920-L924 HydrophobicContact CG1-CG 4.38Å; V920-L924 WeakPolarHBondContact O-CB 3.42Å; V920-L924 WeakPolarHBondContact O-CG 3.49Å; V920-L924 PolarHBondContact O-N 3.14Å; I921-L924 PolarHBondContact O-N 2.94Å; E922-L924 PolarHBondContact O-N 3.25Å; L924-N926 VanDerWaalsContact C-N 3.34Å; L924-L927 WeakPolarHBondContact O-CB 3.26Å; L924-L927 PolarHBondContact O-N 3.11Å; L924-L927 VanDerWaalsContact O-N 3.16Å; L924-H928 PolarHBondContact O-N 3.27Å; L924-L1420 HydrophobicContact CB-CD1 3.81Å; L924-L1420 HydrophobicContact CD1-CD1 4.45Å; L924-L1420 HydrophobicContact CG-CD1 4.14Å |
| 925 | L | 90.8 | Very high | 86.2 | Confident | 0.5 Ų | 0.5 | 32.8 Ų | 32.8 | 0% | 0.003 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.6 | -32.8 | 179 | -63.3 | -178.1 | 0 | 0 | 0 | 112.1 | L901 T908 I911 I921 E922 R923 L927 H928 M931 V934 V936 F949 | L901-L925 HydrophobicContact CD1-CD2 4.29Å; T908-L925 HydrophobicContact CG2-CD2 4.01Å; I911-L925 HydrophobicContact CD1-CD2 4.05Å; I921-L925 HydrophobicContact CG2-CD1 3.73Å; I921-L925 HydrophobicContact CG2-CG 4.03Å; I921-L925 WeakPolarHBondContact O-CB 3.33Å; I921-L925 VanDerWaalsContact O-CG 3.27Å; I921-L925 WeakPolarHBondContact O-CG 3.27Å; I921-L925 PolarHBondContact O-N 2.95Å; E922-L925 PolarHBondContact O-N 3.25Å; R923-L925 VanDerWaalsContact C-N 3.34Å; R923-L925 PolarHBondContact O-N 2.96Å; L925-L927 VanDerWaalsContact C-N 3.3Å; L925-L927 PolarHBondContact O-N 3.01Å; L925-H928 WeakPolarHBondContact O-CB 3.33Å; L925-H928 PolarHBondContact O-N 2.92Å; L925-H928 VanDerWaalsContact O-N 3.1Å; L925-M931 HydrophobicContact CB-CE 4.23Å; L925-M931 HydrophobicContact CB-SD 4.42Å; L925-M931 HydrophobicContact CD1-CE 4.21Å; L925-M931 HydrophobicContact CD2-CE 4.01Å; L925-M931 HydrophobicContact CD2-SD 4.08Å; L925-M931 HydrophobicContact CG-CE 4.33Å; L925-V934 HydrophobicContact CB-CB 4.12Å; L925-V934 HydrophobicContact CB-CG1 4.09Å; L925-V934 HydrophobicContact CB-CG2 3.98Å; L925-V934 HydrophobicContact CD1-CG1 4.03Å; L925-V936 HydrophobicContact CD1-CG2 4.2Å; L925-F949 HydrophobicContact CD1-CD1 4.24Å; L925-F949 HydrophobicContact CD1-CD2 4.29Å; L925-F949 HydrophobicContact CD1-CE1 4.35Å; L925-F949 HydrophobicContact CD1-CE2 4.42Å; L925-F949 HydrophobicContact CD1-CG 4.15Å; L925-F949 HydrophobicContact CD1-CZ 4.3Å |
| 926 | N | 88.3 | Confident | 86.8 | Confident | 32.5 Ų | 32.5 | 29.2 Ų | 29.2 | 17% | 0.174 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.8 | -26.8 | 171.2 | -81 | -41.7 | 0 | 0 | 0 | 112.4 | E922 R923 L924 H928 G932 T933 V934 K1389 | E922-N926 WeakPolarHBondContact CG-ND2 3.33Å; E922-N926 VanDerWaalsContact O-CB 3.25Å; E922-N926 WeakPolarHBondContact O-CB 3.36Å; E922-N926 PolarHBondContact O-N 2.98Å; E922-N926 PolarHBondContact O-ND2 3.01Å; E922-N926 VanDerWaalsContact O-ND2 3.15Å; E922-N926 PolarHBondContact O-OD1 2.9Å; R923-N926 PolarHBondContact O-N 3.18Å; L924-N926 VanDerWaalsContact C-N 3.34Å; N926-H928 VanDerWaalsContact C-N 3.28Å; N926-H928 PolarHBondContact O-N 2.86Å; N926-G932 PolarHBondContact OD1-O 3.11Å; N926-T933 VanDerWaalsContact OD1-CA 3.27Å; N926-T933 WeakPolarHBondContact OD1-CA 3.35Å; N926-V934 PolarHBondContact ND2-O 2.76Å; N926-V934 PolarHBondContact OD1-N 3.08Å; N926-K1389 WeakPolarHBondContact O-CD 3.32Å; N926-K1389 WeakPolarHBondContact O-CE 3.31Å; N926-K1389 PolarHBondContact O-NZ 3.17Å |
| 927 | L | 86.8 | Confident | 87.3 | Confident | 24.25 Ų | 24.25 | 31.5 Ų | 31.5 | 13% | 0.127 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -10.5 | 173.3 | -67.9 | 166.8 | 0 | 0 | 0 | 112.8 | R923 L924 L925 K1389 T1390 L1420 T1462 I1464 | R923-L927 WeakPolarHBondContact O-CD1 3.42Å; R923-L927 VanDerWaalsContact O-CG 3.26Å; R923-L927 WeakPolarHBondContact O-CG 3.35Å; R923-L927 PolarHBondContact O-N 3.09Å; L924-L927 WeakPolarHBondContact O-CB 3.26Å; L924-L927 PolarHBondContact O-N 3.11Å; L924-L927 VanDerWaalsContact O-N 3.16Å; L925-L927 VanDerWaalsContact C-N 3.3Å; L925-L927 PolarHBondContact O-N 3.01Å; L927-K1389 HydrophobicContact CD2-CB 3.9Å; L927-K1389 HydrophobicContact CD2-CD 4.39Å; L927-K1389 HydrophobicContact CD2-CG 4.23Å; L927-K1389 WeakPolarHBondContact O-CG 3.45Å; L927-T1390 WeakPolarHBondContact O-CB 3.22Å; L927-T1390 PolarHBondContact O-OG1 3.03Å; L927-L1420 HydrophobicContact CD1-CD1 3.73Å; L927-L1420 HydrophobicContact CD1-CD2 3.78Å; L927-L1420 HydrophobicContact CD1-CG 4.42Å; L927-T1462 VanDerWaalsContact CD2-O 3.28Å; L927-T1462 WeakPolarHBondContact CD2-O 3.3Å; L927-I1464 HydrophobicContact CB-CD1 3.97Å; L927-I1464 HydrophobicContact CB-CG1 4.34Å; L927-I1464 HydrophobicContact CD1-CD1 3.95Å; L927-I1464 HydrophobicContact CD1-CG1 3.87Å; L927-I1464 HydrophobicContact CG-CD1 4.47Å; L927-I1464 HydrophobicContact CG-CG1 4.44Å |
| 928 | H | 89.2 | Confident | 87.7 | Confident | 6.75 Ų | 6.75 | 31.3 Ų | 31.3 | 3% | 0.031 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -69.6 | 127.6 | 175.5 | -172.7 | -87.4 | 0 | 0 | 0 | 110.6 | V906 P907 T908 L924 L925 N926 L930 M931 K1389 | V906-H928 WeakPolarHBondContact CB-NE2 2.84Å; V906-H928 WeakPolarHBondContact CG1-NE2 3.34Å; V906-H928 PolarHBondContact O-NE2 2.76Å; V906-H928 VanDerWaalsContact O-NE2 3.15Å; P907-H928 PolarHBondContact O-CD2 2.84Å; T908-H928 HydrophobicContact CG2-CB 4.38Å; L924-H928 PolarHBondContact O-N 3.27Å; L925-H928 WeakPolarHBondContact O-CB 3.33Å; L925-H928 PolarHBondContact O-N 2.92Å; L925-H928 VanDerWaalsContact O-N 3.1Å; N926-H928 VanDerWaalsContact C-N 3.28Å; N926-H928 PolarHBondContact O-N 2.86Å; H928-L930 PolarHBondContact ND1-N 3.1Å; H928-L930 VanDerWaalsContact ND1-N 3.18Å; H928-L930 PolarHBondContact O-N 2.94Å; H928-L930 VanDerWaalsContact O-N 3.11Å; H928-M931 HydrophobicContact CB-CB 4.07Å; H928-M931 HydrophobicContact CB-CG 4.01Å; H928-M931 HydrophobicContact CB-SD 3.8Å; H928-M931 WeakPolarHBondContact ND1-CG 3.37Å; H928-M931 PolarHBondContact ND1-N 2.93Å; H928-M931 PolarHBondContact O-N 3.14Å; H928-K1389 WeakPolarHBondContact O-CE 3.34Å; H928-K1389 PolarHBondContact O-NZ 3.18Å |
| 929 | P | 84.4 | Confident | 87.8 | Confident | 73 Ų | 73 | 35.6 Ų | 35.6 | 47% | 0.474 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22 | -169.5 | 24.4 | -35.2 | 0 | 0 | 0 | 114.1 | V906 | V906-P929 HydrophobicContact CG1-CG 3.99Š|
| 930 | L | 89.4 | Confident | 88 | Confident | 69.75 Ų | 69.75 | 36.7 Ų | 36.7 | 37% | 0.365 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -9.2 | -176.1 | -56.7 | -178.1 | 0 | 0 | 0 | 115.2 | F903 K904 V906 H928 L954 | F903-L930 HydrophobicContact CD1-CB 4.05Å; F903-L930 HydrophobicContact CE1-CB 4.3Å; F903-L930 VanDerWaalsContact CE1-O 3.27Å; F903-L930 WeakPolarHBondContact CE1-O 3.27Å; K904-L930 HydrophobicContact CB-CD1 3.85Å; K904-L930 HydrophobicContact CD-CD1 4.46Å; V906-L930 HydrophobicContact CB-CD1 4.19Å; V906-L930 HydrophobicContact CG2-CD1 3.53Å; V906-L930 VanDerWaalsContact CG2-CD1 3.48Å; V906-L930 HydrophobicContact CG2-CG 4.32Å; H928-L930 PolarHBondContact ND1-N 3.1Å; H928-L930 VanDerWaalsContact ND1-N 3.18Å; H928-L930 PolarHBondContact O-N 2.94Å; H928-L930 VanDerWaalsContact O-N 3.11Å; L930-L954 WeakPolarHBondContact O-CD1 3.36Å |
| 931 | M | 91 | Very high | 87.8 | Confident | 0.75 Ų | 0.75 | 42.8 Ų | 42.8 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -14.6 | -173.4 | -75.1 | 174.4 | 81.2 | 0 | 0 | 113.8 | F903 T908 L925 H928 V934 F949 L951 L954 I961 | F903-M931 HydrophobicContact CB-CG 3.98Å; F903-M931 HydrophobicContact CB-SD 4.24Å; F903-M931 HydrophobicContact CD1-CB 4.41Å; F903-M931 HydrophobicContact CD1-CG 3.46Å; F903-M931 VanDerWaalsContact CD1-CG 3.44Å; F903-M931 HydrophobicContact CE1-CG 4.1Å; F903-M931 HydrophobicContact CG-CG 3.83Å; T908-M931 HydrophobicContact CG2-SD 4.28Å; L925-M931 HydrophobicContact CB-CE 4.23Å; L925-M931 HydrophobicContact CB-SD 4.42Å; L925-M931 HydrophobicContact CD1-CE 4.21Å; L925-M931 HydrophobicContact CD2-CE 4.01Å; L925-M931 HydrophobicContact CD2-SD 4.08Å; L925-M931 HydrophobicContact CG-CE 4.33Å; H928-M931 HydrophobicContact CB-CB 4.07Å; H928-M931 HydrophobicContact CB-CG 4.01Å; H928-M931 HydrophobicContact CB-SD 3.8Å; H928-M931 WeakPolarHBondContact ND1-CG 3.37Å; H928-M931 PolarHBondContact ND1-N 2.93Å; H928-M931 PolarHBondContact O-N 3.14Å; M931-V934 HydrophobicContact CB-CG2 3.92Å; M931-V934 HydrophobicContact CE-CG2 4.31Å; M931-F949 HydrophobicContact CE-CD2 4.39Å; M931-F949 HydrophobicContact CE-CE2 3.81Å; M931-F949 HydrophobicContact CE-CZ 4.14Å; M931-L951 HydrophobicContact CB-CD2 4.24Å; M931-L951 HydrophobicContact CE-CD2 3.87Å; M931-L951 HydrophobicContact CG-CD2 4.38Å; M931-L954 WeakPolarHBondContact O-CD1 3.4Å; M931-I961 HydrophobicContact CE-CD1 4.06Å |
| 932 | G | 86.8 | Confident | 87.5 | Confident | 19.25 Ų | 19.25 | 43.2 Ų | 43.2 | 20% | 0.198 | 22% | 0.217 | C | C | . | . | trans | 68 | -150.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.3 | N926 V934 S953 | N926-G932 PolarHBondContact OD1-O 3.11Å; G932-V934 PolarHBondContact O-N 2.99Å; G932-S953 VanDerWaalsContact CA-OG 3.25Å; G932-S953 WeakPolarHBondContact CA-OG 3.34Å | ||
| 933 | T | 87.5 | Confident | 87.4 | Confident | 25.75 Ų | 25.75 | 41.8 Ų | 41.8 | 16% | 0.158 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -76.1 | 122.6 | 171.4 | -52.7 | 0 | 0 | 0 | 0 | 110 | Q468 N926 L951 E952 S953 S1378 | Q468-T933 VanDerWaalsContact NE2-CB 3.27Å; Q468-T933 PolarHBondContact NE2-OG1 3.25Å; N926-T933 VanDerWaalsContact OD1-CA 3.27Å; N926-T933 WeakPolarHBondContact OD1-CA 3.35Å; T933-L951 CarbonylContact O-C 3.51Å; T933-E952 PolarHBondContact O-N 3.01Å; T933-S953 PolarHBondContact N-OG 2.91Å; T933-S1378 WeakPolarHBondContact CG2-OG 3.41Å; T933-S1378 WeakPolarHBondContact OG1-CB 3.39Å; T933-S1378 PolarHBondContact OG1-OG 2.82Å |
| 934 | V | 90.8 | Very high | 87.6 | Confident | 2.5 Ų | 2.5 | 43.6 Ų | 43.6 | 2% | 0.015 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 135.9 | 177.5 | -172.6 | 0 | 0 | 0 | 0 | 109 | E922 L925 N926 M931 G932 V936 F949 W950 L951 | E922-V934 VanDerWaalsContact CG-O 3.26Å; E922-V934 WeakPolarHBondContact CG-O 3.33Å; L925-V934 HydrophobicContact CB-CB 4.12Å; L925-V934 HydrophobicContact CB-CG1 4.09Å; L925-V934 HydrophobicContact CB-CG2 3.98Å; L925-V934 HydrophobicContact CD1-CG1 4.03Å; N926-V934 PolarHBondContact ND2-O 2.76Å; N926-V934 PolarHBondContact OD1-N 3.08Å; M931-V934 HydrophobicContact CB-CG2 3.92Å; M931-V934 HydrophobicContact CE-CG2 4.31Å; G932-V934 PolarHBondContact O-N 2.99Å; V934-V936 HydrophobicContact CG1-CG2 3.99Å; V934-F949 HydrophobicContact CG1-CB 3.9Å; V934-F949 HydrophobicContact CG1-CD2 3.99Å; V934-F949 HydrophobicContact CG1-CG 4.3Å; V934-W950 VanDerWaalsContact CA-O 3.3Å; V934-W950 WeakPolarHBondContact CA-O 3.31Å; V934-L951 HydrophobicContact CG1-CD2 4.36Å; V934-L951 HydrophobicContact CG2-CD2 3.76Å |
| 935 | R | 90.7 | Very high | 87.7 | Confident | 86.75 Ų | 86.75 | 43.2 Ų | 43.2 | 33% | 0.327 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 138.3 | 166 | -176.1 | 179.3 | 67.5 | -177.9 | 5 | 109.3 | E922 F949 W950 E952 | E922-R935 VanDerWaalsContact OE1-CA 3.31Å; E922-R935 WeakPolarHBondContact OE1-CA 3.38Å; E922-R935 WeakPolarHBondContact OE1-CG 3.36Å; E922-R935 VanDerWaalsContact OE2-CA 3.24Å; E922-R935 WeakPolarHBondContact OE2-CA 3.37Å; R935-F949 CarbonylContact O-C 3.49Å; R935-F949 WeakPolarHBondContact O-CA 3.34Å; R935-F949 VanDerWaalsContact O-CB 3.3Å; R935-F949 WeakPolarHBondContact O-CB 3.22Å; R935-W950 HydrophobicContact CB-CB 4.48Å; R935-W950 HydrophobicContact CB-CE3 4.26Å; R935-W950 HydrophobicContact CG-CE3 4.33Å; R935-W950 PolarHBondContact N-O 3.04Å; R935-W950 VanDerWaalsContact NE-CE3 3.33Å; R935-W950 VanDerWaalsContact NH1-CE3 3.26Å; R935-W950 VanDerWaalsContact NH2-CE2 3.3Å; R935-W950 PolarHBondContact O-N 2.99Å; R935-E952 HydrophobicContact CB-CG 4.3Å; R935-E952 WeakPolarHBondContact CD-OE1 3.18Å; R935-E952 IonicContact CZ-OE1 3.66Å; R935-E952 IonicContact NE-OE1 3.34Å; R935-E952 PolarHBondContact NE-OE1 3.23Å; R935-E952 IonicContact NH1-OE1 3.3Å; R935-E952 PolarHBondContact NH1-OE1 2.9Å; R935-E952 IonicContact NH2-OE1 2.9Å; R935-E952 PolarHBondContact NH2-OE1 3.16Å |
| 936 | V | 91.5 | Very high | 87.8 | Confident | 4.5 Ų | 4.5 | 46.5 Ų | 46.5 | 3% | 0.027 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 132.6 | -177.1 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | P918 I921 E922 L925 V934 Y947 N948 F949 | P918-V936 HydrophobicContact CB-CB 4.26Å; P918-V936 HydrophobicContact CB-CG1 4.12Å; P918-V936 WeakPolarHBondContact CB-O 3.28Å; P918-V936 WeakPolarHBondContact O-CB 3.4Å; I921-V936 HydrophobicContact CB-CG1 4.31Å; I921-V936 HydrophobicContact CB-CG2 4.33Å; I921-V936 HydrophobicContact CG2-CG1 4.18Å; I921-V936 HydrophobicContact CG2-CG2 4.11Å; E922-V936 VanDerWaalsContact CA-CG2 3.47Å; E922-V936 HydrophobicContact CB-CB 4.12Å; E922-V936 HydrophobicContact CB-CG2 3.9Å; E922-V936 HydrophobicContact CG-CB 3.67Å; E922-V936 HydrophobicContact CG-CG2 4Å; E922-V936 PolarHBondContact OE1-N 3.13Å; E922-V936 PolarHBondContact OE2-N 3.15Å; L925-V936 HydrophobicContact CD1-CG2 4.2Å; V934-V936 HydrophobicContact CG1-CG2 3.99Å; V936-Y947 HydrophobicContact CG1-CD1 4.05Å; V936-Y947 HydrophobicContact CG1-CG 4.44Å; V936-N948 CarbonylContact C-O 3.57Å; V936-N948 VanDerWaalsContact CA-O 3.3Å; V936-N948 WeakPolarHBondContact CA-O 3.41Å; V936-F949 HydrophobicContact CB-CB 4.36Å; V936-F949 HydrophobicContact CG1-CB 4.39Å; V936-F949 HydrophobicContact CG2-CB 3.85Å |
| 937 | N | 90 | Very high | 88 | Confident | 62 Ų | 62 | 45.6 Ų | 45.6 | 33% | 0.332 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 146.2 | 164.9 | -75.3 | -2.9 | 0 | 0 | 0 | 109.6 | Y939 Y947 N948 W950 | N937-Y939 HydrophobicContact CB-CE2 3.97Å; N937-Y939 PolarHBondContact ND2-OH 3.26Å; N937-Y947 CarbonylContact O-C 3.45Å; N937-Y947 WeakPolarHBondContact O-CA 3.29Å; N937-N948 HydrophobicContact CB-CB 4.43Å; N937-N948 PolarHBondContact N-O 3.14Å; N937-N948 PolarHBondContact O-N 3.11Å; N937-W950 HydrophobicContact CB-CH2 4.03Å; N937-W950 HydrophobicContact CB-CZ3 3.91Å; N937-W950 WeakPolarHBondContact ND2-CH2 3.41Å |
| 938 | R | 87 | Confident | 88.3 | Confident | 45.5 Ų | 45.5 | 46.1 Ų | 46.1 | 17% | 0.172 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 143 | 175.9 | -173.6 | -176 | 74.5 | 85.5 | -2 | 111 | E788 Y915 M916 E917 P918 G940 F945 Q946 Y947 | E788-R938 IonicContact OE1-NH2 2.99Å; E788-R938 PolarHBondContact OE1-NH2 3.29Å; Y915-R938 VanDerWaalsContact CD2-NH1 3.26Å; Y915-R938 VanDerWaalsContact CE2-CZ 3.42Å; Y915-R938 VanDerWaalsContact CE2-NH1 3.3Å; Y915-R938 VanDerWaalsContact CZ-CZ 3.42Å; Y915-R938 PolarHBondContact O-NH1 2.85Å; Y915-R938 PolarHBondContact OH-NE 3.02Å; Y915-R938 PolarHBondContact OH-NH1 2.81Å; Y915-R938 PolarHBondContact OH-NH2 2.86Å; Y915-R938 VanDerWaalsContact OH-NH2 3.14Å; M916-R938 VanDerWaalsContact C-NH1 3.26Å; M916-R938 VanDerWaalsContact O-CD 3.26Å; M916-R938 WeakPolarHBondContact O-CD 3Å; M916-R938 PolarHBondContact O-NE 3.14Å; M916-R938 PolarHBondContact O-NH1 2.94Å; E917-R938 IonicContact OE1-CZ 3.16Å; E917-R938 IonicContact OE1-NE 2.84Å; E917-R938 IonicContact OE1-NH1 2.71Å; E917-R938 IonicContact OE1-NH2 2.84Å; E917-R938 PolarHBondContact OE1-NH2 3.14Å; E917-R938 IonicContact OE2-NH2 3.57Å; E917-R938 PolarHBondContact OE2-NH2 3.02Å; P918-R938 HydrophobicContact CB-CB 4.11Å; P918-R938 HydrophobicContact CG-CB 4.08Å; R938-G940 PolarHBondContact NH1-O 2.88Å; R938-F945 HydrophobicContact CG-CB 4.49Å; R938-Q946 CarbonylContact C-O 3.56Å; R938-Q946 VanDerWaalsContact CA-O 3.26Å; R938-Q946 WeakPolarHBondContact CA-O 3.4Å; R938-Q946 WeakPolarHBondContact CG-O 3.41Å; R938-Y947 HydrophobicContact CB-CD1 3.83Å; R938-Y947 HydrophobicContact CB-CE1 3.88Å; R938-Y947 VanDerWaalsContact CD-CE1 3.47Å; R938-Y947 HydrophobicContact CG-CD1 3.82Å; R938-Y947 HydrophobicContact CG-CE1 3.57Å; R938-Y947 VanDerWaalsContact CG-CE1 3.4Å |
| 939 | Y | 87 | Confident | 88.5 | Confident | 116 Ų | 116 | 46.5 Ų | 46.5 | 46% | 0.455 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 156.8 | 172.6 | -56.1 | -85.8 | 0 | 0 | 0 | 110.2 | N937 F945 Q946 N948 | N937-Y939 HydrophobicContact CB-CE2 3.97Å; N937-Y939 PolarHBondContact ND2-OH 3.26Å; Y939-F945 CarbonylContact O-C 3.5Å; Y939-F945 VanDerWaalsContact O-CA 3.24Å; Y939-F945 WeakPolarHBondContact O-CA 3.34Å; Y939-F945 VanDerWaalsContact O-CB 3.26Å; Y939-F945 WeakPolarHBondContact O-CB 3.43Å; Y939-Q946 HydrophobicContact CD2-CG 4.39Å; Y939-Q946 PolarHBondContact N-O 3.2Å; Y939-Q946 PolarHBondContact O-N 3.14Å; Y939-N948 HydrophobicContact CD2-CB 4.43Å; Y939-N948 HydrophobicContact CE2-CB 4.18Å; Y939-N948 VanDerWaalsContact CE2-ND2 3.25Å; Y939-N948 WeakPolarHBondContact CE2-ND2 3.4Å |
| 940 | G | 84.4 | Confident | 88.9 | Confident | 45.25 Ų | 45.25 | 45.7 Ų | 45.7 | 47% | 0.466 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 75.6 | -173.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y915 R938 N944 | Y915-G940 PolarHBondContact OH-O 3.16Å; R938-G940 PolarHBondContact NH1-O 2.88Å; G940-N944 CarbonylContact C-O 3.34Å; G940-N944 VanDerWaalsContact CA-O 3.29Å; G940-N944 WeakPolarHBondContact CA-O 3.32Å |
| 941 | W | 79.4 | Confident | 89.1 | Confident | 143.25 Ų | 143.25 | 42.8 Ų | 42.8 | 54% | 0.543 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 155.6 | -173.8 | 175.3 | 65.3 | 0 | 0 | 0 | 111.5 | K843 S844 C845 Y915 R943 N944 F945 | K843-W941 HydrophobicContact CG-CH2 4.35Å; K843-W941 HydrophobicContact CG-CZ2 4.5Å; K843-W941 HydrophobicContact CG-CZ3 4.43Å; K843-W941 WeakPolarHBondContact O-CH2 3.49Å; K843-W941 WeakPolarHBondContact O-CZ2 3.13Å; K843-W941 WeakPolarHBondContact O-CZ3 3.21Å; S844-W941 VanDerWaalsContact C-CH2 3.44Å; S844-W941 VanDerWaalsContact CA-CH2 3.47Å; S844-W941 VanDerWaalsContact CB-CH2 3.45Å; S844-W941 WeakPolarHBondContact OG-CH2 3.41Å; C845-W941 HydrophobicContact CB-CH2 3.68Å; C845-W941 HydrophobicContact CB-CZ3 4Å; C845-W941 WeakPolarHBondContact SG-CZ3 3.43Å; Y915-W941 AromaticContact CD2-CD1 3.4Å; Y915-W941 VanDerWaalsContact CD2-CD1 3.4Å; Y915-W941 AromaticContact CE1-NE1 3.93Å; Y915-W941 HydrophobicContact CE2-CB 4.43Å; Y915-W941 AromaticContact CE2-CD1 3.58Å; Y915-W941 VanDerWaalsContact CE2-CD1 3.43Å; Y915-W941 HydrophobicContact CE2-CG 4.22Å; Y915-W941 AromaticContact CZ-CD1 3.46Å; Y915-W941 VanDerWaalsContact CZ-CD1 3.46Å; Y915-W941 AromaticContact CZ-NE1 3.68Å; Y915-W941 VanDerWaalsContact OH-CD1 3.22Å; W941-R943 PolarHBondContact O-N 2.94Å; W941-N944 PolarHBondContact N-O 3.19Å; W941-N944 CarbonylContact O-C 3.56Å; W941-N944 PolarHBondContact O-N 3.05Å; W941-N944 VanDerWaalsContact O-N 3.12Å; W941-N944 VanDerWaalsContact O-O 3.05Å; W941-F945 WeakPolarHBondContact O-CD1 3.43Å |
| 942 | C | 82.5 | Confident | 89 | Confident | 11.75 Ų | 11.75 | 44.8 Ų | 44.8 | 8% | 0.079 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 27.4 | -67.6 | 175.5 | 157.5 | 0 | 0 | 0 | 0 | 118.6 | C845 I895 Y915 F945 | C845-C942 HydrophobicContact CB-CB 3.89Å; C845-C942 WeakPolarHBondContact CB-SG 3.46Å; C845-C942 WeakPolarHBondContact SG-CB 3.39Å; C845-C942 CovalentContact SG-SG 1.98Å; C845-C942 PolarHBondContact SG-SG 2.95Å; I895-C942 WeakPolarHBondContact CB-O 3.34Å; I895-C942 WeakPolarHBondContact CD1-O 3.24Å; I895-C942 PolarHBondContact N-O 3.21Å; Y915-C942 VanDerWaalsContact CB-CB 3.43Å; Y915-C942 HydrophobicContact CD1-CB 3.91Å; Y915-C942 HydrophobicContact CD2-CB 4.06Å; Y915-C942 HydrophobicContact CG-CB 3.54Å; C942-F945 WeakPolarHBondContact O-CD1 3.4Å; C942-F945 VanDerWaalsContact O-CE1 3.26Å; C942-F945 WeakPolarHBondContact O-CE1 3.43Å |
| 943 | R | 85.8 | Confident | 89.1 | Confident | 27.25 Ų | 27.25 | 45.5 Ų | 45.5 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -12.2 | -178.2 | -67.7 | 168.6 | -166.6 | -162.8 | -0.4 | 112.8 | K483 S484 D486 N487 C845 S892 I895 W941 | K483-R943 CarbonylContact C-O 3.55Å; K483-R943 VanDerWaalsContact CA-O 3.29Å; K483-R943 WeakPolarHBondContact CA-O 3.28Å; S484-R943 PolarHBondContact N-O 3.1Å; D486-R943 VanDerWaalsContact OD1-CD 3.31Å; D486-R943 WeakPolarHBondContact OD1-CD 3.49Å; D486-R943 IonicContact OD1-CZ 3.23Å; D486-R943 IonicContact OD1-NE 3.37Å; D486-R943 IonicContact OD1-NH1 3.39Å; D486-R943 PolarHBondContact OD1-NH1 2.91Å; N487-R943 VanDerWaalsContact N-NH1 3.15Å; N487-R943 PolarHBondContact O-NH1 3.01Å; N487-R943 PolarHBondContact O-NH2 3.26Å; C845-R943 PolarHBondContact O-NH2 3.14Å; S892-R943 VanDerWaalsContact CB-CZ 3.49Å; S892-R943 VanDerWaalsContact CB-NH1 3.3Å; S892-R943 PolarHBondContact O-NE 3.26Å; S892-R943 VanDerWaalsContact O-NE 3.15Å; S892-R943 PolarHBondContact O-NH1 3.08Å; S892-R943 PolarHBondContact O-NH2 3.1Å; S892-R943 PolarHBondContact OG-NH1 2.96Å; I895-R943 WeakPolarHBondContact CD1-O 3.34Å; W941-R943 PolarHBondContact O-N 2.94Å |
| 944 | N | 88.8 | Confident | 89.3 | Confident | 99.25 Ų | 99.25 | 45.8 Ų | 45.8 | 53% | 0.531 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 104.4 | 175.4 | -177.7 | 2.9 | 0 | 0 | 0 | 109.3 | I482 K483 G940 W941 | I482-N944 WeakPolarHBondContact O-CA 3.29Å; K483-N944 WeakPolarHBondContact CE-OD1 3.49Å; K483-N944 HydrophobicContact CG-CB 4.4Å; K483-N944 WeakPolarHBondContact CG-OD1 3.4Å; G940-N944 CarbonylContact C-O 3.34Å; G940-N944 VanDerWaalsContact CA-O 3.29Å; G940-N944 WeakPolarHBondContact CA-O 3.32Å; W941-N944 PolarHBondContact N-O 3.19Å; W941-N944 CarbonylContact O-C 3.56Å; W941-N944 PolarHBondContact O-N 3.05Å; W941-N944 VanDerWaalsContact O-N 3.12Å; W941-N944 VanDerWaalsContact O-O 3.05Å |
| 945 | F | 89.8 | Confident | 89.3 | Confident | 10 Ų | 10 | 48.2 Ų | 48.2 | 4% | 0.044 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 160.2 | 178.8 | 60.7 | -89.1 | 0 | 0 | 0 | 111.5 | I482 I895 A913 Y915 R938 Y939 W941 C942 Y947 | I482-F945 HydrophobicContact CB-CD2 4.49Å; I482-F945 HydrophobicContact CB-CE1 4.45Å; I482-F945 HydrophobicContact CB-CE2 4Å; I482-F945 HydrophobicContact CB-CZ 3.95Å; I482-F945 HydrophobicContact CD1-CE2 3.69Å; I482-F945 HydrophobicContact CD1-CZ 3.94Å; I482-F945 HydrophobicContact CG1-CE2 3.97Å; I482-F945 HydrophobicContact CG1-CZ 4.29Å; I482-F945 HydrophobicContact CG2-CZ 4.4Å; I482-F945 PolarHBondContact N-O 2.83Å; I482-F945 PolarHBondContact O-N 3.07Å; I895-F945 HydrophobicContact CB-CE1 4.2Å; I895-F945 HydrophobicContact CD1-CD1 4.42Å; I895-F945 HydrophobicContact CD1-CE1 3.93Å; I895-F945 HydrophobicContact CD1-CZ 4.48Å; I895-F945 HydrophobicContact CG1-CE1 4.47Å; I895-F945 HydrophobicContact CG2-CE1 4.18Å; I895-F945 HydrophobicContact CG2-CZ 4.36Å; A913-F945 VanDerWaalsContact O-CZ 3.27Å; A913-F945 WeakPolarHBondContact O-CZ 3.34Å; Y915-F945 HydrophobicContact CD2-CB 4.13Å; Y915-F945 AromaticContact CD2-CD1 3.55Å; Y915-F945 HydrophobicContact CD2-CD1 3.88Å; Y915-F945 HydrophobicContact CD2-CD2 4.44Å; Y915-F945 HydrophobicContact CD2-CE1 4.08Å; Y915-F945 AromaticContact CD2-CG 3.73Å; Y915-F945 HydrophobicContact CD2-CG 3.9Å; Y915-F945 HydrophobicContact CE2-CB 3.85Å; Y915-F945 HydrophobicContact CE2-CD1 4.26Å; Y915-F945 HydrophobicContact CE2-CG 4.12Å; R938-F945 HydrophobicContact CG-CB 4.49Å; Y939-F945 CarbonylContact O-C 3.5Å; Y939-F945 VanDerWaalsContact O-CA 3.24Å; Y939-F945 WeakPolarHBondContact O-CA 3.34Å; Y939-F945 VanDerWaalsContact O-CB 3.26Å; Y939-F945 WeakPolarHBondContact O-CB 3.43Å; W941-F945 WeakPolarHBondContact O-CD1 3.43Å; C942-F945 WeakPolarHBondContact O-CD1 3.4Å; C942-F945 VanDerWaalsContact O-CE1 3.26Å; C942-F945 WeakPolarHBondContact O-CE1 3.43Å; F945-Y947 HydrophobicContact CD2-CD2 4.33Å; F945-Y947 AromaticContact CD2-CE2 3.69Å; F945-Y947 HydrophobicContact CD2-CE2 3.77Å; F945-Y947 AromaticContact CD2-CZ 3.89Å; F945-Y947 HydrophobicContact CE2-CD2 4.38Å; F945-Y947 AromaticContact CE2-CE2 3.49Å; F945-Y947 HydrophobicContact CE2-CE2 3.49Å; F945-Y947 VanDerWaalsContact CE2-CE2 3.47Å; F945-Y947 AromaticContact CE2-CZ 3.67Å; F945-Y947 WeakPolarHBondContact CE2-OH 3.26Å |
| 946 | Q | 92.1 | Very high | 89.3 | Confident | 71.5 Ų | 71.5 | 44.4 Ų | 44.4 | 33% | 0.334 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 143.3 | -175.3 | -37.6 | -173.8 | -26.8 | 0 | 0 | 110.6 | L479 I480 S481 R938 Y939 | L479-Q946 HydrophobicContact CD1-CB 3.78Å; L479-Q946 HydrophobicContact CD1-CG 4.06Å; L479-Q946 HydrophobicContact CG-CB 4.5Å; I480-Q946 CarbonylContact O-C 3.32Å; I480-Q946 WeakPolarHBondContact O-CA 3.42Å; I480-Q946 WeakPolarHBondContact O-CB 3.37Å; S481-Q946 WeakPolarHBondContact OG-CG 3Å; S481-Q946 PolarHBondContact OG-NE2 3.03Å; R938-Q946 CarbonylContact C-O 3.56Å; R938-Q946 VanDerWaalsContact CA-O 3.26Å; R938-Q946 WeakPolarHBondContact CA-O 3.4Å; R938-Q946 WeakPolarHBondContact CG-O 3.41Å; Y939-Q946 HydrophobicContact CD2-CG 4.39Å; Y939-Q946 PolarHBondContact N-O 3.2Å; Y939-Q946 PolarHBondContact O-N 3.14Å |
| 947 | Y | 92.5 | Very high | 89.3 | Confident | 12 Ų | 12 | 47.7 Ų | 47.7 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 117.7 | 170.4 | -60.8 | -72.7 | 0 | 0 | 0 | 109.2 | L479 I480 I482 F899 M916 I921 V936 N937 R938 F945 | L479-Y947 WeakPolarHBondContact CA-O 3.24Å; I480-Y947 HydrophobicContact CB-CD2 4.49Å; I480-Y947 HydrophobicContact CG2-CD2 4.37Å; I480-Y947 PolarHBondContact N-O 3.03Å; I480-Y947 PolarHBondContact O-N 2.75Å; I482-Y947 HydrophobicContact CD1-CE2 4.3Å; F899-Y947 HydrophobicContact CZ-CE2 4.4Å; M916-Y947 PolarHBondContact N-OH 3.09Å; M916-Y947 VanDerWaalsContact N-OH 3.16Å; M916-Y947 PolarHBondContact O-OH 3.15Å; M916-Y947 VanDerWaalsContact O-OH 3.05Å; I921-Y947 HydrophobicContact CB-CE1 4.46Å; I921-Y947 HydrophobicContact CD1-CD1 3.54Å; I921-Y947 HydrophobicContact CD1-CD2 4.08Å; I921-Y947 HydrophobicContact CD1-CE1 3.52Å; I921-Y947 HydrophobicContact CD1-CE2 3.91Å; I921-Y947 VanDerWaalsContact CD1-CE2 3.41Å; I921-Y947 HydrophobicContact CD1-CG 4.12Å; I921-Y947 VanDerWaalsContact CD1-CZ 3.44Å; I921-Y947 WeakPolarHBondContact CD1-OH 2.93Å; I921-Y947 HydrophobicContact CG1-CD1 4.07Å; I921-Y947 HydrophobicContact CG1-CD2 4.17Å; I921-Y947 HydrophobicContact CG1-CE1 3.93Å; I921-Y947 HydrophobicContact CG1-CE2 3.95Å; I921-Y947 HydrophobicContact CG1-CG 4.23Å; V936-Y947 HydrophobicContact CG1-CD1 4.05Å; V936-Y947 HydrophobicContact CG1-CG 4.44Å; N937-Y947 CarbonylContact O-C 3.45Å; N937-Y947 WeakPolarHBondContact O-CA 3.29Å; R938-Y947 HydrophobicContact CB-CD1 3.83Å; R938-Y947 HydrophobicContact CB-CE1 3.88Å; R938-Y947 VanDerWaalsContact CD-CE1 3.47Å; R938-Y947 HydrophobicContact CG-CD1 3.82Å; R938-Y947 HydrophobicContact CG-CE1 3.57Å; R938-Y947 VanDerWaalsContact CG-CE1 3.4Å; F945-Y947 HydrophobicContact CD2-CD2 4.33Å; F945-Y947 AromaticContact CD2-CE2 3.69Å; F945-Y947 HydrophobicContact CD2-CE2 3.77Å; F945-Y947 AromaticContact CD2-CZ 3.89Å; F945-Y947 HydrophobicContact CE2-CD2 4.38Å; F945-Y947 AromaticContact CE2-CE2 3.49Å; F945-Y947 HydrophobicContact CE2-CE2 3.49Å; F945-Y947 VanDerWaalsContact CE2-CE2 3.47Å; F945-Y947 AromaticContact CE2-CZ 3.67Å; F945-Y947 WeakPolarHBondContact CE2-OH 3.26Å |
| 948 | N | 93.4 | Very high | 89.4 | Confident | 36 Ų | 36 | 45.6 Ų | 45.6 | 19% | 0.193 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 124.2 | 168.4 | -120.2 | 1.2 | 0 | 0 | 0 | 107.9 | Y478 L479 V936 N937 Y939 W950 S981 | Y478-N948 CarbonylContact O-C 3.58Å; Y478-N948 VanDerWaalsContact O-CA 3.3Å; Y478-N948 WeakPolarHBondContact O-CA 3.3Å; Y478-N948 PolarHBondContact O-OD1 3.47Å; Y478-N948 VanDerWaalsContact O-OD1 3.06Å; L479-N948 WeakPolarHBondContact CB-OD1 3.32Å; L479-N948 HydrophobicContact CD1-CB 3.96Å; L479-N948 WeakPolarHBondContact CD1-OD1 3.33Å; V936-N948 CarbonylContact C-O 3.57Å; V936-N948 VanDerWaalsContact CA-O 3.3Å; V936-N948 WeakPolarHBondContact CA-O 3.41Å; N937-N948 HydrophobicContact CB-CB 4.43Å; N937-N948 PolarHBondContact N-O 3.14Å; N937-N948 PolarHBondContact O-N 3.11Å; Y939-N948 HydrophobicContact CD2-CB 4.43Å; Y939-N948 HydrophobicContact CE2-CB 4.18Å; Y939-N948 VanDerWaalsContact CE2-ND2 3.25Å; Y939-N948 WeakPolarHBondContact CE2-ND2 3.4Å; N948-W950 HydrophobicContact CB-CH2 3.99Å; N948-W950 HydrophobicContact CB-CZ2 4.06Å; N948-W950 HydrophobicContact CB-CZ3 4.29Å; N948-W950 WeakPolarHBondContact ND2-CH2 3.37Å; N948-W950 VanDerWaalsContact ND2-CZ2 3.35Å; N948-W950 WeakPolarHBondContact ND2-CZ2 3.47Å; N948-W950 VanDerWaalsContact O-CZ3 3.29Å; N948-W950 WeakPolarHBondContact O-CZ3 3.24Å; N948-S981 PolarHBondContact OD1-OG 3.08Å |
| 949 | F | 92.9 | Very high | 89.6 | Confident | 15.5 Ų | 15.5 | 46.3 Ų | 46.3 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 149.7 | 178.2 | 65.7 | -90.8 | 0 | 0 | 0 | 112.9 | S477 Y478 I480 L925 M931 V934 R935 V936 L951 I961 I978 | S477-F949 CarbonylContact C-O 3.52Å; S477-F949 WeakPolarHBondContact CA-O 3.19Å; S477-F949 WeakPolarHBondContact CB-O 3.26Å; Y478-F949 VanDerWaalsContact CB-CZ 3.47Å; Y478-F949 AromaticContact CD2-CD2 3.88Å; Y478-F949 HydrophobicContact CD2-CD2 4.02Å; Y478-F949 AromaticContact CD2-CE2 3.34Å; Y478-F949 HydrophobicContact CD2-CE2 3.34Å; Y478-F949 VanDerWaalsContact CD2-CE2 3.47Å; Y478-F949 AromaticContact CD2-CZ 3.68Å; Y478-F949 HydrophobicContact CD2-CZ 3.68Å; Y478-F949 HydrophobicContact CE2-CE2 4.22Å; Y478-F949 HydrophobicContact CG-CD2 4.48Å; Y478-F949 HydrophobicContact CG-CE1 4.29Å; Y478-F949 AromaticContact CG-CE2 3.68Å; Y478-F949 HydrophobicContact CG-CE2 3.86Å; Y478-F949 AromaticContact CG-CZ 3.67Å; Y478-F949 HydrophobicContact CG-CZ 3.67Å; Y478-F949 PolarHBondContact N-O 2.97Å; Y478-F949 PolarHBondContact O-N 3.13Å; I480-F949 HydrophobicContact CD1-CD1 4.01Å; I480-F949 HydrophobicContact CD1-CE1 3.36Å; I480-F949 HydrophobicContact CD1-CZ 4.24Å; I480-F949 HydrophobicContact CG1-CD1 4.47Å; I480-F949 HydrophobicContact CG1-CE1 3.76Å; L925-F949 HydrophobicContact CD1-CD1 4.24Å; L925-F949 HydrophobicContact CD1-CD2 4.29Å; L925-F949 HydrophobicContact CD1-CE1 4.35Å; L925-F949 HydrophobicContact CD1-CE2 4.42Å; L925-F949 HydrophobicContact CD1-CG 4.15Å; L925-F949 HydrophobicContact CD1-CZ 4.3Å; M931-F949 HydrophobicContact CE-CD2 4.39Å; M931-F949 HydrophobicContact CE-CE2 3.81Å; M931-F949 HydrophobicContact CE-CZ 4.14Å; V934-F949 HydrophobicContact CG1-CB 3.9Å; V934-F949 HydrophobicContact CG1-CD2 3.99Å; V934-F949 HydrophobicContact CG1-CG 4.3Å; R935-F949 CarbonylContact O-C 3.49Å; R935-F949 WeakPolarHBondContact O-CA 3.34Å; R935-F949 VanDerWaalsContact O-CB 3.3Å; R935-F949 WeakPolarHBondContact O-CB 3.22Å; V936-F949 HydrophobicContact CB-CB 4.36Å; V936-F949 HydrophobicContact CG1-CB 4.39Å; V936-F949 HydrophobicContact CG2-CB 3.85Å; F949-L951 HydrophobicContact CD2-CD2 4.2Å; F949-L951 HydrophobicContact CE2-CD2 4.17Å; F949-I961 HydrophobicContact CE2-CD1 3.53Å; F949-I961 HydrophobicContact CZ-CD1 3.45Å; F949-I978 HydrophobicContact CE1-CD1 4.31Å; F949-I978 HydrophobicContact CZ-CD1 4.29Å |
| 950 | W | 93.4 | Very high | 89.8 | Confident | 54.25 Ų | 54.25 | 47.9 Ų | 47.9 | 21% | 0.205 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.2 | -176.9 | -61.5 | -95.9 | 0 | 0 | 0 | 109.8 | P475 V934 R935 N937 N948 E952 | P475-W950 HydrophobicContact CB-CB 4.43Å; P475-W950 HydrophobicContact CG-CB 4.02Å; P475-W950 HydrophobicContact CG-CG 4.39Å; V934-W950 VanDerWaalsContact CA-O 3.3Å; V934-W950 WeakPolarHBondContact CA-O 3.31Å; R935-W950 HydrophobicContact CB-CB 4.48Å; R935-W950 HydrophobicContact CB-CE3 4.26Å; R935-W950 HydrophobicContact CG-CE3 4.33Å; R935-W950 PolarHBondContact N-O 3.04Å; R935-W950 VanDerWaalsContact NE-CE3 3.33Å; R935-W950 VanDerWaalsContact NH1-CE3 3.26Å; R935-W950 VanDerWaalsContact NH2-CE2 3.3Å; R935-W950 PolarHBondContact O-N 2.99Å; N937-W950 HydrophobicContact CB-CH2 4.03Å; N937-W950 HydrophobicContact CB-CZ3 3.91Å; N937-W950 WeakPolarHBondContact ND2-CH2 3.41Å; N948-W950 HydrophobicContact CB-CH2 3.99Å; N948-W950 HydrophobicContact CB-CZ2 4.06Å; N948-W950 HydrophobicContact CB-CZ3 4.29Å; N948-W950 WeakPolarHBondContact ND2-CH2 3.37Å; N948-W950 VanDerWaalsContact ND2-CZ2 3.35Å; N948-W950 WeakPolarHBondContact ND2-CZ2 3.47Å; N948-W950 VanDerWaalsContact O-CZ3 3.29Å; N948-W950 WeakPolarHBondContact O-CZ3 3.24Å; W950-E952 HydrophobicContact CB-CG 4.22Å; W950-E952 PolarHBondContact O-N 3.09Å |
| 951 | L | 93.5 | Very high | 90.1 | Very high | 10.25 Ų | 10.25 | 46.3 Ų | 46.3 | 5% | 0.054 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 86.9 | 174.3 | -53.8 | -178.1 | 0 | 0 | 0 | 108.7 | P475 T476 Y478 F903 M931 T933 V934 F949 L954 Q958 | P475-L951 VanDerWaalsContact CB-O 3.26Å; P475-L951 WeakPolarHBondContact CB-O 3.24Å; T476-L951 PolarHBondContact O-N 3.22Å; Y478-L951 HydrophobicContact CE2-CD1 3.75Å; Y478-L951 HydrophobicContact CE2-CG 4.2Å; F903-L951 HydrophobicContact CE1-CD1 4.25Å; F903-L951 HydrophobicContact CE2-CD1 4.01Å; F903-L951 HydrophobicContact CZ-CD1 3.82Å; M931-L951 HydrophobicContact CB-CD2 4.24Å; M931-L951 HydrophobicContact CE-CD2 3.87Å; M931-L951 HydrophobicContact CG-CD2 4.38Å; T933-L951 CarbonylContact O-C 3.51Å; V934-L951 HydrophobicContact CG1-CD2 4.36Å; V934-L951 HydrophobicContact CG2-CD2 3.76Å; F949-L951 HydrophobicContact CD2-CD2 4.2Å; F949-L951 HydrophobicContact CE2-CD2 4.17Å; L951-L954 HydrophobicContact CB-CB 4.28Å; L951-L954 HydrophobicContact CB-CD1 4.18Å; L951-L954 HydrophobicContact CB-CG 4.34Å; L951-L954 HydrophobicContact CD1-CD1 4.02Å; L951-L954 PolarHBondContact O-N 3.32Å; L951-Q958 HydrophobicContact CD1-CB 4.12Å; L951-Q958 HydrophobicContact CD1-CG 4.01Å |
| 952 | E | 89.5 | Confident | 90.5 | Very high | 43.25 Ų | 43.25 | 42.3 Ų | 42.3 | 20% | 0.202 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -30.9 | -166.4 | -64.3 | -159.1 | 155.4 | 0 | 0 | 114.2 | Y467 Q468 T933 R935 W950 | Y467-E952 WeakPolarHBondContact CB-O 3.45Å; Y467-E952 HydrophobicContact CD1-CB 4.15Å; Y467-E952 HydrophobicContact CD1-CG 3.97Å; Y467-E952 HydrophobicContact CE1-CG 4.44Å; Y467-E952 WeakPolarHBondContact CE1-OE1 3.14Å; Y467-E952 PolarHBondContact N-O 3.08Å; Q468-E952 HydrophobicContact CG-CB 4.26Å; T933-E952 PolarHBondContact O-N 3.01Å; R935-E952 HydrophobicContact CB-CG 4.3Å; R935-E952 WeakPolarHBondContact CD-OE1 3.18Å; R935-E952 IonicContact CZ-OE1 3.66Å; R935-E952 IonicContact NE-OE1 3.34Å; R935-E952 PolarHBondContact NE-OE1 3.23Å; R935-E952 IonicContact NH1-OE1 3.3Å; R935-E952 PolarHBondContact NH1-OE1 2.9Å; R935-E952 IonicContact NH2-OE1 2.9Å; R935-E952 PolarHBondContact NH2-OE1 3.16Å; W950-E952 HydrophobicContact CB-CG 4.22Å; W950-E952 PolarHBondContact O-N 3.09Å |
| 953 | S | 88.6 | Confident | 90.7 | Very high | 34 Ų | 34 | 43.7 Ų | 43.7 | 24% | 0.238 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -93.8 | -5.5 | -178.3 | 75.5 | 0 | 0 | 0 | 0 | 114 | N466 G932 T933 | N466-S953 WeakPolarHBondContact CB-O 3.33Å; N466-S953 PolarHBondContact ND2-O 3.09Å; G932-S953 VanDerWaalsContact CA-OG 3.25Å; G932-S953 WeakPolarHBondContact CA-OG 3.34Å; T933-S953 PolarHBondContact N-OG 2.91Å |
| 954 | L | 91.3 | Very high | 90.3 | Very high | 30.75 Ų | 30.75 | 46.2 Ų | 46.2 | 16% | 0.161 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -94.8 | 126.4 | 178.1 | -62.6 | -174.1 | 0 | 0 | 0 | 110.3 | F903 L930 M931 L951 Q958 | F903-L954 HydrophobicContact CE1-CD1 3.85Å; F903-L954 HydrophobicContact CZ-CD1 3.87Å; L930-L954 WeakPolarHBondContact O-CD1 3.36Å; M931-L954 WeakPolarHBondContact O-CD1 3.4Å; L951-L954 HydrophobicContact CB-CB 4.28Å; L951-L954 HydrophobicContact CB-CD1 4.18Å; L951-L954 HydrophobicContact CB-CG 4.34Å; L951-L954 HydrophobicContact CD1-CD1 4.02Å; L951-L954 PolarHBondContact O-N 3.32Å; L954-Q958 HydrophobicContact CB-CG 4.16Å; L954-Q958 HydrophobicContact CD1-CG 4.12Å |
| 955 | P | 90.5 | Very high | 89.1 | Confident | 53 Ų | 53 | 45.7 Ų | 45.7 | 34% | 0.344 | 25% | 0.245 | S | C | . | . | trans | -83.5 | 145.8 | -177.1 | 35.1 | -36.8 | 0 | 0 | 0 | 111.8 | T463 S464 L465 N466 Q958 L986 | T463-P955 WeakPolarHBondContact O-CB 3.39Å; S464-P955 VanDerWaalsContact C-CB 3.45Å; S464-P955 VanDerWaalsContact O-CB 3.31Å; S464-P955 WeakPolarHBondContact O-CB 3.37Å; L465-P955 VanDerWaalsContact C-CB 3.49Å; L465-P955 WeakPolarHBondContact O-CA 3.25Å; L465-P955 VanDerWaalsContact O-CB 3.29Å; L465-P955 WeakPolarHBondContact O-CB 3.15Å; N466-P955 HydrophobicContact CB-CB 4.21Å; P955-Q958 PolarHBondContact O-NE2 3.08Å; P955-L986 HydrophobicContact CB-CB 4.35Å; P955-L986 HydrophobicContact CB-CD1 3.71Å; P955-L986 HydrophobicContact CB-CG 4.5Å | ||
| 956 | G | 91.1 | Very high | 87.6 | Confident | 7 Ų | 7 | 51.5 Ų | 51.5 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 64.6 | -167.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S461 T476 Q958 G984 E985 | S461-G956 CarbonylContact O-C 3.43Å; S461-G956 VanDerWaalsContact O-CA 3.23Å; S461-G956 WeakPolarHBondContact O-CA 3.21Å; T476-G956 PolarHBondContact OG1-O 3Å; G956-Q958 PolarHBondContact O-N 2.84Å; G956-Q958 PolarHBondContact O-NE2 3.03Å; G956-G984 CarbonylContact C-O 3.54Å; G956-G984 VanDerWaalsContact C-O 3.23Å; G956-G984 WeakPolarHBondContact CA-O 3.46Å; G956-G984 CarbonylContact O-C 3.45Å; G956-G984 WeakPolarHBondContact O-CA 3.32Å; G956-E985 PolarHBondContact N-O 3.21Å |
| 957 | D | 91.9 | Very high | 86 | Confident | 73.25 Ų | 73.25 | 51.6 Ų | 51.6 | 39% | 0.392 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 128.7 | -173.1 | -164.4 | 34.9 | 0 | 0 | 0 | 112.6 | S461 K980 I983 G984 | S461-D957 PolarHBondContact O-N 3.34Å; D957-K980 WeakPolarHBondContact OD1-CE 3.33Å; D957-K980 IonicContact OD1-NZ 3.28Å; D957-K980 PolarHBondContact OD1-NZ 3.03Å; D957-K980 IonicContact OD2-NZ 3.07Å; D957-K980 PolarHBondContact OD2-NZ 2.92Å; D957-I983 HydrophobicContact CB-CB 4.42Å; D957-I983 HydrophobicContact CB-CG2 3.84Å; D957-I983 WeakPolarHBondContact OD1-CA 3.18Å; D957-I983 WeakPolarHBondContact OD1-CB 3.12Å; D957-I983 WeakPolarHBondContact OD1-CG2 3.38Å; D957-G984 WeakPolarHBondContact CA-O 3.39Å; D957-G984 PolarHBondContact N-O 2.9Å; D957-G984 VanDerWaalsContact N-O 3.11Å; D957-G984 PolarHBondContact OD1-N 3.05Å; D957-G984 VanDerWaalsContact OD1-N 3.14Å |
| 958 | Q | 92.7 | Very high | 85.1 | Confident | 18.5 Ų | 18.5 | 57.7 Ų | 57.7 | 9% | 0.086 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -103.2 | 150.5 | -178.9 | -60.7 | -54.7 | -54.5 | 0 | 0 | 111.6 | T476 Y478 F903 L951 L954 P955 G956 K980 | T476-Q958 HydrophobicContact CG2-CB 3.96Å; T476-Q958 PolarHBondContact OG1-N 2.86Å; Y478-Q958 WeakPolarHBondContact OH-CB 3.03Å; Y478-Q958 PolarHBondContact OH-O 3.13Å; F903-Q958 HydrophobicContact CE2-CB 4.17Å; F903-Q958 HydrophobicContact CZ-CB 4.14Å; F903-Q958 HydrophobicContact CZ-CG 4.38Å; L951-Q958 HydrophobicContact CD1-CB 4.12Å; L951-Q958 HydrophobicContact CD1-CG 4.01Å; L954-Q958 HydrophobicContact CB-CG 4.16Å; L954-Q958 HydrophobicContact CD1-CG 4.12Å; P955-Q958 PolarHBondContact O-NE2 3.08Å; G956-Q958 PolarHBondContact O-N 2.84Å; G956-Q958 PolarHBondContact O-NE2 3.03Å; Q958-K980 WeakPolarHBondContact O-CE 3.28Å; Q958-K980 PolarHBondContact O-NZ 2.97Å |
| 959 | P | 91.5 | Very high | 84.7 | Confident | 60.75 Ų | 60.75 | 57.4 Ų | 57.4 | 39% | 0.394 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 157 | 179.3 | 27.7 | -34.4 | 0 | 0 | 0 | 112 | Y478 F903 K904 | Y478-P959 PolarHBondContact OH-O 3.02Å; F903-P959 HydrophobicContact CD2-CG 4.34Å; F903-P959 HydrophobicContact CE2-CG 3.95Å; F903-P959 WeakPolarHBondContact CE2-O 3.19Å; F903-P959 HydrophobicContact CZ-CG 4.42Å; K904-P959 HydrophobicContact CD-CG 4.38Å; K904-P959 HydrophobicContact CG-CG 3.65Å |
| 960 | E | 89.9 | Confident | 84.4 | Confident | 148.5 Ų | 148.5 | 61.2 Ų | 61.2 | 69% | 0.694 | 32% | 0.319 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 144.8 | 177.1 | -83.1 | -178.6 | 176.3 | 0 | 0 | 112 | I978 | E960-I978 HydrophobicContact CG-CG2 4.35Š|
| 961 | I | 91.4 | Very high | 84 | Confident | 11.5 Ų | 11.5 | 59.8 Ų | 59.8 | 6% | 0.059 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -93.3 | 132 | 174.6 | -68 | 166.2 | 0 | 0 | 0 | 107.4 | Y478 L901 S902 F903 M931 F949 I978 | Y478-I961 HydrophobicContact CD1-CD1 4.26Å; Y478-I961 HydrophobicContact CD2-CD1 3.75Å; Y478-I961 HydrophobicContact CE1-CD1 4.24Å; Y478-I961 HydrophobicContact CE1-CG1 4.27Å; Y478-I961 HydrophobicContact CE2-CD1 3.7Å; Y478-I961 HydrophobicContact CE2-CG1 4.42Å; Y478-I961 HydrophobicContact CG-CD1 4.03Å; L901-I961 HydrophobicContact CB-CG2 3.89Å; L901-I961 HydrophobicContact CD1-CG2 4.39Å; L901-I961 HydrophobicContact CD2-CG2 4.28Å; L901-I961 HydrophobicContact CG-CG2 4.42Å; S902-I961 WeakPolarHBondContact O-CA 3.28Å; S902-I961 WeakPolarHBondContact O-CG2 3.3Å; F903-I961 HydrophobicContact CB-CG1 4.26Å; F903-I961 HydrophobicContact CD2-CD1 4.09Å; F903-I961 HydrophobicContact CD2-CG1 3.57Å; F903-I961 HydrophobicContact CE2-CG1 4.36Å; F903-I961 HydrophobicContact CG-CG1 4.32Å; M931-I961 HydrophobicContact CE-CD1 4.06Å; F949-I961 HydrophobicContact CE2-CD1 3.53Å; F949-I961 HydrophobicContact CZ-CD1 3.45Å; I961-I978 HydrophobicContact CB-CD1 3.92Å; I961-I978 HydrophobicContact CB-CG2 4.36Å; I961-I978 HydrophobicContact CD1-CD1 4.42Å; I961-I978 HydrophobicContact CG2-CD1 3.72Å; I961-I978 WeakPolarHBondContact O-CD1 3.28Å; I961-I978 WeakPolarHBondContact O-CG2 3.29Å |
| 962 | S | 88.5 | Confident | 83.6 | Confident | 59.75 Ų | 59.75 | 62.2 Ų | 62.2 | 42% | 0.418 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 154.9 | 178.4 | 56.8 | 0 | 0 | 0 | 0 | 111.3 | L901 S902 | L901-S962 CarbonylContact C-O 3.53Å; L901-S962 WeakPolarHBondContact CA-O 3.21Å; S902-S962 VanDerWaalsContact CB-OG 3.28Å; S902-S962 WeakPolarHBondContact CB-OG 3.43Å; S902-S962 PolarHBondContact N-O 2.93Å; S902-S962 PolarHBondContact O-N 3.17Å |
| 963 | V | 86.7 | Confident | 83.5 | Confident | 40.75 Ų | 40.75 | 64.4 Ų | 64.4 | 25% | 0.247 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 117.4 | 166.6 | -176.1 | 0 | 0 | 0 | 0 | 107 | I900 L901 N965 E966 T967 I976 I978 | I900-V963 WeakPolarHBondContact O-CA 3.38Å; L901-V963 HydrophobicContact CD2-CG2 4.21Å; V963-N965 VanDerWaalsContact C-N 3.34Å; V963-E966 HydrophobicContact CG1-CG 3.86Å; V963-T967 HydrophobicContact CG1-CG2 3.45Å; V963-T967 VanDerWaalsContact CG1-CG2 3.45Å; V963-I976 HydrophobicContact CG1-CG2 4.25Å; V963-I976 HydrophobicContact CG2-CD1 4.28Å; V963-I976 HydrophobicContact CG2-CG1 4.26Å; V963-I976 HydrophobicContact CG2-CG2 4.16Å; V963-I978 HydrophobicContact CG2-CD1 3.56Å; V963-I978 HydrophobicContact CG2-CG1 4Å; V963-I978 HydrophobicContact CG2-CG2 4.18Å |
| 964 | I | 77.1 | Confident | 83.5 | Confident | 81.25 Ų | 81.25 | 64.3 Ų | 64.3 | 42% | 0.417 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -26.8 | -178.3 | -3.3 | 165.8 | 0 | 0 | 0 | 111.5 | I900 S902 P907 | I900-I964 HydrophobicContact CB-CG1 4.14Å; I900-I964 HydrophobicContact CG2-CB 4.47Å; I900-I964 HydrophobicContact CG2-CD1 4.05Å; I900-I964 HydrophobicContact CG2-CG1 3.73Å; I900-I964 WeakPolarHBondContact O-CG1 3.14Å; I900-I964 PolarHBondContact O-N 3.17Å; I900-I964 VanDerWaalsContact O-N 3.15Å; S902-I964 VanDerWaalsContact CB-CG1 3.43Å; S902-I964 VanDerWaalsContact CB-CG2 3.46Å; S902-I964 WeakPolarHBondContact OG-CD1 3.38Å; P907-I964 HydrophobicContact CB-CD1 3.71Å |
| 965 | N | 63 | Low | 83.4 | Confident | 87.25 Ų | 87.25 | 69 Ų | 69 | 47% | 0.467 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.8 | 124.4 | -179 | -151.6 | -17.9 | 0 | 0 | 0 | 111.4 | I900 V963 T967 | I900-N965 PolarHBondContact N-O 3.47Å; V963-N965 VanDerWaalsContact C-N 3.34Å; N965-T967 VanDerWaalsContact C-N 3.27Å; N965-T967 HydrophobicContact CB-CG2 3.88Å; N965-T967 PolarHBondContact ND2-OG1 2.98Å; N965-T967 PolarHBondContact O-N 3.11Å; N965-T967 VanDerWaalsContact O-N 3.15Å; N965-T967 VanDerWaalsContact OD1-CB 3.23Å; N965-T967 WeakPolarHBondContact OD1-CB 3.34Å; N965-T967 WeakPolarHBondContact OD1-CG2 3.38Å; N965-T967 PolarHBondContact OD1-N 3.45Å; N965-T967 PolarHBondContact OD1-OG1 3.04Å |
| 966 | E | 57.6 | Low | 83.3 | Confident | 132 Ų | 132 | 67.5 Ų | 67.5 | 62% | 0.617 | 36% | 0.363 | S | S | * | . | trans | -77.4 | 40.3 | 175.9 | -65.2 | -175.2 | 173.2 | 0 | 0 | 111.3 | V963 R968 L969 I976 | V963-E966 HydrophobicContact CG1-CG 3.86Å; E966-R968 VanDerWaalsContact C-N 3.28Å; E966-R968 PolarHBondContact O-N 2.85Å; E966-R968 VanDerWaalsContact O-N 3.15Å; E966-L969 HydrophobicContact CG-CD1 4.5Å; E966-L969 PolarHBondContact O-N 2.83Å; E966-L969 VanDerWaalsContact O-N 3.13Å; E966-I976 HydrophobicContact CG-CG2 4.11Å; E966-I976 WeakPolarHBondContact OE1-CG2 3.35Å | ||
| 967 | T | 58.6 | Low | 83.3 | Confident | 74 Ų | 74 | 71.1 Ų | 71.1 | 45% | 0.454 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | 52.7 | -163.2 | 50.7 | 0 | 0 | 0 | 0 | 114 | N898 F899 I900 V963 N965 L969 I976 | N898-T967 VanDerWaalsContact C-OG1 3.28Å; N898-T967 PolarHBondContact N-O 2.91Å; N898-T967 CarbonylContact O-C 3.51Å; N898-T967 VanDerWaalsContact O-C 3.28Å; N898-T967 WeakPolarHBondContact O-CA 3.35Å; N898-T967 PolarHBondContact O-N 2.92Å; N898-T967 VanDerWaalsContact O-N 3.13Å; N898-T967 VanDerWaalsContact O-O 3.04Å; N898-T967 PolarHBondContact O-OG1 2.74Å; F899-T967 HydrophobicContact CB-CG2 4.07Å; I900-T967 HydrophobicContact CD1-CG2 4.43Å; V963-T967 HydrophobicContact CG1-CG2 3.45Å; V963-T967 VanDerWaalsContact CG1-CG2 3.45Å; N965-T967 VanDerWaalsContact C-N 3.27Å; N965-T967 HydrophobicContact CB-CG2 3.88Å; N965-T967 PolarHBondContact ND2-OG1 2.98Å; N965-T967 PolarHBondContact O-N 3.11Å; N965-T967 VanDerWaalsContact O-N 3.15Å; N965-T967 VanDerWaalsContact OD1-CB 3.23Å; N965-T967 WeakPolarHBondContact OD1-CB 3.34Å; N965-T967 WeakPolarHBondContact OD1-CG2 3.38Å; N965-T967 PolarHBondContact OD1-N 3.45Å; N965-T967 PolarHBondContact OD1-OG1 3.04Å; T967-L969 PolarHBondContact O-N 2.65Å; T967-I976 HydrophobicContact CG2-CG2 4.28Å |
| 968 | R | 74.7 | Confident | 83.2 | Confident | 140.25 Ų | 140.25 | 69.7 Ų | 69.7 | 53% | 0.529 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.6 | 36.9 | 176.2 | -66.9 | -175.1 | -77.7 | -157.6 | -2.7 | 112.7 | G897 N898 R910 E966 I970 | G897-R968 VanDerWaalsContact CA-O 3.24Å; G897-R968 WeakPolarHBondContact CA-O 3.22Å; N898-R968 PolarHBondContact N-O 3.08Å; N898-R968 WeakPolarHBondContact O-CB 3.32Å; N898-R968 PolarHBondContact O-N 3.39Å; R910-R968 VanDerWaalsContact CZ-NH2 3.29Å; R910-R968 VanDerWaalsContact NH1-NH2 3.19Å; R910-R968 VanDerWaalsContact NH2-NH1 3.19Å; E966-R968 VanDerWaalsContact C-N 3.28Å; E966-R968 PolarHBondContact O-N 2.85Å; E966-R968 VanDerWaalsContact O-N 3.15Å; R968-I970 PolarHBondContact O-N 2.89Å; R968-I970 VanDerWaalsContact O-N 3.09Å |
| 969 | L | 84.9 | Confident | 83.2 | Confident | 29 Ų | 29 | 74.7 Ų | 74.7 | 15% | 0.152 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 125.5 | 170.8 | -62.4 | -179.4 | 0 | 0 | 0 | 109.4 | I482 D896 F899 A913 E966 T967 P974 I976 | I482-L969 HydrophobicContact CG2-CD1 4.22Å; D896-L969 WeakPolarHBondContact O-CA 3.27Å; F899-L969 HydrophobicContact CB-CD2 4.43Å; F899-L969 HydrophobicContact CD1-CD2 4.4Å; A913-L969 HydrophobicContact CB-CD2 3.4Å; A913-L969 VanDerWaalsContact CB-CD2 3.42Å; E966-L969 HydrophobicContact CG-CD1 4.5Å; E966-L969 PolarHBondContact O-N 2.83Å; E966-L969 VanDerWaalsContact O-N 3.13Å; T967-L969 PolarHBondContact O-N 2.65Å; L969-P974 HydrophobicContact CB-CB 4.01Å; L969-P974 HydrophobicContact CB-CG 3.57Å; L969-P974 VanDerWaalsContact CB-CG 3.43Å; L969-P974 HydrophobicContact CD1-CB 4.32Å; L969-P974 HydrophobicContact CD1-CG 4.3Å; L969-P974 HydrophobicContact CG-CG 4.48Å; L969-P974 WeakPolarHBondContact O-CG 3.43Å; L969-I976 HydrophobicContact CD1-CB 4.04Å; L969-I976 HydrophobicContact CD1-CG2 4Å |
| 970 | I | 86.1 | Confident | 83.2 | Confident | 95.75 Ų | 95.75 | 75.1 Ų | 75.1 | 49% | 0.491 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -106.8 | 128.5 | 177.8 | -61.5 | 168 | 0 | 0 | 0 | 106.9 | I895 D896 R968 | I895-I970 WeakPolarHBondContact CA-O 3.32Å; D896-I970 HydrophobicContact CB-CB 4.16Å; D896-I970 HydrophobicContact CB-CG2 4.39Å; D896-I970 PolarHBondContact N-O 3.17Å; D896-I970 PolarHBondContact O-N 2.99Å; R968-I970 PolarHBondContact O-N 2.89Å; R968-I970 VanDerWaalsContact O-N 3.09Å |
| 971 | G | 84.7 | Confident | 83.2 | Confident | 24.5 Ų | 24.5 | 71.5 Ų | 71.5 | 25% | 0.253 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 167.5 | -178 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111 | S973 P974 | G971-S973 PolarHBondContact O-N 3.04Å; G971-P974 WeakPolarHBondContact O-CD 3.45Å |
| 972 | D | 86.3 | Confident | 83.1 | Confident | 61.25 Ų | 61.25 | 73.4 Ų | 73.4 | 33% | 0.328 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -87.6 | 89.3 | 170.8 | -157.3 | -10.3 | 0 | 0 | 0 | 108.9 | S484 N485 N487 S892 P893 | S484-D972 PolarHBondContact OG-N 2.89Å; S484-D972 PolarHBondContact OG-O 3.08Å; S484-D972 VanDerWaalsContact OG-O 3.07Å; N485-D972 HydrophobicContact CB-CB 4.03Å; N485-D972 VanDerWaalsContact CB-O 3.29Å; N485-D972 WeakPolarHBondContact CB-O 3.44Å; N485-D972 VanDerWaalsContact CG-O 3.3Å; N485-D972 PolarHBondContact N-O 2.8Å; N485-D972 PolarHBondContact ND2-O 2.97Å; N485-D972 PolarHBondContact ND2-OD1 2.8Å; N487-D972 PolarHBondContact ND2-OD2 3.13Å; S892-D972 WeakPolarHBondContact CB-OD2 3.35Å; S892-D972 WeakPolarHBondContact OG-CB 3.08Å; S892-D972 PolarHBondContact OG-OD2 2.96Å; P893-D972 WeakPolarHBondContact CD-OD1 3.32Å; P893-D972 WeakPolarHBondContact CD-OD2 3.47Å |
| 973 | S | 86.2 | Confident | 83.2 | Confident | 89 Ų | 89 | 74.2 Ų | 74.2 | 62% | 0.622 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 53.7 | 56 | -173.3 | -52.3 | 0 | 0 | 0 | 0 | 114.1 | G971 | G971-S973 PolarHBondContact O-N 3.04Š|
| 974 | P | 88.2 | Confident | 83.3 | Confident | 31.25 Ų | 31.25 | 72.8 Ų | 72.8 | 20% | 0.203 | 40% | 0.395 | C | S | . | . | trans | -67.2 | 142.8 | -177.9 | 30.8 | -35.2 | 0 | 0 | 0 | 111.4 | K483 I895 L969 G971 | K483-P974 CarbonylContact O-C 3.47Å; K483-P974 VanDerWaalsContact O-CA 3.3Å; K483-P974 WeakPolarHBondContact O-CA 3.45Å; I895-P974 HydrophobicContact CG2-CB 4.4Å; L969-P974 HydrophobicContact CB-CB 4.01Å; L969-P974 HydrophobicContact CB-CG 3.57Å; L969-P974 VanDerWaalsContact CB-CG 3.43Å; L969-P974 HydrophobicContact CD1-CB 4.32Å; L969-P974 HydrophobicContact CD1-CG 4.3Å; L969-P974 HydrophobicContact CG-CG 4.48Å; L969-P974 WeakPolarHBondContact O-CG 3.43Å; G971-P974 WeakPolarHBondContact O-CD 3.45Å | ||
| 975 | Q | 89.1 | Confident | 84 | Confident | 129.5 Ų | 129.5 | 71 Ų | 71 | 61% | 0.605 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 138.2 | 176.5 | -65.6 | -172.4 | -28.9 | 0 | 0 | 110.1 | I482 K483 | I482-Q975 WeakPolarHBondContact CA-O 3.44Å; K483-Q975 HydrophobicContact CG-CB 4.15Å; K483-Q975 PolarHBondContact N-O 3.14Å; K483-Q975 PolarHBondContact O-N 2.81Å |
| 976 | I | 89.5 | Confident | 85.3 | Confident | 23.25 Ų | 23.25 | 68.4 Ų | 68.4 | 12% | 0.119 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133.1 | 170.7 | -175.8 | 165.4 | 0 | 0 | 0 | 109.5 | I480 S481 I482 F899 V963 E966 T967 L969 | I480-I976 HydrophobicContact CG2-CD1 3.96Å; I480-I976 HydrophobicContact CG2-CG1 4.04Å; S481-I976 WeakPolarHBondContact O-CA 3.3Å; I482-I976 HydrophobicContact CD1-CD1 4.07Å; I482-I976 HydrophobicContact CD1-CG1 4.48Å; I482-I976 HydrophobicContact CG1-CB 4.48Å; I482-I976 HydrophobicContact CG1-CD1 4.21Å; I482-I976 HydrophobicContact CG1-CG1 4.15Å; F899-I976 HydrophobicContact CB-CD1 4.22Å; F899-I976 HydrophobicContact CD1-CD1 4.19Å; F899-I976 HydrophobicContact CD2-CD1 3.52Å; F899-I976 HydrophobicContact CE1-CD1 4.19Å; F899-I976 HydrophobicContact CE2-CD1 3.8Å; F899-I976 HydrophobicContact CG-CD1 3.72Å; F899-I976 VanDerWaalsContact CG-CD1 3.48Å; F899-I976 HydrophobicContact CZ-CD1 4.14Å; V963-I976 HydrophobicContact CG1-CG2 4.25Å; V963-I976 HydrophobicContact CG2-CD1 4.28Å; V963-I976 HydrophobicContact CG2-CG1 4.26Å; V963-I976 HydrophobicContact CG2-CG2 4.16Å; E966-I976 HydrophobicContact CG-CG2 4.11Å; E966-I976 WeakPolarHBondContact OE1-CG2 3.35Å; T967-I976 HydrophobicContact CG2-CG2 4.28Å; L969-I976 HydrophobicContact CD1-CB 4.04Å; L969-I976 HydrophobicContact CD1-CG2 4Å |
| 977 | T | 90.2 | Very high | 86.7 | Confident | 82.5 Ų | 82.5 | 64.3 Ų | 64.3 | 51% | 0.506 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 142.2 | 172.5 | 58.7 | 0 | 0 | 0 | 0 | 109.5 | I480 S481 | I480-T977 CarbonylContact C-O 3.53Å; I480-T977 WeakPolarHBondContact CA-O 3.37Å; S481-T977 PolarHBondContact N-O 3.07Å; S481-T977 PolarHBondContact O-N 2.87Å |
| 978 | I | 91.1 | Very high | 88 | Confident | 42.5 Ų | 42.5 | 62.7 Ų | 62.7 | 22% | 0.218 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 134.1 | 173.4 | -114.4 | 174.8 | 0 | 0 | 0 | 108.3 | Y478 L479 I480 L901 F949 E960 I961 V963 | Y478-I978 HydrophobicContact CD1-CG2 4.49Å; L479-I978 WeakPolarHBondContact O-CA 3.43Å; I480-I978 HydrophobicContact CD1-CD1 4.33Å; I480-I978 HydrophobicContact CG1-CB 4.36Å; I480-I978 HydrophobicContact CG1-CD1 3.91Å; I480-I978 HydrophobicContact CG1-CG1 3.97Å; I480-I978 HydrophobicContact CG1-CG2 4.2Å; L901-I978 HydrophobicContact CD1-CD1 4.31Å; L901-I978 HydrophobicContact CD2-CD1 3.98Å; L901-I978 VanDerWaalsContact CD2-CD1 3.49Å; F949-I978 HydrophobicContact CE1-CD1 4.31Å; F949-I978 HydrophobicContact CZ-CD1 4.29Å; E960-I978 HydrophobicContact CG-CG2 4.35Å; I961-I978 HydrophobicContact CB-CD1 3.92Å; I961-I978 HydrophobicContact CB-CG2 4.36Å; I961-I978 HydrophobicContact CD1-CD1 4.42Å; I961-I978 HydrophobicContact CG2-CD1 3.72Å; I961-I978 WeakPolarHBondContact O-CD1 3.28Å; I961-I978 WeakPolarHBondContact O-CG2 3.29Å; V963-I978 HydrophobicContact CG2-CD1 3.56Å; V963-I978 HydrophobicContact CG2-CG1 4Å; V963-I978 HydrophobicContact CG2-CG2 4.18Å |
| 979 | Q | 91.4 | Very high | 88.5 | Confident | 124.5 Ų | 124.5 | 59.1 Ų | 59.1 | 58% | 0.582 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 140.5 | 176.8 | 43.1 | -175.2 | -30.4 | 0 | 0 | 110.1 | Y478 L479 S981 | Y478-Q979 CarbonylContact C-O 3.55Å; Y478-Q979 VanDerWaalsContact CA-O 3.29Å; Y478-Q979 WeakPolarHBondContact CA-O 3.23Å; L479-Q979 HydrophobicContact CB-CG 3.91Å; L479-Q979 HydrophobicContact CD2-CG 4.28Å; L479-Q979 VanDerWaalsContact CD2-NE2 3.26Å; L479-Q979 HydrophobicContact CG-CG 4.16Å; L479-Q979 PolarHBondContact N-O 3.25Å; L479-Q979 PolarHBondContact O-N 2.88Å; Q979-S981 PolarHBondContact O-N 3.23Å |
| 980 | K | 92 | Very high | 88.3 | Confident | 68.5 Ų | 68.5 | 60.1 Ų | 60.1 | 30% | 0.298 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 112.4 | 171.8 | -172.9 | 176.8 | -162.1 | 179.1 | 0 | 109.3 | T476 S477 Y478 D957 Q958 A982 I983 | T476-K980 HydrophobicContact CG2-CD 4.3Å; T476-K980 HydrophobicContact CG2-CG 4.17Å; S477-K980 CarbonylContact O-C 3.57Å; Y478-K980 HydrophobicContact CD1-CB 4.06Å; Y478-K980 HydrophobicContact CD1-CG 4.29Å; Y478-K980 HydrophobicContact CE1-CB 3.95Å; Y478-K980 HydrophobicContact CE1-CD 4.28Å; Y478-K980 HydrophobicContact CE1-CG 3.89Å; D957-K980 WeakPolarHBondContact OD1-CE 3.33Å; D957-K980 IonicContact OD1-NZ 3.28Å; D957-K980 PolarHBondContact OD1-NZ 3.03Å; D957-K980 IonicContact OD2-NZ 3.07Å; D957-K980 PolarHBondContact OD2-NZ 2.92Å; Q958-K980 WeakPolarHBondContact O-CE 3.28Å; Q958-K980 PolarHBondContact O-NZ 2.97Å; K980-A982 WeakPolarHBondContact CG-O 3.46Å; K980-I983 HydrophobicContact CD-CG2 3.97Å |
| 981 | S | 89.7 | Confident | 88.2 | Confident | 72.5 Ų | 72.5 | 57.6 Ų | 57.6 | 51% | 0.507 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -30.1 | -176 | 37.7 | 0 | 0 | 0 | 0 | 113.4 | S477 Y478 L479 N948 Q979 | S477-S981 WeakPolarHBondContact CB-OG 3.41Å; S477-S981 PolarHBondContact O-N 3.31Å; S477-S981 PolarHBondContact O-OG 2.78Å; S477-S981 VanDerWaalsContact O-OG 3.11Å; S477-S981 WeakPolarHBondContact OG-CB 3.27Å; S477-S981 PolarHBondContact OG-OG 2.97Å; Y478-S981 PolarHBondContact N-OG 2.7Å; L479-S981 VanDerWaalsContact CB-OG 3.27Å; L479-S981 WeakPolarHBondContact CB-OG 3.48Å; L479-S981 PolarHBondContact N-OG 2.9Å; N948-S981 PolarHBondContact OD1-OG 3.08Å; Q979-S981 PolarHBondContact O-N 3.23Å |
| 982 | A | 90 | Very high | 88.1 | Confident | 52 Ų | 52 | 58 Ų | 58 | 43% | 0.43 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 147.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111 | T476 S477 K980 | T476-A982 WeakPolarHBondContact CG2-O 3.23Å; S477-A982 PolarHBondContact N-O 2.88Å; S477-A982 PolarHBondContact O-N 2.87Å; S477-A982 VanDerWaalsContact OG-CB 3.3Å; S477-A982 WeakPolarHBondContact OG-CB 3.18Å; S477-A982 PolarHBondContact OG-N 3.04Å; K980-A982 WeakPolarHBondContact CG-O 3.46Å |
| 983 | I | 89.4 | Confident | 87.7 | Confident | 77.5 Ų | 77.5 | 56.6 Ų | 56.6 | 40% | 0.397 | 33% | 0.333 | S | S | . | . | trans | -79.1 | 145.3 | 171.7 | 43.4 | 171.1 | 0 | 0 | 0 | 110 | D957 K980 E985 | D957-I983 HydrophobicContact CB-CB 4.42Å; D957-I983 HydrophobicContact CB-CG2 3.84Å; D957-I983 WeakPolarHBondContact OD1-CA 3.18Å; D957-I983 WeakPolarHBondContact OD1-CB 3.12Å; D957-I983 WeakPolarHBondContact OD1-CG2 3.38Å; K980-I983 HydrophobicContact CD-CG2 3.97Å; I983-E985 HydrophobicContact CD1-CB 4.45Å; I983-E985 HydrophobicContact CG1-CB 4.47Å; I983-E985 HydrophobicContact CG1-CG 4.41Å | ||
| 984 | G | 90.1 | Very high | 87.4 | Confident | 9.75 Ų | 9.75 | 55.3 Ų | 55.3 | 10% | 0.101 | 32% | 0.318 | C | S | . | . | trans | -76.1 | 133.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | K474 T476 G956 D957 | K474-G984 CarbonylContact O-C 3.55Å; K474-G984 VanDerWaalsContact O-CA 3.22Å; K474-G984 WeakPolarHBondContact O-CA 3.44Å; T476-G984 WeakPolarHBondContact OG1-CA 3.3Å; T476-G984 PolarHBondContact OG1-N 3.06Å; G956-G984 CarbonylContact C-O 3.54Å; G956-G984 VanDerWaalsContact C-O 3.23Å; G956-G984 WeakPolarHBondContact CA-O 3.46Å; G956-G984 CarbonylContact O-C 3.45Å; G956-G984 WeakPolarHBondContact O-CA 3.32Å; D957-G984 WeakPolarHBondContact CA-O 3.39Å; D957-G984 PolarHBondContact N-O 2.9Å; D957-G984 VanDerWaalsContact N-O 3.11Å; D957-G984 PolarHBondContact OD1-N 3.05Å; D957-G984 VanDerWaalsContact OD1-N 3.14Å | ||
| 985 | E | 91.1 | Very high | 87.2 | Confident | 45.25 Ų | 45.25 | 56.4 Ų | 56.4 | 21% | 0.211 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 147.6 | -176.2 | 57.5 | 173.2 | -173.8 | 0 | 0 | 112.1 | R427 S459 L460 S473 K474 G956 I983 V987 | R427-E985 IonicContact CZ-OE1 2.78Å; R427-E985 IonicContact CZ-OE2 3.13Å; R427-E985 VanDerWaalsContact NH1-CD 3.28Å; R427-E985 IonicContact NH1-OE1 3.72Å; R427-E985 PolarHBondContact NH1-OE1 3.08Å; R427-E985 IonicContact NH1-OE2 3.32Å; R427-E985 PolarHBondContact NH1-OE2 2.68Å; R427-E985 IonicContact NH2-OE1 3.73Å; R427-E985 PolarHBondContact NH2-OE1 2.98Å; R427-E985 IonicContact NH2-OE2 3.67Å; S459-E985 WeakPolarHBondContact CB-OE2 3.44Å; S459-E985 PolarHBondContact OG-OE2 3Å; L460-E985 CarbonylContact O-C 3.56Å; L460-E985 WeakPolarHBondContact O-CA 3.31Å; L460-E985 WeakPolarHBondContact O-CB 3.18Å; S473-E985 CarbonylContact C-O 3.47Å; S473-E985 WeakPolarHBondContact CA-O 3.37Å; K474-E985 HydrophobicContact CB-CG 4.22Å; K474-E985 PolarHBondContact N-O 2.83Å; K474-E985 PolarHBondContact O-N 3.13Å; G956-E985 PolarHBondContact N-O 3.21Å; I983-E985 HydrophobicContact CD1-CB 4.45Å; I983-E985 HydrophobicContact CG1-CB 4.47Å; I983-E985 HydrophobicContact CG1-CG 4.41Å; E985-V987 HydrophobicContact CB-CG2 4.32Å; E985-V987 VanDerWaalsContact CD-CG2 3.44Å; E985-V987 HydrophobicContact CG-CG2 3.99Å; E985-V987 PolarHBondContact O-N 2.84Å; E985-V987 VanDerWaalsContact OE1-CG2 3.27Å; E985-V987 WeakPolarHBondContact OE1-CG2 3.46Å |
| 986 | L | 90.4 | Very high | 87 | Confident | 32.5 Ų | 32.5 | 52 Ų | 52 | 17% | 0.17 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 117.7 | 167 | 173.2 | 62.5 | 0 | 0 | 0 | 109.1 | V247 S459 L460 T463 L465 L470 P955 M988 | V247-L986 HydrophobicContact CB-CD2 4.25Å; V247-L986 HydrophobicContact CG1-CD2 3.82Å; V247-L986 HydrophobicContact CG2-CD1 4.05Å; V247-L986 HydrophobicContact CG2-CD2 4.29Å; S459-L986 CarbonylContact C-O 3.52Å; S459-L986 WeakPolarHBondContact CA-O 3.21Å; S459-L986 WeakPolarHBondContact CB-O 3.45Å; L460-L986 HydrophobicContact CD2-CB 3.77Å; L460-L986 HydrophobicContact CD2-CD2 3.95Å; L460-L986 HydrophobicContact CD2-CG 3.97Å; L460-L986 HydrophobicContact CG-CB 4.26Å; L460-L986 PolarHBondContact N-O 3.17Å; L460-L986 PolarHBondContact O-N 3.32Å; T463-L986 HydrophobicContact CG2-CB 3.89Å; L465-L986 HydrophobicContact CD1-CD1 4.49Å; L465-L986 HydrophobicContact CD1-CD2 4.25Å; L470-L986 HydrophobicContact CD2-CD1 4.16Å; P955-L986 HydrophobicContact CB-CB 4.35Å; P955-L986 HydrophobicContact CB-CD1 3.71Å; P955-L986 HydrophobicContact CB-CG 4.5Å; L986-M988 HydrophobicContact CD2-CE 3.75Å; L986-M988 HydrophobicContact CD2-CG 4.3Å; L986-M988 HydrophobicContact CG-CE 4.4Å; L986-M988 HydrophobicContact CG-CG 4.3Å |
| 987 | V | 87.7 | Confident | 86.7 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 114.9 | 177.6 | -175.7 | 0 | 0 | 0 | 0 | 110.3 | I400 T472 K474 E985 C989 | I400-V987 HydrophobicContact CD1-CG1 3.96Å; T472-V987 WeakPolarHBondContact CB-O 3.14Å; T472-V987 PolarHBondContact O-N 3.1Å; K474-V987 HydrophobicContact CG-CG2 4.49Å; E985-V987 HydrophobicContact CB-CG2 4.32Å; E985-V987 VanDerWaalsContact CD-CG2 3.44Å; E985-V987 HydrophobicContact CG-CG2 3.99Å; E985-V987 PolarHBondContact O-N 2.84Å; E985-V987 VanDerWaalsContact OE1-CG2 3.27Å; E985-V987 WeakPolarHBondContact OE1-CG2 3.46Å; V987-C989 HydrophobicContact CG1-CB 4.35Å |
| 988 | M | 85.9 | Confident | 86.5 | Confident | 41.75 Ų | 41.75 | 52 Ų | 52 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 103.8 | 176.3 | -58.1 | 179.3 | -78.1 | 0 | 0 | 108.8 | F389 C457 A458 L460 L986 P990 M995 | F389-M988 HydrophobicContact CZ-CE 4.46Å; C457-M988 CarbonylContact C-O 3.56Å; C457-M988 WeakPolarHBondContact CA-O 3.28Å; C457-M988 VanDerWaalsContact CB-O 3.25Å; C457-M988 WeakPolarHBondContact CB-O 3.38Å; A458-M988 HydrophobicContact CB-CE 3.85Å; A458-M988 PolarHBondContact N-O 3.29Å; A458-M988 WeakPolarHBondContact O-CB 3.4Å; A458-M988 PolarHBondContact O-N 2.89Å; L460-M988 HydrophobicContact CD2-CE 3.8Å; L460-M988 HydrophobicContact CD2-CG 4.41Å; L460-M988 HydrophobicContact CD2-SD 3.97Å; L986-M988 HydrophobicContact CD2-CE 3.75Å; L986-M988 HydrophobicContact CD2-CG 4.3Å; L986-M988 HydrophobicContact CG-CE 4.4Å; L986-M988 HydrophobicContact CG-CG 4.3Å; M988-P990 CarbonylContact C-O 3.51Å; M988-P990 CarbonylContact O-C 3.57Å; M988-M995 HydrophobicContact CE-CE 4.35Å; M988-M995 HydrophobicContact CE-SD 3.69Å; M988-M995 WeakPolarHBondContact CE-SD 3.48Å; M988-M995 HydrophobicContact SD-CE 3.77Å; M988-M995 VanDerWaalsContact SD-CE 3.54Å; M988-M995 HydrophobicContact SD-SD 3.6Å |
| 989 | C | 83.7 | Confident | 86.1 | Confident | 63.75 Ų | 63.75 | 55.6 Ų | 55.6 | 43% | 0.431 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -139.8 | 114 | -178.6 | -160.5 | 0 | 0 | 0 | 0 | 112.9 | C457 V987 | C457-C989 HydrophobicContact CB-CB 3.45Å; C457-C989 VanDerWaalsContact CB-CB 3.4Å; C457-C989 WeakPolarHBondContact CB-SG 3.36Å; C457-C989 WeakPolarHBondContact SG-CA 3.45Å; C457-C989 WeakPolarHBondContact SG-CB 3.28Å; C457-C989 CovalentContact SG-SG 2.04Å; C457-C989 PolarHBondContact SG-SG 2.84Å; V987-C989 HydrophobicContact CG1-CB 4.35Å |
| 990 | P | 81.4 | Confident | 85.9 | Confident | 51 Ų | 51 | 53.3 Ų | 53.3 | 33% | 0.331 | 32% | 0.316 | S | S | . | . | S | Bend | cis | -69 | 169.1 | -4.6 | 29.7 | -32.2 | 0 | 0 | 0 | 112.6 | P369 E370 R455 L456 M988 S992 | P369-P990 HydrophobicContact CB-CB 4.27Å; E370-P990 HydrophobicContact CB-CG 3.82Å; E370-P990 HydrophobicContact CG-CG 4.19Å; R455-P990 HydrophobicContact CB-CB 4.45Å; L456-P990 CarbonylContact O-C 3.53Å; L456-P990 WeakPolarHBondContact O-CA 3.49Å; M988-P990 CarbonylContact C-O 3.51Å; M988-P990 CarbonylContact O-C 3.57Å; P990-S992 PolarHBondContact O-N 3.13Å |
| 991 | I | 84.6 | Confident | 85.5 | Confident | 43.75 Ų | 43.75 | 55.4 Ų | 55.4 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 133.9 | 167.5 | -62 | 173.5 | 0 | 0 | 0 | 108.7 | P369 M387 F389 F399 L441 L456 A458 M995 A996 | P369-I991 WeakPolarHBondContact CG-O 3.19Å; M387-I991 HydrophobicContact SD-CD1 3.94Å; F389-I991 HydrophobicContact CD2-CD1 4.08Å; F389-I991 HydrophobicContact CD2-CG2 3.86Å; F389-I991 HydrophobicContact CE2-CG2 4.03Å; F399-I991 HydrophobicContact CD1-CD1 4.4Å; L441-I991 HydrophobicContact CD1-CD1 4.14Å; L456-I991 HydrophobicContact CD2-CD1 4.26Å; L456-I991 HydrophobicContact CG-CD1 4.07Å; L456-I991 PolarHBondContact O-N 3.08Å; A458-I991 HydrophobicContact CB-CD1 4.01Å; A458-I991 HydrophobicContact CB-CG1 3.85Å; I991-M995 HydrophobicContact CG2-CB 3.88Å; I991-M995 HydrophobicContact CG2-CG 4.49Å; I991-M995 HydrophobicContact CG2-SD 4.2Å; I991-A996 HydrophobicContact CG2-CB 4.47Å |
| 992 | S | 81.7 | Confident | 85.2 | Confident | 32.5 Ų | 32.5 | 54.1 Ų | 54.1 | 23% | 0.227 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 147.7 | -179.7 | -55.4 | 0 | 0 | 0 | 0 | 111.9 | Y145 V247 P990 D994 M995 A996 | Y145-S992 WeakPolarHBondContact OH-CA 3.3Å; V247-S992 PolarHBondContact O-OG 3.04Å; P990-S992 PolarHBondContact O-N 3.13Å; S992-D994 VanDerWaalsContact C-N 3.28Å; S992-D994 WeakPolarHBondContact CB-OD1 3.23Å; S992-D994 PolarHBondContact O-N 3.08Å; S992-M995 VanDerWaalsContact CB-CE 3.48Å; S992-M995 WeakPolarHBondContact O-CB 3.24Å; S992-M995 PolarHBondContact O-N 3.18Å; S992-A996 PolarHBondContact O-N 2.99Å |
| 993 | G | 78.4 | Confident | 85 | Confident | 32 Ų | 32 | 54.1 Ų | 54.1 | 33% | 0.33 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -64.9 | -24.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y145 M995 A996 | Y145-G993 PolarHBondContact OH-N 3.09Å; G993-M995 VanDerWaalsContact C-N 3.28Å; G993-M995 PolarHBondContact O-N 3.05Å; G993-A996 PolarHBondContact O-N 2.95Å; G993-A996 VanDerWaalsContact O-N 3.12Å |
| 994 | D | 80 | Confident | 84.9 | Confident | 60 Ų | 60 | 52.1 Ų | 52.1 | 32% | 0.321 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -70.4 | -14.7 | 172.9 | 60.3 | -33 | 0 | 0 | 0 | 113.8 | D248 R249 Q257 S992 A996 F1012 | D248-D994 WeakPolarHBondContact CB-OD2 3.39Å; R249-D994 PolarHBondContact N-OD2 2.86Å; Q257-D994 PolarHBondContact NE2-OD2 3.3Å; Q257-D994 VanDerWaalsContact NE2-OD2 3.12Å; S992-D994 VanDerWaalsContact C-N 3.28Å; S992-D994 WeakPolarHBondContact CB-OD1 3.23Å; S992-D994 PolarHBondContact O-N 3.08Å; D994-A996 VanDerWaalsContact C-N 3.29Å; D994-F1012 HydrophobicContact CB-CD1 4.15Å |
| 995 | M | 84.3 | Confident | 84.8 | Confident | 55.25 Ų | 55.25 | 54.1 Ų | 54.1 | 27% | 0.272 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -99.7 | 8.1 | 174.3 | -57.9 | 179.2 | -155.1 | 0 | 0 | 112.7 | D248 F389 V390 P392 M988 I991 S992 G993 | D248-M995 VanDerWaalsContact O-CE 3.26Å; D248-M995 WeakPolarHBondContact O-CE 3.41Å; F389-M995 WeakPolarHBondContact CA-O 3.46Å; F389-M995 HydrophobicContact CD2-CB 4.28Å; F389-M995 WeakPolarHBondContact CD2-O 3.43Å; F389-M995 HydrophobicContact CE2-CB 3.99Å; F389-M995 HydrophobicContact CE2-SD 4.4Å; V390-M995 PolarHBondContact N-O 3.36Å; P392-M995 HydrophobicContact CG-CE 4.27Å; P392-M995 HydrophobicContact CG-SD 4.22Å; M988-M995 HydrophobicContact CE-CE 4.35Å; M988-M995 HydrophobicContact CE-SD 3.69Å; M988-M995 WeakPolarHBondContact CE-SD 3.48Å; M988-M995 HydrophobicContact SD-CE 3.77Å; M988-M995 VanDerWaalsContact SD-CE 3.54Å; M988-M995 HydrophobicContact SD-SD 3.6Å; I991-M995 HydrophobicContact CG2-CB 3.88Å; I991-M995 HydrophobicContact CG2-CG 4.49Å; I991-M995 HydrophobicContact CG2-SD 4.2Å; S992-M995 VanDerWaalsContact CB-CE 3.48Å; S992-M995 WeakPolarHBondContact O-CB 3.24Å; S992-M995 PolarHBondContact O-N 3.18Å; G993-M995 VanDerWaalsContact C-N 3.28Å; G993-M995 PolarHBondContact O-N 3.05Å |
| 996 | A | 84.7 | Confident | 84.5 | Confident | 38.25 Ų | 38.25 | 56.6 Ų | 56.6 | 32% | 0.316 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 138.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R330 G331 M387 I388 I991 S992 G993 D994 | R330-A996 WeakPolarHBondContact CA-O 3.18Å; G331-A996 PolarHBondContact N-O 3.01Å; G331-A996 CarbonylContact O-C 3.54Å; M387-A996 HydrophobicContact SD-CB 4.24Å; I388-A996 WeakPolarHBondContact O-CA 3.09Å; I991-A996 HydrophobicContact CG2-CB 4.47Å; S992-A996 PolarHBondContact O-N 2.99Å; G993-A996 PolarHBondContact O-N 2.95Å; G993-A996 VanDerWaalsContact O-N 3.12Å; D994-A996 VanDerWaalsContact C-N 3.29Å |
| 997 | A | 83.8 | Confident | 84.3 | Confident | 44.75 Ų | 44.75 | 58.1 Ų | 58.1 | 37% | 0.37 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 150.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P327 N329 G331 I388 V390 | P327-A997 HydrophobicContact CB-CB 4.28Å; N329-A997 VanDerWaalsContact O-CA 3.31Å; N329-A997 WeakPolarHBondContact O-CA 3.4Å; G331-A997 CarbonylContact O-C 3.55Å; I388-A997 HydrophobicContact CB-CB 4.22Å; I388-A997 PolarHBondContact N-O 2.98Å; I388-A997 PolarHBondContact O-N 2.95Å; V390-A997 HydrophobicContact CG2-CB 4.3Å |
| 998 | T | 84.8 | Confident | 84.1 | Confident | 60.75 Ų | 60.75 | 60.1 Ų | 60.1 | 37% | 0.373 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 149.5 | 174.3 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | G328 N329 G331 Y365 H1000 | G328-T998 WeakPolarHBondContact CA-OG1 3.36Å; G328-T998 PolarHBondContact N-O 3.28Å; N329-T998 PolarHBondContact O-N 3.23Å; G331-T998 PolarHBondContact O-N 3.02Å; Y365-T998 HydrophobicContact CD1-CG2 4.15Å; T998-H1000 WeakPolarHBondContact CB-NE2 3.5Å; T998-H1000 PolarHBondContact O-CD2 3.01Å; T998-H1000 PolarHBondContact OG1-CD2 2.94Å; T998-H1000 VanDerWaalsContact OG1-CD2 3.27Å; T998-H1000 PolarHBondContact OG1-NE2 3.12Å; T998-H1000 VanDerWaalsContact OG1-NE2 3.11Å |
| 999 | K | 83.9 | Confident | 83.8 | Confident | 118 Ų | 118 | 60.5 Ų | 60.5 | 51% | 0.513 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 128.7 | 179.8 | -179.7 | -175.2 | 157.8 | 178.8 | 0 | 111 | F325 I388 L440 E442 | F325-K999 HydrophobicContact CB-CG 4.25Å; F325-K999 HydrophobicContact CG-CG 4.5Å; I388-K999 HydrophobicContact CD1-CB 4.33Å; L440-K999 HydrophobicContact CD1-CB 4.2Å; L440-K999 HydrophobicContact CD1-CD 3.75Å; L440-K999 HydrophobicContact CD1-CG 4.06Å; L440-K999 HydrophobicContact CD2-CD 4.03Å; L440-K999 HydrophobicContact CG-CD 4.5Å; E442-K999 IonicContact OE2-NZ 3.87Å |
| 1000 | H | 85.7 | Confident | 83.6 | Confident | 74.75 Ų | 74.75 | 62.4 Ų | 62.4 | 35% | 0.346 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 158.8 | 178 | -66.5 | -93.2 | 0 | 0 | 0 | 111.8 | F325 Y326 T998 Q1004 D1021 | F325-H1000 CarbonylContact C-O 3.47Å; F325-H1000 WeakPolarHBondContact CA-O 3.05Å; F325-H1000 WeakPolarHBondContact CB-O 3.29Å; Y326-H1000 PolarHBondContact N-O 2.82Å; Y326-H1000 PolarHBondContact O-N 2.73Å; T998-H1000 WeakPolarHBondContact CB-NE2 3.5Å; T998-H1000 PolarHBondContact O-CD2 3.01Å; T998-H1000 PolarHBondContact OG1-CD2 2.94Å; T998-H1000 VanDerWaalsContact OG1-CD2 3.27Å; T998-H1000 PolarHBondContact OG1-NE2 3.12Å; T998-H1000 VanDerWaalsContact OG1-NE2 3.11Å; H1000-Q1004 HydrophobicContact CB-CG 3.87Å; H1000-Q1004 PolarHBondContact CE1-OE1 3.26Å; H1000-Q1004 VanDerWaalsContact CG-CD 3.49Å; H1000-Q1004 PolarHBondContact ND1-NE2 3.31Å; H1000-Q1004 PolarHBondContact ND1-OE1 2.9Å; H1000-D1021 IonicContact ND1-OD1 3.46Å |
| 1001 | S | 83.3 | Confident | 83.3 | Confident | 113 Ų | 113 | 65.4 Ų | 65.4 | 79% | 0.79 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -98.1 | -13.1 | 179.4 | 54.4 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1002 | V | 84.9 | Confident | 83 | Confident | 45.6 Ų | 45.6 | 67.9 Ų | 67.9 | 28% | 0.276 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -117.1 | 145.6 | 176.2 | -116.2 | 0 | 0 | 0 | 0 | 109.1 | Y326 Q1004 D1021 Q1023 | Y326-V1002 WeakPolarHBondContact CB-O 3.33Å; V1002-Q1004 PolarHBondContact O-N 3Å; V1002-Q1004 VanDerWaalsContact O-N 3.16Å; V1002-Q1004 PolarHBondContact O-NE2 2.95Å; V1002-Q1004 VanDerWaalsContact O-NE2 3.12Å; V1002-D1021 HydrophobicContact CB-CB 4.28Å; V1002-D1021 WeakPolarHBondContact CB-OD1 3.45Å; V1002-D1021 HydrophobicContact CG1-CB 3.85Å; V1002-D1021 HydrophobicContact CG2-CB 3.7Å; V1002-D1021 WeakPolarHBondContact CG2-OD1 3.35Å; V1002-Q1023 HydrophobicContact CG1-CG 3.94Å |
| 1003 | P | 85.6 | Confident | 82.9 | Confident | 51.8 Ų | 51.8 | 68.4 Ų | 68.4 | 34% | 0.336 | 38% | 0.379 | S | S | . | . | trans | -51.6 | 133.5 | 179.1 | -25.1 | 32.4 | 0 | 0 | 0 | 112.1 | V295 Y326 D1021 H1022 F1024 | V295-P1003 HydrophobicContact CG1-CB 4.29Å; Y326-P1003 HydrophobicContact CD1-CB 4.14Å; Y326-P1003 HydrophobicContact CD1-CG 4.25Å; Y326-P1003 HydrophobicContact CD2-CG 4.37Å; Y326-P1003 HydrophobicContact CE1-CB 4.1Å; Y326-P1003 HydrophobicContact CE1-CG 3.79Å; Y326-P1003 HydrophobicContact CE2-CG 3.95Å; Y326-P1003 HydrophobicContact CG-CB 4.43Å; Y326-P1003 HydrophobicContact CG-CG 4.5Å; P1003-D1021 WeakPolarHBondContact O-CA 3.4Å; P1003-H1022 HydrophobicContact CB-CB 4.46Å; P1003-H1022 WeakPolarHBondContact CB-O 3.36Å; P1003-H1022 VanDerWaalsContact CD-O 3.23Å; P1003-H1022 WeakPolarHBondContact CD-O 3.43Å; P1003-H1022 WeakPolarHBondContact CG-O 3.19Å; P1003-H1022 PolarHBondContact O-N 2.95Å; P1003-F1024 HydrophobicContact CB-CD2 4.37Å; P1003-F1024 HydrophobicContact CB-CE2 3.98Å; P1003-F1024 HydrophobicContact CG-CD2 3.9Å; P1003-F1024 HydrophobicContact CG-CE2 3.92Å | ||
| 1004 | Q | 87.3 | Confident | 83.2 | Confident | 35.2 Ų | 35.2 | 68.2 Ų | 68.2 | 16% | 0.164 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -106.1 | 136.3 | -179.9 | -64.4 | -61.9 | -69.2 | 0 | 0 | 110.9 | V295 G296 P327 H1000 V1002 R1006 C1020 D1021 | V295-Q1004 VanDerWaalsContact CA-O 3.31Å; V295-Q1004 WeakPolarHBondContact CA-O 3.5Å; G296-Q1004 PolarHBondContact N-O 2.68Å; P327-Q1004 WeakPolarHBondContact O-CB 3.23Å; H1000-Q1004 HydrophobicContact CB-CG 3.87Å; H1000-Q1004 PolarHBondContact CE1-OE1 3.26Å; H1000-Q1004 VanDerWaalsContact CG-CD 3.49Å; H1000-Q1004 PolarHBondContact ND1-NE2 3.31Å; H1000-Q1004 PolarHBondContact ND1-OE1 2.9Å; V1002-Q1004 PolarHBondContact O-N 3Å; V1002-Q1004 VanDerWaalsContact O-N 3.16Å; V1002-Q1004 PolarHBondContact O-NE2 2.95Å; V1002-Q1004 VanDerWaalsContact O-NE2 3.12Å; Q1004-R1006 HydrophobicContact CB-CG 4.38Å; Q1004-R1006 PolarHBondContact O-N 3.35Å; Q1004-C1020 CarbonylContact C-O 3.52Å; Q1004-C1020 VanDerWaalsContact CA-O 3.3Å; Q1004-C1020 WeakPolarHBondContact CA-O 3.23Å; Q1004-D1021 VanDerWaalsContact NE2-CG 3.29Å; Q1004-D1021 PolarHBondContact NE2-OD1 3.13Å |
| 1005 | V | 87.5 | Confident | 83.3 | Confident | 53 Ų | 53 | 72.2 Ų | 72.2 | 32% | 0.321 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 119.6 | 163.2 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | V265 I280 I293 S294 V295 N329 C1020 H1022 | V265-V1005 HydrophobicContact CG1-CG2 3.87Å; V265-V1005 HydrophobicContact CG2-CB 4.29Å; V265-V1005 HydrophobicContact CG2-CG1 4.45Å; V265-V1005 HydrophobicContact CG2-CG2 4.36Å; I280-V1005 HydrophobicContact CD1-CG1 3.7Å; I280-V1005 HydrophobicContact CG1-CG1 4.25Å; I293-V1005 HydrophobicContact CG2-CG1 4.29Å; S294-V1005 CarbonylContact O-C 3.5Å; S294-V1005 WeakPolarHBondContact O-CA 3.41Å; V295-V1005 HydrophobicContact CG2-CB 4.48Å; V295-V1005 HydrophobicContact CG2-CG2 3.94Å; N329-V1005 PolarHBondContact ND2-O 3.07Å; V1005-C1020 HydrophobicContact CB-CB 4.38Å; V1005-C1020 WeakPolarHBondContact CB-O 3.3Å; V1005-C1020 WeakPolarHBondContact CG2-O 3.25Å; V1005-C1020 PolarHBondContact N-O 3.12Å; V1005-C1020 WeakPolarHBondContact O-CB 3.12Å; V1005-H1022 HydrophobicContact CG2-CB 4.13Å |
| 1006 | R | 85.7 | Confident | 83.2 | Confident | 96 Ų | 96 | 71.4 Ų | 71.4 | 36% | 0.362 | 39% | 0.385 | S | S | . | . | trans | -112.6 | 131.9 | 175.8 | -64.2 | 179.1 | 142.5 | 176.3 | 2.1 | 109.9 | I293 S294 P327 G328 D438 Q1004 Y1008 | I293-R1006 WeakPolarHBondContact CA-O 3.29Å; S294-R1006 PolarHBondContact N-O 2.89Å; S294-R1006 PolarHBondContact O-N 3.48Å; P327-R1006 VanDerWaalsContact O-CD 3.27Å; P327-R1006 WeakPolarHBondContact O-CD 3.38Å; P327-R1006 WeakPolarHBondContact O-CG 3.41Å; G328-R1006 PolarHBondContact O-NE 3.36Å; D438-R1006 IonicContact OD1-NH1 2.66Å; D438-R1006 IonicContact OD1-NH2 2.75Å; D438-R1006 IonicContact OD2-NH1 3Å; Q1004-R1006 HydrophobicContact CB-CG 4.38Å; Q1004-R1006 PolarHBondContact O-N 3.35Å; R1006-Y1008 HydrophobicContact CB-CD2 4.33Å; R1006-Y1008 HydrophobicContact CB-CE2 4.12Å; R1006-Y1008 WeakPolarHBondContact CD-OH 3.37Å; R1006-Y1008 PolarHBondContact NH2-OH 3.08Å | ||
| 1007 | L | 86.2 | Confident | 83 | Confident | 66 Ų | 66 | 77.1 Ų | 77.1 | 35% | 0.346 | 41% | 0.405 | S | S | . | . | trans | -112.5 | 132.6 | 175.3 | 176.4 | 67.4 | 0 | 0 | 0 | 109.8 | I262 L285 V291 I293 I310 N329 V1009 S1013 A1014 | I262-L1007 HydrophobicContact CD1-CB 3.83Å; I262-L1007 HydrophobicContact CD1-CD2 4.28Å; I262-L1007 HydrophobicContact CG1-CB 4.43Å; I262-L1007 HydrophobicContact CG1-CD2 3.96Å; L285-L1007 HydrophobicContact CD2-CD2 3.53Å; V291-L1007 HydrophobicContact CG1-CD1 3.74Å; I293-L1007 HydrophobicContact CG1-CD1 3.76Å; I310-L1007 HydrophobicContact CD1-CD1 3.75Å; I310-L1007 HydrophobicContact CD1-CD2 4.14Å; N329-L1007 PolarHBondContact OD1-N 3.1Å; L1007-V1009 HydrophobicContact CD1-CG2 4.29Å; L1007-V1009 HydrophobicContact CD2-CG2 4.34Å; L1007-V1009 HydrophobicContact CG-CG2 4.25Å; L1007-S1013 WeakPolarHBondContact O-CA 3.18Å; L1007-A1014 HydrophobicContact CB-CB 3.97Å; L1007-A1014 HydrophobicContact CD2-CB 4.03Å; L1007-A1014 HydrophobicContact CG-CB 4.16Å; L1007-A1014 WeakPolarHBondContact O-CB 3.47Å; L1007-A1014 PolarHBondContact O-N 3.26Å | ||
| 1008 | Y | 83.6 | Confident | 82.9 | Confident | 84.2 Ų | 84.2 | 78.7 Ų | 78.7 | 33% | 0.33 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.8 | 170.7 | -65.2 | -93.7 | 0 | 0 | 0 | 109.4 | V291 T292 R1006 N1011 F1012 | V291-Y1008 WeakPolarHBondContact CA-O 3.35Å; T292-Y1008 PolarHBondContact N-O 3.06Å; T292-Y1008 PolarHBondContact O-N 2.91Å; R1006-Y1008 HydrophobicContact CB-CD2 4.33Å; R1006-Y1008 HydrophobicContact CB-CE2 4.12Å; R1006-Y1008 WeakPolarHBondContact CD-OH 3.37Å; R1006-Y1008 PolarHBondContact NH2-OH 3.08Å; Y1008-N1011 WeakPolarHBondContact CD1-O 3.31Å; Y1008-F1012 CarbonylContact C-O 3.55Å; Y1008-F1012 VanDerWaalsContact CA-O 3.29Å; Y1008-F1012 WeakPolarHBondContact CA-O 3.38Å |
| 1009 | V | 79.5 | Confident | 82.8 | Confident | 51.2 Ų | 51.2 | 79.2 Ų | 79.2 | 31% | 0.31 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 118.9 | 171.8 | -177.4 | 0 | 0 | 0 | 0 | 107 | S260 N289 L1007 N1011 F1012 | S260-V1009 WeakPolarHBondContact OG-CG2 3.15Å; N289-V1009 HydrophobicContact CB-CG1 4.01Å; L1007-V1009 HydrophobicContact CD1-CG2 4.29Å; L1007-V1009 HydrophobicContact CD2-CG2 4.34Å; L1007-V1009 HydrophobicContact CG-CG2 4.25Å; V1009-N1011 VanDerWaalsContact C-N 3.26Å; V1009-N1011 PolarHBondContact O-N 3.05Å; V1009-N1011 VanDerWaalsContact O-N 3.15Å; V1009-F1012 PolarHBondContact N-O 2.99Å; V1009-F1012 WeakPolarHBondContact O-CB 3.28Å; V1009-F1012 PolarHBondContact O-N 3.24Å |
| 1010 | D | 78.1 | Confident | 83 | Confident | 103.4 Ų | 103.4 | 74.6 Ų | 74.6 | 55% | 0.553 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 40.6 | -172.6 | -63 | -28.6 | 0 | 0 | 0 | 113.4 | N289 D290 F1012 | N289-D1010 WeakPolarHBondContact CA-OD1 3.34Å; N289-D1010 WeakPolarHBondContact CB-OD1 3.35Å; N289-D1010 VanDerWaalsContact CG-OD1 3.25Å; N289-D1010 PolarHBondContact ND2-OD2 3.02Å; N289-D1010 PolarHBondContact OD1-OD2 2.74Å; D290-D1010 PolarHBondContact N-OD1 3.24Å; D290-D1010 PolarHBondContact O-N 2.99Å; D1010-F1012 VanDerWaalsContact C-N 3.26Å; D1010-F1012 HydrophobicContact CB-CD2 4.27Å; D1010-F1012 HydrophobicContact CB-CE2 4.41Å; D1010-F1012 VanDerWaalsContact O-CD2 3.26Å; D1010-F1012 WeakPolarHBondContact O-CD2 3.27Å; D1010-F1012 WeakPolarHBondContact O-CE2 3.39Å; D1010-F1012 PolarHBondContact O-N 3.08Å; D1010-F1012 VanDerWaalsContact O-N 3.12Å |
| 1011 | N | 76.8 | Confident | 83.1 | Confident | 113 Ų | 113 | 74.3 Ų | 74.3 | 60% | 0.604 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 4.4 | -173.8 | -77.3 | -29 | 0 | 0 | 0 | 116.1 | R249 Y1008 V1009 | R249-N1011 PolarHBondContact NH1-OD1 2.91Å; Y1008-N1011 WeakPolarHBondContact CD1-O 3.31Å; V1009-N1011 VanDerWaalsContact C-N 3.26Å; V1009-N1011 PolarHBondContact O-N 3.05Å; V1009-N1011 VanDerWaalsContact O-N 3.15Å |
| 1012 | F | 76.9 | Confident | 83.1 | Confident | 97.6 Ų | 97.6 | 71.7 Ų | 71.7 | 43% | 0.428 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 128.3 | 171 | -62.8 | -80.7 | 0 | 0 | 0 | 111 | S224 Q257 D994 Y1008 V1009 D1010 A1014 | S224-F1012 WeakPolarHBondContact OG-CE1 3.33Å; Q257-F1012 HydrophobicContact CG-CD1 4.31Å; Q257-F1012 HydrophobicContact CG-CE1 4.33Å; Q257-F1012 VanDerWaalsContact NE2-CE1 3.33Å; D994-F1012 HydrophobicContact CB-CD1 4.15Å; Y1008-F1012 CarbonylContact C-O 3.55Å; Y1008-F1012 VanDerWaalsContact CA-O 3.29Å; Y1008-F1012 WeakPolarHBondContact CA-O 3.38Å; V1009-F1012 PolarHBondContact N-O 2.99Å; V1009-F1012 WeakPolarHBondContact O-CB 3.28Å; V1009-F1012 PolarHBondContact O-N 3.24Å; D1010-F1012 VanDerWaalsContact C-N 3.26Å; D1010-F1012 HydrophobicContact CB-CD2 4.27Å; D1010-F1012 HydrophobicContact CB-CE2 4.41Å; D1010-F1012 VanDerWaalsContact O-CD2 3.26Å; D1010-F1012 WeakPolarHBondContact O-CD2 3.27Å; D1010-F1012 WeakPolarHBondContact O-CE2 3.39Å; D1010-F1012 PolarHBondContact O-N 3.08Å; D1010-F1012 VanDerWaalsContact O-N 3.12Å; F1012-A1014 PolarHBondContact O-N 3.06Å |
| 1013 | S | 79.5 | Confident | 82.9 | Confident | 42.4 Ų | 42.4 | 75.3 Ų | 75.3 | 30% | 0.297 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 130.6 | 176.9 | 172.3 | 0 | 0 | 0 | 0 | 111 | R330 L1007 | R330-S1013 PolarHBondContact N-OG 2.87Å; L1007-S1013 WeakPolarHBondContact O-CA 3.18Å |
| 1014 | A | 84.4 | Confident | 82.5 | Confident | 27.8 Ų | 27.8 | 79.1 Ų | 79.1 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 155.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S260 I262 N329 R330 L1007 F1012 | S260-A1014 CarbonylContact O-C 2.95Å; S260-A1014 VanDerWaalsContact O-CA 3.28Å; S260-A1014 WeakPolarHBondContact O-CA 3.48Å; S260-A1014 WeakPolarHBondContact OG-CB 3.38Å; I262-A1014 HydrophobicContact CD1-CB 4.16Å; I262-A1014 HydrophobicContact CG1-CB 4.08Å; N329-A1014 VanDerWaalsContact CB-O 3.32Å; N329-A1014 WeakPolarHBondContact CB-O 3.36Å; R330-A1014 VanDerWaalsContact CG-O 3.3Å; R330-A1014 WeakPolarHBondContact CG-O 3.18Å; R330-A1014 PolarHBondContact N-O 3.18Å; L1007-A1014 HydrophobicContact CB-CB 3.97Å; L1007-A1014 HydrophobicContact CD2-CB 4.03Å; L1007-A1014 HydrophobicContact CG-CB 4.16Å; L1007-A1014 WeakPolarHBondContact O-CB 3.47Å; L1007-A1014 PolarHBondContact O-N 3.26Å; F1012-A1014 PolarHBondContact O-N 3.06Å |
| 1015 | Y | 82.3 | Confident | 81.9 | Confident | 144.8 Ų | 144.8 | 81.9 Ų | 81.9 | 57% | 0.568 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -88.6 | 130 | 170.2 | 173.2 | -110.1 | 0 | 0 | 0 | 109.9 | Y259 S260 V261 I262 Y367 E1017 | Y259-Y1015 VanDerWaalsContact CE2-CB 3.43Å; Y259-Y1015 HydrophobicContact CE2-CD1 4.43Å; Y259-Y1015 HydrophobicContact CE2-CG 4.11Å; S260-Y1015 PolarHBondContact O-N 3.04Å; V261-Y1015 CarbonylContact C-O 3.56Å; V261-Y1015 WeakPolarHBondContact CA-O 3.5Å; V261-Y1015 HydrophobicContact CG1-CD1 4.13Å; I262-Y1015 PolarHBondContact N-O 3.15Å; Y367-Y1015 HydrophobicContact CD1-CD2 4.38Å; Y367-Y1015 AromaticContact CD1-CE2 3.98Å; Y367-Y1015 HydrophobicContact CD1-CE2 3.98Å; Y1015-E1017 HydrophobicContact CD1-CB 4.46Å; Y1015-E1017 HydrophobicContact CD1-CG 4.17Å; Y1015-E1017 HydrophobicContact CE1-CB 4Å; Y1015-E1017 HydrophobicContact CE1-CG 4.23Å |
| 1016 | C | 82.5 | Confident | 80.9 | Confident | 37.2 Ų | 37.2 | 84.8 Ų | 84.8 | 25% | 0.251 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 114.4 | 173 | -168.2 | 0 | 0 | 0 | 0 | 109.2 | N329 S1018 C1020 | N329-C1016 HydrophobicContact CB-CB 4.21Å; C1016-S1018 VanDerWaalsContact C-N 3.28Å; C1016-S1018 PolarHBondContact O-N 3.06Å; C1016-S1018 PolarHBondContact SG-O 3.12Å; C1016-C1020 HydrophobicContact CB-CB 4.08Å; C1016-C1020 WeakPolarHBondContact CB-SG 3.35Å; C1016-C1020 WeakPolarHBondContact SG-CB 3.36Å; C1016-C1020 PolarHBondContact SG-N 3.15Å; C1016-C1020 VanDerWaalsContact SG-N 3.41Å; C1016-C1020 CovalentContact SG-SG 2.04Å; C1016-C1020 PolarHBondContact SG-SG 3.08Å |
| 1017 | E | 81.6 | Confident | 79.8 | Confident | 159 Ų | 159 | 85 Ų | 85 | 74% | 0.743 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -73.4 | -24.5 | -179.3 | -134.4 | -177.1 | 177.1 | 0 | 0 | 112.8 | V261 I262 Y1015 | V261-E1017 HydrophobicContact CG1-CB 4.23Å; I262-E1017 PolarHBondContact O-N 2.76Å; Y1015-E1017 HydrophobicContact CD1-CB 4.46Å; Y1015-E1017 HydrophobicContact CD1-CG 4.17Å; Y1015-E1017 HydrophobicContact CE1-CB 4Å; Y1015-E1017 HydrophobicContact CE1-CG 4.23Å |
| 1018 | S | 80.8 | Confident | 78.6 | Confident | 78.4 Ų | 78.4 | 88.2 Ų | 88.2 | 55% | 0.548 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -124 | -160.1 | 179.2 | 66.9 | 0 | 0 | 0 | 0 | 111.7 | N263 C1016 C1020 | N263-S1018 VanDerWaalsContact O-CB 3.25Å; N263-S1018 WeakPolarHBondContact O-CB 3.24Å; N263-S1018 PolarHBondContact O-OG 3.25Å; C1016-S1018 VanDerWaalsContact C-N 3.28Å; C1016-S1018 PolarHBondContact O-N 3.06Å; C1016-S1018 PolarHBondContact SG-O 3.12Å; S1018-C1020 PolarHBondContact O-N 3.22Å; S1018-C1020 VanDerWaalsContact O-N 3.15Å |
| 1019 | S | 82.6 | Confident | 77.9 | Confident | 70.6 Ų | 70.6 | 86.4 Ų | 86.4 | 49% | 0.494 | 46% | 0.456 | S | S | . | . | trans | -77.3 | 124.4 | 172.3 | 175.5 | 0 | 0 | 0 | 0 | 110.1 | D1021 | S1019-D1021 VanDerWaalsContact C-N 3.32Å; S1019-D1021 WeakPolarHBondContact CB-OD2 3.45Å; S1019-D1021 PolarHBondContact O-N 3.03Å; S1019-D1021 VanDerWaalsContact O-N 3.09Å; S1019-D1021 VanDerWaalsContact OG-CB 3.28Å; S1019-D1021 WeakPolarHBondContact OG-CB 3.35Å; S1019-D1021 PolarHBondContact OG-N 2.94Å; S1019-D1021 VanDerWaalsContact OG-N 3.12Å; S1019-D1021 PolarHBondContact OG-OD1 3.17Å; S1019-D1021 PolarHBondContact OG-OD2 3.06Å | ||
| 1020 | C | 87.6 | Confident | 78 | Confident | 21.8 Ų | 21.8 | 84.3 Ų | 84.3 | 15% | 0.147 | 44% | 0.444 | C | S | . | . | trans | -98.2 | 26.1 | 172.5 | -83.7 | 0 | 0 | 0 | 0 | 111.6 | N329 Q1004 V1005 C1016 S1018 H1022 | N329-C1020 PolarHBondContact ND2-SG 2.77Å; N329-C1020 VanDerWaalsContact ND2-SG 3.42Å; Q1004-C1020 CarbonylContact C-O 3.52Å; Q1004-C1020 VanDerWaalsContact CA-O 3.3Å; Q1004-C1020 WeakPolarHBondContact CA-O 3.23Å; V1005-C1020 HydrophobicContact CB-CB 4.38Å; V1005-C1020 WeakPolarHBondContact CB-O 3.3Å; V1005-C1020 WeakPolarHBondContact CG2-O 3.25Å; V1005-C1020 PolarHBondContact N-O 3.12Å; V1005-C1020 WeakPolarHBondContact O-CB 3.12Å; C1016-C1020 HydrophobicContact CB-CB 4.08Å; C1016-C1020 WeakPolarHBondContact CB-SG 3.35Å; C1016-C1020 WeakPolarHBondContact SG-CB 3.36Å; C1016-C1020 PolarHBondContact SG-N 3.15Å; C1016-C1020 VanDerWaalsContact SG-N 3.41Å; C1016-C1020 CovalentContact SG-SG 2.04Å; C1016-C1020 PolarHBondContact SG-SG 3.08Å; S1018-C1020 PolarHBondContact O-N 3.22Å; S1018-C1020 VanDerWaalsContact O-N 3.15Å; C1020-H1022 PolarHBondContact O-N 2.87Å | ||
| 1021 | D | 87.8 | Confident | 78.3 | Confident | 68 Ų | 68 | 82.9 Ų | 82.9 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | B | Isolated β-bridge | trans | -67.2 | 138.6 | -179 | -62.7 | -24 | 0 | 0 | 0 | 111.8 | H1000 V1002 P1003 Q1004 S1019 | H1000-D1021 IonicContact ND1-OD1 3.46Å; V1002-D1021 HydrophobicContact CB-CB 4.28Å; V1002-D1021 WeakPolarHBondContact CB-OD1 3.45Å; V1002-D1021 HydrophobicContact CG1-CB 3.85Å; V1002-D1021 HydrophobicContact CG2-CB 3.7Å; V1002-D1021 WeakPolarHBondContact CG2-OD1 3.35Å; P1003-D1021 WeakPolarHBondContact O-CA 3.4Å; Q1004-D1021 VanDerWaalsContact NE2-CG 3.29Å; Q1004-D1021 PolarHBondContact NE2-OD1 3.13Å; S1019-D1021 VanDerWaalsContact C-N 3.32Å; S1019-D1021 WeakPolarHBondContact CB-OD2 3.45Å; S1019-D1021 PolarHBondContact O-N 3.03Å; S1019-D1021 VanDerWaalsContact O-N 3.09Å; S1019-D1021 VanDerWaalsContact OG-CB 3.28Å; S1019-D1021 WeakPolarHBondContact OG-CB 3.35Å; S1019-D1021 PolarHBondContact OG-N 2.94Å; S1019-D1021 VanDerWaalsContact OG-N 3.12Å; S1019-D1021 PolarHBondContact OG-OD1 3.17Å; S1019-D1021 PolarHBondContact OG-OD2 3.06Å |
| 1022 | H | 84.4 | Confident | 78.8 | Confident | 59.2 Ų | 59.2 | 78.9 Ų | 78.9 | 27% | 0.274 | 42% | 0.419 | S | S | . | . | trans | -130.2 | 135.4 | 175.2 | -169.8 | 80.2 | 0 | 0 | 0 | 111.5 | S267 I268 T270 V295 P1003 V1005 C1020 F1024 | S267-H1022 PolarHBondContact O-CE1 3.37Å; S267-H1022 PolarHBondContact O-ND1 3.49Å; I268-H1022 CarbonylContact O-C 3.46Å; I268-H1022 WeakPolarHBondContact O-CA 3.22Å; T270-H1022 VanDerWaalsContact CG2-CE1 3.5Å; T270-H1022 WeakPolarHBondContact CG2-CE1 3.01Å; T270-H1022 PolarHBondContact N-NE2 2.79Å; T270-H1022 PolarHBondContact OG1-NE2 2.88Å; V295-H1022 HydrophobicContact CG1-CB 3.5Å; V295-H1022 VanDerWaalsContact CG1-CB 3.5Å; V295-H1022 VanDerWaalsContact CG1-CD2 3.44Å; V295-H1022 WeakPolarHBondContact CG1-CD2 3.39Å; P1003-H1022 HydrophobicContact CB-CB 4.46Å; P1003-H1022 WeakPolarHBondContact CB-O 3.36Å; P1003-H1022 VanDerWaalsContact CD-O 3.23Å; P1003-H1022 WeakPolarHBondContact CD-O 3.43Å; P1003-H1022 WeakPolarHBondContact CG-O 3.19Å; P1003-H1022 PolarHBondContact O-N 2.95Å; V1005-H1022 HydrophobicContact CG2-CB 4.13Å; C1020-H1022 PolarHBondContact O-N 2.87Å; H1022-F1024 AromaticContact CD2-CE1 3.91Å; H1022-F1024 AromaticContact CD2-CZ 3.89Å; H1022-F1024 AromaticContact NE2-CE1 3.96Å | ||
| 1023 | Q | 81 | Confident | 79.3 | Confident | 121.2 Ų | 121.2 | 78.6 Ų | 78.6 | 57% | 0.566 | 43% | 0.425 | S | S | * | . | trans | -120.6 | 136.2 | 178.9 | -65.6 | -177.6 | -14.3 | 0 | 0 | 111.5 | I268 Q269 T270 V1002 I1025 | I268-Q1023 PolarHBondContact O-N 3.24Å; Q269-Q1023 VanDerWaalsContact CA-O 3.29Å; Q269-Q1023 WeakPolarHBondContact CA-O 3.48Å; Q269-Q1023 HydrophobicContact CG-CB 4.19Å; T270-Q1023 PolarHBondContact N-O 2.81Å; T270-Q1023 VanDerWaalsContact N-O 3.08Å; V1002-Q1023 HydrophobicContact CG1-CG 3.94Å; Q1023-I1025 HydrophobicContact CB-CD1 4.09Å; Q1023-I1025 HydrophobicContact CB-CG1 3.74Å; Q1023-I1025 HydrophobicContact CB-CG2 4.46Å; Q1023-I1025 PolarHBondContact O-N 3.26Å; Q1023-I1025 VanDerWaalsContact O-N 3.11Å | ||
| 1024 | F | 77.3 | Confident | 79.8 | Confident | 131.8 Ų | 131.8 | 80.2 Ų | 80.2 | 58% | 0.578 | 43% | 0.43 | S | S | * | . | trans | -90.7 | 121.6 | 170.2 | -60.1 | -75.9 | 0 | 0 | 0 | 109.6 | T270 V295 L314 I317 P1003 H1022 | T270-F1024 WeakPolarHBondContact O-CA 3.07Å; V295-F1024 HydrophobicContact CB-CZ 4.23Å; V295-F1024 HydrophobicContact CG1-CE1 4.27Å; V295-F1024 HydrophobicContact CG1-CE2 4.43Å; V295-F1024 HydrophobicContact CG1-CZ 3.71Å; L314-F1024 HydrophobicContact CD1-CE1 4.05Å; I317-F1024 HydrophobicContact CD1-CD1 3.45Å; I317-F1024 VanDerWaalsContact CD1-CD1 3.45Å; I317-F1024 HydrophobicContact CD1-CE1 3.32Å; I317-F1024 HydrophobicContact CD1-CE2 4.4Å; I317-F1024 HydrophobicContact CD1-CG 4.08Å; I317-F1024 HydrophobicContact CD1-CZ 3.83Å; P1003-F1024 HydrophobicContact CB-CD2 4.37Å; P1003-F1024 HydrophobicContact CB-CE2 3.98Å; P1003-F1024 HydrophobicContact CG-CD2 3.9Å; P1003-F1024 HydrophobicContact CG-CE2 3.92Å; H1022-F1024 AromaticContact CD2-CE1 3.91Å; H1022-F1024 AromaticContact CD2-CZ 3.89Å; H1022-F1024 AromaticContact NE2-CE1 3.96Å | ||
| 1025 | I | 73.8 | Confident | 80.1 | Confident | 93.8 Ų | 93.8 | 80.6 Ų | 80.6 | 48% | 0.481 | 43% | 0.431 | S | S | . | . | trans | -121.2 | 132.5 | -178.2 | -8.5 | 173.6 | 0 | 0 | 0 | 109.9 | Q269 T270 S271 S272 Q1023 L1027 L1028 | Q269-I1025 HydrophobicContact CB-CD1 4.1Å; Q269-I1025 HydrophobicContact CB-CG1 4.41Å; T270-I1025 WeakPolarHBondContact O-CG1 3.4Å; T270-I1025 PolarHBondContact O-N 2.96Å; S271-I1025 WeakPolarHBondContact CA-O 3.04Å; S272-I1025 PolarHBondContact N-O 3.3Å; Q1023-I1025 HydrophobicContact CB-CD1 4.09Å; Q1023-I1025 HydrophobicContact CB-CG1 3.74Å; Q1023-I1025 HydrophobicContact CB-CG2 4.46Å; Q1023-I1025 PolarHBondContact O-N 3.26Å; Q1023-I1025 VanDerWaalsContact O-N 3.11Å; I1025-L1027 VanDerWaalsContact C-N 3.34Å; I1025-L1027 HydrophobicContact CD1-CD2 4.01Å; I1025-L1027 HydrophobicContact CG1-CD2 4.39Å; I1025-L1027 HydrophobicContact CG1-CG 4.48Å; I1025-L1027 HydrophobicContact CG2-CB 4.3Å; I1025-L1027 HydrophobicContact CG2-CD1 4.28Å; I1025-L1027 PolarHBondContact O-N 3.2Å; I1025-L1028 HydrophobicContact CB-CD1 4.21Å; I1025-L1028 HydrophobicContact CG2-CD1 4.39Å; I1025-L1028 HydrophobicContact CG2-CG 4.35Å | ||
| 1026 | D | 66.6 | Low | 80.5 | Confident | 112.6 Ų | 112.6 | 77.1 Ų | 77.1 | 60% | 0.602 | 42% | 0.421 | S | S | * | . | trans | -77.6 | 55.4 | 176.2 | -95.7 | -23.1 | 0 | 0 | 0 | 111.1 | S272 L1028 S1029 N1113 | S272-D1026 WeakPolarHBondContact CB-OD1 3.38Å; S272-D1026 PolarHBondContact OG-OD1 3.2Å; D1026-L1028 PolarHBondContact O-N 2.68Å; D1026-L1028 VanDerWaalsContact O-N 3.09Å; D1026-S1029 PolarHBondContact O-N 2.66Å; D1026-S1029 PolarHBondContact OD1-OG 3.27Å; D1026-N1113 PolarHBondContact OD1-ND2 2.89Å; D1026-N1113 VanDerWaalsContact OD1-ND2 3.1Å; D1026-N1113 PolarHBondContact OD2-ND2 2.87Å | ||
| 1027 | L | 62 | Low | 80.8 | Confident | 100 Ų | 100 | 77.4 Ų | 77.4 | 52% | 0.524 | 42% | 0.422 | S | S | . | . | trans | -76 | 65.6 | -173.8 | -121.5 | 115.5 | 0 | 0 | 0 | 111.9 | I1025 S1029 K1109 L1112 | I1025-L1027 VanDerWaalsContact C-N 3.34Å; I1025-L1027 HydrophobicContact CD1-CD2 4.01Å; I1025-L1027 HydrophobicContact CG1-CD2 4.39Å; I1025-L1027 HydrophobicContact CG1-CG 4.48Å; I1025-L1027 HydrophobicContact CG2-CB 4.3Å; I1025-L1027 HydrophobicContact CG2-CD1 4.28Å; I1025-L1027 PolarHBondContact O-N 3.2Å; L1027-S1029 VanDerWaalsContact C-N 3.31Å; L1027-S1029 PolarHBondContact O-N 3.2Å; L1027-K1109 HydrophobicContact CD1-CB 3.87Å; L1027-K1109 HydrophobicContact CD2-CB 4.12Å; L1027-K1109 HydrophobicContact CD2-CD 3.67Å; L1027-K1109 HydrophobicContact CD2-CG 4.39Å; L1027-L1112 HydrophobicContact CB-CD2 4.36Å; L1027-L1112 HydrophobicContact CD1-CD2 4.33Å | ||
| 1028 | L | 61.8 | Low | 81.1 | Confident | 134.4 Ų | 134.4 | 74.1 Ų | 74.1 | 70% | 0.704 | 41% | 0.407 | S | S | * | . | trans | -81.4 | 10.4 | 177.9 | -69.9 | 171.2 | 0 | 0 | 0 | 113.9 | I1025 D1026 V1031 K1109 | I1025-L1028 HydrophobicContact CB-CD1 4.21Å; I1025-L1028 HydrophobicContact CG2-CD1 4.39Å; I1025-L1028 HydrophobicContact CG2-CG 4.35Å; D1026-L1028 PolarHBondContact O-N 2.68Å; D1026-L1028 VanDerWaalsContact O-N 3.09Å; L1028-V1031 VanDerWaalsContact O-CG2 3.23Å; L1028-V1031 WeakPolarHBondContact O-CG2 3.26Å; L1028-K1109 HydrophobicContact CB-CD 4.23Å; L1028-K1109 WeakPolarHBondContact O-CD 3.49Å; L1028-K1109 PolarHBondContact O-NZ 3.13Å | ||
| 1029 | S | 68.7 | Low | 81.3 | Confident | 45.4 Ų | 45.4 | 74.4 Ų | 74.4 | 32% | 0.317 | 40% | 0.401 | S | S | . | . | trans | -112.9 | 133 | -179.6 | -105 | 0 | 0 | 0 | 0 | 110.7 | D1026 L1027 V1031 D1052 | D1026-S1029 PolarHBondContact O-N 2.66Å; D1026-S1029 PolarHBondContact OD1-OG 3.27Å; L1027-S1029 VanDerWaalsContact C-N 3.31Å; L1027-S1029 PolarHBondContact O-N 3.2Å; S1029-V1031 PolarHBondContact O-N 2.73Å; S1029-D1052 WeakPolarHBondContact CB-OD2 3.12Å; S1029-D1052 WeakPolarHBondContact OG-CB 3.43Å; S1029-D1052 VanDerWaalsContact OG-CG 3.24Å; S1029-D1052 PolarHBondContact OG-OD2 3.11Å | ||
| 1030 | P | 81.6 | Confident | 81.3 | Confident | 8.6 Ų | 8.6 | 76.2 Ų | 76.2 | 6% | 0.056 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -70.8 | 155.5 | 166.8 | 28 | -33.1 | 0 | 0 | 0 | 112.7 | T1051 D1052 F1053 Y1061 L1106 L1112 | P1030-T1051 WeakPolarHBondContact CA-O 3.29Å; P1030-T1051 VanDerWaalsContact CB-O 3.25Å; P1030-T1051 WeakPolarHBondContact CB-O 3.33Å; P1030-D1052 HydrophobicContact CB-CB 4.28Å; P1030-F1053 HydrophobicContact CB-CD1 3.69Å; P1030-F1053 HydrophobicContact CB-CE1 3.98Å; P1030-F1053 HydrophobicContact CG-CD1 4.17Å; P1030-F1053 HydrophobicContact CG-CE1 4.45Å; P1030-Y1061 HydrophobicContact CG-CE1 4.24Å; P1030-L1106 HydrophobicContact CG-CD1 3.95Å; P1030-L1106 HydrophobicContact CG-CD2 3.92Å; P1030-L1112 HydrophobicContact CG-CD1 4.27Å; P1030-L1112 HydrophobicContact CG-CD2 4.27Å; P1030-L1112 VanDerWaalsContact O-CD1 3.31Å; P1030-L1112 WeakPolarHBondContact O-CD1 3.21Å; P1030-L1112 VanDerWaalsContact O-CD2 3.28Å; P1030-L1112 WeakPolarHBondContact O-CD2 3.33Å; P1030-L1112 WeakPolarHBondContact O-CG 3.35Å |
| 1031 | V | 84.1 | Confident | 81.2 | Confident | 72.6 Ų | 72.6 | 82.7 Ų | 82.7 | 44% | 0.44 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.8 | -175.8 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | L1028 S1029 T1033 G1050 T1051 | L1028-V1031 VanDerWaalsContact O-CG2 3.23Å; L1028-V1031 WeakPolarHBondContact O-CG2 3.26Å; S1029-V1031 PolarHBondContact O-N 2.73Å; V1031-T1033 PolarHBondContact O-N 2.77Å; V1031-G1050 CarbonylContact O-C 3.55Å; V1031-G1050 WeakPolarHBondContact O-CA 3.33Å; V1031-T1051 PolarHBondContact N-O 2.98Å; V1031-T1051 PolarHBondContact O-N 3.13Å |
| 1032 | V | 88 | Confident | 80.9 | Confident | 29.8 Ų | 29.8 | 83 Ų | 83 | 18% | 0.181 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 122.1 | 171.2 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | L1048 N1049 F1053 L1104 L1112 I1116 | V1032-L1048 HydrophobicContact CG1-CB 4.18Å; V1032-L1048 HydrophobicContact CG1-CD2 4.48Å; V1032-N1049 CarbonylContact C-O 3.56Å; V1032-F1053 HydrophobicContact CG2-CE1 4.14Å; V1032-F1053 HydrophobicContact CG2-CZ 3.94Å; V1032-L1104 HydrophobicContact CG2-CB 4.47Å; V1032-L1104 HydrophobicContact CG2-CD2 3.72Å; V1032-L1112 HydrophobicContact CG2-CD1 4Å; V1032-L1112 HydrophobicContact CG2-CD2 3.9Å; V1032-I1116 HydrophobicContact CB-CD1 4.03Å; V1032-I1116 HydrophobicContact CB-CG1 4.22Å; V1032-I1116 HydrophobicContact CG1-CD1 3.92Å; V1032-I1116 HydrophobicContact CG1-CG1 4.1Å; V1032-I1116 HydrophobicContact CG1-CG2 4.3Å; V1032-I1116 HydrophobicContact CG2-CD1 3.81Å; V1032-I1116 HydrophobicContact CG2-CG1 4.47Å |
| 1033 | T | 87.5 | Confident | 81 | Confident | 91.4 Ų | 91.4 | 82.7 Ų | 82.7 | 56% | 0.561 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -40.8 | -178.7 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | V1031 N1049 G1050 | V1031-T1033 PolarHBondContact O-N 2.77Å; T1033-N1049 PolarHBondContact N-O 3.06Å; T1033-N1049 VanDerWaalsContact OG1-C 3.28Å; T1033-N1049 PolarHBondContact OG1-O 3.15Å; T1033-N1049 VanDerWaalsContact OG1-O 3.06Å; T1033-G1050 PolarHBondContact OG1-N 3.31Å |
| 1034 | N | 88.7 | Confident | 81.4 | Confident | 76.2 Ų | 76.2 | 77 Ų | 77 | 41% | 0.407 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 171.4 | 176 | 64.7 | 38.1 | 0 | 0 | 0 | 112.1 | L1048 N1049 | N1034-L1048 WeakPolarHBondContact O-CA 3.32Å; N1034-N1049 PolarHBondContact N-O 3.1Å; N1034-N1049 PolarHBondContact O-N 3.03Å; N1034-N1049 VanDerWaalsContact OD1-CB 3.3Å; N1034-N1049 WeakPolarHBondContact OD1-CB 3.43Å; N1034-N1049 PolarHBondContact OD1-ND2 3.11Å |
| 1035 | S | 90.7 | Very high | 82.1 | Confident | 36.2 Ų | 36.2 | 71.8 Ų | 71.8 | 25% | 0.253 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.6 | 172.6 | 62.4 | 0 | 0 | 0 | 0 | 110.5 | I1047 L1048 N1117 | S1035-I1047 CarbonylContact C-O 3.48Å; S1035-I1047 WeakPolarHBondContact CA-O 3.31Å; S1035-L1048 VanDerWaalsContact CB-CD2 3.49Å; S1035-N1117 PolarHBondContact OG-O 2.83Å; S1035-N1117 VanDerWaalsContact OG-O 3.09Å |
| 1036 | I | 90.4 | Very high | 83 | Confident | 70.2 Ų | 70.2 | 67.3 Ų | 67.3 | 36% | 0.36 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 133.9 | 177 | -56.7 | 179.9 | 0 | 0 | 0 | 108.5 | Q1038 L1046 I1047 N1049 | I1036-Q1038 HydrophobicContact CG2-CG 4.23Å; I1036-L1046 CarbonylContact O-C 3.59Å; I1036-L1046 WeakPolarHBondContact O-CA 3.36Å; I1036-I1047 HydrophobicContact CB-CB 4.44Å; I1036-I1047 PolarHBondContact N-O 2.84Å; I1036-I1047 PolarHBondContact O-N 3Å; I1036-N1049 VanDerWaalsContact CD1-ND2 3.28Å; I1036-N1049 WeakPolarHBondContact CD1-ND2 3.3Å |
| 1037 | V | 88.8 | Confident | 84.3 | Confident | 44.8 Ų | 44.8 | 62.5 Ų | 62.5 | 27% | 0.272 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 129.1 | 173 | 176 | 0 | 0 | 0 | 0 | 109.3 | L1044 T1045 L1046 Q1119 L1120 | V1037-L1044 HydrophobicContact CG1-CD1 3.68Å; V1037-L1044 HydrophobicContact CG1-CD2 3.91Å; V1037-L1044 HydrophobicContact CG1-CG 3.63Å; V1037-T1045 WeakPolarHBondContact CA-O 3.39Å; V1037-L1046 HydrophobicContact CG2-CB 4.47Å; V1037-L1046 HydrophobicContact CG2-CD1 3.8Å; V1037-Q1119 VanDerWaalsContact CG2-O 3.32Å; V1037-Q1119 WeakPolarHBondContact CG2-O 3.39Å; V1037-L1120 HydrophobicContact CG2-CD2 4.19Å |
| 1038 | Q | 88.7 | Confident | 85.8 | Confident | 88.8 Ų | 88.8 | 57.7 Ų | 57.7 | 42% | 0.415 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 137.2 | 175.9 | -64.6 | -176.9 | -8.4 | 0 | 0 | 109.5 | I1036 L1044 T1045 I1047 | I1036-Q1038 HydrophobicContact CG2-CG 4.23Å; Q1038-L1044 CarbonylContact O-C 3.56Å; Q1038-L1044 WeakPolarHBondContact O-CA 3.34Å; Q1038-T1045 PolarHBondContact N-O 2.85Å; Q1038-T1045 PolarHBondContact O-N 3.21Å; Q1038-I1047 VanDerWaalsContact CD-CD1 3.5Å; Q1038-I1047 HydrophobicContact CG-CD1 4.3Å |
| 1039 | I | 84.9 | Confident | 87.3 | Confident | 84.8 Ų | 84.8 | 52.6 Ų | 52.6 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 115 | 173.6 | -57.8 | 170 | 0 | 0 | 0 | 107.8 | N1043 L1044 V1092 | I1039-N1043 CarbonylContact C-O 3.55Å; I1039-N1043 VanDerWaalsContact CA-O 3.3Å; I1039-N1043 WeakPolarHBondContact CA-O 3.31Å; I1039-L1044 HydrophobicContact CD1-CD1 4.34Å; I1039-L1044 HydrophobicContact CG1-CB 4.18Å; I1039-L1044 HydrophobicContact CG1-CD1 4.2Å; I1039-L1044 HydrophobicContact CG1-CG 4.15Å; I1039-V1092 HydrophobicContact CD1-CG2 4.07Å |
| 1040 | I | 83.7 | Confident | 88.4 | Confident | 108.8 Ų | 108.8 | 50.7 Ų | 50.7 | 56% | 0.558 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 126.5 | -179.9 | -56.5 | 176.1 | 0 | 0 | 0 | 107.5 | N1042 N1043 | I1040-N1042 PolarHBondContact O-N 3.24Å; I1040-N1043 PolarHBondContact N-O 2.75Å; I1040-N1043 PolarHBondContact O-N 3.05Å |
| 1041 | N | 84.1 | Confident | 88.7 | Confident | 159 Ų | 159 | 53.5 Ų | 53.5 | 85% | 0.85 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 42.5 | -178.3 | -62.5 | -16.1 | 0 | 0 | 0 | 113.5 | N1043 | N1041-N1043 PolarHBondContact O-N 2.93Å; N1041-N1043 VanDerWaalsContact O-N 3.16Å |
| 1042 | N | 82.7 | Confident | 88.8 | Confident | 72.8 Ų | 72.8 | 55.4 Ų | 55.4 | 39% | 0.389 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 6.5 | -178.2 | -135.4 | 52.9 | 0 | 0 | 0 | 115.7 | I1040 N1091 V1092 N1093 | I1040-N1042 PolarHBondContact O-N 3.24Å; N1042-N1091 PolarHBondContact ND2-ND2 3.45Å; N1042-N1091 PolarHBondContact ND2-OD1 2.93Å; N1042-N1091 VanDerWaalsContact ND2-OD1 3.11Å; N1042-N1091 CarbonylContact O-C 3.51Å; N1042-N1091 WeakPolarHBondContact O-CA 3.43Å; N1042-N1091 PolarHBondContact O-OD1 2.66Å; N1042-V1092 WeakPolarHBondContact ND2-CG1 3.13Å; N1042-V1092 WeakPolarHBondContact O-CB 3.34Å; N1042-V1092 WeakPolarHBondContact O-CG1 3.13Å; N1042-V1092 PolarHBondContact O-N 2.86Å; N1042-V1092 WeakPolarHBondContact OD1-CG1 3.11Å; N1042-N1093 PolarHBondContact ND2-OD1 3.26Å |
| 1043 | N | 86.5 | Confident | 88.9 | Confident | 54.4 Ų | 54.4 | 54.3 Ų | 54.3 | 29% | 0.291 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.8 | 168.2 | -80.2 | 3.4 | 0 | 0 | 0 | 110.2 | I1039 I1040 N1041 N1089 Q1090 N1091 | I1039-N1043 CarbonylContact C-O 3.55Å; I1039-N1043 VanDerWaalsContact CA-O 3.3Å; I1039-N1043 WeakPolarHBondContact CA-O 3.31Å; I1040-N1043 PolarHBondContact N-O 2.75Å; I1040-N1043 PolarHBondContact O-N 3.05Å; N1041-N1043 PolarHBondContact O-N 2.93Å; N1041-N1043 VanDerWaalsContact O-N 3.16Å; N1043-N1089 PolarHBondContact ND2-O 3.18Å; N1043-N1089 PolarHBondContact ND2-OD1 2.93Å; N1043-Q1090 CarbonylContact C-O 3.45Å; N1043-Q1090 VanDerWaalsContact CA-O 3.26Å; N1043-Q1090 WeakPolarHBondContact CA-O 3.35Å; N1043-N1091 WeakPolarHBondContact OD1-CA 3.32Å; N1043-N1091 PolarHBondContact OD1-N 3.18Å |
| 1044 | L | 89.8 | Confident | 88.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133.8 | 175.6 | -175.9 | 154.9 | 0 | 0 | 0 | 109.7 | V1037 Q1038 I1039 F1088 Q1090 V1092 I1095 L1120 | V1037-L1044 HydrophobicContact CG1-CD1 3.68Å; V1037-L1044 HydrophobicContact CG1-CD2 3.91Å; V1037-L1044 HydrophobicContact CG1-CG 3.63Å; Q1038-L1044 CarbonylContact O-C 3.56Å; Q1038-L1044 WeakPolarHBondContact O-CA 3.34Å; I1039-L1044 HydrophobicContact CD1-CD1 4.34Å; I1039-L1044 HydrophobicContact CG1-CB 4.18Å; I1039-L1044 HydrophobicContact CG1-CD1 4.2Å; I1039-L1044 HydrophobicContact CG1-CG 4.15Å; L1044-F1088 HydrophobicContact CD2-CB 4.31Å; L1044-F1088 HydrophobicContact CD2-CD2 4.09Å; L1044-F1088 HydrophobicContact CD2-CG 4.35Å; L1044-F1088 CarbonylContact O-C 3.54Å; L1044-F1088 VanDerWaalsContact O-CB 3.3Å; L1044-F1088 WeakPolarHBondContact O-CB 3.25Å; L1044-F1088 VanDerWaalsContact O-O 3.09Å; L1044-Q1090 PolarHBondContact N-O 2.99Å; L1044-V1092 HydrophobicContact CB-CB 4.19Å; L1044-V1092 HydrophobicContact CB-CG2 4.11Å; L1044-V1092 HydrophobicContact CD1-CG2 3.91Å; L1044-I1095 HydrophobicContact CB-CD1 3.84Å; L1044-I1095 HydrophobicContact CD1-CD1 4.41Å; L1044-I1095 HydrophobicContact CD2-CD1 3.97Å; L1044-I1095 HydrophobicContact CG-CD1 4.34Å; L1044-L1120 HydrophobicContact CD1-CD2 4.38Å; L1044-L1120 HydrophobicContact CD2-CD2 4.22Å |
| 1045 | T | 91.7 | Very high | 88.9 | Confident | 23.4 Ų | 23.4 | 51.4 Ų | 51.4 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 126.1 | 171.6 | -64 | 0 | 0 | 0 | 0 | 109.8 | V1037 Q1038 I1047 F1078 Y1086 F1087 F1088 | V1037-T1045 WeakPolarHBondContact CA-O 3.39Å; Q1038-T1045 PolarHBondContact N-O 2.85Å; Q1038-T1045 PolarHBondContact O-N 3.21Å; T1045-I1047 HydrophobicContact CG2-CG1 4.12Å; T1045-F1078 HydrophobicContact CG2-CE1 4.11Å; T1045-F1078 HydrophobicContact CG2-CZ 4.13Å; T1045-Y1086 HydrophobicContact CG2-CD1 4.21Å; T1045-F1087 WeakPolarHBondContact CA-O 3.39Å; T1045-F1088 VanDerWaalsContact CA-O 3.3Å; T1045-F1088 WeakPolarHBondContact CA-O 3.36Å; T1045-F1088 WeakPolarHBondContact CB-O 3.37Å; T1045-F1088 PolarHBondContact OG1-O 3.1Å; T1045-F1088 VanDerWaalsContact OG1-O 3.05Å |
| 1046 | L | 92.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 129.3 | 171.4 | 169.9 | 68.3 | 0 | 0 | 0 | 108.8 | I1036 V1037 L1048 L1063 Y1086 F1087 F1088 I1118 | I1036-L1046 CarbonylContact O-C 3.59Å; I1036-L1046 WeakPolarHBondContact O-CA 3.36Å; V1037-L1046 HydrophobicContact CG2-CB 4.47Å; V1037-L1046 HydrophobicContact CG2-CD1 3.8Å; L1046-L1048 HydrophobicContact CD1-CD2 4.18Å; L1046-L1048 HydrophobicContact CD2-CD2 4.4Å; L1046-L1048 HydrophobicContact CG-CD2 4.3Å; L1046-L1063 HydrophobicContact CD2-CD2 3.69Å; L1046-L1063 VanDerWaalsContact CD2-CD2 3.44Å; L1046-Y1086 CarbonylContact O-C 3.53Å; L1046-Y1086 WeakPolarHBondContact O-CA 3.38Å; L1046-F1087 HydrophobicContact CB-CB 4.18Å; L1046-F1087 HydrophobicContact CD2-CB 4.23Å; L1046-F1087 HydrophobicContact CD2-CD2 4.44Å; L1046-F1087 HydrophobicContact CG-CB 4.46Å; L1046-F1087 PolarHBondContact N-O 3.02Å; L1046-F1087 PolarHBondContact O-N 3.17Å; L1046-F1087 VanDerWaalsContact O-O 3.12Å; L1046-F1088 HydrophobicContact CB-CD2 3.68Å; L1046-F1088 HydrophobicContact CB-CE2 4.12Å; L1046-F1088 HydrophobicContact CD2-CD2 4.35Å; L1046-F1088 HydrophobicContact CD2-CE2 3.96Å; L1046-I1118 HydrophobicContact CD1-CG1 4.5Å; L1046-I1118 HydrophobicContact CD1-CG2 3.8Å; L1046-I1118 HydrophobicContact CD2-CD1 3.95Å; L1046-I1118 HydrophobicContact CD2-CG1 4.46Å; L1046-I1118 HydrophobicContact CD2-CG2 3.95Å; L1046-I1118 HydrophobicContact CG-CG2 4.47Å |
| 1047 | I | 93.6 | Very high | 88.9 | Confident | 10.4 Ų | 10.4 | 54.5 Ų | 54.5 | 5% | 0.053 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 116.5 | 178.4 | -46.5 | 175.4 | 0 | 0 | 0 | 107.4 | S1035 I1036 Q1038 T1045 N1049 N1084 L1085 Y1086 | S1035-I1047 CarbonylContact C-O 3.48Å; S1035-I1047 WeakPolarHBondContact CA-O 3.31Å; I1036-I1047 HydrophobicContact CB-CB 4.44Å; I1036-I1047 PolarHBondContact N-O 2.84Å; I1036-I1047 PolarHBondContact O-N 3Å; Q1038-I1047 VanDerWaalsContact CD-CD1 3.5Å; Q1038-I1047 HydrophobicContact CG-CD1 4.3Å; T1045-I1047 HydrophobicContact CG2-CG1 4.12Å; I1047-N1049 VanDerWaalsContact CG2-OD1 3.31Å; I1047-N1049 WeakPolarHBondContact CG2-OD1 3.29Å; I1047-N1084 HydrophobicContact CG2-CB 4.03Å; I1047-L1085 CarbonylContact C-O 3.52Å; I1047-L1085 WeakPolarHBondContact CA-O 3.26Å; I1047-Y1086 HydrophobicContact CB-CD1 4.42Å; I1047-Y1086 HydrophobicContact CB-CE1 4.48Å; I1047-Y1086 HydrophobicContact CD1-CD1 4.04Å; I1047-Y1086 HydrophobicContact CD1-CE1 3.7Å; I1047-Y1086 HydrophobicContact CG1-CD1 3.71Å; I1047-Y1086 HydrophobicContact CG1-CE1 3.85Å; I1047-Y1086 HydrophobicContact CG2-CD1 4.09Å; I1047-Y1086 HydrophobicContact CG2-CE1 3.86Å; I1047-Y1086 HydrophobicContact CG2-CG 4.5Å |
| 1048 | L | 93.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 118.6 | 168.1 | -58.5 | -173.6 | 0 | 0 | 0 | 108.4 | V1032 N1034 S1035 L1046 F1053 L1063 N1084 L1085 F1087 L1104 I1116 I1118 | V1032-L1048 HydrophobicContact CG1-CB 4.18Å; V1032-L1048 HydrophobicContact CG1-CD2 4.48Å; N1034-L1048 WeakPolarHBondContact O-CA 3.32Å; S1035-L1048 VanDerWaalsContact CB-CD2 3.49Å; L1046-L1048 HydrophobicContact CD1-CD2 4.18Å; L1046-L1048 HydrophobicContact CD2-CD2 4.4Å; L1046-L1048 HydrophobicContact CG-CD2 4.3Å; L1048-F1053 WeakPolarHBondContact O-CE2 3.37Å; L1048-L1063 HydrophobicContact CD1-CD1 4.23Å; L1048-L1063 HydrophobicContact CD1-CD2 4.31Å; L1048-N1084 CarbonylContact O-C 3.44Å; L1048-N1084 VanDerWaalsContact O-CA 3.3Å; L1048-N1084 WeakPolarHBondContact O-CA 3.31Å; L1048-L1085 HydrophobicContact CB-CB 4.32Å; L1048-L1085 PolarHBondContact N-O 2.97Å; L1048-L1085 PolarHBondContact O-N 2.93Å; L1048-F1087 HydrophobicContact CB-CE2 4.41Å; L1048-F1087 HydrophobicContact CD1-CD2 4.27Å; L1048-F1087 HydrophobicContact CD1-CE2 3.6Å; L1048-F1087 HydrophobicContact CD1-CZ 4.28Å; L1048-F1087 HydrophobicContact CG-CD2 4.13Å; L1048-F1087 HydrophobicContact CG-CE2 3.83Å; L1048-L1104 HydrophobicContact CD1-CD1 4.44Å; L1048-L1104 HydrophobicContact CD1-CD2 4.42Å; L1048-I1116 HydrophobicContact CD1-CD1 4.06Å; L1048-I1116 HydrophobicContact CD2-CG2 4.29Å; L1048-I1118 HydrophobicContact CD2-CD1 4.37Å; L1048-I1118 HydrophobicContact CD2-CG1 4.33Å |
| 1049 | N | 92.8 | Very high | 88.7 | Confident | 26.2 Ų | 26.2 | 55.5 Ų | 55.5 | 14% | 0.14 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 146.7 | 176 | -55 | -44.5 | 0 | 0 | 0 | 109.9 | V1032 T1033 N1034 I1036 I1047 T1083 N1084 | V1032-N1049 CarbonylContact C-O 3.56Å; T1033-N1049 PolarHBondContact N-O 3.06Å; T1033-N1049 VanDerWaalsContact OG1-C 3.28Å; T1033-N1049 PolarHBondContact OG1-O 3.15Å; T1033-N1049 VanDerWaalsContact OG1-O 3.06Å; N1034-N1049 PolarHBondContact N-O 3.1Å; N1034-N1049 PolarHBondContact O-N 3.03Å; N1034-N1049 VanDerWaalsContact OD1-CB 3.3Å; N1034-N1049 WeakPolarHBondContact OD1-CB 3.43Å; N1034-N1049 PolarHBondContact OD1-ND2 3.11Å; I1036-N1049 VanDerWaalsContact CD1-ND2 3.28Å; I1036-N1049 WeakPolarHBondContact CD1-ND2 3.3Å; I1047-N1049 VanDerWaalsContact CG2-OD1 3.31Å; I1047-N1049 WeakPolarHBondContact CG2-OD1 3.29Å; N1049-T1083 CarbonylContact C-O 3.5Å; N1049-T1083 VanDerWaalsContact CA-O 3.28Å; N1049-T1083 WeakPolarHBondContact CA-O 3.31Å; N1049-N1084 VanDerWaalsContact OD1-CG 3.23Å; N1049-N1084 PolarHBondContact OD1-ND2 3.26Å; N1049-N1084 PolarHBondContact OD1-OD1 2.91Å; N1049-N1084 VanDerWaalsContact OD1-OD1 3.06Å |
| 1050 | G | 90.8 | Very high | 88.9 | Confident | 7.2 Ų | 7.2 | 52.9 Ų | 52.9 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.7 | -166 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1031 T1033 F1053 T1083 | V1031-G1050 CarbonylContact O-C 3.55Å; V1031-G1050 WeakPolarHBondContact O-CA 3.33Å; T1033-G1050 PolarHBondContact OG1-N 3.31Å; G1050-F1053 VanDerWaalsContact N-CE2 3.34Å; G1050-T1083 PolarHBondContact N-O 3.1Å; G1050-T1083 VanDerWaalsContact O-CA 3.3Å; G1050-T1083 WeakPolarHBondContact O-CA 3.38Å; G1050-T1083 VanDerWaalsContact O-O 3.07Å |
| 1051 | T | 88.3 | Confident | 89.3 | Confident | 66.6 Ų | 66.6 | 47.7 Ų | 47.7 | 41% | 0.409 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 155.7 | 176.1 | 59.9 | 0 | 0 | 0 | 0 | 110.9 | P1030 V1031 F1053 | P1030-T1051 WeakPolarHBondContact CA-O 3.29Å; P1030-T1051 VanDerWaalsContact CB-O 3.25Å; P1030-T1051 WeakPolarHBondContact CB-O 3.33Å; V1031-T1051 PolarHBondContact N-O 2.98Å; V1031-T1051 PolarHBondContact O-N 3.13Å; T1051-F1053 VanDerWaalsContact C-N 3.26Å; T1051-F1053 PolarHBondContact O-N 3.15Å; T1051-F1053 VanDerWaalsContact O-N 3.15Å |
| 1052 | D | 86.7 | Confident | 89.7 | Confident | 112 Ų | 112 | 40.9 Ų | 40.9 | 60% | 0.599 | 24% | 0.235 | S | C | * | . | S | Bend | trans | 60.8 | 25.8 | 176.5 | -54 | -45.1 | 0 | 0 | 0 | 114.9 | S1029 P1030 | S1029-D1052 WeakPolarHBondContact CB-OD2 3.12Å; S1029-D1052 WeakPolarHBondContact OG-CB 3.43Å; S1029-D1052 VanDerWaalsContact OG-CG 3.24Å; S1029-D1052 PolarHBondContact OG-OD2 3.11Å; P1030-D1052 HydrophobicContact CB-CB 4.28Å |
| 1053 | F | 89.8 | Confident | 90.2 | Very high | 6.4 Ų | 6.4 | 37.5 Ų | 37.5 | 3% | 0.028 | 22% | 0.216 | C | C | . | . | trans | -70 | 145.6 | 170.9 | -63.3 | -31.8 | 0 | 0 | 0 | 111.3 | P1030 V1032 L1048 G1050 T1051 A1055 Y1061 T1081 T1082 T1083 L1085 L1104 | P1030-F1053 HydrophobicContact CB-CD1 3.69Å; P1030-F1053 HydrophobicContact CB-CE1 3.98Å; P1030-F1053 HydrophobicContact CG-CD1 4.17Å; P1030-F1053 HydrophobicContact CG-CE1 4.45Å; V1032-F1053 HydrophobicContact CG2-CE1 4.14Å; V1032-F1053 HydrophobicContact CG2-CZ 3.94Å; L1048-F1053 WeakPolarHBondContact O-CE2 3.37Å; G1050-F1053 VanDerWaalsContact N-CE2 3.34Å; T1051-F1053 VanDerWaalsContact C-N 3.26Å; T1051-F1053 PolarHBondContact O-N 3.15Å; T1051-F1053 VanDerWaalsContact O-N 3.15Å; F1053-A1055 PolarHBondContact O-N 3.07Å; F1053-Y1061 VanDerWaalsContact CA-OH 3.3Å; F1053-Y1061 WeakPolarHBondContact CA-OH 3.4Å; F1053-Y1061 HydrophobicContact CD1-CE1 4.29Å; F1053-T1081 VanDerWaalsContact CB-O 3.28Å; F1053-T1081 WeakPolarHBondContact CB-O 3.37Å; F1053-T1082 PolarHBondContact N-O 3.32Å; F1053-T1082 WeakPolarHBondContact O-CA 3.33Å; F1053-T1083 VanDerWaalsContact CD2-C 3.46Å; F1053-T1083 WeakPolarHBondContact CE2-O 3.39Å; F1053-L1085 HydrophobicContact CB-CD2 4.1Å; F1053-L1085 HydrophobicContact CB-CG 4.5Å; F1053-L1085 HydrophobicContact CD1-CD1 4.09Å; F1053-L1085 HydrophobicContact CD1-CD2 4.37Å; F1053-L1085 HydrophobicContact CD1-CG 4.17Å; F1053-L1085 HydrophobicContact CD2-CD1 4.35Å; F1053-L1085 HydrophobicContact CD2-CD2 4.04Å; F1053-L1085 HydrophobicContact CD2-CG 3.7Å; F1053-L1085 HydrophobicContact CE1-CD1 3.94Å; F1053-L1085 HydrophobicContact CE1-CG 4.27Å; F1053-L1085 HydrophobicContact CE2-CD1 4.2Å; F1053-L1085 HydrophobicContact CE2-CD2 4.44Å; F1053-L1085 HydrophobicContact CE2-CG 3.79Å; F1053-L1085 HydrophobicContact CG-CD1 4.31Å; F1053-L1085 HydrophobicContact CG-CD2 3.95Å; F1053-L1085 HydrophobicContact CG-CG 3.95Å; F1053-L1085 HydrophobicContact CZ-CD1 4Å; F1053-L1085 HydrophobicContact CZ-CG 4.12Å; F1053-L1104 HydrophobicContact CE1-CD2 4.32Å | ||
| 1054 | I | 88.7 | Confident | 90.4 | Very high | 70.2 Ų | 70.2 | 36 Ų | 36 | 36% | 0.36 | 21% | 0.207 | S | C | . | . | trans | -82.5 | 106.8 | 177.2 | -50.3 | 170.9 | 0 | 0 | 0 | 107.5 | S1057 Y1061 T1080 L1106 | I1054-S1057 VanDerWaalsContact CG2-OG 3.29Å; I1054-S1057 WeakPolarHBondContact CG2-OG 3.23Å; I1054-Y1061 HydrophobicContact CB-CE2 4.2Å; I1054-Y1061 WeakPolarHBondContact CG1-OH 2.96Å; I1054-Y1061 PolarHBondContact N-OH 3.11Å; I1054-T1080 WeakPolarHBondContact O-CB 3.43Å; I1054-T1080 PolarHBondContact O-OG1 3.1Å; I1054-T1080 VanDerWaalsContact O-OG1 3.05Å; I1054-L1106 HydrophobicContact CD1-CD1 4.17Å; I1054-L1106 HydrophobicContact CD1-CD2 4.27Å | ||
| 1055 | A | 88.7 | Confident | 90.4 | Very high | 36.6 Ų | 36.6 | 36.1 Ų | 36.1 | 30% | 0.302 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 149.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | F1053 S1057 T1080 T1082 | F1053-A1055 PolarHBondContact O-N 3.07Å; A1055-S1057 PolarHBondContact O-N 3.04Å; A1055-S1057 VanDerWaalsContact O-N 3.09Å; A1055-S1057 PolarHBondContact O-OG 3.14Å; A1055-S1057 VanDerWaalsContact O-OG 3.1Å; A1055-T1080 WeakPolarHBondContact CA-O 3.07Å; A1055-T1082 HydrophobicContact CB-CG2 3.97Å |
| 1056 | N | 89.5 | Confident | 90.1 | Very high | 136 Ų | 136 | 36 Ų | 36 | 73% | 0.727 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 26 | 177.1 | -55.9 | -35.5 | 0 | 0 | 0 | 114.8 | P1058 T1080 | N1056-P1058 VanDerWaalsContact C-CD 3.42Å; N1056-P1058 WeakPolarHBondContact O-CD 3.16Å; N1056-T1080 PolarHBondContact N-O 3.17Å; N1056-T1080 PolarHBondContact N-OG1 3.18Å; N1056-T1080 VanDerWaalsContact N-OG1 3.09Å |
| 1057 | S | 90 | Very high | 89.7 | Confident | 36.4 Ų | 36.4 | 37.6 Ų | 37.6 | 26% | 0.255 | 21% | 0.213 | S | C | . | . | trans | -128.9 | 61.6 | -176.3 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | I1054 A1055 N1059 S1060 Y1061 T1080 | I1054-S1057 VanDerWaalsContact CG2-OG 3.29Å; I1054-S1057 WeakPolarHBondContact CG2-OG 3.23Å; A1055-S1057 PolarHBondContact O-N 3.04Å; A1055-S1057 VanDerWaalsContact O-N 3.09Å; A1055-S1057 PolarHBondContact O-OG 3.14Å; A1055-S1057 VanDerWaalsContact O-OG 3.1Å; S1057-N1059 VanDerWaalsContact C-N 3.28Å; S1057-N1059 PolarHBondContact O-N 3.01Å; S1057-S1060 WeakPolarHBondContact CB-OG 3.41Å; S1057-S1060 VanDerWaalsContact O-CB 3.31Å; S1057-S1060 WeakPolarHBondContact O-CB 3.31Å; S1057-S1060 PolarHBondContact O-N 2.99Å; S1057-S1060 VanDerWaalsContact O-N 3.13Å; S1057-S1060 PolarHBondContact O-OG 2.05Å; S1057-Y1061 WeakPolarHBondContact O-CD2 3.5Å; S1057-T1080 PolarHBondContact N-OG1 3.19Å | ||
| 1058 | P | 88 | Confident | 89 | Confident | 37.2 Ų | 37.2 | 42.9 Ų | 42.9 | 24% | 0.242 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -58.7 | -38 | -178.2 | 21.5 | -31.5 | 0 | 0 | 0 | 113.1 | N1056 S1060 Y1061 P1077 T1080 | N1056-P1058 VanDerWaalsContact C-CD 3.42Å; N1056-P1058 WeakPolarHBondContact O-CD 3.16Å; P1058-S1060 PolarHBondContact O-N 3.22Å; P1058-S1060 VanDerWaalsContact O-N 3.11Å; P1058-Y1061 PolarHBondContact O-N 3.13Å; P1058-Y1061 VanDerWaalsContact O-N 3.1Å; P1058-P1077 HydrophobicContact CB-CG 4.39Å; P1058-P1077 WeakPolarHBondContact CB-O 3.35Å; P1058-P1077 WeakPolarHBondContact O-CD 3.37Å; P1058-T1080 HydrophobicContact CB-CG2 4.34Å |
| 1059 | N | 86.9 | Confident | 88.2 | Confident | 116.4 Ų | 116.4 | 49.2 Ų | 49.2 | 62% | 0.622 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -65.1 | -13.3 | 178.6 | -61.3 | -6.3 | 0 | 0 | 0 | 113.6 | S1057 Y1061 I1107 | S1057-N1059 VanDerWaalsContact C-N 3.28Å; S1057-N1059 PolarHBondContact O-N 3.01Å; N1059-Y1061 VanDerWaalsContact C-N 3.31Å; N1059-Y1061 PolarHBondContact O-N 3.22Å; N1059-I1107 WeakPolarHBondContact O-CD1 3.26Å |
| 1060 | S | 88.9 | Confident | 87.6 | Confident | 30.2 Ų | 30.2 | 53.4 Ų | 53.4 | 21% | 0.211 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -77.8 | -11.9 | 177.6 | -59.7 | 0 | 0 | 0 | 0 | 113 | S1057 P1058 L1106 I1107 | S1057-S1060 WeakPolarHBondContact CB-OG 3.41Å; S1057-S1060 VanDerWaalsContact O-CB 3.31Å; S1057-S1060 WeakPolarHBondContact O-CB 3.31Å; S1057-S1060 PolarHBondContact O-N 2.99Å; S1057-S1060 VanDerWaalsContact O-N 3.13Å; S1057-S1060 PolarHBondContact O-OG 2.05Å; P1058-S1060 PolarHBondContact O-N 3.22Å; P1058-S1060 VanDerWaalsContact O-N 3.11Å; S1060-L1106 CarbonylContact O-C 3.47Å; S1060-L1106 VanDerWaalsContact O-CA 3.31Å; S1060-L1106 WeakPolarHBondContact O-CA 3.34Å; S1060-L1106 WeakPolarHBondContact O-CD1 3.22Å; S1060-I1107 PolarHBondContact O-N 3.21Å |
| 1061 | Y | 91.2 | Very high | 87.2 | Confident | 0.6 Ų | 0.6 | 58 Ų | 58 | 0% | 0.002 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 142.8 | -172.8 | -65 | -83.3 | 0 | 0 | 0 | 112.3 | P1030 F1053 I1054 S1057 P1058 N1059 Q1076 P1077 T1080 L1085 L1104 R1105 L1106 | P1030-Y1061 HydrophobicContact CG-CE1 4.24Å; F1053-Y1061 VanDerWaalsContact CA-OH 3.3Å; F1053-Y1061 WeakPolarHBondContact CA-OH 3.4Å; F1053-Y1061 HydrophobicContact CD1-CE1 4.29Å; I1054-Y1061 HydrophobicContact CB-CE2 4.2Å; I1054-Y1061 WeakPolarHBondContact CG1-OH 2.96Å; I1054-Y1061 PolarHBondContact N-OH 3.11Å; S1057-Y1061 WeakPolarHBondContact O-CD2 3.5Å; P1058-Y1061 PolarHBondContact O-N 3.13Å; P1058-Y1061 VanDerWaalsContact O-N 3.1Å; N1059-Y1061 VanDerWaalsContact C-N 3.31Å; N1059-Y1061 PolarHBondContact O-N 3.22Å; Y1061-Q1076 WeakPolarHBondContact O-CG 3.4Å; Y1061-Q1076 PolarHBondContact O-NE2 2.84Å; Y1061-P1077 HydrophobicContact CD2-CG 4.46Å; Y1061-P1077 HydrophobicContact CG-CG 4.47Å; Y1061-P1077 VanDerWaalsContact O-CD 3.24Å; Y1061-P1077 WeakPolarHBondContact O-CD 3.28Å; Y1061-T1080 HydrophobicContact CD2-CG2 4.11Å; Y1061-T1080 HydrophobicContact CE2-CG2 4.44Å; Y1061-L1085 HydrophobicContact CD1-CD1 3.87Å; Y1061-L1085 HydrophobicContact CD1-CD2 4.46Å; Y1061-L1085 HydrophobicContact CD2-CD1 4.44Å; Y1061-L1085 HydrophobicContact CD2-CD2 3.92Å; Y1061-L1085 HydrophobicContact CE1-CD1 4.08Å; Y1061-L1085 HydrophobicContact CE1-CD2 4.43Å; Y1061-L1085 HydrophobicContact CE2-CD2 3.89Å; Y1061-L1085 HydrophobicContact CG-CD1 4.17Å; Y1061-L1085 HydrophobicContact CG-CD2 4.26Å; Y1061-L1104 HydrophobicContact CD1-CD1 4Å; Y1061-L1104 HydrophobicContact CD1-CD2 4.11Å; Y1061-L1104 HydrophobicContact CD1-CG 4.16Å; Y1061-L1104 HydrophobicContact CE1-CD2 4.31Å; Y1061-R1105 CarbonylContact C-O 3.54Å; Y1061-R1105 VanDerWaalsContact CA-O 3.28Å; Y1061-R1105 WeakPolarHBondContact CA-O 3.35Å; Y1061-L1106 HydrophobicContact CD1-CD1 3.77Å; Y1061-L1106 HydrophobicContact CD1-CG 3.91Å; Y1061-L1106 HydrophobicContact CE1-CD1 3.28Å; Y1061-L1106 HydrophobicContact CE1-CD2 4.13Å; Y1061-L1106 HydrophobicContact CE1-CG 3.94Å; Y1061-L1106 HydrophobicContact CE2-CD1 4.29Å; Y1061-L1106 HydrophobicContact CG-CD1 4.32Å; Y1061-L1106 VanDerWaalsContact CZ-CD1 3.49Å |
| 1062 | E | 92.2 | Very high | 87 | Confident | 16.4 Ų | 16.4 | 56.2 Ų | 56.2 | 8% | 0.077 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 132.2 | 166.4 | -65.2 | -177.2 | 147.9 | 0 | 0 | 109.4 | F1064 K1074 E1075 Q1076 L1104 R1105 I1107 | E1062-F1064 HydrophobicContact CB-CD2 4.41Å; E1062-F1064 HydrophobicContact CB-CE2 3.75Å; E1062-F1064 HydrophobicContact CB-CZ 4.35Å; E1062-F1064 WeakPolarHBondContact OE2-CZ 3.34Å; E1062-K1074 VanDerWaalsContact CD-CE 3.43Å; E1062-K1074 VanDerWaalsContact OE1-CE 3.23Å; E1062-K1074 WeakPolarHBondContact OE1-CE 3.48Å; E1062-K1074 IonicContact OE1-NZ 3.08Å; E1062-K1074 PolarHBondContact OE1-NZ 3.16Å; E1062-K1074 VanDerWaalsContact OE2-CE 3.28Å; E1062-K1074 WeakPolarHBondContact OE2-CE 3.35Å; E1062-K1074 IonicContact OE2-NZ 3.31Å; E1062-K1074 PolarHBondContact OE2-NZ 3.17Å; E1062-K1074 VanDerWaalsContact OE2-NZ 3.15Å; E1062-E1075 CarbonylContact C-O 3.47Å; E1062-E1075 WeakPolarHBondContact CA-O 3.39Å; E1062-Q1076 HydrophobicContact CG-CG 4.17Å; E1062-L1104 WeakPolarHBondContact O-CA 3.21Å; E1062-R1105 HydrophobicContact CB-CB 4.38Å; E1062-R1105 VanDerWaalsContact CD-NH2 3.32Å; E1062-R1105 PolarHBondContact N-O 3.08Å; E1062-R1105 WeakPolarHBondContact O-CB 3.26Å; E1062-R1105 PolarHBondContact O-N 3.07Å; E1062-R1105 IonicContact OE1-NH2 3.06Å; E1062-R1105 IonicContact OE2-CZ 2.9Å; E1062-R1105 IonicContact OE2-NE 2.99Å; E1062-R1105 PolarHBondContact OE2-NE 3.11Å; E1062-R1105 IonicContact OE2-NH1 3.17Å; E1062-R1105 PolarHBondContact OE2-NH1 2.82Å; E1062-R1105 IonicContact OE2-NH2 2.93Å; E1062-R1105 PolarHBondContact OE2-NH2 3.13Å; E1062-I1107 HydrophobicContact CG-CD1 4.1Å; E1062-I1107 HydrophobicContact CG-CG1 4.16Å |
| 1063 | L | 93 | Very high | 86.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 121.3 | 173.5 | 179.4 | 65.3 | 0 | 0 | 0 | 109.5 | L1046 L1048 L1065 K1074 E1075 F1087 R1103 L1104 I1118 | L1046-L1063 HydrophobicContact CD2-CD2 3.69Å; L1046-L1063 VanDerWaalsContact CD2-CD2 3.44Å; L1048-L1063 HydrophobicContact CD1-CD1 4.23Å; L1048-L1063 HydrophobicContact CD1-CD2 4.31Å; L1063-L1065 HydrophobicContact CD1-CD2 4.41Å; L1063-L1065 HydrophobicContact CD2-CD2 4Å; L1063-L1065 HydrophobicContact CD2-CG 4.42Å; L1063-L1065 HydrophobicContact CG-CD2 4.12Å; L1063-L1065 HydrophobicContact CG-CG 4.39Å; L1063-K1074 WeakPolarHBondContact O-CA 3.38Å; L1063-E1075 PolarHBondContact N-O 2.99Å; L1063-E1075 PolarHBondContact O-N 3.13Å; L1063-F1087 HydrophobicContact CB-CD1 3.86Å; L1063-F1087 HydrophobicContact CB-CE1 3.33Å; L1063-F1087 HydrophobicContact CB-CE2 4.45Å; L1063-F1087 HydrophobicContact CB-CG 4.47Å; L1063-F1087 HydrophobicContact CB-CZ 3.75Å; L1063-F1087 HydrophobicContact CD2-CB 4.49Å; L1063-F1087 HydrophobicContact CD2-CD1 3.97Å; L1063-F1087 HydrophobicContact CD2-CD2 4.1Å; L1063-F1087 HydrophobicContact CD2-CE1 4.09Å; L1063-F1087 HydrophobicContact CD2-CE2 4.22Å; L1063-F1087 HydrophobicContact CD2-CG 3.98Å; L1063-F1087 HydrophobicContact CD2-CZ 4.22Å; L1063-F1087 HydrophobicContact CG-CE1 4.35Å; L1063-F1087 HydrophobicContact CG-CZ 4.37Å; L1063-R1103 WeakPolarHBondContact CA-O 3.27Å; L1063-L1104 HydrophobicContact CB-CD1 4.38Å; L1063-L1104 HydrophobicContact CD1-CB 4.47Å; L1063-I1118 HydrophobicContact CD1-CD1 4.21Å; L1063-I1118 HydrophobicContact CD2-CD1 4.03Å |
| 1064 | F | 90.8 | Very high | 86.8 | Confident | 24 Ų | 24 | 57.6 Ų | 57.6 | 11% | 0.105 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 113.9 | 173.5 | -65.5 | -100.8 | 0 | 0 | 0 | 108.3 | E1062 M1066 I1071 K1074 G1102 R1103 R1105 F1111 | E1062-F1064 HydrophobicContact CB-CD2 4.41Å; E1062-F1064 HydrophobicContact CB-CE2 3.75Å; E1062-F1064 HydrophobicContact CB-CZ 4.35Å; E1062-F1064 WeakPolarHBondContact OE2-CZ 3.34Å; F1064-M1066 HydrophobicContact CB-CG 4.35Å; F1064-M1066 HydrophobicContact CB-SD 4.3Å; F1064-I1071 HydrophobicContact CD1-CD1 3.87Å; F1064-I1071 HydrophobicContact CD1-CG1 4.32Å; F1064-I1071 HydrophobicContact CD1-CG2 4.35Å; F1064-I1071 HydrophobicContact CE1-CD1 4.29Å; F1064-K1074 HydrophobicContact CD1-CB 4.4Å; F1064-K1074 HydrophobicContact CD1-CD 4.26Å; F1064-K1074 HydrophobicContact CD1-CG 4.08Å; F1064-K1074 HydrophobicContact CE1-CB 4.46Å; F1064-K1074 HydrophobicContact CE1-CD 3.7Å; F1064-K1074 HydrophobicContact CE1-CG 3.87Å; F1064-K1074 HydrophobicContact CE2-CG 4.46Å; F1064-K1074 HydrophobicContact CG-CG 4.38Å; F1064-K1074 HydrophobicContact CZ-CD 3.92Å; F1064-K1074 HydrophobicContact CZ-CG 4.16Å; F1064-G1102 CarbonylContact O-C 3.48Å; F1064-G1102 VanDerWaalsContact O-CA 3.29Å; F1064-G1102 WeakPolarHBondContact O-CA 3.28Å; F1064-R1103 HydrophobicContact CB-CB 4.46Å; F1064-R1103 PolarHBondContact N-O 2.85Å; F1064-R1103 PolarHBondContact O-N 2.88Å; F1064-R1105 HydrophobicContact CD2-CB 4.31Å; F1064-R1105 HydrophobicContact CE2-CB 4.22Å; F1064-F1111 AromaticContact CD2-CE1 3.66Å; F1064-F1111 HydrophobicContact CD2-CE1 3.66Å; F1064-F1111 HydrophobicContact CD2-CZ 4.15Å; F1064-F1111 AromaticContact CE2-CE1 3.9Å; F1064-F1111 HydrophobicContact CE2-CE1 3.9Å; F1064-F1111 AromaticContact CE2-CZ 3.93Å; F1064-F1111 HydrophobicContact CE2-CZ 4.04Å; F1064-F1111 HydrophobicContact CG-CE1 4.25Å; F1064-F1111 HydrophobicContact CG-CZ 4.49Å; F1064-F1111 HydrophobicContact CZ-CZ 4.37Å |
| 1065 | L | 89.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 122.3 | 173.3 | -63.6 | 179.8 | 0 | 0 | 0 | 109.1 | L1063 V1072 L1073 F1088 L1100 I1101 I1118 L1120 | L1063-L1065 HydrophobicContact CD1-CD2 4.41Å; L1063-L1065 HydrophobicContact CD2-CD2 4Å; L1063-L1065 HydrophobicContact CD2-CG 4.42Å; L1063-L1065 HydrophobicContact CG-CD2 4.12Å; L1063-L1065 HydrophobicContact CG-CG 4.39Å; L1065-V1072 PolarHBondContact O-N 3.15Å; L1065-L1073 HydrophobicContact CB-CB 4.15Å; L1065-L1073 HydrophobicContact CD1-CB 4.21Å; L1065-L1073 HydrophobicContact CD1-CD1 4.31Å; L1065-L1073 PolarHBondContact N-O 3.2Å; L1065-L1073 PolarHBondContact O-N 2.98Å; L1065-L1073 VanDerWaalsContact O-N 3.16Å; L1065-F1088 HydrophobicContact CD1-CE2 4.09Å; L1065-F1088 HydrophobicContact CD1-CZ 3.64Å; L1065-L1100 HydrophobicContact CB-CB 4.42Å; L1065-L1100 HydrophobicContact CB-CD1 4.04Å; L1065-L1100 HydrophobicContact CD1-CD1 4.16Å; L1065-L1100 HydrophobicContact CD2-CB 4.41Å; L1065-I1101 CarbonylContact C-O 3.57Å; L1065-I1101 WeakPolarHBondContact CA-O 3.42Å; L1065-I1118 HydrophobicContact CD2-CB 4.44Å; L1065-I1118 HydrophobicContact CD2-CD1 3.38Å; L1065-I1118 VanDerWaalsContact CD2-CD1 3.43Å; L1065-I1118 HydrophobicContact CD2-CG1 4.45Å; L1065-I1118 HydrophobicContact CD2-CG2 4.37Å; L1065-L1120 HydrophobicContact CD1-CD1 4.44Å |
| 1066 | M | 86.2 | Confident | 87 | Confident | 22.2 Ų | 22.2 | 59 Ų | 59 | 11% | 0.109 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 148.6 | -169.7 | -56.8 | 175.5 | 68 | 0 | 0 | 111.3 | F1064 D1069 E1070 I1071 I1101 R1103 | F1064-M1066 HydrophobicContact CB-CG 4.35Å; F1064-M1066 HydrophobicContact CB-SD 4.3Å; M1066-D1069 VanDerWaalsContact CE-C 3.47Å; M1066-D1069 WeakPolarHBondContact CE-O 3.24Å; M1066-E1070 CarbonylContact C-O 3.48Å; M1066-E1070 WeakPolarHBondContact CA-O 3.37Å; M1066-E1070 WeakPolarHBondContact CB-O 3.34Å; M1066-I1071 HydrophobicContact CE-CG1 4.38Å; M1066-I1071 HydrophobicContact CG-CG1 4.25Å; M1066-I1101 WeakPolarHBondContact CB-O 3.32Å; M1066-I1101 PolarHBondContact N-O 2.9Å; M1066-I1101 PolarHBondContact O-N 2.98Å; M1066-R1103 HydrophobicContact SD-CG 4.19Å |
| 1067 | F | 83.3 | Confident | 87.1 | Confident | 32.6 Ų | 32.6 | 52.7 Ų | 52.7 | 14% | 0.143 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 126.6 | 171.3 | -173.4 | -98.4 | 0 | 0 | 0 | 108.3 | D1069 E1070 V1072 L1100 L1151 H1154 H1194 | F1067-D1069 VanDerWaalsContact C-N 3.27Å; F1067-D1069 PolarHBondContact O-N 3.23Å; F1067-E1070 PolarHBondContact N-O 3.12Å; F1067-E1070 PolarHBondContact O-N 3.07Å; F1067-V1072 HydrophobicContact CB-CG2 3.59Å; F1067-L1100 HydrophobicContact CB-CD2 3.95Å; F1067-L1100 HydrophobicContact CD2-CD2 4.15Å; F1067-L1100 HydrophobicContact CG-CD2 4.46Å; F1067-L1151 HydrophobicContact CD1-CD2 4.28Å; F1067-L1151 HydrophobicContact CD2-CD2 4.31Å; F1067-L1151 HydrophobicContact CE1-CD2 4.24Å; F1067-L1151 HydrophobicContact CE2-CD2 4.19Å; F1067-L1151 HydrophobicContact CG-CD2 4.31Å; F1067-L1151 HydrophobicContact CZ-CD2 4.23Å; F1067-H1154 HydrophobicContact CD1-CB 3.94Å; F1067-H1154 AromaticContact CD1-CD2 3.72Å; F1067-H1154 AromaticContact CD1-CE1 3.87Å; F1067-H1154 AromaticContact CD1-CG 3.53Å; F1067-H1154 VanDerWaalsContact CD1-CG 3.5Å; F1067-H1154 AromaticContact CD1-ND1 3.69Å; F1067-H1154 AromaticContact CD1-NE2 3.93Å; F1067-H1154 HydrophobicContact CE1-CB 3.91Å; F1067-H1154 AromaticContact CE1-CG 3.93Å; F1067-H1154 AromaticContact CE1-ND1 3.97Å; F1067-H1194 AromaticContact CD2-CD2 3.83Å; F1067-H1194 AromaticContact CD2-NE2 3.48Å; F1067-H1194 VanDerWaalsContact CD2-NE2 3.34Å; F1067-H1194 WeakPolarHBondContact CD2-NE2 3.28Å; F1067-H1194 HydrophobicContact CE2-CB 4.42Å; F1067-H1194 AromaticContact CE2-CD2 3.28Å; F1067-H1194 WeakPolarHBondContact CE2-CD2 3.27Å; F1067-H1194 AromaticContact CE2-ND1 3.7Å; F1067-H1194 AromaticContact CE2-NE2 3.46Å; F1067-H1194 VanDerWaalsContact CE2-NE2 3.33Å; F1067-H1194 WeakPolarHBondContact CE2-NE2 3.26Å; F1067-H1194 HydrophobicContact CZ-CB 4.38Å; F1067-H1194 AromaticContact CZ-CD2 3.9Å; F1067-H1194 AromaticContact CZ-ND1 3.78Å |
| 1068 | N | 79.9 | Confident | 87.2 | Confident | 123.4 Ų | 123.4 | 55.7 Ų | 55.7 | 66% | 0.66 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 46.6 | -173.5 | -67.4 | -10 | 0 | 0 | 0 | 113.8 | E1070 | N1068-E1070 PolarHBondContact O-N 3.07Å; N1068-E1070 VanDerWaalsContact O-N 3.11Å |
| 1069 | D | 76.2 | Confident | 87.4 | Confident | 131.8 Ų | 131.8 | 57.4 Ų | 57.4 | 71% | 0.705 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.7 | 3.9 | -177.2 | -60.7 | -47.3 | 0 | 0 | 0 | 116.6 | M1066 F1067 | M1066-D1069 VanDerWaalsContact CE-C 3.47Å; M1066-D1069 WeakPolarHBondContact CE-O 3.24Å; F1067-D1069 VanDerWaalsContact C-N 3.27Å; F1067-D1069 PolarHBondContact O-N 3.23Å |
| 1070 | E | 80.5 | Confident | 87.6 | Confident | 115 Ų | 115 | 51.9 Ų | 51.9 | 54% | 0.537 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 140.8 | 171.7 | -64.4 | -171.3 | 165.3 | 0 | 0 | 111.3 | M1066 F1067 N1068 V1072 H1154 | M1066-E1070 CarbonylContact C-O 3.48Å; M1066-E1070 WeakPolarHBondContact CA-O 3.37Å; M1066-E1070 WeakPolarHBondContact CB-O 3.34Å; F1067-E1070 PolarHBondContact N-O 3.12Å; F1067-E1070 PolarHBondContact O-N 3.07Å; N1068-E1070 PolarHBondContact O-N 3.07Å; N1068-E1070 VanDerWaalsContact O-N 3.11Å; E1070-V1072 PolarHBondContact O-N 3.1Å; E1070-H1154 IonicContact OE2-CE1 3.08Å; E1070-H1154 PolarHBondContact OE2-CE1 3.02Å; E1070-H1154 VanDerWaalsContact OE2-CE1 3.26Å; E1070-H1154 IonicContact OE2-NE2 2.96Å |
| 1071 | I | 82.9 | Confident | 87.8 | Confident | 102.2 Ų | 102.2 | 52.4 Ų | 52.4 | 52% | 0.524 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 114.6 | 178.7 | -60.2 | 164.8 | 0 | 0 | 0 | 108.9 | F1064 M1066 K1074 | F1064-I1071 HydrophobicContact CD1-CD1 3.87Å; F1064-I1071 HydrophobicContact CD1-CG1 4.32Å; F1064-I1071 HydrophobicContact CD1-CG2 4.35Å; F1064-I1071 HydrophobicContact CE1-CD1 4.29Å; M1066-I1071 HydrophobicContact CE-CG1 4.38Å; M1066-I1071 HydrophobicContact CG-CG1 4.25Å; I1071-K1074 HydrophobicContact CG2-CB 4.49Å |
| 1072 | V | 82.7 | Confident | 87.8 | Confident | 29.8 Ų | 29.8 | 56.6 Ų | 56.6 | 18% | 0.181 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -41.7 | 176.2 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | L1065 F1067 E1070 P1096 L1100 L1151 | L1065-V1072 PolarHBondContact O-N 3.15Å; F1067-V1072 HydrophobicContact CB-CG2 3.59Å; E1070-V1072 PolarHBondContact O-N 3.1Å; V1072-P1096 HydrophobicContact CG1-CG 4.21Å; V1072-L1100 HydrophobicContact CG2-CD2 4.36Å; V1072-L1151 HydrophobicContact CG1-CD1 3.91Å; V1072-L1151 HydrophobicContact CG2-CD1 4.4Å |
| 1073 | L | 85.8 | Confident | 87.7 | Confident | 45.6 Ų | 45.6 | 59 Ų | 59 | 24% | 0.239 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 148.6 | 179.4 | -78.3 | 169.5 | 0 | 0 | 0 | 110.7 | L1065 F1088 P1096 | L1065-L1073 HydrophobicContact CB-CB 4.15Å; L1065-L1073 HydrophobicContact CD1-CB 4.21Å; L1065-L1073 HydrophobicContact CD1-CD1 4.31Å; L1065-L1073 PolarHBondContact N-O 3.2Å; L1065-L1073 PolarHBondContact O-N 2.98Å; L1065-L1073 VanDerWaalsContact O-N 3.16Å; L1073-F1088 HydrophobicContact CD1-CE1 4.35Å; L1073-F1088 HydrophobicContact CD1-CZ 4.32Å; L1073-P1096 HydrophobicContact CD1-CG 3.85Å; L1073-P1096 HydrophobicContact CG-CG 4.38Å |
| 1074 | K | 88.4 | Confident | 87.8 | Confident | 102 Ų | 102 | 60.6 Ų | 60.6 | 44% | 0.443 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 125.7 | 170.4 | -179 | -169.2 | 174.8 | -173 | 0 | 108.3 | E1062 L1063 F1064 I1071 | E1062-K1074 VanDerWaalsContact CD-CE 3.43Å; E1062-K1074 VanDerWaalsContact OE1-CE 3.23Å; E1062-K1074 WeakPolarHBondContact OE1-CE 3.48Å; E1062-K1074 IonicContact OE1-NZ 3.08Å; E1062-K1074 PolarHBondContact OE1-NZ 3.16Å; E1062-K1074 VanDerWaalsContact OE2-CE 3.28Å; E1062-K1074 WeakPolarHBondContact OE2-CE 3.35Å; E1062-K1074 IonicContact OE2-NZ 3.31Å; E1062-K1074 PolarHBondContact OE2-NZ 3.17Å; E1062-K1074 VanDerWaalsContact OE2-NZ 3.15Å; L1063-K1074 WeakPolarHBondContact O-CA 3.38Å; F1064-K1074 HydrophobicContact CD1-CB 4.4Å; F1064-K1074 HydrophobicContact CD1-CD 4.26Å; F1064-K1074 HydrophobicContact CD1-CG 4.08Å; F1064-K1074 HydrophobicContact CE1-CB 4.46Å; F1064-K1074 HydrophobicContact CE1-CD 3.7Å; F1064-K1074 HydrophobicContact CE1-CG 3.87Å; F1064-K1074 HydrophobicContact CE2-CG 4.46Å; F1064-K1074 HydrophobicContact CG-CG 4.38Å; F1064-K1074 HydrophobicContact CZ-CD 3.92Å; F1064-K1074 HydrophobicContact CZ-CG 4.16Å; I1071-K1074 HydrophobicContact CG2-CB 4.49Å |
| 1075 | E | 88.9 | Confident | 87.9 | Confident | 57.4 Ų | 57.4 | 59.4 Ų | 59.4 | 27% | 0.268 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 149.8 | -176.2 | -91.1 | -56 | -177.1 | 0 | 0 | 112.9 | E1062 L1063 F1087 F1088 | E1062-E1075 CarbonylContact C-O 3.47Å; E1062-E1075 WeakPolarHBondContact CA-O 3.39Å; L1063-E1075 PolarHBondContact N-O 2.99Å; L1063-E1075 PolarHBondContact O-N 3.13Å; E1075-F1087 HydrophobicContact CB-CD1 4.25Å; E1075-F1088 HydrophobicContact CB-CE1 4.31Å; E1075-F1088 HydrophobicContact CB-CZ 4.11Å; E1075-F1088 HydrophobicContact CG-CD1 4.17Å; E1075-F1088 HydrophobicContact CG-CE1 3.57Å; E1075-F1088 VanDerWaalsContact CG-CE1 3.45Å; E1075-F1088 HydrophobicContact CG-CZ 4.09Å; E1075-F1088 WeakPolarHBondContact OE1-CE1 3.27Å |
| 1076 | Q | 91.1 | Very high | 88.1 | Confident | 78.6 Ų | 78.6 | 62 Ų | 62 | 37% | 0.367 | 32% | 0.315 | S | S | . | . | trans | -102.1 | 147.3 | 168.1 | -67.2 | -170 | -44.4 | 0 | 0 | 109.4 | Y1061 E1062 F1078 | Y1061-Q1076 WeakPolarHBondContact O-CG 3.4Å; Y1061-Q1076 PolarHBondContact O-NE2 2.84Å; E1062-Q1076 HydrophobicContact CG-CG 4.17Å; Q1076-F1078 PolarHBondContact O-N 3.44Å | ||
| 1077 | P | 92 | Very high | 88.4 | Confident | 3.4 Ų | 3.4 | 60.9 Ų | 60.9 | 2% | 0.022 | 31% | 0.31 | C | S | . | . | trans | -67.7 | 141.8 | 173.8 | 28.7 | -29.8 | 0 | 0 | 0 | 109.2 | P1058 Y1061 L1079 T1080 L1085 Y1086 F1087 | P1058-P1077 HydrophobicContact CB-CG 4.39Å; P1058-P1077 WeakPolarHBondContact CB-O 3.35Å; P1058-P1077 WeakPolarHBondContact O-CD 3.37Å; Y1061-P1077 HydrophobicContact CD2-CG 4.46Å; Y1061-P1077 HydrophobicContact CG-CG 4.47Å; Y1061-P1077 VanDerWaalsContact O-CD 3.24Å; Y1061-P1077 WeakPolarHBondContact O-CD 3.28Å; P1077-L1079 VanDerWaalsContact C-N 3.3Å; P1077-T1080 HydrophobicContact CB-CG2 3.91Å; P1077-T1080 HydrophobicContact CG-CG2 3.56Å; P1077-T1080 VanDerWaalsContact CG-CG2 3.49Å; P1077-L1085 HydrophobicContact CB-CB 4.37Å; P1077-Y1086 CarbonylContact C-O 3.53Å; P1077-Y1086 VanDerWaalsContact C-O 3.3Å; P1077-Y1086 WeakPolarHBondContact CA-O 3.23Å; P1077-Y1086 VanDerWaalsContact CB-O 3.27Å; P1077-Y1086 WeakPolarHBondContact CB-O 3.36Å; P1077-F1087 HydrophobicContact CB-CD1 4.04Å; P1077-F1087 HydrophobicContact CB-CD2 4.4Å; P1077-F1087 HydrophobicContact CB-CE1 3.8Å; P1077-F1087 HydrophobicContact CB-CE2 4.17Å; P1077-F1087 HydrophobicContact CB-CG 4.33Å; P1077-F1087 HydrophobicContact CB-CZ 3.86Å; P1077-F1087 VanDerWaalsContact CD-CE1 3.43Å; P1077-F1087 HydrophobicContact CG-CE1 3.99Å; P1077-F1087 HydrophobicContact CG-CZ 4.03Å; P1077-F1087 VanDerWaalsContact N-CE1 3.32Å | ||
| 1078 | F | 91.9 | Very high | 88.5 | Confident | 99.6 Ų | 99.6 | 59.7 Ų | 59.7 | 44% | 0.437 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -85.8 | -17.4 | 174.2 | 68.1 | -90.2 | 0 | 0 | 0 | 112.1 | T1045 Q1076 Y1086 F1088 N1089 | T1045-F1078 HydrophobicContact CG2-CE1 4.11Å; T1045-F1078 HydrophobicContact CG2-CZ 4.13Å; Q1076-F1078 PolarHBondContact O-N 3.44Å; F1078-Y1086 WeakPolarHBondContact CD1-O 3.35Å; F1078-Y1086 WeakPolarHBondContact CE1-O 3.39Å; F1078-Y1086 HydrophobicContact CZ-CG 4.43Å; F1078-Y1086 PolarHBondContact N-O 3.04Å; F1078-F1088 VanDerWaalsContact CE1-O 3.23Å; F1078-F1088 WeakPolarHBondContact CE1-O 3.32Å; F1078-N1089 HydrophobicContact CD1-CB 4.24Å; F1078-N1089 HydrophobicContact CE1-CB 4.06Å; F1078-N1089 HydrophobicContact CE2-CB 4.47Å; F1078-N1089 HydrophobicContact CG-CB 4.41Å; F1078-N1089 HydrophobicContact CZ-CB 4.26Å |
| 1079 | L | 91.8 | Very high | 88.7 | Confident | 73.4 Ų | 73.4 | 58.6 Ų | 58.6 | 38% | 0.384 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 136.4 | 176.9 | 178.4 | 67.3 | 0 | 0 | 0 | 109.8 | P1077 Y1086 | P1077-L1079 VanDerWaalsContact C-N 3.3Å; L1079-Y1086 HydrophobicContact CB-CD2 3.98Å; L1079-Y1086 HydrophobicContact CB-CG 4.3Å; L1079-Y1086 HydrophobicContact CD2-CD2 3.84Å; L1079-Y1086 HydrophobicContact CD2-CE2 3.99Å; L1079-Y1086 HydrophobicContact CD2-CG 4.36Å; L1079-Y1086 HydrophobicContact CG-CD2 3.91Å; L1079-Y1086 HydrophobicContact CG-CE2 4.34Å; L1079-Y1086 WeakPolarHBondContact O-CD2 3.3Å; L1079-Y1086 PolarHBondContact O-N 3.03Å |
| 1080 | T | 93 | Very high | 89.2 | Confident | 0.2 Ų | 0.2 | 55.6 Ų | 55.6 | 0% | 0.001 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 135.9 | 174.4 | 70.1 | 0 | 0 | 0 | 0 | 110.8 | I1054 A1055 N1056 S1057 P1058 Y1061 P1077 N1084 L1085 | I1054-T1080 WeakPolarHBondContact O-CB 3.43Å; I1054-T1080 PolarHBondContact O-OG1 3.1Å; I1054-T1080 VanDerWaalsContact O-OG1 3.05Å; A1055-T1080 WeakPolarHBondContact CA-O 3.07Å; N1056-T1080 PolarHBondContact N-O 3.17Å; N1056-T1080 PolarHBondContact N-OG1 3.18Å; N1056-T1080 VanDerWaalsContact N-OG1 3.09Å; S1057-T1080 PolarHBondContact N-OG1 3.19Å; P1058-T1080 HydrophobicContact CB-CG2 4.34Å; Y1061-T1080 HydrophobicContact CD2-CG2 4.11Å; Y1061-T1080 HydrophobicContact CE2-CG2 4.44Å; P1077-T1080 HydrophobicContact CB-CG2 3.91Å; P1077-T1080 HydrophobicContact CG-CG2 3.56Å; P1077-T1080 VanDerWaalsContact CG-CG2 3.49Å; T1080-N1084 WeakPolarHBondContact CA-O 3.2Å; T1080-L1085 HydrophobicContact CG2-CD2 3.44Å; T1080-L1085 VanDerWaalsContact CG2-CD2 3.44Å |
| 1081 | T | 92.5 | Very high | 89.4 | Confident | 41.2 Ų | 41.2 | 53.2 Ų | 53.2 | 25% | 0.253 | 27% | 0.271 | S | S | . | . | trans | -119.1 | 179.2 | 171.1 | 69.1 | 0 | 0 | 0 | 0 | 108.7 | F1053 T1083 N1084 Y1086 | F1053-T1081 VanDerWaalsContact CB-O 3.28Å; F1053-T1081 WeakPolarHBondContact CB-O 3.37Å; T1081-T1083 PolarHBondContact O-N 3.01Å; T1081-T1083 PolarHBondContact OG1-N 3.01Å; T1081-T1083 PolarHBondContact OG1-OG1 3.2Å; T1081-N1084 PolarHBondContact N-O 2.97Å; T1081-N1084 WeakPolarHBondContact OG1-CA 3.35Å; T1081-N1084 WeakPolarHBondContact OG1-CB 3.27Å; T1081-N1084 PolarHBondContact OG1-N 3.15Å; T1081-N1084 PolarHBondContact OG1-ND2 3.41Å; T1081-N1084 PolarHBondContact OG1-O 3.16Å; T1081-Y1086 HydrophobicContact CG2-CE2 4.25Å | ||
| 1082 | T | 89.9 | Confident | 89.6 | Confident | 88.6 Ų | 88.6 | 48.4 Ų | 48.4 | 54% | 0.544 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -67.5 | -13.4 | 175.6 | 50.4 | 0 | 0 | 0 | 0 | 114 | F1053 A1055 | F1053-T1082 PolarHBondContact N-O 3.32Å; F1053-T1082 WeakPolarHBondContact O-CA 3.33Å; A1055-T1082 HydrophobicContact CB-CG2 3.97Å |
| 1083 | T | 92 | Very high | 89.7 | Confident | 67 Ų | 67 | 48.6 Ų | 48.6 | 41% | 0.411 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -128.3 | -17.4 | -175.4 | 56.1 | 0 | 0 | 0 | 0 | 114.3 | N1049 G1050 F1053 T1081 | N1049-T1083 CarbonylContact C-O 3.5Å; N1049-T1083 VanDerWaalsContact CA-O 3.28Å; N1049-T1083 WeakPolarHBondContact CA-O 3.31Å; G1050-T1083 PolarHBondContact N-O 3.1Å; G1050-T1083 VanDerWaalsContact O-CA 3.3Å; G1050-T1083 WeakPolarHBondContact O-CA 3.38Å; G1050-T1083 VanDerWaalsContact O-O 3.07Å; F1053-T1083 VanDerWaalsContact CD2-C 3.46Å; F1053-T1083 WeakPolarHBondContact CE2-O 3.39Å; T1081-T1083 PolarHBondContact O-N 3.01Å; T1081-T1083 PolarHBondContact OG1-N 3.01Å; T1081-T1083 PolarHBondContact OG1-OG1 3.2Å |
| 1084 | N | 93.6 | Very high | 89.7 | Confident | 33 Ų | 33 | 49.2 Ų | 49.2 | 18% | 0.176 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 139.9 | -174.2 | -51.1 | -24.5 | 0 | 0 | 0 | 111.6 | I1047 L1048 N1049 T1080 T1081 Y1086 | I1047-N1084 HydrophobicContact CG2-CB 4.03Å; L1048-N1084 CarbonylContact O-C 3.44Å; L1048-N1084 VanDerWaalsContact O-CA 3.3Å; L1048-N1084 WeakPolarHBondContact O-CA 3.31Å; N1049-N1084 VanDerWaalsContact OD1-CG 3.23Å; N1049-N1084 PolarHBondContact OD1-ND2 3.26Å; N1049-N1084 PolarHBondContact OD1-OD1 2.91Å; N1049-N1084 VanDerWaalsContact OD1-OD1 3.06Å; T1080-N1084 WeakPolarHBondContact CA-O 3.2Å; T1081-N1084 PolarHBondContact N-O 2.97Å; T1081-N1084 WeakPolarHBondContact OG1-CA 3.35Å; T1081-N1084 WeakPolarHBondContact OG1-CB 3.27Å; T1081-N1084 PolarHBondContact OG1-N 3.15Å; T1081-N1084 PolarHBondContact OG1-ND2 3.41Å; T1081-N1084 PolarHBondContact OG1-O 3.16Å; N1084-Y1086 HydrophobicContact CB-CD2 4.27Å; N1084-Y1086 HydrophobicContact CB-CE2 3.54Å; N1084-Y1086 VanDerWaalsContact CB-CE2 3.47Å; N1084-Y1086 PolarHBondContact ND2-OH 3.29Å |
| 1085 | L | 93.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 124.9 | 167.7 | -55.5 | 175.3 | 0 | 0 | 0 | 108.8 | I1047 L1048 F1053 Y1061 P1077 T1080 F1087 L1104 | I1047-L1085 CarbonylContact C-O 3.52Å; I1047-L1085 WeakPolarHBondContact CA-O 3.26Å; L1048-L1085 HydrophobicContact CB-CB 4.32Å; L1048-L1085 PolarHBondContact N-O 2.97Å; L1048-L1085 PolarHBondContact O-N 2.93Å; F1053-L1085 HydrophobicContact CB-CD2 4.1Å; F1053-L1085 HydrophobicContact CB-CG 4.5Å; F1053-L1085 HydrophobicContact CD1-CD1 4.09Å; F1053-L1085 HydrophobicContact CD1-CD2 4.37Å; F1053-L1085 HydrophobicContact CD1-CG 4.17Å; F1053-L1085 HydrophobicContact CD2-CD1 4.35Å; F1053-L1085 HydrophobicContact CD2-CD2 4.04Å; F1053-L1085 HydrophobicContact CD2-CG 3.7Å; F1053-L1085 HydrophobicContact CE1-CD1 3.94Å; F1053-L1085 HydrophobicContact CE1-CG 4.27Å; F1053-L1085 HydrophobicContact CE2-CD1 4.2Å; F1053-L1085 HydrophobicContact CE2-CD2 4.44Å; F1053-L1085 HydrophobicContact CE2-CG 3.79Å; F1053-L1085 HydrophobicContact CG-CD1 4.31Å; F1053-L1085 HydrophobicContact CG-CD2 3.95Å; F1053-L1085 HydrophobicContact CG-CG 3.95Å; F1053-L1085 HydrophobicContact CZ-CD1 4Å; F1053-L1085 HydrophobicContact CZ-CG 4.12Å; Y1061-L1085 HydrophobicContact CD1-CD1 3.87Å; Y1061-L1085 HydrophobicContact CD1-CD2 4.46Å; Y1061-L1085 HydrophobicContact CD2-CD1 4.44Å; Y1061-L1085 HydrophobicContact CD2-CD2 3.92Å; Y1061-L1085 HydrophobicContact CE1-CD1 4.08Å; Y1061-L1085 HydrophobicContact CE1-CD2 4.43Å; Y1061-L1085 HydrophobicContact CE2-CD2 3.89Å; Y1061-L1085 HydrophobicContact CG-CD1 4.17Å; Y1061-L1085 HydrophobicContact CG-CD2 4.26Å; P1077-L1085 HydrophobicContact CB-CB 4.37Å; T1080-L1085 HydrophobicContact CG2-CD2 3.44Å; T1080-L1085 VanDerWaalsContact CG2-CD2 3.44Å; L1085-F1087 HydrophobicContact CB-CD2 4.31Å; L1085-F1087 HydrophobicContact CB-CE2 3.5Å; L1085-F1087 VanDerWaalsContact CB-CE2 3.46Å; L1085-F1087 HydrophobicContact CB-CZ 4.12Å; L1085-F1087 HydrophobicContact CD1-CE2 4.29Å; L1085-F1087 HydrophobicContact CD1-CZ 4.32Å; L1085-F1087 HydrophobicContact CG-CE2 4.49Å; L1085-L1104 HydrophobicContact CD1-CD1 4.01Å; L1085-L1104 HydrophobicContact CD1-CD2 3.58Å; L1085-L1104 VanDerWaalsContact CD1-CD2 3.46Å; L1085-L1104 HydrophobicContact CD1-CG 4.43Å |
| 1086 | Y | 93.9 | Very high | 89.6 | Confident | 54.4 Ų | 54.4 | 41.7 Ų | 41.7 | 21% | 0.213 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 116.2 | -177.5 | -60.4 | -101.7 | 0 | 0 | 0 | 110.1 | T1045 L1046 I1047 P1077 F1078 L1079 T1081 N1084 | T1045-Y1086 HydrophobicContact CG2-CD1 4.21Å; L1046-Y1086 CarbonylContact O-C 3.53Å; L1046-Y1086 WeakPolarHBondContact O-CA 3.38Å; I1047-Y1086 HydrophobicContact CB-CD1 4.42Å; I1047-Y1086 HydrophobicContact CB-CE1 4.48Å; I1047-Y1086 HydrophobicContact CD1-CD1 4.04Å; I1047-Y1086 HydrophobicContact CD1-CE1 3.7Å; I1047-Y1086 HydrophobicContact CG1-CD1 3.71Å; I1047-Y1086 HydrophobicContact CG1-CE1 3.85Å; I1047-Y1086 HydrophobicContact CG2-CD1 4.09Å; I1047-Y1086 HydrophobicContact CG2-CE1 3.86Å; I1047-Y1086 HydrophobicContact CG2-CG 4.5Å; P1077-Y1086 CarbonylContact C-O 3.53Å; P1077-Y1086 VanDerWaalsContact C-O 3.3Å; P1077-Y1086 WeakPolarHBondContact CA-O 3.23Å; P1077-Y1086 VanDerWaalsContact CB-O 3.27Å; P1077-Y1086 WeakPolarHBondContact CB-O 3.36Å; F1078-Y1086 WeakPolarHBondContact CD1-O 3.35Å; F1078-Y1086 WeakPolarHBondContact CE1-O 3.39Å; F1078-Y1086 HydrophobicContact CZ-CG 4.43Å; F1078-Y1086 PolarHBondContact N-O 3.04Å; L1079-Y1086 HydrophobicContact CB-CD2 3.98Å; L1079-Y1086 HydrophobicContact CB-CG 4.3Å; L1079-Y1086 HydrophobicContact CD2-CD2 3.84Å; L1079-Y1086 HydrophobicContact CD2-CE2 3.99Å; L1079-Y1086 HydrophobicContact CD2-CG 4.36Å; L1079-Y1086 HydrophobicContact CG-CD2 3.91Å; L1079-Y1086 HydrophobicContact CG-CE2 4.34Å; L1079-Y1086 WeakPolarHBondContact O-CD2 3.3Å; L1079-Y1086 PolarHBondContact O-N 3.03Å; T1081-Y1086 HydrophobicContact CG2-CE2 4.25Å; N1084-Y1086 HydrophobicContact CB-CD2 4.27Å; N1084-Y1086 HydrophobicContact CB-CE2 3.54Å; N1084-Y1086 VanDerWaalsContact CB-CE2 3.47Å; N1084-Y1086 PolarHBondContact ND2-OH 3.29Å |
| 1087 | F | 92 | Very high | 89.3 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 151.9 | 176.5 | -59.6 | -95 | 0 | 0 | 0 | 109.5 | T1045 L1046 L1048 L1063 E1075 P1077 L1085 L1104 | T1045-F1087 WeakPolarHBondContact CA-O 3.39Å; L1046-F1087 HydrophobicContact CB-CB 4.18Å; L1046-F1087 HydrophobicContact CD2-CB 4.23Å; L1046-F1087 HydrophobicContact CD2-CD2 4.44Å; L1046-F1087 HydrophobicContact CG-CB 4.46Å; L1046-F1087 PolarHBondContact N-O 3.02Å; L1046-F1087 PolarHBondContact O-N 3.17Å; L1046-F1087 VanDerWaalsContact O-O 3.12Å; L1048-F1087 HydrophobicContact CB-CE2 4.41Å; L1048-F1087 HydrophobicContact CD1-CD2 4.27Å; L1048-F1087 HydrophobicContact CD1-CE2 3.6Å; L1048-F1087 HydrophobicContact CD1-CZ 4.28Å; L1048-F1087 HydrophobicContact CG-CD2 4.13Å; L1048-F1087 HydrophobicContact CG-CE2 3.83Å; L1063-F1087 HydrophobicContact CB-CD1 3.86Å; L1063-F1087 HydrophobicContact CB-CE1 3.33Å; L1063-F1087 HydrophobicContact CB-CE2 4.45Å; L1063-F1087 HydrophobicContact CB-CG 4.47Å; L1063-F1087 HydrophobicContact CB-CZ 3.75Å; L1063-F1087 HydrophobicContact CD2-CB 4.49Å; L1063-F1087 HydrophobicContact CD2-CD1 3.97Å; L1063-F1087 HydrophobicContact CD2-CD2 4.1Å; L1063-F1087 HydrophobicContact CD2-CE1 4.09Å; L1063-F1087 HydrophobicContact CD2-CE2 4.22Å; L1063-F1087 HydrophobicContact CD2-CG 3.98Å; L1063-F1087 HydrophobicContact CD2-CZ 4.22Å; L1063-F1087 HydrophobicContact CG-CE1 4.35Å; L1063-F1087 HydrophobicContact CG-CZ 4.37Å; E1075-F1087 HydrophobicContact CB-CD1 4.25Å; P1077-F1087 HydrophobicContact CB-CD1 4.04Å; P1077-F1087 HydrophobicContact CB-CD2 4.4Å; P1077-F1087 HydrophobicContact CB-CE1 3.8Å; P1077-F1087 HydrophobicContact CB-CE2 4.17Å; P1077-F1087 HydrophobicContact CB-CG 4.33Å; P1077-F1087 HydrophobicContact CB-CZ 3.86Å; P1077-F1087 VanDerWaalsContact CD-CE1 3.43Å; P1077-F1087 HydrophobicContact CG-CE1 3.99Å; P1077-F1087 HydrophobicContact CG-CZ 4.03Å; P1077-F1087 VanDerWaalsContact N-CE1 3.32Å; L1085-F1087 HydrophobicContact CB-CD2 4.31Å; L1085-F1087 HydrophobicContact CB-CE2 3.5Å; L1085-F1087 VanDerWaalsContact CB-CE2 3.46Å; L1085-F1087 HydrophobicContact CB-CZ 4.12Å; L1085-F1087 HydrophobicContact CD1-CE2 4.29Å; L1085-F1087 HydrophobicContact CD1-CZ 4.32Å; L1085-F1087 HydrophobicContact CG-CE2 4.49Å; F1087-L1104 HydrophobicContact CZ-CD1 3.96Å |
| 1088 | F | 86 | Confident | 89 | Confident | 6.6 Ų | 6.6 | 38.1 Ų | 38.1 | 3% | 0.029 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.7 | 126 | -176.8 | -47.9 | -67.3 | 0 | 0 | 0 | 114.6 | L1044 T1045 L1046 L1065 L1073 E1075 F1078 Q1090 I1095 L1120 | L1044-F1088 HydrophobicContact CD2-CB 4.31Å; L1044-F1088 HydrophobicContact CD2-CD2 4.09Å; L1044-F1088 HydrophobicContact CD2-CG 4.35Å; L1044-F1088 CarbonylContact O-C 3.54Å; L1044-F1088 VanDerWaalsContact O-CB 3.3Å; L1044-F1088 WeakPolarHBondContact O-CB 3.25Å; L1044-F1088 VanDerWaalsContact O-O 3.09Å; T1045-F1088 VanDerWaalsContact CA-O 3.3Å; T1045-F1088 WeakPolarHBondContact CA-O 3.36Å; T1045-F1088 WeakPolarHBondContact CB-O 3.37Å; T1045-F1088 PolarHBondContact OG1-O 3.1Å; T1045-F1088 VanDerWaalsContact OG1-O 3.05Å; L1046-F1088 HydrophobicContact CB-CD2 3.68Å; L1046-F1088 HydrophobicContact CB-CE2 4.12Å; L1046-F1088 HydrophobicContact CD2-CD2 4.35Å; L1046-F1088 HydrophobicContact CD2-CE2 3.96Å; L1065-F1088 HydrophobicContact CD1-CE2 4.09Å; L1065-F1088 HydrophobicContact CD1-CZ 3.64Å; L1073-F1088 HydrophobicContact CD1-CE1 4.35Å; L1073-F1088 HydrophobicContact CD1-CZ 4.32Å; E1075-F1088 HydrophobicContact CB-CE1 4.31Å; E1075-F1088 HydrophobicContact CB-CZ 4.11Å; E1075-F1088 HydrophobicContact CG-CD1 4.17Å; E1075-F1088 HydrophobicContact CG-CE1 3.57Å; E1075-F1088 VanDerWaalsContact CG-CE1 3.45Å; E1075-F1088 HydrophobicContact CG-CZ 4.09Å; E1075-F1088 WeakPolarHBondContact OE1-CE1 3.27Å; F1078-F1088 VanDerWaalsContact CE1-O 3.23Å; F1078-F1088 WeakPolarHBondContact CE1-O 3.32Å; F1088-Q1090 HydrophobicContact CB-CG 4.47Å; F1088-Q1090 HydrophobicContact CD1-CG 4.49Å; F1088-I1095 HydrophobicContact CB-CD1 4.06Å; F1088-I1095 HydrophobicContact CD1-CD1 4.06Å; F1088-I1095 HydrophobicContact CD1-CG1 4.32Å; F1088-I1095 HydrophobicContact CD2-CD1 4.39Å; F1088-I1095 HydrophobicContact CE1-CD1 4.34Å; F1088-I1095 HydrophobicContact CE1-CG2 4.48Å; F1088-I1095 HydrophobicContact CG-CD1 4.04Å; F1088-L1120 HydrophobicContact CE2-CD2 4.34Å |
| 1089 | N | 85 | Confident | 88.7 | Confident | 101 Ų | 101 | 36.9 Ų | 36.9 | 54% | 0.54 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 57.7 | 160.8 | -177.2 | 16.2 | 0 | 0 | 0 | 108 | N1043 F1078 | N1043-N1089 PolarHBondContact ND2-O 3.18Å; N1043-N1089 PolarHBondContact ND2-OD1 2.93Å; F1078-N1089 HydrophobicContact CD1-CB 4.24Å; F1078-N1089 HydrophobicContact CE1-CB 4.06Å; F1078-N1089 HydrophobicContact CE2-CB 4.47Å; F1078-N1089 HydrophobicContact CG-CB 4.41Å; F1078-N1089 HydrophobicContact CZ-CB 4.26Å |
| 1090 | Q | 85.4 | Confident | 88.6 | Confident | 69.6 Ų | 69.6 | 33.5 Ų | 33.5 | 33% | 0.325 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 163 | -172.3 | 53.3 | -175.8 | -2 | 0 | 0 | 110.7 | N1043 L1044 F1088 V1092 V1094 I1095 | N1043-Q1090 CarbonylContact C-O 3.45Å; N1043-Q1090 VanDerWaalsContact CA-O 3.26Å; N1043-Q1090 WeakPolarHBondContact CA-O 3.35Å; L1044-Q1090 PolarHBondContact N-O 2.99Å; F1088-Q1090 HydrophobicContact CB-CG 4.47Å; F1088-Q1090 HydrophobicContact CD1-CG 4.49Å; Q1090-V1092 PolarHBondContact O-N 2.94Å; Q1090-V1094 HydrophobicContact CB-CG2 4.37Å; Q1090-V1094 HydrophobicContact CG-CG2 4.15Å; Q1090-I1095 HydrophobicContact CB-CD1 4.29Å; Q1090-I1095 HydrophobicContact CG-CD1 3.63Å; Q1090-I1095 HydrophobicContact CG-CG1 3.89Å; Q1090-I1095 VanDerWaalsContact NE2-CG1 3.3Å |
| 1091 | N | 85.9 | Confident | 88.4 | Confident | 64 Ų | 64 | 36.7 Ų | 36.7 | 34% | 0.342 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 130 | -179.2 | -169.7 | -54.7 | 0 | 0 | 0 | 110.2 | N1042 N1043 N1093 V1094 | N1042-N1091 PolarHBondContact ND2-ND2 3.45Å; N1042-N1091 PolarHBondContact ND2-OD1 2.93Å; N1042-N1091 VanDerWaalsContact ND2-OD1 3.11Å; N1042-N1091 CarbonylContact O-C 3.51Å; N1042-N1091 WeakPolarHBondContact O-CA 3.43Å; N1042-N1091 PolarHBondContact O-OD1 2.66Å; N1043-N1091 WeakPolarHBondContact OD1-CA 3.32Å; N1043-N1091 PolarHBondContact OD1-N 3.18Å; N1091-N1093 PolarHBondContact O-N 2.97Å; N1091-N1093 VanDerWaalsContact O-N 3.08Å; N1091-N1093 VanDerWaalsContact OD1-CB 3.26Å; N1091-N1093 WeakPolarHBondContact OD1-CB 3.43Å; N1091-N1093 VanDerWaalsContact OD1-CG 3.26Å; N1091-N1093 PolarHBondContact OD1-N 3.06Å; N1091-N1093 PolarHBondContact OD1-ND2 3.22Å; N1091-N1093 PolarHBondContact OD1-OD1 2.94Å; N1091-V1094 WeakPolarHBondContact O-CG2 3.14Å; N1091-V1094 PolarHBondContact O-N 2.89Å; N1091-V1094 VanDerWaalsContact O-N 3.12Å |
| 1092 | V | 87.1 | Confident | 88.3 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -55.6 | -29 | -177.9 | 68.9 | 0 | 0 | 0 | 0 | 112.5 | I1039 N1042 L1044 Q1090 V1094 I1095 R1149 | I1039-V1092 HydrophobicContact CD1-CG2 4.07Å; N1042-V1092 WeakPolarHBondContact ND2-CG1 3.13Å; N1042-V1092 WeakPolarHBondContact O-CB 3.34Å; N1042-V1092 WeakPolarHBondContact O-CG1 3.13Å; N1042-V1092 PolarHBondContact O-N 2.86Å; N1042-V1092 WeakPolarHBondContact OD1-CG1 3.11Å; L1044-V1092 HydrophobicContact CB-CB 4.19Å; L1044-V1092 HydrophobicContact CB-CG2 4.11Å; L1044-V1092 HydrophobicContact CD1-CG2 3.91Å; Q1090-V1092 PolarHBondContact O-N 2.94Å; V1092-V1094 VanDerWaalsContact C-N 3.27Å; V1092-V1094 PolarHBondContact O-N 2.86Å; V1092-I1095 PolarHBondContact O-N 3.09Å; V1092-I1095 VanDerWaalsContact O-N 3.12Å; V1092-R1149 VanDerWaalsContact CG2-CZ 3.49Å; V1092-R1149 VanDerWaalsContact CG2-NH1 3.27Å; V1092-R1149 WeakPolarHBondContact O-CD 3.22Å; V1092-R1149 WeakPolarHBondContact O-CG 3.37Å; V1092-R1149 PolarHBondContact O-NE 3.28Å |
| 1093 | N | 85 | Confident | 88.3 | Confident | 33.6 Ų | 33.6 | 34.8 Ų | 34.8 | 18% | 0.18 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -65.6 | -24.6 | -177.2 | -65.2 | -14.2 | 0 | 0 | 0 | 114.2 | N1042 N1091 I1095 S1148 R1149 I1172 | N1042-N1093 PolarHBondContact ND2-OD1 3.26Å; N1091-N1093 PolarHBondContact O-N 2.97Å; N1091-N1093 VanDerWaalsContact O-N 3.08Å; N1091-N1093 VanDerWaalsContact OD1-CB 3.26Å; N1091-N1093 WeakPolarHBondContact OD1-CB 3.43Å; N1091-N1093 VanDerWaalsContact OD1-CG 3.26Å; N1091-N1093 PolarHBondContact OD1-N 3.06Å; N1091-N1093 PolarHBondContact OD1-ND2 3.22Å; N1091-N1093 PolarHBondContact OD1-OD1 2.94Å; N1093-I1095 VanDerWaalsContact C-N 3.34Å; N1093-S1148 VanDerWaalsContact OD1-CB 3.28Å; N1093-S1148 WeakPolarHBondContact OD1-CB 3.38Å; N1093-R1149 PolarHBondContact O-N 3.22Å; N1093-I1172 WeakPolarHBondContact O-CG2 3.25Å |
| 1094 | V | 85.6 | Confident | 88.2 | Confident | 58.2 Ų | 58.2 | 31.7 Ų | 31.7 | 35% | 0.353 | 16% | 0.159 | S | C | . | . | G | 310 helix | trans | -93.1 | -2 | 178.9 | -61.8 | 0 | 0 | 0 | 0 | 113 | Q1090 N1091 V1092 T1171 I1172 | Q1090-V1094 HydrophobicContact CB-CG2 4.37Å; Q1090-V1094 HydrophobicContact CG-CG2 4.15Å; N1091-V1094 WeakPolarHBondContact O-CG2 3.14Å; N1091-V1094 PolarHBondContact O-N 2.89Å; N1091-V1094 VanDerWaalsContact O-N 3.12Å; V1092-V1094 VanDerWaalsContact C-N 3.27Å; V1092-V1094 PolarHBondContact O-N 2.86Å; V1094-T1171 VanDerWaalsContact O-CB 3.3Å; V1094-T1171 WeakPolarHBondContact O-CB 3.29Å; V1094-T1171 WeakPolarHBondContact O-CG2 3.3Å; V1094-T1171 PolarHBondContact O-OG1 3.08Å; V1094-T1171 VanDerWaalsContact O-OG1 3.08Å; V1094-I1172 HydrophobicContact CG1-CG2 4.17Å |
| 1095 | I | 86.9 | Confident | 88 | Confident | 0.6 Ų | 0.6 | 32.4 Ų | 32.4 | 0% | 0.003 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -101.9 | 128.5 | 179.5 | -60.8 | 170.6 | 0 | 0 | 0 | 109.1 | L1044 F1088 Q1090 V1092 N1093 L1120 R1149 | L1044-I1095 HydrophobicContact CB-CD1 3.84Å; L1044-I1095 HydrophobicContact CD1-CD1 4.41Å; L1044-I1095 HydrophobicContact CD2-CD1 3.97Å; L1044-I1095 HydrophobicContact CG-CD1 4.34Å; F1088-I1095 HydrophobicContact CB-CD1 4.06Å; F1088-I1095 HydrophobicContact CD1-CD1 4.06Å; F1088-I1095 HydrophobicContact CD1-CG1 4.32Å; F1088-I1095 HydrophobicContact CD2-CD1 4.39Å; F1088-I1095 HydrophobicContact CE1-CD1 4.34Å; F1088-I1095 HydrophobicContact CE1-CG2 4.48Å; F1088-I1095 HydrophobicContact CG-CD1 4.04Å; Q1090-I1095 HydrophobicContact CB-CD1 4.29Å; Q1090-I1095 HydrophobicContact CG-CD1 3.63Å; Q1090-I1095 HydrophobicContact CG-CG1 3.89Å; Q1090-I1095 VanDerWaalsContact NE2-CG1 3.3Å; V1092-I1095 PolarHBondContact O-N 3.09Å; V1092-I1095 VanDerWaalsContact O-N 3.12Å; N1093-I1095 VanDerWaalsContact C-N 3.34Å; I1095-L1120 HydrophobicContact CG2-CD1 3.97Å; I1095-L1120 HydrophobicContact CG2-CD2 4.47Å; I1095-R1149 WeakPolarHBondContact O-CA 3.49Å; I1095-R1149 VanDerWaalsContact O-CB 3.23Å; I1095-R1149 WeakPolarHBondContact O-CB 3.31Å; I1095-R1149 WeakPolarHBondContact O-CG 3.39Å; I1095-R1149 PolarHBondContact O-NE 3.16Å |
| 1096 | P | 87.3 | Confident | 87.7 | Confident | 0.8 Ų | 0.8 | 32.8 Ų | 32.8 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -53.4 | 148.8 | 176.8 | -14.3 | 20.2 | 0 | 0 | 0 | 112.4 | V1072 L1073 L1100 L1120 R1149 L1151 T1171 | V1072-P1096 HydrophobicContact CG1-CG 4.21Å; L1073-P1096 HydrophobicContact CD1-CG 3.85Å; L1073-P1096 HydrophobicContact CG-CG 4.38Å; P1096-L1100 HydrophobicContact CG-CD1 4.29Å; P1096-L1120 VanDerWaalsContact O-CD1 3.31Å; P1096-L1120 WeakPolarHBondContact O-CD1 3.17Å; P1096-R1149 WeakPolarHBondContact CA-O 3.42Å; P1096-R1149 PolarHBondContact O-NH2 3.15Å; P1096-L1151 HydrophobicContact CB-CD1 3.85Å; P1096-L1151 HydrophobicContact CG-CD1 4.34Å; P1096-T1171 HydrophobicContact CB-CG2 4.42Å; P1096-T1171 HydrophobicContact CG-CG2 3.81Å |
| 1097 | S | 85.4 | Confident | 87.3 | Confident | 2.4 Ų | 2.4 | 33.1 Ų | 33.1 | 2% | 0.017 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -88.7 | 160.8 | 172.6 | 52.2 | 0 | 0 | 0 | 0 | 112.1 | G1121 S1125 R1149 Q1193 H1194 | S1097-G1121 VanDerWaalsContact CA-O 3.23Å; S1097-G1121 WeakPolarHBondContact CA-O 3.32Å; S1097-G1121 VanDerWaalsContact CB-O 3.25Å; S1097-G1121 WeakPolarHBondContact CB-O 3.18Å; S1097-S1125 PolarHBondContact OG-OG 2.84Å; S1097-R1149 PolarHBondContact N-O 3.15Å; S1097-R1149 PolarHBondContact OG-O 3.03Å; S1097-R1149 VanDerWaalsContact OG-O 3.1Å; S1097-Q1193 PolarHBondContact OG-NE2 2.97Å; S1097-Q1193 PolarHBondContact OG-OE1 3.12Å; S1097-H1194 PolarHBondContact O-CE1 3.01Å; S1097-H1194 PolarHBondContact O-ND1 2.94Å |
| 1098 | G | 84.7 | Confident | 86.6 | Confident | 5 Ų | 5 | 38.2 Ų | 38.2 | 5% | 0.052 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 101 | -166.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q1119 L1120 G1121 N1122 | G1098-Q1119 VanDerWaalsContact C-OE1 3.29Å; G1098-Q1119 PolarHBondContact O-OE1 3.01Å; G1098-L1120 WeakPolarHBondContact O-CB 2.98Å; G1098-L1120 PolarHBondContact O-N 2.84Å; G1098-G1121 PolarHBondContact N-O 3.22Å; G1098-G1121 VanDerWaalsContact N-O 3.11Å; G1098-N1122 VanDerWaalsContact CA-OD1 3.3Å; G1098-N1122 WeakPolarHBondContact CA-OD1 3.38Å; G1098-N1122 PolarHBondContact N-OD1 3.09Å |
| 1099 | L | 86.4 | Confident | 86.3 | Confident | 74.6 Ų | 74.6 | 42.8 Ų | 42.8 | 39% | 0.391 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 119.9 | -176.8 | 177.5 | 67.8 | 0 | 0 | 0 | 109.9 | N1117 I1118 Q1119 H1194 | L1099-N1117 HydrophobicContact CD1-CB 4.22Å; L1099-I1118 WeakPolarHBondContact CA-O 3.44Å; L1099-Q1119 HydrophobicContact CD1-CB 4.38Å; L1099-H1194 PolarHBondContact O-NE2 2.91Å; L1099-H1194 VanDerWaalsContact O-NE2 3.13Å |
| 1100 | L | 88.8 | Confident | 86.2 | Confident | 1.8 Ų | 1.8 | 38.9 Ų | 38.9 | 1% | 0.009 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 155.4 | 176.7 | -60.4 | 178.1 | 0 | 0 | 0 | 110.9 | L1065 F1067 V1072 P1096 I1118 L1120 L1151 | L1065-L1100 HydrophobicContact CB-CB 4.42Å; L1065-L1100 HydrophobicContact CB-CD1 4.04Å; L1065-L1100 HydrophobicContact CD1-CD1 4.16Å; L1065-L1100 HydrophobicContact CD2-CB 4.41Å; F1067-L1100 HydrophobicContact CB-CD2 3.95Å; F1067-L1100 HydrophobicContact CD2-CD2 4.15Å; F1067-L1100 HydrophobicContact CG-CD2 4.46Å; V1072-L1100 HydrophobicContact CG2-CD2 4.36Å; P1096-L1100 HydrophobicContact CG-CD1 4.29Å; L1100-I1118 PolarHBondContact N-O 2.91Å; L1100-I1118 PolarHBondContact O-N 2.97Å; L1100-L1120 HydrophobicContact CD1-CD1 3.81Å; L1100-L1120 HydrophobicContact CG-CD1 4.39Å; L1100-L1151 HydrophobicContact CD2-CD1 4.22Å |
| 1101 | I | 89.3 | Confident | 86.2 | Confident | 66.4 Ų | 66.4 | 38.9 Ų | 38.9 | 34% | 0.341 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 116.3 | 174.9 | -59.4 | 177.8 | 0 | 0 | 0 | 108.7 | L1065 M1066 P1115 | L1065-I1101 CarbonylContact C-O 3.57Å; L1065-I1101 WeakPolarHBondContact CA-O 3.42Å; M1066-I1101 WeakPolarHBondContact CB-O 3.32Å; M1066-I1101 PolarHBondContact N-O 2.9Å; M1066-I1101 PolarHBondContact O-N 2.98Å; I1101-P1115 HydrophobicContact CG2-CB 3.63Å; I1101-P1115 HydrophobicContact CG2-CG 4.48Å |
| 1102 | G | 90.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 128.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1064 P1115 I1116 | F1064-G1102 CarbonylContact O-C 3.48Å; F1064-G1102 VanDerWaalsContact O-CA 3.29Å; F1064-G1102 WeakPolarHBondContact O-CA 3.28Å; G1102-P1115 CarbonylContact O-C 3.54Å; G1102-P1115 WeakPolarHBondContact O-CA 3.33Å; G1102-I1116 WeakPolarHBondContact CA-O 3.2Å; G1102-I1116 PolarHBondContact N-O 2.75Å; G1102-I1116 PolarHBondContact O-N 3Å |
| 1103 | R | 90.1 | Very high | 85.5 | Confident | 90.4 Ų | 90.4 | 41.1 Ų | 41.1 | 34% | 0.341 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 119.8 | 164.5 | -75.7 | -170.7 | 148.7 | 153.7 | -3 | 110.2 | L1063 F1064 M1066 F1111 P1115 | L1063-R1103 WeakPolarHBondContact CA-O 3.27Å; F1064-R1103 HydrophobicContact CB-CB 4.46Å; F1064-R1103 PolarHBondContact N-O 2.85Å; F1064-R1103 PolarHBondContact O-N 2.88Å; M1066-R1103 HydrophobicContact SD-CG 4.19Å; R1103-F1111 HydrophobicContact CB-CD1 4.03Å; R1103-F1111 HydrophobicContact CB-CE1 4.14Å; R1103-P1115 HydrophobicContact CG-CB 4.38Å |
| 1104 | L | 90.6 | Very high | 85.3 | Confident | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.01 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 130.6 | 176.6 | -172.5 | 66.5 | 0 | 0 | 0 | 110 | V1032 L1048 F1053 Y1061 E1062 L1063 L1085 F1087 F1111 L1112 I1116 | V1032-L1104 HydrophobicContact CG2-CB 4.47Å; V1032-L1104 HydrophobicContact CG2-CD2 3.72Å; L1048-L1104 HydrophobicContact CD1-CD1 4.44Å; L1048-L1104 HydrophobicContact CD1-CD2 4.42Å; F1053-L1104 HydrophobicContact CE1-CD2 4.32Å; Y1061-L1104 HydrophobicContact CD1-CD1 4Å; Y1061-L1104 HydrophobicContact CD1-CD2 4.11Å; Y1061-L1104 HydrophobicContact CD1-CG 4.16Å; Y1061-L1104 HydrophobicContact CE1-CD2 4.31Å; E1062-L1104 WeakPolarHBondContact O-CA 3.21Å; L1063-L1104 HydrophobicContact CB-CD1 4.38Å; L1063-L1104 HydrophobicContact CD1-CB 4.47Å; L1085-L1104 HydrophobicContact CD1-CD1 4.01Å; L1085-L1104 HydrophobicContact CD1-CD2 3.58Å; L1085-L1104 VanDerWaalsContact CD1-CD2 3.46Å; L1085-L1104 HydrophobicContact CD1-CG 4.43Å; F1087-L1104 HydrophobicContact CZ-CD1 3.96Å; L1104-F1111 WeakPolarHBondContact O-CA 3.31Å; L1104-L1112 HydrophobicContact CB-CD1 4.19Å; L1104-L1112 HydrophobicContact CB-CD2 4.38Å; L1104-L1112 HydrophobicContact CB-CG 4.43Å; L1104-L1112 HydrophobicContact CD2-CD1 3.99Å; L1104-L1112 HydrophobicContact CD2-CD2 3.96Å; L1104-L1112 HydrophobicContact CG-CD1 4.25Å; L1104-L1112 WeakPolarHBondContact O-CD1 3.48Å; L1104-L1112 PolarHBondContact O-N 2.93Å; L1104-I1116 HydrophobicContact CB-CD1 4.12Å |
| 1105 | R | 89.3 | Confident | 85.3 | Confident | 49 Ų | 49 | 46.2 Ų | 46.2 | 19% | 0.185 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.7 | 177 | -169.3 | -178.1 | 114.5 | -177.7 | 1.2 | 110.3 | G275 I313 Y1061 E1062 F1064 G1110 F1111 | G275-R1105 PolarHBondContact O-NE 2.58Å; G275-R1105 PolarHBondContact O-NH2 3.18Å; I313-R1105 VanDerWaalsContact CG2-NH2 3.35Å; Y1061-R1105 CarbonylContact C-O 3.54Å; Y1061-R1105 VanDerWaalsContact CA-O 3.28Å; Y1061-R1105 WeakPolarHBondContact CA-O 3.35Å; E1062-R1105 HydrophobicContact CB-CB 4.38Å; E1062-R1105 VanDerWaalsContact CD-NH2 3.32Å; E1062-R1105 PolarHBondContact N-O 3.08Å; E1062-R1105 WeakPolarHBondContact O-CB 3.26Å; E1062-R1105 PolarHBondContact O-N 3.07Å; E1062-R1105 IonicContact OE1-NH2 3.06Å; E1062-R1105 IonicContact OE2-CZ 2.9Å; E1062-R1105 IonicContact OE2-NE 2.99Å; E1062-R1105 PolarHBondContact OE2-NE 3.11Å; E1062-R1105 IonicContact OE2-NH1 3.17Å; E1062-R1105 PolarHBondContact OE2-NH1 2.82Å; E1062-R1105 IonicContact OE2-NH2 2.93Å; E1062-R1105 PolarHBondContact OE2-NH2 3.13Å; F1064-R1105 HydrophobicContact CD2-CB 4.31Å; F1064-R1105 HydrophobicContact CE2-CB 4.22Å; R1105-G1110 WeakPolarHBondContact CA-O 3.19Å; R1105-G1110 WeakPolarHBondContact CG-O 3.38Å; R1105-F1111 HydrophobicContact CB-CD1 3.73Å; R1105-F1111 HydrophobicContact CB-CE1 3.74Å; R1105-F1111 HydrophobicContact CB-CG 4.34Å; R1105-F1111 HydrophobicContact CB-CZ 4.29Å; R1105-F1111 HydrophobicContact CG-CD1 4.07Å; R1105-F1111 HydrophobicContact CG-CD2 4.35Å; R1105-F1111 HydrophobicContact CG-CE1 4.11Å; R1105-F1111 HydrophobicContact CG-CE2 4.29Å; R1105-F1111 HydrophobicContact CG-CG 4.25Å; R1105-F1111 HydrophobicContact CG-CZ 4.28Å |
| 1106 | L | 87.5 | Confident | 85.3 | Confident | 7.4 Ų | 7.4 | 47 Ų | 47 | 4% | 0.039 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 124.7 | 159.7 | -125.6 | 76.5 | 0 | 0 | 0 | 108 | P1030 I1054 S1060 Y1061 D1108 K1109 G1110 L1112 | P1030-L1106 HydrophobicContact CG-CD1 3.95Å; P1030-L1106 HydrophobicContact CG-CD2 3.92Å; I1054-L1106 HydrophobicContact CD1-CD1 4.17Å; I1054-L1106 HydrophobicContact CD1-CD2 4.27Å; S1060-L1106 CarbonylContact O-C 3.47Å; S1060-L1106 VanDerWaalsContact O-CA 3.31Å; S1060-L1106 WeakPolarHBondContact O-CA 3.34Å; S1060-L1106 WeakPolarHBondContact O-CD1 3.22Å; Y1061-L1106 HydrophobicContact CD1-CD1 3.77Å; Y1061-L1106 HydrophobicContact CD1-CG 3.91Å; Y1061-L1106 HydrophobicContact CE1-CD1 3.28Å; Y1061-L1106 HydrophobicContact CE1-CD2 4.13Å; Y1061-L1106 HydrophobicContact CE1-CG 3.94Å; Y1061-L1106 HydrophobicContact CE2-CD1 4.29Å; Y1061-L1106 HydrophobicContact CG-CD1 4.32Å; Y1061-L1106 VanDerWaalsContact CZ-CD1 3.49Å; L1106-D1108 VanDerWaalsContact C-N 3.28Å; L1106-D1108 WeakPolarHBondContact CD2-OD1 3.23Å; L1106-D1108 WeakPolarHBondContact CG-OD1 3.42Å; L1106-D1108 PolarHBondContact O-N 2.96Å; L1106-D1108 VanDerWaalsContact O-N 3.14Å; L1106-K1109 HydrophobicContact CB-CB 4.08Å; L1106-K1109 HydrophobicContact CB-CG 4.48Å; L1106-K1109 HydrophobicContact CD2-CB 3.99Å; L1106-K1109 HydrophobicContact CD2-CD 3.79Å; L1106-K1109 HydrophobicContact CD2-CG 3.89Å; L1106-K1109 PolarHBondContact O-N 2.81Å; L1106-K1109 VanDerWaalsContact O-N 3.12Å; L1106-G1110 PolarHBondContact N-O 3.02Å; L1106-G1110 CarbonylContact O-C 3.57Å; L1106-G1110 VanDerWaalsContact O-CA 3.32Å; L1106-G1110 WeakPolarHBondContact O-CA 3.17Å; L1106-G1110 PolarHBondContact O-N 3.08Å; L1106-L1112 HydrophobicContact CD1-CD1 4.44Å; L1106-L1112 HydrophobicContact CD1-CD2 4.38Å |
| 1107 | I | 83.8 | Confident | 85.4 | Confident | 61.6 Ų | 61.6 | 52.1 Ų | 52.1 | 32% | 0.316 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -36.6 | -172.8 | -62.6 | -166.5 | 0 | 0 | 0 | 112.1 | S277 N1059 S1060 E1062 | S277-I1107 WeakPolarHBondContact CB-O 3.36Å; S277-I1107 PolarHBondContact N-O 3Å; N1059-I1107 WeakPolarHBondContact O-CD1 3.26Å; S1060-I1107 PolarHBondContact O-N 3.21Å; E1062-I1107 HydrophobicContact CG-CD1 4.1Å; E1062-I1107 HydrophobicContact CG-CG1 4.16Å |
| 1108 | D | 77.1 | Confident | 85.6 | Confident | 107.2 Ų | 107.2 | 52 Ų | 52 | 57% | 0.573 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | -23.6 | -178 | 23.2 | -33.2 | 0 | 0 | 0 | 114 | L1106 | L1106-D1108 VanDerWaalsContact C-N 3.28Å; L1106-D1108 WeakPolarHBondContact CD2-OD1 3.23Å; L1106-D1108 WeakPolarHBondContact CG-OD1 3.42Å; L1106-D1108 PolarHBondContact O-N 2.96Å; L1106-D1108 VanDerWaalsContact O-N 3.14Å |
| 1109 | K | 79.6 | Confident | 85.7 | Confident | 103.2 Ų | 103.2 | 56.9 Ų | 56.9 | 45% | 0.449 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | -19.8 | -174.1 | -60 | -156.3 | -174.6 | 179.4 | 0 | 115 | T270 S271 L1027 L1028 L1106 | T270-K1109 CarbonylContact C-O 3.59Å; T270-K1109 VanDerWaalsContact CA-O 3.28Å; T270-K1109 WeakPolarHBondContact CA-O 3.34Å; T270-K1109 WeakPolarHBondContact CB-O 3.26Å; S271-K1109 PolarHBondContact N-O 2.98Å; L1027-K1109 HydrophobicContact CD1-CB 3.87Å; L1027-K1109 HydrophobicContact CD2-CB 4.12Å; L1027-K1109 HydrophobicContact CD2-CD 3.67Å; L1027-K1109 HydrophobicContact CD2-CG 4.39Å; L1028-K1109 HydrophobicContact CB-CD 4.23Å; L1028-K1109 WeakPolarHBondContact O-CD 3.49Å; L1028-K1109 PolarHBondContact O-NZ 3.13Å; L1106-K1109 HydrophobicContact CB-CB 4.08Å; L1106-K1109 HydrophobicContact CB-CG 4.48Å; L1106-K1109 HydrophobicContact CD2-CB 3.99Å; L1106-K1109 HydrophobicContact CD2-CD 3.79Å; L1106-K1109 HydrophobicContact CD2-CG 3.89Å; L1106-K1109 PolarHBondContact O-N 2.81Å; L1106-K1109 VanDerWaalsContact O-N 3.12Å |
| 1110 | G | 84.3 | Confident | 85.7 | Confident | 17.8 Ų | 17.8 | 53.6 Ų | 53.6 | 18% | 0.184 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 104.1 | -164.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | G274 G275 G276 R1105 L1106 | G274-G1110 CarbonylContact O-C 3.55Å; G274-G1110 VanDerWaalsContact O-CA 3.3Å; G274-G1110 WeakPolarHBondContact O-CA 3.43Å; G275-G1110 VanDerWaalsContact C-CA 3.42Å; G276-G1110 VanDerWaalsContact N-CA 3.3Å; R1105-G1110 WeakPolarHBondContact CA-O 3.19Å; R1105-G1110 WeakPolarHBondContact CG-O 3.38Å; L1106-G1110 PolarHBondContact N-O 3.02Å; L1106-G1110 CarbonylContact O-C 3.57Å; L1106-G1110 VanDerWaalsContact O-CA 3.32Å; L1106-G1110 WeakPolarHBondContact O-CA 3.17Å; L1106-G1110 PolarHBondContact O-N 3.08Å |
| 1111 | F | 85.6 | Confident | 85.3 | Confident | 69 Ų | 69 | 54.6 Ų | 54.6 | 30% | 0.303 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 146.2 | -179.2 | -70.8 | -77.1 | 0 | 0 | 0 | 111.6 | S271 G274 F1064 R1103 L1104 R1105 | S271-F1111 WeakPolarHBondContact CB-O 3.48Å; S271-F1111 PolarHBondContact OG-O 3.4Å; G274-F1111 WeakPolarHBondContact O-CD2 3.37Å; G274-F1111 PolarHBondContact O-N 2.88Å; F1064-F1111 AromaticContact CD2-CE1 3.66Å; F1064-F1111 HydrophobicContact CD2-CE1 3.66Å; F1064-F1111 HydrophobicContact CD2-CZ 4.15Å; F1064-F1111 AromaticContact CE2-CE1 3.9Å; F1064-F1111 HydrophobicContact CE2-CE1 3.9Å; F1064-F1111 AromaticContact CE2-CZ 3.93Å; F1064-F1111 HydrophobicContact CE2-CZ 4.04Å; F1064-F1111 HydrophobicContact CG-CE1 4.25Å; F1064-F1111 HydrophobicContact CG-CZ 4.49Å; F1064-F1111 HydrophobicContact CZ-CZ 4.37Å; R1103-F1111 HydrophobicContact CB-CD1 4.03Å; R1103-F1111 HydrophobicContact CB-CE1 4.14Å; L1104-F1111 WeakPolarHBondContact O-CA 3.31Å; R1105-F1111 HydrophobicContact CB-CD1 3.73Å; R1105-F1111 HydrophobicContact CB-CE1 3.74Å; R1105-F1111 HydrophobicContact CB-CG 4.34Å; R1105-F1111 HydrophobicContact CB-CZ 4.29Å; R1105-F1111 HydrophobicContact CG-CD1 4.07Å; R1105-F1111 HydrophobicContact CG-CD2 4.35Å; R1105-F1111 HydrophobicContact CG-CE1 4.11Å; R1105-F1111 HydrophobicContact CG-CE2 4.29Å; R1105-F1111 HydrophobicContact CG-CG 4.25Å; R1105-F1111 HydrophobicContact CG-CZ 4.28Å |
| 1112 | L | 84 | Confident | 84.8 | Confident | 19.2 Ų | 19.2 | 54.8 Ų | 54.8 | 10% | 0.101 | 28% | 0.284 | C | S | . | . | trans | -70.3 | 151.2 | 164.4 | -66 | 141.5 | 0 | 0 | 0 | 109.8 | L1027 P1030 V1032 L1104 L1106 D1114 | L1027-L1112 HydrophobicContact CB-CD2 4.36Å; L1027-L1112 HydrophobicContact CD1-CD2 4.33Å; P1030-L1112 HydrophobicContact CG-CD1 4.27Å; P1030-L1112 HydrophobicContact CG-CD2 4.27Å; P1030-L1112 VanDerWaalsContact O-CD1 3.31Å; P1030-L1112 WeakPolarHBondContact O-CD1 3.21Å; P1030-L1112 VanDerWaalsContact O-CD2 3.28Å; P1030-L1112 WeakPolarHBondContact O-CD2 3.33Å; P1030-L1112 WeakPolarHBondContact O-CG 3.35Å; V1032-L1112 HydrophobicContact CG2-CD1 4Å; V1032-L1112 HydrophobicContact CG2-CD2 3.9Å; L1104-L1112 HydrophobicContact CB-CD1 4.19Å; L1104-L1112 HydrophobicContact CB-CD2 4.38Å; L1104-L1112 HydrophobicContact CB-CG 4.43Å; L1104-L1112 HydrophobicContact CD2-CD1 3.99Å; L1104-L1112 HydrophobicContact CD2-CD2 3.96Å; L1104-L1112 HydrophobicContact CG-CD1 4.25Å; L1104-L1112 WeakPolarHBondContact O-CD1 3.48Å; L1104-L1112 PolarHBondContact O-N 2.93Å; L1106-L1112 HydrophobicContact CD1-CD1 4.44Å; L1106-L1112 HydrophobicContact CD1-CD2 4.38Å; L1112-D1114 VanDerWaalsContact C-N 3.32Å; L1112-D1114 PolarHBondContact O-N 3.04Å | ||
| 1113 | N | 74.7 | Confident | 84 | Confident | 92.2 Ų | 92.2 | 62.2 Ų | 62.2 | 49% | 0.493 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -63.3 | -39.3 | -175.2 | -76.7 | -12.8 | 0 | 0 | 0 | 113 | S272 S273 D1026 | S272-N1113 PolarHBondContact OG-OD1 3.4Å; S273-N1113 PolarHBondContact OG-OD1 3.48Å; D1026-N1113 PolarHBondContact OD1-ND2 2.89Å; D1026-N1113 VanDerWaalsContact OD1-ND2 3.1Å; D1026-N1113 PolarHBondContact OD2-ND2 2.87Å |
| 1114 | D | 80.1 | Confident | 83.4 | Confident | 129.2 Ų | 129.2 | 61.2 Ų | 61.2 | 69% | 0.691 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -101.6 | 129.6 | -172 | -62.9 | -48.5 | 0 | 0 | 0 | 112.9 | L1112 | L1112-D1114 VanDerWaalsContact C-N 3.32Å; L1112-D1114 PolarHBondContact O-N 3.04Å |
| 1115 | P | 84.6 | Confident | 83.1 | Confident | 69.4 Ų | 69.4 | 62 Ų | 62 | 45% | 0.451 | 33% | 0.331 | S | S | . | . | trans | -73.4 | 153.6 | 170 | 30.7 | -32.9 | 0 | 0 | 0 | 111.8 | I1101 G1102 R1103 | I1101-P1115 HydrophobicContact CG2-CB 3.63Å; I1101-P1115 HydrophobicContact CG2-CG 4.48Å; G1102-P1115 CarbonylContact O-C 3.54Å; G1102-P1115 WeakPolarHBondContact O-CA 3.33Å; R1103-P1115 HydrophobicContact CG-CB 4.38Å | ||
| 1116 | I | 88.1 | Confident | 83 | Confident | 17.6 Ų | 17.6 | 64.1 Ų | 64.1 | 9% | 0.09 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 121.2 | -171.6 | -53 | 150.2 | 0 | 0 | 0 | 109.1 | V1032 L1048 G1102 L1104 I1118 | V1032-I1116 HydrophobicContact CB-CD1 4.03Å; V1032-I1116 HydrophobicContact CB-CG1 4.22Å; V1032-I1116 HydrophobicContact CG1-CD1 3.92Å; V1032-I1116 HydrophobicContact CG1-CG1 4.1Å; V1032-I1116 HydrophobicContact CG1-CG2 4.3Å; V1032-I1116 HydrophobicContact CG2-CD1 3.81Å; V1032-I1116 HydrophobicContact CG2-CG1 4.47Å; L1048-I1116 HydrophobicContact CD1-CD1 4.06Å; L1048-I1116 HydrophobicContact CD2-CG2 4.29Å; G1102-I1116 WeakPolarHBondContact CA-O 3.2Å; G1102-I1116 PolarHBondContact N-O 2.75Å; G1102-I1116 PolarHBondContact O-N 3Å; L1104-I1116 HydrophobicContact CB-CD1 4.12Å; I1116-I1118 HydrophobicContact CB-CG1 4.48Å; I1116-I1118 HydrophobicContact CG2-CD1 4.44Å; I1116-I1118 HydrophobicContact CG2-CG1 4.07Å; I1116-I1118 PolarHBondContact O-N 3.19Å |
| 1117 | N | 88.1 | Confident | 83.1 | Confident | 109.2 Ų | 109.2 | 64.4 Ų | 64.4 | 58% | 0.584 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 122.3 | 172.8 | -73.2 | -28.4 | 0 | 0 | 0 | 110.4 | S1035 L1099 | S1035-N1117 PolarHBondContact OG-O 2.83Å; S1035-N1117 VanDerWaalsContact OG-O 3.09Å; L1099-N1117 HydrophobicContact CD1-CB 4.22Å |
| 1118 | I | 89.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 111.1 | -176.5 | -65.3 | 167.2 | 0 | 0 | 0 | 109.4 | L1046 L1048 L1063 L1065 L1099 L1100 I1116 L1120 | L1046-I1118 HydrophobicContact CD1-CG1 4.5Å; L1046-I1118 HydrophobicContact CD1-CG2 3.8Å; L1046-I1118 HydrophobicContact CD2-CD1 3.95Å; L1046-I1118 HydrophobicContact CD2-CG1 4.46Å; L1046-I1118 HydrophobicContact CD2-CG2 3.95Å; L1046-I1118 HydrophobicContact CG-CG2 4.47Å; L1048-I1118 HydrophobicContact CD2-CD1 4.37Å; L1048-I1118 HydrophobicContact CD2-CG1 4.33Å; L1063-I1118 HydrophobicContact CD1-CD1 4.21Å; L1063-I1118 HydrophobicContact CD2-CD1 4.03Å; L1065-I1118 HydrophobicContact CD2-CB 4.44Å; L1065-I1118 HydrophobicContact CD2-CD1 3.38Å; L1065-I1118 VanDerWaalsContact CD2-CD1 3.43Å; L1065-I1118 HydrophobicContact CD2-CG1 4.45Å; L1065-I1118 HydrophobicContact CD2-CG2 4.37Å; L1099-I1118 WeakPolarHBondContact CA-O 3.44Å; L1100-I1118 PolarHBondContact N-O 2.91Å; L1100-I1118 PolarHBondContact O-N 2.97Å; I1116-I1118 HydrophobicContact CB-CG1 4.48Å; I1116-I1118 HydrophobicContact CG2-CD1 4.44Å; I1116-I1118 HydrophobicContact CG2-CG1 4.07Å; I1116-I1118 PolarHBondContact O-N 3.19Å; I1118-L1120 HydrophobicContact CG2-CD2 3.9Å; I1118-L1120 HydrophobicContact CG2-CG 4.14Å; I1118-L1120 PolarHBondContact O-N 3.21Å |
| 1119 | Q | 87.1 | Confident | 83.7 | Confident | 108.6 Ų | 108.6 | 65.1 Ų | 65.1 | 51% | 0.507 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 102.2 | 178.9 | 178.9 | 64.7 | -64.2 | 0 | 0 | 110.3 | V1037 G1098 L1099 G1121 | V1037-Q1119 VanDerWaalsContact CG2-O 3.32Å; V1037-Q1119 WeakPolarHBondContact CG2-O 3.39Å; G1098-Q1119 VanDerWaalsContact C-OE1 3.29Å; G1098-Q1119 PolarHBondContact O-OE1 3.01Å; L1099-Q1119 HydrophobicContact CD1-CB 4.38Å; Q1119-G1121 VanDerWaalsContact C-N 3.32Å; Q1119-G1121 PolarHBondContact O-N 3.23Å; Q1119-G1121 VanDerWaalsContact OE1-N 3.08Å |
| 1120 | L | 86.5 | Confident | 83.9 | Confident | 3.6 Ų | 3.6 | 60.7 Ų | 60.7 | 2% | 0.019 | 33% | 0.325 | C | S | . | . | trans | -83.6 | -6.2 | 179.6 | -63 | 173.8 | 0 | 0 | 0 | 113.3 | V1037 L1044 L1065 F1088 I1095 P1096 G1098 L1100 I1118 R1149 | V1037-L1120 HydrophobicContact CG2-CD2 4.19Å; L1044-L1120 HydrophobicContact CD1-CD2 4.38Å; L1044-L1120 HydrophobicContact CD2-CD2 4.22Å; L1065-L1120 HydrophobicContact CD1-CD1 4.44Å; F1088-L1120 HydrophobicContact CE2-CD2 4.34Å; I1095-L1120 HydrophobicContact CG2-CD1 3.97Å; I1095-L1120 HydrophobicContact CG2-CD2 4.47Å; P1096-L1120 VanDerWaalsContact O-CD1 3.31Å; P1096-L1120 WeakPolarHBondContact O-CD1 3.17Å; G1098-L1120 WeakPolarHBondContact O-CB 2.98Å; G1098-L1120 PolarHBondContact O-N 2.84Å; L1100-L1120 HydrophobicContact CD1-CD1 3.81Å; L1100-L1120 HydrophobicContact CG-CD1 4.39Å; I1118-L1120 HydrophobicContact CG2-CD2 3.9Å; I1118-L1120 HydrophobicContact CG2-CG 4.14Å; I1118-L1120 PolarHBondContact O-N 3.21Å; L1120-R1149 PolarHBondContact O-NH1 2.79Å; L1120-R1149 PolarHBondContact O-NH2 3.09Å | ||
| 1121 | G | 81.9 | Confident | 83.6 | Confident | 24.2 Ų | 24.2 | 62.4 Ų | 62.4 | 25% | 0.249 | 33% | 0.331 | C | S | . | . | trans | 72 | 168.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1097 G1098 Q1119 R1149 | S1097-G1121 VanDerWaalsContact CA-O 3.23Å; S1097-G1121 WeakPolarHBondContact CA-O 3.32Å; S1097-G1121 VanDerWaalsContact CB-O 3.25Å; S1097-G1121 WeakPolarHBondContact CB-O 3.18Å; G1098-G1121 PolarHBondContact N-O 3.22Å; G1098-G1121 VanDerWaalsContact N-O 3.11Å; Q1119-G1121 VanDerWaalsContact C-N 3.32Å; Q1119-G1121 PolarHBondContact O-N 3.23Å; Q1119-G1121 VanDerWaalsContact OE1-N 3.08Å; G1121-R1149 PolarHBondContact O-NH1 2.77Å; G1121-R1149 PolarHBondContact O-NH2 3.4Å | ||
| 1122 | N | 77.2 | Confident | 82.9 | Confident | 70.6 Ų | 70.6 | 62.6 Ų | 62.6 | 38% | 0.378 | 33% | 0.333 | S | S | . | . | trans | -113.7 | -3.4 | -177.3 | -60.3 | -13.6 | 0 | 0 | 0 | 113.2 | G1098 S1125 S1196 | G1098-N1122 VanDerWaalsContact CA-OD1 3.3Å; G1098-N1122 WeakPolarHBondContact CA-OD1 3.38Å; G1098-N1122 PolarHBondContact N-OD1 3.09Å; N1122-S1125 VanDerWaalsContact O-CB 3.29Å; N1122-S1125 WeakPolarHBondContact O-CB 3.35Å; N1122-S1125 PolarHBondContact O-N 3Å; N1122-S1196 WeakPolarHBondContact ND2-CB 3.34Å; N1122-S1196 PolarHBondContact ND2-OG 2.98Å | ||
| 1123 | E | 74.8 | Confident | 81.9 | Confident | 154.4 Ų | 154.4 | 64.1 Ų | 64.1 | 72% | 0.721 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 141.6 | -179.6 | -58.6 | -128.8 | 174.7 | 0 | 0 | 111.1 | S1125 R1149 | E1123-S1125 VanDerWaalsContact C-N 3.27Å; E1123-S1125 PolarHBondContact O-N 2.82Å; E1123-R1149 VanDerWaalsContact O-CD 3.3Å; E1123-R1149 WeakPolarHBondContact O-CD 3.39Å; E1123-R1149 PolarHBondContact O-NH1 2.99Å |
| 1124 | S | 76.9 | Confident | 81 | Confident | 69.2 Ų | 69.2 | 61.3 Ų | 61.3 | 48% | 0.484 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.1 | 13.5 | -177.4 | -47.2 | 0 | 0 | 0 | 0 | 116.2 | E1126 S1148 | S1124-E1126 PolarHBondContact O-N 3.12Å; S1124-S1148 PolarHBondContact O-OG 2.96Å |
| 1125 | S | 83.9 | Confident | 79.8 | Confident | 18.4 Ų | 18.4 | 59.2 Ų | 59.2 | 13% | 0.129 | 33% | 0.325 | C | S | . | . | trans | -78.7 | 113 | 167.5 | -157.9 | 0 | 0 | 0 | 0 | 109.1 | S1097 N1122 E1123 S1148 R1149 Q1193 I1198 | S1097-S1125 PolarHBondContact OG-OG 2.84Å; N1122-S1125 VanDerWaalsContact O-CB 3.29Å; N1122-S1125 WeakPolarHBondContact O-CB 3.35Å; N1122-S1125 PolarHBondContact O-N 3Å; E1123-S1125 VanDerWaalsContact C-N 3.27Å; E1123-S1125 PolarHBondContact O-N 2.82Å; S1125-S1148 WeakPolarHBondContact CA-O 3.47Å; S1125-S1148 PolarHBondContact OG-O 3.03Å; S1125-S1148 VanDerWaalsContact OG-O 3.05Å; S1125-R1149 PolarHBondContact OG-O 3.07Å; S1125-Q1193 PolarHBondContact OG-NE2 3.02Å; S1125-Q1193 VanDerWaalsContact OG-NE2 3.09Å; S1125-I1198 VanDerWaalsContact CB-CD1 3.48Å; S1125-I1198 VanDerWaalsContact O-CG2 3.26Å; S1125-I1198 WeakPolarHBondContact O-CG2 3.4Å; S1125-I1198 WeakPolarHBondContact OG-CD1 3.34Å | ||
| 1126 | E | 87 | Confident | 78.2 | Confident | 93.4 Ų | 93.4 | 61.2 Ų | 61.2 | 44% | 0.436 | 33% | 0.327 | S | S | . | . | trans | -139 | 157.1 | -174.3 | 61.1 | 171.2 | -165.2 | 0 | 0 | 112.1 | S1124 K1128 G1147 S1148 F1150 | S1124-E1126 PolarHBondContact O-N 3.12Å; E1126-K1128 HydrophobicContact CG-CG 4.22Å; E1126-K1128 WeakPolarHBondContact OE1-CE 3.34Å; E1126-K1128 VanDerWaalsContact OE1-CG 3.29Å; E1126-K1128 WeakPolarHBondContact OE1-CG 3.32Å; E1126-G1147 CarbonylContact O-C 3.4Å; E1126-G1147 WeakPolarHBondContact O-CA 3.45Å; E1126-S1148 VanDerWaalsContact CG-OG 3.28Å; E1126-S1148 WeakPolarHBondContact CG-OG 3.33Å; E1126-S1148 PolarHBondContact N-OG 3.14Å; E1126-S1148 VanDerWaalsContact N-OG 3.17Å; E1126-S1148 PolarHBondContact O-N 2.93Å; E1126-S1148 VanDerWaalsContact O-N 3.09Å; E1126-F1150 WeakPolarHBondContact O-CE1 3.39Å | ||
| 1127 | I | 90.4 | Very high | 76.5 | Confident | 13.8 Ų | 13.8 | 66.2 Ų | 66.2 | 7% | 0.071 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 117.6 | 162.8 | -60.6 | 166.6 | 0 | 0 | 0 | 106.5 | I1130 I1145 I1189 I1191 I1198 K1200 | I1127-I1130 HydrophobicContact CG2-CD1 3.94Å; I1127-I1130 HydrophobicContact CG2-CG1 3.77Å; I1127-I1145 HydrophobicContact CB-CG2 4.45Å; I1127-I1145 HydrophobicContact CG1-CG2 4.37Å; I1127-I1145 HydrophobicContact CG2-CG2 3.67Å; I1127-I1189 HydrophobicContact CD1-CB 4.38Å; I1127-I1189 HydrophobicContact CD1-CG2 4.07Å; I1127-I1191 HydrophobicContact CD1-CD1 3.76Å; I1127-I1191 HydrophobicContact CD1-CG1 3.94Å; I1127-I1191 HydrophobicContact CG1-CD1 3.54Å; I1127-I1191 VanDerWaalsContact CG1-CD1 3.47Å; I1127-I1191 HydrophobicContact CG1-CG1 4.27Å; I1127-I1198 HydrophobicContact CB-CG2 4.5Å; I1127-I1198 HydrophobicContact CD1-CG2 4.34Å; I1127-I1198 HydrophobicContact CG1-CB 4.43Å; I1127-I1198 HydrophobicContact CG1-CD1 4Å; I1127-I1198 HydrophobicContact CG1-CG1 4.21Å; I1127-I1198 HydrophobicContact CG1-CG2 3.98Å; I1127-K1200 HydrophobicContact CB-CB 3.89Å; I1127-K1200 HydrophobicContact CB-CD 4.28Å; I1127-K1200 HydrophobicContact CD1-CB 4.06Å; I1127-K1200 HydrophobicContact CG2-CB 4.02Å; I1127-K1200 HydrophobicContact CG2-CD 3.84Å |
| 1128 | K | 86.5 | Confident | 74.9 | Confident | 110.6 Ų | 110.6 | 65.7 Ų | 65.7 | 48% | 0.481 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -56.3 | -180 | -90.6 | -179 | 177.2 | 179.3 | 0 | 111.3 | E1126 T1146 K1200 | E1126-K1128 HydrophobicContact CG-CG 4.22Å; E1126-K1128 WeakPolarHBondContact OE1-CE 3.34Å; E1126-K1128 VanDerWaalsContact OE1-CG 3.29Å; E1126-K1128 WeakPolarHBondContact OE1-CG 3.32Å; K1128-T1146 WeakPolarHBondContact CA-O 3.34Å; K1128-T1146 PolarHBondContact N-O 3.07Å; K1128-K1200 PolarHBondContact O-NZ 3.05Å |
| 1129 | D | 86.2 | Confident | 73.2 | Confident | 73.2 Ų | 73.2 | 67.9 Ų | 67.9 | 39% | 0.391 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 149.3 | -172.7 | -165.8 | 23.1 | 0 | 0 | 0 | 111.8 | V1131 I1145 T1146 | D1129-V1131 WeakPolarHBondContact OD2-CG2 3.15Å; D1129-I1145 CarbonylContact O-C 3.49Å; D1129-I1145 WeakPolarHBondContact O-CA 3.43Å; D1129-T1146 WeakPolarHBondContact CB-OG1 3.31Å; D1129-T1146 PolarHBondContact N-O 3.06Å; D1129-T1146 VanDerWaalsContact N-O 3.12Å; D1129-T1146 PolarHBondContact N-OG1 3.05Å; D1129-T1146 PolarHBondContact O-N 2.94Å; D1129-T1146 PolarHBondContact O-OG1 2.91Å |
| 1130 | I | 84.5 | Confident | 71.8 | Confident | 10.6 Ų | 10.6 | 66.8 Ų | 66.8 | 5% | 0.054 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 108.8 | -177.2 | -58 | 158.5 | 0 | 0 | 0 | 107.3 | I1127 I1143 R1144 I1145 F1159 I1189 K1200 E1202 F1204 | I1127-I1130 HydrophobicContact CG2-CD1 3.94Å; I1127-I1130 HydrophobicContact CG2-CG1 3.77Å; I1130-I1143 HydrophobicContact CG2-CG2 3.44Å; I1130-I1143 VanDerWaalsContact CG2-CG2 3.5Å; I1130-R1144 WeakPolarHBondContact CA-O 3.26Å; I1130-I1145 HydrophobicContact CG1-CG1 4.44Å; I1130-I1145 HydrophobicContact CG1-CG2 4.21Å; I1130-I1145 HydrophobicContact CG2-CG1 4.34Å; I1130-F1159 HydrophobicContact CG2-CE1 4.44Å; I1130-F1159 HydrophobicContact CG2-CZ 4.46Å; I1130-I1189 HydrophobicContact CD1-CB 4.07Å; I1130-I1189 HydrophobicContact CD1-CD1 3.45Å; I1130-I1189 VanDerWaalsContact CD1-CD1 3.45Å; I1130-I1189 HydrophobicContact CD1-CG1 3.64Å; I1130-I1189 HydrophobicContact CD1-CG2 4.45Å; I1130-K1200 HydrophobicContact CD1-CB 4.37Å; I1130-K1200 HydrophobicContact CD1-CD 4.08Å; I1130-K1200 HydrophobicContact CD1-CG 4.42Å; I1130-E1202 HydrophobicContact CB-CG 4.48Å; I1130-E1202 HydrophobicContact CD1-CB 4.2Å; I1130-F1204 HydrophobicContact CG2-CE1 4.32Å; I1130-F1204 HydrophobicContact CG2-CZ 4.07Å |
| 1131 | V | 78.7 | Confident | 70.7 | Confident | 53.2 Ų | 53.2 | 67.8 Ų | 67.8 | 32% | 0.322 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.3 | -174.5 | -170.6 | 0 | 0 | 0 | 0 | 109.9 | D1129 T1133 R1144 | D1129-V1131 WeakPolarHBondContact OD2-CG2 3.15Å; V1131-T1133 HydrophobicContact CB-CG2 4.21Å; V1131-T1133 HydrophobicContact CG1-CG2 4Å; V1131-T1133 PolarHBondContact O-N 3.27Å; V1131-T1133 PolarHBondContact O-OG1 3.48Å; V1131-R1144 PolarHBondContact N-O 3Å; V1131-R1144 PolarHBondContact O-N 3.18Å; V1131-R1144 VanDerWaalsContact O-N 3.07Å |
| 1132 | Q | 70.4 | Confident | 70.3 | Confident | 73.6 Ų | 73.6 | 69.7 Ų | 69.7 | 34% | 0.344 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 117.8 | 166.2 | -111.6 | -178.6 | -27.7 | 0 | 0 | 108.8 | G1134 E1141 I1143 F1204 | Q1132-G1134 VanDerWaalsContact C-N 3.32Å; Q1132-E1141 WeakPolarHBondContact CA-OE1 3.43Å; Q1132-E1141 WeakPolarHBondContact CB-OE1 3.4Å; Q1132-E1141 WeakPolarHBondContact CG-OE1 3.45Å; Q1132-E1141 PolarHBondContact NE2-OE1 3.24Å; Q1132-E1141 PolarHBondContact NE2-OE2 3.26Å; Q1132-I1143 HydrophobicContact CG-CD1 4.12Å; Q1132-F1204 HydrophobicContact CG-CD1 3.57Å; Q1132-F1204 HydrophobicContact CG-CE1 4.03Å |
| 1133 | T | 62.5 | Low | 70.6 | Confident | 50.2 Ų | 50.2 | 66.3 Ų | 66.3 | 31% | 0.308 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 25.5 | -173.7 | 43.4 | 0 | 0 | 0 | 0 | 112.7 | V1131 L1135 E1141 Y1142 R1144 | V1131-T1133 HydrophobicContact CB-CG2 4.21Å; V1131-T1133 HydrophobicContact CG1-CG2 4Å; V1131-T1133 PolarHBondContact O-N 3.27Å; V1131-T1133 PolarHBondContact O-OG1 3.48Å; T1133-L1135 PolarHBondContact O-N 3.36Å; T1133-L1135 WeakPolarHBondContact OG1-CB 3.4Å; T1133-L1135 PolarHBondContact OG1-N 3.07Å; T1133-E1141 PolarHBondContact N-OE1 3.48Å; T1133-Y1142 VanDerWaalsContact CB-CE2 3.49Å; T1133-Y1142 WeakPolarHBondContact CB-O 3.32Å; T1133-Y1142 HydrophobicContact CG2-CE2 4.49Å; T1133-Y1142 VanDerWaalsContact CG2-O 3.31Å; T1133-Y1142 WeakPolarHBondContact CG2-O 3.39Å; T1133-Y1142 PolarHBondContact N-O 3.15Å; T1133-Y1142 VanDerWaalsContact N-O 3.11Å; T1133-Y1142 WeakPolarHBondContact O-CD1 3.3Å; T1133-Y1142 WeakPolarHBondContact O-CE1 3.32Å; T1133-Y1142 WeakPolarHBondContact O-CE2 3.2Å; T1133-Y1142 PolarHBondContact O-OH 3.33Å; T1133-Y1142 VanDerWaalsContact O-OH 3.06Å; T1133-Y1142 WeakPolarHBondContact OG1-CB 3.3Å; T1133-Y1142 WeakPolarHBondContact OG1-CD2 3.29Å; T1133-Y1142 WeakPolarHBondContact OG1-CE2 3.45Å; T1133-Y1142 PolarHBondContact OG1-O 2.69Å; T1133-Y1142 VanDerWaalsContact OG1-O 3.07Å; T1133-R1144 HydrophobicContact CG2-CB 3.88Å; T1133-R1144 WeakPolarHBondContact OG1-CB 3.29Å |
| 1134 | G | 56.9 | Low | 71.2 | Confident | 35 Ų | 35 | 62.7 Ų | 62.7 | 36% | 0.361 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.7 | 165.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q1132 F1136 E1141 Y1142 | Q1132-G1134 VanDerWaalsContact C-N 3.32Å; G1134-F1136 WeakPolarHBondContact O-CD2 3.4Å; G1134-F1136 WeakPolarHBondContact O-CE2 3.48Å; G1134-E1141 PolarHBondContact N-OE1 2.95Å; G1134-E1141 VanDerWaalsContact N-OE1 3.08Å; G1134-E1141 VanDerWaalsContact O-CA 3.3Å; G1134-E1141 WeakPolarHBondContact O-CA 3.46Å; G1134-E1141 WeakPolarHBondContact O-CG 3.37Å; G1134-Y1142 WeakPolarHBondContact O-CD1 3.03Å; G1134-Y1142 WeakPolarHBondContact O-CE1 3.48Å; G1134-Y1142 PolarHBondContact O-N 3.11Å; G1134-Y1142 VanDerWaalsContact O-N 3.14Å |
| 1135 | L | 54 | Low | 71.8 | Confident | 84.6 Ų | 84.6 | 59.4 Ų | 59.4 | 44% | 0.443 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 140.4 | -175.8 | -66.9 | 161.9 | 0 | 0 | 0 | 111.9 | T1133 G1139 K1140 E1141 Y1142 I1180 Y1280 | T1133-L1135 PolarHBondContact O-N 3.36Å; T1133-L1135 WeakPolarHBondContact OG1-CB 3.4Å; T1133-L1135 PolarHBondContact OG1-N 3.07Å; L1135-G1139 WeakPolarHBondContact CD2-O 3.44Å; L1135-K1140 WeakPolarHBondContact CA-O 3.35Å; L1135-E1141 HydrophobicContact CD2-CB 3.9Å; L1135-E1141 HydrophobicContact CD2-CG 3.78Å; L1135-E1141 VanDerWaalsContact CD2-CG 3.48Å; L1135-E1141 HydrophobicContact CG-CG 4.17Å; L1135-E1141 WeakPolarHBondContact O-CA 3.22Å; L1135-Y1142 HydrophobicContact CB-CD2 3.89Å; L1135-Y1142 HydrophobicContact CB-CG 4.43Å; L1135-Y1142 WeakPolarHBondContact O-CD2 3.35Å; L1135-Y1142 PolarHBondContact O-N 2.95Å; L1135-I1180 HydrophobicContact CD1-CD1 4.33Å; L1135-I1180 HydrophobicContact CD2-CB 4.45Å; L1135-I1180 HydrophobicContact CD2-CD1 4.13Å; L1135-Y1280 HydrophobicContact CD1-CE1 3.66Å; L1135-Y1280 HydrophobicContact CD1-CE2 4.05Å; L1135-Y1280 WeakPolarHBondContact CD1-OH 3.43Å |
| 1136 | F | 51.6 | Low | 72.1 | Confident | 110.4 Ų | 110.4 | 59.6 Ų | 59.6 | 48% | 0.484 | 31% | 0.311 | S | S | . | . | trans | -105 | 162.8 | 168.6 | -101.6 | -87.6 | 0 | 0 | 0 | 111.6 | G1134 D1138 G1139 K1140 E1141 Y1142 I1167 I1180 V1285 | G1134-F1136 WeakPolarHBondContact O-CD2 3.4Å; G1134-F1136 WeakPolarHBondContact O-CE2 3.48Å; F1136-D1138 PolarHBondContact O-N 3.01Å; F1136-G1139 PolarHBondContact O-N 3.05Å; F1136-G1139 VanDerWaalsContact O-N 3.08Å; F1136-K1140 CarbonylContact C-O 3.44Å; F1136-K1140 WeakPolarHBondContact CA-O 3.32Å; F1136-K1140 PolarHBondContact N-O 3.06Å; F1136-E1141 HydrophobicContact CD1-CB 3.76Å; F1136-E1141 HydrophobicContact CD1-CG 3.86Å; F1136-E1141 HydrophobicContact CE1-CB 3.72Å; F1136-E1141 HydrophobicContact CE1-CG 3.57Å; F1136-E1141 HydrophobicContact CZ-CG 4.3Å; F1136-Y1142 HydrophobicContact CB-CD2 4.46Å; F1136-Y1142 HydrophobicContact CB-CE2 4.04Å; F1136-Y1142 AromaticContact CD2-CD1 3.36Å; F1136-Y1142 HydrophobicContact CD2-CD1 3.79Å; F1136-Y1142 AromaticContact CD2-CD2 3.91Å; F1136-Y1142 HydrophobicContact CD2-CD2 3.91Å; F1136-Y1142 HydrophobicContact CD2-CE1 4.12Å; F1136-Y1142 AromaticContact CD2-CE2 3.4Å; F1136-Y1142 HydrophobicContact CD2-CE2 3.4Å; F1136-Y1142 AromaticContact CD2-CG 3.89Å; F1136-Y1142 HydrophobicContact CD2-CG 3.89Å; F1136-Y1142 AromaticContact CE2-CD1 3.44Å; F1136-Y1142 HydrophobicContact CE2-CD1 3.44Å; F1136-Y1142 VanDerWaalsContact CE2-CD1 3.44Å; F1136-Y1142 HydrophobicContact CE2-CD2 4.27Å; F1136-Y1142 AromaticContact CE2-CE1 3.97Å; F1136-Y1142 HydrophobicContact CE2-CE1 3.97Å; F1136-Y1142 HydrophobicContact CE2-CE2 4.02Å; F1136-Y1142 AromaticContact CE2-CG 3.6Å; F1136-Y1142 HydrophobicContact CE2-CG 3.6Å; F1136-Y1142 HydrophobicContact CG-CD1 4.38Å; F1136-Y1142 AromaticContact CG-CE2 3.84Å; F1136-Y1142 HydrophobicContact CG-CE2 3.84Å; F1136-I1167 HydrophobicContact CD2-CD1 4.23Å; F1136-I1167 HydrophobicContact CE2-CD1 3.58Å; F1136-I1167 HydrophobicContact CZ-CD1 4.15Å; F1136-I1180 HydrophobicContact CD1-CD1 3.34Å; F1136-I1180 HydrophobicContact CD1-CG1 3.7Å; F1136-I1180 HydrophobicContact CE1-CD1 3.63Å; F1136-I1180 HydrophobicContact CE1-CG1 3.76Å; F1136-I1180 HydrophobicContact CG-CD1 4.21Å; F1136-V1285 HydrophobicContact CE2-CG2 4.5Å | ||
| 1137 | D | 52.2 | Low | 72.2 | Confident | 124.2 Ų | 124.2 | 55.5 Ų | 55.5 | 66% | 0.664 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 0.9 | -178 | -81.8 | -21.5 | 0 | 0 | 0 | 114.6 | G1139 K1140 Y1142 L1177 | D1137-G1139 PolarHBondContact O-N 3.01Å; D1137-K1140 PolarHBondContact N-O 2.96Å; D1137-K1140 WeakPolarHBondContact O-CA 3.48Å; D1137-K1140 VanDerWaalsContact O-CB 3.32Å; D1137-K1140 WeakPolarHBondContact O-CB 3.42Å; D1137-K1140 PolarHBondContact O-N 3.17Å; D1137-Y1142 HydrophobicContact CB-CE2 3.59Å; D1137-Y1142 PolarHBondContact OD2-OH 2.92Å; D1137-L1177 HydrophobicContact CB-CD1 4.24Å; D1137-L1177 HydrophobicContact CB-CD2 4.06Å |
| 1138 | D | 54.2 | Low | 72.2 | Confident | 97.8 Ų | 97.8 | 54.8 Ų | 54.8 | 52% | 0.523 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 19.5 | 178.2 | 91.5 | -12.1 | 0 | 0 | 0 | 114.2 | F1136 K1140 | F1136-D1138 PolarHBondContact O-N 3.01Å; D1138-K1140 VanDerWaalsContact C-N 3.33Å; D1138-K1140 PolarHBondContact O-N 3.45Å; D1138-K1140 VanDerWaalsContact O-N 3.16Å; D1138-K1140 WeakPolarHBondContact OD1-CB 3.32Å; D1138-K1140 PolarHBondContact OD1-N 2.97Å; D1138-K1140 VanDerWaalsContact OD1-N 3.12Å; D1138-K1140 WeakPolarHBondContact OD2-CD 3.25Å; D1138-K1140 WeakPolarHBondContact OD2-CE 3.3Å; D1138-K1140 IonicContact OD2-NZ 3.28Å; D1138-K1140 PolarHBondContact OD2-NZ 2.97Å |
| 1139 | G | 54 | Low | 72.2 | Confident | 45.4 Ų | 45.4 | 49.6 Ų | 49.6 | 47% | 0.468 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 74.3 | 11.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1135 F1136 D1137 I1180 | L1135-G1139 WeakPolarHBondContact CD2-O 3.44Å; F1136-G1139 PolarHBondContact O-N 3.05Å; F1136-G1139 VanDerWaalsContact O-N 3.08Å; D1137-G1139 PolarHBondContact O-N 3.01Å; G1139-I1180 VanDerWaalsContact O-CG1 3.3Å; G1139-I1180 WeakPolarHBondContact O-CG1 3.47Å; G1139-I1180 PolarHBondContact O-N 2.98Å |
| 1140 | K | 57.9 | Low | 72.4 | Confident | 86.8 Ų | 86.8 | 46.2 Ų | 46.2 | 38% | 0.377 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 142.5 | 176.1 | -60.2 | 177.8 | -168.5 | 121 | 0 | 111.1 | L1135 F1136 D1137 D1138 L1177 L1178 P1179 | L1135-K1140 WeakPolarHBondContact CA-O 3.35Å; F1136-K1140 CarbonylContact C-O 3.44Å; F1136-K1140 WeakPolarHBondContact CA-O 3.32Å; F1136-K1140 PolarHBondContact N-O 3.06Å; D1137-K1140 PolarHBondContact N-O 2.96Å; D1137-K1140 WeakPolarHBondContact O-CA 3.48Å; D1137-K1140 VanDerWaalsContact O-CB 3.32Å; D1137-K1140 WeakPolarHBondContact O-CB 3.42Å; D1137-K1140 PolarHBondContact O-N 3.17Å; D1138-K1140 VanDerWaalsContact C-N 3.33Å; D1138-K1140 PolarHBondContact O-N 3.45Å; D1138-K1140 VanDerWaalsContact O-N 3.16Å; D1138-K1140 WeakPolarHBondContact OD1-CB 3.32Å; D1138-K1140 PolarHBondContact OD1-N 2.97Å; D1138-K1140 VanDerWaalsContact OD1-N 3.12Å; D1138-K1140 WeakPolarHBondContact OD2-CD 3.25Å; D1138-K1140 WeakPolarHBondContact OD2-CE 3.3Å; D1138-K1140 IonicContact OD2-NZ 3.28Å; D1138-K1140 PolarHBondContact OD2-NZ 2.97Å; K1140-L1177 HydrophobicContact CB-CB 4.23Å; K1140-L1177 HydrophobicContact CB-CD2 3.91Å; K1140-L1177 HydrophobicContact CD-CD1 4.28Å; K1140-L1177 HydrophobicContact CD-CD2 4.15Å; K1140-L1177 HydrophobicContact CG-CD2 4.37Å; K1140-L1178 CarbonylContact C-O 3.56Å; K1140-L1178 WeakPolarHBondContact CA-O 3.41Å; K1140-L1178 WeakPolarHBondContact CB-O 3.36Å; K1140-P1179 HydrophobicContact CG-CB 4.29Å; K1140-P1179 HydrophobicContact CG-CG 4.09Å |
| 1141 | E | 63.7 | Low | 72.5 | Confident | 24 Ų | 24 | 45.7 Ų | 45.7 | 11% | 0.112 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 143.2 | 174.9 | -112.8 | 175.1 | 161.9 | 0 | 0 | 110.4 | Q1132 T1133 G1134 L1135 F1136 I1143 L1177 L1178 I1180 L1183 | Q1132-E1141 WeakPolarHBondContact CA-OE1 3.43Å; Q1132-E1141 WeakPolarHBondContact CB-OE1 3.4Å; Q1132-E1141 WeakPolarHBondContact CG-OE1 3.45Å; Q1132-E1141 PolarHBondContact NE2-OE1 3.24Å; Q1132-E1141 PolarHBondContact NE2-OE2 3.26Å; T1133-E1141 PolarHBondContact N-OE1 3.48Å; G1134-E1141 PolarHBondContact N-OE1 2.95Å; G1134-E1141 VanDerWaalsContact N-OE1 3.08Å; G1134-E1141 VanDerWaalsContact O-CA 3.3Å; G1134-E1141 WeakPolarHBondContact O-CA 3.46Å; G1134-E1141 WeakPolarHBondContact O-CG 3.37Å; L1135-E1141 HydrophobicContact CD2-CB 3.9Å; L1135-E1141 HydrophobicContact CD2-CG 3.78Å; L1135-E1141 VanDerWaalsContact CD2-CG 3.48Å; L1135-E1141 HydrophobicContact CG-CG 4.17Å; L1135-E1141 WeakPolarHBondContact O-CA 3.22Å; F1136-E1141 HydrophobicContact CD1-CB 3.76Å; F1136-E1141 HydrophobicContact CD1-CG 3.86Å; F1136-E1141 HydrophobicContact CE1-CB 3.72Å; F1136-E1141 HydrophobicContact CE1-CG 3.57Å; F1136-E1141 HydrophobicContact CZ-CG 4.3Å; E1141-I1143 HydrophobicContact CB-CD1 4.29Å; E1141-I1143 HydrophobicContact CG-CD1 4.14Å; E1141-I1143 PolarHBondContact O-N 2.61Å; E1141-L1177 WeakPolarHBondContact O-CA 3.48Å; E1141-L1177 VanDerWaalsContact O-CD2 3.25Å; E1141-L1177 WeakPolarHBondContact O-CD2 3.4Å; E1141-L1178 PolarHBondContact N-O 2.98Å; E1141-L1178 PolarHBondContact O-N 3.09Å; E1141-I1180 HydrophobicContact CB-CG1 4.38Å; E1141-I1180 VanDerWaalsContact CD-CD1 3.45Å; E1141-I1180 WeakPolarHBondContact OE1-CD1 3.41Å; E1141-I1180 WeakPolarHBondContact OE2-CD1 3.33Å; E1141-I1180 WeakPolarHBondContact OE2-CG1 3.35Å; E1141-L1183 HydrophobicContact CB-CD1 4Å; E1141-L1183 WeakPolarHBondContact OE2-CD1 3.41Å |
| 1142 | Y | 72.8 | Confident | 72.7 | Confident | 63.8 Ų | 63.8 | 44.6 Ų | 44.6 | 25% | 0.25 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 136.5 | 170.1 | 27.9 | -91.9 | 0 | 0 | 0 | 110.7 | T1133 G1134 L1135 F1136 D1137 R1144 I1167 Y1175 C1176 L1177 | T1133-Y1142 VanDerWaalsContact CB-CE2 3.49Å; T1133-Y1142 WeakPolarHBondContact CB-O 3.32Å; T1133-Y1142 HydrophobicContact CG2-CE2 4.49Å; T1133-Y1142 VanDerWaalsContact CG2-O 3.31Å; T1133-Y1142 WeakPolarHBondContact CG2-O 3.39Å; T1133-Y1142 PolarHBondContact N-O 3.15Å; T1133-Y1142 VanDerWaalsContact N-O 3.11Å; T1133-Y1142 WeakPolarHBondContact O-CD1 3.3Å; T1133-Y1142 WeakPolarHBondContact O-CE1 3.32Å; T1133-Y1142 WeakPolarHBondContact O-CE2 3.2Å; T1133-Y1142 PolarHBondContact O-OH 3.33Å; T1133-Y1142 VanDerWaalsContact O-OH 3.06Å; T1133-Y1142 WeakPolarHBondContact OG1-CB 3.3Å; T1133-Y1142 WeakPolarHBondContact OG1-CD2 3.29Å; T1133-Y1142 WeakPolarHBondContact OG1-CE2 3.45Å; T1133-Y1142 PolarHBondContact OG1-O 2.69Å; T1133-Y1142 VanDerWaalsContact OG1-O 3.07Å; G1134-Y1142 WeakPolarHBondContact O-CD1 3.03Å; G1134-Y1142 WeakPolarHBondContact O-CE1 3.48Å; G1134-Y1142 PolarHBondContact O-N 3.11Å; G1134-Y1142 VanDerWaalsContact O-N 3.14Å; L1135-Y1142 HydrophobicContact CB-CD2 3.89Å; L1135-Y1142 HydrophobicContact CB-CG 4.43Å; L1135-Y1142 WeakPolarHBondContact O-CD2 3.35Å; L1135-Y1142 PolarHBondContact O-N 2.95Å; F1136-Y1142 HydrophobicContact CB-CD2 4.46Å; F1136-Y1142 HydrophobicContact CB-CE2 4.04Å; F1136-Y1142 AromaticContact CD2-CD1 3.36Å; F1136-Y1142 HydrophobicContact CD2-CD1 3.79Å; F1136-Y1142 AromaticContact CD2-CD2 3.91Å; F1136-Y1142 HydrophobicContact CD2-CD2 3.91Å; F1136-Y1142 HydrophobicContact CD2-CE1 4.12Å; F1136-Y1142 AromaticContact CD2-CE2 3.4Å; F1136-Y1142 HydrophobicContact CD2-CE2 3.4Å; F1136-Y1142 AromaticContact CD2-CG 3.89Å; F1136-Y1142 HydrophobicContact CD2-CG 3.89Å; F1136-Y1142 AromaticContact CE2-CD1 3.44Å; F1136-Y1142 HydrophobicContact CE2-CD1 3.44Å; F1136-Y1142 VanDerWaalsContact CE2-CD1 3.44Å; F1136-Y1142 HydrophobicContact CE2-CD2 4.27Å; F1136-Y1142 AromaticContact CE2-CE1 3.97Å; F1136-Y1142 HydrophobicContact CE2-CE1 3.97Å; F1136-Y1142 HydrophobicContact CE2-CE2 4.02Å; F1136-Y1142 AromaticContact CE2-CG 3.6Å; F1136-Y1142 HydrophobicContact CE2-CG 3.6Å; F1136-Y1142 HydrophobicContact CG-CD1 4.38Å; F1136-Y1142 AromaticContact CG-CE2 3.84Å; F1136-Y1142 HydrophobicContact CG-CE2 3.84Å; D1137-Y1142 HydrophobicContact CB-CE2 3.59Å; D1137-Y1142 PolarHBondContact OD2-OH 2.92Å; Y1142-R1144 HydrophobicContact CE2-CB 4.4Å; Y1142-I1167 HydrophobicContact CD1-CD1 3.42Å; Y1142-I1167 VanDerWaalsContact CD1-CD1 3.42Å; Y1142-I1167 HydrophobicContact CD1-CG1 4.39Å; Y1142-I1167 HydrophobicContact CE1-CD1 3Å; Y1142-I1167 HydrophobicContact CE1-CG1 4.14Å; Y1142-I1167 HydrophobicContact CE1-CG2 4.44Å; Y1142-I1167 HydrophobicContact CE2-CD1 4.31Å; Y1142-I1167 HydrophobicContact CG-CD1 4.26Å; Y1142-I1167 VanDerWaalsContact CZ-CD1 3.49Å; Y1142-Y1175 AromaticContact CD2-CD1 3.89Å; Y1142-Y1175 HydrophobicContact CD2-CD1 4.05Å; Y1142-Y1175 HydrophobicContact CD2-CE1 4.29Å; Y1142-Y1175 AromaticContact CE2-CD1 3.81Å; Y1142-Y1175 HydrophobicContact CE2-CD1 3.92Å; Y1142-Y1175 HydrophobicContact CE2-CE1 4.1Å; Y1142-C1176 CarbonylContact C-O 3.5Å; Y1142-C1176 VanDerWaalsContact CA-O 3.27Å; Y1142-C1176 WeakPolarHBondContact CA-O 3.31Å; Y1142-L1177 HydrophobicContact CD1-CD2 3.82Å; Y1142-L1177 HydrophobicContact CD1-CG 4.1Å; Y1142-L1177 HydrophobicContact CD2-CD2 3.86Å; Y1142-L1177 HydrophobicContact CD2-CG 4.41Å; Y1142-L1177 HydrophobicContact CE1-CD1 4.28Å; Y1142-L1177 HydrophobicContact CE1-CD2 3.89Å; Y1142-L1177 HydrophobicContact CE1-CG 3.97Å; Y1142-L1177 HydrophobicContact CE2-CD1 4.37Å; Y1142-L1177 HydrophobicContact CE2-CD2 3.88Å; Y1142-L1177 HydrophobicContact CE2-CG 4.31Å; Y1142-L1177 HydrophobicContact CG-CD2 3.65Å; Y1142-L1177 HydrophobicContact CG-CG 4.42Å |
| 1143 | I | 83.3 | Confident | 73.1 | Confident | 0.6 Ų | 0.6 | 47.4 Ų | 47.4 | 0% | 0.003 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127 | 176.9 | -52.5 | -174.7 | 0 | 0 | 0 | 108.3 | I1130 Q1132 E1141 I1145 F1159 Y1175 C1176 L1178 L1183 | I1130-I1143 HydrophobicContact CG2-CG2 3.44Å; I1130-I1143 VanDerWaalsContact CG2-CG2 3.5Å; Q1132-I1143 HydrophobicContact CG-CD1 4.12Å; E1141-I1143 HydrophobicContact CB-CD1 4.29Å; E1141-I1143 HydrophobicContact CG-CD1 4.14Å; E1141-I1143 PolarHBondContact O-N 2.61Å; I1143-I1145 HydrophobicContact CG2-CG1 4.13Å; I1143-F1159 HydrophobicContact CB-CZ 4.36Å; I1143-F1159 HydrophobicContact CD1-CD1 4.32Å; I1143-F1159 HydrophobicContact CD1-CD2 4.48Å; I1143-F1159 HydrophobicContact CD1-CE1 3.66Å; I1143-F1159 VanDerWaalsContact CD1-CE1 3.48Å; I1143-F1159 HydrophobicContact CD1-CE2 3.85Å; I1143-F1159 HydrophobicContact CD1-CZ 3.35Å; I1143-F1159 VanDerWaalsContact CD1-CZ 3.45Å; I1143-F1159 HydrophobicContact CG1-CZ 4.39Å; I1143-F1159 HydrophobicContact CG2-CE1 4.42Å; I1143-F1159 HydrophobicContact CG2-CZ 3.96Å; I1143-Y1175 WeakPolarHBondContact O-CA 3.38Å; I1143-C1176 PolarHBondContact N-O 3.07Å; I1143-C1176 PolarHBondContact O-N 2.96Å; I1143-C1176 VanDerWaalsContact O-N 3.09Å; I1143-L1178 HydrophobicContact CD1-CB 3.8Å; I1143-L1178 HydrophobicContact CD1-CD2 4.22Å; I1143-L1178 HydrophobicContact CG1-CB 4.37Å; I1143-L1183 HydrophobicContact CD1-CD1 4.18Å; I1143-L1183 HydrophobicContact CD1-CD2 3.8Å; I1143-L1183 HydrophobicContact CD1-CG 4.36Å; I1143-L1183 HydrophobicContact CG1-CD1 4.42Å; I1143-L1183 HydrophobicContact CG1-CD2 4.42Å |
| 1144 | R | 86.9 | Confident | 74 | Confident | 77 Ų | 77 | 47.2 Ų | 47.2 | 29% | 0.291 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 114.2 | 171.2 | 179.9 | 176.3 | 171.7 | -117 | 3.5 | 109 | I1130 V1131 T1133 Y1142 T1146 E1173 I1174 Y1175 | I1130-R1144 WeakPolarHBondContact CA-O 3.26Å; V1131-R1144 PolarHBondContact N-O 3Å; V1131-R1144 PolarHBondContact O-N 3.18Å; V1131-R1144 VanDerWaalsContact O-N 3.07Å; T1133-R1144 HydrophobicContact CG2-CB 3.88Å; T1133-R1144 WeakPolarHBondContact OG1-CB 3.29Å; Y1142-R1144 HydrophobicContact CE2-CB 4.4Å; R1144-T1146 HydrophobicContact CG-CG2 4.26Å; R1144-T1146 VanDerWaalsContact NH1-CG2 3.32Å; R1144-E1173 IonicContact CZ-OE1 3.13Å; R1144-E1173 IonicContact CZ-OE2 2.67Å; R1144-E1173 IonicContact NE-OE1 2.91Å; R1144-E1173 PolarHBondContact NE-OE1 3.13Å; R1144-E1173 IonicContact NE-OE2 2.98Å; R1144-E1173 PolarHBondContact NE-OE2 3.42Å; R1144-E1173 IonicContact NH2-OE1 3.31Å; R1144-E1173 PolarHBondContact NH2-OE1 2.88Å; R1144-E1173 IonicContact NH2-OE2 2.94Å; R1144-I1174 WeakPolarHBondContact CA-O 3.21Å; R1144-Y1175 HydrophobicContact CB-CD1 4.31Å; R1144-Y1175 HydrophobicContact CB-CE1 4.07Å; R1144-Y1175 VanDerWaalsContact CD-OH 3.27Å; R1144-Y1175 WeakPolarHBondContact CD-OH 3.36Å; R1144-Y1175 HydrophobicContact CG-CD1 4.41Å; R1144-Y1175 HydrophobicContact CG-CE1 3.91Å; R1144-Y1175 HydrophobicContact CG-CE2 4.32Å; R1144-Y1175 PolarHBondContact NE-OH 3.1Å; R1144-Y1175 VanDerWaalsContact NE-OH 3.15Å |
| 1145 | I | 90.3 | Very high | 75.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 119.9 | 174.4 | -52.1 | 172.6 | 0 | 0 | 0 | 107.7 | I1127 D1129 I1130 I1143 F1150 V1157 F1159 E1173 I1174 I1189 I1191 | I1127-I1145 HydrophobicContact CB-CG2 4.45Å; I1127-I1145 HydrophobicContact CG1-CG2 4.37Å; I1127-I1145 HydrophobicContact CG2-CG2 3.67Å; D1129-I1145 CarbonylContact O-C 3.49Å; D1129-I1145 WeakPolarHBondContact O-CA 3.43Å; I1130-I1145 HydrophobicContact CG1-CG1 4.44Å; I1130-I1145 HydrophobicContact CG1-CG2 4.21Å; I1130-I1145 HydrophobicContact CG2-CG1 4.34Å; I1143-I1145 HydrophobicContact CG2-CG1 4.13Å; I1145-F1150 HydrophobicContact CG2-CZ 4.37Å; I1145-V1157 HydrophobicContact CD1-CG1 3.58Å; I1145-F1159 HydrophobicContact CD1-CE2 4.31Å; I1145-F1159 HydrophobicContact CD1-CZ 4.23Å; I1145-E1173 CarbonylContact O-C 3.52Å; I1145-E1173 VanDerWaalsContact O-CA 3.31Å; I1145-E1173 WeakPolarHBondContact O-CA 3.33Å; I1145-I1174 HydrophobicContact CB-CB 4.21Å; I1145-I1174 PolarHBondContact N-O 2.99Å; I1145-I1174 PolarHBondContact O-N 3.13Å; I1145-I1189 HydrophobicContact CD1-CG2 4.16Å; I1145-I1191 HydrophobicContact CG2-CD1 4.25Å |
| 1146 | T | 89.5 | Confident | 77.1 | Confident | 23.6 Ų | 23.6 | 47.4 Ų | 47.4 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 145.5 | 172.3 | 67.2 | 0 | 0 | 0 | 0 | 109.9 | K1128 D1129 R1144 I1172 E1173 | K1128-T1146 WeakPolarHBondContact CA-O 3.34Å; K1128-T1146 PolarHBondContact N-O 3.07Å; D1129-T1146 WeakPolarHBondContact CB-OG1 3.31Å; D1129-T1146 PolarHBondContact N-O 3.06Å; D1129-T1146 VanDerWaalsContact N-O 3.12Å; D1129-T1146 PolarHBondContact N-OG1 3.05Å; D1129-T1146 PolarHBondContact O-N 2.94Å; D1129-T1146 PolarHBondContact O-OG1 2.91Å; R1144-T1146 HydrophobicContact CG-CG2 4.26Å; R1144-T1146 VanDerWaalsContact NH1-CG2 3.32Å; T1146-I1172 CarbonylContact C-O 3.44Å; T1146-I1172 WeakPolarHBondContact CA-O 3.31Å; T1146-E1173 HydrophobicContact CG2-CG 4.28Å |
| 1147 | G | 90.4 | Very high | 78.9 | Confident | 6.8 Ų | 6.8 | 42.4 Ų | 42.4 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.8 | -148 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E1126 I1172 | E1126-G1147 CarbonylContact O-C 3.4Å; E1126-G1147 WeakPolarHBondContact O-CA 3.45Å; G1147-I1172 PolarHBondContact N-O 3.12Å; G1147-I1172 WeakPolarHBondContact O-CA 3.34Å |
| 1148 | S | 88.9 | Confident | 80.7 | Confident | 0.2 Ų | 0.2 | 37.6 Ų | 37.6 | 0% | 0.001 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -146.3 | 148.5 | -178.2 | 55.3 | 0 | 0 | 0 | 0 | 112.4 | N1093 S1124 S1125 E1126 F1150 T1171 | N1093-S1148 VanDerWaalsContact OD1-CB 3.28Å; N1093-S1148 WeakPolarHBondContact OD1-CB 3.38Å; S1124-S1148 PolarHBondContact O-OG 2.96Å; S1125-S1148 WeakPolarHBondContact CA-O 3.47Å; S1125-S1148 PolarHBondContact OG-O 3.03Å; S1125-S1148 VanDerWaalsContact OG-O 3.05Å; E1126-S1148 VanDerWaalsContact CG-OG 3.28Å; E1126-S1148 WeakPolarHBondContact CG-OG 3.33Å; E1126-S1148 PolarHBondContact N-OG 3.14Å; E1126-S1148 VanDerWaalsContact N-OG 3.17Å; E1126-S1148 PolarHBondContact O-N 2.93Å; E1126-S1148 VanDerWaalsContact O-N 3.09Å; S1148-F1150 VanDerWaalsContact C-N 3.3Å; S1148-F1150 VanDerWaalsContact O-CD1 3.27Å; S1148-F1150 WeakPolarHBondContact O-CD1 3.4Å; S1148-F1150 PolarHBondContact O-N 3.25Å; S1148-T1171 CarbonylContact C-O 3.49Å; S1148-T1171 VanDerWaalsContact C-O 3.25Å |
| 1149 | R | 87.5 | Confident | 82.3 | Confident | 1.4 Ų | 1.4 | 33 Ų | 33 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | trans | 60.3 | 26.8 | 172.3 | -46.3 | -164.6 | 66.5 | -179.2 | -4.9 | 115.8 | V1092 N1093 I1095 P1096 S1097 L1120 G1121 E1123 S1125 T1171 Q1193 | V1092-R1149 VanDerWaalsContact CG2-CZ 3.49Å; V1092-R1149 VanDerWaalsContact CG2-NH1 3.27Å; V1092-R1149 WeakPolarHBondContact O-CD 3.22Å; V1092-R1149 WeakPolarHBondContact O-CG 3.37Å; V1092-R1149 PolarHBondContact O-NE 3.28Å; N1093-R1149 PolarHBondContact O-N 3.22Å; I1095-R1149 WeakPolarHBondContact O-CA 3.49Å; I1095-R1149 VanDerWaalsContact O-CB 3.23Å; I1095-R1149 WeakPolarHBondContact O-CB 3.31Å; I1095-R1149 WeakPolarHBondContact O-CG 3.39Å; I1095-R1149 PolarHBondContact O-NE 3.16Å; P1096-R1149 WeakPolarHBondContact CA-O 3.42Å; P1096-R1149 PolarHBondContact O-NH2 3.15Å; S1097-R1149 PolarHBondContact N-O 3.15Å; S1097-R1149 PolarHBondContact OG-O 3.03Å; S1097-R1149 VanDerWaalsContact OG-O 3.1Å; L1120-R1149 PolarHBondContact O-NH1 2.79Å; L1120-R1149 PolarHBondContact O-NH2 3.09Å; G1121-R1149 PolarHBondContact O-NH1 2.77Å; G1121-R1149 PolarHBondContact O-NH2 3.4Å; E1123-R1149 VanDerWaalsContact O-CD 3.3Å; E1123-R1149 WeakPolarHBondContact O-CD 3.39Å; E1123-R1149 PolarHBondContact O-NH1 2.99Å; S1125-R1149 PolarHBondContact OG-O 3.07Å; R1149-T1171 PolarHBondContact N-O 3.07Å; R1149-Q1193 PolarHBondContact O-NE2 2.95Å; R1149-Q1193 PolarHBondContact O-OE1 2.9Å | ||
| 1150 | F | 89.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -62.2 | 144.9 | 174 | -59.2 | -30 | 0 | 0 | 0 | 111.3 | E1126 I1145 S1148 P1152 M1169 T1170 T1171 I1174 I1191 Q1193 I1198 | E1126-F1150 WeakPolarHBondContact O-CE1 3.39Å; I1145-F1150 HydrophobicContact CG2-CZ 4.37Å; S1148-F1150 VanDerWaalsContact C-N 3.3Å; S1148-F1150 VanDerWaalsContact O-CD1 3.27Å; S1148-F1150 WeakPolarHBondContact O-CD1 3.4Å; S1148-F1150 PolarHBondContact O-N 3.25Å; F1150-P1152 VanDerWaalsContact O-CD 3.28Å; F1150-P1152 WeakPolarHBondContact O-CD 3.25Å; F1150-M1169 HydrophobicContact CB-CE 3.55Å; F1150-M1169 HydrophobicContact CB-CG 4.49Å; F1150-M1169 HydrophobicContact CB-SD 4.42Å; F1150-M1169 HydrophobicContact CD2-CE 4.41Å; F1150-M1169 HydrophobicContact CG-CE 4.01Å; F1150-T1170 VanDerWaalsContact CB-O 3.29Å; F1150-T1170 WeakPolarHBondContact CB-O 3.35Å; F1150-T1171 PolarHBondContact N-O 3.02Å; F1150-T1171 VanDerWaalsContact N-O 3.07Å; F1150-T1171 WeakPolarHBondContact O-CA 3.29Å; F1150-T1171 WeakPolarHBondContact O-CG2 3.22Å; F1150-I1174 HydrophobicContact CD1-CD1 4.22Å; F1150-I1174 HydrophobicContact CD2-CD1 3.82Å; F1150-I1174 HydrophobicContact CD2-CG1 3.59Å; F1150-I1174 VanDerWaalsContact CD2-CG1 3.49Å; F1150-I1174 HydrophobicContact CE1-CD1 4.25Å; F1150-I1174 HydrophobicContact CE2-CD1 3.82Å; F1150-I1174 HydrophobicContact CE2-CG1 3.67Å; F1150-I1174 HydrophobicContact CG-CD1 4.12Å; F1150-I1174 HydrophobicContact CG-CG1 4.29Å; F1150-I1174 HydrophobicContact CZ-CD1 4.11Å; F1150-I1174 HydrophobicContact CZ-CG1 4.41Å; F1150-I1191 HydrophobicContact CD1-CD1 4.13Å; F1150-I1191 HydrophobicContact CD1-CG2 4.47Å; F1150-I1191 HydrophobicContact CE1-CD1 3.44Å; F1150-I1191 VanDerWaalsContact CE1-CD1 3.42Å; F1150-I1191 HydrophobicContact CE2-CD1 4.41Å; F1150-I1191 HydrophobicContact CZ-CD1 3.69Å; F1150-Q1193 VanDerWaalsContact CA-OE1 3.3Å; F1150-I1198 HydrophobicContact CD1-CD1 4.11Å; F1150-I1198 HydrophobicContact CE1-CD1 3.9Å | ||
| 1151 | L | 86.9 | Confident | 84.9 | Confident | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | trans | -93 | 104.7 | 174.1 | -176.3 | 68.4 | 0 | 0 | 0 | 109.9 | F1067 V1072 P1096 L1100 H1154 S1155 M1169 Q1193 H1194 | F1067-L1151 HydrophobicContact CD1-CD2 4.28Å; F1067-L1151 HydrophobicContact CD2-CD2 4.31Å; F1067-L1151 HydrophobicContact CE1-CD2 4.24Å; F1067-L1151 HydrophobicContact CE2-CD2 4.19Å; F1067-L1151 HydrophobicContact CG-CD2 4.31Å; F1067-L1151 HydrophobicContact CZ-CD2 4.23Å; V1072-L1151 HydrophobicContact CG1-CD1 3.91Å; V1072-L1151 HydrophobicContact CG2-CD1 4.4Å; P1096-L1151 HydrophobicContact CB-CD1 3.85Å; P1096-L1151 HydrophobicContact CG-CD1 4.34Å; L1100-L1151 HydrophobicContact CD2-CD1 4.22Å; L1151-H1154 HydrophobicContact CD2-CB 3.63Å; L1151-H1154 VanDerWaalsContact CD2-CB 3.46Å; L1151-H1154 HydrophobicContact CG-CB 3.98Å; L1151-H1154 PolarHBondContact O-N 2.8Å; L1151-S1155 WeakPolarHBondContact CB-OG 3.39Å; L1151-S1155 PolarHBondContact N-OG 2.94Å; L1151-S1155 PolarHBondContact O-N 2.94Å; L1151-S1155 PolarHBondContact O-OG 2.95Å; L1151-M1169 VanDerWaalsContact O-SD 3.38Å; L1151-Q1193 HydrophobicContact CB-CB 4.34Å; L1151-Q1193 VanDerWaalsContact N-OE1 3.12Å; L1151-H1194 VanDerWaalsContact CD2-CE1 3.43Å; L1151-H1194 WeakPolarHBondContact CD2-CE1 3.37Å | ||
| 1152 | P | 83.4 | Confident | 85.9 | Confident | 29.4 Ų | 29.4 | 36.5 Ų | 36.5 | 19% | 0.191 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 142.2 | -176.2 | -23.7 | 35.9 | 0 | 0 | 0 | 112.2 | F1150 H1154 T1171 | F1150-P1152 VanDerWaalsContact O-CD 3.28Å; F1150-P1152 WeakPolarHBondContact O-CD 3.25Å; P1152-H1154 PolarHBondContact O-CD2 3.12Å; P1152-H1154 VanDerWaalsContact O-CD2 3.26Å; P1152-H1154 PolarHBondContact O-N 2.93Å; P1152-T1171 HydrophobicContact CG-CG2 4.03Å |
| 1153 | N | 79.1 | Confident | 86.6 | Confident | 132 Ų | 132 | 38.4 Ų | 38.4 | 71% | 0.706 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | -5.8 | 178.1 | -57.5 | -23.3 | 0 | 0 | 0 | 117.3 | ||
| 1154 | H | 82 | Confident | 86.8 | Confident | 46.4 Ų | 46.4 | 38.7 Ų | 38.7 | 22% | 0.215 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -125.2 | 13.2 | -177.2 | -55.7 | -67.8 | 0 | 0 | 0 | 113.9 | F1067 E1070 L1151 P1152 | F1067-H1154 HydrophobicContact CD1-CB 3.94Å; F1067-H1154 AromaticContact CD1-CD2 3.72Å; F1067-H1154 AromaticContact CD1-CE1 3.87Å; F1067-H1154 AromaticContact CD1-CG 3.53Å; F1067-H1154 VanDerWaalsContact CD1-CG 3.5Å; F1067-H1154 AromaticContact CD1-ND1 3.69Å; F1067-H1154 AromaticContact CD1-NE2 3.93Å; F1067-H1154 HydrophobicContact CE1-CB 3.91Å; F1067-H1154 AromaticContact CE1-CG 3.93Å; F1067-H1154 AromaticContact CE1-ND1 3.97Å; E1070-H1154 IonicContact OE2-CE1 3.08Å; E1070-H1154 PolarHBondContact OE2-CE1 3.02Å; E1070-H1154 VanDerWaalsContact OE2-CE1 3.26Å; E1070-H1154 IonicContact OE2-NE2 2.96Å; L1151-H1154 HydrophobicContact CD2-CB 3.63Å; L1151-H1154 VanDerWaalsContact CD2-CB 3.46Å; L1151-H1154 HydrophobicContact CG-CB 3.98Å; L1151-H1154 PolarHBondContact O-N 2.8Å; P1152-H1154 PolarHBondContact O-CD2 3.12Å; P1152-H1154 VanDerWaalsContact O-CD2 3.26Å; P1152-H1154 PolarHBondContact O-N 2.93Å |
| 1155 | S | 86.2 | Confident | 86.7 | Confident | 5.8 Ų | 5.8 | 42.3 Ų | 42.3 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 150.9 | 175 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | L1151 I1166 M1169 Q1192 Q1193 | L1151-S1155 WeakPolarHBondContact CB-OG 3.39Å; L1151-S1155 PolarHBondContact N-OG 2.94Å; L1151-S1155 PolarHBondContact O-N 2.94Å; L1151-S1155 PolarHBondContact O-OG 2.95Å; S1155-I1166 VanDerWaalsContact O-CD1 3.27Å; S1155-I1166 WeakPolarHBondContact O-CD1 3.38Å; S1155-M1169 VanDerWaalsContact OG-CE 3.23Å; S1155-M1169 WeakPolarHBondContact OG-CE 3.28Å; S1155-Q1192 CarbonylContact C-O 3.54Å; S1155-Q1192 VanDerWaalsContact CA-O 3.28Å; S1155-Q1192 WeakPolarHBondContact CA-O 3.31Å; S1155-Q1193 WeakPolarHBondContact OG-CB 3.27Å; S1155-Q1193 VanDerWaalsContact OG-CG 3.29Å; S1155-Q1193 WeakPolarHBondContact OG-CG 3.44Å; S1155-Q1193 PolarHBondContact OG-OE1 3.42Å |
| 1156 | L | 88 | Confident | 86.5 | Confident | 117.8 Ų | 117.8 | 44.9 Ų | 44.9 | 62% | 0.617 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 137.6 | 174.6 | -65.2 | 169.1 | 0 | 0 | 0 | 109.8 | I1191 Q1192 | L1156-I1191 CarbonylContact O-C 3.56Å; L1156-I1191 VanDerWaalsContact O-CA 3.29Å; L1156-I1191 WeakPolarHBondContact O-CA 3.4Å; L1156-Q1192 HydrophobicContact CB-CB 4.39Å; L1156-Q1192 PolarHBondContact N-O 3.02Å; L1156-Q1192 PolarHBondContact O-N 3.08Å |
| 1157 | V | 91 | Very high | 86.3 | Confident | 5.2 Ų | 5.2 | 48.1 Ų | 48.1 | 3% | 0.032 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.4 | 178.2 | -177.7 | 0 | 0 | 0 | 0 | 109.5 | I1145 F1159 P1163 C1164 I1166 M1169 I1174 I1189 K1190 I1191 | I1145-V1157 HydrophobicContact CD1-CG1 3.58Å; V1157-F1159 HydrophobicContact CG1-CD2 4.47Å; V1157-F1159 HydrophobicContact CG1-CE2 4.03Å; V1157-P1163 CarbonylContact O-C 3.56Å; V1157-P1163 WeakPolarHBondContact O-CA 3.31Å; V1157-C1164 HydrophobicContact CB-CB 4.14Å; V1157-C1164 HydrophobicContact CG1-CB 3.91Å; V1157-C1164 PolarHBondContact O-N 3.17Å; V1157-I1166 HydrophobicContact CB-CG1 4.45Å; V1157-I1166 HydrophobicContact CG2-CD1 4.01Å; V1157-I1166 HydrophobicContact CG2-CG1 4.09Å; V1157-M1169 HydrophobicContact CG2-CE 4.32Å; V1157-I1174 HydrophobicContact CG2-CD1 3.83Å; V1157-I1174 HydrophobicContact CG2-CG2 4.05Å; V1157-I1189 HydrophobicContact CG1-CG2 4.4Å; V1157-K1190 CarbonylContact C-O 3.56Å; V1157-K1190 WeakPolarHBondContact CA-O 3.33Å; V1157-I1191 HydrophobicContact CG1-CG1 4.45Å; V1157-I1191 HydrophobicContact CG2-CG1 4.17Å; V1157-I1191 HydrophobicContact CG2-CG2 4.32Å |
| 1158 | S | 89.1 | Confident | 86 | Confident | 23.4 Ų | 23.4 | 51.9 Ų | 51.9 | 16% | 0.164 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 152.4 | 174.5 | 57.6 | 0 | 0 | 0 | 0 | 112.8 | I1162 I1189 K1190 | S1158-I1162 CarbonylContact C-O 3.56Å; S1158-I1162 WeakPolarHBondContact CA-O 3.25Å; S1158-I1162 WeakPolarHBondContact CB-O 3.25Å; S1158-I1189 CarbonylContact O-C 3.56Å; S1158-I1189 VanDerWaalsContact O-CA 3.3Å; S1158-I1189 WeakPolarHBondContact O-CA 3.35Å; S1158-K1190 PolarHBondContact N-O 3.34Å; S1158-K1190 PolarHBondContact O-N 3.02Å; S1158-K1190 PolarHBondContact OG-O 3Å |
| 1159 | F | 88.5 | Confident | 85.9 | Confident | 1.6 Ų | 1.6 | 52.4 Ų | 52.4 | 1% | 0.007 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 114.3 | 175.2 | -71.5 | -114.5 | 0 | 0 | 0 | 107.4 | I1130 I1143 I1145 V1157 D1161 I1162 C1164 L1178 L1183 K1187 I1189 F1204 | I1130-F1159 HydrophobicContact CG2-CE1 4.44Å; I1130-F1159 HydrophobicContact CG2-CZ 4.46Å; I1143-F1159 HydrophobicContact CB-CZ 4.36Å; I1143-F1159 HydrophobicContact CD1-CD1 4.32Å; I1143-F1159 HydrophobicContact CD1-CD2 4.48Å; I1143-F1159 HydrophobicContact CD1-CE1 3.66Å; I1143-F1159 VanDerWaalsContact CD1-CE1 3.48Å; I1143-F1159 HydrophobicContact CD1-CE2 3.85Å; I1143-F1159 HydrophobicContact CD1-CZ 3.35Å; I1143-F1159 VanDerWaalsContact CD1-CZ 3.45Å; I1143-F1159 HydrophobicContact CG1-CZ 4.39Å; I1143-F1159 HydrophobicContact CG2-CE1 4.42Å; I1143-F1159 HydrophobicContact CG2-CZ 3.96Å; I1145-F1159 HydrophobicContact CD1-CE2 4.31Å; I1145-F1159 HydrophobicContact CD1-CZ 4.23Å; V1157-F1159 HydrophobicContact CG1-CD2 4.47Å; V1157-F1159 HydrophobicContact CG1-CE2 4.03Å; F1159-D1161 PolarHBondContact O-N 2.88Å; F1159-I1162 PolarHBondContact N-O 3Å; F1159-I1162 WeakPolarHBondContact O-CA 3.41Å; F1159-I1162 VanDerWaalsContact O-CB 3.28Å; F1159-I1162 WeakPolarHBondContact O-CB 3.39Å; F1159-I1162 WeakPolarHBondContact O-CG1 3.36Å; F1159-I1162 PolarHBondContact O-N 2.98Å; F1159-C1164 HydrophobicContact CD2-CB 3.99Å; F1159-C1164 HydrophobicContact CE2-CB 3.92Å; F1159-L1178 HydrophobicContact CB-CD1 4.39Å; F1159-L1178 HydrophobicContact CB-CD2 3.73Å; F1159-L1178 HydrophobicContact CD1-CD2 3.91Å; F1159-L1178 HydrophobicContact CD2-CD1 4.13Å; F1159-L1178 HydrophobicContact CD2-CD2 3.85Å; F1159-L1178 HydrophobicContact CD2-CG 4.44Å; F1159-L1178 HydrophobicContact CE1-CD2 4.13Å; F1159-L1178 HydrophobicContact CE2-CD2 4.33Å; F1159-L1178 HydrophobicContact CG-CD1 4.39Å; F1159-L1178 HydrophobicContact CG-CD2 3.57Å; F1159-L1178 VanDerWaalsContact CG-CD2 3.46Å; F1159-L1178 HydrophobicContact CZ-CD2 4.48Å; F1159-L1183 HydrophobicContact CD1-CD2 4.1Å; F1159-L1183 HydrophobicContact CE1-CD2 4.11Å; F1159-L1183 HydrophobicContact CG-CD2 4.44Å; F1159-K1187 HydrophobicContact CD1-CB 4.28Å; F1159-I1189 HydrophobicContact CD1-CD1 4.19Å; F1159-I1189 HydrophobicContact CD1-CG1 3.49Å; F1159-I1189 VanDerWaalsContact CD1-CG1 3.48Å; F1159-I1189 HydrophobicContact CD2-CG1 4.45Å; F1159-I1189 HydrophobicContact CD2-CG2 4.45Å; F1159-I1189 HydrophobicContact CE1-CB 4.41Å; F1159-I1189 HydrophobicContact CE1-CD1 4.08Å; F1159-I1189 HydrophobicContact CE1-CG1 3.3Å; F1159-I1189 HydrophobicContact CE1-CG2 4.4Å; F1159-I1189 HydrophobicContact CE2-CG1 4.38Å; F1159-I1189 HydrophobicContact CE2-CG2 4.2Å; F1159-I1189 HydrophobicContact CG-CG1 4.09Å; F1159-I1189 HydrophobicContact CZ-CG1 3.76Å; F1159-I1189 HydrophobicContact CZ-CG2 4.13Å; F1159-F1204 HydrophobicContact CD1-CE2 4.28Å; F1159-F1204 HydrophobicContact CD1-CZ 4.46Å; F1159-F1204 HydrophobicContact CE1-CE2 4.25Å; F1159-F1204 AromaticContact CE1-CZ 3.81Å; F1159-F1204 HydrophobicContact CE1-CZ 4.19Å |
| 1160 | D | 84.8 | Confident | 85.9 | Confident | 60.8 Ų | 60.8 | 54.8 Ų | 54.8 | 33% | 0.325 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 42.5 | -172.1 | -61.2 | -18.2 | 0 | 0 | 0 | 113.2 | I1162 K1187 V1188 | D1160-I1162 PolarHBondContact O-N 2.96Å; D1160-K1187 WeakPolarHBondContact OD1-CA 3.37Å; D1160-K1187 WeakPolarHBondContact OD2-CD 3.26Å; D1160-K1187 WeakPolarHBondContact OD2-CE 3.47Å; D1160-K1187 IonicContact OD2-NZ 3.14Å; D1160-K1187 PolarHBondContact OD2-NZ 3.1Å; D1160-K1187 VanDerWaalsContact OD2-NZ 3.11Å; D1160-V1188 PolarHBondContact N-O 3.15Å; D1160-V1188 PolarHBondContact OD1-N 3.05Å |
| 1161 | D | 81.6 | Confident | 85.7 | Confident | 115.4 Ų | 115.4 | 56 Ų | 56 | 62% | 0.617 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 4.5 | -175.5 | -53.1 | -46.3 | 0 | 0 | 0 | 115.7 | F1159 P1163 K1190 | F1159-D1161 PolarHBondContact O-N 2.88Å; D1161-P1163 WeakPolarHBondContact O-CD 3.2Å; D1161-K1190 IonicContact OD1-NZ 2.76Å; D1161-K1190 PolarHBondContact OD1-NZ 3Å; D1161-K1190 IonicContact OD2-NZ 3.15Å; D1161-K1190 PolarHBondContact OD2-NZ 2.87Å |
| 1162 | I | 84.9 | Confident | 85.8 | Confident | 53 Ų | 53 | 59.2 Ų | 59.2 | 27% | 0.272 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 120.1 | 170.4 | -52.6 | 176.5 | 0 | 0 | 0 | 109.7 | S1158 F1159 D1160 C1164 L1178 E1182 | S1158-I1162 CarbonylContact C-O 3.56Å; S1158-I1162 WeakPolarHBondContact CA-O 3.25Å; S1158-I1162 WeakPolarHBondContact CB-O 3.25Å; F1159-I1162 PolarHBondContact N-O 3Å; F1159-I1162 WeakPolarHBondContact O-CA 3.41Å; F1159-I1162 VanDerWaalsContact O-CB 3.28Å; F1159-I1162 WeakPolarHBondContact O-CB 3.39Å; F1159-I1162 WeakPolarHBondContact O-CG1 3.36Å; F1159-I1162 PolarHBondContact O-N 2.98Å; D1160-I1162 PolarHBondContact O-N 2.96Å; I1162-C1164 PolarHBondContact O-N 2.99Å; I1162-L1178 HydrophobicContact CB-CD1 4.47Å; I1162-L1178 HydrophobicContact CG2-CD1 4.1Å; I1162-E1182 HydrophobicContact CD1-CB 4.12Å; I1162-E1182 VanDerWaalsContact CD1-CD 3.43Å; I1162-E1182 HydrophobicContact CD1-CG 4.07Å; I1162-E1182 WeakPolarHBondContact CD1-OE2 3.34Å; I1162-E1182 VanDerWaalsContact CG2-OE2 3.22Å; I1162-E1182 WeakPolarHBondContact CG2-OE2 3.41Å |
| 1163 | P | 86 | Confident | 86.1 | Confident | 104.6 Ų | 104.6 | 60 Ų | 60 | 68% | 0.679 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 128.5 | -175.9 | 26.8 | -33.5 | 0 | 0 | 0 | 112.5 | V1157 D1161 | V1157-P1163 CarbonylContact O-C 3.56Å; V1157-P1163 WeakPolarHBondContact O-CA 3.31Å; D1161-P1163 WeakPolarHBondContact O-CD 3.2Å |
| 1164 | C | 87.6 | Confident | 86.6 | Confident | 6.8 Ų | 6.8 | 53.7 Ų | 53.7 | 5% | 0.046 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 123.5 | 174.5 | -161.3 | 0 | 0 | 0 | 0 | 109.9 | V1157 F1159 I1162 I1166 C1176 L1177 L1178 | V1157-C1164 HydrophobicContact CB-CB 4.14Å; V1157-C1164 HydrophobicContact CG1-CB 3.91Å; V1157-C1164 PolarHBondContact O-N 3.17Å; F1159-C1164 HydrophobicContact CD2-CB 3.99Å; F1159-C1164 HydrophobicContact CE2-CB 3.92Å; I1162-C1164 PolarHBondContact O-N 2.99Å; C1164-I1166 PolarHBondContact O-N 3.13Å; C1164-I1166 VanDerWaalsContact O-N 3.15Å; C1164-C1176 HydrophobicContact CB-CB 3.83Å; C1164-C1176 WeakPolarHBondContact CB-SG 3.38Å; C1164-C1176 VanDerWaalsContact SG-C 3.53Å; C1164-C1176 WeakPolarHBondContact SG-CB 3.32Å; C1164-C1176 CovalentContact SG-SG 2.03Å; C1164-C1176 PolarHBondContact SG-SG 3.1Å; C1164-L1177 VanDerWaalsContact SG-C 3.55Å; C1164-L1177 PolarHBondContact SG-N 3.17Å; C1164-L1177 PolarHBondContact SG-O 2.97Å; C1164-L1177 VanDerWaalsContact SG-O 3.36Å; C1164-L1178 HydrophobicContact CB-CD1 4.06Å |
| 1165 | K | 85.9 | Confident | 86.9 | Confident | 152.4 Ų | 152.4 | 54.5 Ų | 54.5 | 66% | 0.663 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 110.5 | -177.1 | -177.7 | -175.9 | 176.9 | -175 | 0 | 110.5 | I1167 C1176 L1177 | K1165-I1167 PolarHBondContact O-N 2.68Å; K1165-C1176 CarbonylContact O-C 3.53Å; K1165-C1176 WeakPolarHBondContact O-CA 3.28Å; K1165-C1176 VanDerWaalsContact O-CB 3.31Å; K1165-C1176 WeakPolarHBondContact O-CB 3.32Å; K1165-L1177 HydrophobicContact CB-CB 4.44Å; K1165-L1177 PolarHBondContact N-O 2.94Å; K1165-L1177 VanDerWaalsContact N-O 3.1Å; K1165-L1177 PolarHBondContact O-N 2.99Å; K1165-L1177 VanDerWaalsContact O-N 3.08Å |
| 1166 | I | 86.3 | Confident | 86.9 | Confident | 53.6 Ų | 53.6 | 54.2 Ų | 54.2 | 28% | 0.275 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 130.6 | 179.3 | -59.5 | 164.2 | 0 | 0 | 0 | 110.5 | S1155 V1157 C1164 M1169 I1174 Y1175 C1176 | S1155-I1166 VanDerWaalsContact O-CD1 3.27Å; S1155-I1166 WeakPolarHBondContact O-CD1 3.38Å; V1157-I1166 HydrophobicContact CB-CG1 4.45Å; V1157-I1166 HydrophobicContact CG2-CD1 4.01Å; V1157-I1166 HydrophobicContact CG2-CG1 4.09Å; C1164-I1166 PolarHBondContact O-N 3.13Å; C1164-I1166 VanDerWaalsContact O-N 3.15Å; I1166-M1169 HydrophobicContact CD1-CE 3.57Å; I1166-M1169 VanDerWaalsContact CD1-CE 3.42Å; I1166-M1169 HydrophobicContact CD1-SD 4.29Å; I1166-M1169 HydrophobicContact CG1-CE 3.99Å; I1166-M1169 HydrophobicContact CG2-CB 4.06Å; I1166-M1169 HydrophobicContact CG2-CE 4.18Å; I1166-I1174 HydrophobicContact CD1-CG2 4.4Å; I1166-I1174 HydrophobicContact CG1-CG2 4.15Å; I1166-I1174 HydrophobicContact CG2-CG2 4.17Å; I1166-Y1175 CarbonylContact C-O 3.5Å; I1166-Y1175 WeakPolarHBondContact CA-O 3.35Å; I1166-C1176 HydrophobicContact CG1-CB 4.34Å |
| 1167 | I | 84.2 | Confident | 86.7 | Confident | 90.6 Ų | 90.6 | 50.3 Ų | 50.3 | 47% | 0.465 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -44.8 | 173.9 | -57 | -177.2 | 0 | 0 | 0 | 109.9 | F1136 Y1142 K1165 Y1175 L1177 | F1136-I1167 HydrophobicContact CD2-CD1 4.23Å; F1136-I1167 HydrophobicContact CE2-CD1 3.58Å; F1136-I1167 HydrophobicContact CZ-CD1 4.15Å; Y1142-I1167 HydrophobicContact CD1-CD1 3.42Å; Y1142-I1167 VanDerWaalsContact CD1-CD1 3.42Å; Y1142-I1167 HydrophobicContact CD1-CG1 4.39Å; Y1142-I1167 HydrophobicContact CE1-CD1 3Å; Y1142-I1167 HydrophobicContact CE1-CG1 4.14Å; Y1142-I1167 HydrophobicContact CE1-CG2 4.44Å; Y1142-I1167 HydrophobicContact CE2-CD1 4.31Å; Y1142-I1167 HydrophobicContact CG-CD1 4.26Å; Y1142-I1167 VanDerWaalsContact CZ-CD1 3.49Å; K1165-I1167 PolarHBondContact O-N 2.68Å; I1167-Y1175 PolarHBondContact N-O 3Å; I1167-L1177 HydrophobicContact CD1-CB 4.43Å; I1167-L1177 HydrophobicContact CD1-CD1 3.87Å; I1167-L1177 HydrophobicContact CD1-CD2 4.17Å; I1167-L1177 HydrophobicContact CD1-CG 3.85Å; I1167-L1177 HydrophobicContact CG1-CD1 4.13Å; I1167-L1177 HydrophobicContact CG1-CG 4.22Å |
| 1168 | N | 84.3 | Confident | 86.1 | Confident | 88.4 Ų | 88.4 | 50.2 Ų | 50.2 | 47% | 0.473 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 145.7 | 179.7 | -172.3 | 17.1 | 0 | 0 | 0 | 109.8 | I1174 Y1175 | N1168-I1174 WeakPolarHBondContact O-CA 3.45Å; N1168-Y1175 HydrophobicContact CB-CD2 4.33Å; N1168-Y1175 PolarHBondContact N-O 2.96Å; N1168-Y1175 PolarHBondContact O-N 3.01Å |
| 1169 | M | 86.6 | Confident | 85.3 | Confident | 9 Ų | 9 | 51.5 Ų | 51.5 | 4% | 0.044 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 130 | -179.5 | -179 | 171.2 | -107.8 | 0 | 0 | 111 | F1150 L1151 S1155 V1157 I1166 E1173 I1174 | F1150-M1169 HydrophobicContact CB-CE 3.55Å; F1150-M1169 HydrophobicContact CB-CG 4.49Å; F1150-M1169 HydrophobicContact CB-SD 4.42Å; F1150-M1169 HydrophobicContact CD2-CE 4.41Å; F1150-M1169 HydrophobicContact CG-CE 4.01Å; L1151-M1169 VanDerWaalsContact O-SD 3.38Å; S1155-M1169 VanDerWaalsContact OG-CE 3.23Å; S1155-M1169 WeakPolarHBondContact OG-CE 3.28Å; V1157-M1169 HydrophobicContact CG2-CE 4.32Å; I1166-M1169 HydrophobicContact CD1-CE 3.57Å; I1166-M1169 VanDerWaalsContact CD1-CE 3.42Å; I1166-M1169 HydrophobicContact CD1-SD 4.29Å; I1166-M1169 HydrophobicContact CG1-CE 3.99Å; I1166-M1169 HydrophobicContact CG2-CB 4.06Å; I1166-M1169 HydrophobicContact CG2-CE 4.18Å; M1169-E1173 CarbonylContact C-O 3.53Å; M1169-E1173 WeakPolarHBondContact CA-O 3.35Å; M1169-I1174 HydrophobicContact CB-CG2 4.49Å; M1169-I1174 HydrophobicContact CE-CB 4.33Å; M1169-I1174 HydrophobicContact CE-CD1 3.5Å; M1169-I1174 VanDerWaalsContact CE-CD1 3.43Å; M1169-I1174 HydrophobicContact CE-CG1 3.7Å; M1169-I1174 HydrophobicContact CE-CG2 3.77Å; M1169-I1174 HydrophobicContact CG-CG1 4.08Å; M1169-I1174 HydrophobicContact SD-CD1 4.35Å; M1169-I1174 HydrophobicContact SD-CG1 4.38Å |
| 1170 | T | 87.6 | Confident | 84.1 | Confident | 52.6 Ų | 52.6 | 54.6 Ų | 54.6 | 32% | 0.323 | 29% | 0.287 | S | S | . | . | trans | -117.7 | -178.8 | 169.1 | 68.8 | 0 | 0 | 0 | 0 | 109.2 | F1150 I1172 E1173 | F1150-T1170 VanDerWaalsContact CB-O 3.29Å; F1150-T1170 WeakPolarHBondContact CB-O 3.35Å; T1170-I1172 PolarHBondContact O-N 3.18Å; T1170-I1172 PolarHBondContact OG1-N 2.91Å; T1170-E1173 PolarHBondContact N-O 3.09Å; T1170-E1173 PolarHBondContact OG1-N 3.13Å; T1170-E1173 PolarHBondContact OG1-O 3.18Å | ||
| 1171 | T | 85.9 | Confident | 83.2 | Confident | 25.6 Ų | 25.6 | 57.2 Ų | 57.2 | 16% | 0.157 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -68.8 | -10.8 | 176.1 | 53.9 | 0 | 0 | 0 | 0 | 113.9 | V1094 P1096 S1148 R1149 F1150 P1152 | V1094-T1171 VanDerWaalsContact O-CB 3.3Å; V1094-T1171 WeakPolarHBondContact O-CB 3.29Å; V1094-T1171 WeakPolarHBondContact O-CG2 3.3Å; V1094-T1171 PolarHBondContact O-OG1 3.08Å; V1094-T1171 VanDerWaalsContact O-OG1 3.08Å; P1096-T1171 HydrophobicContact CB-CG2 4.42Å; P1096-T1171 HydrophobicContact CG-CG2 3.81Å; S1148-T1171 CarbonylContact C-O 3.49Å; S1148-T1171 VanDerWaalsContact C-O 3.25Å; R1149-T1171 PolarHBondContact N-O 3.07Å; F1150-T1171 PolarHBondContact N-O 3.02Å; F1150-T1171 VanDerWaalsContact N-O 3.07Å; F1150-T1171 WeakPolarHBondContact O-CA 3.29Å; F1150-T1171 WeakPolarHBondContact O-CG2 3.22Å; P1152-T1171 HydrophobicContact CG-CG2 4.03Å |
| 1172 | I | 88.4 | Confident | 82.6 | Confident | 68.4 Ų | 68.4 | 55.2 Ų | 55.2 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -129.7 | -11.7 | -176 | 55.2 | 163 | 0 | 0 | 0 | 114.5 | N1093 V1094 T1146 G1147 T1170 | N1093-I1172 WeakPolarHBondContact O-CG2 3.25Å; V1094-I1172 HydrophobicContact CG1-CG2 4.17Å; T1146-I1172 CarbonylContact C-O 3.44Å; T1146-I1172 WeakPolarHBondContact CA-O 3.31Å; G1147-I1172 PolarHBondContact N-O 3.12Å; G1147-I1172 WeakPolarHBondContact O-CA 3.34Å; T1170-I1172 PolarHBondContact O-N 3.18Å; T1170-I1172 PolarHBondContact OG1-N 2.91Å |
| 1173 | E | 89.6 | Confident | 81.8 | Confident | 46.2 Ų | 46.2 | 52.8 Ų | 52.8 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 143.4 | -176.8 | -64 | -168.8 | 159.1 | 0 | 0 | 112.4 | R1144 I1145 T1146 M1169 T1170 Y1175 | R1144-E1173 IonicContact CZ-OE1 3.13Å; R1144-E1173 IonicContact CZ-OE2 2.67Å; R1144-E1173 IonicContact NE-OE1 2.91Å; R1144-E1173 PolarHBondContact NE-OE1 3.13Å; R1144-E1173 IonicContact NE-OE2 2.98Å; R1144-E1173 PolarHBondContact NE-OE2 3.42Å; R1144-E1173 IonicContact NH2-OE1 3.31Å; R1144-E1173 PolarHBondContact NH2-OE1 2.88Å; R1144-E1173 IonicContact NH2-OE2 2.94Å; I1145-E1173 CarbonylContact O-C 3.52Å; I1145-E1173 VanDerWaalsContact O-CA 3.31Å; I1145-E1173 WeakPolarHBondContact O-CA 3.33Å; T1146-E1173 HydrophobicContact CG2-CG 4.28Å; M1169-E1173 CarbonylContact C-O 3.53Å; M1169-E1173 WeakPolarHBondContact CA-O 3.35Å; T1170-E1173 PolarHBondContact N-O 3.09Å; T1170-E1173 PolarHBondContact OG1-N 3.13Å; T1170-E1173 PolarHBondContact OG1-O 3.18Å; E1173-Y1175 HydrophobicContact CB-CE2 4.3Å; E1173-Y1175 VanDerWaalsContact OE2-CE2 3.25Å; E1173-Y1175 WeakPolarHBondContact OE2-CE2 3.36Å; E1173-Y1175 PolarHBondContact OE2-OH 3.2Å |
| 1174 | I | 89.9 | Confident | 81 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 132 | 172.1 | -47.1 | 172.5 | 0 | 0 | 0 | 108.7 | R1144 I1145 F1150 V1157 I1166 N1168 M1169 C1176 I1191 | R1144-I1174 WeakPolarHBondContact CA-O 3.21Å; I1145-I1174 HydrophobicContact CB-CB 4.21Å; I1145-I1174 PolarHBondContact N-O 2.99Å; I1145-I1174 PolarHBondContact O-N 3.13Å; F1150-I1174 HydrophobicContact CD1-CD1 4.22Å; F1150-I1174 HydrophobicContact CD2-CD1 3.82Å; F1150-I1174 HydrophobicContact CD2-CG1 3.59Å; F1150-I1174 VanDerWaalsContact CD2-CG1 3.49Å; F1150-I1174 HydrophobicContact CE1-CD1 4.25Å; F1150-I1174 HydrophobicContact CE2-CD1 3.82Å; F1150-I1174 HydrophobicContact CE2-CG1 3.67Å; F1150-I1174 HydrophobicContact CG-CD1 4.12Å; F1150-I1174 HydrophobicContact CG-CG1 4.29Å; F1150-I1174 HydrophobicContact CZ-CD1 4.11Å; F1150-I1174 HydrophobicContact CZ-CG1 4.41Å; V1157-I1174 HydrophobicContact CG2-CD1 3.83Å; V1157-I1174 HydrophobicContact CG2-CG2 4.05Å; I1166-I1174 HydrophobicContact CD1-CG2 4.4Å; I1166-I1174 HydrophobicContact CG1-CG2 4.15Å; I1166-I1174 HydrophobicContact CG2-CG2 4.17Å; N1168-I1174 WeakPolarHBondContact O-CA 3.45Å; M1169-I1174 HydrophobicContact CB-CG2 4.49Å; M1169-I1174 HydrophobicContact CE-CB 4.33Å; M1169-I1174 HydrophobicContact CE-CD1 3.5Å; M1169-I1174 VanDerWaalsContact CE-CD1 3.43Å; M1169-I1174 HydrophobicContact CE-CG1 3.7Å; M1169-I1174 HydrophobicContact CE-CG2 3.77Å; M1169-I1174 HydrophobicContact CG-CG1 4.08Å; M1169-I1174 HydrophobicContact SD-CD1 4.35Å; M1169-I1174 HydrophobicContact SD-CG1 4.38Å; I1174-C1176 HydrophobicContact CG2-CB 4.37Å; I1174-I1191 HydrophobicContact CD1-CD1 3.53Å; I1174-I1191 VanDerWaalsContact CD1-CD1 3.46Å; I1174-I1191 HydrophobicContact CD1-CG1 4.18Å; I1174-I1191 HydrophobicContact CD1-CG2 4.34Å |
| 1175 | Y | 87.8 | Confident | 80.5 | Confident | 63.4 Ų | 63.4 | 52.4 Ų | 52.4 | 25% | 0.249 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 123.1 | 167.6 | -67.3 | -93.8 | 0 | 0 | 0 | 108.2 | Y1142 I1143 R1144 I1166 I1167 N1168 E1173 | Y1142-Y1175 AromaticContact CD2-CD1 3.89Å; Y1142-Y1175 HydrophobicContact CD2-CD1 4.05Å; Y1142-Y1175 HydrophobicContact CD2-CE1 4.29Å; Y1142-Y1175 AromaticContact CE2-CD1 3.81Å; Y1142-Y1175 HydrophobicContact CE2-CD1 3.92Å; Y1142-Y1175 HydrophobicContact CE2-CE1 4.1Å; I1143-Y1175 WeakPolarHBondContact O-CA 3.38Å; R1144-Y1175 HydrophobicContact CB-CD1 4.31Å; R1144-Y1175 HydrophobicContact CB-CE1 4.07Å; R1144-Y1175 VanDerWaalsContact CD-OH 3.27Å; R1144-Y1175 WeakPolarHBondContact CD-OH 3.36Å; R1144-Y1175 HydrophobicContact CG-CD1 4.41Å; R1144-Y1175 HydrophobicContact CG-CE1 3.91Å; R1144-Y1175 HydrophobicContact CG-CE2 4.32Å; R1144-Y1175 PolarHBondContact NE-OH 3.1Å; R1144-Y1175 VanDerWaalsContact NE-OH 3.15Å; I1166-Y1175 CarbonylContact C-O 3.5Å; I1166-Y1175 WeakPolarHBondContact CA-O 3.35Å; I1167-Y1175 PolarHBondContact N-O 3Å; N1168-Y1175 HydrophobicContact CB-CD2 4.33Å; N1168-Y1175 PolarHBondContact N-O 2.96Å; N1168-Y1175 PolarHBondContact O-N 3.01Å; E1173-Y1175 HydrophobicContact CB-CE2 4.3Å; E1173-Y1175 VanDerWaalsContact OE2-CE2 3.25Å; E1173-Y1175 WeakPolarHBondContact OE2-CE2 3.36Å; E1173-Y1175 PolarHBondContact OE2-OH 3.2Å |
| 1176 | C | 88 | Confident | 80.3 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 157.9 | 178 | 77.6 | 0 | 0 | 0 | 0 | 112.6 | Y1142 I1143 C1164 K1165 I1166 I1174 | Y1142-C1176 CarbonylContact C-O 3.5Å; Y1142-C1176 VanDerWaalsContact CA-O 3.27Å; Y1142-C1176 WeakPolarHBondContact CA-O 3.31Å; I1143-C1176 PolarHBondContact N-O 3.07Å; I1143-C1176 PolarHBondContact O-N 2.96Å; I1143-C1176 VanDerWaalsContact O-N 3.09Å; C1164-C1176 HydrophobicContact CB-CB 3.83Å; C1164-C1176 WeakPolarHBondContact CB-SG 3.38Å; C1164-C1176 VanDerWaalsContact SG-C 3.53Å; C1164-C1176 WeakPolarHBondContact SG-CB 3.32Å; C1164-C1176 CovalentContact SG-SG 2.03Å; C1164-C1176 PolarHBondContact SG-SG 3.1Å; K1165-C1176 CarbonylContact O-C 3.53Å; K1165-C1176 WeakPolarHBondContact O-CA 3.28Å; K1165-C1176 VanDerWaalsContact O-CB 3.31Å; K1165-C1176 WeakPolarHBondContact O-CB 3.32Å; I1166-C1176 HydrophobicContact CG1-CB 4.34Å; I1174-C1176 HydrophobicContact CG2-CB 4.37Å |
| 1177 | L | 83.7 | Confident | 80.3 | Confident | 34.8 Ų | 34.8 | 50 Ų | 50 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 130.2 | -179.4 | -74.7 | 161.9 | 0 | 0 | 0 | 111.5 | D1137 K1140 E1141 Y1142 C1164 K1165 I1167 | D1137-L1177 HydrophobicContact CB-CD1 4.24Å; D1137-L1177 HydrophobicContact CB-CD2 4.06Å; K1140-L1177 HydrophobicContact CB-CB 4.23Å; K1140-L1177 HydrophobicContact CB-CD2 3.91Å; K1140-L1177 HydrophobicContact CD-CD1 4.28Å; K1140-L1177 HydrophobicContact CD-CD2 4.15Å; K1140-L1177 HydrophobicContact CG-CD2 4.37Å; E1141-L1177 WeakPolarHBondContact O-CA 3.48Å; E1141-L1177 VanDerWaalsContact O-CD2 3.25Å; E1141-L1177 WeakPolarHBondContact O-CD2 3.4Å; Y1142-L1177 HydrophobicContact CD1-CD2 3.82Å; Y1142-L1177 HydrophobicContact CD1-CG 4.1Å; Y1142-L1177 HydrophobicContact CD2-CD2 3.86Å; Y1142-L1177 HydrophobicContact CD2-CG 4.41Å; Y1142-L1177 HydrophobicContact CE1-CD1 4.28Å; Y1142-L1177 HydrophobicContact CE1-CD2 3.89Å; Y1142-L1177 HydrophobicContact CE1-CG 3.97Å; Y1142-L1177 HydrophobicContact CE2-CD1 4.37Å; Y1142-L1177 HydrophobicContact CE2-CD2 3.88Å; Y1142-L1177 HydrophobicContact CE2-CG 4.31Å; Y1142-L1177 HydrophobicContact CG-CD2 3.65Å; Y1142-L1177 HydrophobicContact CG-CG 4.42Å; C1164-L1177 VanDerWaalsContact SG-C 3.55Å; C1164-L1177 PolarHBondContact SG-N 3.17Å; C1164-L1177 PolarHBondContact SG-O 2.97Å; C1164-L1177 VanDerWaalsContact SG-O 3.36Å; K1165-L1177 HydrophobicContact CB-CB 4.44Å; K1165-L1177 PolarHBondContact N-O 2.94Å; K1165-L1177 VanDerWaalsContact N-O 3.1Å; K1165-L1177 PolarHBondContact O-N 2.99Å; K1165-L1177 VanDerWaalsContact O-N 3.08Å; I1167-L1177 HydrophobicContact CD1-CB 4.43Å; I1167-L1177 HydrophobicContact CD1-CD1 3.87Å; I1167-L1177 HydrophobicContact CD1-CD2 4.17Å; I1167-L1177 HydrophobicContact CD1-CG 3.85Å; I1167-L1177 HydrophobicContact CG1-CD1 4.13Å; I1167-L1177 HydrophobicContact CG1-CG 4.22Å |
| 1178 | L | 77.6 | Confident | 80.5 | Confident | 4.2 Ų | 4.2 | 48 Ų | 48 | 2% | 0.022 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 140.6 | 173.7 | -159.4 | 76.6 | 0 | 0 | 0 | 110.4 | K1140 E1141 I1143 F1159 I1162 C1164 I1180 E1182 L1183 | K1140-L1178 CarbonylContact C-O 3.56Å; K1140-L1178 WeakPolarHBondContact CA-O 3.41Å; K1140-L1178 WeakPolarHBondContact CB-O 3.36Å; E1141-L1178 PolarHBondContact N-O 2.98Å; E1141-L1178 PolarHBondContact O-N 3.09Å; I1143-L1178 HydrophobicContact CD1-CB 3.8Å; I1143-L1178 HydrophobicContact CD1-CD2 4.22Å; I1143-L1178 HydrophobicContact CG1-CB 4.37Å; F1159-L1178 HydrophobicContact CB-CD1 4.39Å; F1159-L1178 HydrophobicContact CB-CD2 3.73Å; F1159-L1178 HydrophobicContact CD1-CD2 3.91Å; F1159-L1178 HydrophobicContact CD2-CD1 4.13Å; F1159-L1178 HydrophobicContact CD2-CD2 3.85Å; F1159-L1178 HydrophobicContact CD2-CG 4.44Å; F1159-L1178 HydrophobicContact CE1-CD2 4.13Å; F1159-L1178 HydrophobicContact CE2-CD2 4.33Å; F1159-L1178 HydrophobicContact CG-CD1 4.39Å; F1159-L1178 HydrophobicContact CG-CD2 3.57Å; F1159-L1178 VanDerWaalsContact CG-CD2 3.46Å; F1159-L1178 HydrophobicContact CZ-CD2 4.48Å; I1162-L1178 HydrophobicContact CB-CD1 4.47Å; I1162-L1178 HydrophobicContact CG2-CD1 4.1Å; C1164-L1178 HydrophobicContact CB-CD1 4.06Å; L1178-I1180 PolarHBondContact O-N 3.05Å; L1178-E1182 WeakPolarHBondContact CD1-OE2 3.41Å; L1178-E1182 HydrophobicContact CD2-CB 4.25Å; L1178-E1182 HydrophobicContact CG-CB 4.44Å; L1178-L1183 HydrophobicContact CB-CD1 4.46Å; L1178-L1183 HydrophobicContact CD2-CD2 3.93Å; L1178-L1183 HydrophobicContact CD2-CG 4.06Å; L1178-L1183 HydrophobicContact CG-CG 4.49Å |
| 1179 | P | 71.9 | Confident | 80.8 | Confident | 49.4 Ų | 49.4 | 43.8 Ų | 43.8 | 32% | 0.321 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 139 | 175.5 | -21 | 32.9 | 0 | 0 | 0 | 113.3 | K1140 T1181 E1182 L1183 | K1140-P1179 HydrophobicContact CG-CB 4.29Å; K1140-P1179 HydrophobicContact CG-CG 4.09Å; P1179-T1181 VanDerWaalsContact C-N 3.28Å; P1179-T1181 PolarHBondContact O-N 3.03Å; P1179-E1182 HydrophobicContact CB-CB 4.39Å; P1179-E1182 HydrophobicContact CB-CG 4.3Å; P1179-E1182 WeakPolarHBondContact CD-OE2 3.2Å; P1179-E1182 HydrophobicContact CG-CG 4.45Å; P1179-E1182 WeakPolarHBondContact O-CB 3.29Å; P1179-E1182 PolarHBondContact O-N 3.16Å; P1179-L1183 PolarHBondContact O-N 3.36Å |
| 1180 | I | 64 | Low | 81 | Confident | 68.4 Ų | 68.4 | 46.4 Ų | 46.4 | 35% | 0.351 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -60.6 | -33.4 | -179.1 | -125.3 | 167.1 | 0 | 0 | 0 | 112.8 | L1135 F1136 G1139 E1141 L1178 E1182 L1183 S1184 L1286 | L1135-I1180 HydrophobicContact CD1-CD1 4.33Å; L1135-I1180 HydrophobicContact CD2-CB 4.45Å; L1135-I1180 HydrophobicContact CD2-CD1 4.13Å; F1136-I1180 HydrophobicContact CD1-CD1 3.34Å; F1136-I1180 HydrophobicContact CD1-CG1 3.7Å; F1136-I1180 HydrophobicContact CE1-CD1 3.63Å; F1136-I1180 HydrophobicContact CE1-CG1 3.76Å; F1136-I1180 HydrophobicContact CG-CD1 4.21Å; G1139-I1180 VanDerWaalsContact O-CG1 3.3Å; G1139-I1180 WeakPolarHBondContact O-CG1 3.47Å; G1139-I1180 PolarHBondContact O-N 2.98Å; E1141-I1180 HydrophobicContact CB-CG1 4.38Å; E1141-I1180 VanDerWaalsContact CD-CD1 3.45Å; E1141-I1180 WeakPolarHBondContact OE1-CD1 3.41Å; E1141-I1180 WeakPolarHBondContact OE2-CD1 3.33Å; E1141-I1180 WeakPolarHBondContact OE2-CG1 3.35Å; L1178-I1180 PolarHBondContact O-N 3.05Å; I1180-E1182 PolarHBondContact O-N 2.93Å; I1180-E1182 VanDerWaalsContact O-N 3.12Å; I1180-L1183 WeakPolarHBondContact O-CB 3.26Å; I1180-L1183 PolarHBondContact O-N 3.21Å; I1180-L1183 VanDerWaalsContact O-N 3.14Å; I1180-S1184 PolarHBondContact O-N 3.19Å; I1180-L1286 HydrophobicContact CD1-CD2 4.22Å |
| 1181 | T | 65 | Low | 81.2 | Confident | 115.2 Ų | 115.2 | 43.8 Ų | 43.8 | 71% | 0.707 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -60.1 | -25.8 | 177.4 | 50.2 | 0 | 0 | 0 | 0 | 112.6 | P1179 | P1179-T1181 VanDerWaalsContact C-N 3.28Å; P1179-T1181 PolarHBondContact O-N 3.03Å |
| 1182 | E | 68.9 | Low | 81.2 | Confident | 71.6 Ų | 71.6 | 47.2 Ų | 47.2 | 34% | 0.335 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -93.4 | -7.9 | -179 | -61.4 | -132.6 | 163.2 | 0 | 0 | 113.2 | I1162 L1178 P1179 I1180 K1187 | I1162-E1182 HydrophobicContact CD1-CB 4.12Å; I1162-E1182 VanDerWaalsContact CD1-CD 3.43Å; I1162-E1182 HydrophobicContact CD1-CG 4.07Å; I1162-E1182 WeakPolarHBondContact CD1-OE2 3.34Å; I1162-E1182 VanDerWaalsContact CG2-OE2 3.22Å; I1162-E1182 WeakPolarHBondContact CG2-OE2 3.41Å; L1178-E1182 WeakPolarHBondContact CD1-OE2 3.41Å; L1178-E1182 HydrophobicContact CD2-CB 4.25Å; L1178-E1182 HydrophobicContact CG-CB 4.44Å; P1179-E1182 HydrophobicContact CB-CB 4.39Å; P1179-E1182 HydrophobicContact CB-CG 4.3Å; P1179-E1182 WeakPolarHBondContact CD-OE2 3.2Å; P1179-E1182 HydrophobicContact CG-CG 4.45Å; P1179-E1182 WeakPolarHBondContact O-CB 3.29Å; P1179-E1182 PolarHBondContact O-N 3.16Å; I1180-E1182 PolarHBondContact O-N 2.93Å; I1180-E1182 VanDerWaalsContact O-N 3.12Å; E1182-K1187 WeakPolarHBondContact O-CE 3.38Å; E1182-K1187 PolarHBondContact O-NZ 3.12Å |
| 1183 | L | 68.9 | Low | 80.9 | Confident | 3.8 Ų | 3.8 | 44.1 Ų | 44.1 | 2% | 0.02 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -24.5 | -178.7 | -83.5 | 159.7 | 0 | 0 | 0 | 113.5 | E1141 I1143 F1159 L1178 P1179 I1180 G1185 K1187 F1204 | E1141-L1183 HydrophobicContact CB-CD1 4Å; E1141-L1183 WeakPolarHBondContact OE2-CD1 3.41Å; I1143-L1183 HydrophobicContact CD1-CD1 4.18Å; I1143-L1183 HydrophobicContact CD1-CD2 3.8Å; I1143-L1183 HydrophobicContact CD1-CG 4.36Å; I1143-L1183 HydrophobicContact CG1-CD1 4.42Å; I1143-L1183 HydrophobicContact CG1-CD2 4.42Å; F1159-L1183 HydrophobicContact CD1-CD2 4.1Å; F1159-L1183 HydrophobicContact CE1-CD2 4.11Å; F1159-L1183 HydrophobicContact CG-CD2 4.44Å; L1178-L1183 HydrophobicContact CB-CD1 4.46Å; L1178-L1183 HydrophobicContact CD2-CD2 3.93Å; L1178-L1183 HydrophobicContact CD2-CG 4.06Å; L1178-L1183 HydrophobicContact CG-CG 4.49Å; P1179-L1183 PolarHBondContact O-N 3.36Å; I1180-L1183 WeakPolarHBondContact O-CB 3.26Å; I1180-L1183 PolarHBondContact O-N 3.21Å; I1180-L1183 VanDerWaalsContact O-N 3.14Å; L1183-G1185 PolarHBondContact O-N 3.17Å; L1183-K1187 VanDerWaalsContact C-CE 3.42Å; L1183-K1187 WeakPolarHBondContact O-CE 3.46Å; L1183-K1187 WeakPolarHBondContact O-CG 3.38Å; L1183-F1204 HydrophobicContact CB-CB 4.43Å; L1183-F1204 HydrophobicContact CB-CD2 4.4Å; L1183-F1204 HydrophobicContact CB-CG 4.28Å; L1183-F1204 HydrophobicContact CD2-CD1 4.16Å; L1183-F1204 HydrophobicContact CD2-CD2 4.18Å; L1183-F1204 HydrophobicContact CD2-CE1 4.17Å; L1183-F1204 HydrophobicContact CD2-CE2 3.93Å; L1183-F1204 HydrophobicContact CD2-CG 4.16Å; L1183-F1204 HydrophobicContact CD2-CZ 3.93Å; L1183-F1204 VanDerWaalsContact O-CB 3.27Å; L1183-F1204 WeakPolarHBondContact O-CB 3.4Å; L1183-F1204 WeakPolarHBondContact O-CD2 3.39Å; L1183-F1204 WeakPolarHBondContact O-CG 3.39Å |
| 1184 | S | 69.5 | Low | 80.2 | Confident | 76.2 Ų | 76.2 | 44.8 Ų | 44.8 | 53% | 0.533 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -61.4 | 132.6 | -170.8 | 175.7 | 0 | 0 | 0 | 0 | 113.7 | I1180 K1187 | I1180-S1184 PolarHBondContact O-N 3.19Å; S1184-K1187 VanDerWaalsContact O-CE 3.29Å; S1184-K1187 WeakPolarHBondContact O-CE 3.4Å |
| 1185 | G | 77 | Confident | 79.3 | Confident | 26.8 Ų | 26.8 | 52 Ų | 52 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 91 | -166.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1183 K1187 D1203 F1204 T1205 | L1183-G1185 PolarHBondContact O-N 3.17Å; G1185-K1187 PolarHBondContact O-N 3.28Å; G1185-D1203 WeakPolarHBondContact CA-OD1 3.43Å; G1185-F1204 PolarHBondContact N-O 3.1Å; G1185-F1204 VanDerWaalsContact N-O 3.07Å; G1185-F1204 PolarHBondContact O-N 3.38Å; G1185-F1204 VanDerWaalsContact O-N 3.09Å; G1185-T1205 VanDerWaalsContact CA-CG2 3.44Å |
| 1186 | Q | 82.3 | Confident | 78.8 | Confident | 131 Ų | 131 | 49.9 Ų | 49.9 | 61% | 0.612 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 122.7 | 179.5 | -167.7 | 170 | 58.3 | 0 | 0 | 110.4 | T1201 E1202 D1203 | Q1186-T1201 HydrophobicContact CG-CG2 3.36Å; Q1186-E1202 CarbonylContact C-O 3.57Å; Q1186-E1202 WeakPolarHBondContact CA-O 3.38Å; Q1186-D1203 WeakPolarHBondContact CA-OD1 3.26Å; Q1186-D1203 HydrophobicContact CB-CB 4.47Å; Q1186-D1203 VanDerWaalsContact CB-OD1 3.25Å; Q1186-D1203 WeakPolarHBondContact CB-OD1 3.35Å; Q1186-D1203 HydrophobicContact CG-CB 4.49Å; Q1186-D1203 PolarHBondContact N-OD1 2.94Å; Q1186-D1203 VanDerWaalsContact N-OD1 3.11Å; Q1186-D1203 PolarHBondContact NE2-OD2 2.77Å |
| 1187 | K | 84.6 | Confident | 78.7 | Confident | 25.2 Ų | 25.2 | 54.9 Ų | 54.9 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139.9 | -177.9 | -58.9 | -62.3 | 170.1 | 168.9 | 0 | 111.8 | F1159 D1160 E1182 L1183 S1184 G1185 I1189 T1201 E1202 F1204 | F1159-K1187 HydrophobicContact CD1-CB 4.28Å; D1160-K1187 WeakPolarHBondContact OD1-CA 3.37Å; D1160-K1187 WeakPolarHBondContact OD2-CD 3.26Å; D1160-K1187 WeakPolarHBondContact OD2-CE 3.47Å; D1160-K1187 IonicContact OD2-NZ 3.14Å; D1160-K1187 PolarHBondContact OD2-NZ 3.1Å; D1160-K1187 VanDerWaalsContact OD2-NZ 3.11Å; E1182-K1187 WeakPolarHBondContact O-CE 3.38Å; E1182-K1187 PolarHBondContact O-NZ 3.12Å; L1183-K1187 VanDerWaalsContact C-CE 3.42Å; L1183-K1187 WeakPolarHBondContact O-CE 3.46Å; L1183-K1187 WeakPolarHBondContact O-CG 3.38Å; S1184-K1187 VanDerWaalsContact O-CE 3.29Å; S1184-K1187 WeakPolarHBondContact O-CE 3.4Å; G1185-K1187 PolarHBondContact O-N 3.28Å; K1187-I1189 HydrophobicContact CB-CD1 4.26Å; K1187-I1189 WeakPolarHBondContact O-CD1 3.35Å; K1187-T1201 CarbonylContact O-C 3.48Å; K1187-T1201 VanDerWaalsContact O-CA 3.27Å; K1187-T1201 WeakPolarHBondContact O-CA 3.26Å; K1187-E1202 PolarHBondContact N-O 3.03Å; K1187-E1202 PolarHBondContact O-N 3.29Å; K1187-F1204 HydrophobicContact CB-CD2 4.19Å; K1187-F1204 HydrophobicContact CB-CE2 3.96Å; K1187-F1204 HydrophobicContact CG-CD2 3.75Å; K1187-F1204 HydrophobicContact CG-CE2 3.95Å |
| 1188 | V | 89.1 | Confident | 78.9 | Confident | 48.6 Ų | 48.6 | 54.2 Ų | 54.2 | 30% | 0.295 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 107 | 170.1 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | D1160 K1190 T1201 | D1160-V1188 PolarHBondContact N-O 3.15Å; D1160-V1188 PolarHBondContact OD1-N 3.05Å; V1188-K1190 HydrophobicContact CG1-CG 4.2Å; V1188-T1201 HydrophobicContact CG2-CG2 4.44Å |
| 1189 | I | 91.3 | Very high | 79.5 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 126.1 | 176.4 | -57.3 | 82.9 | 0 | 0 | 0 | 108 | I1127 I1130 I1145 V1157 S1158 F1159 K1187 S1199 K1200 E1202 F1204 | I1127-I1189 HydrophobicContact CD1-CB 4.38Å; I1127-I1189 HydrophobicContact CD1-CG2 4.07Å; I1130-I1189 HydrophobicContact CD1-CB 4.07Å; I1130-I1189 HydrophobicContact CD1-CD1 3.45Å; I1130-I1189 VanDerWaalsContact CD1-CD1 3.45Å; I1130-I1189 HydrophobicContact CD1-CG1 3.64Å; I1130-I1189 HydrophobicContact CD1-CG2 4.45Å; I1145-I1189 HydrophobicContact CD1-CG2 4.16Å; V1157-I1189 HydrophobicContact CG1-CG2 4.4Å; S1158-I1189 CarbonylContact O-C 3.56Å; S1158-I1189 VanDerWaalsContact O-CA 3.3Å; S1158-I1189 WeakPolarHBondContact O-CA 3.35Å; F1159-I1189 HydrophobicContact CD1-CD1 4.19Å; F1159-I1189 HydrophobicContact CD1-CG1 3.49Å; F1159-I1189 VanDerWaalsContact CD1-CG1 3.48Å; F1159-I1189 HydrophobicContact CD2-CG1 4.45Å; F1159-I1189 HydrophobicContact CD2-CG2 4.45Å; F1159-I1189 HydrophobicContact CE1-CB 4.41Å; F1159-I1189 HydrophobicContact CE1-CD1 4.08Å; F1159-I1189 HydrophobicContact CE1-CG1 3.3Å; F1159-I1189 HydrophobicContact CE1-CG2 4.4Å; F1159-I1189 HydrophobicContact CE2-CG1 4.38Å; F1159-I1189 HydrophobicContact CE2-CG2 4.2Å; F1159-I1189 HydrophobicContact CG-CG1 4.09Å; F1159-I1189 HydrophobicContact CZ-CG1 3.76Å; F1159-I1189 HydrophobicContact CZ-CG2 4.13Å; K1187-I1189 HydrophobicContact CB-CD1 4.26Å; K1187-I1189 WeakPolarHBondContact O-CD1 3.35Å; I1189-S1199 CarbonylContact O-C 3.54Å; I1189-S1199 WeakPolarHBondContact O-CA 3.4Å; I1189-S1199 WeakPolarHBondContact O-CB 3.39Å; I1189-K1200 WeakPolarHBondContact CD1-O 3.29Å; I1189-K1200 PolarHBondContact N-O 3.18Å; I1189-K1200 PolarHBondContact O-N 3.02Å; I1189-E1202 HydrophobicContact CD1-CB 3.93Å; I1189-F1204 HydrophobicContact CD1-CE2 4.24Å |
| 1190 | K | 90.4 | Very high | 80.3 | Confident | 62 Ų | 62 | 57.8 Ų | 57.8 | 27% | 0.27 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 128.5 | 176.8 | -57.9 | 174.6 | -169.2 | 166 | 0 | 109.9 | V1157 S1158 D1161 V1188 I1197 I1198 | V1157-K1190 CarbonylContact C-O 3.56Å; V1157-K1190 WeakPolarHBondContact CA-O 3.33Å; S1158-K1190 PolarHBondContact N-O 3.34Å; S1158-K1190 PolarHBondContact O-N 3.02Å; S1158-K1190 PolarHBondContact OG-O 3Å; D1161-K1190 IonicContact OD1-NZ 2.76Å; D1161-K1190 PolarHBondContact OD1-NZ 3Å; D1161-K1190 IonicContact OD2-NZ 3.15Å; D1161-K1190 PolarHBondContact OD2-NZ 2.87Å; V1188-K1190 HydrophobicContact CG1-CG 4.2Å; K1190-I1197 HydrophobicContact CB-CG2 4.1Å; K1190-I1197 HydrophobicContact CD-CG2 4.38Å; K1190-I1197 HydrophobicContact CG-CG2 4.4Å; K1190-I1198 CarbonylContact C-O 3.54Å; K1190-I1198 WeakPolarHBondContact CA-O 3.37Å |
| 1191 | I | 91 | Very high | 81.5 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 112.2 | 168.2 | -55.2 | 169.3 | 0 | 0 | 0 | 107.9 | I1127 I1145 F1150 L1156 V1157 I1174 Q1193 I1197 I1198 | I1127-I1191 HydrophobicContact CD1-CD1 3.76Å; I1127-I1191 HydrophobicContact CD1-CG1 3.94Å; I1127-I1191 HydrophobicContact CG1-CD1 3.54Å; I1127-I1191 VanDerWaalsContact CG1-CD1 3.47Å; I1127-I1191 HydrophobicContact CG1-CG1 4.27Å; I1145-I1191 HydrophobicContact CG2-CD1 4.25Å; F1150-I1191 HydrophobicContact CD1-CD1 4.13Å; F1150-I1191 HydrophobicContact CD1-CG2 4.47Å; F1150-I1191 HydrophobicContact CE1-CD1 3.44Å; F1150-I1191 VanDerWaalsContact CE1-CD1 3.42Å; F1150-I1191 HydrophobicContact CE2-CD1 4.41Å; F1150-I1191 HydrophobicContact CZ-CD1 3.69Å; L1156-I1191 CarbonylContact O-C 3.56Å; L1156-I1191 VanDerWaalsContact O-CA 3.29Å; L1156-I1191 WeakPolarHBondContact O-CA 3.4Å; V1157-I1191 HydrophobicContact CG1-CG1 4.45Å; V1157-I1191 HydrophobicContact CG2-CG1 4.17Å; V1157-I1191 HydrophobicContact CG2-CG2 4.32Å; I1174-I1191 HydrophobicContact CD1-CD1 3.53Å; I1174-I1191 VanDerWaalsContact CD1-CD1 3.46Å; I1174-I1191 HydrophobicContact CD1-CG1 4.18Å; I1174-I1191 HydrophobicContact CD1-CG2 4.34Å; I1191-Q1193 HydrophobicContact CG2-CG 3.83Å; I1191-I1197 WeakPolarHBondContact O-CA 3.33Å; I1191-I1198 HydrophobicContact CB-CB 4.37Å; I1191-I1198 HydrophobicContact CB-CD1 4.03Å; I1191-I1198 HydrophobicContact CB-CG1 3.67Å; I1191-I1198 HydrophobicContact CD1-CD1 3.9Å; I1191-I1198 HydrophobicContact CD1-CG1 4.29Å; I1191-I1198 HydrophobicContact CG1-CD1 4.47Å; I1191-I1198 HydrophobicContact CG1-CG1 4.34Å; I1191-I1198 PolarHBondContact N-O 3.02Å; I1191-I1198 PolarHBondContact O-N 3.1Å |
| 1192 | Q | 87.1 | Confident | 82.4 | Confident | 96.2 Ų | 96.2 | 55.2 Ų | 55.2 | 45% | 0.45 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 122 | 175.3 | -178.4 | 176.4 | -10.8 | 0 | 0 | 109.6 | S1155 L1156 S1196 I1197 | S1155-Q1192 CarbonylContact C-O 3.54Å; S1155-Q1192 VanDerWaalsContact CA-O 3.28Å; S1155-Q1192 WeakPolarHBondContact CA-O 3.31Å; L1156-Q1192 HydrophobicContact CB-CB 4.39Å; L1156-Q1192 PolarHBondContact N-O 3.02Å; L1156-Q1192 PolarHBondContact O-N 3.08Å; Q1192-S1196 WeakPolarHBondContact CA-O 3.36Å; Q1192-I1197 HydrophobicContact CB-CG1 4.21Å; Q1192-I1197 HydrophobicContact CG-CG1 4.08Å |
| 1193 | Q | 82.2 | Confident | 82.9 | Confident | 2.2 Ų | 2.2 | 56.6 Ų | 56.6 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 117.4 | 179.3 | -1.5 | -172.7 | 19.9 | 0 | 0 | 108.6 | S1097 S1125 R1149 F1150 L1151 S1155 I1191 N1195 S1196 I1198 | S1097-Q1193 PolarHBondContact OG-NE2 2.97Å; S1097-Q1193 PolarHBondContact OG-OE1 3.12Å; S1125-Q1193 PolarHBondContact OG-NE2 3.02Å; S1125-Q1193 VanDerWaalsContact OG-NE2 3.09Å; R1149-Q1193 PolarHBondContact O-NE2 2.95Å; R1149-Q1193 PolarHBondContact O-OE1 2.9Å; F1150-Q1193 VanDerWaalsContact CA-OE1 3.3Å; L1151-Q1193 HydrophobicContact CB-CB 4.34Å; L1151-Q1193 VanDerWaalsContact N-OE1 3.12Å; S1155-Q1193 WeakPolarHBondContact OG-CB 3.27Å; S1155-Q1193 VanDerWaalsContact OG-CG 3.29Å; S1155-Q1193 WeakPolarHBondContact OG-CG 3.44Å; S1155-Q1193 PolarHBondContact OG-OE1 3.42Å; I1191-Q1193 HydrophobicContact CG2-CG 3.83Å; Q1193-N1195 PolarHBondContact O-N 3Å; Q1193-S1196 PolarHBondContact N-O 2.98Å; Q1193-S1196 PolarHBondContact O-N 2.9Å; Q1193-S1196 VanDerWaalsContact O-O 3.08Å; Q1193-S1196 PolarHBondContact O-OG 2.97Å; Q1193-S1196 VanDerWaalsContact O-OG 3.06Å; Q1193-I1198 VanDerWaalsContact NE2-CD1 3.3Å |
| 1194 | H | 73.4 | Confident | 83.2 | Confident | 62 Ų | 62 | 57.5 Ų | 57.5 | 29% | 0.287 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | -116.1 | -169.6 | -130.7 | 80.5 | 0 | 0 | 0 | 112.2 | F1067 S1097 L1099 L1151 | F1067-H1194 AromaticContact CD2-CD2 3.83Å; F1067-H1194 AromaticContact CD2-NE2 3.48Å; F1067-H1194 VanDerWaalsContact CD2-NE2 3.34Å; F1067-H1194 WeakPolarHBondContact CD2-NE2 3.28Å; F1067-H1194 HydrophobicContact CE2-CB 4.42Å; F1067-H1194 AromaticContact CE2-CD2 3.28Å; F1067-H1194 WeakPolarHBondContact CE2-CD2 3.27Å; F1067-H1194 AromaticContact CE2-ND1 3.7Å; F1067-H1194 AromaticContact CE2-NE2 3.46Å; F1067-H1194 VanDerWaalsContact CE2-NE2 3.33Å; F1067-H1194 WeakPolarHBondContact CE2-NE2 3.26Å; F1067-H1194 HydrophobicContact CZ-CB 4.38Å; F1067-H1194 AromaticContact CZ-CD2 3.9Å; F1067-H1194 AromaticContact CZ-ND1 3.78Å; S1097-H1194 PolarHBondContact O-CE1 3.01Å; S1097-H1194 PolarHBondContact O-ND1 2.94Å; L1099-H1194 PolarHBondContact O-NE2 2.91Å; L1099-H1194 VanDerWaalsContact O-NE2 3.13Å; L1151-H1194 VanDerWaalsContact CD2-CE1 3.43Å; L1151-H1194 WeakPolarHBondContact CD2-CE1 3.37Å |
| 1195 | N | 70.8 | Confident | 82.6 | Confident | 151.8 Ų | 151.8 | 59.1 Ų | 59.1 | 81% | 0.812 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 10.2 | 176.5 | -67.2 | -16 | 0 | 0 | 0 | 113 | Q1193 | Q1193-N1195 PolarHBondContact O-N 3Š|
| 1196 | S | 78.3 | Confident | 81.2 | Confident | 18.4 Ų | 18.4 | 61.5 Ų | 61.5 | 13% | 0.129 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 146.8 | 178.1 | 57.1 | 0 | 0 | 0 | 0 | 111.6 | N1122 Q1192 Q1193 | N1122-S1196 WeakPolarHBondContact ND2-CB 3.34Å; N1122-S1196 PolarHBondContact ND2-OG 2.98Å; Q1192-S1196 WeakPolarHBondContact CA-O 3.36Å; Q1193-S1196 PolarHBondContact N-O 2.98Å; Q1193-S1196 PolarHBondContact O-N 2.9Å; Q1193-S1196 VanDerWaalsContact O-O 3.08Å; Q1193-S1196 PolarHBondContact O-OG 2.97Å; Q1193-S1196 VanDerWaalsContact O-OG 3.06Å |
| 1197 | I | 85.4 | Confident | 79.3 | Confident | 105.6 Ų | 105.6 | 61.4 Ų | 61.4 | 54% | 0.542 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 123 | 174.7 | -59.2 | 174 | 0 | 0 | 0 | 107.3 | K1190 I1191 Q1192 | K1190-I1197 HydrophobicContact CB-CG2 4.1Å; K1190-I1197 HydrophobicContact CD-CG2 4.38Å; K1190-I1197 HydrophobicContact CG-CG2 4.4Å; I1191-I1197 WeakPolarHBondContact O-CA 3.33Å; Q1192-I1197 HydrophobicContact CB-CG1 4.21Å; Q1192-I1197 HydrophobicContact CG-CG1 4.08Å |
| 1198 | I | 88.2 | Confident | 77.2 | Confident | 18.6 Ų | 18.6 | 68.8 Ų | 68.8 | 10% | 0.095 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 135 | 171 | -34.7 | 163.3 | 0 | 0 | 0 | 107.2 | S1125 I1127 F1150 K1190 I1191 Q1193 | S1125-I1198 VanDerWaalsContact CB-CD1 3.48Å; S1125-I1198 VanDerWaalsContact O-CG2 3.26Å; S1125-I1198 WeakPolarHBondContact O-CG2 3.4Å; S1125-I1198 WeakPolarHBondContact OG-CD1 3.34Å; I1127-I1198 HydrophobicContact CB-CG2 4.5Å; I1127-I1198 HydrophobicContact CD1-CG2 4.34Å; I1127-I1198 HydrophobicContact CG1-CB 4.43Å; I1127-I1198 HydrophobicContact CG1-CD1 4Å; I1127-I1198 HydrophobicContact CG1-CG1 4.21Å; I1127-I1198 HydrophobicContact CG1-CG2 3.98Å; F1150-I1198 HydrophobicContact CD1-CD1 4.11Å; F1150-I1198 HydrophobicContact CE1-CD1 3.9Å; K1190-I1198 CarbonylContact C-O 3.54Å; K1190-I1198 WeakPolarHBondContact CA-O 3.37Å; I1191-I1198 HydrophobicContact CB-CB 4.37Å; I1191-I1198 HydrophobicContact CB-CD1 4.03Å; I1191-I1198 HydrophobicContact CB-CG1 3.67Å; I1191-I1198 HydrophobicContact CD1-CD1 3.9Å; I1191-I1198 HydrophobicContact CD1-CG1 4.29Å; I1191-I1198 HydrophobicContact CG1-CD1 4.47Å; I1191-I1198 HydrophobicContact CG1-CG1 4.34Å; I1191-I1198 PolarHBondContact N-O 3.02Å; I1191-I1198 PolarHBondContact O-N 3.1Å; Q1193-I1198 VanDerWaalsContact NE2-CD1 3.3Å |
| 1199 | S | 89.6 | Confident | 75 | Confident | 77.6 Ų | 77.6 | 69.4 Ų | 69.4 | 54% | 0.543 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 144.8 | 177.6 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | I1189 | I1189-S1199 CarbonylContact O-C 3.54Å; I1189-S1199 WeakPolarHBondContact O-CA 3.4Å; I1189-S1199 WeakPolarHBondContact O-CB 3.39Å |
| 1200 | K | 89.5 | Confident | 73.1 | Confident | 52.6 Ų | 52.6 | 76.1 Ų | 76.1 | 23% | 0.229 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.9 | 172 | -174.9 | -178 | -175.2 | -157.7 | 0 | 108.8 | I1127 K1128 I1130 I1189 E1202 | I1127-K1200 HydrophobicContact CB-CB 3.89Å; I1127-K1200 HydrophobicContact CB-CD 4.28Å; I1127-K1200 HydrophobicContact CD1-CB 4.06Å; I1127-K1200 HydrophobicContact CG2-CB 4.02Å; I1127-K1200 HydrophobicContact CG2-CD 3.84Å; K1128-K1200 PolarHBondContact O-NZ 3.05Å; I1130-K1200 HydrophobicContact CD1-CB 4.37Å; I1130-K1200 HydrophobicContact CD1-CD 4.08Å; I1130-K1200 HydrophobicContact CD1-CG 4.42Å; I1189-K1200 WeakPolarHBondContact CD1-O 3.29Å; I1189-K1200 PolarHBondContact N-O 3.18Å; I1189-K1200 PolarHBondContact O-N 3.02Å; K1200-E1202 WeakPolarHBondContact CE-OE2 3.37Å; K1200-E1202 IonicContact NZ-OE1 3.72Å; K1200-E1202 IonicContact NZ-OE2 3.62Å; K1200-E1202 PolarHBondContact NZ-OE2 2.96Å |
| 1201 | T | 88.2 | Confident | 71.9 | Confident | 70.4 Ų | 70.4 | 74.1 Ų | 74.1 | 43% | 0.432 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 130.2 | 173.9 | -54.5 | 0 | 0 | 0 | 0 | 109.3 | Q1186 K1187 V1188 | Q1186-T1201 HydrophobicContact CG-CG2 3.36Å; K1187-T1201 CarbonylContact O-C 3.48Å; K1187-T1201 VanDerWaalsContact O-CA 3.27Å; K1187-T1201 WeakPolarHBondContact O-CA 3.26Å; V1188-T1201 HydrophobicContact CG2-CG2 4.44Å |
| 1202 | E | 84.4 | Confident | 71.1 | Confident | 57.8 Ų | 57.8 | 74.4 Ų | 74.4 | 27% | 0.27 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 147.8 | -178.6 | -156.2 | 72.4 | -120.3 | 0 | 0 | 109.7 | I1130 Q1186 K1187 I1189 K1200 F1204 | I1130-E1202 HydrophobicContact CB-CG 4.48Å; I1130-E1202 HydrophobicContact CD1-CB 4.2Å; Q1186-E1202 CarbonylContact C-O 3.57Å; Q1186-E1202 WeakPolarHBondContact CA-O 3.38Å; K1187-E1202 PolarHBondContact N-O 3.03Å; K1187-E1202 PolarHBondContact O-N 3.29Å; I1189-E1202 HydrophobicContact CD1-CB 3.93Å; K1200-E1202 WeakPolarHBondContact CE-OE2 3.37Å; K1200-E1202 IonicContact NZ-OE1 3.72Å; K1200-E1202 IonicContact NZ-OE2 3.62Å; K1200-E1202 PolarHBondContact NZ-OE2 2.96Å; E1202-F1204 HydrophobicContact CB-CE2 4.01Å; E1202-F1204 HydrophobicContact CB-CZ 4.21Å; E1202-F1204 HydrophobicContact CG-CE2 4.41Å; E1202-F1204 HydrophobicContact CG-CZ 4.29Å |
| 1203 | D | 79.7 | Confident | 70.6 | Confident | 101 Ų | 101 | 73.1 Ų | 73.1 | 54% | 0.54 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 122.2 | -177.7 | -141 | -16.3 | 0 | 0 | 0 | 111.2 | G1185 Q1186 T1205 | G1185-D1203 WeakPolarHBondContact CA-OD1 3.43Å; Q1186-D1203 WeakPolarHBondContact CA-OD1 3.26Å; Q1186-D1203 HydrophobicContact CB-CB 4.47Å; Q1186-D1203 VanDerWaalsContact CB-OD1 3.25Å; Q1186-D1203 WeakPolarHBondContact CB-OD1 3.35Å; Q1186-D1203 HydrophobicContact CG-CB 4.49Å; Q1186-D1203 PolarHBondContact N-OD1 2.94Å; Q1186-D1203 VanDerWaalsContact N-OD1 3.11Å; Q1186-D1203 PolarHBondContact NE2-OD2 2.77Å; D1203-T1205 PolarHBondContact O-N 2.94Å; D1203-T1205 WeakPolarHBondContact OD1-CB 3.34Å; D1203-T1205 PolarHBondContact OD1-N 2.04Å; D1203-T1205 VanDerWaalsContact OD1-N 3.09Å; D1203-T1205 PolarHBondContact OD1-OG1 3.43Å; D1203-T1205 PolarHBondContact OD2-OG1 2.8Å |
| 1204 | F | 74.4 | Confident | 70.7 | Confident | 22.8 Ų | 22.8 | 73.6 Ų | 73.6 | 10% | 0.1 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 113.1 | -175.5 | -63.2 | -88.4 | 0 | 0 | 0 | 112.3 | I1130 Q1132 F1159 L1183 G1185 K1187 I1189 E1202 A1206 | I1130-F1204 HydrophobicContact CG2-CE1 4.32Å; I1130-F1204 HydrophobicContact CG2-CZ 4.07Å; Q1132-F1204 HydrophobicContact CG-CD1 3.57Å; Q1132-F1204 HydrophobicContact CG-CE1 4.03Å; F1159-F1204 HydrophobicContact CD1-CE2 4.28Å; F1159-F1204 HydrophobicContact CD1-CZ 4.46Å; F1159-F1204 HydrophobicContact CE1-CE2 4.25Å; F1159-F1204 AromaticContact CE1-CZ 3.81Å; F1159-F1204 HydrophobicContact CE1-CZ 4.19Å; L1183-F1204 HydrophobicContact CB-CB 4.43Å; L1183-F1204 HydrophobicContact CB-CD2 4.4Å; L1183-F1204 HydrophobicContact CB-CG 4.28Å; L1183-F1204 HydrophobicContact CD2-CD1 4.16Å; L1183-F1204 HydrophobicContact CD2-CD2 4.18Å; L1183-F1204 HydrophobicContact CD2-CE1 4.17Å; L1183-F1204 HydrophobicContact CD2-CE2 3.93Å; L1183-F1204 HydrophobicContact CD2-CG 4.16Å; L1183-F1204 HydrophobicContact CD2-CZ 3.93Å; L1183-F1204 VanDerWaalsContact O-CB 3.27Å; L1183-F1204 WeakPolarHBondContact O-CB 3.4Å; L1183-F1204 WeakPolarHBondContact O-CD2 3.39Å; L1183-F1204 WeakPolarHBondContact O-CG 3.39Å; G1185-F1204 PolarHBondContact N-O 3.1Å; G1185-F1204 VanDerWaalsContact N-O 3.07Å; G1185-F1204 PolarHBondContact O-N 3.38Å; G1185-F1204 VanDerWaalsContact O-N 3.09Å; K1187-F1204 HydrophobicContact CB-CD2 4.19Å; K1187-F1204 HydrophobicContact CB-CE2 3.96Å; K1187-F1204 HydrophobicContact CG-CD2 3.75Å; K1187-F1204 HydrophobicContact CG-CE2 3.95Å; I1189-F1204 HydrophobicContact CD1-CE2 4.24Å; E1202-F1204 HydrophobicContact CB-CE2 4.01Å; E1202-F1204 HydrophobicContact CB-CZ 4.21Å; E1202-F1204 HydrophobicContact CG-CE2 4.41Å; E1202-F1204 HydrophobicContact CG-CZ 4.29Å; F1204-A1206 PolarHBondContact O-N 2.85Å |
| 1205 | T | 57.8 | Low | 71.2 | Confident | 110.2 Ų | 110.2 | 74.3 Ų | 74.3 | 68% | 0.676 | 43% | 0.427 | S | S | * | . | trans | -93.9 | 112.7 | -179.4 | 49 | 0 | 0 | 0 | 0 | 113.7 | G1185 D1203 I1207 | G1185-T1205 VanDerWaalsContact CA-CG2 3.44Å; D1203-T1205 PolarHBondContact O-N 2.94Å; D1203-T1205 WeakPolarHBondContact OD1-CB 3.34Å; D1203-T1205 PolarHBondContact OD1-N 2.04Å; D1203-T1205 VanDerWaalsContact OD1-N 3.09Å; D1203-T1205 PolarHBondContact OD1-OG1 3.43Å; D1203-T1205 PolarHBondContact OD2-OG1 2.8Å; T1205-I1207 PolarHBondContact O-N 3.06Å | ||
| 1206 | A | 47.4 | Very low | 72.1 | Confident | 77.4 Ų | 77.4 | 68.8 Ų | 68.8 | 64% | 0.64 | 40% | 0.401 | S | S | * | . | trans | -85.3 | 119.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1204 Q1208 | F1204-A1206 PolarHBondContact O-N 2.85Å; A1206-Q1208 PolarHBondContact O-N 2.84Å | ||
| 1207 | I | 43.1 | Very low | 72.6 | Confident | 129.2 Ų | 129.2 | 69.4 Ų | 69.4 | 66% | 0.663 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -95.3 | 108.3 | 175.4 | -52.2 | 169.5 | 0 | 0 | 0 | 110.7 | T1205 A1209 V1285 | T1205-I1207 PolarHBondContact O-N 3.06Å; I1207-A1209 VanDerWaalsContact C-N 3.32Å; I1207-A1209 PolarHBondContact O-N 3.42Å; I1207-V1285 HydrophobicContact CB-CG2 4.14Å; I1207-V1285 HydrophobicContact CG2-CG2 4.42Å; I1207-V1285 WeakPolarHBondContact O-CB 3.33Å; I1207-V1285 VanDerWaalsContact O-CG1 3.26Å; I1207-V1285 WeakPolarHBondContact O-CG1 3.3Å; I1207-V1285 VanDerWaalsContact O-CG2 3.28Å; I1207-V1285 WeakPolarHBondContact O-CG2 3.48Å |
| 1208 | Q | 40.7 | Very low | 72.6 | Confident | 180.2 Ų | 180.2 | 69.3 Ų | 69.3 | 84% | 0.842 | 40% | 0.401 | S | S | * | . | trans | -89.7 | 114.4 | 174.5 | -123.7 | -179.8 | 3.3 | 0 | 0 | 111.8 | A1206 N1210 V1285 | A1206-Q1208 PolarHBondContact O-N 2.84Å; Q1208-N1210 PolarHBondContact O-N 2.84Å; Q1208-V1285 HydrophobicContact CG-CG1 4.23Å | ||
| 1209 | A | 42.6 | Very low | 72.3 | Confident | 62.4 Ų | 62.4 | 71.9 Ų | 71.9 | 52% | 0.516 | 41% | 0.413 | S | S | . | . | trans | -83.1 | 126.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | I1207 G1211 V1285 | I1207-A1209 VanDerWaalsContact C-N 3.32Å; I1207-A1209 PolarHBondContact O-N 3.42Å; A1209-G1211 PolarHBondContact O-N 3Å; A1209-V1285 HydrophobicContact CB-CB 3.71Å; A1209-V1285 HydrophobicContact CB-CG1 3.85Å; A1209-V1285 HydrophobicContact CB-CG2 3.64Å | ||
| 1210 | N | 51 | Low | 71.6 | Confident | 139 Ų | 139 | 73.3 Ų | 73.3 | 74% | 0.743 | 42% | 0.418 | S | S | * | . | trans | -110.9 | 80.4 | 179.9 | -101.9 | -18.5 | 0 | 0 | 0 | 112 | Q1208 R1237 | Q1208-N1210 PolarHBondContact O-N 2.84Å; N1210-R1237 VanDerWaalsContact O-CZ 3.27Å; N1210-R1237 PolarHBondContact O-NH1 2.78Å; N1210-R1237 VanDerWaalsContact OD1-CZ 3.23Å; N1210-R1237 PolarHBondContact OD1-NH1 3.22Å; N1210-R1237 PolarHBondContact OD1-NH2 3.24Å | ||
| 1211 | G | 63.9 | Low | 71 | Confident | 20.4 Ų | 20.4 | 75.4 Ų | 75.4 | 21% | 0.21 | 43% | 0.429 | C | S | . | . | trans | -116.5 | 177.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | A1209 R1237 I1287 | A1209-G1211 PolarHBondContact O-N 3Å; G1211-R1237 PolarHBondContact O-NE 3.35Å; G1211-R1237 PolarHBondContact O-NH2 3.18Å; G1211-R1237 VanDerWaalsContact O-NH2 3.15Å; G1211-I1287 VanDerWaalsContact C-CD1 3.49Å; G1211-I1287 VanDerWaalsContact CA-CD1 3.46Å | ||
| 1212 | P | 74.4 | Confident | 70.6 | Confident | 7.6 Ų | 7.6 | 75.1 Ų | 75.1 | 5% | 0.049 | 42% | 0.424 | C | S | . | . | trans | -60.7 | 146.1 | 176.5 | 21.1 | -32.5 | 0 | 0 | 0 | 114.2 | L1236 R1237 F1238 M1242 L1279 I1287 | P1212-L1236 CarbonylContact C-O 3.54Å; P1212-L1236 VanDerWaalsContact CA-O 3.29Å; P1212-L1236 WeakPolarHBondContact CA-O 3.29Å; P1212-R1237 WeakPolarHBondContact CB-O 3.07Å; P1212-F1238 HydrophobicContact CB-CD1 3.88Å; P1212-F1238 HydrophobicContact CB-CE1 4.31Å; P1212-M1242 HydrophobicContact CB-CE 4.49Å; P1212-M1242 HydrophobicContact CB-SD 4.24Å; P1212-M1242 HydrophobicContact CG-CE 4.5Å; P1212-M1242 HydrophobicContact CG-SD 4.23Å; P1212-L1279 HydrophobicContact CB-CD1 4.12Å; P1212-L1279 HydrophobicContact CG-CB 4.27Å; P1212-L1279 HydrophobicContact CG-CD1 4.21Å; P1212-I1287 HydrophobicContact CB-CD1 4.46Å; P1212-I1287 VanDerWaalsContact CD-CD1 3.49Å; P1212-I1287 HydrophobicContact CG-CD1 3.71Å; P1212-I1287 VanDerWaalsContact N-CD1 3.31Å; P1212-I1287 VanDerWaalsContact O-CD1 3.25Å; P1212-I1287 WeakPolarHBondContact O-CD1 3.4Å; P1212-I1287 WeakPolarHBondContact O-CG2 3.18Å | ||
| 1213 | V | 77.6 | Confident | 70.5 | Confident | 68 Ų | 68 | 72.4 Ų | 72.4 | 41% | 0.412 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 133.6 | -179.2 | 178.9 | 0 | 0 | 0 | 0 | 110.2 | G1235 L1236 F1238 | V1213-G1235 CarbonylContact O-C 3.46Å; V1213-G1235 WeakPolarHBondContact O-CA 3.31Å; V1213-L1236 PolarHBondContact N-O 3.08Å; V1213-L1236 PolarHBondContact O-N 3.2Å; V1213-F1238 VanDerWaalsContact O-CE1 3.29Å; V1213-F1238 WeakPolarHBondContact O-CE1 3.38Å |
| 1214 | I | 84.6 | Confident | 70.7 | Confident | 11.6 Ų | 11.6 | 67.8 Ų | 67.8 | 6% | 0.059 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 135.8 | 172.4 | -56.5 | -177 | 0 | 0 | 0 | 109.4 | V1217 I1233 F1238 I1277 L1279 F1291 | I1214-V1217 HydrophobicContact CG2-CG2 3.93Å; I1214-I1233 HydrophobicContact CB-CG2 4.4Å; I1214-I1233 HydrophobicContact CD1-CG2 3.94Å; I1214-I1233 HydrophobicContact CG1-CG2 3.98Å; I1214-I1233 HydrophobicContact CG2-CG2 3.71Å; I1214-F1238 HydrophobicContact CG1-CE1 4.31Å; I1214-F1238 HydrophobicContact CG1-CZ 4.27Å; I1214-I1277 HydrophobicContact CD1-CB 4Å; I1214-I1277 HydrophobicContact CD1-CD1 4.39Å; I1214-I1277 HydrophobicContact CD1-CG2 3.63Å; I1214-L1279 HydrophobicContact CD1-CD1 3.9Å; I1214-L1279 HydrophobicContact CD1-CD2 4.24Å; I1214-L1279 HydrophobicContact CD1-CG 3.97Å; I1214-L1279 HydrophobicContact CG1-CD1 3.49Å; I1214-L1279 VanDerWaalsContact CG1-CD1 3.46Å; I1214-L1279 HydrophobicContact CG1-CD2 4.46Å; I1214-L1279 HydrophobicContact CG1-CG 4.13Å; I1214-F1291 HydrophobicContact CB-CD2 3.75Å; I1214-F1291 HydrophobicContact CB-CE2 4.11Å; I1214-F1291 HydrophobicContact CB-CG 4.41Å; I1214-F1291 HydrophobicContact CG2-CB 4.27Å; I1214-F1291 HydrophobicContact CG2-CD1 4.38Å; I1214-F1291 HydrophobicContact CG2-CD2 3.39Å; I1214-F1291 VanDerWaalsContact CG2-CD2 3.41Å; I1214-F1291 HydrophobicContact CG2-CE2 3.8Å; I1214-F1291 HydrophobicContact CG2-CG 3.79Å; I1214-F1291 HydrophobicContact CG2-CZ 4.45Å; I1214-F1291 VanDerWaalsContact O-CE2 3.27Å; I1214-F1291 WeakPolarHBondContact O-CE2 3.32Å |
| 1215 | T | 84.1 | Confident | 71.1 | Confident | 76.8 Ų | 76.8 | 66.7 Ų | 66.7 | 47% | 0.471 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | -28.6 | 176.3 | 57.1 | 0 | 0 | 0 | 0 | 113.3 | N1234 G1235 L1236 F1291 | T1215-N1234 PolarHBondContact N-O 3Å; T1215-N1234 VanDerWaalsContact OG1-C 3.26Å; T1215-N1234 PolarHBondContact OG1-O 2.89Å; T1215-N1234 VanDerWaalsContact OG1-O 3.14Å; T1215-G1235 VanDerWaalsContact OG1-CA 3.3Å; T1215-G1235 WeakPolarHBondContact OG1-CA 3.32Å; T1215-G1235 PolarHBondContact OG1-N 2.89Å; T1215-L1236 HydrophobicContact CG2-CG 4.45Å; T1215-F1291 VanDerWaalsContact C-CZ 3.45Å; T1215-F1291 WeakPolarHBondContact O-CZ 3.25Å |
| 1216 | S | 88.6 | Confident | 72.1 | Confident | 37 Ų | 37 | 61.8 Ų | 61.8 | 26% | 0.259 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 157.1 | 169.3 | 73.5 | 0 | 0 | 0 | 0 | 112.2 | E1218 N1234 | S1216-E1218 PolarHBondContact OG-OE1 2.9Å; S1216-N1234 PolarHBondContact N-O 3.01Å; S1216-N1234 VanDerWaalsContact N-O 3.14Å; S1216-N1234 PolarHBondContact O-N 2.8Å; S1216-N1234 WeakPolarHBondContact OG-CB 3.28Å; S1216-N1234 PolarHBondContact OG-ND2 2.97Å |
| 1217 | V | 89.1 | Confident | 73.3 | Confident | 32 Ų | 32 | 58.1 Ų | 58.1 | 19% | 0.194 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 123.7 | 172.6 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | I1214 I1231 I1232 I1233 I1277 F1291 V1293 | I1214-V1217 HydrophobicContact CG2-CG2 3.93Å; V1217-I1231 HydrophobicContact CG1-CG2 3.51Å; V1217-I1231 VanDerWaalsContact CG1-CG2 3.48Å; V1217-I1232 CarbonylContact C-O 3.41Å; V1217-I1232 WeakPolarHBondContact CA-O 3.37Å; V1217-I1233 HydrophobicContact CG2-CG1 4.34Å; V1217-I1233 HydrophobicContact CG2-CG2 4.29Å; V1217-I1277 HydrophobicContact CG1-CD1 4.08Å; V1217-I1277 HydrophobicContact CG2-CD1 3.65Å; V1217-F1291 HydrophobicContact CB-CB 4.38Å; V1217-F1291 HydrophobicContact CB-CD1 4.35Å; V1217-F1291 HydrophobicContact CG2-CB 3.52Å; V1217-F1291 VanDerWaalsContact CG2-CB 3.49Å; V1217-F1291 HydrophobicContact CG2-CD1 4Å; V1217-F1291 HydrophobicContact CG2-CG 3.89Å; V1217-V1293 HydrophobicContact CG1-CG2 4.3Å |
| 1218 | E | 86.3 | Confident | 74.8 | Confident | 102 Ų | 102 | 56.2 Ų | 56.2 | 48% | 0.477 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 114.1 | 178.9 | -68.7 | 172.5 | -158.4 | 0 | 0 | 109.7 | S1216 I1231 I1232 N1234 | S1216-E1218 PolarHBondContact OG-OE1 2.9Å; E1218-I1231 WeakPolarHBondContact O-CA 3.43Å; E1218-I1232 HydrophobicContact CB-CB 4.27Å; E1218-I1232 PolarHBondContact N-O 2.94Å; E1218-I1232 PolarHBondContact O-N 2.85Å; E1218-I1232 VanDerWaalsContact O-N 3.09Å; E1218-N1234 PolarHBondContact OE1-ND2 3.07Å; E1218-N1234 VanDerWaalsContact OE1-ND2 3.14Å |
| 1219 | Q | 81.4 | Confident | 76.8 | Confident | 73 Ų | 73 | 47.9 Ų | 47.9 | 34% | 0.341 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 114.7 | 171.9 | 17.9 | -174.1 | -50.2 | 0 | 0 | 109.4 | Q1221 I1231 T1294 | Q1219-Q1221 VanDerWaalsContact C-N 3.26Å; Q1219-Q1221 PolarHBondContact O-N 2.92Å; Q1219-I1231 HydrophobicContact CG-CG1 4.34Å; Q1219-I1231 HydrophobicContact CG-CG2 4.29Å; Q1219-T1294 PolarHBondContact NE2-O 2.93Å; Q1219-T1294 PolarHBondContact NE2-OG1 2.93Å |
| 1220 | T | 74.8 | Confident | 78.8 | Confident | 107 Ų | 107 | 50.2 Ų | 50.2 | 66% | 0.656 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -71.4 | -26.4 | 178 | 50.7 | 0 | 0 | 0 | 0 | 112.7 | Q1230 | T1220-Q1230 PolarHBondContact OG1-O 2.91Š|
| 1221 | Q | 76.6 | Confident | 80.6 | Confident | 98.2 Ų | 98.2 | 43.6 Ų | 43.6 | 46% | 0.459 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -149.4 | 161.6 | 173.1 | 62.9 | -176.5 | 17.3 | 0 | 0 | 108.7 | Q1219 A1223 T1229 | Q1219-Q1221 VanDerWaalsContact C-N 3.26Å; Q1219-Q1221 PolarHBondContact O-N 2.92Å; Q1221-A1223 PolarHBondContact O-N 3.29Å; Q1221-T1229 HydrophobicContact CG-CG2 3.49Å; Q1221-T1229 VanDerWaalsContact CG-CG2 3.47Å; Q1221-T1229 PolarHBondContact NE2-OG1 3.09Å; Q1221-T1229 WeakPolarHBondContact O-CG2 3.26Å |
| 1222 | I | 80.1 | Confident | 81.9 | Confident | 64 Ų | 64 | 44.6 Ų | 44.6 | 33% | 0.328 | 24% | 0.243 | S | C | . | . | P | Polyproline II helix | trans | -65 | 137.9 | 176.6 | -65.5 | 167.3 | 0 | 0 | 0 | 109.6 | S1224 T1229 T1294 K1296 E1320 | I1222-S1224 PolarHBondContact O-N 3.12Å; I1222-T1229 PolarHBondContact O-OG1 2.81Å; I1222-T1294 HydrophobicContact CG2-CG2 4.29Å; I1222-K1296 HydrophobicContact CD1-CD 4.19Å; I1222-K1296 HydrophobicContact CG2-CB 3.75Å; I1222-K1296 HydrophobicContact CG2-CD 4.13Å; I1222-K1296 HydrophobicContact CG2-CG 3.9Å; I1222-E1320 HydrophobicContact CD1-CG 4.5Å; I1222-E1320 WeakPolarHBondContact CD1-OE1 3.39Å; I1222-E1320 VanDerWaalsContact CD1-OE2 3.22Å; I1222-E1320 WeakPolarHBondContact CD1-OE2 3.39Å; I1222-E1320 HydrophobicContact CG2-CG 4.49Å |
| 1223 | A | 82.9 | Confident | 82.7 | Confident | 0.2 Ų | 0.2 | 44.2 Ų | 44.2 | 0% | 0.002 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 131 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q1221 T1229 A1266 V1293 T1294 Y1295 K1296 | Q1221-A1223 PolarHBondContact O-N 3.29Å; A1223-T1229 HydrophobicContact CB-CG2 4.48Å; A1223-A1266 HydrophobicContact CB-CB 3.99Å; A1223-V1293 HydrophobicContact CB-CG1 3.82Å; A1223-T1294 WeakPolarHBondContact CB-O 3.01Å; A1223-T1294 PolarHBondContact N-O 2.99Å; A1223-T1294 VanDerWaalsContact N-O 3.14Å; A1223-Y1295 HydrophobicContact CB-CD1 3.68Å; A1223-Y1295 HydrophobicContact CB-CD2 4.29Å; A1223-Y1295 HydrophobicContact CB-CE1 3.72Å; A1223-Y1295 HydrophobicContact CB-CE2 4.31Å; A1223-Y1295 HydrophobicContact CB-CG 4.01Å; A1223-Y1295 CarbonylContact O-C 3.47Å; A1223-Y1295 VanDerWaalsContact O-CA 3.28Å; A1223-Y1295 WeakPolarHBondContact O-CA 3.18Å; A1223-K1296 PolarHBondContact O-N 2.91Å; A1223-K1296 VanDerWaalsContact O-N 3.07Å |
| 1224 | S | 83 | Confident | 83.3 | Confident | 5 Ų | 5 | 42.2 Ų | 42.2 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 144.2 | 167.1 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | I1222 S1226 G1227 T1229 Y1295 G1321 N1323 | I1222-S1224 PolarHBondContact O-N 3.12Å; S1224-S1226 PolarHBondContact O-N 2.9Å; S1224-S1226 VanDerWaalsContact O-N 3.13Å; S1224-S1226 PolarHBondContact OG-N 3.01Å; S1224-G1227 WeakPolarHBondContact O-CA 3.29Å; S1224-G1227 PolarHBondContact O-N 2.94Å; S1224-T1229 PolarHBondContact N-OG1 3.43Å; S1224-Y1295 VanDerWaalsContact O-CD1 3.24Å; S1224-Y1295 WeakPolarHBondContact O-CD1 3.31Å; S1224-Y1295 VanDerWaalsContact O-CE1 3.27Å; S1224-Y1295 WeakPolarHBondContact O-CE1 3.38Å; S1224-G1321 VanDerWaalsContact CB-O 3.24Å; S1224-G1321 WeakPolarHBondContact CB-O 3.35Å; S1224-G1321 PolarHBondContact OG-O 2.96Å; S1224-N1323 PolarHBondContact OG-ND2 3Å; S1224-N1323 VanDerWaalsContact OG-ND2 3.14Å |
| 1225 | V | 83.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -21.7 | 171 | -65.9 | 0 | 0 | 0 | 0 | 113.6 | G1227 V1268 Q1269 N1272 F1297 S1484 | V1225-G1227 PolarHBondContact O-N 2.85Å; V1225-V1268 CarbonylContact O-C 3.53Å; V1225-V1268 WeakPolarHBondContact O-CA 3.4Å; V1225-V1268 WeakPolarHBondContact O-CG1 3.43Å; V1225-Q1269 HydrophobicContact CB-CB 4.38Å; V1225-Q1269 WeakPolarHBondContact CB-O 3.33Å; V1225-Q1269 PolarHBondContact O-N 3Å; V1225-Q1269 VanDerWaalsContact O-O 3.09Å; V1225-N1272 VanDerWaalsContact CG1-OD1 3.28Å; V1225-N1272 WeakPolarHBondContact CG1-OD1 3.38Å; V1225-F1297 HydrophobicContact CB-CB 4.23Å; V1225-F1297 HydrophobicContact CG1-CB 3.78Å; V1225-F1297 HydrophobicContact CG2-CB 3.46Å; V1225-F1297 VanDerWaalsContact CG2-CB 3.46Å; V1225-F1297 HydrophobicContact CG2-CD1 3.61Å; V1225-F1297 HydrophobicContact CG2-CD2 4.29Å; V1225-F1297 HydrophobicContact CG2-CE1 4.39Å; V1225-F1297 HydrophobicContact CG2-CG 3.55Å; V1225-F1297 VanDerWaalsContact CG2-CG 3.46Å; V1225-S1484 WeakPolarHBondContact CG2-OG 3.21Å |
| 1226 | S | 78.1 | Confident | 83.3 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 4.2 | 171 | -51.1 | 0 | 0 | 0 | 0 | 113.8 | S1224 V1268 N1323 T1481 | S1224-S1226 PolarHBondContact O-N 2.9Å; S1224-S1226 VanDerWaalsContact O-N 3.13Å; S1224-S1226 PolarHBondContact OG-N 3.01Å; S1226-V1268 WeakPolarHBondContact O-CG1 3.38Å; S1226-V1268 WeakPolarHBondContact O-CG2 3.23Å; S1226-N1323 WeakPolarHBondContact CB-ND2 3.24Å; S1226-N1323 PolarHBondContact OG-ND2 2.94Å; S1226-T1481 VanDerWaalsContact OG-CB 3.3Å; S1226-T1481 WeakPolarHBondContact OG-CB 3.4Å; S1226-T1481 VanDerWaalsContact OG-CG2 3.24Å; S1226-T1481 WeakPolarHBondContact OG-CG2 3.39Å; S1226-T1481 PolarHBondContact OG-OG1 3.1Å; S1226-T1481 VanDerWaalsContact OG-OG1 3.1Å |
| 1227 | G | 73.5 | Confident | 82.9 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | trans | 79.7 | -151 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | S1224 V1225 T1229 A1266 | S1224-G1227 WeakPolarHBondContact O-CA 3.29Å; S1224-G1227 PolarHBondContact O-N 2.94Å; V1225-G1227 PolarHBondContact O-N 2.85Å; G1227-T1229 VanDerWaalsContact C-N 3.28Å; G1227-T1229 PolarHBondContact O-N 3.22Å; G1227-T1229 VanDerWaalsContact O-N 3.13Å; G1227-A1266 CarbonylContact C-O 3.53Å; G1227-A1266 WeakPolarHBondContact CA-O 3.27Å | ||
| 1228 | T | 74.3 | Confident | 82.7 | Confident | 89.4 Ų | 89.4 | 45.5 Ų | 45.5 | 55% | 0.548 | 23% | 0.229 | S | C | . | . | trans | 72 | -10.6 | 175.4 | 74.1 | 0 | 0 | 0 | 0 | 117.8 | Q1230 L1265 A1266 | T1228-Q1230 PolarHBondContact O-N 3.06Å; T1228-L1265 WeakPolarHBondContact O-CD2 3.2Å; T1228-A1266 PolarHBondContact N-O 3.06Å; T1228-A1266 VanDerWaalsContact N-O 3.14Å | ||
| 1229 | T | 82 | Confident | 82.5 | Confident | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | trans | -69.1 | 128.7 | 172.1 | -62.9 | 0 | 0 | 0 | 0 | 110.5 | Q1221 I1222 A1223 S1224 G1227 I1231 A1266 | Q1221-T1229 HydrophobicContact CG-CG2 3.49Å; Q1221-T1229 VanDerWaalsContact CG-CG2 3.47Å; Q1221-T1229 PolarHBondContact NE2-OG1 3.09Å; Q1221-T1229 WeakPolarHBondContact O-CG2 3.26Å; I1222-T1229 PolarHBondContact O-OG1 2.81Å; A1223-T1229 HydrophobicContact CB-CG2 4.48Å; S1224-T1229 PolarHBondContact N-OG1 3.43Å; G1227-T1229 VanDerWaalsContact C-N 3.28Å; G1227-T1229 PolarHBondContact O-N 3.22Å; G1227-T1229 VanDerWaalsContact O-N 3.13Å; T1229-I1231 PolarHBondContact O-N 2.87Å; T1229-A1266 WeakPolarHBondContact O-CB 3.41Å; T1229-A1266 PolarHBondContact O-N 2.88Å | ||
| 1230 | Q | 85.8 | Confident | 82.6 | Confident | 112 Ų | 112 | 43.7 Ų | 43.7 | 52% | 0.523 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 131.6 | 174.7 | -91.8 | -177.9 | -14.3 | 0 | 0 | 110.7 | T1220 T1228 I1263 I1264 L1265 | T1220-Q1230 PolarHBondContact OG1-O 2.91Å; T1228-Q1230 PolarHBondContact O-N 3.06Å; Q1230-I1263 HydrophobicContact CB-CG2 4.31Å; Q1230-I1263 HydrophobicContact CG-CG2 4.08Å; Q1230-I1264 WeakPolarHBondContact CA-O 3.29Å; Q1230-L1265 HydrophobicContact CG-CD2 3.64Å |
| 1231 | I | 88.8 | Confident | 82.9 | Confident | 0.4 Ų | 0.4 | 43.5 Ų | 43.5 | 0% | 0.002 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 124.6 | 177.9 | -58 | 163 | 0 | 0 | 0 | 107.6 | V1217 E1218 Q1219 T1229 I1233 I1263 I1264 A1266 V1293 | V1217-I1231 HydrophobicContact CG1-CG2 3.51Å; V1217-I1231 VanDerWaalsContact CG1-CG2 3.48Å; E1218-I1231 WeakPolarHBondContact O-CA 3.43Å; Q1219-I1231 HydrophobicContact CG-CG1 4.34Å; Q1219-I1231 HydrophobicContact CG-CG2 4.29Å; T1229-I1231 PolarHBondContact O-N 2.87Å; I1231-I1233 HydrophobicContact CG2-CG1 4.14Å; I1231-I1263 WeakPolarHBondContact O-CA 3.37Å; I1231-I1264 HydrophobicContact CB-CD1 4.41Å; I1231-I1264 HydrophobicContact CB-CG1 3.79Å; I1231-I1264 HydrophobicContact CD1-CD1 4.23Å; I1231-I1264 HydrophobicContact CD1-CG1 4.31Å; I1231-I1264 HydrophobicContact CG1-CG1 4.5Å; I1231-I1264 HydrophobicContact CG2-CG1 4.38Å; I1231-I1264 PolarHBondContact N-O 3.04Å; I1231-I1264 PolarHBondContact O-N 3.25Å; I1231-A1266 HydrophobicContact CD1-CB 3.66Å; I1231-A1266 HydrophobicContact CG1-CB 4.43Å; I1231-V1293 HydrophobicContact CD1-CB 4.22Å; I1231-V1293 HydrophobicContact CD1-CG1 3.39Å; I1231-V1293 VanDerWaalsContact CD1-CG1 3.42Å; I1231-V1293 HydrophobicContact CD1-CG2 3.73Å; I1231-V1293 HydrophobicContact CG1-CG1 4.39Å; I1231-V1293 HydrophobicContact CG2-CG2 4.42Å |
| 1232 | I | 91.2 | Very high | 83.2 | Confident | 40.6 Ų | 40.6 | 39 Ų | 39 | 21% | 0.208 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 125.3 | 177 | -54.5 | 174.4 | 0 | 0 | 0 | 107.4 | V1217 E1218 Q1261 I1263 | V1217-I1232 CarbonylContact C-O 3.41Å; V1217-I1232 WeakPolarHBondContact CA-O 3.37Å; E1218-I1232 HydrophobicContact CB-CB 4.27Å; E1218-I1232 PolarHBondContact N-O 2.94Å; E1218-I1232 PolarHBondContact O-N 2.85Å; E1218-I1232 VanDerWaalsContact O-N 3.09Å; I1232-Q1261 HydrophobicContact CG2-CG 4.06Å; I1232-I1263 HydrophobicContact CG1-CD1 4.21Å; I1232-I1263 HydrophobicContact CG1-CG1 4.31Å |
| 1233 | I | 91 | Very high | 83.4 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 119.6 | 178.7 | -54 | 175.4 | 0 | 0 | 0 | 107.3 | I1214 V1217 I1231 F1238 Q1261 I1262 I1264 I1277 | I1214-I1233 HydrophobicContact CB-CG2 4.4Å; I1214-I1233 HydrophobicContact CD1-CG2 3.94Å; I1214-I1233 HydrophobicContact CG1-CG2 3.98Å; I1214-I1233 HydrophobicContact CG2-CG2 3.71Å; V1217-I1233 HydrophobicContact CG2-CG1 4.34Å; V1217-I1233 HydrophobicContact CG2-CG2 4.29Å; I1231-I1233 HydrophobicContact CG2-CG1 4.14Å; I1233-F1238 HydrophobicContact CG2-CE2 4.32Å; I1233-F1238 HydrophobicContact CG2-CZ 3.89Å; I1233-F1238 WeakPolarHBondContact O-CE2 3.33Å; I1233-Q1261 WeakPolarHBondContact O-CA 3.28Å; I1233-I1262 HydrophobicContact CB-CD1 4.17Å; I1233-I1262 HydrophobicContact CB-CG1 3.7Å; I1233-I1262 HydrophobicContact CD1-CD1 4.31Å; I1233-I1262 HydrophobicContact CD1-CG1 4.45Å; I1233-I1262 HydrophobicContact CG1-CG1 4.46Å; I1233-I1262 HydrophobicContact CG2-CD1 4.38Å; I1233-I1262 HydrophobicContact CG2-CG1 4.33Å; I1233-I1262 PolarHBondContact N-O 2.95Å; I1233-I1262 PolarHBondContact O-N 3.2Å; I1233-I1264 HydrophobicContact CD1-CD1 3.81Å; I1233-I1264 HydrophobicContact CD1-CG1 4Å; I1233-I1264 HydrophobicContact CD1-CG2 4.01Å; I1233-I1277 HydrophobicContact CD1-CD1 3.76Å; I1233-I1277 HydrophobicContact CD1-CG2 4.31Å; I1233-I1277 HydrophobicContact CG1-CD1 4.26Å |
| 1234 | N | 89.8 | Confident | 83.6 | Confident | 25.8 Ų | 25.8 | 38.9 Ų | 38.9 | 14% | 0.138 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 148.7 | 175.1 | -56 | -55.7 | 0 | 0 | 0 | 109.6 | T1215 S1216 E1218 T1260 Q1261 | T1215-N1234 PolarHBondContact N-O 3Å; T1215-N1234 VanDerWaalsContact OG1-C 3.26Å; T1215-N1234 PolarHBondContact OG1-O 2.89Å; T1215-N1234 VanDerWaalsContact OG1-O 3.14Å; S1216-N1234 PolarHBondContact N-O 3.01Å; S1216-N1234 VanDerWaalsContact N-O 3.14Å; S1216-N1234 PolarHBondContact O-N 2.8Å; S1216-N1234 WeakPolarHBondContact OG-CB 3.28Å; S1216-N1234 PolarHBondContact OG-ND2 2.97Å; E1218-N1234 PolarHBondContact OE1-ND2 3.07Å; E1218-N1234 VanDerWaalsContact OE1-ND2 3.14Å; N1234-T1260 CarbonylContact C-O 3.39Å; N1234-T1260 VanDerWaalsContact CA-O 3.3Å; N1234-T1260 WeakPolarHBondContact CA-O 3.38Å; N1234-Q1261 VanDerWaalsContact OD1-CG 3.31Å; N1234-Q1261 WeakPolarHBondContact OD1-CG 3.35Å; N1234-Q1261 PolarHBondContact OD1-NE2 3.06Å |
| 1235 | G | 87.9 | Confident | 83.8 | Confident | 3.4 Ų | 3.4 | 40.4 Ų | 40.4 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.4 | -154.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | V1213 T1215 F1238 T1260 | V1213-G1235 CarbonylContact O-C 3.46Å; V1213-G1235 WeakPolarHBondContact O-CA 3.31Å; T1215-G1235 VanDerWaalsContact OG1-CA 3.3Å; T1215-G1235 WeakPolarHBondContact OG1-CA 3.32Å; T1215-G1235 PolarHBondContact OG1-N 2.89Å; G1235-F1238 VanDerWaalsContact CA-CZ 3.48Å; G1235-T1260 PolarHBondContact N-O 3.14Å; G1235-T1260 WeakPolarHBondContact O-CA 3.32Å; G1235-T1260 VanDerWaalsContact O-CB 3.26Å; G1235-T1260 WeakPolarHBondContact O-CB 3.37Å |
| 1236 | L | 80.3 | Confident | 84.1 | Confident | 92 Ų | 92 | 40.4 Ų | 40.4 | 48% | 0.482 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 142.1 | 178.1 | -65.9 | 169.8 | 0 | 0 | 0 | 109.5 | P1212 V1213 T1215 F1238 E1259 T1260 | P1212-L1236 CarbonylContact C-O 3.54Å; P1212-L1236 VanDerWaalsContact CA-O 3.29Å; P1212-L1236 WeakPolarHBondContact CA-O 3.29Å; V1213-L1236 PolarHBondContact N-O 3.08Å; V1213-L1236 PolarHBondContact O-N 3.2Å; T1215-L1236 HydrophobicContact CG2-CG 4.45Å; L1236-F1238 VanDerWaalsContact C-N 3.3Å; L1236-F1238 PolarHBondContact O-N 3.23Å; L1236-E1259 CarbonylContact C-O 3.55Å; L1236-E1259 VanDerWaalsContact C-O 3.31Å; L1236-T1260 HydrophobicContact CD2-CG2 4.26Å |
| 1237 | R | 80 | Confident | 84.4 | Confident | 128.8 Ų | 128.8 | 41.9 Ų | 41.9 | 49% | 0.486 | 23% | 0.231 | S | C | . | . | S | Bend | trans | 61.8 | 30.3 | 174.6 | -50.4 | 173.1 | -133.6 | -178 | -1.2 | 114.1 | N1210 G1211 P1212 E1259 | N1210-R1237 VanDerWaalsContact O-CZ 3.27Å; N1210-R1237 PolarHBondContact O-NH1 2.78Å; N1210-R1237 VanDerWaalsContact OD1-CZ 3.23Å; N1210-R1237 PolarHBondContact OD1-NH1 3.22Å; N1210-R1237 PolarHBondContact OD1-NH2 3.24Å; G1211-R1237 PolarHBondContact O-NE 3.35Å; G1211-R1237 PolarHBondContact O-NH2 3.18Å; G1211-R1237 VanDerWaalsContact O-NH2 3.15Å; P1212-R1237 WeakPolarHBondContact CB-O 3.07Å; R1237-E1259 PolarHBondContact N-O 3.26Å |
| 1238 | F | 86.6 | Confident | 84.8 | Confident | 2.6 Ų | 2.6 | 44.4 Ų | 44.4 | 1% | 0.011 | 26% | 0.257 | C | S | . | . | trans | -62.2 | 144.8 | 168.6 | -63.4 | -30.7 | 0 | 0 | 0 | 110.2 | P1212 V1213 I1214 I1233 G1235 L1236 M1242 F1256 E1259 I1262 L1279 | P1212-F1238 HydrophobicContact CB-CD1 3.88Å; P1212-F1238 HydrophobicContact CB-CE1 4.31Å; V1213-F1238 VanDerWaalsContact O-CE1 3.29Å; V1213-F1238 WeakPolarHBondContact O-CE1 3.38Å; I1214-F1238 HydrophobicContact CG1-CE1 4.31Å; I1214-F1238 HydrophobicContact CG1-CZ 4.27Å; I1233-F1238 HydrophobicContact CG2-CE2 4.32Å; I1233-F1238 HydrophobicContact CG2-CZ 3.89Å; I1233-F1238 WeakPolarHBondContact O-CE2 3.33Å; G1235-F1238 VanDerWaalsContact CA-CZ 3.48Å; L1236-F1238 VanDerWaalsContact C-N 3.3Å; L1236-F1238 PolarHBondContact O-N 3.23Å; F1238-M1242 HydrophobicContact CB-CE 3.99Å; F1238-M1242 HydrophobicContact CB-SD 3.96Å; F1238-M1242 HydrophobicContact CD1-CE 3.69Å; F1238-M1242 HydrophobicContact CD1-SD 3.82Å; F1238-M1242 HydrophobicContact CE1-CE 4.22Å; F1238-M1242 HydrophobicContact CG-CE 4.1Å; F1238-M1242 HydrophobicContact CG-SD 4.21Å; F1238-F1256 HydrophobicContact CB-CD2 4.48Å; F1238-F1256 HydrophobicContact CB-CE2 4Å; F1238-F1256 VanDerWaalsContact O-CE2 3.28Å; F1238-F1256 WeakPolarHBondContact O-CE2 3.32Å; F1238-E1259 PolarHBondContact N-O 3.21Å; F1238-I1262 HydrophobicContact CB-CG2 3.98Å; F1238-I1262 HydrophobicContact CD1-CD1 4.37Å; F1238-I1262 HydrophobicContact CD2-CB 4.43Å; F1238-I1262 HydrophobicContact CD2-CD1 4.27Å; F1238-I1262 HydrophobicContact CD2-CG1 4.18Å; F1238-I1262 HydrophobicContact CD2-CG2 3.74Å; F1238-I1262 HydrophobicContact CE1-CD1 4.4Å; F1238-I1262 HydrophobicContact CE2-CD1 4.22Å; F1238-I1262 HydrophobicContact CE2-CG1 4.08Å; F1238-I1262 HydrophobicContact CE2-CG2 4.46Å; F1238-I1262 HydrophobicContact CG-CD1 4.35Å; F1238-I1262 HydrophobicContact CG-CG2 4.05Å; F1238-I1262 HydrophobicContact CZ-CD1 4.37Å; F1238-I1262 HydrophobicContact CZ-CG1 4.47Å; F1238-L1279 HydrophobicContact CD1-CD1 4.31Å; F1238-L1279 HydrophobicContact CE1-CD1 3.7Å; F1238-L1279 HydrophobicContact CZ-CD1 4.37Å | ||
| 1239 | T | 82.1 | Confident | 85.2 | Confident | 48.2 Ų | 48.2 | 42.4 Ų | 42.4 | 30% | 0.296 | 24% | 0.244 | S | C | . | . | trans | -130.5 | 149.9 | 176.9 | 63.6 | 0 | 0 | 0 | 0 | 109.4 | T1241 M1242 F1254 | T1239-T1241 PolarHBondContact O-N 3.12Å; T1239-T1241 VanDerWaalsContact O-N 3.09Å; T1239-T1241 PolarHBondContact OG1-OG1 3.07Å; T1239-M1242 VanDerWaalsContact O-CG 3.27Å; T1239-M1242 WeakPolarHBondContact O-CG 3.29Å; T1239-M1242 PolarHBondContact O-N 3.14Å; T1239-M1242 PolarHBondContact OG1-N 3.09Å; T1239-F1254 WeakPolarHBondContact O-CZ 3.39Å | ||
| 1240 | P | 82.5 | Confident | 85.4 | Confident | 88 Ų | 88 | 46.2 Ų | 46.2 | 57% | 0.571 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -11.8 | 177.7 | 15.7 | -21.1 | 0 | 0 | 0 | 114 | F1256 | P1240-F1256 HydrophobicContact CB-CB 4.31Å; P1240-F1256 HydrophobicContact CB-CD1 4.41Å; P1240-F1256 HydrophobicContact CB-CG 4.2Å; P1240-F1256 HydrophobicContact CG-CB 4.44Å; P1240-F1256 HydrophobicContact CG-CD1 3.82Å; P1240-F1256 HydrophobicContact CG-CD2 4.22Å; P1240-F1256 HydrophobicContact CG-CE1 4.03Å; P1240-F1256 HydrophobicContact CG-CE2 4.43Å; P1240-F1256 HydrophobicContact CG-CG 3.9Å; P1240-F1256 HydrophobicContact CG-CZ 4.33Å |
| 1241 | T | 80.8 | Confident | 85.5 | Confident | 102 Ų | 102 | 41.3 Ų | 41.3 | 63% | 0.626 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -105 | 2 | -177.7 | 56.7 | 0 | 0 | 0 | 0 | 114.2 | T1239 | T1239-T1241 PolarHBondContact O-N 3.12Å; T1239-T1241 VanDerWaalsContact O-N 3.09Å; T1239-T1241 PolarHBondContact OG1-OG1 3.07Å |
| 1242 | M | 82.9 | Confident | 85.2 | Confident | 4.6 Ų | 4.6 | 47.8 Ų | 47.8 | 2% | 0.023 | 27% | 0.269 | C | S | . | . | trans | -72.4 | 153.5 | 177.8 | 72.9 | -168.1 | -145.1 | 0 | 0 | 111.2 | P1212 F1238 T1239 I1244 F1254 I1262 L1279 Y1280 | P1212-M1242 HydrophobicContact CB-CE 4.49Å; P1212-M1242 HydrophobicContact CB-SD 4.24Å; P1212-M1242 HydrophobicContact CG-CE 4.5Å; P1212-M1242 HydrophobicContact CG-SD 4.23Å; F1238-M1242 HydrophobicContact CB-CE 3.99Å; F1238-M1242 HydrophobicContact CB-SD 3.96Å; F1238-M1242 HydrophobicContact CD1-CE 3.69Å; F1238-M1242 HydrophobicContact CD1-SD 3.82Å; F1238-M1242 HydrophobicContact CE1-CE 4.22Å; F1238-M1242 HydrophobicContact CG-CE 4.1Å; F1238-M1242 HydrophobicContact CG-SD 4.21Å; T1239-M1242 VanDerWaalsContact O-CG 3.27Å; T1239-M1242 WeakPolarHBondContact O-CG 3.29Å; T1239-M1242 PolarHBondContact O-N 3.14Å; T1239-M1242 PolarHBondContact OG1-N 3.09Å; M1242-I1244 HydrophobicContact CE-CD1 3.88Å; M1242-I1244 HydrophobicContact CE-CG1 3.93Å; M1242-I1244 HydrophobicContact CG-CG1 4.35Å; M1242-F1254 HydrophobicContact CE-CE2 3.89Å; M1242-F1254 HydrophobicContact CE-CZ 3.92Å; M1242-F1254 HydrophobicContact CG-CE1 4.3Å; M1242-F1254 HydrophobicContact CG-CZ 3.89Å; M1242-F1254 WeakPolarHBondContact O-CE1 3.37Å; M1242-I1262 HydrophobicContact CE-CD1 3.54Å; M1242-I1262 HydrophobicContact CE-CG1 4.38Å; M1242-I1262 HydrophobicContact CE-CG2 3.77Å; M1242-L1279 HydrophobicContact CE-CB 4.11Å; M1242-L1279 HydrophobicContact CE-CD1 3.8Å; M1242-L1279 HydrophobicContact CE-CD2 3.89Å; M1242-L1279 HydrophobicContact CE-CG 3.99Å; M1242-L1279 HydrophobicContact SD-CD2 4.36Å; M1242-Y1280 CarbonylContact C-O 3.49Å; M1242-Y1280 VanDerWaalsContact CA-O 3.3Å; M1242-Y1280 WeakPolarHBondContact CA-O 3.36Å; M1242-Y1280 VanDerWaalsContact CB-O 3.28Å; M1242-Y1280 WeakPolarHBondContact CB-O 3.29Å | ||
| 1243 | L | 84.3 | Confident | 84.6 | Confident | 60.8 Ų | 60.8 | 52.7 Ų | 52.7 | 32% | 0.318 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 138 | 172.4 | -49.3 | 172.4 | 0 | 0 | 0 | 109.6 | F1245 L1279 Y1280 | L1243-F1245 HydrophobicContact CB-CD2 4.45Å; L1243-F1245 HydrophobicContact CB-CE2 3.81Å; L1243-F1245 HydrophobicContact CD1-CE2 4.44Å; L1243-L1279 CarbonylContact O-C 3.53Å; L1243-L1279 WeakPolarHBondContact O-CA 3.19Å; L1243-Y1280 HydrophobicContact CB-CD2 4.42Å; L1243-Y1280 PolarHBondContact N-O 2.91Å; L1243-Y1280 PolarHBondContact O-N 2.95Å |
| 1244 | I | 88.1 | Confident | 84.5 | Confident | 1.2 Ų | 1.2 | 54.6 Ų | 54.6 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132 | 179.7 | -50.7 | 167.7 | 0 | 0 | 0 | 107.5 | M1242 K1250 V1251 F1254 I1262 I1264 I1277 L1279 | M1242-I1244 HydrophobicContact CE-CD1 3.88Å; M1242-I1244 HydrophobicContact CE-CG1 3.93Å; M1242-I1244 HydrophobicContact CG-CG1 4.35Å; I1244-K1250 WeakPolarHBondContact O-CA 3.24Å; I1244-V1251 HydrophobicContact CB-CB 4.12Å; I1244-V1251 HydrophobicContact CB-CG2 4.03Å; I1244-V1251 HydrophobicContact CG2-CB 4.42Å; I1244-V1251 HydrophobicContact CG2-CG2 3.88Å; I1244-V1251 PolarHBondContact O-N 3.04Å; I1244-F1254 HydrophobicContact CD1-CB 4.02Å; I1244-F1254 HydrophobicContact CD1-CD1 3.42Å; I1244-F1254 VanDerWaalsContact CD1-CD1 3.45Å; I1244-F1254 HydrophobicContact CD1-CD2 3.98Å; I1244-F1254 HydrophobicContact CD1-CE1 3.78Å; I1244-F1254 HydrophobicContact CD1-CE2 4.29Å; I1244-F1254 HydrophobicContact CD1-CG 3.54Å; I1244-F1254 VanDerWaalsContact CD1-CG 3.42Å; I1244-F1254 HydrophobicContact CD1-CZ 4.2Å; I1244-F1254 HydrophobicContact CG1-CD1 4.25Å; I1244-F1254 HydrophobicContact CG1-CE1 4.3Å; I1244-I1262 HydrophobicContact CD1-CD1 3.54Å; I1244-I1262 VanDerWaalsContact CD1-CD1 3.44Å; I1244-I1262 HydrophobicContact CG1-CD1 4.33Å; I1244-I1264 HydrophobicContact CD1-CG2 3.71Å; I1244-I1264 HydrophobicContact CG2-CG2 4.42Å; I1244-I1277 HydrophobicContact CG2-CG2 4.05Å; I1244-L1279 HydrophobicContact CB-CD2 4.33Å; I1244-L1279 HydrophobicContact CG1-CD2 3.93Å; I1244-L1279 HydrophobicContact CG2-CD2 4.04Å |
| 1245 | F | 87 | Confident | 84.5 | Confident | 37.6 Ų | 37.6 | 57.4 Ų | 57.4 | 17% | 0.165 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 142.5 | 173.5 | -65.8 | -103.9 | 0 | 0 | 0 | 109.3 | L1243 V1249 K1250 I1277 S1278 Y1280 | L1243-F1245 HydrophobicContact CB-CD2 4.45Å; L1243-F1245 HydrophobicContact CB-CE2 3.81Å; L1243-F1245 HydrophobicContact CD1-CE2 4.44Å; F1245-V1249 CarbonylContact C-O 3.47Å; F1245-V1249 VanDerWaalsContact CA-O 3.28Å; F1245-V1249 WeakPolarHBondContact CA-O 3.31Å; F1245-K1250 HydrophobicContact CD1-CB 3.9Å; F1245-K1250 HydrophobicContact CE1-CB 3.58Å; F1245-K1250 HydrophobicContact CE1-CG 4.11Å; F1245-K1250 HydrophobicContact CZ-CB 4.13Å; F1245-K1250 HydrophobicContact CZ-CG 4.14Å; F1245-I1277 CarbonylContact O-C 3.54Å; F1245-I1277 VanDerWaalsContact O-CA 3.3Å; F1245-I1277 WeakPolarHBondContact O-CA 3.34Å; F1245-S1278 PolarHBondContact N-O 2.96Å; F1245-S1278 PolarHBondContact O-N 3.18Å; F1245-Y1280 AromaticContact CD2-CD2 3.57Å; F1245-Y1280 HydrophobicContact CD2-CD2 3.57Å; F1245-Y1280 VanDerWaalsContact CD2-CD2 3.49Å; F1245-Y1280 AromaticContact CD2-CE2 3.47Å; F1245-Y1280 HydrophobicContact CD2-CE2 3.47Å; F1245-Y1280 VanDerWaalsContact CD2-CE2 3.45Å; F1245-Y1280 AromaticContact CE2-CD2 3.59Å; F1245-Y1280 HydrophobicContact CE2-CD2 3.59Å; F1245-Y1280 AromaticContact CE2-CE2 3.63Å; F1245-Y1280 HydrophobicContact CE2-CE2 3.63Å; F1245-Y1280 HydrophobicContact CE2-CG 4.44Å; F1245-Y1280 HydrophobicContact CG-CE2 4.35Å; F1245-Y1280 HydrophobicContact CZ-CE2 4.49Å |
| 1246 | V | 88.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 116.8 | 172 | -177.9 | 0 | 0 | 0 | 0 | 107.3 | G1248 V1249 V1251 I1264 P1267 Q1269 K1275 I1276 I1277 V1293 Y1295 | V1246-G1248 PolarHBondContact O-N 2.86Å; V1246-G1248 VanDerWaalsContact O-N 3.16Å; V1246-V1249 PolarHBondContact N-O 3Å; V1246-V1249 PolarHBondContact O-N 2.87Å; V1246-V1251 HydrophobicContact CG2-CG2 4.15Å; V1246-I1264 HydrophobicContact CG2-CD1 3.71Å; V1246-P1267 HydrophobicContact CB-CG 3.72Å; V1246-P1267 HydrophobicContact CG1-CG 4.46Å; V1246-P1267 HydrophobicContact CG2-CG 4.07Å; V1246-Q1269 PolarHBondContact O-NE2 3.05Å; V1246-K1275 HydrophobicContact CG1-CB 3.74Å; V1246-I1276 WeakPolarHBondContact CA-O 3.26Å; V1246-I1277 HydrophobicContact CG2-CG1 4.36Å; V1246-V1293 HydrophobicContact CG1-CB 3.98Å; V1246-V1293 HydrophobicContact CG1-CG2 3.92Å; V1246-V1293 HydrophobicContact CG2-CG2 4.49Å; V1246-Y1295 HydrophobicContact CG1-CE2 3.93Å |
| 1247 | G | 84.7 | Confident | 85.1 | Confident | 35.6 Ų | 35.6 | 60 Ų | 60 | 37% | 0.367 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 30.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1249 I1276 | G1247-V1249 VanDerWaalsContact C-N 3.33Å; G1247-I1276 PolarHBondContact N-O 3.25Å |
| 1248 | G | 81.9 | Confident | 85.5 | Confident | 54 Ų | 54 | 57 Ų | 57 | 56% | 0.557 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | -2.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | V1246 | V1246-G1248 PolarHBondContact O-N 2.86Å; V1246-G1248 VanDerWaalsContact O-N 3.16Å |
| 1249 | V | 83.8 | Confident | 85.4 | Confident | 47.6 Ų | 47.6 | 63.2 Ų | 63.2 | 29% | 0.288 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127 | 176.9 | -174.3 | 0 | 0 | 0 | 0 | 110 | F1245 V1246 G1247 P1267 V1268 | F1245-V1249 CarbonylContact C-O 3.47Å; F1245-V1249 VanDerWaalsContact CA-O 3.28Å; F1245-V1249 WeakPolarHBondContact CA-O 3.31Å; V1246-V1249 PolarHBondContact N-O 3Å; V1246-V1249 PolarHBondContact O-N 2.87Å; G1247-V1249 VanDerWaalsContact C-N 3.33Å; V1249-P1267 HydrophobicContact CB-CB 4.24Å; V1249-P1267 HydrophobicContact CB-CG 4.32Å; V1249-P1267 HydrophobicContact CG1-CB 3.86Å; V1249-P1267 HydrophobicContact CG1-CG 4.39Å; V1249-V1268 HydrophobicContact CG1-CG2 4.41Å; V1249-V1268 WeakPolarHBondContact CG2-O 3.23Å |
| 1250 | K | 84.8 | Confident | 85.6 | Confident | 84 Ų | 84 | 64 Ų | 64 | 37% | 0.365 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 136.2 | 179.7 | -172.5 | -174 | 167.6 | -151.8 | 0 | 111 | I1244 F1245 E1252 | I1244-K1250 WeakPolarHBondContact O-CA 3.24Å; F1245-K1250 HydrophobicContact CD1-CB 3.9Å; F1245-K1250 HydrophobicContact CE1-CB 3.58Å; F1245-K1250 HydrophobicContact CE1-CG 4.11Å; F1245-K1250 HydrophobicContact CZ-CB 4.13Å; F1245-K1250 HydrophobicContact CZ-CG 4.14Å; K1250-E1252 WeakPolarHBondContact CD-OE1 3.24Å; K1250-E1252 IonicContact NZ-OE1 3.13Å; K1250-E1252 PolarHBondContact NZ-OE1 3.26Å; K1250-E1252 IonicContact NZ-OE2 3.28Å; K1250-E1252 PolarHBondContact NZ-OE2 2.91Å; K1250-E1252 PolarHBondContact O-N 2.88Å |
| 1251 | V | 88.3 | Confident | 86.1 | Confident | 9.8 Ų | 9.8 | 62.6 Ų | 62.6 | 6% | 0.059 | 34% | 0.344 | C | S | . | . | trans | -81.1 | 111.8 | 166.1 | -178.2 | 0 | 0 | 0 | 0 | 107.9 | I1244 V1246 N1253 F1254 I1264 P1267 | I1244-V1251 HydrophobicContact CB-CB 4.12Å; I1244-V1251 HydrophobicContact CB-CG2 4.03Å; I1244-V1251 HydrophobicContact CG2-CB 4.42Å; I1244-V1251 HydrophobicContact CG2-CG2 3.88Å; I1244-V1251 PolarHBondContact O-N 3.04Å; V1246-V1251 HydrophobicContact CG2-CG2 4.15Å; V1251-N1253 VanDerWaalsContact CG1-O 3.32Å; V1251-N1253 WeakPolarHBondContact CG1-O 3.31Å; V1251-N1253 PolarHBondContact O-N 2.82Å; V1251-F1254 HydrophobicContact CG1-CB 4.34Å; V1251-I1264 HydrophobicContact CG1-CB 4.05Å; V1251-I1264 HydrophobicContact CG1-CG2 4.16Å; V1251-I1264 HydrophobicContact CG2-CB 4.49Å; V1251-I1264 HydrophobicContact CG2-CD1 4.11Å; V1251-I1264 HydrophobicContact CG2-CG2 4.48Å; V1251-P1267 HydrophobicContact CG2-CG 4.17Å | ||
| 1252 | E | 82.4 | Confident | 86.7 | Confident | 137.6 Ų | 137.6 | 57.7 Ų | 57.7 | 64% | 0.643 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -64.8 | -41.2 | -175.5 | -71.6 | -62.1 | 157.6 | 0 | 0 | 113.1 | K1250 | K1250-E1252 WeakPolarHBondContact CD-OE1 3.24Å; K1250-E1252 IonicContact NZ-OE1 3.13Å; K1250-E1252 PolarHBondContact NZ-OE1 3.26Å; K1250-E1252 IonicContact NZ-OE2 3.28Å; K1250-E1252 PolarHBondContact NZ-OE2 2.91Å; K1250-E1252 PolarHBondContact O-N 2.88Å |
| 1253 | N | 79 | Confident | 87.1 | Confident | 142.2 Ų | 142.2 | 59.2 Ų | 59.2 | 76% | 0.76 | 32% | 0.322 | S | S | * | . | trans | -142.7 | 140.5 | 176.3 | -76.5 | -45.4 | 0 | 0 | 0 | 110.3 | V1251 | V1251-N1253 VanDerWaalsContact CG1-O 3.32Å; V1251-N1253 WeakPolarHBondContact CG1-O 3.31Å; V1251-N1253 PolarHBondContact O-N 2.82Å | ||
| 1254 | F | 88.6 | Confident | 87.4 | Confident | 41.8 Ų | 41.8 | 56.4 Ų | 56.4 | 18% | 0.183 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 153 | 171.7 | 67.4 | -87.7 | 0 | 0 | 0 | 110.7 | T1239 M1242 I1244 V1251 F1256 I1262 I1263 I1264 | T1239-F1254 WeakPolarHBondContact O-CZ 3.39Å; M1242-F1254 HydrophobicContact CE-CE2 3.89Å; M1242-F1254 HydrophobicContact CE-CZ 3.92Å; M1242-F1254 HydrophobicContact CG-CE1 4.3Å; M1242-F1254 HydrophobicContact CG-CZ 3.89Å; M1242-F1254 WeakPolarHBondContact O-CE1 3.37Å; I1244-F1254 HydrophobicContact CD1-CB 4.02Å; I1244-F1254 HydrophobicContact CD1-CD1 3.42Å; I1244-F1254 VanDerWaalsContact CD1-CD1 3.45Å; I1244-F1254 HydrophobicContact CD1-CD2 3.98Å; I1244-F1254 HydrophobicContact CD1-CE1 3.78Å; I1244-F1254 HydrophobicContact CD1-CE2 4.29Å; I1244-F1254 HydrophobicContact CD1-CG 3.54Å; I1244-F1254 VanDerWaalsContact CD1-CG 3.42Å; I1244-F1254 HydrophobicContact CD1-CZ 4.2Å; I1244-F1254 HydrophobicContact CG1-CD1 4.25Å; I1244-F1254 HydrophobicContact CG1-CE1 4.3Å; V1251-F1254 HydrophobicContact CG1-CB 4.34Å; F1254-F1256 HydrophobicContact CD2-CB 4.4Å; F1254-F1256 HydrophobicContact CE2-CB 4.02Å; F1254-F1256 HydrophobicContact CE2-CD2 4.37Å; F1254-F1256 PolarHBondContact O-N 2.93Å; F1254-I1262 HydrophobicContact CD2-CB 3.93Å; F1254-I1262 HydrophobicContact CD2-CD1 4.42Å; F1254-I1262 HydrophobicContact CD2-CG2 3.91Å; F1254-I1262 HydrophobicContact CE2-CB 4.33Å; F1254-I1262 HydrophobicContact CE2-CG2 3.8Å; F1254-I1263 CarbonylContact C-O 3.54Å; F1254-I1263 WeakPolarHBondContact CA-O 3.39Å; F1254-I1263 WeakPolarHBondContact CB-O 3.4Å; F1254-I1264 HydrophobicContact CB-CB 4.45Å; F1254-I1264 HydrophobicContact CB-CG2 3.73Å; F1254-I1264 HydrophobicContact CG-CG2 4.49Å |
| 1255 | T | 90.2 | Very high | 87.4 | Confident | 84.2 Ų | 84.2 | 60.7 Ų | 60.7 | 52% | 0.517 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 109 | 175.1 | -51.9 | 0 | 0 | 0 | 0 | 108.6 | I1257 I1262 I1263 | T1255-I1257 HydrophobicContact CG2-CD1 3.88Å; T1255-I1257 HydrophobicContact CG2-CG1 4.33Å; T1255-I1257 PolarHBondContact O-N 2.84Å; T1255-I1262 CarbonylContact O-C 3.48Å; T1255-I1262 VanDerWaalsContact O-CA 3.3Å; T1255-I1262 WeakPolarHBondContact O-CA 3.24Å; T1255-I1263 PolarHBondContact N-O 3.08Å; T1255-I1263 PolarHBondContact O-N 3.01Å |
| 1256 | F | 90.2 | Very high | 87.4 | Confident | 71.4 Ų | 71.4 | 59 Ų | 59 | 31% | 0.313 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 114.6 | 170.6 | -180 | -99.8 | 0 | 0 | 0 | 109.7 | F1238 P1240 F1254 N1258 E1259 I1262 | F1238-F1256 HydrophobicContact CB-CD2 4.48Å; F1238-F1256 HydrophobicContact CB-CE2 4Å; F1238-F1256 VanDerWaalsContact O-CE2 3.28Å; F1238-F1256 WeakPolarHBondContact O-CE2 3.32Å; P1240-F1256 HydrophobicContact CB-CB 4.31Å; P1240-F1256 HydrophobicContact CB-CD1 4.41Å; P1240-F1256 HydrophobicContact CB-CG 4.2Å; P1240-F1256 HydrophobicContact CG-CB 4.44Å; P1240-F1256 HydrophobicContact CG-CD1 3.82Å; P1240-F1256 HydrophobicContact CG-CD2 4.22Å; P1240-F1256 HydrophobicContact CG-CE1 4.03Å; P1240-F1256 HydrophobicContact CG-CE2 4.43Å; P1240-F1256 HydrophobicContact CG-CG 3.9Å; P1240-F1256 HydrophobicContact CG-CZ 4.33Å; F1254-F1256 HydrophobicContact CD2-CB 4.4Å; F1254-F1256 HydrophobicContact CE2-CB 4.02Å; F1254-F1256 HydrophobicContact CE2-CD2 4.37Å; F1254-F1256 PolarHBondContact O-N 2.93Å; F1256-N1258 VanDerWaalsContact CE2-C 3.44Å; F1256-N1258 VanDerWaalsContact CE2-O 3.26Å; F1256-N1258 WeakPolarHBondContact CE2-O 3.41Å; F1256-N1258 WeakPolarHBondContact CZ-O 3.39Å; F1256-E1259 HydrophobicContact CZ-CG 4.46Å; F1256-I1262 HydrophobicContact CD2-CG2 3.93Å |
| 1257 | I | 90 | Very high | 87.4 | Confident | 78.8 Ų | 78.8 | 59.8 Ų | 59.8 | 40% | 0.404 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -52.4 | 175.8 | -58.7 | -103.3 | 0 | 0 | 0 | 109.4 | T1255 Q1261 I1263 | T1255-I1257 HydrophobicContact CG2-CD1 3.88Å; T1255-I1257 HydrophobicContact CG2-CG1 4.33Å; T1255-I1257 PolarHBondContact O-N 2.84Å; I1257-Q1261 HydrophobicContact CB-CB 4.3Å; I1257-Q1261 HydrophobicContact CB-CG 4.41Å; I1257-Q1261 WeakPolarHBondContact CB-O 3.33Å; I1257-Q1261 HydrophobicContact CD1-CG 4.12Å; I1257-Q1261 HydrophobicContact CG1-CG 4.32Å; I1257-Q1261 PolarHBondContact N-O 2.83Å; I1257-Q1261 VanDerWaalsContact N-O 3.13Å; I1257-I1263 HydrophobicContact CD1-CD1 3.89Å; I1257-I1263 VanDerWaalsContact CD1-CD1 3.48Å; I1257-I1263 HydrophobicContact CD1-CG1 4.2Å; I1257-I1263 HydrophobicContact CG1-CD1 4.27Å; I1257-I1263 HydrophobicContact CG1-CG1 4.2Å |
| 1258 | N | 88.3 | Confident | 87.5 | Confident | 64 Ų | 64 | 60.5 Ų | 60.5 | 34% | 0.342 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165 | -177.6 | 175.7 | 58.8 | 49.4 | 0 | 0 | 0 | 110.4 | F1256 T1260 Q1261 | F1256-N1258 VanDerWaalsContact CE2-C 3.44Å; F1256-N1258 VanDerWaalsContact CE2-O 3.26Å; F1256-N1258 WeakPolarHBondContact CE2-O 3.41Å; F1256-N1258 WeakPolarHBondContact CZ-O 3.39Å; N1258-T1260 PolarHBondContact O-N 3.16Å; N1258-T1260 VanDerWaalsContact OD1-CA 3.3Å; N1258-T1260 WeakPolarHBondContact OD1-CA 3.42Å; N1258-T1260 WeakPolarHBondContact OD1-CB 3.42Å; N1258-T1260 PolarHBondContact OD1-N 3.22Å; N1258-T1260 PolarHBondContact OD1-OG1 3.23Å; N1258-Q1261 PolarHBondContact N-O 3.04Å; N1258-Q1261 VanDerWaalsContact N-O 3.16Å; N1258-Q1261 PolarHBondContact O-N 3.13Å; N1258-Q1261 VanDerWaalsContact O-N 3.14Å; N1258-Q1261 VanDerWaalsContact O-O 3.06Å; N1258-Q1261 PolarHBondContact OD1-N 2.98Å |
| 1259 | E | 83.7 | Confident | 87.7 | Confident | 134 Ų | 134 | 58.4 Ų | 58.4 | 63% | 0.626 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -9.1 | -179.8 | -42.2 | -174.3 | -173 | 0 | 0 | 114.7 | L1236 R1237 F1238 F1256 | L1236-E1259 CarbonylContact C-O 3.55Å; L1236-E1259 VanDerWaalsContact C-O 3.31Å; R1237-E1259 PolarHBondContact N-O 3.26Å; F1238-E1259 PolarHBondContact N-O 3.21Å; F1256-E1259 HydrophobicContact CZ-CG 4.46Å |
| 1260 | T | 88.2 | Confident | 87.4 | Confident | 65.6 Ų | 65.6 | 64.6 Ų | 64.6 | 40% | 0.402 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | -6.6 | -179.3 | 64.9 | 0 | 0 | 0 | 0 | 114.6 | N1234 G1235 L1236 N1258 | N1234-T1260 CarbonylContact C-O 3.39Å; N1234-T1260 VanDerWaalsContact CA-O 3.3Å; N1234-T1260 WeakPolarHBondContact CA-O 3.38Å; G1235-T1260 PolarHBondContact N-O 3.14Å; G1235-T1260 WeakPolarHBondContact O-CA 3.32Å; G1235-T1260 VanDerWaalsContact O-CB 3.26Å; G1235-T1260 WeakPolarHBondContact O-CB 3.37Å; L1236-T1260 HydrophobicContact CD2-CG2 4.26Å; N1258-T1260 PolarHBondContact O-N 3.16Å; N1258-T1260 VanDerWaalsContact OD1-CA 3.3Å; N1258-T1260 WeakPolarHBondContact OD1-CA 3.42Å; N1258-T1260 WeakPolarHBondContact OD1-CB 3.42Å; N1258-T1260 PolarHBondContact OD1-N 3.22Å; N1258-T1260 PolarHBondContact OD1-OG1 3.23Å |
| 1261 | Q | 92.6 | Very high | 87.1 | Confident | 57.4 Ų | 57.4 | 64.8 Ų | 64.8 | 27% | 0.268 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 135.5 | -176.9 | -174.6 | 175.1 | 74.7 | 0 | 0 | 112.7 | I1232 I1233 N1234 I1257 N1258 | I1232-Q1261 HydrophobicContact CG2-CG 4.06Å; I1233-Q1261 WeakPolarHBondContact O-CA 3.28Å; N1234-Q1261 VanDerWaalsContact OD1-CG 3.31Å; N1234-Q1261 WeakPolarHBondContact OD1-CG 3.35Å; N1234-Q1261 PolarHBondContact OD1-NE2 3.06Å; I1257-Q1261 HydrophobicContact CB-CB 4.3Å; I1257-Q1261 HydrophobicContact CB-CG 4.41Å; I1257-Q1261 WeakPolarHBondContact CB-O 3.33Å; I1257-Q1261 HydrophobicContact CD1-CG 4.12Å; I1257-Q1261 HydrophobicContact CG1-CG 4.32Å; I1257-Q1261 PolarHBondContact N-O 2.83Å; I1257-Q1261 VanDerWaalsContact N-O 3.13Å; N1258-Q1261 PolarHBondContact N-O 3.04Å; N1258-Q1261 VanDerWaalsContact N-O 3.16Å; N1258-Q1261 PolarHBondContact O-N 3.13Å; N1258-Q1261 VanDerWaalsContact O-N 3.14Å; N1258-Q1261 VanDerWaalsContact O-O 3.06Å; N1258-Q1261 PolarHBondContact OD1-N 2.98Å |
| 1262 | I | 92.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 154.7 | 172.3 | 63.5 | -173.9 | 0 | 0 | 0 | 110 | I1233 F1238 M1242 I1244 F1254 T1255 F1256 | I1233-I1262 HydrophobicContact CB-CD1 4.17Å; I1233-I1262 HydrophobicContact CB-CG1 3.7Å; I1233-I1262 HydrophobicContact CD1-CD1 4.31Å; I1233-I1262 HydrophobicContact CD1-CG1 4.45Å; I1233-I1262 HydrophobicContact CG1-CG1 4.46Å; I1233-I1262 HydrophobicContact CG2-CD1 4.38Å; I1233-I1262 HydrophobicContact CG2-CG1 4.33Å; I1233-I1262 PolarHBondContact N-O 2.95Å; I1233-I1262 PolarHBondContact O-N 3.2Å; F1238-I1262 HydrophobicContact CB-CG2 3.98Å; F1238-I1262 HydrophobicContact CD1-CD1 4.37Å; F1238-I1262 HydrophobicContact CD2-CB 4.43Å; F1238-I1262 HydrophobicContact CD2-CD1 4.27Å; F1238-I1262 HydrophobicContact CD2-CG1 4.18Å; F1238-I1262 HydrophobicContact CD2-CG2 3.74Å; F1238-I1262 HydrophobicContact CE1-CD1 4.4Å; F1238-I1262 HydrophobicContact CE2-CD1 4.22Å; F1238-I1262 HydrophobicContact CE2-CG1 4.08Å; F1238-I1262 HydrophobicContact CE2-CG2 4.46Å; F1238-I1262 HydrophobicContact CG-CD1 4.35Å; F1238-I1262 HydrophobicContact CG-CG2 4.05Å; F1238-I1262 HydrophobicContact CZ-CD1 4.37Å; F1238-I1262 HydrophobicContact CZ-CG1 4.47Å; M1242-I1262 HydrophobicContact CE-CD1 3.54Å; M1242-I1262 HydrophobicContact CE-CG1 4.38Å; M1242-I1262 HydrophobicContact CE-CG2 3.77Å; I1244-I1262 HydrophobicContact CD1-CD1 3.54Å; I1244-I1262 VanDerWaalsContact CD1-CD1 3.44Å; I1244-I1262 HydrophobicContact CG1-CD1 4.33Å; F1254-I1262 HydrophobicContact CD2-CB 3.93Å; F1254-I1262 HydrophobicContact CD2-CD1 4.42Å; F1254-I1262 HydrophobicContact CD2-CG2 3.91Å; F1254-I1262 HydrophobicContact CE2-CB 4.33Å; F1254-I1262 HydrophobicContact CE2-CG2 3.8Å; T1255-I1262 CarbonylContact O-C 3.48Å; T1255-I1262 VanDerWaalsContact O-CA 3.3Å; T1255-I1262 WeakPolarHBondContact O-CA 3.24Å; F1256-I1262 HydrophobicContact CD2-CG2 3.93Å |
| 1263 | I | 91.7 | Very high | 87 | Confident | 35.6 Ų | 35.6 | 60.9 Ų | 60.9 | 18% | 0.183 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122.5 | 172.4 | -54.9 | 176.9 | 0 | 0 | 0 | 108 | Q1230 I1231 I1232 F1254 T1255 I1257 | Q1230-I1263 HydrophobicContact CB-CG2 4.31Å; Q1230-I1263 HydrophobicContact CG-CG2 4.08Å; I1231-I1263 WeakPolarHBondContact O-CA 3.37Å; I1232-I1263 HydrophobicContact CG1-CD1 4.21Å; I1232-I1263 HydrophobicContact CG1-CG1 4.31Å; F1254-I1263 CarbonylContact C-O 3.54Å; F1254-I1263 WeakPolarHBondContact CA-O 3.39Å; F1254-I1263 WeakPolarHBondContact CB-O 3.4Å; T1255-I1263 PolarHBondContact N-O 3.08Å; T1255-I1263 PolarHBondContact O-N 3.01Å; I1257-I1263 HydrophobicContact CD1-CD1 3.89Å; I1257-I1263 VanDerWaalsContact CD1-CD1 3.48Å; I1257-I1263 HydrophobicContact CD1-CG1 4.2Å; I1257-I1263 HydrophobicContact CG1-CD1 4.27Å; I1257-I1263 HydrophobicContact CG1-CG1 4.2Å |
| 1264 | I | 90.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 153.3 | 172.8 | 69.9 | 167.2 | 0 | 0 | 0 | 109.9 | Q1230 I1231 I1233 I1244 V1246 V1251 F1254 | Q1230-I1264 WeakPolarHBondContact CA-O 3.29Å; I1231-I1264 HydrophobicContact CB-CD1 4.41Å; I1231-I1264 HydrophobicContact CB-CG1 3.79Å; I1231-I1264 HydrophobicContact CD1-CD1 4.23Å; I1231-I1264 HydrophobicContact CD1-CG1 4.31Å; I1231-I1264 HydrophobicContact CG1-CG1 4.5Å; I1231-I1264 HydrophobicContact CG2-CG1 4.38Å; I1231-I1264 PolarHBondContact N-O 3.04Å; I1231-I1264 PolarHBondContact O-N 3.25Å; I1233-I1264 HydrophobicContact CD1-CD1 3.81Å; I1233-I1264 HydrophobicContact CD1-CG1 4Å; I1233-I1264 HydrophobicContact CD1-CG2 4.01Å; I1244-I1264 HydrophobicContact CD1-CG2 3.71Å; I1244-I1264 HydrophobicContact CG2-CG2 4.42Å; V1246-I1264 HydrophobicContact CG2-CD1 3.71Å; V1251-I1264 HydrophobicContact CG1-CB 4.05Å; V1251-I1264 HydrophobicContact CG1-CG2 4.16Å; V1251-I1264 HydrophobicContact CG2-CB 4.49Å; V1251-I1264 HydrophobicContact CG2-CD1 4.11Å; V1251-I1264 HydrophobicContact CG2-CG2 4.48Å; F1254-I1264 HydrophobicContact CB-CB 4.45Å; F1254-I1264 HydrophobicContact CB-CG2 3.73Å; F1254-I1264 HydrophobicContact CG-CG2 4.49Å |
| 1265 | L | 88.3 | Confident | 87.4 | Confident | 92 Ų | 92 | 60.3 Ų | 60.3 | 48% | 0.482 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 129.7 | 156.1 | -63.8 | 175.7 | 0 | 0 | 0 | 107.3 | T1228 Q1230 P1267 | T1228-L1265 WeakPolarHBondContact O-CD2 3.2Å; Q1230-L1265 HydrophobicContact CG-CD2 3.64Å; L1265-P1267 VanDerWaalsContact O-CD 3.29Å; L1265-P1267 WeakPolarHBondContact O-CD 3.33Å; L1265-P1267 VanDerWaalsContact O-N 3.17Å |
| 1266 | A | 87.5 | Confident | 87.2 | Confident | 3.2 Ų | 3.2 | 61 Ų | 61 | 3% | 0.026 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -49.1 | 120.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | A1223 G1227 T1228 T1229 I1231 Y1295 | A1223-A1266 HydrophobicContact CB-CB 3.99Å; G1227-A1266 CarbonylContact C-O 3.53Å; G1227-A1266 WeakPolarHBondContact CA-O 3.27Å; T1228-A1266 PolarHBondContact N-O 3.06Å; T1228-A1266 VanDerWaalsContact N-O 3.14Å; T1229-A1266 WeakPolarHBondContact O-CB 3.41Å; T1229-A1266 PolarHBondContact O-N 2.88Å; I1231-A1266 HydrophobicContact CD1-CB 3.66Å; I1231-A1266 HydrophobicContact CG1-CB 4.43Å; A1266-Y1295 HydrophobicContact CB-CE1 4.15Å; A1266-Y1295 WeakPolarHBondContact CB-OH 3.34Å |
| 1267 | P | 88.9 | Confident | 87.1 | Confident | 16 Ų | 16 | 57.6 Ų | 57.6 | 10% | 0.104 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 164.5 | 175.4 | 29.2 | -34.6 | 0 | 0 | 0 | 110.7 | V1246 V1249 V1251 L1265 Y1295 | V1246-P1267 HydrophobicContact CB-CG 3.72Å; V1246-P1267 HydrophobicContact CG1-CG 4.46Å; V1246-P1267 HydrophobicContact CG2-CG 4.07Å; V1249-P1267 HydrophobicContact CB-CB 4.24Å; V1249-P1267 HydrophobicContact CB-CG 4.32Å; V1249-P1267 HydrophobicContact CG1-CB 3.86Å; V1249-P1267 HydrophobicContact CG1-CG 4.39Å; V1251-P1267 HydrophobicContact CG2-CG 4.17Å; L1265-P1267 VanDerWaalsContact O-CD 3.29Å; L1265-P1267 WeakPolarHBondContact O-CD 3.33Å; L1265-P1267 VanDerWaalsContact O-N 3.17Å; P1267-Y1295 VanDerWaalsContact CD-OH 3.26Å; P1267-Y1295 WeakPolarHBondContact CD-OH 3.36Å; P1267-Y1295 VanDerWaalsContact O-CE1 3.26Å; P1267-Y1295 WeakPolarHBondContact O-CE1 3.36Å; P1267-Y1295 PolarHBondContact O-OH 3.02Å; P1267-Y1295 VanDerWaalsContact O-OH 3.11Å |
| 1268 | V | 85.4 | Confident | 86.8 | Confident | 50 Ų | 50 | 55.2 Ų | 55.2 | 30% | 0.303 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 143.6 | 177.6 | -105.3 | 0 | 0 | 0 | 0 | 111.2 | V1225 S1226 V1249 Y1483 | V1225-V1268 CarbonylContact O-C 3.53Å; V1225-V1268 WeakPolarHBondContact O-CA 3.4Å; V1225-V1268 WeakPolarHBondContact O-CG1 3.43Å; S1226-V1268 WeakPolarHBondContact O-CG1 3.38Å; S1226-V1268 WeakPolarHBondContact O-CG2 3.23Å; V1249-V1268 HydrophobicContact CG1-CG2 4.41Å; V1249-V1268 WeakPolarHBondContact CG2-O 3.23Å; V1268-Y1483 HydrophobicContact CB-CD1 4.24Å; V1268-Y1483 HydrophobicContact CB-CE1 4.43Å; V1268-Y1483 HydrophobicContact CB-CG 4.3Å; V1268-Y1483 HydrophobicContact CG1-CD1 3.98Å; V1268-Y1483 HydrophobicContact CG1-CD2 3.92Å; V1268-Y1483 HydrophobicContact CG1-CE1 4.02Å; V1268-Y1483 HydrophobicContact CG1-CE2 3.96Å; V1268-Y1483 HydrophobicContact CG1-CG 3.91Å; V1268-Y1483 VanDerWaalsContact CG1-CG 3.47Å; V1268-Y1483 HydrophobicContact CG2-CD1 4.43Å; V1268-Y1483 HydrophobicContact CG2-CD2 4.47Å; V1268-Y1483 HydrophobicContact CG2-CE1 4.46Å; V1268-Y1483 HydrophobicContact CG2-CE2 4.07Å |
| 1269 | Q | 85.7 | Confident | 86.5 | Confident | 10.8 Ų | 10.8 | 52.2 Ų | 52.2 | 5% | 0.05 | 27% | 0.274 | C | S | . | . | trans | -131 | 146.8 | 176.8 | -66.9 | -65.7 | -33.1 | 0 | 0 | 110.3 | V1225 V1246 K1275 Y1295 | V1225-Q1269 HydrophobicContact CB-CB 4.38Å; V1225-Q1269 WeakPolarHBondContact CB-O 3.33Å; V1225-Q1269 PolarHBondContact O-N 3Å; V1225-Q1269 VanDerWaalsContact O-O 3.09Å; V1246-Q1269 PolarHBondContact O-NE2 3.05Å; Q1269-K1275 HydrophobicContact CG-CG 4.14Å; Q1269-K1275 VanDerWaalsContact OE1-CE 3.3Å; Q1269-Y1295 HydrophobicContact CB-CD1 4.07Å; Q1269-Y1295 HydrophobicContact CB-CE1 4.18Å; Q1269-Y1295 HydrophobicContact CB-CG 4.37Å; Q1269-Y1295 HydrophobicContact CG-CD1 3.75Å; Q1269-Y1295 HydrophobicContact CG-CD2 3.98Å; Q1269-Y1295 HydrophobicContact CG-CE1 3.5Å; Q1269-Y1295 VanDerWaalsContact CG-CE1 3.47Å; Q1269-Y1295 HydrophobicContact CG-CE2 3.75Å; Q1269-Y1295 HydrophobicContact CG-CG 3.96Å; Q1269-Y1295 VanDerWaalsContact CG-CZ 3.47Å | ||
| 1270 | K | 78.4 | Confident | 86.1 | Confident | 176.6 Ų | 176.6 | 48.1 Ų | 48.1 | 77% | 0.768 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -83.5 | -24.7 | 177.6 | -68.2 | -176.3 | 179.7 | 178 | 0 | 113.6 | S1484 | K1270-S1484 WeakPolarHBondContact O-CB 3.21Å; K1270-S1484 PolarHBondContact O-OG 2.86Å |
| 1271 | V | 79 | Confident | 85.1 | Confident | 88.4 Ų | 88.4 | 45.4 Ų | 45.4 | 54% | 0.536 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -139 | 148.5 | -172 | -66.9 | 0 | 0 | 0 | 0 | 111.3 | K1275 | V1271-K1275 VanDerWaalsContact CG2-NZ 3.34Å; V1271-K1275 VanDerWaalsContact O-CE 3.27Å; V1271-K1275 WeakPolarHBondContact O-CE 3.23Å; V1271-K1275 PolarHBondContact O-NZ 2.76Å |
| 1272 | N | 84.1 | Confident | 83.6 | Confident | 35.4 Ų | 35.4 | 47.7 Ų | 47.7 | 19% | 0.189 | 26% | 0.261 | C | S | . | . | trans | -64.9 | 168.8 | 176 | -61.8 | 8 | 0 | 0 | 0 | 111.7 | V1225 K1275 Y1295 F1297 I1487 | V1225-N1272 VanDerWaalsContact CG1-OD1 3.28Å; V1225-N1272 WeakPolarHBondContact CG1-OD1 3.38Å; N1272-K1275 PolarHBondContact O-NZ 3.06Å; N1272-Y1295 WeakPolarHBondContact CA-O 3.15Å; N1272-F1297 PolarHBondContact ND2-N 3.06Å; N1272-F1297 VanDerWaalsContact ND2-N 3.15Å; N1272-F1297 PolarHBondContact ND2-O 2.72Å; N1272-F1297 VanDerWaalsContact ND2-O 3.12Å; N1272-F1297 PolarHBondContact OD1-N 2.96Å; N1272-I1487 HydrophobicContact CB-CD1 4.19Å; N1272-I1487 WeakPolarHBondContact ND2-CD1 3.45Å | ||
| 1273 | G | 84.9 | Confident | 81.9 | Confident | 31 Ų | 31 | 50.7 Ų | 50.7 | 32% | 0.32 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 110.1 | -177.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | K1275 Y1295 | G1273-K1275 VanDerWaalsContact C-NZ 3.31Å; G1273-K1275 PolarHBondContact O-NZ 3Å; G1273-Y1295 PolarHBondContact N-O 2.97Å; G1273-Y1295 PolarHBondContact O-N 2.92Å |
| 1274 | E | 87.7 | Confident | 80.2 | Confident | 137.8 Ų | 137.8 | 54.1 Ų | 54.1 | 64% | 0.644 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 136.6 | 177.5 | -69 | -172.4 | -160.7 | 0 | 0 | 111.9 | S1292 V1293 T1294 | E1274-S1292 WeakPolarHBondContact OE2-CB 3.48Å; E1274-S1292 PolarHBondContact OE2-OG 3.11Å; E1274-V1293 CarbonylContact C-O 3.58Å; E1274-V1293 WeakPolarHBondContact CA-O 3.31Å; E1274-T1294 HydrophobicContact CG-CG2 4.49Å |
| 1275 | K | 87.6 | Confident | 78.7 | Confident | 33.2 Ų | 33.2 | 56.2 Ų | 56.2 | 14% | 0.144 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 112.7 | 179.4 | -59.8 | -61.2 | 172.6 | -146.3 | 0 | 109.4 | V1246 Q1269 V1271 N1272 G1273 S1292 V1293 Y1295 | V1246-K1275 HydrophobicContact CG1-CB 3.74Å; Q1269-K1275 HydrophobicContact CG-CG 4.14Å; Q1269-K1275 VanDerWaalsContact OE1-CE 3.3Å; V1271-K1275 VanDerWaalsContact CG2-NZ 3.34Å; V1271-K1275 VanDerWaalsContact O-CE 3.27Å; V1271-K1275 WeakPolarHBondContact O-CE 3.23Å; V1271-K1275 PolarHBondContact O-NZ 2.76Å; N1272-K1275 PolarHBondContact O-NZ 3.06Å; G1273-K1275 VanDerWaalsContact C-NZ 3.31Å; G1273-K1275 PolarHBondContact O-NZ 3Å; K1275-S1292 CarbonylContact O-C 3.55Å; K1275-S1292 VanDerWaalsContact O-CA 3.25Å; K1275-S1292 WeakPolarHBondContact O-CA 3.27Å; K1275-V1293 PolarHBondContact N-O 3.2Å; K1275-V1293 PolarHBondContact O-N 3.26Å; K1275-Y1295 HydrophobicContact CB-CD2 4.08Å; K1275-Y1295 HydrophobicContact CB-CE2 3.99Å; K1275-Y1295 HydrophobicContact CG-CD2 3.55Å; K1275-Y1295 VanDerWaalsContact CG-CD2 3.42Å; K1275-Y1295 HydrophobicContact CG-CE2 3.83Å; K1275-Y1295 HydrophobicContact CG-CG 4.32Å |
| 1276 | I | 87 | Confident | 77.4 | Confident | 99.8 Ų | 99.8 | 54.9 Ų | 54.9 | 51% | 0.512 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 141.3 | -179.2 | -62.1 | 171.8 | 0 | 0 | 0 | 110.3 | V1246 G1247 S1289 F1291 | V1246-I1276 WeakPolarHBondContact CA-O 3.26Å; G1247-I1276 PolarHBondContact N-O 3.25Å; I1276-S1289 VanDerWaalsContact CG2-O 3.28Å; I1276-S1289 WeakPolarHBondContact CG2-O 3.33Å; I1276-F1291 CarbonylContact C-O 3.44Å; I1276-F1291 WeakPolarHBondContact CA-O 3.37Å |
| 1277 | I | 87.7 | Confident | 76.4 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 127.6 | 172.2 | -50.1 | -174 | 0 | 0 | 0 | 109.1 | I1214 V1217 I1233 I1244 F1245 V1246 L1279 S1289 F1291 V1293 | I1214-I1277 HydrophobicContact CD1-CB 4Å; I1214-I1277 HydrophobicContact CD1-CD1 4.39Å; I1214-I1277 HydrophobicContact CD1-CG2 3.63Å; V1217-I1277 HydrophobicContact CG1-CD1 4.08Å; V1217-I1277 HydrophobicContact CG2-CD1 3.65Å; I1233-I1277 HydrophobicContact CD1-CD1 3.76Å; I1233-I1277 HydrophobicContact CD1-CG2 4.31Å; I1233-I1277 HydrophobicContact CG1-CD1 4.26Å; I1244-I1277 HydrophobicContact CG2-CG2 4.05Å; F1245-I1277 CarbonylContact O-C 3.54Å; F1245-I1277 VanDerWaalsContact O-CA 3.3Å; F1245-I1277 WeakPolarHBondContact O-CA 3.34Å; V1246-I1277 HydrophobicContact CG2-CG1 4.36Å; I1277-L1279 HydrophobicContact CG2-CD2 4.21Å; I1277-S1289 VanDerWaalsContact O-CB 3.27Å; I1277-S1289 WeakPolarHBondContact O-CB 3.28Å; I1277-S1289 PolarHBondContact O-OG 2.94Å; I1277-F1291 PolarHBondContact N-O 2.79Å; I1277-V1293 HydrophobicContact CD1-CG2 3.69Å; I1277-V1293 HydrophobicContact CG1-CG2 3.85Å |
| 1278 | S | 83.2 | Confident | 75.2 | Confident | 27.4 Ų | 27.4 | 63.2 Ų | 63.2 | 19% | 0.192 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 135.1 | 176.6 | -55.7 | 0 | 0 | 0 | 0 | 110.2 | F1245 | F1245-S1278 PolarHBondContact N-O 2.96Å; F1245-S1278 PolarHBondContact O-N 3.18Å |
| 1279 | L | 82.2 | Confident | 74.7 | Confident | 1.4 Ų | 1.4 | 61.6 Ų | 61.6 | 1% | 0.007 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 142.5 | 179 | -59.7 | -177.5 | 0 | 0 | 0 | 110.7 | P1212 I1214 F1238 M1242 L1243 I1244 I1277 I1287 | P1212-L1279 HydrophobicContact CB-CD1 4.12Å; P1212-L1279 HydrophobicContact CG-CB 4.27Å; P1212-L1279 HydrophobicContact CG-CD1 4.21Å; I1214-L1279 HydrophobicContact CD1-CD1 3.9Å; I1214-L1279 HydrophobicContact CD1-CD2 4.24Å; I1214-L1279 HydrophobicContact CD1-CG 3.97Å; I1214-L1279 HydrophobicContact CG1-CD1 3.49Å; I1214-L1279 VanDerWaalsContact CG1-CD1 3.46Å; I1214-L1279 HydrophobicContact CG1-CD2 4.46Å; I1214-L1279 HydrophobicContact CG1-CG 4.13Å; F1238-L1279 HydrophobicContact CD1-CD1 4.31Å; F1238-L1279 HydrophobicContact CE1-CD1 3.7Å; F1238-L1279 HydrophobicContact CZ-CD1 4.37Å; M1242-L1279 HydrophobicContact CE-CB 4.11Å; M1242-L1279 HydrophobicContact CE-CD1 3.8Å; M1242-L1279 HydrophobicContact CE-CD2 3.89Å; M1242-L1279 HydrophobicContact CE-CG 3.99Å; M1242-L1279 HydrophobicContact SD-CD2 4.36Å; L1243-L1279 CarbonylContact O-C 3.53Å; L1243-L1279 WeakPolarHBondContact O-CA 3.19Å; I1244-L1279 HydrophobicContact CB-CD2 4.33Å; I1244-L1279 HydrophobicContact CG1-CD2 3.93Å; I1244-L1279 HydrophobicContact CG2-CD2 4.04Å; I1277-L1279 HydrophobicContact CG2-CD2 4.21Å; L1279-I1287 HydrophobicContact CB-CB 4.37Å; L1279-I1287 PolarHBondContact N-O 3.07Å; L1279-I1287 WeakPolarHBondContact O-CB 3.16Å; L1279-I1287 PolarHBondContact O-N 3.09Å |
| 1280 | Y | 75.4 | Confident | 74.4 | Confident | 48 Ų | 48 | 69.1 Ų | 69.1 | 19% | 0.188 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 121.6 | 169.5 | -64.4 | -105 | 0 | 0 | 0 | 109.2 | L1135 M1242 L1243 F1245 N1284 V1285 L1286 | L1135-Y1280 HydrophobicContact CD1-CE1 3.66Å; L1135-Y1280 HydrophobicContact CD1-CE2 4.05Å; L1135-Y1280 WeakPolarHBondContact CD1-OH 3.43Å; M1242-Y1280 CarbonylContact C-O 3.49Å; M1242-Y1280 VanDerWaalsContact CA-O 3.3Å; M1242-Y1280 WeakPolarHBondContact CA-O 3.36Å; M1242-Y1280 VanDerWaalsContact CB-O 3.28Å; M1242-Y1280 WeakPolarHBondContact CB-O 3.29Å; L1243-Y1280 HydrophobicContact CB-CD2 4.42Å; L1243-Y1280 PolarHBondContact N-O 2.91Å; L1243-Y1280 PolarHBondContact O-N 2.95Å; F1245-Y1280 AromaticContact CD2-CD2 3.57Å; F1245-Y1280 HydrophobicContact CD2-CD2 3.57Å; F1245-Y1280 VanDerWaalsContact CD2-CD2 3.49Å; F1245-Y1280 AromaticContact CD2-CE2 3.47Å; F1245-Y1280 HydrophobicContact CD2-CE2 3.47Å; F1245-Y1280 VanDerWaalsContact CD2-CE2 3.45Å; F1245-Y1280 AromaticContact CE2-CD2 3.59Å; F1245-Y1280 HydrophobicContact CE2-CD2 3.59Å; F1245-Y1280 AromaticContact CE2-CE2 3.63Å; F1245-Y1280 HydrophobicContact CE2-CE2 3.63Å; F1245-Y1280 HydrophobicContact CE2-CG 4.44Å; F1245-Y1280 HydrophobicContact CG-CE2 4.35Å; F1245-Y1280 HydrophobicContact CZ-CE2 4.49Å; Y1280-N1284 WeakPolarHBondContact CD1-O 3.28Å; Y1280-V1285 WeakPolarHBondContact CA-O 3.38Å; Y1280-L1286 HydrophobicContact CD1-CB 4.2Å; Y1280-L1286 HydrophobicContact CD2-CD1 4.39Å; Y1280-L1286 HydrophobicContact CE1-CB 3.6Å; Y1280-L1286 HydrophobicContact CE1-CD1 4.17Å; Y1280-L1286 HydrophobicContact CE1-CG 4.33Å; Y1280-L1286 HydrophobicContact CE2-CD1 3.8Å; Y1280-L1286 VanDerWaalsContact CZ-CD1 3.47Å; Y1280-L1286 VanDerWaalsContact OH-CD1 3.29Å; Y1280-L1286 WeakPolarHBondContact OH-CD1 3.38Å |
| 1281 | G | 66.8 | Low | 74.8 | Confident | 7.6 Ų | 7.6 | 63.9 Ų | 63.9 | 8% | 0.078 | 35% | 0.353 | C | S | . | . | trans | -69.1 | 179.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1283 N1284 V1285 | G1281-S1283 PolarHBondContact O-N 3.23Å; G1281-S1283 VanDerWaalsContact O-N 3.1Å; G1281-N1284 PolarHBondContact O-N 3.04Å; G1281-N1284 VanDerWaalsContact O-N 3.08Å; G1281-V1285 PolarHBondContact N-O 2.78Å | ||
| 1282 | S | 61.1 | Low | 75.3 | Confident | 106 Ų | 106 | 61.1 Ų | 61.1 | 74% | 0.741 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -14.4 | 177.5 | 52.4 | 0 | 0 | 0 | 0 | 114.7 | N1284 | S1282-N1284 VanDerWaalsContact C-N 3.34Š|
| 1283 | S | 56.2 | Low | 75.5 | Confident | 64 Ų | 64 | 59.4 Ų | 59.4 | 45% | 0.448 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 7.2 | 174 | 57.2 | 0 | 0 | 0 | 0 | 114.2 | G1281 V1285 | G1281-S1283 PolarHBondContact O-N 3.23Å; G1281-S1283 VanDerWaalsContact O-N 3.1Å; S1283-V1285 PolarHBondContact O-N 3.1Å; S1283-V1285 VanDerWaalsContact O-N 3.13Å; S1283-V1285 WeakPolarHBondContact OG-CG2 3.33Å |
| 1284 | N | 56.5 | Low | 75.7 | Confident | 107.4 Ų | 107.4 | 59.8 Ų | 59.8 | 57% | 0.574 | 32% | 0.324 | S | S | * | . | trans | 55.4 | 23.4 | -174.3 | -76.2 | -10.5 | 0 | 0 | 0 | 114.9 | Y1280 G1281 S1282 L1286 | Y1280-N1284 WeakPolarHBondContact CD1-O 3.28Å; G1281-N1284 PolarHBondContact O-N 3.04Å; G1281-N1284 VanDerWaalsContact O-N 3.08Å; S1282-N1284 VanDerWaalsContact C-N 3.34Å; N1284-L1286 PolarHBondContact O-N 2.79Å | ||
| 1285 | V | 58.1 | Low | 75.8 | Confident | 45 Ų | 45 | 53.3 Ų | 53.3 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | trans | -83.6 | 126.3 | 173.1 | 175.9 | 0 | 0 | 0 | 0 | 109.3 | F1136 I1207 Q1208 A1209 Y1280 G1281 S1283 I1287 | F1136-V1285 HydrophobicContact CE2-CG2 4.5Å; I1207-V1285 HydrophobicContact CB-CG2 4.14Å; I1207-V1285 HydrophobicContact CG2-CG2 4.42Å; I1207-V1285 WeakPolarHBondContact O-CB 3.33Å; I1207-V1285 VanDerWaalsContact O-CG1 3.26Å; I1207-V1285 WeakPolarHBondContact O-CG1 3.3Å; I1207-V1285 VanDerWaalsContact O-CG2 3.28Å; I1207-V1285 WeakPolarHBondContact O-CG2 3.48Å; Q1208-V1285 HydrophobicContact CG-CG1 4.23Å; A1209-V1285 HydrophobicContact CB-CB 3.71Å; A1209-V1285 HydrophobicContact CB-CG1 3.85Å; A1209-V1285 HydrophobicContact CB-CG2 3.64Å; Y1280-V1285 WeakPolarHBondContact CA-O 3.38Å; G1281-V1285 PolarHBondContact N-O 2.78Å; S1283-V1285 PolarHBondContact O-N 3.1Å; S1283-V1285 VanDerWaalsContact O-N 3.13Å; S1283-V1285 WeakPolarHBondContact OG-CG2 3.33Å; V1285-I1287 PolarHBondContact O-N 2.81Å | ||
| 1286 | L | 62.8 | Low | 75.8 | Confident | 64.2 Ų | 64.2 | 54.4 Ų | 54.4 | 34% | 0.336 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 128.1 | 173.1 | 172.8 | 61.7 | 0 | 0 | 0 | 110 | I1180 Y1280 N1284 E1288 | I1180-L1286 HydrophobicContact CD1-CD2 4.22Å; Y1280-L1286 HydrophobicContact CD1-CB 4.2Å; Y1280-L1286 HydrophobicContact CD2-CD1 4.39Å; Y1280-L1286 HydrophobicContact CE1-CB 3.6Å; Y1280-L1286 HydrophobicContact CE1-CD1 4.17Å; Y1280-L1286 HydrophobicContact CE1-CG 4.33Å; Y1280-L1286 HydrophobicContact CE2-CD1 3.8Å; Y1280-L1286 VanDerWaalsContact CZ-CD1 3.47Å; Y1280-L1286 VanDerWaalsContact OH-CD1 3.29Å; Y1280-L1286 WeakPolarHBondContact OH-CD1 3.38Å; N1284-L1286 PolarHBondContact O-N 2.79Å; L1286-E1288 HydrophobicContact CD2-CG 4.3Å; L1286-E1288 HydrophobicContact CG-CG 4.31Å |
| 1287 | I | 66.4 | Low | 76 | Confident | 32.4 Ų | 32.4 | 49.6 Ų | 49.6 | 17% | 0.166 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 111 | 171.5 | -55.6 | 163.2 | 0 | 0 | 0 | 106.9 | G1211 P1212 L1279 V1285 | G1211-I1287 VanDerWaalsContact C-CD1 3.49Å; G1211-I1287 VanDerWaalsContact CA-CD1 3.46Å; P1212-I1287 HydrophobicContact CB-CD1 4.46Å; P1212-I1287 VanDerWaalsContact CD-CD1 3.49Å; P1212-I1287 HydrophobicContact CG-CD1 3.71Å; P1212-I1287 VanDerWaalsContact N-CD1 3.31Å; P1212-I1287 VanDerWaalsContact O-CD1 3.25Å; P1212-I1287 WeakPolarHBondContact O-CD1 3.4Å; P1212-I1287 WeakPolarHBondContact O-CG2 3.18Å; L1279-I1287 HydrophobicContact CB-CB 4.37Å; L1279-I1287 PolarHBondContact N-O 3.07Å; L1279-I1287 WeakPolarHBondContact O-CB 3.16Å; L1279-I1287 PolarHBondContact O-N 3.09Å; V1285-I1287 PolarHBondContact O-N 2.81Å |
| 1288 | E | 63.5 | Low | 76.2 | Confident | 161.6 Ų | 161.6 | 51.2 Ų | 51.2 | 76% | 0.755 | 28% | 0.282 | S | S | * | . | trans | -67 | 140.1 | 175.4 | -65.6 | -175.2 | 158.8 | 0 | 0 | 110.1 | L1286 | L1286-E1288 HydrophobicContact CD2-CG 4.3Å; L1286-E1288 HydrophobicContact CG-CG 4.31Å | ||
| 1289 | S | 74.9 | Confident | 76.7 | Confident | 16.4 Ų | 16.4 | 49.9 Ų | 49.9 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | trans | -132.1 | 140.9 | 174.1 | 122.3 | 0 | 0 | 0 | 0 | 108.8 | I1276 I1277 F1291 | I1276-S1289 VanDerWaalsContact CG2-O 3.28Å; I1276-S1289 WeakPolarHBondContact CG2-O 3.33Å; I1277-S1289 VanDerWaalsContact O-CB 3.27Å; I1277-S1289 WeakPolarHBondContact O-CB 3.28Å; I1277-S1289 PolarHBondContact O-OG 2.94Å; S1289-F1291 PolarHBondContact O-N 3.27Å; S1289-F1291 WeakPolarHBondContact OG-CB 3.29Å; S1289-F1291 PolarHBondContact OG-N 3.11Å | ||
| 1290 | D | 78.5 | Confident | 77.2 | Confident | 167.2 Ų | 167.2 | 51.3 Ų | 51.3 | 89% | 0.894 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -78.8 | -1.4 | 176.2 | -62.2 | -35.8 | 0 | 0 | 0 | 112.8 | ||
| 1291 | F | 87.7 | Confident | 78 | Confident | 67.6 Ų | 67.6 | 49.6 Ų | 49.6 | 30% | 0.296 | 28% | 0.282 | S | S | . | . | trans | -86.6 | 136.6 | -177.6 | -62.5 | -87 | 0 | 0 | 0 | 112 | I1214 T1215 V1217 I1276 I1277 S1289 | I1214-F1291 HydrophobicContact CB-CD2 3.75Å; I1214-F1291 HydrophobicContact CB-CE2 4.11Å; I1214-F1291 HydrophobicContact CB-CG 4.41Å; I1214-F1291 HydrophobicContact CG2-CB 4.27Å; I1214-F1291 HydrophobicContact CG2-CD1 4.38Å; I1214-F1291 HydrophobicContact CG2-CD2 3.39Å; I1214-F1291 VanDerWaalsContact CG2-CD2 3.41Å; I1214-F1291 HydrophobicContact CG2-CE2 3.8Å; I1214-F1291 HydrophobicContact CG2-CG 3.79Å; I1214-F1291 HydrophobicContact CG2-CZ 4.45Å; I1214-F1291 VanDerWaalsContact O-CE2 3.27Å; I1214-F1291 WeakPolarHBondContact O-CE2 3.32Å; T1215-F1291 VanDerWaalsContact C-CZ 3.45Å; T1215-F1291 WeakPolarHBondContact O-CZ 3.25Å; V1217-F1291 HydrophobicContact CB-CB 4.38Å; V1217-F1291 HydrophobicContact CB-CD1 4.35Å; V1217-F1291 HydrophobicContact CG2-CB 3.52Å; V1217-F1291 VanDerWaalsContact CG2-CB 3.49Å; V1217-F1291 HydrophobicContact CG2-CD1 4Å; V1217-F1291 HydrophobicContact CG2-CG 3.89Å; I1276-F1291 CarbonylContact C-O 3.44Å; I1276-F1291 WeakPolarHBondContact CA-O 3.37Å; I1277-F1291 PolarHBondContact N-O 2.79Å; S1289-F1291 PolarHBondContact O-N 3.27Å; S1289-F1291 WeakPolarHBondContact OG-CB 3.29Å; S1289-F1291 PolarHBondContact OG-N 3.11Å | ||
| 1292 | S | 88.4 | Confident | 79.3 | Confident | 29.4 Ų | 29.4 | 49.6 Ų | 49.6 | 21% | 0.206 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 159.6 | 178.7 | 71.2 | 0 | 0 | 0 | 0 | 112 | E1274 K1275 | E1274-S1292 WeakPolarHBondContact OE2-CB 3.48Å; E1274-S1292 PolarHBondContact OE2-OG 3.11Å; K1275-S1292 CarbonylContact O-C 3.55Å; K1275-S1292 VanDerWaalsContact O-CA 3.25Å; K1275-S1292 WeakPolarHBondContact O-CA 3.27Å |
| 1293 | V | 88.5 | Confident | 80.7 | Confident | 0.6 Ų | 0.6 | 52.1 Ų | 52.1 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.2 | 170.5 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | V1217 A1223 I1231 V1246 E1274 K1275 I1277 Y1295 | V1217-V1293 HydrophobicContact CG1-CG2 4.3Å; A1223-V1293 HydrophobicContact CB-CG1 3.82Å; I1231-V1293 HydrophobicContact CD1-CB 4.22Å; I1231-V1293 HydrophobicContact CD1-CG1 3.39Å; I1231-V1293 VanDerWaalsContact CD1-CG1 3.42Å; I1231-V1293 HydrophobicContact CD1-CG2 3.73Å; I1231-V1293 HydrophobicContact CG1-CG1 4.39Å; I1231-V1293 HydrophobicContact CG2-CG2 4.42Å; V1246-V1293 HydrophobicContact CG1-CB 3.98Å; V1246-V1293 HydrophobicContact CG1-CG2 3.92Å; V1246-V1293 HydrophobicContact CG2-CG2 4.49Å; E1274-V1293 CarbonylContact C-O 3.58Å; E1274-V1293 WeakPolarHBondContact CA-O 3.31Å; K1275-V1293 PolarHBondContact N-O 3.2Å; K1275-V1293 PolarHBondContact O-N 3.26Å; I1277-V1293 HydrophobicContact CD1-CG2 3.69Å; I1277-V1293 HydrophobicContact CG1-CG2 3.85Å; V1293-Y1295 HydrophobicContact CB-CD2 4.33Å; V1293-Y1295 HydrophobicContact CB-CE2 3.86Å; V1293-Y1295 HydrophobicContact CG1-CD2 3.94Å; V1293-Y1295 HydrophobicContact CG1-CE2 3.46Å; V1293-Y1295 VanDerWaalsContact CG1-CE2 3.45Å; V1293-Y1295 WeakPolarHBondContact O-CD2 3.39Å; V1293-Y1295 PolarHBondContact O-N 2.79Å |
| 1294 | T | 89 | Confident | 82.2 | Confident | 39.2 Ų | 39.2 | 51 Ų | 51 | 24% | 0.24 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 122.1 | 177.4 | -51.2 | 0 | 0 | 0 | 0 | 110.4 | Q1219 I1222 A1223 E1274 | Q1219-T1294 PolarHBondContact NE2-O 2.93Å; Q1219-T1294 PolarHBondContact NE2-OG1 2.93Å; I1222-T1294 HydrophobicContact CG2-CG2 4.29Å; A1223-T1294 WeakPolarHBondContact CB-O 3.01Å; A1223-T1294 PolarHBondContact N-O 2.99Å; A1223-T1294 VanDerWaalsContact N-O 3.14Å; E1274-T1294 HydrophobicContact CG-CG2 4.49Å |
| 1295 | Y | 89.5 | Confident | 83.8 | Confident | 0.6 Ų | 0.6 | 47.5 Ų | 47.5 | 0% | 0.002 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 135.1 | 174.1 | -74.4 | -101.9 | 0 | 0 | 0 | 111.6 | A1223 S1224 V1246 A1266 P1267 Q1269 N1272 G1273 K1275 V1293 | A1223-Y1295 HydrophobicContact CB-CD1 3.68Å; A1223-Y1295 HydrophobicContact CB-CD2 4.29Å; A1223-Y1295 HydrophobicContact CB-CE1 3.72Å; A1223-Y1295 HydrophobicContact CB-CE2 4.31Å; A1223-Y1295 HydrophobicContact CB-CG 4.01Å; A1223-Y1295 CarbonylContact O-C 3.47Å; A1223-Y1295 VanDerWaalsContact O-CA 3.28Å; A1223-Y1295 WeakPolarHBondContact O-CA 3.18Å; S1224-Y1295 VanDerWaalsContact O-CD1 3.24Å; S1224-Y1295 WeakPolarHBondContact O-CD1 3.31Å; S1224-Y1295 VanDerWaalsContact O-CE1 3.27Å; S1224-Y1295 WeakPolarHBondContact O-CE1 3.38Å; V1246-Y1295 HydrophobicContact CG1-CE2 3.93Å; A1266-Y1295 HydrophobicContact CB-CE1 4.15Å; A1266-Y1295 WeakPolarHBondContact CB-OH 3.34Å; P1267-Y1295 VanDerWaalsContact CD-OH 3.26Å; P1267-Y1295 WeakPolarHBondContact CD-OH 3.36Å; P1267-Y1295 VanDerWaalsContact O-CE1 3.26Å; P1267-Y1295 WeakPolarHBondContact O-CE1 3.36Å; P1267-Y1295 PolarHBondContact O-OH 3.02Å; P1267-Y1295 VanDerWaalsContact O-OH 3.11Å; Q1269-Y1295 HydrophobicContact CB-CD1 4.07Å; Q1269-Y1295 HydrophobicContact CB-CE1 4.18Å; Q1269-Y1295 HydrophobicContact CB-CG 4.37Å; Q1269-Y1295 HydrophobicContact CG-CD1 3.75Å; Q1269-Y1295 HydrophobicContact CG-CD2 3.98Å; Q1269-Y1295 HydrophobicContact CG-CE1 3.5Å; Q1269-Y1295 VanDerWaalsContact CG-CE1 3.47Å; Q1269-Y1295 HydrophobicContact CG-CE2 3.75Å; Q1269-Y1295 HydrophobicContact CG-CG 3.96Å; Q1269-Y1295 VanDerWaalsContact CG-CZ 3.47Å; N1272-Y1295 WeakPolarHBondContact CA-O 3.15Å; G1273-Y1295 PolarHBondContact N-O 2.97Å; G1273-Y1295 PolarHBondContact O-N 2.92Å; K1275-Y1295 HydrophobicContact CB-CD2 4.08Å; K1275-Y1295 HydrophobicContact CB-CE2 3.99Å; K1275-Y1295 HydrophobicContact CG-CD2 3.55Å; K1275-Y1295 VanDerWaalsContact CG-CD2 3.42Å; K1275-Y1295 HydrophobicContact CG-CE2 3.83Å; K1275-Y1295 HydrophobicContact CG-CG 4.32Å; V1293-Y1295 HydrophobicContact CB-CD2 4.33Å; V1293-Y1295 HydrophobicContact CB-CE2 3.86Å; V1293-Y1295 HydrophobicContact CG1-CD2 3.94Å; V1293-Y1295 HydrophobicContact CG1-CE2 3.46Å; V1293-Y1295 VanDerWaalsContact CG1-CE2 3.45Å; V1293-Y1295 WeakPolarHBondContact O-CD2 3.39Å; V1293-Y1295 PolarHBondContact O-N 2.79Å |
| 1296 | K | 87.8 | Confident | 85.2 | Confident | 56.6 Ų | 56.6 | 46 Ų | 46 | 25% | 0.246 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149.2 | 169.8 | -73.5 | -174.8 | 168.5 | -162.2 | 0 | 111.6 | I1222 A1223 E1298 E1320 G1321 | I1222-K1296 HydrophobicContact CD1-CD 4.19Å; I1222-K1296 HydrophobicContact CG2-CB 3.75Å; I1222-K1296 HydrophobicContact CG2-CD 4.13Å; I1222-K1296 HydrophobicContact CG2-CG 3.9Å; A1223-K1296 PolarHBondContact O-N 2.91Å; A1223-K1296 VanDerWaalsContact O-N 3.07Å; K1296-E1298 HydrophobicContact CB-CG 4.5Å; K1296-E1298 HydrophobicContact CD-CG 4.28Å; K1296-E1298 WeakPolarHBondContact CD-OE1 3.41Å; K1296-E1298 WeakPolarHBondContact CE-OE1 3.35Å; K1296-E1298 IonicContact NZ-OE1 3.41Å; K1296-E1298 PolarHBondContact NZ-OE1 3Å; K1296-E1298 IonicContact NZ-OE2 3.78Å; K1296-E1320 HydrophobicContact CB-CB 4.46Å; K1296-E1320 HydrophobicContact CB-CG 4.33Å; K1296-E1320 HydrophobicContact CD-CB 4.3Å; K1296-E1320 HydrophobicContact CD-CG 4.02Å; K1296-E1320 WeakPolarHBondContact CD-OE2 3.31Å; K1296-E1320 WeakPolarHBondContact CE-OE2 3.19Å; K1296-E1320 IonicContact NZ-OE1 3.43Å; K1296-E1320 PolarHBondContact NZ-OE1 3.45Å; K1296-E1320 VanDerWaalsContact NZ-OE1 3.17Å; K1296-E1320 IonicContact NZ-OE2 3.42Å; K1296-E1320 PolarHBondContact NZ-OE2 3.05Å; K1296-G1321 WeakPolarHBondContact O-CA 3.27Å |
| 1297 | F | 91.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -154.7 | 93.9 | 167.3 | -172.3 | -133.8 | 0 | 0 | 0 | 107 | V1225 N1272 E1320 G1321 F1322 V1326 V1479 T1481 S1484 A1486 I1487 | V1225-F1297 HydrophobicContact CB-CB 4.23Å; V1225-F1297 HydrophobicContact CG1-CB 3.78Å; V1225-F1297 HydrophobicContact CG2-CB 3.46Å; V1225-F1297 VanDerWaalsContact CG2-CB 3.46Å; V1225-F1297 HydrophobicContact CG2-CD1 3.61Å; V1225-F1297 HydrophobicContact CG2-CD2 4.29Å; V1225-F1297 HydrophobicContact CG2-CE1 4.39Å; V1225-F1297 HydrophobicContact CG2-CG 3.55Å; V1225-F1297 VanDerWaalsContact CG2-CG 3.46Å; N1272-F1297 PolarHBondContact ND2-N 3.06Å; N1272-F1297 VanDerWaalsContact ND2-N 3.15Å; N1272-F1297 PolarHBondContact ND2-O 2.72Å; N1272-F1297 VanDerWaalsContact ND2-O 3.12Å; N1272-F1297 PolarHBondContact OD1-N 2.96Å; F1297-E1320 VanDerWaalsContact CA-O 3.32Å; F1297-E1320 WeakPolarHBondContact CA-O 3.36Å; F1297-G1321 WeakPolarHBondContact CD2-O 3.22Å; F1297-F1322 HydrophobicContact CD2-CD1 4.38Å; F1297-F1322 HydrophobicContact CE2-CD1 4.04Å; F1297-V1326 HydrophobicContact CE2-CG1 3.74Å; F1297-V1326 HydrophobicContact CE2-CG2 3.97Å; F1297-V1326 HydrophobicContact CZ-CG1 4.09Å; F1297-V1326 HydrophobicContact CZ-CG2 4.15Å; F1297-V1479 HydrophobicContact CE2-CG1 4.2Å; F1297-V1479 HydrophobicContact CZ-CG1 4.01Å; F1297-T1481 HydrophobicContact CE1-CG2 4.05Å; F1297-T1481 HydrophobicContact CE2-CG2 4.03Å; F1297-T1481 HydrophobicContact CZ-CG2 3.55Å; F1297-S1484 WeakPolarHBondContact CD1-OG 3.41Å; F1297-S1484 WeakPolarHBondContact CE1-O 3.21Å; F1297-A1486 VanDerWaalsContact CD1-CA 3.43Å; F1297-A1486 HydrophobicContact CD1-CB 3.7Å; F1297-A1486 HydrophobicContact CD2-CB 4.21Å; F1297-A1486 HydrophobicContact CE1-CB 3.68Å; F1297-A1486 HydrophobicContact CE2-CB 4.18Å; F1297-A1486 HydrophobicContact CG-CB 3.97Å; F1297-A1486 HydrophobicContact CZ-CB 3.91Å; F1297-A1486 CarbonylContact O-C 3.49Å; F1297-A1486 VanDerWaalsContact O-CA 3.29Å; F1297-A1486 WeakPolarHBondContact O-CA 3.38Å; F1297-I1487 PolarHBondContact O-N 2.84Å | ||
| 1298 | E | 92 | Very high | 87.7 | Confident | 32.6 Ų | 32.6 | 41.5 Ų | 41.5 | 15% | 0.152 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 148.7 | -169.2 | 61.9 | -170.9 | -164.7 | 0 | 0 | 112.8 | K1296 G1319 E1320 F1322 I1487 T1489 | K1296-E1298 HydrophobicContact CB-CG 4.5Å; K1296-E1298 HydrophobicContact CD-CG 4.28Å; K1296-E1298 WeakPolarHBondContact CD-OE1 3.41Å; K1296-E1298 WeakPolarHBondContact CE-OE1 3.35Å; K1296-E1298 IonicContact NZ-OE1 3.41Å; K1296-E1298 PolarHBondContact NZ-OE1 3Å; K1296-E1298 IonicContact NZ-OE2 3.78Å; E1298-G1319 CarbonylContact O-C 3.57Å; E1298-G1319 WeakPolarHBondContact O-CA 3.28Å; E1298-E1320 HydrophobicContact CG-CB 3.99Å; E1298-E1320 PolarHBondContact N-O 3.1Å; E1298-E1320 PolarHBondContact O-N 2.7Å; E1298-F1322 WeakPolarHBondContact O-CE1 3.3Å; E1298-I1487 CarbonylContact C-O 3.55Å; E1298-I1487 WeakPolarHBondContact CA-O 3.41Å; E1298-I1487 VanDerWaalsContact CB-O 3.32Å; E1298-I1487 WeakPolarHBondContact CB-O 3.28Å; E1298-T1489 HydrophobicContact CB-CG2 4.02Å; E1298-T1489 HydrophobicContact CG-CG2 4.5Å; E1298-T1489 WeakPolarHBondContact OE2-CG2 3.47Å |
| 1299 | I | 94.3 | Very high | 89 | Confident | 0.2 Ų | 0.2 | 33.9 Ų | 33.9 | 0% | 0.001 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.8 | 175.1 | -52.7 | 163.7 | 0 | 0 | 0 | 107.3 | I1317 L1477 V1479 A1486 I1487 T1489 H1522 | I1299-I1317 HydrophobicContact CG2-CG2 3.95Å; I1299-L1477 HydrophobicContact CD1-CD2 4.37Å; I1299-L1477 HydrophobicContact CD1-CG 4.36Å; I1299-L1477 HydrophobicContact CG2-CD2 3.91Å; I1299-V1479 HydrophobicContact CD1-CB 3.81Å; I1299-V1479 HydrophobicContact CD1-CG2 3.57Å; I1299-V1479 HydrophobicContact CG1-CB 4Å; I1299-V1479 HydrophobicContact CG1-CG2 3.8Å; I1299-A1486 HydrophobicContact CD1-CB 4.07Å; I1299-A1486 HydrophobicContact CG1-CB 3.73Å; I1299-I1487 PolarHBondContact N-O 2.94Å; I1299-T1489 PolarHBondContact O-N 3.05Å; I1299-T1489 VanDerWaalsContact O-O 3.14Å; I1299-T1489 PolarHBondContact O-OG1 2.93Å; I1299-H1522 HydrophobicContact CG2-CB 4.48Å; I1299-H1522 WeakPolarHBondContact CG2-ND1 3.27Å; I1299-H1522 PolarHBondContact O-CD2 2.76Å; I1299-H1522 PolarHBondContact O-CE1 3.14Å; I1299-H1522 VanDerWaalsContact O-CE1 3.24Å; I1299-H1522 PolarHBondContact O-ND1 3.03Å; I1299-H1522 PolarHBondContact O-NE2 2.76Å |
| 1300 | A | 93 | Very high | 89.7 | Confident | 31.6 Ų | 31.6 | 34.6 Ų | 34.6 | 26% | 0.261 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -16.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1318 H1522 | A1300-V1318 WeakPolarHBondContact CA-O 3.37Å; A1300-V1318 HydrophobicContact CB-CG2 4.36Å; A1300-V1318 PolarHBondContact N-O 3.12Å; A1300-H1522 VanDerWaalsContact C-CE1 3.45Å; A1300-H1522 VanDerWaalsContact C-NE2 3.3Å; A1300-H1522 PolarHBondContact O-CE1 2.88Å; A1300-H1522 VanDerWaalsContact O-CE1 3.27Å; A1300-H1522 PolarHBondContact O-NE2 3.01Å |
| 1301 | G | 92.6 | Very high | 90.4 | Very high | 12 Ų | 12 | 26.7 Ų | 26.7 | 12% | 0.124 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.4 | 166.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I1317 V1318 H1522 | G1301-I1317 WeakPolarHBondContact O-CA 3.25Å; G1301-V1318 PolarHBondContact N-O 2.77Å; G1301-V1318 VanDerWaalsContact N-O 3.09Å; G1301-V1318 PolarHBondContact O-N 2.92Å; G1301-H1522 PolarHBondContact N-CE1 3.28Å |
| 1302 | I | 92.5 | Very high | 90.5 | Very high | 6.4 Ų | 6.4 | 24 Ų | 24 | 3% | 0.033 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 134.4 | 175.9 | 174 | 167.4 | 0 | 0 | 0 | 109.7 | Q1305 V1315 N1316 I1317 M1330 L1477 H1522 F1524 | I1302-Q1305 HydrophobicContact CG2-CG 4.24Å; I1302-Q1305 WeakPolarHBondContact O-CG 3.32Å; I1302-V1315 HydrophobicContact CD1-CB 4.19Å; I1302-V1315 HydrophobicContact CD1-CG1 4.23Å; I1302-V1315 VanDerWaalsContact CD1-CG1 3.5Å; I1302-V1315 HydrophobicContact CD1-CG2 4.31Å; I1302-V1315 HydrophobicContact CG1-CB 4.28Å; I1302-V1315 HydrophobicContact CG1-CG1 3.41Å; I1302-V1315 VanDerWaalsContact CG1-CG1 3.41Å; I1302-N1316 CarbonylContact C-O 3.57Å; I1302-N1316 WeakPolarHBondContact CA-O 3.24Å; I1302-I1317 HydrophobicContact CB-CG1 4.45Å; I1302-I1317 HydrophobicContact CD1-CG1 4.38Å; I1302-I1317 HydrophobicContact CG1-CG1 4.34Å; I1302-M1330 HydrophobicContact CD1-CE 3.8Å; I1302-L1477 HydrophobicContact CB-CD2 3.89Å; I1302-L1477 HydrophobicContact CD1-CD1 4.28Å; I1302-L1477 HydrophobicContact CD1-CD2 3.91Å; I1302-L1477 HydrophobicContact CD1-CG 4.46Å; I1302-L1477 HydrophobicContact CG1-CD2 4.43Å; I1302-L1477 HydrophobicContact CG2-CD2 4.13Å; I1302-H1522 HydrophobicContact CG2-CB 4.04Å; I1302-F1524 HydrophobicContact CD1-CB 4.29Å; I1302-F1524 HydrophobicContact CD1-CD2 4.18Å |
| 1303 | K | 90.5 | Very high | 90.7 | Very high | 158.4 Ų | 158.4 | 23.2 Ų | 23.2 | 69% | 0.689 | 13% | 0.127 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 139.6 | 172.3 | -69.4 | -169.3 | 177.5 | -173.9 | 0 | 112.5 | N1316 | K1303-N1316 PolarHBondContact N-O 2.84Å; K1303-N1316 PolarHBondContact O-N 2.94Å |
| 1304 | P | 89.5 | Confident | 90.9 | Very high | 42.6 Ų | 42.6 | 26.1 Ų | 26.1 | 28% | 0.277 | 14% | 0.141 | S | C | . | . | cis | -67.9 | 168.5 | -13.2 | 30.9 | -34.2 | 0 | 0 | 0 | 111.5 | Q1313 I1314 | P1304-Q1313 HydrophobicContact CG-CG 3.97Å; P1304-Q1313 VanDerWaalsContact CG-NE2 3.27Å; P1304-I1314 WeakPolarHBondContact CD-O 3.32Å | ||
| 1305 | Q | 89.1 | Confident | 91.1 | Very high | 33 Ų | 33 | 24.2 Ų | 24.2 | 15% | 0.154 | 13% | 0.13 | C | C | . | . | trans | -102.4 | 3.1 | -179 | -60.1 | -169 | -70 | 0 | 0 | 113.4 | I1302 W1497 G1523 F1524 V1525 | I1302-Q1305 HydrophobicContact CG2-CG 4.24Å; I1302-Q1305 WeakPolarHBondContact O-CG 3.32Å; Q1305-W1497 HydrophobicContact CB-CE3 3.79Å; Q1305-W1497 HydrophobicContact CB-CZ3 3.66Å; Q1305-W1497 VanDerWaalsContact CB-CZ3 3.48Å; Q1305-W1497 HydrophobicContact CG-CE3 4.17Å; Q1305-W1497 HydrophobicContact CG-CZ3 4Å; Q1305-G1523 PolarHBondContact NE2-O 3.49Å; Q1305-G1523 VanDerWaalsContact NE2-O 3.15Å; Q1305-F1524 VanDerWaalsContact C-CD2 3.45Å; Q1305-F1524 CarbonylContact O-C 3.52Å; Q1305-F1524 WeakPolarHBondContact O-CA 3.39Å; Q1305-F1524 WeakPolarHBondContact O-CD2 3.43Å; Q1305-V1525 PolarHBondContact O-N 3.02Å | ||
| 1306 | I | 88.3 | Confident | 91.3 | Very high | 12.8 Ų | 12.8 | 27.8 Ų | 27.8 | 7% | 0.066 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148 | -175.5 | -60.1 | 177.8 | 0 | 0 | 0 | 109.1 | Q1313 W1497 D1498 L1500 F1524 V1525 R1527 A1530 | I1306-Q1313 WeakPolarHBondContact O-CG 3.46Å; I1306-W1497 HydrophobicContact CD1-CB 4.21Å; I1306-D1498 WeakPolarHBondContact CD1-O 3.35Å; I1306-L1500 HydrophobicContact CD1-CB 4.11Å; I1306-L1500 HydrophobicContact CD1-CD1 4.33Å; I1306-L1500 HydrophobicContact CD1-CD2 3.93Å; I1306-L1500 HydrophobicContact CD1-CG 4.24Å; I1306-L1500 HydrophobicContact CG1-CD2 4.32Å; I1306-L1500 HydrophobicContact CG2-CD2 4.21Å; I1306-F1524 VanDerWaalsContact C-CZ 3.47Å; I1306-F1524 WeakPolarHBondContact O-CE2 2.95Å; I1306-V1525 VanDerWaalsContact CA-O 3.31Å; I1306-V1525 WeakPolarHBondContact CA-O 3.29Å; I1306-V1525 HydrophobicContact CB-CG1 4.37Å; I1306-V1525 HydrophobicContact CD1-CG1 4.25Å; I1306-V1525 HydrophobicContact CG1-CG1 3.71Å; I1306-V1525 HydrophobicContact CG2-CB 4.16Å; I1306-V1525 HydrophobicContact CG2-CG1 4.34Å; I1306-R1527 HydrophobicContact CG2-CB 4.36Å; I1306-R1527 HydrophobicContact CG2-CG 3.94Å; I1306-A1530 HydrophobicContact CG2-CB 4.1Å |
| 1307 | G | 90 | Very high | 91.7 | Very high | 0.2 Ų | 0.2 | 25.2 Ų | 25.2 | 0% | 0.002 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 179.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q1313 F1524 V1525 Y1526 R1527 L1613 | G1307-Q1313 VanDerWaalsContact CA-CD 3.48Å; G1307-F1524 VanDerWaalsContact N-CZ 3.32Å; G1307-V1525 PolarHBondContact N-O 3.19Å; G1307-V1525 VanDerWaalsContact N-O 3.13Å; G1307-Y1526 WeakPolarHBondContact O-CA 3.21Å; G1307-R1527 PolarHBondContact O-N 3.05Å; G1307-L1613 CarbonylContact C-O 3.42Å |
| 1308 | S | 91.3 | Very high | 91.9 | Very high | 3.2 Ų | 3.2 | 28.5 Ų | 28.5 | 2% | 0.022 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 138.2 | 178.3 | 170.9 | 0 | 0 | 0 | 0 | 112.3 | V1310 G1311 Q1313 Y1526 T1531 L1613 L1615 | S1308-V1310 PolarHBondContact O-N 3.14Å; S1308-V1310 WeakPolarHBondContact OG-CG2 3.26Å; S1308-V1310 PolarHBondContact OG-N 3.06Å; S1308-G1311 WeakPolarHBondContact O-CA 3.28Å; S1308-G1311 PolarHBondContact O-N 3.13Å; S1308-Q1313 VanDerWaalsContact N-CD 3.33Å; S1308-Q1313 PolarHBondContact O-NE2 2.76Å; S1308-Q1313 PolarHBondContact O-OE1 3.41Å; S1308-Y1526 VanDerWaalsContact O-CD1 3.26Å; S1308-Y1526 WeakPolarHBondContact O-CD1 3.36Å; S1308-T1531 WeakPolarHBondContact CA-OG1 3.45Å; S1308-T1531 VanDerWaalsContact OG-CG2 3.29Å; S1308-T1531 WeakPolarHBondContact OG-CG2 3.37Å; S1308-T1531 PolarHBondContact OG-OG1 3.02Å; S1308-L1613 WeakPolarHBondContact CA-O 3.36Å; S1308-L1613 WeakPolarHBondContact CB-O 3.28Å; S1308-L1613 PolarHBondContact N-O 3.22Å; S1308-L1613 VanDerWaalsContact N-O 3.16Å; S1308-L1615 VanDerWaalsContact CB-O 3.31Å; S1308-L1615 WeakPolarHBondContact CB-O 3.26Å; S1308-L1615 PolarHBondContact OG-O 2.99Å |
| 1309 | F | 89.9 | Confident | 91.9 | Very high | 1.8 Ų | 1.8 | 27.4 Ų | 27.4 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -22.2 | 175.2 | 119 | -90.8 | 0 | 0 | 0 | 113.3 | G1311 M1365 V1366 I1394 Q1395 F1470 D1471 C1473 T1531 L1617 | F1309-G1311 PolarHBondContact O-N 3.01Å; F1309-M1365 HydrophobicContact CD1-CB 3.96Å; F1309-M1365 HydrophobicContact CE1-CB 3.67Å; F1309-M1365 HydrophobicContact CE2-CB 4.37Å; F1309-M1365 HydrophobicContact CG-CB 4.42Å; F1309-M1365 HydrophobicContact CZ-CB 3.89Å; F1309-M1365 WeakPolarHBondContact O-CB 3.29Å; F1309-M1365 PolarHBondContact O-N 3.27Å; F1309-V1366 HydrophobicContact CD1-CG1 4.38Å; F1309-V1366 HydrophobicContact CD2-CG1 4.28Å; F1309-V1366 HydrophobicContact CD2-CG2 4.05Å; F1309-V1366 HydrophobicContact CE2-CG1 3.9Å; F1309-V1366 HydrophobicContact CE2-CG2 3.95Å; F1309-I1394 HydrophobicContact CD2-CD1 4.23Å; F1309-I1394 HydrophobicContact CE1-CG2 4.25Å; F1309-I1394 HydrophobicContact CE2-CD1 4.23Å; F1309-I1394 HydrophobicContact CZ-CD1 3.84Å; F1309-I1394 HydrophobicContact CZ-CG2 4.22Å; F1309-Q1395 HydrophobicContact CE1-CG 4.33Å; F1309-Q1395 HydrophobicContact CE2-CG 4.47Å; F1309-Q1395 VanDerWaalsContact CE2-O 3.27Å; F1309-Q1395 WeakPolarHBondContact CE2-O 3.11Å; F1309-Q1395 HydrophobicContact CZ-CG 3.76Å; F1309-F1470 HydrophobicContact CB-CD1 3.56Å; F1309-F1470 HydrophobicContact CB-CD2 3.97Å; F1309-F1470 HydrophobicContact CB-CE1 3.52Å; F1309-F1470 HydrophobicContact CB-CE2 3.73Å; F1309-F1470 HydrophobicContact CB-CG 4.05Å; F1309-F1470 HydrophobicContact CB-CZ 3.75Å; F1309-F1470 VanDerWaalsContact CB-CZ 3.43Å; F1309-F1470 HydrophobicContact CD1-CB 3.73Å; F1309-F1470 AromaticContact CD1-CD1 3.49Å; F1309-F1470 HydrophobicContact CD1-CD1 3.49Å; F1309-F1470 VanDerWaalsContact CD1-CD1 3.44Å; F1309-F1470 HydrophobicContact CD1-CD2 4.13Å; F1309-F1470 AromaticContact CD1-CE1 3.42Å; F1309-F1470 HydrophobicContact CD1-CE1 3.82Å; F1309-F1470 VanDerWaalsContact CD1-CE1 3.49Å; F1309-F1470 AromaticContact CD1-CG 3.51Å; F1309-F1470 HydrophobicContact CD1-CG 3.51Å; F1309-F1470 VanDerWaalsContact CD1-CG 3.48Å; F1309-F1470 HydrophobicContact CD2-CB 4.27Å; F1309-F1470 HydrophobicContact CD2-CD1 4.19Å; F1309-F1470 AromaticContact CD2-CD2 3.46Å; F1309-F1470 HydrophobicContact CD2-CD2 3.46Å; F1309-F1470 AromaticContact CD2-CE2 3.81Å; F1309-F1470 HydrophobicContact CD2-CE2 3.81Å; F1309-F1470 AromaticContact CD2-CG 3.74Å; F1309-F1470 HydrophobicContact CD2-CG 3.74Å; F1309-F1470 HydrophobicContact CD2-CZ 4.37Å; F1309-F1470 HydrophobicContact CE1-CB 3.7Å; F1309-F1470 HydrophobicContact CE1-CD1 4.26Å; F1309-F1470 HydrophobicContact CE1-CE1 4.24Å; F1309-F1470 HydrophobicContact CE1-CG 4Å; F1309-F1470 HydrophobicContact CE2-CB 4.22Å; F1309-F1470 AromaticContact CE2-CD2 3.93Å; F1309-F1470 HydrophobicContact CE2-CD2 4Å; F1309-F1470 HydrophobicContact CE2-CG 4.17Å; F1309-F1470 HydrophobicContact CG-CB 4.07Å; F1309-F1470 AromaticContact CG-CD1 3.47Å; F1309-F1470 HydrophobicContact CG-CD1 3.47Å; F1309-F1470 VanDerWaalsContact CG-CD1 3.44Å; F1309-F1470 AromaticContact CG-CD2 3.57Å; F1309-F1470 HydrophobicContact CG-CD2 3.57Å; F1309-F1470 AromaticContact CG-CE1 3.79Å; F1309-F1470 HydrophobicContact CG-CE1 3.79Å; F1309-F1470 AromaticContact CG-CE2 3.85Å; F1309-F1470 HydrophobicContact CG-CE2 3.85Å; F1309-F1470 AromaticContact CG-CG 3.42Å; F1309-F1470 HydrophobicContact CG-CG 3.9Å; F1309-F1470 VanDerWaalsContact CG-CG 3.42Å; F1309-F1470 AromaticContact CG-CZ 3.97Å; F1309-F1470 HydrophobicContact CG-CZ 3.97Å; F1309-F1470 HydrophobicContact CZ-CB 3.97Å; F1309-F1470 HydrophobicContact CZ-CG 4.32Å; F1309-D1471 WeakPolarHBondContact CD2-O 3.41Å; F1309-C1473 HydrophobicContact CD2-CB 4.31Å; F1309-C1473 HydrophobicContact CE2-CB 3.82Å; F1309-T1531 HydrophobicContact CB-CG2 4.41Å; F1309-T1531 WeakPolarHBondContact CB-OG1 3.18Å; F1309-T1531 HydrophobicContact CD1-CG2 3.84Å; F1309-T1531 WeakPolarHBondContact CD1-OG1 3.42Å; F1309-T1531 HydrophobicContact CE1-CG2 3.61Å; F1309-T1531 HydrophobicContact CZ-CG2 4.47Å; F1309-T1531 PolarHBondContact N-OG1 2.92Å; F1309-T1531 VanDerWaalsContact N-OG1 3.15Å; F1309-L1617 HydrophobicContact CZ-CD1 4.38Å; F1309-L1617 HydrophobicContact CZ-CD2 4.14Å |
| 1310 | V | 90.7 | Very high | 91.7 | Very high | 30 Ų | 30 | 30.3 Ų | 30.3 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 2.1 | 173 | -99.3 | 0 | 0 | 0 | 0 | 112.4 | S1308 S1364 V1366 F1470 T1531 L1615 L1617 | S1308-V1310 PolarHBondContact O-N 3.14Å; S1308-V1310 WeakPolarHBondContact OG-CG2 3.26Å; S1308-V1310 PolarHBondContact OG-N 3.06Å; V1310-S1364 VanDerWaalsContact C-OG 3.31Å; V1310-S1364 VanDerWaalsContact CA-OG 3.26Å; V1310-S1364 WeakPolarHBondContact CA-OG 3.44Å; V1310-S1364 VanDerWaalsContact O-CA 3.3Å; V1310-S1364 WeakPolarHBondContact O-CA 3.39Å; V1310-S1364 VanDerWaalsContact O-CB 3.23Å; V1310-S1364 WeakPolarHBondContact O-CB 3.43Å; V1310-S1364 PolarHBondContact O-OG 2.78Å; V1310-V1366 HydrophobicContact CG1-CG1 3.99Å; V1310-V1366 HydrophobicContact CG1-CG2 3.96Å; V1310-F1470 HydrophobicContact CG1-CE1 4.18Å; V1310-F1470 HydrophobicContact CG1-CZ 3.69Å; V1310-F1470 HydrophobicContact CG2-CE1 4.37Å; V1310-F1470 HydrophobicContact CG2-CZ 3.86Å; V1310-T1531 HydrophobicContact CG2-CG2 4.1Å; V1310-L1615 HydrophobicContact CB-CB 4.22Å; V1310-L1615 HydrophobicContact CG1-CB 4.16Å; V1310-L1615 HydrophobicContact CG2-CB 3.86Å; V1310-L1615 WeakPolarHBondContact CG2-O 3.18Å; V1310-L1617 HydrophobicContact CG1-CB 4.22Å; V1310-L1617 HydrophobicContact CG1-CD1 4.08Å; V1310-L1617 HydrophobicContact CG2-CB 4.14Å; V1310-L1617 HydrophobicContact CG2-CD1 4.07Å |
| 1311 | G | 91.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | trans | 82 | -159.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S1308 F1309 Q1313 T1362 T1363 L1615 | S1308-G1311 WeakPolarHBondContact O-CA 3.28Å; S1308-G1311 PolarHBondContact O-N 3.13Å; F1309-G1311 PolarHBondContact O-N 3.01Å; G1311-Q1313 VanDerWaalsContact C-N 3.3Å; G1311-Q1313 PolarHBondContact O-N 3.09Å; G1311-Q1313 PolarHBondContact O-NE2 2.76Å; G1311-T1362 CarbonylContact C-O 3.53Å; G1311-T1362 WeakPolarHBondContact CA-O 3.37Å; G1311-T1363 WeakPolarHBondContact CA-O 3.27Å; G1311-L1615 WeakPolarHBondContact O-CB 3.42Å; G1311-L1615 PolarHBondContact O-N 2.92Å | ||
| 1312 | G | 90.8 | Very high | 91.3 | Very high | 11.8 Ų | 11.8 | 29 Ų | 29 | 12% | 0.122 | 16% | 0.156 | C | C | . | . | trans | 85.6 | -3.5 | 178 | 0 | 0 | 0 | 0 | 0 | 116.1 | I1314 T1362 G1614 | G1312-I1314 PolarHBondContact O-N 3.04Å; G1312-T1362 PolarHBondContact N-O 3.13Å; G1312-T1362 PolarHBondContact N-OG1 3.04Å; G1312-T1362 VanDerWaalsContact N-OG1 3.17Å; G1312-G1614 VanDerWaalsContact C-CA 3.47Å | ||
| 1313 | Q | 91.3 | Very high | 90.8 | Very high | 11.2 Ų | 11.2 | 29.6 Ų | 29.6 | 5% | 0.052 | 16% | 0.159 | C | C | . | . | trans | -70.5 | 128 | 176.6 | -162.3 | 59.7 | 42.5 | 0 | 0 | 110.1 | P1304 I1306 G1307 S1308 G1311 V1315 K1361 T1362 F1524 N1611 D1612 L1613 | P1304-Q1313 HydrophobicContact CG-CG 3.97Å; P1304-Q1313 VanDerWaalsContact CG-NE2 3.27Å; I1306-Q1313 WeakPolarHBondContact O-CG 3.46Å; G1307-Q1313 VanDerWaalsContact CA-CD 3.48Å; S1308-Q1313 VanDerWaalsContact N-CD 3.33Å; S1308-Q1313 PolarHBondContact O-NE2 2.76Å; S1308-Q1313 PolarHBondContact O-OE1 3.41Å; G1311-Q1313 VanDerWaalsContact C-N 3.3Å; G1311-Q1313 PolarHBondContact O-N 3.09Å; G1311-Q1313 PolarHBondContact O-NE2 2.76Å; Q1313-V1315 HydrophobicContact CB-CG2 4.31Å; Q1313-V1315 HydrophobicContact CG-CG1 3.99Å; Q1313-V1315 PolarHBondContact O-N 3.01Å; Q1313-K1361 CarbonylContact O-C 3.6Å; Q1313-K1361 WeakPolarHBondContact O-CA 3.41Å; Q1313-T1362 HydrophobicContact CB-CG2 4.32Å; Q1313-T1362 WeakPolarHBondContact CB-OG1 3.39Å; Q1313-T1362 PolarHBondContact N-OG1 3.28Å; Q1313-T1362 VanDerWaalsContact N-OG1 3.09Å; Q1313-T1362 PolarHBondContact O-N 3.08Å; Q1313-T1362 PolarHBondContact O-OG1 3.01Å; Q1313-T1362 PolarHBondContact OE1-OG1 2.91Å; Q1313-F1524 HydrophobicContact CB-CZ 4.27Å; Q1313-F1524 HydrophobicContact CG-CE2 4.32Å; Q1313-F1524 HydrophobicContact CG-CZ 4.27Å; Q1313-N1611 PolarHBondContact NE2-O 2.8Å; Q1313-N1611 PolarHBondContact OE1-O 2.8Å; Q1313-D1612 PolarHBondContact OE1-O 3.43Å; Q1313-D1612 VanDerWaalsContact OE1-O 3.1Å; Q1313-L1613 PolarHBondContact NE2-O 2.95Å; Q1313-L1613 VanDerWaalsContact OE1-CA 3.27Å; Q1313-L1613 PolarHBondContact OE1-O 3.41Å | ||
| 1314 | I | 92.5 | Very high | 90.4 | Very high | 61.6 Ų | 61.6 | 28.6 Ų | 28.6 | 32% | 0.316 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 119.9 | 170.2 | -56.8 | -140.9 | 0 | 0 | 0 | 108.1 | P1304 G1312 L1351 Q1359 C1360 K1361 | P1304-I1314 WeakPolarHBondContact CD-O 3.32Å; G1312-I1314 PolarHBondContact O-N 3.04Å; I1314-L1351 HydrophobicContact CD1-CD1 3.93Å; I1314-L1351 VanDerWaalsContact CD1-CD1 3.5Å; I1314-L1351 HydrophobicContact CG1-CD1 4.26Å; I1314-L1351 HydrophobicContact CG2-CD1 4.35Å; I1314-Q1359 HydrophobicContact CG2-CG 3.57Å; I1314-C1360 WeakPolarHBondContact CA-O 3.24Å; I1314-K1361 HydrophobicContact CD1-CB 3.78Å; I1314-K1361 HydrophobicContact CD1-CD 4.19Å; I1314-K1361 HydrophobicContact CD1-CG 3.86Å |
| 1315 | V | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 135.8 | 178.4 | -75.3 | 0 | 0 | 0 | 0 | 110.2 | I1302 Q1313 I1317 M1330 Q1359 C1360 T1362 F1524 | I1302-V1315 HydrophobicContact CD1-CB 4.19Å; I1302-V1315 HydrophobicContact CD1-CG1 4.23Å; I1302-V1315 VanDerWaalsContact CD1-CG1 3.5Å; I1302-V1315 HydrophobicContact CD1-CG2 4.31Å; I1302-V1315 HydrophobicContact CG1-CB 4.28Å; I1302-V1315 HydrophobicContact CG1-CG1 3.41Å; I1302-V1315 VanDerWaalsContact CG1-CG1 3.41Å; Q1313-V1315 HydrophobicContact CB-CG2 4.31Å; Q1313-V1315 HydrophobicContact CG-CG1 3.99Å; Q1313-V1315 PolarHBondContact O-N 3.01Å; V1315-I1317 HydrophobicContact CG1-CG1 4.2Å; V1315-M1330 HydrophobicContact CG2-CE 4.17Å; V1315-Q1359 WeakPolarHBondContact O-CA 3.43Å; V1315-C1360 WeakPolarHBondContact CG2-O 3.27Å; V1315-C1360 VanDerWaalsContact CG2-SG 3.51Å; V1315-C1360 WeakPolarHBondContact CG2-SG 3.36Å; V1315-C1360 PolarHBondContact N-O 2.98Å; V1315-C1360 PolarHBondContact O-N 3.05Å; V1315-T1362 HydrophobicContact CG1-CG2 4.16Å; V1315-T1362 HydrophobicContact CG2-CG2 4.13Å; V1315-F1524 HydrophobicContact CG1-CD2 4.03Å; V1315-F1524 HydrophobicContact CG1-CE2 3.6Å; V1315-F1524 HydrophobicContact CG1-CZ 4.41Å; V1315-F1524 HydrophobicContact CG2-CD2 4.3Å; V1315-F1524 HydrophobicContact CG2-CE2 3.81Å; V1315-F1524 HydrophobicContact CG2-CZ 4.41Å |
| 1316 | N | 94.6 | Very high | 90.2 | Very high | 76.8 Ų | 76.8 | 28.9 Ų | 28.9 | 41% | 0.411 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 120.3 | 174.6 | -59.2 | -57.2 | 0 | 0 | 0 | 108.7 | I1302 K1303 Q1359 | I1302-N1316 CarbonylContact C-O 3.57Å; I1302-N1316 WeakPolarHBondContact CA-O 3.24Å; K1303-N1316 PolarHBondContact N-O 2.84Å; K1303-N1316 PolarHBondContact O-N 2.94Å; N1316-Q1359 WeakPolarHBondContact OD1-CG 3.43Å; N1316-Q1359 PolarHBondContact OD1-NE2 2.88Å |
| 1317 | I | 95.8 | Very high | 90.5 | Very high | 0.6 Ų | 0.6 | 32.5 Ų | 32.5 | 0% | 0.003 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 128.4 | 179.4 | -59.2 | 161.6 | 0 | 0 | 0 | 107.6 | I1299 G1301 I1302 V1315 F1322 V1328 T1357 I1358 L1477 V1479 | I1299-I1317 HydrophobicContact CG2-CG2 3.95Å; G1301-I1317 WeakPolarHBondContact O-CA 3.25Å; I1302-I1317 HydrophobicContact CB-CG1 4.45Å; I1302-I1317 HydrophobicContact CD1-CG1 4.38Å; I1302-I1317 HydrophobicContact CG1-CG1 4.34Å; V1315-I1317 HydrophobicContact CG1-CG1 4.2Å; I1317-F1322 HydrophobicContact CG2-CE2 4.48Å; I1317-F1322 HydrophobicContact CG2-CZ 4.14Å; I1317-V1328 HydrophobicContact CD1-CB 4.46Å; I1317-V1328 HydrophobicContact CD1-CG1 3.58Å; I1317-V1328 HydrophobicContact CD1-CG2 4.13Å; I1317-T1357 CarbonylContact O-C 3.44Å; I1317-T1357 VanDerWaalsContact O-CA 3.29Å; I1317-T1357 WeakPolarHBondContact O-CA 3.25Å; I1317-I1358 HydrophobicContact CB-CB 4.3Å; I1317-I1358 PolarHBondContact N-O 2.94Å; I1317-I1358 PolarHBondContact O-N 2.86Å; I1317-L1477 HydrophobicContact CD1-CD1 3.79Å; I1317-L1477 HydrophobicContact CD1-CD2 4.27Å; I1317-L1477 HydrophobicContact CG1-CD1 4.45Å; I1317-L1477 HydrophobicContact CG1-CD2 4.14Å; I1317-L1477 HydrophobicContact CG2-CD2 4.18Å; I1317-V1479 HydrophobicContact CG2-CG2 4.37Å |
| 1318 | V | 95.3 | Very high | 90.7 | Very high | 69.2 Ų | 69.2 | 32.5 Ų | 32.5 | 42% | 0.419 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 144 | 177 | -70.2 | 0 | 0 | 0 | 0 | 109.7 | A1300 G1301 T1356 T1357 | A1300-V1318 WeakPolarHBondContact CA-O 3.37Å; A1300-V1318 HydrophobicContact CB-CG2 4.36Å; A1300-V1318 PolarHBondContact N-O 3.12Å; G1301-V1318 PolarHBondContact N-O 2.77Å; G1301-V1318 VanDerWaalsContact N-O 3.09Å; G1301-V1318 PolarHBondContact O-N 2.92Å; V1318-T1356 CarbonylContact C-O 3.4Å; V1318-T1356 WeakPolarHBondContact CA-O 3.32Å; V1318-T1357 HydrophobicContact CG1-CG2 4.22Å |
| 1319 | G | 93.3 | Very high | 90.9 | Very high | 9.4 Ų | 9.4 | 32.9 Ų | 32.9 | 10% | 0.097 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.7 | -158.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112 | E1298 T1356 | E1298-G1319 CarbonylContact O-C 3.57Å; E1298-G1319 WeakPolarHBondContact O-CA 3.28Å; G1319-T1356 PolarHBondContact N-O 3.06Å; G1319-T1356 CarbonylContact O-C 3.53Å; G1319-T1356 WeakPolarHBondContact O-CA 3.43Å; G1319-T1356 WeakPolarHBondContact O-CB 3.31Å; G1319-T1356 VanDerWaalsContact O-O 3.09Å |
| 1320 | E | 89.3 | Confident | 91.1 | Very high | 62.4 Ų | 62.4 | 32.9 Ų | 32.9 | 29% | 0.292 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 143.3 | 177.6 | -84 | -179.2 | -169.7 | 0 | 0 | 111.2 | I1222 K1296 F1297 E1298 T1356 | I1222-E1320 HydrophobicContact CD1-CG 4.5Å; I1222-E1320 WeakPolarHBondContact CD1-OE1 3.39Å; I1222-E1320 VanDerWaalsContact CD1-OE2 3.22Å; I1222-E1320 WeakPolarHBondContact CD1-OE2 3.39Å; I1222-E1320 HydrophobicContact CG2-CG 4.49Å; K1296-E1320 HydrophobicContact CB-CB 4.46Å; K1296-E1320 HydrophobicContact CB-CG 4.33Å; K1296-E1320 HydrophobicContact CD-CB 4.3Å; K1296-E1320 HydrophobicContact CD-CG 4.02Å; K1296-E1320 WeakPolarHBondContact CD-OE2 3.31Å; K1296-E1320 WeakPolarHBondContact CE-OE2 3.19Å; K1296-E1320 IonicContact NZ-OE1 3.43Å; K1296-E1320 PolarHBondContact NZ-OE1 3.45Å; K1296-E1320 VanDerWaalsContact NZ-OE1 3.17Å; K1296-E1320 IonicContact NZ-OE2 3.42Å; K1296-E1320 PolarHBondContact NZ-OE2 3.05Å; F1297-E1320 VanDerWaalsContact CA-O 3.32Å; F1297-E1320 WeakPolarHBondContact CA-O 3.36Å; E1298-E1320 HydrophobicContact CG-CB 3.99Å; E1298-E1320 PolarHBondContact N-O 3.1Å; E1298-E1320 PolarHBondContact O-N 2.7Å; E1320-T1356 HydrophobicContact CG-CG2 4.38Å |
| 1321 | G | 87.3 | Confident | 91.1 | Very high | 7.6 Ų | 7.6 | 36.2 Ų | 36.2 | 8% | 0.078 | 19% | 0.19 | C | C | . | . | trans | 88 | 16.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1224 K1296 F1297 S1355 | S1224-G1321 VanDerWaalsContact CB-O 3.24Å; S1224-G1321 WeakPolarHBondContact CB-O 3.35Å; S1224-G1321 PolarHBondContact OG-O 2.96Å; K1296-G1321 WeakPolarHBondContact O-CA 3.27Å; F1297-G1321 WeakPolarHBondContact CD2-O 3.22Å; G1321-S1355 PolarHBondContact N-O 3Å; G1321-S1355 VanDerWaalsContact N-O 3.13Å | ||
| 1322 | F | 89.2 | Confident | 91.1 | Very high | 7.4 Ų | 7.4 | 36.7 Ų | 36.7 | 3% | 0.032 | 19% | 0.193 | C | C | . | . | trans | -69.2 | 149.8 | 174.1 | -56.2 | -30.5 | 0 | 0 | 0 | 111.3 | F1297 E1298 I1317 V1326 N1354 S1355 T1356 I1358 V1479 | F1297-F1322 HydrophobicContact CD2-CD1 4.38Å; F1297-F1322 HydrophobicContact CE2-CD1 4.04Å; E1298-F1322 WeakPolarHBondContact O-CE1 3.3Å; I1317-F1322 HydrophobicContact CG2-CE2 4.48Å; I1317-F1322 HydrophobicContact CG2-CZ 4.14Å; F1322-V1326 HydrophobicContact CB-CG1 4.29Å; F1322-V1326 HydrophobicContact CB-CG2 4.28Å; F1322-N1354 VanDerWaalsContact CB-O 3.28Å; F1322-N1354 WeakPolarHBondContact CB-O 3.27Å; F1322-S1355 PolarHBondContact N-O 3.11Å; F1322-S1355 VanDerWaalsContact N-O 3.13Å; F1322-S1355 WeakPolarHBondContact O-CA 3.26Å; F1322-T1356 WeakPolarHBondContact CE2-O 3.27Å; F1322-I1358 HydrophobicContact CB-CD1 4.23Å; F1322-I1358 HydrophobicContact CB-CG1 4.3Å; F1322-I1358 HydrophobicContact CD1-CD1 3.88Å; F1322-I1358 HydrophobicContact CD2-CD1 3.69Å; F1322-I1358 HydrophobicContact CD2-CG1 3.61Å; F1322-I1358 HydrophobicContact CE1-CD1 4.11Å; F1322-I1358 HydrophobicContact CE2-CD1 3.92Å; F1322-I1358 HydrophobicContact CE2-CG1 4Å; F1322-I1358 HydrophobicContact CG-CD1 3.66Å; F1322-I1358 HydrophobicContact CG-CG1 3.98Å; F1322-I1358 HydrophobicContact CZ-CD1 4.12Å; F1322-V1479 HydrophobicContact CD1-CG1 4.23Å; F1322-V1479 HydrophobicContact CE1-CG1 4Å | ||
| 1323 | N | 82.6 | Confident | 90.8 | Very high | 19.4 Ų | 19.4 | 36.8 Ų | 36.8 | 10% | 0.104 | 19% | 0.191 | C | C | . | . | trans | -149.8 | -175.1 | -178.7 | 76.7 | -10 | 0 | 0 | 0 | 112.4 | S1224 S1226 N1325 V1326 K1353 | S1224-N1323 PolarHBondContact OG-ND2 3Å; S1224-N1323 VanDerWaalsContact OG-ND2 3.14Å; S1226-N1323 WeakPolarHBondContact CB-ND2 3.24Å; S1226-N1323 PolarHBondContact OG-ND2 2.94Å; N1323-N1325 PolarHBondContact O-N 3.08Å; N1323-N1325 VanDerWaalsContact O-N 3.15Å; N1323-N1325 PolarHBondContact OD1-N 2.99Å; N1323-N1325 VanDerWaalsContact OD1-N 3.15Å; N1323-V1326 WeakPolarHBondContact O-CB 3.4Å; N1323-V1326 WeakPolarHBondContact O-CG1 3.39Å; N1323-V1326 VanDerWaalsContact O-CG2 3.23Å; N1323-V1326 WeakPolarHBondContact O-CG2 3.42Å; N1323-V1326 PolarHBondContact O-N 3.04Å; N1323-V1326 WeakPolarHBondContact OD1-CG2 3.47Å; N1323-V1326 PolarHBondContact OD1-N 3.22Å; N1323-K1353 WeakPolarHBondContact O-CD 3.43Å; N1323-K1353 PolarHBondContact O-NZ 3.04Å; N1323-K1353 VanDerWaalsContact O-NZ 3.16Å | ||
| 1324 | D | 81.4 | Confident | 89.9 | Confident | 137.2 Ų | 137.2 | 41.7 Ų | 41.7 | 73% | 0.734 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.1 | -177.6 | -62.8 | -31.1 | 0 | 0 | 0 | 114.7 | V1326 K1353 | D1324-V1326 VanDerWaalsContact C-N 3.33Å; D1324-V1326 PolarHBondContact O-N 2.91Å; D1324-K1353 PolarHBondContact O-NZ 3.1Å |
| 1325 | N | 83.9 | Confident | 88.7 | Confident | 77.8 Ų | 77.8 | 40.5 Ų | 40.5 | 42% | 0.416 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 0.9 | -179.8 | -65.1 | -28.2 | 0 | 0 | 0 | 114 | N1323 K1327 | N1323-N1325 PolarHBondContact O-N 3.08Å; N1323-N1325 VanDerWaalsContact O-N 3.15Å; N1323-N1325 PolarHBondContact OD1-N 2.99Å; N1323-N1325 VanDerWaalsContact OD1-N 3.15Å; N1325-K1327 PolarHBondContact O-N 2.77Å |
| 1326 | V | 91 | Very high | 87.2 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.024 | 26% | 0.261 | C | S | . | . | trans | -66.2 | 136.7 | 178.4 | 130.2 | 0 | 0 | 0 | 0 | 111.5 | F1297 F1322 N1323 D1324 V1328 I1350 K1353 I1358 V1479 E1480 T1481 | F1297-V1326 HydrophobicContact CE2-CG1 3.74Å; F1297-V1326 HydrophobicContact CE2-CG2 3.97Å; F1297-V1326 HydrophobicContact CZ-CG1 4.09Å; F1297-V1326 HydrophobicContact CZ-CG2 4.15Å; F1322-V1326 HydrophobicContact CB-CG1 4.29Å; F1322-V1326 HydrophobicContact CB-CG2 4.28Å; N1323-V1326 WeakPolarHBondContact O-CB 3.4Å; N1323-V1326 WeakPolarHBondContact O-CG1 3.39Å; N1323-V1326 VanDerWaalsContact O-CG2 3.23Å; N1323-V1326 WeakPolarHBondContact O-CG2 3.42Å; N1323-V1326 PolarHBondContact O-N 3.04Å; N1323-V1326 WeakPolarHBondContact OD1-CG2 3.47Å; N1323-V1326 PolarHBondContact OD1-N 3.22Å; D1324-V1326 VanDerWaalsContact C-N 3.33Å; D1324-V1326 PolarHBondContact O-N 2.91Å; V1326-V1328 HydrophobicContact CG1-CG2 4.32Å; V1326-I1350 HydrophobicContact CG1-CD1 4.15Å; V1326-I1350 HydrophobicContact CG2-CD1 3.92Å; V1326-I1350 WeakPolarHBondContact O-CD1 3.43Å; V1326-K1353 HydrophobicContact CG1-CD 3.57Å; V1326-K1353 HydrophobicContact CG2-CD 3.69Å; V1326-K1353 PolarHBondContact O-NZ 3.18Å; V1326-K1353 VanDerWaalsContact O-NZ 3.07Å; V1326-I1358 HydrophobicContact CB-CD1 4.43Å; V1326-I1358 HydrophobicContact CG1-CD1 3.65Å; V1326-I1358 HydrophobicContact CG1-CG1 4.25Å; V1326-I1358 HydrophobicContact CG2-CD1 3.87Å; V1326-I1358 HydrophobicContact CG2-CG1 4.38Å; V1326-V1479 HydrophobicContact CB-CG1 4.25Å; V1326-V1479 HydrophobicContact CG1-CG1 3.85Å; V1326-V1479 HydrophobicContact CG2-CG1 3.28Å; V1326-E1480 CarbonylContact C-O 3.52Å; V1326-E1480 WeakPolarHBondContact CA-O 3.33Å; V1326-T1481 HydrophobicContact CB-CG2 4.36Å; V1326-T1481 HydrophobicContact CG1-CG2 3.91Å; V1326-T1481 HydrophobicContact CG2-CG2 4.11Å | ||
| 1327 | K | 94.2 | Very high | 85.7 | Confident | 89.2 Ų | 89.2 | 50.8 Ų | 50.8 | 39% | 0.388 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 150.5 | 167.1 | -65.4 | -174.4 | 175.9 | -157.1 | 0 | 109.6 | N1325 F1329 E1347 V1479 E1480 | N1325-K1327 PolarHBondContact O-N 2.77Å; K1327-F1329 HydrophobicContact CB-CD2 4.43Å; K1327-F1329 HydrophobicContact CB-CE2 3.57Å; K1327-F1329 HydrophobicContact CB-CZ 3.97Å; K1327-F1329 HydrophobicContact CD-CE2 4.27Å; K1327-F1329 HydrophobicContact CD-CZ 4Å; K1327-E1347 IonicContact NZ-OE1 2.78Å; K1327-E1347 PolarHBondContact NZ-OE1 2.84Å; K1327-E1347 IonicContact NZ-OE2 2.79Å; K1327-E1347 PolarHBondContact NZ-OE2 3.39Å; K1327-V1479 WeakPolarHBondContact O-CA 3.38Å; K1327-E1480 PolarHBondContact N-O 2.9Å; K1327-E1480 PolarHBondContact O-N 3.18Å |
| 1328 | V | 96.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134 | -179 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | I1317 V1326 E1347 C1348 I1350 I1358 L1477 I1478 V1479 | I1317-V1328 HydrophobicContact CD1-CB 4.46Å; I1317-V1328 HydrophobicContact CD1-CG1 3.58Å; I1317-V1328 HydrophobicContact CD1-CG2 4.13Å; V1326-V1328 HydrophobicContact CG1-CG2 4.32Å; V1328-E1347 CarbonylContact O-C 3.57Å; V1328-E1347 WeakPolarHBondContact O-CA 3.37Å; V1328-E1347 WeakPolarHBondContact O-CG 3.49Å; V1328-C1348 HydrophobicContact CB-CB 3.91Å; V1328-C1348 HydrophobicContact CG1-CB 3.7Å; V1328-C1348 PolarHBondContact O-N 3.12Å; V1328-I1350 HydrophobicContact CG2-CD1 4.24Å; V1328-I1350 HydrophobicContact CG2-CG1 4.35Å; V1328-I1358 HydrophobicContact CG2-CD1 4.12Å; V1328-I1358 HydrophobicContact CG2-CG2 4.03Å; V1328-L1477 HydrophobicContact CG1-CD1 3.66Å; V1328-I1478 CarbonylContact C-O 3.53Å; V1328-I1478 WeakPolarHBondContact CA-O 3.31Å; V1328-V1479 HydrophobicContact CG1-CG2 4.46Å; V1328-V1479 HydrophobicContact CG2-CG1 4.47Å; V1328-V1479 HydrophobicContact CG2-CG2 4.23Å |
| 1329 | F | 95.3 | Very high | 83.3 | Confident | 12.2 Ų | 12.2 | 54.7 Ų | 54.7 | 5% | 0.054 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 146.7 | 178.2 | -58.5 | -85.6 | 0 | 0 | 0 | 111.5 | K1327 R1345 G1346 E1347 I1478 E1480 | K1327-F1329 HydrophobicContact CB-CD2 4.43Å; K1327-F1329 HydrophobicContact CB-CE2 3.57Å; K1327-F1329 HydrophobicContact CB-CZ 3.97Å; K1327-F1329 HydrophobicContact CD-CE2 4.27Å; K1327-F1329 HydrophobicContact CD-CZ 4Å; F1329-R1345 HydrophobicContact CB-CB 4.29Å; F1329-R1345 HydrophobicContact CB-CG 4.33Å; F1329-R1345 HydrophobicContact CD1-CG 3.92Å; F1329-R1345 HydrophobicContact CE1-CG 4.45Å; F1329-R1345 HydrophobicContact CG-CG 4.29Å; F1329-G1346 CarbonylContact C-O 3.52Å; F1329-G1346 VanDerWaalsContact CA-O 3.23Å; F1329-G1346 WeakPolarHBondContact CA-O 3.43Å; F1329-E1347 HydrophobicContact CD1-CB 3.84Å; F1329-E1347 HydrophobicContact CD1-CG 4.13Å; F1329-E1347 HydrophobicContact CE1-CB 3.68Å; F1329-E1347 HydrophobicContact CE1-CG 3.71Å; F1329-E1347 WeakPolarHBondContact CE1-OE2 3.4Å; F1329-E1347 HydrophobicContact CZ-CB 4.5Å; F1329-E1347 HydrophobicContact CZ-CG 4.28Å; F1329-I1478 HydrophobicContact CB-CB 4.36Å; F1329-I1478 PolarHBondContact N-O 2.93Å; F1329-I1478 PolarHBondContact O-N 3.1Å; F1329-E1480 HydrophobicContact CD2-CG 3.99Å; F1329-E1480 HydrophobicContact CE2-CG 3.73Å; F1329-E1480 VanDerWaalsContact CE2-OE1 3.27Å; F1329-E1480 WeakPolarHBondContact CE2-OE1 3.44Å |
| 1330 | M | 93.7 | Very high | 82.6 | Confident | 0.2 Ų | 0.2 | 54.3 Ų | 54.3 | 0% | 0.001 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 111.3 | 166.3 | -58.7 | -57.2 | -176.1 | 0 | 0 | 108 | I1302 V1315 R1345 G1346 T1362 M1365 T1475 L1477 F1524 Y1526 | I1302-M1330 HydrophobicContact CD1-CE 3.8Å; V1315-M1330 HydrophobicContact CG2-CE 4.17Å; M1330-R1345 CarbonylContact O-C 3.54Å; M1330-R1345 VanDerWaalsContact O-CA 3.29Å; M1330-R1345 WeakPolarHBondContact O-CA 3.29Å; M1330-G1346 PolarHBondContact N-O 2.95Å; M1330-G1346 PolarHBondContact O-N 3.2Å; M1330-T1362 HydrophobicContact CE-CG2 4.18Å; M1330-M1365 HydrophobicContact CB-CE 3.96Å; M1330-T1475 HydrophobicContact CB-CG2 4.34Å; M1330-L1477 HydrophobicContact CE-CD1 3.89Å; M1330-L1477 HydrophobicContact SD-CB 4.38Å; M1330-L1477 HydrophobicContact SD-CD1 3.81Å; M1330-F1524 HydrophobicContact CE-CB 3.94Å; M1330-F1524 HydrophobicContact CE-CD1 4.36Å; M1330-F1524 HydrophobicContact CE-CD2 4.34Å; M1330-F1524 HydrophobicContact CE-CG 4.03Å; M1330-F1524 HydrophobicContact SD-CB 3.69Å; M1330-F1524 HydrophobicContact SD-CD1 4.47Å; M1330-F1524 HydrophobicContact SD-CG 4.26Å; M1330-Y1526 HydrophobicContact CB-CE2 3.86Å; M1330-Y1526 HydrophobicContact CG-CE2 4.19Å; M1330-Y1526 WeakPolarHBondContact CG-OH 3.45Å |
| 1331 | K | 91.4 | Very high | 81.8 | Confident | 99.2 Ų | 99.2 | 53.6 Ų | 53.6 | 43% | 0.431 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 121.5 | -176.6 | -177 | -172.6 | 173.3 | -171.2 | 0 | 111 | I1333 R1345 T1475 E1476 I1478 | K1331-I1333 PolarHBondContact O-N 3.15Å; K1331-R1345 HydrophobicContact CB-CB 4.05Å; K1331-R1345 HydrophobicContact CG-CB 4.26Å; K1331-T1475 CarbonylContact O-C 3.5Å; K1331-T1475 WeakPolarHBondContact O-CA 3.2Å; K1331-T1475 WeakPolarHBondContact O-CB 3.3Å; K1331-E1476 PolarHBondContact N-O 2.92Å; K1331-E1476 PolarHBondContact O-N 2.93Å; K1331-I1478 HydrophobicContact CB-CD1 3.68Å; K1331-I1478 HydrophobicContact CB-CG1 4.37Å; K1331-I1478 HydrophobicContact CD-CD1 3.63Å; K1331-I1478 HydrophobicContact CG-CD1 4.27Å |
| 1332 | P | 89.8 | Confident | 81.3 | Confident | 13.8 Ų | 13.8 | 57.9 Ų | 57.9 | 9% | 0.09 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 134.9 | 171.8 | -27.2 | 36.2 | 0 | 0 | 0 | 112.4 | C1340 R1343 M1365 T1475 | P1332-C1340 WeakPolarHBondContact CB-O 3.34Å; P1332-C1340 WeakPolarHBondContact CG-O 3.37Å; P1332-R1343 HydrophobicContact CG-CB 4.22Å; P1332-M1365 HydrophobicContact CG-CE 3.76Å; P1332-M1365 VanDerWaalsContact CG-CE 3.5Å; P1332-T1475 HydrophobicContact CG-CG2 4.45Å |
| 1333 | I | 85.7 | Confident | 81 | Confident | 12.6 Ų | 12.6 | 58.6 Ų | 58.6 | 7% | 0.065 | 30% | 0.295 | C | S | . | . | trans | -97 | 149.2 | 172.2 | 54.1 | 159.1 | 0 | 0 | 0 | 110 | K1331 V1335 N1341 M1474 E1476 P1515 L1518 | K1331-I1333 PolarHBondContact O-N 3.15Å; I1333-V1335 HydrophobicContact CD1-CG1 3.89Å; I1333-V1335 HydrophobicContact CD1-CG2 3.81Å; I1333-V1335 HydrophobicContact CG1-CG1 4.09Å; I1333-V1335 HydrophobicContact CG1-CG2 4.2Å; I1333-V1335 WeakPolarHBondContact O-CG2 3.36Å; I1333-V1335 PolarHBondContact O-N 2.95Å; I1333-V1335 VanDerWaalsContact O-N 3.08Å; I1333-N1341 PolarHBondContact O-OD1 2.99Å; I1333-N1341 VanDerWaalsContact O-OD1 3.08Å; I1333-M1474 HydrophobicContact CD1-CB 3.87Å; I1333-M1474 HydrophobicContact CG1-CB 3.91Å; I1333-M1474 VanDerWaalsContact CG1-O 3.26Å; I1333-M1474 WeakPolarHBondContact CG1-O 3.24Å; I1333-M1474 PolarHBondContact N-O 2.96Å; I1333-M1474 VanDerWaalsContact N-O 3.13Å; I1333-E1476 HydrophobicContact CG2-CB 4.11Å; I1333-P1515 HydrophobicContact CD1-CB 4.24Å; I1333-P1515 HydrophobicContact CD1-CG 3.28Å; I1333-P1515 VanDerWaalsContact CD1-CG 3.45Å; I1333-L1518 HydrophobicContact CD1-CD1 3.62Å; I1333-L1518 VanDerWaalsContact CD1-CD1 3.47Å; I1333-L1518 HydrophobicContact CD1-CG 3.87Å; I1333-L1518 HydrophobicContact CG1-CD1 4.37Å; I1333-L1518 HydrophobicContact CG2-CD2 4.41Å | ||
| 1334 | T | 72.8 | Confident | 81.1 | Confident | 115.6 Ų | 115.6 | 62.6 Ų | 62.6 | 71% | 0.709 | 32% | 0.324 | S | S | * | . | trans | -75.3 | 90.3 | -175.4 | -49.4 | 0 | 0 | 0 | 0 | 111.4 | N1341 | T1334-N1341 WeakPolarHBondContact CA-OD1 3.28Š| ||
| 1335 | V | 65.9 | Low | 81.4 | Confident | 35.4 Ų | 35.4 | 61.2 Ų | 61.2 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | trans | -105.8 | 164 | 174.9 | -110.5 | 0 | 0 | 0 | 0 | 110.8 | I1333 N1337 Q1338 N1341 M1474 P1515 | I1333-V1335 HydrophobicContact CD1-CG1 3.89Å; I1333-V1335 HydrophobicContact CD1-CG2 3.81Å; I1333-V1335 HydrophobicContact CG1-CG1 4.09Å; I1333-V1335 HydrophobicContact CG1-CG2 4.2Å; I1333-V1335 WeakPolarHBondContact O-CG2 3.36Å; I1333-V1335 PolarHBondContact O-N 2.95Å; I1333-V1335 VanDerWaalsContact O-N 3.08Å; V1335-N1337 HydrophobicContact CG2-CB 4.11Å; V1335-N1337 PolarHBondContact O-N 3.17Å; V1335-N1337 VanDerWaalsContact O-N 3.16Å; V1335-Q1338 HydrophobicContact CB-CB 4.49Å; V1335-Q1338 HydrophobicContact CB-CG 4.24Å; V1335-Q1338 PolarHBondContact O-N 3.05Å; V1335-N1341 WeakPolarHBondContact CG2-OD1 3.39Å; V1335-N1341 PolarHBondContact N-ND2 2.81Å; V1335-N1341 PolarHBondContact N-OD1 3.08Å; V1335-N1341 PolarHBondContact O-ND2 3.18Å; V1335-M1474 HydrophobicContact CB-CE 4.15Å; V1335-M1474 HydrophobicContact CG1-CE 3.99Å; V1335-M1474 HydrophobicContact CG1-SD 4.34Å; V1335-M1474 HydrophobicContact CG2-CE 3.86Å; V1335-M1474 HydrophobicContact CG2-SD 4.37Å; V1335-P1515 HydrophobicContact CG1-CB 4.09Å; V1335-P1515 HydrophobicContact CG1-CG 4.04Å | ||
| 1336 | K | 63.3 | Low | 81.5 | Confident | 211.4 Ų | 211.4 | 57.9 Ų | 57.9 | 92% | 0.919 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -57.3 | 13.1 | 177.6 | -73.6 | -176.9 | 178 | 178.2 | 0 | 112.6 | Q1338 | K1336-Q1338 VanDerWaalsContact C-N 3.31Å; K1336-Q1338 PolarHBondContact O-N 3.23Å; K1336-Q1338 VanDerWaalsContact O-N 3.07Å |
| 1337 | N | 63.4 | Low | 81.6 | Confident | 82.6 Ų | 82.6 | 62 Ų | 62 | 44% | 0.442 | 31% | 0.312 | S | S | . | . | trans | -47.1 | 58.3 | 177.8 | -135 | -7.5 | 0 | 0 | 0 | 113.8 | V1335 L1339 C1340 N1341 D1471 D1472 | V1335-N1337 HydrophobicContact CG2-CB 4.11Å; V1335-N1337 PolarHBondContact O-N 3.17Å; V1335-N1337 VanDerWaalsContact O-N 3.16Å; N1337-L1339 VanDerWaalsContact C-N 3.26Å; N1337-L1339 PolarHBondContact O-N 3Å; N1337-L1339 PolarHBondContact OD1-N 3.01Å; N1337-C1340 HydrophobicContact CB-CB 4.26Å; N1337-C1340 WeakPolarHBondContact O-CB 3.23Å; N1337-C1340 PolarHBondContact O-N 3.13Å; N1337-C1340 VanDerWaalsContact O-N 3.15Å; N1337-C1340 PolarHBondContact OD1-N 3.12Å; N1337-N1341 VanDerWaalsContact O-CG 3.31Å; N1337-N1341 PolarHBondContact O-N 2.99Å; N1337-N1341 PolarHBondContact O-OD1 2.98Å; N1337-N1341 VanDerWaalsContact O-OD1 3.14Å; N1337-D1471 PolarHBondContact ND2-O 3.1Å; N1337-D1471 VanDerWaalsContact ND2-O 3.08Å; N1337-D1471 PolarHBondContact ND2-OD2 2.92Å; N1337-D1472 PolarHBondContact ND2-O 3.12Å; N1337-D1472 VanDerWaalsContact ND2-O 3.13Å | ||
| 1338 | Q | 67.4 | Low | 81.7 | Confident | 92.6 Ų | 92.6 | 57.8 Ų | 57.8 | 43% | 0.433 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -71.7 | -0.2 | 177.8 | -138.1 | 174.2 | -9.4 | 0 | 0 | 112.7 | V1335 K1336 C1340 N1341 D1342 D1472 M1474 | V1335-Q1338 HydrophobicContact CB-CB 4.49Å; V1335-Q1338 HydrophobicContact CB-CG 4.24Å; V1335-Q1338 PolarHBondContact O-N 3.05Å; K1336-Q1338 VanDerWaalsContact C-N 3.31Å; K1336-Q1338 PolarHBondContact O-N 3.23Å; K1336-Q1338 VanDerWaalsContact O-N 3.07Å; Q1338-C1340 VanDerWaalsContact C-N 3.33Å; Q1338-C1340 HydrophobicContact CB-CB 4.4Å; Q1338-C1340 PolarHBondContact O-N 2.86Å; Q1338-N1341 WeakPolarHBondContact O-CB 3.46Å; Q1338-N1341 PolarHBondContact O-N 2.82Å; Q1338-N1341 PolarHBondContact O-ND2 3.06Å; Q1338-D1342 PolarHBondContact O-N 2.84Å; Q1338-D1342 VanDerWaalsContact O-N 3.12Å; Q1338-D1472 WeakPolarHBondContact CG-O 3.47Å; Q1338-D1472 VanDerWaalsContact NE2-C 3.28Å; Q1338-D1472 PolarHBondContact NE2-O 2.97Å; Q1338-M1474 VanDerWaalsContact NE2-CE 3.3Å |
| 1339 | L | 71.7 | Confident | 81.6 | Confident | 59.4 Ų | 59.4 | 63.2 Ų | 63.2 | 31% | 0.311 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.6 | -23.4 | 176.6 | -73 | 162 | 0 | 0 | 0 | 112.7 | N1337 D1342 R1343 T1392 I1394 K1468 D1471 | N1337-L1339 VanDerWaalsContact C-N 3.26Å; N1337-L1339 PolarHBondContact O-N 3Å; N1337-L1339 PolarHBondContact OD1-N 3.01Å; L1339-D1342 VanDerWaalsContact O-OD1 3.08Å; L1339-R1343 PolarHBondContact O-NH1 2.92Å; L1339-T1392 HydrophobicContact CD1-CG2 4.2Å; L1339-T1392 HydrophobicContact CD2-CG2 4.26Å; L1339-T1392 WeakPolarHBondContact CD2-O 3.48Å; L1339-I1394 HydrophobicContact CB-CD1 3.57Å; L1339-I1394 HydrophobicContact CB-CG1 3.81Å; L1339-I1394 HydrophobicContact CB-CG2 4.18Å; L1339-I1394 HydrophobicContact CD1-CG1 4.06Å; L1339-I1394 HydrophobicContact CD1-CG2 4.1Å; L1339-I1394 HydrophobicContact CD2-CG2 4.11Å; L1339-I1394 HydrophobicContact CG-CG1 4.31Å; L1339-I1394 HydrophobicContact CG-CG2 4.18Å; L1339-K1468 HydrophobicContact CD1-CB 4.02Å; L1339-K1468 HydrophobicContact CD1-CG 3.86Å; L1339-D1471 PolarHBondContact N-OD2 3.36Å |
| 1340 | C | 79.2 | Confident | 81.6 | Confident | 1.2 Ų | 1.2 | 65.1 Ų | 65.1 | 1% | 0.008 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -75.3 | -30.2 | 174.6 | 160.2 | 0 | 0 | 0 | 0 | 112.6 | P1332 N1337 Q1338 D1342 R1343 M1365 C1473 | P1332-C1340 WeakPolarHBondContact CB-O 3.34Å; P1332-C1340 WeakPolarHBondContact CG-O 3.37Å; N1337-C1340 HydrophobicContact CB-CB 4.26Å; N1337-C1340 WeakPolarHBondContact O-CB 3.23Å; N1337-C1340 PolarHBondContact O-N 3.13Å; N1337-C1340 VanDerWaalsContact O-N 3.15Å; N1337-C1340 PolarHBondContact OD1-N 3.12Å; Q1338-C1340 VanDerWaalsContact C-N 3.33Å; Q1338-C1340 HydrophobicContact CB-CB 4.4Å; Q1338-C1340 PolarHBondContact O-N 2.86Å; C1340-D1342 VanDerWaalsContact C-N 3.29Å; C1340-D1342 PolarHBondContact O-N 2.86Å; C1340-D1342 VanDerWaalsContact O-N 3.14Å; C1340-R1343 VanDerWaalsContact O-CB 3.3Å; C1340-R1343 WeakPolarHBondContact O-CB 3.34Å; C1340-R1343 WeakPolarHBondContact O-CG 3.27Å; C1340-R1343 PolarHBondContact O-N 2.9Å; C1340-R1343 VanDerWaalsContact O-N 3.14Å; C1340-M1365 WeakPolarHBondContact SG-CE 3.3Å; C1340-C1473 HydrophobicContact CB-CB 3.62Å; C1340-C1473 VanDerWaalsContact CB-CB 3.44Å; C1340-C1473 WeakPolarHBondContact CB-SG 3.31Å; C1340-C1473 WeakPolarHBondContact SG-CA 3.28Å; C1340-C1473 WeakPolarHBondContact SG-CB 3.22Å; C1340-C1473 CovalentContact SG-SG 2.03Å; C1340-C1473 PolarHBondContact SG-SG 3.01Å |
| 1341 | N | 73.5 | Confident | 81.6 | Confident | 47.6 Ų | 47.6 | 69 Ų | 69 | 26% | 0.255 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63 | -28 | -176.8 | -63.1 | -16.8 | 0 | 0 | 0 | 113.5 | I1333 T1334 V1335 N1337 Q1338 R1343 | I1333-N1341 PolarHBondContact O-OD1 2.99Å; I1333-N1341 VanDerWaalsContact O-OD1 3.08Å; T1334-N1341 WeakPolarHBondContact CA-OD1 3.28Å; V1335-N1341 WeakPolarHBondContact CG2-OD1 3.39Å; V1335-N1341 PolarHBondContact N-ND2 2.81Å; V1335-N1341 PolarHBondContact N-OD1 3.08Å; V1335-N1341 PolarHBondContact O-ND2 3.18Å; N1337-N1341 VanDerWaalsContact O-CG 3.31Å; N1337-N1341 PolarHBondContact O-N 2.99Å; N1337-N1341 PolarHBondContact O-OD1 2.98Å; N1337-N1341 VanDerWaalsContact O-OD1 3.14Å; Q1338-N1341 WeakPolarHBondContact O-CB 3.46Å; Q1338-N1341 PolarHBondContact O-N 2.82Å; Q1338-N1341 PolarHBondContact O-ND2 3.06Å; N1341-R1343 VanDerWaalsContact C-N 3.3Å; N1341-R1343 PolarHBondContact O-N 3.06Å; N1341-R1343 VanDerWaalsContact O-N 3.15Å |
| 1342 | D | 76.9 | Confident | 81.7 | Confident | 97 Ų | 97 | 67.2 Ų | 67.2 | 52% | 0.519 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 3.7 | -179.9 | -30.7 | -26.3 | 0 | 0 | 0 | 113.4 | Q1338 L1339 C1340 K1367 | Q1338-D1342 PolarHBondContact O-N 2.84Å; Q1338-D1342 VanDerWaalsContact O-N 3.12Å; L1339-D1342 VanDerWaalsContact O-OD1 3.08Å; C1340-D1342 VanDerWaalsContact C-N 3.29Å; C1340-D1342 PolarHBondContact O-N 2.86Å; C1340-D1342 VanDerWaalsContact O-N 3.14Å; D1342-K1367 PolarHBondContact O-NZ 2.93Å; D1342-K1367 IonicContact OD2-NZ 3.44Å; D1342-K1367 PolarHBondContact OD2-NZ 3.09Å |
| 1343 | R | 82.9 | Confident | 81.9 | Confident | 23.2 Ų | 23.2 | 69.7 Ų | 69.7 | 9% | 0.088 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -91.2 | 142.1 | 179.9 | -62.5 | -175.7 | 171.5 | -116.7 | -2.9 | 111.3 | P1332 L1339 C1340 N1341 M1365 K1367 I1394 D1397 | P1332-R1343 HydrophobicContact CG-CB 4.22Å; L1339-R1343 PolarHBondContact O-NH1 2.92Å; C1340-R1343 VanDerWaalsContact O-CB 3.3Å; C1340-R1343 WeakPolarHBondContact O-CB 3.34Å; C1340-R1343 WeakPolarHBondContact O-CG 3.27Å; C1340-R1343 PolarHBondContact O-N 2.9Å; C1340-R1343 VanDerWaalsContact O-N 3.14Å; N1341-R1343 VanDerWaalsContact C-N 3.3Å; N1341-R1343 PolarHBondContact O-N 3.06Å; N1341-R1343 VanDerWaalsContact O-N 3.15Å; R1343-M1365 HydrophobicContact CB-CE 4.03Å; R1343-M1365 VanDerWaalsContact CD-O 3.29Å; R1343-M1365 WeakPolarHBondContact CD-O 3.35Å; R1343-M1365 HydrophobicContact CG-CE 4.48Å; R1343-M1365 PolarHBondContact NE-O 3.15Å; R1343-M1365 PolarHBondContact NH1-O 3.12Å; R1343-K1367 HydrophobicContact CG-CD 4.49Å; R1343-I1394 VanDerWaalsContact NE-CD1 3.33Å; R1343-I1394 VanDerWaalsContact NH2-CG2 3.35Å; R1343-D1397 IonicContact CZ-OD1 3.12Å; R1343-D1397 IonicContact CZ-OD2 3.07Å; R1343-D1397 IonicContact NH1-OD1 3.05Å; R1343-D1397 PolarHBondContact NH1-OD1 2.91Å; R1343-D1397 IonicContact NH1-OD2 3.43Å; R1343-D1397 VanDerWaalsContact NH2-CG 3.31Å; R1343-D1397 IonicContact NH2-OD1 3.45Å; R1343-D1397 PolarHBondContact NH2-OD1 3.04Å; R1343-D1397 VanDerWaalsContact NH2-OD1 3.08Å; R1343-D1397 IonicContact NH2-OD2 3.4Å; R1343-D1397 PolarHBondContact NH2-OD2 3.03Å |
| 1344 | S | 83.4 | Confident | 82.1 | Confident | 101.8 Ų | 101.8 | 73 Ų | 73 | 71% | 0.712 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 158.4 | 171.9 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | G1346 | S1344-G1346 PolarHBondContact O-N 2.87Š|
| 1345 | R | 87.3 | Confident | 82.7 | Confident | 107.6 Ų | 107.6 | 69.9 Ų | 69.9 | 41% | 0.406 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 129.1 | 170 | 68 | -175.9 | -173.6 | 166.8 | 8 | 110.1 | F1329 M1330 K1331 E1480 | F1329-R1345 HydrophobicContact CB-CB 4.29Å; F1329-R1345 HydrophobicContact CB-CG 4.33Å; F1329-R1345 HydrophobicContact CD1-CG 3.92Å; F1329-R1345 HydrophobicContact CE1-CG 4.45Å; F1329-R1345 HydrophobicContact CG-CG 4.29Å; M1330-R1345 CarbonylContact O-C 3.54Å; M1330-R1345 VanDerWaalsContact O-CA 3.29Å; M1330-R1345 WeakPolarHBondContact O-CA 3.29Å; K1331-R1345 HydrophobicContact CB-CB 4.05Å; K1331-R1345 HydrophobicContact CG-CB 4.26Å; R1345-E1480 IonicContact CZ-OE1 3.41Å; R1345-E1480 VanDerWaalsContact CZ-OE1 3.25Å; R1345-E1480 IonicContact CZ-OE2 3.37Å; R1345-E1480 VanDerWaalsContact NH1-CD 3.26Å; R1345-E1480 IonicContact NH1-OE1 2.85Å; R1345-E1480 PolarHBondContact NH1-OE1 3.11Å; R1345-E1480 IonicContact NH1-OE2 3.28Å; R1345-E1480 PolarHBondContact NH1-OE2 2.89Å; R1345-E1480 IonicContact NH2-OE1 2.82Å; R1345-E1480 PolarHBondContact NH2-OE1 3.08Å; R1345-E1480 IonicContact NH2-OE2 2.98Å |
| 1346 | G | 87.4 | Confident | 83.9 | Confident | 9.2 Ų | 9.2 | 71.2 Ų | 71.2 | 10% | 0.095 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 130 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | F1329 M1330 S1344 T1363 | F1329-G1346 CarbonylContact C-O 3.52Å; F1329-G1346 VanDerWaalsContact CA-O 3.23Å; F1329-G1346 WeakPolarHBondContact CA-O 3.43Å; M1330-G1346 PolarHBondContact N-O 2.95Å; M1330-G1346 PolarHBondContact O-N 3.2Å; S1344-G1346 PolarHBondContact O-N 2.87Å; G1346-T1363 WeakPolarHBondContact CA-OG1 3.44Å |
| 1347 | E | 92.9 | Very high | 85.3 | Confident | 90.2 Ų | 90.2 | 63.7 Ų | 63.7 | 42% | 0.421 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 135.8 | 174.3 | -169.2 | 163.2 | -177.9 | 0 | 0 | 109.9 | K1327 V1328 F1329 T1363 | K1327-E1347 IonicContact NZ-OE1 2.78Å; K1327-E1347 PolarHBondContact NZ-OE1 2.84Å; K1327-E1347 IonicContact NZ-OE2 2.79Å; K1327-E1347 PolarHBondContact NZ-OE2 3.39Å; V1328-E1347 CarbonylContact O-C 3.57Å; V1328-E1347 WeakPolarHBondContact O-CA 3.37Å; V1328-E1347 WeakPolarHBondContact O-CG 3.49Å; F1329-E1347 HydrophobicContact CD1-CB 3.84Å; F1329-E1347 HydrophobicContact CD1-CG 4.13Å; F1329-E1347 HydrophobicContact CE1-CB 3.68Å; F1329-E1347 HydrophobicContact CE1-CG 3.71Å; F1329-E1347 WeakPolarHBondContact CE1-OE2 3.4Å; F1329-E1347 HydrophobicContact CZ-CB 4.5Å; F1329-E1347 HydrophobicContact CZ-CG 4.28Å; E1347-T1363 PolarHBondContact N-OG1 2.98Å; E1347-T1363 VanDerWaalsContact O-CB 3.27Å; E1347-T1363 WeakPolarHBondContact O-CB 3.31Å; E1347-T1363 WeakPolarHBondContact O-CG2 3.31Å; E1347-T1363 PolarHBondContact O-N 3.06Å; E1347-T1363 PolarHBondContact O-OG1 2.8Å |
| 1348 | C | 94.8 | Very high | 86.9 | Confident | 1.6 Ų | 1.6 | 59.9 Ų | 59.9 | 1% | 0.011 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 115.4 | 174.1 | -166.2 | 0 | 0 | 0 | 0 | 108.2 | V1328 I1350 C1360 K1361 | V1328-C1348 HydrophobicContact CB-CB 3.91Å; V1328-C1348 HydrophobicContact CG1-CB 3.7Å; V1328-C1348 PolarHBondContact O-N 3.12Å; C1348-I1350 PolarHBondContact O-N 2.94Å; C1348-I1350 VanDerWaalsContact O-N 3.15Å; C1348-C1360 HydrophobicContact CB-CB 3.83Å; C1348-C1360 WeakPolarHBondContact CB-SG 3.29Å; C1348-C1360 WeakPolarHBondContact SG-CB 3.34Å; C1348-C1360 CovalentContact SG-SG 2.04Å; C1348-C1360 PolarHBondContact SG-SG 3.12Å; C1348-K1361 CarbonylContact C-O 3.51Å; C1348-K1361 WeakPolarHBondContact CA-O 3.35Å; C1348-K1361 VanDerWaalsContact SG-C 3.53Å; C1348-K1361 PolarHBondContact SG-O 2.99Å |
| 1349 | E | 95 | Very high | 88.3 | Confident | 113.4 Ų | 113.4 | 58.6 Ų | 58.6 | 53% | 0.53 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 110.8 | -175.8 | -179.6 | -172.8 | -175.4 | 0 | 0 | 110.1 | L1351 C1360 K1361 | E1349-L1351 HydrophobicContact CG-CD2 4.39Å; E1349-L1351 PolarHBondContact O-N 3.16Å; E1349-C1360 CarbonylContact O-C 3.51Å; E1349-C1360 WeakPolarHBondContact O-CA 3.27Å; E1349-C1360 VanDerWaalsContact O-CB 3.3Å; E1349-C1360 WeakPolarHBondContact O-CB 3.27Å; E1349-K1361 HydrophobicContact CB-CB 4.35Å; E1349-K1361 PolarHBondContact N-O 3.02Å; E1349-K1361 PolarHBondContact O-N 3.08Å; E1349-K1361 IonicContact OE2-NZ 2.7Å |
| 1350 | I | 94.7 | Very high | 89.4 | Confident | 50.6 Ų | 50.6 | 55.8 Ų | 55.8 | 26% | 0.259 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 117.1 | -177 | -61.5 | 176.3 | 0 | 0 | 0 | 109.8 | V1326 V1328 C1348 K1353 I1358 C1360 | V1326-I1350 HydrophobicContact CG1-CD1 4.15Å; V1326-I1350 HydrophobicContact CG2-CD1 3.92Å; V1326-I1350 WeakPolarHBondContact O-CD1 3.43Å; V1328-I1350 HydrophobicContact CG2-CD1 4.24Å; V1328-I1350 HydrophobicContact CG2-CG1 4.35Å; C1348-I1350 PolarHBondContact O-N 2.94Å; C1348-I1350 VanDerWaalsContact O-N 3.15Å; I1350-K1353 HydrophobicContact CD1-CD 4.33Å; I1350-K1353 HydrophobicContact CG2-CB 4.11Å; I1350-K1353 HydrophobicContact CG2-CD 4.07Å; I1350-K1353 HydrophobicContact CG2-CG 4.06Å; I1350-I1358 HydrophobicContact CD1-CG2 4.33Å; I1350-I1358 HydrophobicContact CG1-CG2 4.08Å; I1350-I1358 HydrophobicContact CG2-CG2 4.15Å; I1350-C1360 HydrophobicContact CG1-CB 4.26Å |
| 1351 | L | 94.2 | Very high | 90.1 | Very high | 82.6 Ų | 82.6 | 59.2 Ų | 59.2 | 43% | 0.432 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -39.9 | 175.8 | -57 | -178.1 | 0 | 0 | 0 | 111.4 | I1314 E1349 Q1359 K1361 | I1314-L1351 HydrophobicContact CD1-CD1 3.93Å; I1314-L1351 VanDerWaalsContact CD1-CD1 3.5Å; I1314-L1351 HydrophobicContact CG1-CD1 4.26Å; I1314-L1351 HydrophobicContact CG2-CD1 4.35Å; E1349-L1351 HydrophobicContact CG-CD2 4.39Å; E1349-L1351 PolarHBondContact O-N 3.16Å; L1351-Q1359 HydrophobicContact CB-CG 4.43Å; L1351-Q1359 HydrophobicContact CD1-CG 4.39Å; L1351-Q1359 PolarHBondContact N-O 3.07Å; L1351-K1361 HydrophobicContact CD1-CB 4.31Å; L1351-K1361 HydrophobicContact CD2-CB 4.38Å; L1351-K1361 HydrophobicContact CG-CB 4.36Å |
| 1352 | S | 94.5 | Very high | 91.1 | Very high | 60.8 Ų | 60.8 | 57.1 Ų | 57.1 | 43% | 0.425 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 152.6 | 174.7 | 64.5 | 0 | 0 | 0 | 0 | 111 | Q1359 | S1352-Q1359 PolarHBondContact N-O 3.3Å; S1352-Q1359 PolarHBondContact O-N 2.88Å; S1352-Q1359 VanDerWaalsContact O-O 3.14Å; S1352-Q1359 WeakPolarHBondContact OG-CB 3.23Å |
| 1353 | K | 92 | Very high | 91.9 | Very high | 68 Ų | 68 | 55 Ų | 55 | 30% | 0.296 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 151.7 | 176.6 | 57.1 | 177.9 | 168.3 | -172.4 | 0 | 112.1 | N1323 D1324 V1326 I1350 T1357 I1358 | N1323-K1353 WeakPolarHBondContact O-CD 3.43Å; N1323-K1353 PolarHBondContact O-NZ 3.04Å; N1323-K1353 VanDerWaalsContact O-NZ 3.16Å; D1324-K1353 PolarHBondContact O-NZ 3.1Å; V1326-K1353 HydrophobicContact CG1-CD 3.57Å; V1326-K1353 HydrophobicContact CG2-CD 3.69Å; V1326-K1353 PolarHBondContact O-NZ 3.18Å; V1326-K1353 VanDerWaalsContact O-NZ 3.07Å; I1350-K1353 HydrophobicContact CD1-CD 4.33Å; I1350-K1353 HydrophobicContact CG2-CB 4.11Å; I1350-K1353 HydrophobicContact CG2-CD 4.07Å; I1350-K1353 HydrophobicContact CG2-CG 4.06Å; K1353-T1357 CarbonylContact C-O 3.53Å; K1353-T1357 VanDerWaalsContact CA-O 3.3Å; K1353-T1357 WeakPolarHBondContact CA-O 3.36Å; K1353-I1358 HydrophobicContact CB-CB 4.48Å; K1353-I1358 HydrophobicContact CB-CG1 4Å; K1353-I1358 HydrophobicContact CB-CG2 4.47Å |
| 1354 | N | 89.9 | Confident | 92.2 | Very high | 80.2 Ų | 80.2 | 56.2 Ų | 56.2 | 43% | 0.429 | 31% | 0.305 | S | S | . | . | trans | -140.8 | -169.2 | 166.1 | 64.3 | 41.1 | 0 | 0 | 0 | 108.5 | F1322 T1356 T1357 | F1322-N1354 VanDerWaalsContact CB-O 3.28Å; F1322-N1354 WeakPolarHBondContact CB-O 3.27Å; N1354-T1356 VanDerWaalsContact C-N 3.27Å; N1354-T1356 PolarHBondContact O-N 3.09Å; N1354-T1356 VanDerWaalsContact O-N 3.13Å; N1354-T1356 PolarHBondContact OD1-N 3.03Å; N1354-T1356 PolarHBondContact OD1-OG1 3.2Å; N1354-T1356 VanDerWaalsContact OD1-OG1 3.1Å; N1354-T1357 VanDerWaalsContact CG-OG1 3.25Å; N1354-T1357 PolarHBondContact N-O 3Å; N1354-T1357 PolarHBondContact ND2-OG1 2.93Å; N1354-T1357 PolarHBondContact OD1-N 3.21Å; N1354-T1357 PolarHBondContact OD1-O 2.91Å; N1354-T1357 PolarHBondContact OD1-OG1 3.12Å; N1354-T1357 VanDerWaalsContact OD1-OG1 3.14Å | ||
| 1355 | S | 86.2 | Confident | 92.4 | Very high | 51 Ų | 51 | 51.8 Ų | 51.8 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -64.7 | -15.2 | -176.5 | 52.9 | 0 | 0 | 0 | 0 | 115.9 | G1321 F1322 | G1321-S1355 PolarHBondContact N-O 3Å; G1321-S1355 VanDerWaalsContact N-O 3.13Å; F1322-S1355 PolarHBondContact N-O 3.11Å; F1322-S1355 VanDerWaalsContact N-O 3.13Å; F1322-S1355 WeakPolarHBondContact O-CA 3.26Å |
| 1356 | T | 90.7 | Very high | 92.4 | Very high | 63 Ų | 63 | 48.7 Ų | 48.7 | 39% | 0.387 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -129.9 | -17 | -174.5 | 58.5 | 0 | 0 | 0 | 0 | 115 | V1318 G1319 E1320 F1322 N1354 | V1318-T1356 CarbonylContact C-O 3.4Å; V1318-T1356 WeakPolarHBondContact CA-O 3.32Å; G1319-T1356 PolarHBondContact N-O 3.06Å; G1319-T1356 CarbonylContact O-C 3.53Å; G1319-T1356 WeakPolarHBondContact O-CA 3.43Å; G1319-T1356 WeakPolarHBondContact O-CB 3.31Å; G1319-T1356 VanDerWaalsContact O-O 3.09Å; E1320-T1356 HydrophobicContact CG-CG2 4.38Å; F1322-T1356 WeakPolarHBondContact CE2-O 3.27Å; N1354-T1356 VanDerWaalsContact C-N 3.27Å; N1354-T1356 PolarHBondContact O-N 3.09Å; N1354-T1356 VanDerWaalsContact O-N 3.13Å; N1354-T1356 PolarHBondContact OD1-N 3.03Å; N1354-T1356 PolarHBondContact OD1-OG1 3.2Å; N1354-T1356 VanDerWaalsContact OD1-OG1 3.1Å |
| 1357 | T | 94.1 | Very high | 92.5 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 34% | 0.337 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 139 | -178.2 | 65.8 | 0 | 0 | 0 | 0 | 111.7 | I1317 V1318 K1353 N1354 | I1317-T1357 CarbonylContact O-C 3.44Å; I1317-T1357 VanDerWaalsContact O-CA 3.29Å; I1317-T1357 WeakPolarHBondContact O-CA 3.25Å; V1318-T1357 HydrophobicContact CG1-CG2 4.22Å; K1353-T1357 CarbonylContact C-O 3.53Å; K1353-T1357 VanDerWaalsContact CA-O 3.3Å; K1353-T1357 WeakPolarHBondContact CA-O 3.36Å; N1354-T1357 VanDerWaalsContact CG-OG1 3.25Å; N1354-T1357 PolarHBondContact N-O 3Å; N1354-T1357 PolarHBondContact ND2-OG1 2.93Å; N1354-T1357 PolarHBondContact OD1-N 3.21Å; N1354-T1357 PolarHBondContact OD1-O 2.91Å; N1354-T1357 PolarHBondContact OD1-OG1 3.12Å; N1354-T1357 VanDerWaalsContact OD1-OG1 3.14Å |
| 1358 | I | 96.3 | Very high | 92.4 | Very high | 1.2 Ų | 1.2 | 50.6 Ų | 50.6 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128.4 | 168.8 | -61 | 162.2 | 0 | 0 | 0 | 107.7 | I1317 F1322 V1326 V1328 I1350 K1353 C1360 V1479 | I1317-I1358 HydrophobicContact CB-CB 4.3Å; I1317-I1358 PolarHBondContact N-O 2.94Å; I1317-I1358 PolarHBondContact O-N 2.86Å; F1322-I1358 HydrophobicContact CB-CD1 4.23Å; F1322-I1358 HydrophobicContact CB-CG1 4.3Å; F1322-I1358 HydrophobicContact CD1-CD1 3.88Å; F1322-I1358 HydrophobicContact CD2-CD1 3.69Å; F1322-I1358 HydrophobicContact CD2-CG1 3.61Å; F1322-I1358 HydrophobicContact CE1-CD1 4.11Å; F1322-I1358 HydrophobicContact CE2-CD1 3.92Å; F1322-I1358 HydrophobicContact CE2-CG1 4Å; F1322-I1358 HydrophobicContact CG-CD1 3.66Å; F1322-I1358 HydrophobicContact CG-CG1 3.98Å; F1322-I1358 HydrophobicContact CZ-CD1 4.12Å; V1326-I1358 HydrophobicContact CB-CD1 4.43Å; V1326-I1358 HydrophobicContact CG1-CD1 3.65Å; V1326-I1358 HydrophobicContact CG1-CG1 4.25Å; V1326-I1358 HydrophobicContact CG2-CD1 3.87Å; V1326-I1358 HydrophobicContact CG2-CG1 4.38Å; V1328-I1358 HydrophobicContact CG2-CD1 4.12Å; V1328-I1358 HydrophobicContact CG2-CG2 4.03Å; I1350-I1358 HydrophobicContact CD1-CG2 4.33Å; I1350-I1358 HydrophobicContact CG1-CG2 4.08Å; I1350-I1358 HydrophobicContact CG2-CG2 4.15Å; K1353-I1358 HydrophobicContact CB-CB 4.48Å; K1353-I1358 HydrophobicContact CB-CG1 4Å; K1353-I1358 HydrophobicContact CB-CG2 4.47Å; I1358-C1360 HydrophobicContact CG2-CB 4.34Å; I1358-V1479 HydrophobicContact CD1-CG1 4.02Å |
| 1359 | Q | 96.1 | Very high | 92.4 | Very high | 65.6 Ų | 65.6 | 51.6 Ų | 51.6 | 31% | 0.307 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 123.1 | 165.7 | -176.4 | 174.5 | 75.4 | 0 | 0 | 108.2 | I1314 V1315 N1316 L1351 S1352 | I1314-Q1359 HydrophobicContact CG2-CG 3.57Å; V1315-Q1359 WeakPolarHBondContact O-CA 3.43Å; N1316-Q1359 WeakPolarHBondContact OD1-CG 3.43Å; N1316-Q1359 PolarHBondContact OD1-NE2 2.88Å; L1351-Q1359 HydrophobicContact CB-CG 4.43Å; L1351-Q1359 HydrophobicContact CD1-CG 4.39Å; L1351-Q1359 PolarHBondContact N-O 3.07Å; S1352-Q1359 PolarHBondContact N-O 3.3Å; S1352-Q1359 PolarHBondContact O-N 2.88Å; S1352-Q1359 VanDerWaalsContact O-O 3.14Å; S1352-Q1359 WeakPolarHBondContact OG-CB 3.23Å |
| 1360 | C | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 156 | 178.8 | 73.7 | 0 | 0 | 0 | 0 | 111.8 | I1314 V1315 C1348 E1349 I1350 I1358 | I1314-C1360 WeakPolarHBondContact CA-O 3.24Å; V1315-C1360 WeakPolarHBondContact CG2-O 3.27Å; V1315-C1360 VanDerWaalsContact CG2-SG 3.51Å; V1315-C1360 WeakPolarHBondContact CG2-SG 3.36Å; V1315-C1360 PolarHBondContact N-O 2.98Å; V1315-C1360 PolarHBondContact O-N 3.05Å; C1348-C1360 HydrophobicContact CB-CB 3.83Å; C1348-C1360 WeakPolarHBondContact CB-SG 3.29Å; C1348-C1360 WeakPolarHBondContact SG-CB 3.34Å; C1348-C1360 CovalentContact SG-SG 2.04Å; C1348-C1360 PolarHBondContact SG-SG 3.12Å; E1349-C1360 CarbonylContact O-C 3.51Å; E1349-C1360 WeakPolarHBondContact O-CA 3.27Å; E1349-C1360 VanDerWaalsContact O-CB 3.3Å; E1349-C1360 WeakPolarHBondContact O-CB 3.27Å; I1350-C1360 HydrophobicContact CG1-CB 4.26Å; I1358-C1360 HydrophobicContact CG2-CB 4.34Å |
| 1361 | K | 94.4 | Very high | 92.5 | Very high | 73.8 Ų | 73.8 | 49.9 Ų | 49.9 | 32% | 0.321 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.8 | 177.6 | -176.7 | 178.6 | 179.1 | -176.3 | 0 | 109.3 | Q1313 I1314 C1348 E1349 L1351 | Q1313-K1361 CarbonylContact O-C 3.6Å; Q1313-K1361 WeakPolarHBondContact O-CA 3.41Å; I1314-K1361 HydrophobicContact CD1-CB 3.78Å; I1314-K1361 HydrophobicContact CD1-CD 4.19Å; I1314-K1361 HydrophobicContact CD1-CG 3.86Å; C1348-K1361 CarbonylContact C-O 3.51Å; C1348-K1361 WeakPolarHBondContact CA-O 3.35Å; C1348-K1361 VanDerWaalsContact SG-C 3.53Å; C1348-K1361 PolarHBondContact SG-O 2.99Å; E1349-K1361 HydrophobicContact CB-CB 4.35Å; E1349-K1361 PolarHBondContact N-O 3.02Å; E1349-K1361 PolarHBondContact O-N 3.08Å; E1349-K1361 IonicContact OE2-NZ 2.7Å; L1351-K1361 HydrophobicContact CD1-CB 4.31Å; L1351-K1361 HydrophobicContact CD2-CB 4.38Å; L1351-K1361 HydrophobicContact CG-CB 4.36Å |
| 1362 | T | 94 | Very high | 92.5 | Very high | 3.8 Ų | 3.8 | 49.1 Ų | 49.1 | 2% | 0.023 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 140.1 | -179.4 | 57.2 | 0 | 0 | 0 | 0 | 111.3 | G1311 G1312 Q1313 V1315 M1330 F1524 Y1526 | G1311-T1362 CarbonylContact C-O 3.53Å; G1311-T1362 WeakPolarHBondContact CA-O 3.37Å; G1312-T1362 PolarHBondContact N-O 3.13Å; G1312-T1362 PolarHBondContact N-OG1 3.04Å; G1312-T1362 VanDerWaalsContact N-OG1 3.17Å; Q1313-T1362 HydrophobicContact CB-CG2 4.32Å; Q1313-T1362 WeakPolarHBondContact CB-OG1 3.39Å; Q1313-T1362 PolarHBondContact N-OG1 3.28Å; Q1313-T1362 VanDerWaalsContact N-OG1 3.09Å; Q1313-T1362 PolarHBondContact O-N 3.08Å; Q1313-T1362 PolarHBondContact O-OG1 3.01Å; Q1313-T1362 PolarHBondContact OE1-OG1 2.91Å; V1315-T1362 HydrophobicContact CG1-CG2 4.16Å; V1315-T1362 HydrophobicContact CG2-CG2 4.13Å; M1330-T1362 HydrophobicContact CE-CG2 4.18Å; T1362-F1524 HydrophobicContact CG2-CE1 4.11Å; T1362-F1524 HydrophobicContact CG2-CE2 4.44Å; T1362-F1524 HydrophobicContact CG2-CZ 4Å; T1362-Y1526 HydrophobicContact CG2-CE1 4.37Å |
| 1363 | T | 92.7 | Very high | 92.3 | Very high | 52.2 Ų | 52.2 | 47.3 Ų | 47.3 | 32% | 0.32 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -82.1 | 162.2 | 170.5 | 48.5 | 0 | 0 | 0 | 0 | 111.8 | G1311 G1346 E1347 Y1526 | G1311-T1363 WeakPolarHBondContact CA-O 3.27Å; G1346-T1363 WeakPolarHBondContact CA-OG1 3.44Å; E1347-T1363 PolarHBondContact N-OG1 2.98Å; E1347-T1363 VanDerWaalsContact O-CB 3.27Å; E1347-T1363 WeakPolarHBondContact O-CB 3.31Å; E1347-T1363 WeakPolarHBondContact O-CG2 3.31Å; E1347-T1363 PolarHBondContact O-N 3.06Å; E1347-T1363 PolarHBondContact O-OG1 2.8Å; T1363-Y1526 WeakPolarHBondContact O-CE1 3.48Å; T1363-Y1526 PolarHBondContact O-OH 3.2Å |
| 1364 | S | 89.2 | Confident | 92.1 | Very high | 48.2 Ų | 48.2 | 46.7 Ų | 46.7 | 34% | 0.337 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 138.7 | 174.1 | -168.2 | 0 | 0 | 0 | 0 | 111.7 | V1310 V1366 | V1310-S1364 VanDerWaalsContact C-OG 3.31Å; V1310-S1364 VanDerWaalsContact CA-OG 3.26Å; V1310-S1364 WeakPolarHBondContact CA-OG 3.44Å; V1310-S1364 VanDerWaalsContact O-CA 3.3Å; V1310-S1364 WeakPolarHBondContact O-CA 3.39Å; V1310-S1364 VanDerWaalsContact O-CB 3.23Å; V1310-S1364 WeakPolarHBondContact O-CB 3.43Å; V1310-S1364 PolarHBondContact O-OG 2.78Å; S1364-V1366 VanDerWaalsContact C-N 3.31Å; S1364-V1366 VanDerWaalsContact OG-CB 3.22Å; S1364-V1366 WeakPolarHBondContact OG-CB 3.34Å; S1364-V1366 WeakPolarHBondContact OG-CG1 3.48Å; S1364-V1366 VanDerWaalsContact OG-CG2 3.27Å; S1364-V1366 WeakPolarHBondContact OG-CG2 3.34Å; S1364-V1366 PolarHBondContact OG-N 3.05Å; S1364-V1366 VanDerWaalsContact OG-N 3.13Å |
| 1365 | M | 87.5 | Confident | 91.9 | Very high | 9.2 Ų | 9.2 | 43 Ų | 43 | 5% | 0.045 | 23% | 0.233 | C | C | . | . | trans | -83 | -7.5 | 169.8 | -72.8 | -65 | -116 | 0 | 0 | 112.2 | F1309 M1330 P1332 C1340 R1343 F1470 C1473 T1475 Y1526 | F1309-M1365 HydrophobicContact CD1-CB 3.96Å; F1309-M1365 HydrophobicContact CE1-CB 3.67Å; F1309-M1365 HydrophobicContact CE2-CB 4.37Å; F1309-M1365 HydrophobicContact CG-CB 4.42Å; F1309-M1365 HydrophobicContact CZ-CB 3.89Å; F1309-M1365 WeakPolarHBondContact O-CB 3.29Å; F1309-M1365 PolarHBondContact O-N 3.27Å; M1330-M1365 HydrophobicContact CB-CE 3.96Å; P1332-M1365 HydrophobicContact CG-CE 3.76Å; P1332-M1365 VanDerWaalsContact CG-CE 3.5Å; C1340-M1365 WeakPolarHBondContact SG-CE 3.3Å; R1343-M1365 HydrophobicContact CB-CE 4.03Å; R1343-M1365 VanDerWaalsContact CD-O 3.29Å; R1343-M1365 WeakPolarHBondContact CD-O 3.35Å; R1343-M1365 HydrophobicContact CG-CE 4.48Å; R1343-M1365 PolarHBondContact NE-O 3.15Å; R1343-M1365 PolarHBondContact NH1-O 3.12Å; M1365-F1470 HydrophobicContact CB-CE2 4.3Å; M1365-F1470 HydrophobicContact CB-CZ 4.45Å; M1365-C1473 VanDerWaalsContact CE-SG 3.52Å; M1365-T1475 HydrophobicContact CE-CG2 4.05Å; M1365-Y1526 HydrophobicContact CB-CD1 4.45Å; M1365-Y1526 HydrophobicContact CE-CD2 4.01Å; M1365-Y1526 HydrophobicContact CE-CE1 4.42Å; M1365-Y1526 HydrophobicContact CE-CE2 3.75Å; M1365-Y1526 HydrophobicContact CG-CD1 3.75Å; M1365-Y1526 HydrophobicContact CG-CD2 3.69Å; M1365-Y1526 HydrophobicContact CG-CE1 3.83Å; M1365-Y1526 HydrophobicContact CG-CE2 3.79Å; M1365-Y1526 HydrophobicContact CG-CG 3.66Å; M1365-Y1526 VanDerWaalsContact CG-CG 3.49Å; M1365-Y1526 HydrophobicContact SD-CD2 3.98Å; M1365-Y1526 HydrophobicContact SD-CE2 3.9Å; M1365-Y1526 VanDerWaalsContact SD-CE2 3.51Å; M1365-Y1526 HydrophobicContact SD-CG 4.49Å | ||
| 1366 | V | 88 | Confident | 91.8 | Very high | 43.2 Ų | 43.2 | 46.1 Ų | 46.1 | 26% | 0.262 | 25% | 0.245 | S | C | . | . | trans | -62.2 | 140.6 | 179.5 | -96.9 | 0 | 0 | 0 | 0 | 111.8 | F1309 V1310 S1364 I1394 G1396 D1397 | F1309-V1366 HydrophobicContact CD1-CG1 4.38Å; F1309-V1366 HydrophobicContact CD2-CG1 4.28Å; F1309-V1366 HydrophobicContact CD2-CG2 4.05Å; F1309-V1366 HydrophobicContact CE2-CG1 3.9Å; F1309-V1366 HydrophobicContact CE2-CG2 3.95Å; V1310-V1366 HydrophobicContact CG1-CG1 3.99Å; V1310-V1366 HydrophobicContact CG1-CG2 3.96Å; S1364-V1366 VanDerWaalsContact C-N 3.31Å; S1364-V1366 VanDerWaalsContact OG-CB 3.22Å; S1364-V1366 WeakPolarHBondContact OG-CB 3.34Å; S1364-V1366 WeakPolarHBondContact OG-CG1 3.48Å; S1364-V1366 VanDerWaalsContact OG-CG2 3.27Å; S1364-V1366 WeakPolarHBondContact OG-CG2 3.34Å; S1364-V1366 PolarHBondContact OG-N 3.05Å; S1364-V1366 VanDerWaalsContact OG-N 3.13Å; V1366-I1394 HydrophobicContact CG1-CD1 4.46Å; V1366-G1396 VanDerWaalsContact CB-O 3.32Å; V1366-G1396 WeakPolarHBondContact CB-O 3.36Å; V1366-G1396 VanDerWaalsContact CG1-C 3.44Å; V1366-G1396 WeakPolarHBondContact CG1-O 3.34Å; V1366-D1397 WeakPolarHBondContact CA-OD1 3.25Å | ||
| 1367 | K | 88.8 | Confident | 91.3 | Very high | 83 Ų | 83 | 44.7 Ų | 44.7 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | trans | -115.1 | 145 | -175.4 | -178.7 | 173.3 | 174.2 | -178.5 | 0 | 110.5 | D1342 R1343 D1397 T1398 | D1342-K1367 PolarHBondContact O-NZ 2.93Å; D1342-K1367 IonicContact OD2-NZ 3.44Å; D1342-K1367 PolarHBondContact OD2-NZ 3.09Å; R1343-K1367 HydrophobicContact CG-CD 4.49Å; K1367-D1397 PolarHBondContact N-OD1 2.99Å; K1367-D1397 WeakPolarHBondContact O-CA 3.36Å; K1367-D1397 VanDerWaalsContact O-CB 3.3Å; K1367-D1397 WeakPolarHBondContact O-CB 3.36Å; K1367-T1398 PolarHBondContact O-N 3.12Å | ||
| 1368 | T | 92.6 | Very high | 90.4 | Very high | 55.4 Ų | 55.4 | 45.9 Ų | 45.9 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 126.3 | 166.6 | -54 | 0 | 0 | 0 | 0 | 109.7 | Y1370 T1398 V1400 | T1368-Y1370 HydrophobicContact CG2-CE1 4.45Å; T1368-Y1370 HydrophobicContact CG2-CE2 4.09Å; T1368-T1398 CarbonylContact C-O 3.48Å; T1368-T1398 WeakPolarHBondContact CA-O 3.33Å; T1368-T1398 HydrophobicContact CG2-CG2 4.29Å; T1368-V1400 HydrophobicContact CG2-CB 4.44Å; T1368-V1400 HydrophobicContact CG2-CG2 3.55Å; T1368-V1400 VanDerWaalsContact CG2-CG2 3.48Å |
| 1369 | H | 94.3 | Very high | 89.3 | Confident | 23.4 Ų | 23.4 | 51.9 Ų | 51.9 | 11% | 0.108 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 152.6 | 175.6 | -56.5 | -97.1 | 0 | 0 | 0 | 110 | L1391 I1393 D1397 T1398 V1399 V1400 | H1369-L1391 HydrophobicContact CB-CD1 4.45Å; H1369-L1391 HydrophobicContact CB-CD2 3.6Å; H1369-I1393 VanDerWaalsContact CD2-CG2 3.49Å; H1369-I1393 WeakPolarHBondContact CD2-CG2 3.5Å; H1369-I1393 WeakPolarHBondContact NE2-CG2 3.08Å; H1369-D1397 IonicContact CD2-OD2 2.76Å; H1369-D1397 IonicContact CE1-OD2 3.6Å; H1369-D1397 IonicContact NE2-OD2 3.36Å; H1369-D1397 PolarHBondContact NE2-OD2 3.09Å; H1369-T1398 PolarHBondContact N-O 2.92Å; H1369-V1399 HydrophobicContact CB-CG2 4.49Å; H1369-V1399 CarbonylContact O-C 3.15Å; H1369-V1399 WeakPolarHBondContact O-CA 3.17Å; H1369-V1400 PolarHBondContact O-N 2.99Å |
| 1370 | Y | 96.2 | Very high | 88.4 | Confident | 127.8 Ų | 127.8 | 54.6 Ų | 54.6 | 50% | 0.501 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 135.2 | -176.3 | -64 | -89.9 | 0 | 0 | 0 | 110.8 | T1368 V1400 I1402 | T1368-Y1370 HydrophobicContact CG2-CE1 4.45Å; T1368-Y1370 HydrophobicContact CG2-CE2 4.09Å; Y1370-V1400 CarbonylContact C-O 3.51Å; Y1370-V1400 VanDerWaalsContact CA-O 3.31Å; Y1370-V1400 WeakPolarHBondContact CA-O 3.4Å; Y1370-V1400 HydrophobicContact CD1-CB 3.8Å; Y1370-V1400 HydrophobicContact CD1-CG1 4.05Å; Y1370-V1400 HydrophobicContact CD1-CG2 4.48Å; Y1370-V1400 HydrophobicContact CE1-CB 3.94Å; Y1370-V1400 HydrophobicContact CE1-CG1 4.08Å; Y1370-V1400 HydrophobicContact CE1-CG2 4.28Å; Y1370-I1402 HydrophobicContact CD1-CD1 3.94Å; Y1370-I1402 HydrophobicContact CE1-CD1 4.37Å |
| 1371 | I | 96.2 | Very high | 87.7 | Confident | 0.4 Ų | 0.4 | 55.8 Ų | 55.8 | 0% | 0.002 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 124.5 | 174.9 | -60.5 | -176.7 | 0 | 0 | 0 | 107.9 | W1386 L1391 V1399 V1400 W1401 I1402 Y1453 I1465 | I1371-W1386 HydrophobicContact CG2-CB 3.88Å; I1371-W1386 HydrophobicContact CG2-CD2 4.16Å; I1371-W1386 HydrophobicContact CG2-CE3 3.86Å; I1371-W1386 HydrophobicContact CG2-CG 4.19Å; I1371-L1391 HydrophobicContact CD1-CD2 4.3Å; I1371-L1391 HydrophobicContact CG1-CD2 4.43Å; I1371-V1399 HydrophobicContact CD1-CG1 3.57Å; I1371-V1399 HydrophobicContact CG1-CG1 3.84Å; I1371-V1400 PolarHBondContact N-O 3.09Å; I1371-W1401 HydrophobicContact CB-CG 4.31Å; I1371-W1401 CarbonylContact O-C 3.52Å; I1371-W1401 VanDerWaalsContact O-CA 3.3Å; I1371-W1401 WeakPolarHBondContact O-CA 3.37Å; I1371-I1402 PolarHBondContact O-N 3.03Å; I1371-Y1453 HydrophobicContact CD1-CE1 4.45Å; I1371-Y1453 WeakPolarHBondContact CD1-OH 3.41Å; I1371-I1465 HydrophobicContact CD1-CD1 4.44Å |
| 1372 | L | 94.2 | Very high | 87.2 | Confident | 66.4 Ų | 66.4 | 58 Ų | 58 | 35% | 0.348 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 152.8 | -174.4 | -54.7 | -179.5 | 0 | 0 | 0 | 111 | S1374 W1386 Q1387 I1402 | L1372-S1374 PolarHBondContact O-N 3.04Å; L1372-S1374 VanDerWaalsContact O-N 3.1Å; L1372-W1386 CarbonylContact O-C 3.53Å; L1372-W1386 WeakPolarHBondContact O-CA 3.3Å; L1372-Q1387 PolarHBondContact N-O 3.11Å; L1372-Q1387 PolarHBondContact O-N 2.79Å; L1372-I1402 WeakPolarHBondContact CA-O 3.42Å; L1372-I1402 HydrophobicContact CD2-CB 3.78Å; L1372-I1402 HydrophobicContact CD2-CD1 4.29Å; L1372-I1402 HydrophobicContact CD2-CG1 4.33Å; L1372-I1402 HydrophobicContact CD2-CG2 4.47Å |
| 1373 | D | 89.7 | Confident | 86.6 | Confident | 21.6 Ų | 21.6 | 58 Ų | 58 | 12% | 0.116 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 28.9 | 172.7 | 70.4 | -33.4 | 0 | 0 | 0 | 113.2 | G1375 G1383 E1385 W1386 I1402 W1403 N1404 R1408 L1412 M1461 | D1373-G1375 PolarHBondContact O-N 2.97Å; D1373-G1375 VanDerWaalsContact O-N 3.17Å; D1373-G1383 CarbonylContact O-C 3.49Å; D1373-G1383 VanDerWaalsContact O-C 3.26Å; D1373-G1383 WeakPolarHBondContact O-CA 3.22Å; D1373-G1383 VanDerWaalsContact O-O 3.06Å; D1373-E1385 CarbonylContact C-O 3.57Å; D1373-W1386 HydrophobicContact CB-CE3 4.34Å; D1373-W1386 HydrophobicContact CB-CH2 4.45Å; D1373-W1386 HydrophobicContact CB-CZ3 3.89Å; D1373-I1402 PolarHBondContact N-O 2.93Å; D1373-W1403 HydrophobicContact CB-CB 3.95Å; D1373-W1403 WeakPolarHBondContact OD1-CA 3.3Å; D1373-W1403 WeakPolarHBondContact OD2-CA 3.46Å; D1373-W1403 VanDerWaalsContact OD2-CB 3.24Å; D1373-W1403 WeakPolarHBondContact OD2-CB 3.41Å; D1373-N1404 PolarHBondContact OD1-N 3.11Å; D1373-N1404 PolarHBondContact OD2-N 3.03Å; D1373-N1404 VanDerWaalsContact OD2-N 3.1Å; D1373-R1408 IonicContact OD2-CZ 3.45Å; D1373-R1408 IonicContact OD2-NH1 3.73Å; D1373-R1408 PolarHBondContact OD2-NH1 2.75Å; D1373-R1408 IonicContact OD2-NH2 2.94Å; D1373-R1408 PolarHBondContact OD2-NH2 2.81Å; D1373-L1412 HydrophobicContact CB-CD1 4.43Å; D1373-M1461 HydrophobicContact CB-CE 4.11Å |
| 1374 | S | 87.8 | Confident | 86.3 | Confident | 56.2 Ų | 56.2 | 58.3 Ų | 58.3 | 39% | 0.393 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 8.7 | -175.9 | 66.6 | 0 | 0 | 0 | 0 | 114.6 | L1372 L1382 | L1372-S1374 PolarHBondContact O-N 3.04Å; L1372-S1374 VanDerWaalsContact O-N 3.1Å; S1374-L1382 WeakPolarHBondContact O-CD1 3.28Å |
| 1375 | G | 86.3 | Confident | 86.2 | Confident | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 157.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1373 L1382 G1383 Y1384 E1385 | D1373-G1375 PolarHBondContact O-N 2.97Å; D1373-G1375 VanDerWaalsContact O-N 3.17Å; G1375-L1382 CarbonylContact O-C 3.47Å; G1375-L1382 WeakPolarHBondContact O-CA 3.41Å; G1375-G1383 CarbonylContact O-C 3.44Å; G1375-G1383 WeakPolarHBondContact O-CA 3.4Å; G1375-G1383 PolarHBondContact O-N 3.28Å; G1375-Y1384 PolarHBondContact O-N 3.07Å; G1375-E1385 WeakPolarHBondContact CA-O 3.39Å; G1375-E1385 PolarHBondContact N-O 2.99Å; G1375-E1385 PolarHBondContact O-N 2.84Å |
| 1376 | I | 82.7 | Confident | 86.5 | Confident | 115.6 Ų | 115.6 | 57.6 Ų | 57.6 | 59% | 0.593 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 109.4 | -175.3 | -58.6 | 171.7 | 0 | 0 | 0 | 109.3 | G1381 L1382 | I1376-G1381 WeakPolarHBondContact CA-O 3.2Å; I1376-L1382 HydrophobicContact CD1-CD1 4.33Å; I1376-L1382 HydrophobicContact CG1-CB 4.41Å; I1376-L1382 HydrophobicContact CG1-CD1 3.67Å |
| 1377 | D | 81.6 | Confident | 86.6 | Confident | 34 Ų | 34 | 60.4 Ų | 60.4 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 138.8 | 170.3 | 176.9 | -95.1 | 0 | 0 | 0 | 110.3 | V1379 R1380 G1381 E1385 | D1377-V1379 VanDerWaalsContact C-N 3.27Å; D1377-V1379 PolarHBondContact O-N 2.86Å; D1377-V1379 VanDerWaalsContact O-N 3.16Å; D1377-V1379 WeakPolarHBondContact OD1-CA 3.17Å; D1377-V1379 WeakPolarHBondContact OD1-CB 3.14Å; D1377-V1379 PolarHBondContact OD1-N 3.03Å; D1377-V1379 PolarHBondContact OD2-N 3.09Å; D1377-R1380 HydrophobicContact CB-CB 4.23Å; D1377-R1380 VanDerWaalsContact OD1-CB 3.3Å; D1377-R1380 WeakPolarHBondContact OD1-CB 3.23Å; D1377-R1380 WeakPolarHBondContact OD1-CD 3.34Å; D1377-R1380 VanDerWaalsContact OD1-CG 3.24Å; D1377-R1380 WeakPolarHBondContact OD1-CG 3.41Å; D1377-R1380 PolarHBondContact OD1-N 3.01Å; D1377-R1380 IonicContact OD1-NE 2.72Å; D1377-R1380 PolarHBondContact OD1-NE 2.84Å; D1377-R1380 WeakPolarHBondContact OD2-CB 3.43Å; D1377-R1380 VanDerWaalsContact OD2-CG 3.31Å; D1377-R1380 WeakPolarHBondContact OD2-CG 3.32Å; D1377-R1380 IonicContact OD2-CZ 3.25Å; D1377-R1380 PolarHBondContact OD2-N 2.95Å; D1377-R1380 IonicContact OD2-NE 2.81Å; D1377-R1380 PolarHBondContact OD2-NE 2.72Å; D1377-R1380 IonicContact OD2-NH1 2.86Å; D1377-R1380 PolarHBondContact OD2-NH1 2.99Å; D1377-R1380 VanDerWaalsContact OD2-NH1 3.11Å; D1377-R1380 IonicContact OD2-NH2 2.74Å; D1377-R1380 PolarHBondContact OD2-NH2 2.85Å; D1377-G1381 PolarHBondContact N-O 3.29Å; D1377-G1381 VanDerWaalsContact O-CA 3.27Å; D1377-G1381 WeakPolarHBondContact O-CA 3.37Å; D1377-G1381 PolarHBondContact O-N 3.19Å; D1377-E1385 HydrophobicContact CB-CB 4.47Å |
| 1378 | S | 73.3 | Confident | 86.8 | Confident | 79.4 Ų | 79.4 | 58.3 Ų | 58.3 | 56% | 0.555 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -23.7 | -178.4 | 60.7 | 0 | 0 | 0 | 0 | 114.6 | T933 | T933-S1378 WeakPolarHBondContact CG2-OG 3.41Å; T933-S1378 WeakPolarHBondContact OG1-CB 3.39Å; T933-S1378 PolarHBondContact OG1-OG 2.82Å |
| 1379 | V | 74.5 | Confident | 86.6 | Confident | 128 Ų | 128 | 57.6 Ų | 57.6 | 78% | 0.776 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -42 | -178.3 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | D1377 | D1377-V1379 VanDerWaalsContact C-N 3.27Å; D1377-V1379 PolarHBondContact O-N 2.86Å; D1377-V1379 VanDerWaalsContact O-N 3.16Å; D1377-V1379 WeakPolarHBondContact OD1-CA 3.17Å; D1377-V1379 WeakPolarHBondContact OD1-CB 3.14Å; D1377-V1379 PolarHBondContact OD1-N 3.03Å; D1377-V1379 PolarHBondContact OD2-N 3.09Å |
| 1380 | R | 77.3 | Confident | 86.5 | Confident | 122.4 Ų | 122.4 | 58.6 Ų | 58.6 | 46% | 0.462 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -15.9 | -171.5 | -59.6 | 173.2 | -161.3 | 156 | -1.4 | 114 | D1377 Y1384 | D1377-R1380 HydrophobicContact CB-CB 4.23Å; D1377-R1380 VanDerWaalsContact OD1-CB 3.3Å; D1377-R1380 WeakPolarHBondContact OD1-CB 3.23Å; D1377-R1380 WeakPolarHBondContact OD1-CD 3.34Å; D1377-R1380 VanDerWaalsContact OD1-CG 3.24Å; D1377-R1380 WeakPolarHBondContact OD1-CG 3.41Å; D1377-R1380 PolarHBondContact OD1-N 3.01Å; D1377-R1380 IonicContact OD1-NE 2.72Å; D1377-R1380 PolarHBondContact OD1-NE 2.84Å; D1377-R1380 WeakPolarHBondContact OD2-CB 3.43Å; D1377-R1380 VanDerWaalsContact OD2-CG 3.31Å; D1377-R1380 WeakPolarHBondContact OD2-CG 3.32Å; D1377-R1380 IonicContact OD2-CZ 3.25Å; D1377-R1380 PolarHBondContact OD2-N 2.95Å; D1377-R1380 IonicContact OD2-NE 2.81Å; D1377-R1380 PolarHBondContact OD2-NE 2.72Å; D1377-R1380 IonicContact OD2-NH1 2.86Å; D1377-R1380 PolarHBondContact OD2-NH1 2.99Å; D1377-R1380 VanDerWaalsContact OD2-NH1 3.11Å; D1377-R1380 IonicContact OD2-NH2 2.74Å; D1377-R1380 PolarHBondContact OD2-NH2 2.85Å; R1380-Y1384 HydrophobicContact CB-CD1 3.98Å; R1380-Y1384 HydrophobicContact CB-CD2 3.6Å; R1380-Y1384 VanDerWaalsContact CB-CD2 3.46Å; R1380-Y1384 HydrophobicContact CB-CE1 4.26Å; R1380-Y1384 HydrophobicContact CB-CE2 4.02Å; R1380-Y1384 HydrophobicContact CB-CG 3.56Å; R1380-Y1384 HydrophobicContact CG-CD1 4.18Å; R1380-Y1384 HydrophobicContact CG-CE1 4.35Å; R1380-Y1384 HydrophobicContact CG-CG 4.42Å; R1380-Y1384 VanDerWaalsContact O-CD2 3.29Å; R1380-Y1384 WeakPolarHBondContact O-CD2 3.36Å; R1380-Y1384 WeakPolarHBondContact O-CE2 3.27Å |
| 1381 | G | 80.4 | Confident | 86.3 | Confident | 24.6 Ų | 24.6 | 53.6 Ų | 53.6 | 25% | 0.254 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 84.9 | -153.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1376 D1377 G1383 Y1384 | I1376-G1381 WeakPolarHBondContact CA-O 3.2Å; D1377-G1381 PolarHBondContact N-O 3.29Å; D1377-G1381 VanDerWaalsContact O-CA 3.27Å; D1377-G1381 WeakPolarHBondContact O-CA 3.37Å; D1377-G1381 PolarHBondContact O-N 3.19Å; G1381-G1383 PolarHBondContact O-N 2.96Å; G1381-Y1384 PolarHBondContact O-N 2.8Å |
| 1382 | L | 83.2 | Confident | 86 | Confident | 119.8 Ų | 119.8 | 56.4 Ų | 56.4 | 63% | 0.627 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 133 | -171.5 | -176.6 | 68.1 | 0 | 0 | 0 | 112.8 | S1374 G1375 I1376 Y1384 R1408 | S1374-L1382 WeakPolarHBondContact O-CD1 3.28Å; G1375-L1382 CarbonylContact O-C 3.47Å; G1375-L1382 WeakPolarHBondContact O-CA 3.41Å; I1376-L1382 HydrophobicContact CD1-CD1 4.33Å; I1376-L1382 HydrophobicContact CG1-CB 4.41Å; I1376-L1382 HydrophobicContact CG1-CD1 3.67Å; L1382-Y1384 WeakPolarHBondContact O-CD2 3.18Å; L1382-R1408 PolarHBondContact O-NH2 2.8Å |
| 1383 | G | 82.7 | Confident | 85.9 | Confident | 3.4 Ų | 3.4 | 53.3 Ų | 53.3 | 4% | 0.035 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 89.1 | -0.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | D1373 G1375 G1381 E1385 R1408 M1461 | D1373-G1383 CarbonylContact O-C 3.49Å; D1373-G1383 VanDerWaalsContact O-C 3.26Å; D1373-G1383 WeakPolarHBondContact O-CA 3.22Å; D1373-G1383 VanDerWaalsContact O-O 3.06Å; G1375-G1383 CarbonylContact O-C 3.44Å; G1375-G1383 WeakPolarHBondContact O-CA 3.4Å; G1375-G1383 PolarHBondContact O-N 3.28Å; G1381-G1383 PolarHBondContact O-N 2.96Å; G1383-E1385 VanDerWaalsContact C-N 3.27Å; G1383-E1385 PolarHBondContact O-N 2.89Å; G1383-R1408 VanDerWaalsContact O-CZ 3.24Å; G1383-R1408 PolarHBondContact O-NH1 2.98Å; G1383-R1408 PolarHBondContact O-NH2 3.16Å; G1383-R1408 VanDerWaalsContact O-NH2 3.08Å; G1383-M1461 WeakPolarHBondContact O-CE 3.29Å |
| 1384 | Y | 85.9 | Confident | 85.9 | Confident | 59.4 Ų | 59.4 | 52.5 Ų | 52.5 | 23% | 0.233 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 16.5 | -177.7 | -70.1 | -86.3 | 0 | 0 | 0 | 113 | G1375 R1380 G1381 L1382 R1408 F1459 M1461 | G1375-Y1384 PolarHBondContact O-N 3.07Å; R1380-Y1384 HydrophobicContact CB-CD1 3.98Å; R1380-Y1384 HydrophobicContact CB-CD2 3.6Å; R1380-Y1384 VanDerWaalsContact CB-CD2 3.46Å; R1380-Y1384 HydrophobicContact CB-CE1 4.26Å; R1380-Y1384 HydrophobicContact CB-CE2 4.02Å; R1380-Y1384 HydrophobicContact CB-CG 3.56Å; R1380-Y1384 HydrophobicContact CG-CD1 4.18Å; R1380-Y1384 HydrophobicContact CG-CE1 4.35Å; R1380-Y1384 HydrophobicContact CG-CG 4.42Å; R1380-Y1384 VanDerWaalsContact O-CD2 3.29Å; R1380-Y1384 WeakPolarHBondContact O-CD2 3.36Å; R1380-Y1384 WeakPolarHBondContact O-CE2 3.27Å; G1381-Y1384 PolarHBondContact O-N 2.8Å; L1382-Y1384 WeakPolarHBondContact O-CD2 3.18Å; Y1384-R1408 HydrophobicContact CE1-CG 4.19Å; Y1384-R1408 HydrophobicContact CE2-CG 4.16Å; Y1384-R1408 VanDerWaalsContact CZ-CD 3.44Å; Y1384-R1408 WeakPolarHBondContact OH-CD 3.31Å; Y1384-R1408 WeakPolarHBondContact OH-CG 3.49Å; Y1384-F1459 AromaticContact CD1-CD1 3.63Å; Y1384-F1459 HydrophobicContact CD1-CD1 3.86Å; Y1384-F1459 AromaticContact CD1-CD2 3.92Å; Y1384-F1459 HydrophobicContact CD1-CD2 4.21Å; Y1384-F1459 AromaticContact CD1-CE1 3.67Å; Y1384-F1459 HydrophobicContact CD1-CE1 3.93Å; Y1384-F1459 AromaticContact CD1-CE2 3.71Å; Y1384-F1459 HydrophobicContact CD1-CE2 3.71Å; Y1384-F1459 VanDerWaalsContact CD1-CE2 3.49Å; Y1384-F1459 HydrophobicContact CD1-CG 4.42Å; Y1384-F1459 AromaticContact CD1-CZ 2.95Å; Y1384-F1459 HydrophobicContact CD1-CZ 3.68Å; Y1384-F1459 HydrophobicContact CD2-CZ 4.16Å; Y1384-F1459 AromaticContact CE1-CD1 3.7Å; Y1384-F1459 HydrophobicContact CE1-CD1 3.7Å; Y1384-F1459 HydrophobicContact CE1-CD2 4.33Å; Y1384-F1459 AromaticContact CE1-CE1 3.58Å; Y1384-F1459 HydrophobicContact CE1-CE1 3.75Å; Y1384-F1459 AromaticContact CE1-CE2 3.06Å; Y1384-F1459 HydrophobicContact CE1-CE2 3.99Å; Y1384-F1459 HydrophobicContact CE1-CG 4.26Å; Y1384-F1459 AromaticContact CE1-CZ 3.01Å; Y1384-F1459 HydrophobicContact CE1-CZ 3.97Å; Y1384-F1459 HydrophobicContact CE2-CZ 4.16Å; Y1384-F1459 HydrophobicContact CG-CE1 4.1Å; Y1384-F1459 HydrophobicContact CG-CE2 4.48Å; Y1384-F1459 AromaticContact CG-CZ 3.6Å; Y1384-F1459 HydrophobicContact CG-CZ 3.6Å; Y1384-F1459 AromaticContact CZ-CE2 3.74Å; Y1384-F1459 AromaticContact CZ-CZ 3.62Å; Y1384-M1461 WeakPolarHBondContact O-CG 3.32Å |
| 1385 | E | 87.9 | Confident | 86 | Confident | 42.8 Ų | 42.8 | 50.5 Ų | 50.5 | 20% | 0.2 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 151.2 | 172.9 | -170.6 | 171.9 | -153.1 | 0 | 0 | 110.5 | D1373 G1375 D1377 G1383 K1389 M1461 | D1373-E1385 CarbonylContact C-O 3.57Å; G1375-E1385 WeakPolarHBondContact CA-O 3.39Å; G1375-E1385 PolarHBondContact N-O 2.99Å; G1375-E1385 PolarHBondContact O-N 2.84Å; D1377-E1385 HydrophobicContact CB-CB 4.47Å; G1383-E1385 VanDerWaalsContact C-N 3.27Å; G1383-E1385 PolarHBondContact O-N 2.89Å; E1385-K1389 HydrophobicContact CG-CB 4.41Å; E1385-K1389 HydrophobicContact CG-CD 4.07Å; E1385-K1389 HydrophobicContact CG-CG 4.21Å; E1385-K1389 VanDerWaalsContact OE1-CD 3.23Å; E1385-K1389 WeakPolarHBondContact OE1-CD 3.3Å; E1385-K1389 VanDerWaalsContact OE1-CE 3.29Å; E1385-K1389 WeakPolarHBondContact OE1-CE 3.41Å; E1385-K1389 IonicContact OE1-NZ 3.41Å; E1385-K1389 PolarHBondContact OE1-NZ 3.19Å; E1385-K1389 WeakPolarHBondContact OE2-CE 3.39Å; E1385-K1389 IonicContact OE2-NZ 2.67Å; E1385-K1389 PolarHBondContact OE2-NZ 2.94Å; E1385-M1461 VanDerWaalsContact CA-CE 3.46Å; E1385-M1461 PolarHBondContact N-SD 3.12Å; E1385-M1461 VanDerWaalsContact N-SD 3.43Å; E1385-M1461 WeakPolarHBondContact O-CE 3.45Å |
| 1386 | W | 92.1 | Very high | 86.1 | Confident | 0.2 Ų | 0.2 | 50.8 Ų | 50.8 | 0% | 0.001 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 140.7 | 174.9 | -67.2 | 119.3 | 0 | 0 | 0 | 111.1 | I1371 L1372 D1373 P1388 K1389 W1403 L1412 I1414 Y1453 S1455 M1461 | I1371-W1386 HydrophobicContact CG2-CB 3.88Å; I1371-W1386 HydrophobicContact CG2-CD2 4.16Å; I1371-W1386 HydrophobicContact CG2-CE3 3.86Å; I1371-W1386 HydrophobicContact CG2-CG 4.19Å; L1372-W1386 CarbonylContact O-C 3.53Å; L1372-W1386 WeakPolarHBondContact O-CA 3.3Å; D1373-W1386 HydrophobicContact CB-CE3 4.34Å; D1373-W1386 HydrophobicContact CB-CH2 4.45Å; D1373-W1386 HydrophobicContact CB-CZ3 3.89Å; W1386-P1388 CarbonylContact O-C 3.48Å; W1386-P1388 VanDerWaalsContact O-C 3.25Å; W1386-K1389 HydrophobicContact CB-CB 4.42Å; W1386-K1389 WeakPolarHBondContact O-CA 3.29Å; W1386-K1389 WeakPolarHBondContact O-CB 3.48Å; W1386-K1389 WeakPolarHBondContact O-CG 3Å; W1386-K1389 PolarHBondContact O-N 2.93Å; W1386-K1389 VanDerWaalsContact O-N 3.15Å; W1386-W1403 HydrophobicContact CH2-CB 4.26Å; W1386-W1403 HydrophobicContact CH2-CE3 4.37Å; W1386-W1403 HydrophobicContact CZ3-CB 4.33Å; W1386-L1412 HydrophobicContact CH2-CD1 4.28Å; W1386-I1414 HydrophobicContact CH2-CD1 3.61Å; W1386-I1414 HydrophobicContact CH2-CG1 4.47Å; W1386-I1414 HydrophobicContact CZ2-CD1 3.25Å; W1386-I1414 HydrophobicContact CZ2-CG1 4.41Å; W1386-I1414 HydrophobicContact CZ3-CD1 4.42Å; W1386-Y1453 AromaticContact CD1-CE2 3.58Å; W1386-Y1453 HydrophobicContact CD2-CE2 4.4Å; W1386-Y1453 AromaticContact CG-CE2 3.99Å; W1386-Y1453 HydrophobicContact CG-CE2 4.08Å; W1386-Y1453 AromaticContact NE1-CE2 3.63Å; W1386-S1455 VanDerWaalsContact CZ2-CB 3.49Å; W1386-M1461 HydrophobicContact CB-CE 4.5Å; W1386-M1461 HydrophobicContact CD2-CB 4.4Å; W1386-M1461 HydrophobicContact CD2-CE 3.74Å; W1386-M1461 VanDerWaalsContact CD2-CE 3.49Å; W1386-M1461 HydrophobicContact CE3-CE 3.96Å; W1386-M1461 HydrophobicContact CG-CB 4.28Å; W1386-M1461 HydrophobicContact CG-CE 4Å; W1386-M1461 HydrophobicContact CH2-CE 4.18Å; W1386-M1461 HydrophobicContact CZ2-CE 3.98Å; W1386-M1461 HydrophobicContact CZ2-SD 4.39Å; W1386-M1461 HydrophobicContact CZ3-CE 4.19Å; W1386-M1461 VanDerWaalsContact NE1-CB 3.31Å; W1386-M1461 PolarHBondContact NE1-O 3.03Å |
| 1387 | Q | 91.1 | Very high | 86.6 | Confident | 100.6 Ų | 100.6 | 45.3 Ų | 45.3 | 47% | 0.47 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 115.7 | 175.4 | -175.8 | 60.4 | 31.9 | 0 | 0 | 110.6 | L1372 | L1372-Q1387 PolarHBondContact N-O 3.11Å; L1372-Q1387 PolarHBondContact O-N 2.79Å |
| 1388 | P | 92.8 | Very high | 87.1 | Confident | 39.2 Ų | 39.2 | 44.5 Ų | 44.5 | 26% | 0.255 | 24% | 0.243 | S | C | . | . | S | Bend | cis | -71 | 150.6 | -10.5 | 32.3 | -35.1 | 0 | 0 | 0 | 112 | W1386 L1391 | W1386-P1388 CarbonylContact O-C 3.48Å; W1386-P1388 VanDerWaalsContact O-C 3.25Å; P1388-L1391 HydrophobicContact CG-CB 4.43Å; P1388-L1391 HydrophobicContact CG-CD1 4Å |
| 1389 | K | 89 | Confident | 88.2 | Confident | 41.4 Ų | 41.4 | 40.8 Ų | 40.8 | 18% | 0.18 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -76.4 | -29.3 | 175.3 | 61 | -165.8 | -175.4 | 177.1 | 0 | 114 | N926 L927 H928 E1385 W1386 G1463 I1464 | N926-K1389 WeakPolarHBondContact O-CD 3.32Å; N926-K1389 WeakPolarHBondContact O-CE 3.31Å; N926-K1389 PolarHBondContact O-NZ 3.17Å; L927-K1389 HydrophobicContact CD2-CB 3.9Å; L927-K1389 HydrophobicContact CD2-CD 4.39Å; L927-K1389 HydrophobicContact CD2-CG 4.23Å; L927-K1389 WeakPolarHBondContact O-CG 3.45Å; H928-K1389 WeakPolarHBondContact O-CE 3.34Å; H928-K1389 PolarHBondContact O-NZ 3.18Å; E1385-K1389 HydrophobicContact CG-CB 4.41Å; E1385-K1389 HydrophobicContact CG-CD 4.07Å; E1385-K1389 HydrophobicContact CG-CG 4.21Å; E1385-K1389 VanDerWaalsContact OE1-CD 3.23Å; E1385-K1389 WeakPolarHBondContact OE1-CD 3.3Å; E1385-K1389 VanDerWaalsContact OE1-CE 3.29Å; E1385-K1389 WeakPolarHBondContact OE1-CE 3.41Å; E1385-K1389 IonicContact OE1-NZ 3.41Å; E1385-K1389 PolarHBondContact OE1-NZ 3.19Å; E1385-K1389 WeakPolarHBondContact OE2-CE 3.39Å; E1385-K1389 IonicContact OE2-NZ 2.67Å; E1385-K1389 PolarHBondContact OE2-NZ 2.94Å; W1386-K1389 HydrophobicContact CB-CB 4.42Å; W1386-K1389 WeakPolarHBondContact O-CA 3.29Å; W1386-K1389 WeakPolarHBondContact O-CB 3.48Å; W1386-K1389 WeakPolarHBondContact O-CG 3Å; W1386-K1389 PolarHBondContact O-N 2.93Å; W1386-K1389 VanDerWaalsContact O-N 3.15Å; K1389-G1463 CarbonylContact O-C 3.51Å; K1389-G1463 WeakPolarHBondContact O-CA 3.3Å; K1389-I1464 PolarHBondContact O-N 2.96Å |
| 1390 | T | 91 | Very high | 89.3 | Confident | 43.6 Ų | 43.6 | 34.9 Ų | 34.9 | 27% | 0.267 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.4 | 176 | -64.4 | 0 | 0 | 0 | 0 | 108.4 | L927 I1464 | L927-T1390 WeakPolarHBondContact O-CB 3.22Å; L927-T1390 PolarHBondContact O-OG1 3.03Å; T1390-I1464 CarbonylContact C-O 3.49Å; T1390-I1464 VanDerWaalsContact CA-O 3.3Å; T1390-I1464 WeakPolarHBondContact CA-O 3.39Å; T1390-I1464 HydrophobicContact CG2-CB 4.2Å; T1390-I1464 HydrophobicContact CG2-CG2 4.28Å |
| 1391 | L | 92.6 | Very high | 90.1 | Very high | 24.2 Ų | 24.2 | 29.1 Ų | 29.1 | 13% | 0.127 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 124.3 | -178 | -174.4 | 73.8 | 0 | 0 | 0 | 109.5 | H1369 I1371 P1388 I1393 V1399 I1464 I1465 E1466 | H1369-L1391 HydrophobicContact CB-CD1 4.45Å; H1369-L1391 HydrophobicContact CB-CD2 3.6Å; I1371-L1391 HydrophobicContact CD1-CD2 4.3Å; I1371-L1391 HydrophobicContact CG1-CD2 4.43Å; P1388-L1391 HydrophobicContact CG-CB 4.43Å; P1388-L1391 HydrophobicContact CG-CD1 4Å; L1391-I1393 HydrophobicContact CD1-CG2 4.43Å; L1391-I1393 HydrophobicContact CD2-CG2 3.48Å; L1391-I1393 VanDerWaalsContact CD2-CG2 3.46Å; L1391-I1393 HydrophobicContact CG-CG2 3.56Å; L1391-V1399 HydrophobicContact CD2-CG1 4.43Å; L1391-V1399 HydrophobicContact CD2-CG2 3.89Å; L1391-I1464 PolarHBondContact N-O 2.84Å; L1391-I1465 CarbonylContact O-C 3.45Å; L1391-I1465 WeakPolarHBondContact O-CA 3.39Å; L1391-E1466 PolarHBondContact O-N 3.19Å |
| 1392 | T | 90.4 | Very high | 90.8 | Very high | 59.2 Ų | 59.2 | 30.7 Ų | 30.7 | 36% | 0.363 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 122.5 | 171 | -55 | 0 | 0 | 0 | 0 | 108.8 | L1339 E1466 K1468 | L1339-T1392 HydrophobicContact CD1-CG2 4.2Å; L1339-T1392 HydrophobicContact CD2-CG2 4.26Å; L1339-T1392 WeakPolarHBondContact CD2-O 3.48Å; T1392-E1466 CarbonylContact C-O 3.56Å; T1392-E1466 VanDerWaalsContact CA-O 3.3Å; T1392-E1466 WeakPolarHBondContact CA-O 3.32Å; T1392-E1466 HydrophobicContact CG2-CB 4.37Å; T1392-E1466 HydrophobicContact CG2-CG 4.41Å; T1392-E1466 WeakPolarHBondContact CG2-OE2 3.41Å; T1392-E1466 PolarHBondContact OG1-OE2 3.11Å; T1392-E1466 VanDerWaalsContact OG1-OE2 3.04Å; T1392-K1468 HydrophobicContact CG2-CD 4.39Å; T1392-K1468 HydrophobicContact CG2-CG 3.9Å |
| 1393 | I | 92 | Very high | 91.2 | Very high | 1.2 Ų | 1.2 | 25.3 Ų | 25.3 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 173.4 | -177.3 | 68 | -179.7 | 0 | 0 | 0 | 110.8 | H1369 L1391 D1397 V1399 F1445 I1465 E1466 V1467 K1468 | H1369-I1393 VanDerWaalsContact CD2-CG2 3.49Å; H1369-I1393 WeakPolarHBondContact CD2-CG2 3.5Å; H1369-I1393 WeakPolarHBondContact NE2-CG2 3.08Å; L1391-I1393 HydrophobicContact CD1-CG2 4.43Å; L1391-I1393 HydrophobicContact CD2-CG2 3.48Å; L1391-I1393 VanDerWaalsContact CD2-CG2 3.46Å; L1391-I1393 HydrophobicContact CG-CG2 3.56Å; I1393-D1397 HydrophobicContact CB-CB 4.01Å; I1393-D1397 WeakPolarHBondContact CB-OD2 3.48Å; I1393-D1397 HydrophobicContact CD1-CB 4.07Å; I1393-D1397 HydrophobicContact CG1-CB 4.34Å; I1393-V1399 HydrophobicContact CD1-CG2 3.77Å; I1393-F1445 HydrophobicContact CD1-CB 3.84Å; I1393-F1445 HydrophobicContact CD1-CD2 3.75Å; I1393-F1445 HydrophobicContact CD1-CE2 4.45Å; I1393-F1445 HydrophobicContact CD1-CG 3.85Å; I1393-I1465 HydrophobicContact CD1-CG2 3.54Å; I1393-I1465 VanDerWaalsContact CD1-CG2 3.48Å; I1393-I1465 HydrophobicContact CG1-CG2 3.93Å; I1393-E1466 PolarHBondContact N-O 3.29Å; I1393-V1467 HydrophobicContact CD1-CG2 4.03Å; I1393-V1467 HydrophobicContact CG1-CB 4.33Å; I1393-V1467 HydrophobicContact CG1-CG1 4.33Å; I1393-V1467 HydrophobicContact CG1-CG2 3.89Å; I1393-K1468 PolarHBondContact O-N 3.07Å |
| 1394 | I | 89.1 | Confident | 91.4 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 152.8 | 171.9 | -11.8 | 178.1 | 0 | 0 | 0 | 109.8 | F1309 L1339 R1343 V1366 G1396 D1397 K1468 F1470 | F1309-I1394 HydrophobicContact CD2-CD1 4.23Å; F1309-I1394 HydrophobicContact CE1-CG2 4.25Å; F1309-I1394 HydrophobicContact CE2-CD1 4.23Å; F1309-I1394 HydrophobicContact CZ-CD1 3.84Å; F1309-I1394 HydrophobicContact CZ-CG2 4.22Å; L1339-I1394 HydrophobicContact CB-CD1 3.57Å; L1339-I1394 HydrophobicContact CB-CG1 3.81Å; L1339-I1394 HydrophobicContact CB-CG2 4.18Å; L1339-I1394 HydrophobicContact CD1-CG1 4.06Å; L1339-I1394 HydrophobicContact CD1-CG2 4.1Å; L1339-I1394 HydrophobicContact CD2-CG2 4.11Å; L1339-I1394 HydrophobicContact CG-CG1 4.31Å; L1339-I1394 HydrophobicContact CG-CG2 4.18Å; R1343-I1394 VanDerWaalsContact NE-CD1 3.33Å; R1343-I1394 VanDerWaalsContact NH2-CG2 3.35Å; V1366-I1394 HydrophobicContact CG1-CD1 4.46Å; I1394-G1396 PolarHBondContact O-N 2.99Å; I1394-D1397 HydrophobicContact CG1-CB 4.22Å; I1394-D1397 WeakPolarHBondContact CG1-OD1 3.32Å; I1394-D1397 WeakPolarHBondContact CG1-OD2 3.32Å; I1394-D1397 PolarHBondContact N-OD2 2.81Å; I1394-D1397 VanDerWaalsContact N-OD2 3.12Å; I1394-D1397 WeakPolarHBondContact O-CB 3.3Å; I1394-D1397 VanDerWaalsContact O-CG 3.27Å; I1394-D1397 PolarHBondContact O-N 3.23Å; I1394-K1468 CarbonylContact C-O 3.49Å; I1394-K1468 VanDerWaalsContact CA-O 3.28Å; I1394-K1468 WeakPolarHBondContact CA-O 3.36Å; I1394-F1470 HydrophobicContact CB-CD2 4.24Å; I1394-F1470 HydrophobicContact CD1-CD2 3.35Å; I1394-F1470 VanDerWaalsContact CD1-CD2 3.45Å; I1394-F1470 HydrophobicContact CD1-CE2 3.66Å; I1394-F1470 HydrophobicContact CD1-CG 4.37Å; I1394-F1470 HydrophobicContact CG1-CD2 4.22Å; I1394-F1470 HydrophobicContact CG2-CD1 3.91Å; I1394-F1470 HydrophobicContact CG2-CD2 4.14Å; I1394-F1470 HydrophobicContact CG2-CE1 4.3Å |
| 1395 | Q | 89.9 | Confident | 90.9 | Very high | 14.4 Ų | 14.4 | 26.4 Ų | 26.4 | 7% | 0.067 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | 136.1 | 169.5 | 147.3 | -175.7 | 17.5 | 0 | 0 | 110.9 | F1309 D1397 F1445 T1446 P1448 V1467 K1468 A1469 F1470 L1617 | F1309-Q1395 HydrophobicContact CE1-CG 4.33Å; F1309-Q1395 HydrophobicContact CE2-CG 4.47Å; F1309-Q1395 VanDerWaalsContact CE2-O 3.27Å; F1309-Q1395 WeakPolarHBondContact CE2-O 3.11Å; F1309-Q1395 HydrophobicContact CZ-CG 3.76Å; Q1395-D1397 VanDerWaalsContact C-N 3.32Å; Q1395-D1397 PolarHBondContact O-N 3.21Å; Q1395-F1445 CarbonylContact C-O 3.48Å; Q1395-F1445 WeakPolarHBondContact CA-O 3.46Å; Q1395-T1446 VanDerWaalsContact CG-O 3.28Å; Q1395-T1446 WeakPolarHBondContact CG-O 3.44Å; Q1395-T1446 PolarHBondContact NE2-O 2.84Å; Q1395-P1448 HydrophobicContact CB-CG 4.31Å; Q1395-P1448 HydrophobicContact CG-CG 4.46Å; Q1395-V1467 HydrophobicContact CB-CG1 4.26Å; Q1395-K1468 WeakPolarHBondContact CB-O 3.32Å; Q1395-K1468 PolarHBondContact N-O 2.99Å; Q1395-A1469 VanDerWaalsContact OE1-CA 3.28Å; Q1395-F1470 HydrophobicContact CB-CD1 4.46Å; Q1395-F1470 HydrophobicContact CB-CD2 4.36Å; Q1395-F1470 HydrophobicContact CB-CE1 4.43Å; Q1395-F1470 HydrophobicContact CB-CE2 4.29Å; Q1395-F1470 HydrophobicContact CB-CG 4.46Å; Q1395-F1470 HydrophobicContact CB-CZ 4.33Å; Q1395-F1470 VanDerWaalsContact CD-N 3.29Å; Q1395-F1470 HydrophobicContact CG-CB 3.82Å; Q1395-F1470 HydrophobicContact CG-CD2 4.41Å; Q1395-F1470 HydrophobicContact CG-CE2 4.1Å; Q1395-F1470 HydrophobicContact CG-CZ 4.32Å; Q1395-F1470 WeakPolarHBondContact O-CD1 3.36Å; Q1395-F1470 WeakPolarHBondContact O-CE1 3.24Å; Q1395-F1470 VanDerWaalsContact O-CZ 3.27Å; Q1395-F1470 WeakPolarHBondContact O-CZ 3.15Å; Q1395-L1617 HydrophobicContact CG-CD2 4.03Å |
| 1396 | G | 88.9 | Confident | 90 | Very high | 9.2 Ų | 9.2 | 28.6 Ų | 28.6 | 10% | 0.095 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | -21.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1366 I1394 F1445 | V1366-G1396 VanDerWaalsContact CB-O 3.32Å; V1366-G1396 WeakPolarHBondContact CB-O 3.36Å; V1366-G1396 VanDerWaalsContact CG1-C 3.44Å; V1366-G1396 WeakPolarHBondContact CG1-O 3.34Å; I1394-G1396 PolarHBondContact O-N 2.99Å; G1396-F1445 PolarHBondContact N-O 3.05Å |
| 1397 | D | 92.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | trans | -62.6 | 151.1 | 178.2 | -75.7 | -7.2 | 0 | 0 | 0 | 112.4 | R1343 V1366 K1367 H1369 I1393 I1394 Q1395 F1445 | R1343-D1397 IonicContact CZ-OD1 3.12Å; R1343-D1397 IonicContact CZ-OD2 3.07Å; R1343-D1397 IonicContact NH1-OD1 3.05Å; R1343-D1397 PolarHBondContact NH1-OD1 2.91Å; R1343-D1397 IonicContact NH1-OD2 3.43Å; R1343-D1397 VanDerWaalsContact NH2-CG 3.31Å; R1343-D1397 IonicContact NH2-OD1 3.45Å; R1343-D1397 PolarHBondContact NH2-OD1 3.04Å; R1343-D1397 VanDerWaalsContact NH2-OD1 3.08Å; R1343-D1397 IonicContact NH2-OD2 3.4Å; R1343-D1397 PolarHBondContact NH2-OD2 3.03Å; V1366-D1397 WeakPolarHBondContact CA-OD1 3.25Å; K1367-D1397 PolarHBondContact N-OD1 2.99Å; K1367-D1397 WeakPolarHBondContact O-CA 3.36Å; K1367-D1397 VanDerWaalsContact O-CB 3.3Å; K1367-D1397 WeakPolarHBondContact O-CB 3.36Å; H1369-D1397 IonicContact CD2-OD2 2.76Å; H1369-D1397 IonicContact CE1-OD2 3.6Å; H1369-D1397 IonicContact NE2-OD2 3.36Å; H1369-D1397 PolarHBondContact NE2-OD2 3.09Å; I1393-D1397 HydrophobicContact CB-CB 4.01Å; I1393-D1397 WeakPolarHBondContact CB-OD2 3.48Å; I1393-D1397 HydrophobicContact CD1-CB 4.07Å; I1393-D1397 HydrophobicContact CG1-CB 4.34Å; I1394-D1397 HydrophobicContact CG1-CB 4.22Å; I1394-D1397 WeakPolarHBondContact CG1-OD1 3.32Å; I1394-D1397 WeakPolarHBondContact CG1-OD2 3.32Å; I1394-D1397 PolarHBondContact N-OD2 2.81Å; I1394-D1397 VanDerWaalsContact N-OD2 3.12Å; I1394-D1397 WeakPolarHBondContact O-CB 3.3Å; I1394-D1397 VanDerWaalsContact O-CG 3.27Å; I1394-D1397 PolarHBondContact O-N 3.23Å; Q1395-D1397 VanDerWaalsContact C-N 3.32Å; Q1395-D1397 PolarHBondContact O-N 3.21Å; D1397-F1445 PolarHBondContact O-N 3.09Å | ||
| 1398 | T | 92.8 | Very high | 87.8 | Confident | 17.2 Ų | 17.2 | 31.1 Ų | 31.1 | 11% | 0.106 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 138.5 | 176.9 | -53.5 | 0 | 0 | 0 | 0 | 109.5 | K1367 T1368 H1369 V1400 R1442 F1443 N1444 | K1367-T1398 PolarHBondContact O-N 3.12Å; T1368-T1398 CarbonylContact C-O 3.48Å; T1368-T1398 WeakPolarHBondContact CA-O 3.33Å; T1368-T1398 HydrophobicContact CG2-CG2 4.29Å; H1369-T1398 PolarHBondContact N-O 2.92Å; T1398-V1400 HydrophobicContact CG2-CG2 4.24Å; T1398-R1442 HydrophobicContact CG2-CG 3.48Å; T1398-R1442 VanDerWaalsContact CG2-CG 3.48Å; T1398-F1443 CarbonylContact C-O 3.45Å; T1398-F1443 WeakPolarHBondContact CA-O 3.44Å; T1398-F1443 WeakPolarHBondContact CG2-O 3.42Å; T1398-N1444 WeakPolarHBondContact CB-OD1 3.32Å; T1398-N1444 VanDerWaalsContact CG2-OD1 3.22Å; T1398-N1444 WeakPolarHBondContact CG2-OD1 3.3Å; T1398-N1444 PolarHBondContact OG1-OD1 3.09Å |
| 1399 | V | 95.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135 | 167.6 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | H1369 I1371 L1391 I1393 W1401 R1442 F1443 F1445 I1465 | H1369-V1399 HydrophobicContact CB-CG2 4.49Å; H1369-V1399 CarbonylContact O-C 3.15Å; H1369-V1399 WeakPolarHBondContact O-CA 3.17Å; I1371-V1399 HydrophobicContact CD1-CG1 3.57Å; I1371-V1399 HydrophobicContact CG1-CG1 3.84Å; L1391-V1399 HydrophobicContact CD2-CG1 4.43Å; L1391-V1399 HydrophobicContact CD2-CG2 3.89Å; I1393-V1399 HydrophobicContact CD1-CG2 3.77Å; V1399-W1401 HydrophobicContact CB-CE3 4.46Å; V1399-W1401 HydrophobicContact CB-CH2 3.98Å; V1399-W1401 HydrophobicContact CB-CZ2 4.36Å; V1399-W1401 HydrophobicContact CB-CZ3 3.98Å; V1399-W1401 HydrophobicContact CG1-CD2 4.04Å; V1399-W1401 HydrophobicContact CG1-CE3 4.05Å; V1399-W1401 HydrophobicContact CG1-CH2 3.94Å; V1399-W1401 HydrophobicContact CG1-CZ2 3.92Å; V1399-W1401 HydrophobicContact CG1-CZ3 3.99Å; V1399-W1401 WeakPolarHBondContact O-CZ3 3.23Å; V1399-R1442 WeakPolarHBondContact O-CA 3.24Å; V1399-F1443 PolarHBondContact N-O 3.03Å; V1399-F1443 PolarHBondContact O-N 3.11Å; V1399-F1445 HydrophobicContact CB-CD2 4.32Å; V1399-F1445 HydrophobicContact CB-CE2 3.83Å; V1399-F1445 HydrophobicContact CG2-CD2 3.82Å; V1399-F1445 HydrophobicContact CG2-CE2 3.65Å; V1399-I1465 HydrophobicContact CB-CD1 4.28Å; V1399-I1465 HydrophobicContact CG1-CD1 4.13Å; V1399-I1465 HydrophobicContact CG2-CD1 4Å; V1399-I1465 HydrophobicContact CG2-CG2 4.5Å |
| 1400 | V | 97.2 | Very high | 86.1 | Confident | 5.4 Ų | 5.4 | 35.2 Ų | 35.2 | 3% | 0.033 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 115.5 | 176.7 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | T1368 H1369 Y1370 I1371 T1398 I1402 V1440 Y1441 R1442 | T1368-V1400 HydrophobicContact CG2-CB 4.44Å; T1368-V1400 HydrophobicContact CG2-CG2 3.55Å; T1368-V1400 VanDerWaalsContact CG2-CG2 3.48Å; H1369-V1400 PolarHBondContact O-N 2.99Å; Y1370-V1400 CarbonylContact C-O 3.51Å; Y1370-V1400 VanDerWaalsContact CA-O 3.31Å; Y1370-V1400 WeakPolarHBondContact CA-O 3.4Å; Y1370-V1400 HydrophobicContact CD1-CB 3.8Å; Y1370-V1400 HydrophobicContact CD1-CG1 4.05Å; Y1370-V1400 HydrophobicContact CD1-CG2 4.48Å; Y1370-V1400 HydrophobicContact CE1-CB 3.94Å; Y1370-V1400 HydrophobicContact CE1-CG1 4.08Å; Y1370-V1400 HydrophobicContact CE1-CG2 4.28Å; I1371-V1400 PolarHBondContact N-O 3.09Å; T1398-V1400 HydrophobicContact CG2-CG2 4.24Å; V1400-I1402 HydrophobicContact CG1-CD1 4.31Å; V1400-I1402 HydrophobicContact CG1-CG1 3.95Å; V1400-V1440 HydrophobicContact CG1-CG1 3.67Å; V1400-Y1441 CarbonylContact C-O 3.47Å; V1400-Y1441 VanDerWaalsContact CA-O 3.25Å; V1400-Y1441 WeakPolarHBondContact CA-O 3.33Å; V1400-R1442 HydrophobicContact CB-CG 4.39Å; V1400-R1442 HydrophobicContact CG1-CG 3.97Å; V1400-R1442 HydrophobicContact CG2-CB 4.23Å; V1400-R1442 HydrophobicContact CG2-CG 3.96Å |
| 1401 | W | 95.7 | Very high | 85.8 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 133 | 171 | -63.7 | -101.9 | 0 | 0 | 0 | 109.2 | I1371 V1399 W1403 I1414 F1430 V1440 Y1441 F1443 F1445 Y1453 I1465 | I1371-W1401 HydrophobicContact CB-CG 4.31Å; I1371-W1401 CarbonylContact O-C 3.52Å; I1371-W1401 VanDerWaalsContact O-CA 3.3Å; I1371-W1401 WeakPolarHBondContact O-CA 3.37Å; V1399-W1401 HydrophobicContact CB-CE3 4.46Å; V1399-W1401 HydrophobicContact CB-CH2 3.98Å; V1399-W1401 HydrophobicContact CB-CZ2 4.36Å; V1399-W1401 HydrophobicContact CB-CZ3 3.98Å; V1399-W1401 HydrophobicContact CG1-CD2 4.04Å; V1399-W1401 HydrophobicContact CG1-CE3 4.05Å; V1399-W1401 HydrophobicContact CG1-CH2 3.94Å; V1399-W1401 HydrophobicContact CG1-CZ2 3.92Å; V1399-W1401 HydrophobicContact CG1-CZ3 3.99Å; V1399-W1401 WeakPolarHBondContact O-CZ3 3.23Å; W1401-W1403 HydrophobicContact CB-CE3 4.33Å; W1401-W1403 HydrophobicContact CB-CZ3 4.19Å; W1401-I1414 HydrophobicContact CB-CD1 4.08Å; W1401-I1414 HydrophobicContact CB-CG1 3.87Å; W1401-I1414 VanDerWaalsContact CD1-CD1 3.44Å; W1401-I1414 HydrophobicContact CD2-CD1 4.3Å; W1401-I1414 HydrophobicContact CD2-CG1 4.32Å; W1401-I1414 HydrophobicContact CD2-CG2 4.14Å; W1401-I1414 HydrophobicContact CE3-CG2 4.35Å; W1401-I1414 HydrophobicContact CG-CD1 3.81Å; W1401-I1414 HydrophobicContact CG-CG1 3.83Å; W1401-I1414 HydrophobicContact CG-CG2 4.43Å; W1401-I1414 HydrophobicContact CH2-CG2 4.36Å; W1401-I1414 HydrophobicContact CZ2-CG2 4.24Å; W1401-F1430 HydrophobicContact CH2-CD2 4.39Å; W1401-F1430 AromaticContact CH2-CE2 3.89Å; W1401-F1430 HydrophobicContact CH2-CE2 3.91Å; W1401-F1430 HydrophobicContact CH2-CZ 4.24Å; W1401-F1430 AromaticContact CZ2-CE2 3.9Å; W1401-F1430 HydrophobicContact CZ2-CE2 4.05Å; W1401-F1430 HydrophobicContact CZ2-CZ 4.32Å; W1401-V1440 CarbonylContact O-C 3.43Å; W1401-V1440 VanDerWaalsContact O-CA 3.3Å; W1401-V1440 WeakPolarHBondContact O-CA 3.38Å; W1401-Y1441 HydrophobicContact CD2-CD1 4.42Å; W1401-Y1441 AromaticContact CE3-CD1 3.67Å; W1401-Y1441 HydrophobicContact CE3-CD1 3.67Å; W1401-Y1441 HydrophobicContact CE3-CE1 4.35Å; W1401-Y1441 HydrophobicContact CE3-CG 4.47Å; W1401-Y1441 AromaticContact CZ3-CD1 3.83Å; W1401-Y1441 HydrophobicContact CZ3-CD1 3.83Å; W1401-Y1441 AromaticContact CZ3-CE1 3.93Å; W1401-Y1441 HydrophobicContact CZ3-CE1 4.08Å; W1401-Y1441 PolarHBondContact N-O 2.98Å; W1401-Y1441 PolarHBondContact O-N 2.98Å; W1401-F1443 HydrophobicContact CH2-CB 4.23Å; W1401-F1443 HydrophobicContact CZ3-CB 3.8Å; W1401-F1445 AromaticContact CH2-CE2 3.86Å; W1401-F1445 HydrophobicContact CH2-CE2 3.86Å; W1401-F1445 AromaticContact CH2-CZ 3.91Å; W1401-F1445 HydrophobicContact CH2-CZ 3.91Å; W1401-F1445 HydrophobicContact CZ2-CZ 4.45Å; W1401-F1445 HydrophobicContact CZ3-CE2 4.41Å; W1401-Y1453 AromaticContact CD1-CE2 3.86Å; W1401-Y1453 HydrophobicContact CZ2-CD1 4.33Å; W1401-Y1453 HydrophobicContact CZ2-CD2 4.48Å; W1401-Y1453 HydrophobicContact CZ2-CE1 4.42Å; W1401-Y1453 HydrophobicContact CZ2-CG 4.37Å; W1401-Y1453 AromaticContact NE1-CD2 3.6Å; W1401-Y1453 AromaticContact NE1-CE1 3.96Å; W1401-Y1453 AromaticContact NE1-CE2 3.15Å; W1401-Y1453 AromaticContact NE1-CZ 3.42Å; W1401-Y1453 VanDerWaalsContact NE1-CZ 3.29Å; W1401-I1465 HydrophobicContact CH2-CD1 3.8Å; W1401-I1465 HydrophobicContact CZ2-CD1 3.36Å |
| 1402 | I | 94.5 | Very high | 85.7 | Confident | 59 Ų | 59 | 33.8 Ų | 33.8 | 30% | 0.303 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.6 | 176.2 | -52.8 | 178.3 | 0 | 0 | 0 | 107.4 | Y1370 I1371 L1372 D1373 V1400 G1439 V1440 | Y1370-I1402 HydrophobicContact CD1-CD1 3.94Å; Y1370-I1402 HydrophobicContact CE1-CD1 4.37Å; I1371-I1402 PolarHBondContact O-N 3.03Å; L1372-I1402 WeakPolarHBondContact CA-O 3.42Å; L1372-I1402 HydrophobicContact CD2-CB 3.78Å; L1372-I1402 HydrophobicContact CD2-CD1 4.29Å; L1372-I1402 HydrophobicContact CD2-CG1 4.33Å; L1372-I1402 HydrophobicContact CD2-CG2 4.47Å; D1373-I1402 PolarHBondContact N-O 2.93Å; V1400-I1402 HydrophobicContact CG1-CD1 4.31Å; V1400-I1402 HydrophobicContact CG1-CG1 3.95Å; I1402-G1439 WeakPolarHBondContact CA-O 3.36Å; I1402-V1440 HydrophobicContact CG1-CG1 4.31Å; I1402-V1440 HydrophobicContact CG1-CG2 4.25Å; I1402-V1440 HydrophobicContact CG2-CG2 4.23Å |
| 1403 | W | 90.9 | Very high | 85.7 | Confident | 6.8 Ų | 6.8 | 32 Ų | 32 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 146.4 | 175.5 | 64.6 | 94.9 | 0 | 0 | 0 | 111.8 | D1373 W1386 W1401 L1412 I1414 V1436 Q1437 N1438 G1439 | D1373-W1403 HydrophobicContact CB-CB 3.95Å; D1373-W1403 WeakPolarHBondContact OD1-CA 3.3Å; D1373-W1403 WeakPolarHBondContact OD2-CA 3.46Å; D1373-W1403 VanDerWaalsContact OD2-CB 3.24Å; D1373-W1403 WeakPolarHBondContact OD2-CB 3.41Å; W1386-W1403 HydrophobicContact CH2-CB 4.26Å; W1386-W1403 HydrophobicContact CH2-CE3 4.37Å; W1386-W1403 HydrophobicContact CZ3-CB 4.33Å; W1401-W1403 HydrophobicContact CB-CE3 4.33Å; W1401-W1403 HydrophobicContact CB-CZ3 4.19Å; W1403-L1412 HydrophobicContact CB-CD1 3.98Å; W1403-L1412 HydrophobicContact CD2-CB 4.42Å; W1403-L1412 HydrophobicContact CG-CB 4.13Å; W1403-L1412 HydrophobicContact CG-CD1 4.12Å; W1403-L1412 VanDerWaalsContact CZ2-O 3.27Å; W1403-L1412 WeakPolarHBondContact CZ2-O 3.26Å; W1403-L1412 PolarHBondContact NE1-O 3.14Å; W1403-I1414 HydrophobicContact CE3-CG1 4.41Å; W1403-I1414 HydrophobicContact CH2-CG1 4.25Å; W1403-I1414 HydrophobicContact CZ3-CD1 4.47Å; W1403-I1414 HydrophobicContact CZ3-CG1 3.85Å; W1403-V1436 HydrophobicContact CZ2-CG2 3.67Å; W1403-V1436 PolarHBondContact NE1-O 2.74Å; W1403-Q1437 VanDerWaalsContact CD1-O 3.23Å; W1403-N1438 WeakPolarHBondContact O-CA 3.26Å; W1403-G1439 VanDerWaalsContact CE2-CA 3.45Å; W1403-G1439 PolarHBondContact N-O 3.15Å; W1403-G1439 VanDerWaalsContact N-O 3.09Å; W1403-G1439 PolarHBondContact O-N 2.91Å; W1403-G1439 VanDerWaalsContact O-N 3.12Å |
| 1404 | N | 87.5 | Confident | 85.8 | Confident | 83 Ų | 83 | 32 Ų | 32 | 44% | 0.444 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 102.2 | 175.9 | -178.4 | -22.7 | 0 | 0 | 0 | 109.5 | D1373 S1406 R1408 N1438 | D1373-N1404 PolarHBondContact OD1-N 3.11Å; D1373-N1404 PolarHBondContact OD2-N 3.03Å; D1373-N1404 VanDerWaalsContact OD2-N 3.1Å; N1404-S1406 VanDerWaalsContact C-N 3.28Å; N1404-S1406 PolarHBondContact O-N 3.11Å; N1404-S1406 WeakPolarHBondContact OD1-CB 3.25Å; N1404-S1406 PolarHBondContact OD1-N 2.94Å; N1404-S1406 VanDerWaalsContact OD1-N 3.12Å; N1404-S1406 PolarHBondContact OD1-OG 3.14Å; N1404-R1408 PolarHBondContact O-NH2 3.2Å; N1404-N1438 VanDerWaalsContact CA-OD1 3.26Å; N1404-N1438 WeakPolarHBondContact CA-OD1 3.39Å; N1404-N1438 WeakPolarHBondContact CB-OD1 3.15Å; N1404-N1438 VanDerWaalsContact CG-OD1 3.25Å; N1404-N1438 PolarHBondContact ND2-OD1 3.16Å; N1404-N1438 PolarHBondContact OD1-OD1 3.06Å; N1404-N1438 VanDerWaalsContact OD1-OD1 3.11Å |
| 1405 | T | 74.2 | Confident | 85.9 | Confident | 2.4 Ų | 2.4 | 31.9 Ų | 31.9 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | trans | -88.4 | 22 | -178.6 | 64 | 0 | 0 | 0 | 0 | 113.4 | T1407 R1408 N1410 L1412 Q1437 N1438 | T1405-T1407 PolarHBondContact O-N 3.13Å; T1405-R1408 HydrophobicContact CG2-CB 4.3Å; T1405-R1408 CarbonylContact O-C 3.52Å; T1405-R1408 WeakPolarHBondContact O-CA 3.42Å; T1405-R1408 WeakPolarHBondContact O-CB 3.31Å; T1405-R1408 PolarHBondContact O-N 3.09Å; T1405-N1410 WeakPolarHBondContact CB-O 3.37Å; T1405-N1410 WeakPolarHBondContact CG2-O 3.41Å; T1405-N1410 PolarHBondContact OG1-O 3.39Å; T1405-L1412 HydrophobicContact CG2-CB 4.44Å; T1405-L1412 HydrophobicContact CG2-CD1 3.63Å; T1405-L1412 VanDerWaalsContact CG2-CD1 3.46Å; T1405-L1412 HydrophobicContact CG2-CG 3.73Å; T1405-Q1437 WeakPolarHBondContact CB-O 3.32Å; T1405-Q1437 VanDerWaalsContact CB-OE1 3.25Å; T1405-Q1437 WeakPolarHBondContact CG2-O 3.29Å; T1405-Q1437 PolarHBondContact N-O 3.07Å; T1405-Q1437 VanDerWaalsContact N-O 3.1Å; T1405-Q1437 VanDerWaalsContact OG1-C 3.28Å; T1405-Q1437 VanDerWaalsContact OG1-CA 3.23Å; T1405-Q1437 WeakPolarHBondContact OG1-CA 3.29Å; T1405-Q1437 WeakPolarHBondContact OG1-CB 3.28Å; T1405-Q1437 PolarHBondContact OG1-O 3.14Å; T1405-Q1437 VanDerWaalsContact OG1-O 3.14Å; T1405-Q1437 PolarHBondContact OG1-OE1 3.21Å; T1405-N1438 PolarHBondContact N-OD1 2.74Å | ||
| 1406 | S | 70.4 | Confident | 86.1 | Confident | 87.8 Ų | 87.8 | 32.5 Ų | 32.5 | 61% | 0.614 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -18.8 | -179.8 | -20 | 0 | 0 | 0 | 0 | 115 | N1404 R1408 N1438 | N1404-S1406 VanDerWaalsContact C-N 3.28Å; N1404-S1406 PolarHBondContact O-N 3.11Å; N1404-S1406 WeakPolarHBondContact OD1-CB 3.25Å; N1404-S1406 PolarHBondContact OD1-N 2.94Å; N1404-S1406 VanDerWaalsContact OD1-N 3.12Å; N1404-S1406 PolarHBondContact OD1-OG 3.14Å; S1406-R1408 VanDerWaalsContact C-N 3.34Å; S1406-N1438 PolarHBondContact OG-ND2 3.02Å; S1406-N1438 PolarHBondContact OG-OD1 3.34Å |
| 1407 | T | 65.6 | Low | 86.2 | Confident | 124.2 Ų | 124.2 | 32.3 Ų | 32.3 | 76% | 0.762 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 0.2 | 174.5 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | T1405 | T1405-T1407 PolarHBondContact O-N 3.13Š|
| 1408 | R | 69.8 | Low | 85.8 | Confident | 29 Ų | 29 | 36.1 Ų | 36.1 | 11% | 0.109 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -131.8 | 157.3 | -173 | -59.6 | -179.1 | -115.5 | 153.8 | 5.2 | 110.5 | D1373 L1382 G1383 Y1384 N1404 T1405 S1406 L1412 Q1437 | D1373-R1408 IonicContact OD2-CZ 3.45Å; D1373-R1408 IonicContact OD2-NH1 3.73Å; D1373-R1408 PolarHBondContact OD2-NH1 2.75Å; D1373-R1408 IonicContact OD2-NH2 2.94Å; D1373-R1408 PolarHBondContact OD2-NH2 2.81Å; L1382-R1408 PolarHBondContact O-NH2 2.8Å; G1383-R1408 VanDerWaalsContact O-CZ 3.24Å; G1383-R1408 PolarHBondContact O-NH1 2.98Å; G1383-R1408 PolarHBondContact O-NH2 3.16Å; G1383-R1408 VanDerWaalsContact O-NH2 3.08Å; Y1384-R1408 HydrophobicContact CE1-CG 4.19Å; Y1384-R1408 HydrophobicContact CE2-CG 4.16Å; Y1384-R1408 VanDerWaalsContact CZ-CD 3.44Å; Y1384-R1408 WeakPolarHBondContact OH-CD 3.31Å; Y1384-R1408 WeakPolarHBondContact OH-CG 3.49Å; N1404-R1408 PolarHBondContact O-NH2 3.2Å; T1405-R1408 HydrophobicContact CG2-CB 4.3Å; T1405-R1408 CarbonylContact O-C 3.52Å; T1405-R1408 WeakPolarHBondContact O-CA 3.42Å; T1405-R1408 WeakPolarHBondContact O-CB 3.31Å; T1405-R1408 PolarHBondContact O-N 3.09Å; S1406-R1408 VanDerWaalsContact C-N 3.34Å; R1408-L1412 VanDerWaalsContact NH1-CD1 3.35Å; R1408-Q1437 PolarHBondContact O-OE1 3.18Å |
| 1409 | V | 69.9 | Low | 85.4 | Confident | 125.4 Ų | 125.4 | 35.8 Ų | 35.8 | 76% | 0.76 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -87.5 | -26.3 | -176.4 | -154.4 | 0 | 0 | 0 | 0 | 112.4 | Q1437 | V1409-Q1437 PolarHBondContact O-NE2 3.02Š|
| 1410 | N | 76.6 | Confident | 84.9 | Confident | 42.6 Ų | 42.6 | 37.8 Ų | 37.8 | 23% | 0.228 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -100.7 | 132.5 | -164.7 | -45.9 | 4.8 | 0 | 0 | 0 | 111.4 | T1405 E1458 F1459 | T1405-N1410 WeakPolarHBondContact CB-O 3.37Å; T1405-N1410 WeakPolarHBondContact CG2-O 3.41Å; T1405-N1410 PolarHBondContact OG1-O 3.39Å; N1410-E1458 HydrophobicContact CB-CB 4.34Å; N1410-E1458 VanDerWaalsContact CB-OE2 3.25Å; N1410-E1458 WeakPolarHBondContact CB-OE2 3.39Å; N1410-E1458 VanDerWaalsContact CG-OE2 3.23Å; N1410-E1458 WeakPolarHBondContact ND2-CB 3.38Å; N1410-E1458 PolarHBondContact ND2-O 2.96Å; N1410-E1458 PolarHBondContact ND2-OE2 3.34Å; N1410-F1459 HydrophobicContact CB-CB 4.27Å; N1410-F1459 HydrophobicContact CB-CD1 3.83Å; N1410-F1459 HydrophobicContact CB-CD2 3.78Å; N1410-F1459 HydrophobicContact CB-CE1 3.59Å; N1410-F1459 HydrophobicContact CB-CE2 3.98Å; N1410-F1459 HydrophobicContact CB-CG 4.23Å; N1410-F1459 WeakPolarHBondContact ND2-CD2 3.4Å; N1410-F1459 VanDerWaalsContact ND2-CE2 3.28Å; N1410-F1459 WeakPolarHBondContact ND2-CE2 3.2Å; N1410-F1459 WeakPolarHBondContact OD1-CE2 3.48Å |
| 1411 | P | 86.3 | Confident | 84.2 | Confident | 36.6 Ų | 36.6 | 44.5 Ų | 44.5 | 24% | 0.238 | 26% | 0.256 | C | S | . | . | trans | -72.1 | 154.9 | 177 | 31.1 | -35.3 | 0 | 0 | 0 | 112.2 | P1435 V1436 Q1437 S1456 E1458 | P1411-P1435 HydrophobicContact CB-CB 3.77Å; P1411-P1435 HydrophobicContact CG-CB 3.76Å; P1411-V1436 WeakPolarHBondContact CA-O 3.41Å; P1411-V1436 VanDerWaalsContact CB-C 3.44Å; P1411-Q1437 HydrophobicContact CB-CG 4.48Å; P1411-S1456 WeakPolarHBondContact O-CB 3.46Å; P1411-S1456 PolarHBondContact O-OG 3.13Å; P1411-E1458 WeakPolarHBondContact CD-OE2 3.45Å | ||
| 1412 | L | 89.7 | Confident | 83.6 | Confident | 0.8 Ų | 0.8 | 48 Ų | 48 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -115.6 | 154.5 | 176.3 | -59 | 175 | 0 | 0 | 0 | 111 | D1373 W1386 W1403 T1405 R1408 P1435 V1436 S1455 F1459 M1461 | D1373-L1412 HydrophobicContact CB-CD1 4.43Å; W1386-L1412 HydrophobicContact CH2-CD1 4.28Å; W1403-L1412 HydrophobicContact CB-CD1 3.98Å; W1403-L1412 HydrophobicContact CD2-CB 4.42Å; W1403-L1412 HydrophobicContact CG-CB 4.13Å; W1403-L1412 HydrophobicContact CG-CD1 4.12Å; W1403-L1412 VanDerWaalsContact CZ2-O 3.27Å; W1403-L1412 WeakPolarHBondContact CZ2-O 3.26Å; W1403-L1412 PolarHBondContact NE1-O 3.14Å; T1405-L1412 HydrophobicContact CG2-CB 4.44Å; T1405-L1412 HydrophobicContact CG2-CD1 3.63Å; T1405-L1412 VanDerWaalsContact CG2-CD1 3.46Å; T1405-L1412 HydrophobicContact CG2-CG 3.73Å; R1408-L1412 VanDerWaalsContact NH1-CD1 3.35Å; L1412-P1435 CarbonylContact O-C 3.49Å; L1412-P1435 VanDerWaalsContact O-CA 3.3Å; L1412-P1435 WeakPolarHBondContact O-CA 3.44Å; L1412-V1436 PolarHBondContact N-O 3.14Å; L1412-V1436 PolarHBondContact O-N 2.88Å; L1412-V1436 VanDerWaalsContact O-O 3.1Å; L1412-S1455 CarbonylContact C-O 3.5Å; L1412-S1455 WeakPolarHBondContact CA-O 3.4Å; L1412-F1459 HydrophobicContact CD1-CZ 4.47Å; L1412-F1459 HydrophobicContact CD2-CB 4.15Å; L1412-F1459 HydrophobicContact CD2-CD1 3.74Å; L1412-F1459 HydrophobicContact CD2-CD2 4.49Å; L1412-F1459 HydrophobicContact CD2-CE1 4.07Å; L1412-F1459 HydrophobicContact CD2-CE2 3.58Å; L1412-F1459 HydrophobicContact CD2-CG 4.09Å; L1412-F1459 HydrophobicContact CD2-CZ 3.32Å; L1412-F1459 HydrophobicContact CG-CZ 4.12Å; L1412-M1461 HydrophobicContact CD1-CE 3.57Å; L1412-M1461 HydrophobicContact CD1-SD 4.07Å; L1412-M1461 HydrophobicContact CD2-CE 4.12Å; L1412-M1461 HydrophobicContact CD2-SD 4.38Å; L1412-M1461 HydrophobicContact CG-CE 4.49Å |
| 1413 | M | 91.1 | Very high | 82.9 | Confident | 23 Ų | 23 | 47.1 Ų | 47.1 | 11% | 0.113 | 27% | 0.27 | C | S | . | . | trans | -131 | 176.9 | 165.7 | 64.4 | -178.4 | -151.8 | 0 | 0 | 108.4 | A1415 P1425 H1431 S1432 P1435 S1455 | M1413-A1415 HydrophobicContact CE-CB 4.17Å; M1413-P1425 HydrophobicContact CE-CG 3.97Å; M1413-H1431 PolarHBondContact SD-CE1 3.33Å; M1413-H1431 VanDerWaalsContact SD-CE1 3.57Å; M1413-S1432 WeakPolarHBondContact CA-OG 3.34Å; M1413-S1432 WeakPolarHBondContact CB-OG 3.28Å; M1413-P1435 HydrophobicContact CB-CB 4.43Å; M1413-P1435 HydrophobicContact CB-CG 4.22Å; M1413-P1435 HydrophobicContact CG-CG 4.15Å; M1413-P1435 HydrophobicContact SD-CG 3.88Å; M1413-S1455 CarbonylContact C-O 3.51Å; M1413-S1455 VanDerWaalsContact C-O 3.29Å; M1413-S1455 WeakPolarHBondContact CG-O 3.39Å; M1413-S1455 PolarHBondContact N-O 2.96Å; M1413-S1455 CarbonylContact O-C 3.43Å; M1413-S1455 VanDerWaalsContact O-C 3.28Å; M1413-S1455 VanDerWaalsContact O-CA 3.26Å; M1413-S1455 WeakPolarHBondContact O-CA 3.37Å; M1413-S1455 WeakPolarHBondContact O-CB 3.41Å | ||
| 1414 | I | 92.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -124.7 | 129.6 | 167.4 | -61.1 | -65.3 | 0 | 0 | 0 | 107.5 | W1386 W1401 W1403 F1430 H1431 S1432 Y1441 Y1453 | W1386-I1414 HydrophobicContact CH2-CD1 3.61Å; W1386-I1414 HydrophobicContact CH2-CG1 4.47Å; W1386-I1414 HydrophobicContact CZ2-CD1 3.25Å; W1386-I1414 HydrophobicContact CZ2-CG1 4.41Å; W1386-I1414 HydrophobicContact CZ3-CD1 4.42Å; W1401-I1414 HydrophobicContact CB-CD1 4.08Å; W1401-I1414 HydrophobicContact CB-CG1 3.87Å; W1401-I1414 VanDerWaalsContact CD1-CD1 3.44Å; W1401-I1414 HydrophobicContact CD2-CD1 4.3Å; W1401-I1414 HydrophobicContact CD2-CG1 4.32Å; W1401-I1414 HydrophobicContact CD2-CG2 4.14Å; W1401-I1414 HydrophobicContact CE3-CG2 4.35Å; W1401-I1414 HydrophobicContact CG-CD1 3.81Å; W1401-I1414 HydrophobicContact CG-CG1 3.83Å; W1401-I1414 HydrophobicContact CG-CG2 4.43Å; W1401-I1414 HydrophobicContact CH2-CG2 4.36Å; W1401-I1414 HydrophobicContact CZ2-CG2 4.24Å; W1403-I1414 HydrophobicContact CE3-CG1 4.41Å; W1403-I1414 HydrophobicContact CH2-CG1 4.25Å; W1403-I1414 HydrophobicContact CZ3-CD1 4.47Å; W1403-I1414 HydrophobicContact CZ3-CG1 3.85Å; I1414-F1430 HydrophobicContact CG2-CD2 4.24Å; I1414-F1430 HydrophobicContact CG2-CE2 3.89Å; I1414-H1431 CarbonylContact O-C 3.53Å; I1414-H1431 VanDerWaalsContact O-CA 3.26Å; I1414-H1431 WeakPolarHBondContact O-CA 3.42Å; I1414-S1432 PolarHBondContact N-OG 3.18Å; I1414-S1432 PolarHBondContact O-N 2.98Å; I1414-S1432 PolarHBondContact O-OG 2.93Å; I1414-Y1441 HydrophobicContact CB-CD1 3.96Å; I1414-Y1441 HydrophobicContact CB-CE1 4.45Å; I1414-Y1441 HydrophobicContact CB-CG 4.44Å; I1414-Y1441 HydrophobicContact CG1-CD1 4.34Å; I1414-Y1441 HydrophobicContact CG2-CD1 3.95Å; I1414-Y1441 HydrophobicContact CG2-CE1 4.21Å; I1414-Y1453 HydrophobicContact CD1-CD2 4.38Å; I1414-Y1453 HydrophobicContact CD1-CE2 4.46Å; I1414-Y1453 HydrophobicContact CG2-CD2 4.38Å | ||
| 1415 | A | 91.9 | Very high | 82.4 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 139.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | M1413 P1425 F1430 H1431 Y1453 A1454 | M1413-A1415 HydrophobicContact CE-CB 4.17Å; A1415-P1425 HydrophobicContact CB-CB 3.88Å; A1415-P1425 HydrophobicContact CB-CG 4.05Å; A1415-F1430 CarbonylContact C-O 3.6Å; A1415-F1430 WeakPolarHBondContact CA-O 3.35Å; A1415-H1431 HydrophobicContact CB-CB 4.41Å; A1415-H1431 VanDerWaalsContact CB-CD2 3.46Å; A1415-H1431 WeakPolarHBondContact CB-CD2 3.45Å; A1415-Y1453 CarbonylContact O-C 3.53Å; A1415-Y1453 VanDerWaalsContact O-CA 3.23Å; A1415-Y1453 WeakPolarHBondContact O-CA 3.31Å; A1415-Y1453 WeakPolarHBondContact O-CB 3.34Å; A1415-A1454 PolarHBondContact N-O 2.99Å; A1415-A1454 VanDerWaalsContact N-O 3.1Å; A1415-A1454 PolarHBondContact O-N 3.07Å |
| 1416 | E | 92.8 | Very high | 82.8 | Confident | 27.4 Ų | 27.4 | 50.2 Ų | 50.2 | 13% | 0.128 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 138.9 | 166.4 | -171.3 | 178.6 | 170.8 | 0 | 0 | 110.3 | P1425 S1426 G1429 F1430 Y1451 Y1452 T1622 | E1416-P1425 CarbonylContact O-C 3.45Å; E1416-P1425 WeakPolarHBondContact O-CA 3.36Å; E1416-S1426 WeakPolarHBondContact O-CB 3.28Å; E1416-S1426 PolarHBondContact O-N 3.06Å; E1416-S1426 PolarHBondContact O-OG 2.73Å; E1416-S1426 VanDerWaalsContact O-OG 3.1Å; E1416-G1429 WeakPolarHBondContact OE2-CA 3.24Å; E1416-F1430 HydrophobicContact CB-CD1 3.75Å; E1416-F1430 HydrophobicContact CB-CD2 4.15Å; E1416-F1430 HydrophobicContact CB-CE1 3.7Å; E1416-F1430 HydrophobicContact CB-CE2 4.11Å; E1416-F1430 HydrophobicContact CB-CG 3.98Å; E1416-F1430 HydrophobicContact CB-CZ 3.9Å; E1416-F1430 HydrophobicContact CG-CD1 4.11Å; E1416-F1430 HydrophobicContact CG-CE1 3.8Å; E1416-F1430 HydrophobicContact CG-CZ 4.26Å; E1416-F1430 PolarHBondContact N-O 3.02Å; E1416-F1430 WeakPolarHBondContact OE2-CD1 3.41Å; E1416-F1430 PolarHBondContact OE2-N 3.12Å; E1416-F1430 VanDerWaalsContact OE2-N 3.15Å; E1416-Y1451 WeakPolarHBondContact OE1-CD1 3.26Å; E1416-Y1452 WeakPolarHBondContact CA-O 3.35Å; E1416-T1622 WeakPolarHBondContact OE2-CB 3.38Å; E1416-T1622 WeakPolarHBondContact OE2-CG2 3.32Å; E1416-T1622 PolarHBondContact OE2-OG1 3.43Å |
| 1417 | I | 91 | Very high | 83.1 | Confident | 3.8 Ų | 3.8 | 56 Ų | 56 | 2% | 0.019 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 153.1 | 178 | 62.4 | 177.8 | 0 | 0 | 0 | 110 | G1419 L1423 T1424 S1426 Y1452 A1454 T1462 | I1417-G1419 VanDerWaalsContact C-N 3.28Å; I1417-G1419 WeakPolarHBondContact CD1-O 3.34Å; I1417-G1419 WeakPolarHBondContact CG1-O 3.13Å; I1417-G1419 PolarHBondContact O-N 2.72Å; I1417-L1423 HydrophobicContact CD1-CB 4.39Å; I1417-L1423 HydrophobicContact CD1-CD2 3.69Å; I1417-L1423 WeakPolarHBondContact CG2-O 3.2Å; I1417-T1424 WeakPolarHBondContact CG2-O 3.3Å; I1417-S1426 WeakPolarHBondContact CA-OG 3.4Å; I1417-Y1452 VanDerWaalsContact CG1-CB 3.49Å; I1417-Y1452 PolarHBondContact N-O 3.23Å; I1417-A1454 HydrophobicContact CD1-CB 4.13Å; I1417-A1454 HydrophobicContact CG2-CB 3.82Å; I1417-T1462 HydrophobicContact CD1-CG2 4.45Å |
| 1418 | S | 85 | Confident | 83.6 | Confident | 81 Ų | 81 | 53.8 Ų | 53.8 | 57% | 0.566 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -65.2 | -27.7 | -176.6 | 62.9 | 0 | 0 | 0 | 0 | 113.3 | D1422 S1426 | S1418-D1422 VanDerWaalsContact OG-CB 3.28Å; S1418-D1422 WeakPolarHBondContact OG-CB 3.18Å; S1418-D1422 PolarHBondContact OG-O 3.11Å; S1418-D1422 PolarHBondContact OG-OD2 2.95Å; S1418-S1426 PolarHBondContact N-OG 2.92Å |
| 1419 | G | 85.3 | Confident | 84.3 | Confident | 12.4 Ų | 12.4 | 52.9 Ų | 52.9 | 13% | 0.128 | 30% | 0.302 | C | S | . | . | trans | 178.5 | -176.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I1417 E1421 D1422 L1423 | I1417-G1419 VanDerWaalsContact C-N 3.28Å; I1417-G1419 WeakPolarHBondContact CD1-O 3.34Å; I1417-G1419 WeakPolarHBondContact CG1-O 3.13Å; I1417-G1419 PolarHBondContact O-N 2.72Å; G1419-E1421 PolarHBondContact O-N 3.26Å; G1419-E1421 VanDerWaalsContact O-N 3.13Å; G1419-D1422 PolarHBondContact N-O 3.03Å; G1419-D1422 CarbonylContact O-C 3.54Å; G1419-D1422 PolarHBondContact O-N 2.9Å; G1419-D1422 VanDerWaalsContact O-N 3.17Å; G1419-L1423 WeakPolarHBondContact O-CD2 3.47Å | ||
| 1420 | L | 85.1 | Confident | 85.2 | Confident | 40.8 Ų | 40.8 | 47 Ų | 47 | 21% | 0.214 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -78 | -9 | 177.3 | -62.9 | 174.8 | 0 | 0 | 0 | 113.7 | V920 R923 L924 L927 Y1452 T1462 I1464 | V920-L1420 HydrophobicContact CG1-CB 4.36Å; R923-L1420 PolarHBondContact NE-O 3.02Å; R923-L1420 PolarHBondContact NH2-O 2.84Å; L924-L1420 HydrophobicContact CB-CD1 3.81Å; L924-L1420 HydrophobicContact CD1-CD1 4.45Å; L924-L1420 HydrophobicContact CG-CD1 4.14Å; L927-L1420 HydrophobicContact CD1-CD1 3.73Å; L927-L1420 HydrophobicContact CD1-CD2 3.78Å; L927-L1420 HydrophobicContact CD1-CG 4.42Å; L1420-Y1452 HydrophobicContact CD1-CD1 4.22Å; L1420-Y1452 HydrophobicContact CD1-CE1 4.06Å; L1420-Y1452 HydrophobicContact CD2-CD1 3.98Å; L1420-Y1452 HydrophobicContact CD2-CE1 4.47Å; L1420-Y1452 HydrophobicContact CG-CD1 3.68Å; L1420-Y1452 HydrophobicContact CG-CE1 3.91Å; L1420-Y1452 HydrophobicContact CG-CG 4.44Å; L1420-T1462 HydrophobicContact CD2-CG2 4.39Å; L1420-I1464 HydrophobicContact CD1-CD1 4.1Å; L1420-I1464 HydrophobicContact CD1-CG1 4.47Å |
| 1421 | E | 82.1 | Confident | 85.9 | Confident | 147.2 Ų | 147.2 | 48.5 Ų | 48.5 | 69% | 0.688 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -84.7 | -34.8 | 174 | -66.2 | -177.8 | -165.9 | 0 | 0 | 111.8 | K914 M916 V920 G1419 | K914-E1421 IonicContact NZ-OE2 3.22Å; K914-E1421 PolarHBondContact NZ-OE2 2.96Å; M916-E1421 HydrophobicContact SD-CG 3.79Å; V920-E1421 HydrophobicContact CG1-CG 3.88Å; V920-E1421 HydrophobicContact CG2-CG 4.06Å; G1419-E1421 PolarHBondContact O-N 3.26Å; G1419-E1421 VanDerWaalsContact O-N 3.13Å |
| 1422 | D | 82.3 | Confident | 86.1 | Confident | 72.8 Ų | 72.8 | 48.3 Ų | 48.3 | 39% | 0.389 | 27% | 0.271 | S | S | . | . | trans | -124.6 | 109.2 | 179.6 | 178.1 | 10.2 | 0 | 0 | 0 | 109.8 | S1418 G1419 T1424 | S1418-D1422 VanDerWaalsContact OG-CB 3.28Å; S1418-D1422 WeakPolarHBondContact OG-CB 3.18Å; S1418-D1422 PolarHBondContact OG-O 3.11Å; S1418-D1422 PolarHBondContact OG-OD2 2.95Å; G1419-D1422 PolarHBondContact N-O 3.03Å; G1419-D1422 CarbonylContact O-C 3.54Å; G1419-D1422 PolarHBondContact O-N 2.9Å; G1419-D1422 VanDerWaalsContact O-N 3.17Å; D1422-T1424 VanDerWaalsContact C-N 3.26Å; D1422-T1424 VanDerWaalsContact CG-OG1 3.26Å; D1422-T1424 PolarHBondContact O-N 2.96Å; D1422-T1424 VanDerWaalsContact OD1-CB 3.32Å; D1422-T1424 WeakPolarHBondContact OD1-CB 3.36Å; D1422-T1424 VanDerWaalsContact OD1-CG2 3.24Å; D1422-T1424 WeakPolarHBondContact OD1-CG2 3.39Å; D1422-T1424 PolarHBondContact OD1-N 3.23Å; D1422-T1424 VanDerWaalsContact OD1-N 3.16Å; D1422-T1424 PolarHBondContact OD1-OG1 2.87Å; D1422-T1424 PolarHBondContact OD2-OG1 2.9Å; D1422-T1424 VanDerWaalsContact OD2-OG1 3.08Å | ||
| 1423 | L | 81.4 | Confident | 85.9 | Confident | 40.2 Ų | 40.2 | 49.7 Ų | 49.7 | 21% | 0.21 | 29% | 0.287 | C | S | . | . | trans | -93 | 11.8 | -173.7 | -54.2 | 174.8 | 0 | 0 | 0 | 112.5 | Y785 I1417 G1419 P1425 L1460 T1462 | Y785-L1423 HydrophobicContact CD2-CB 3.94Å; Y785-L1423 HydrophobicContact CD2-CD1 3.68Å; Y785-L1423 HydrophobicContact CD2-CG 4.13Å; Y785-L1423 HydrophobicContact CE2-CB 3.78Å; Y785-L1423 HydrophobicContact CE2-CD1 4.39Å; Y785-L1423 HydrophobicContact CE2-CG 4.41Å; Y785-L1423 HydrophobicContact CG-CD1 3.98Å; I1417-L1423 HydrophobicContact CD1-CB 4.39Å; I1417-L1423 HydrophobicContact CD1-CD2 3.69Å; I1417-L1423 WeakPolarHBondContact CG2-O 3.2Å; G1419-L1423 WeakPolarHBondContact O-CD2 3.47Å; L1423-P1425 WeakPolarHBondContact O-CD 3.36Å; L1423-L1460 HydrophobicContact CB-CD1 4.39Å; L1423-L1460 HydrophobicContact CD1-CD1 3.96Å; L1423-L1460 HydrophobicContact CD1-CD2 3.35Å; L1423-L1460 HydrophobicContact CD1-CG 4.3Å; L1423-L1460 HydrophobicContact CD2-CD1 4.42Å; L1423-L1460 HydrophobicContact CD2-CD2 4.34Å; L1423-L1460 HydrophobicContact CG-CD2 4.36Å; L1423-T1462 HydrophobicContact CD2-CG2 4.11Å | ||
| 1424 | T | 82.5 | Confident | 85.7 | Confident | 66.8 Ų | 66.8 | 56.4 Ų | 56.4 | 41% | 0.41 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -70 | 133.9 | 174.5 | 55.5 | 0 | 0 | 0 | 0 | 110.6 | I1417 D1422 S1426 | I1417-T1424 WeakPolarHBondContact CG2-O 3.3Å; D1422-T1424 VanDerWaalsContact C-N 3.26Å; D1422-T1424 VanDerWaalsContact CG-OG1 3.26Å; D1422-T1424 PolarHBondContact O-N 2.96Å; D1422-T1424 VanDerWaalsContact OD1-CB 3.32Å; D1422-T1424 WeakPolarHBondContact OD1-CB 3.36Å; D1422-T1424 VanDerWaalsContact OD1-CG2 3.24Å; D1422-T1424 WeakPolarHBondContact OD1-CG2 3.39Å; D1422-T1424 PolarHBondContact OD1-N 3.23Å; D1422-T1424 VanDerWaalsContact OD1-N 3.16Å; D1422-T1424 PolarHBondContact OD1-OG1 2.87Å; D1422-T1424 PolarHBondContact OD2-OG1 2.9Å; D1422-T1424 VanDerWaalsContact OD2-OG1 3.08Å; T1424-S1426 PolarHBondContact O-N 2.96Å |
| 1425 | P | 85 | Confident | 85.5 | Confident | 53.2 Ų | 53.2 | 58.7 Ų | 58.7 | 35% | 0.345 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -55 | 132 | 172.1 | -29.3 | 37.5 | 0 | 0 | 0 | 112 | M1413 A1415 E1416 L1423 E1427 | M1413-P1425 HydrophobicContact CE-CG 3.97Å; A1415-P1425 HydrophobicContact CB-CB 3.88Å; A1415-P1425 HydrophobicContact CB-CG 4.05Å; E1416-P1425 CarbonylContact O-C 3.45Å; E1416-P1425 WeakPolarHBondContact O-CA 3.36Å; L1423-P1425 WeakPolarHBondContact O-CD 3.36Å; P1425-E1427 PolarHBondContact O-N 2.82Å |
| 1426 | S | 82.8 | Confident | 85.4 | Confident | 38.2 Ų | 38.2 | 61.7 Ų | 61.7 | 27% | 0.267 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 130.5 | 175.8 | -165.4 | 0 | 0 | 0 | 0 | 110.6 | E1416 I1417 S1418 T1424 S1428 G1429 | E1416-S1426 WeakPolarHBondContact O-CB 3.28Å; E1416-S1426 PolarHBondContact O-N 3.06Å; E1416-S1426 PolarHBondContact O-OG 2.73Å; E1416-S1426 VanDerWaalsContact O-OG 3.1Å; I1417-S1426 WeakPolarHBondContact CA-OG 3.4Å; S1418-S1426 PolarHBondContact N-OG 2.92Å; T1424-S1426 PolarHBondContact O-N 2.96Å; S1426-S1428 PolarHBondContact O-N 2.94Å; S1426-G1429 PolarHBondContact O-N 3.11Å; S1426-G1429 VanDerWaalsContact O-N 3.14Å; S1426-G1429 PolarHBondContact OG-N 3.26Å |
| 1427 | E | 75.8 | Confident | 85 | Confident | 209.6 Ų | 209.6 | 64.5 Ų | 64.5 | 98% | 0.979 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -28.1 | 179.9 | -68.9 | -170.9 | 164.2 | 0 | 0 | 113.3 | P1425 | P1425-E1427 PolarHBondContact O-N 2.82Š|
| 1428 | S | 76.8 | Confident | 84.9 | Confident | 76 Ų | 76 | 68.6 Ų | 68.6 | 53% | 0.531 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 9.8 | -178.6 | 63.7 | 0 | 0 | 0 | 0 | 113.3 | S1426 T1622 N1623 | S1426-S1428 PolarHBondContact O-N 2.94Å; S1428-T1622 CarbonylContact O-C 3.55Å; S1428-T1622 WeakPolarHBondContact O-CB 3.41Å; S1428-T1622 WeakPolarHBondContact O-CG2 3.43Å; S1428-T1622 PolarHBondContact O-OG1 3.16Å; S1428-N1623 PolarHBondContact O-N 3.06Å |
| 1429 | G | 83.9 | Confident | 85 | Confident | 11.2 Ų | 11.2 | 65.5 Ų | 65.5 | 12% | 0.115 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -92.7 | 175 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1416 S1426 H1431 T1622 | E1416-G1429 WeakPolarHBondContact OE2-CA 3.24Å; S1426-G1429 PolarHBondContact O-N 3.11Å; S1426-G1429 VanDerWaalsContact O-N 3.14Å; S1426-G1429 PolarHBondContact OG-N 3.26Å; G1429-H1431 PolarHBondContact O-N 3.17Å; G1429-T1622 CarbonylContact C-O 3.58Å |
| 1430 | F | 89.6 | Confident | 85.4 | Confident | 1.4 Ų | 1.4 | 69.3 Ų | 69.3 | 1% | 0.006 | 39% | 0.387 | C | S | . | . | trans | -69.4 | 137.7 | 175.9 | 62.9 | -102.2 | 0 | 0 | 0 | 111.2 | W1401 I1414 A1415 E1416 Y1441 F1443 F1445 Y1451 Y1453 T1622 | W1401-F1430 HydrophobicContact CH2-CD2 4.39Å; W1401-F1430 AromaticContact CH2-CE2 3.89Å; W1401-F1430 HydrophobicContact CH2-CE2 3.91Å; W1401-F1430 HydrophobicContact CH2-CZ 4.24Å; W1401-F1430 AromaticContact CZ2-CE2 3.9Å; W1401-F1430 HydrophobicContact CZ2-CE2 4.05Å; W1401-F1430 HydrophobicContact CZ2-CZ 4.32Å; I1414-F1430 HydrophobicContact CG2-CD2 4.24Å; I1414-F1430 HydrophobicContact CG2-CE2 3.89Å; A1415-F1430 CarbonylContact C-O 3.6Å; A1415-F1430 WeakPolarHBondContact CA-O 3.35Å; E1416-F1430 HydrophobicContact CB-CD1 3.75Å; E1416-F1430 HydrophobicContact CB-CD2 4.15Å; E1416-F1430 HydrophobicContact CB-CE1 3.7Å; E1416-F1430 HydrophobicContact CB-CE2 4.11Å; E1416-F1430 HydrophobicContact CB-CG 3.98Å; E1416-F1430 HydrophobicContact CB-CZ 3.9Å; E1416-F1430 HydrophobicContact CG-CD1 4.11Å; E1416-F1430 HydrophobicContact CG-CE1 3.8Å; E1416-F1430 HydrophobicContact CG-CZ 4.26Å; E1416-F1430 PolarHBondContact N-O 3.02Å; E1416-F1430 WeakPolarHBondContact OE2-CD1 3.41Å; E1416-F1430 PolarHBondContact OE2-N 3.12Å; E1416-F1430 VanDerWaalsContact OE2-N 3.15Å; F1430-Y1441 HydrophobicContact CB-CE1 4.38Å; F1430-Y1441 VanDerWaalsContact CB-OH 3.3Å; F1430-Y1441 WeakPolarHBondContact CB-OH 3.16Å; F1430-Y1441 AromaticContact CD2-CE1 3.88Å; F1430-Y1441 HydrophobicContact CD2-CE1 3.91Å; F1430-Y1441 HydrophobicContact CG-CE1 4.47Å; F1430-F1443 HydrophobicContact CB-CD1 4.23Å; F1430-F1443 HydrophobicContact CB-CD2 3.52Å; F1430-F1443 VanDerWaalsContact CB-CD2 3.48Å; F1430-F1443 HydrophobicContact CB-CE1 4.24Å; F1430-F1443 HydrophobicContact CB-CE2 3.54Å; F1430-F1443 VanDerWaalsContact CB-CE2 3.49Å; F1430-F1443 HydrophobicContact CB-CG 3.88Å; F1430-F1443 HydrophobicContact CB-CZ 3.92Å; F1430-F1443 AromaticContact CD1-CD1 3.93Å; F1430-F1443 HydrophobicContact CD1-CD1 3.98Å; F1430-F1443 AromaticContact CD1-CE1 3.86Å; F1430-F1443 HydrophobicContact CD1-CE1 3.92Å; F1430-F1443 HydrophobicContact CD1-CG 4.39Å; F1430-F1443 HydrophobicContact CD1-CZ 4.24Å; F1430-F1443 HydrophobicContact CG-CD1 4.21Å; F1430-F1443 HydrophobicContact CG-CD2 4.3Å; F1430-F1443 HydrophobicContact CG-CE1 4.35Å; F1430-F1443 HydrophobicContact CG-CE2 4.42Å; F1430-F1443 HydrophobicContact CG-CG 4.16Å; F1430-F1443 HydrophobicContact CG-CZ 4.45Å; F1430-F1445 HydrophobicContact CD1-CE1 4.36Å; F1430-F1445 HydrophobicContact CD1-CZ 4.35Å; F1430-F1445 AromaticContact CE1-CE1 3.82Å; F1430-F1445 HydrophobicContact CE1-CE1 3.82Å; F1430-F1445 AromaticContact CE1-CZ 3.78Å; F1430-F1445 HydrophobicContact CE1-CZ 3.78Å; F1430-F1445 HydrophobicContact CZ-CE1 4.36Å; F1430-F1445 AromaticContact CZ-CZ 3.85Å; F1430-F1445 HydrophobicContact CZ-CZ 4.07Å; F1430-Y1451 HydrophobicContact CE1-CD1 4.36Å; F1430-Y1451 HydrophobicContact CE1-CG 4.5Å; F1430-Y1453 HydrophobicContact CZ-CG 4.5Å; F1430-T1622 VanDerWaalsContact CA-O 3.3Å; F1430-T1622 WeakPolarHBondContact CA-O 3.05Å; F1430-T1622 HydrophobicContact CD1-CG2 4.18Å; F1430-T1622 PolarHBondContact N-O 2.82Å | ||
| 1431 | H | 90.1 | Very high | 85.8 | Confident | 74.2 Ų | 74.2 | 68.3 Ų | 68.3 | 34% | 0.344 | 38% | 0.38 | S | S | . | . | B | Isolated β-bridge | trans | -150.4 | 128 | -175.9 | -178.5 | -60.6 | 0 | 0 | 0 | 112.4 | M1413 I1414 A1415 G1429 G1433 Y1441 | M1413-H1431 PolarHBondContact SD-CE1 3.33Å; M1413-H1431 VanDerWaalsContact SD-CE1 3.57Å; I1414-H1431 CarbonylContact O-C 3.53Å; I1414-H1431 VanDerWaalsContact O-CA 3.26Å; I1414-H1431 WeakPolarHBondContact O-CA 3.42Å; A1415-H1431 HydrophobicContact CB-CB 4.41Å; A1415-H1431 VanDerWaalsContact CB-CD2 3.46Å; A1415-H1431 WeakPolarHBondContact CB-CD2 3.45Å; G1429-H1431 PolarHBondContact O-N 3.17Å; H1431-G1433 PolarHBondContact CE1-O 2.97Å; H1431-G1433 WeakPolarHBondContact ND1-CA 3.38Å; H1431-G1433 PolarHBondContact ND1-N 3.04Å; H1431-G1433 PolarHBondContact ND1-O 2.98Å; H1431-G1433 PolarHBondContact O-N 2.93Å; H1431-Y1441 PolarHBondContact N-OH 2.86Å; H1431-Y1441 VanDerWaalsContact N-OH 3.13Å; H1431-Y1441 WeakPolarHBondContact O-CE2 3.42Å; H1431-Y1441 PolarHBondContact O-OH 2.7Å |
| 1432 | S | 90.3 | Very high | 86.3 | Confident | 31.6 Ų | 31.6 | 68.4 Ų | 68.4 | 22% | 0.221 | 37% | 0.374 | C | S | . | . | trans | -78.2 | 10.4 | -177.4 | 77.2 | 0 | 0 | 0 | 0 | 115.1 | M1413 I1414 Y1441 | M1413-S1432 WeakPolarHBondContact CA-OG 3.34Å; M1413-S1432 WeakPolarHBondContact CB-OG 3.28Å; I1414-S1432 PolarHBondContact N-OG 3.18Å; I1414-S1432 PolarHBondContact O-N 2.98Å; I1414-S1432 PolarHBondContact O-OG 2.93Å; S1432-Y1441 VanDerWaalsContact CB-CG 3.44Å | ||
| 1433 | G | 87 | Confident | 86.7 | Confident | 31.6 Ų | 31.6 | 65.2 Ų | 65.2 | 33% | 0.326 | 36% | 0.357 | S | S | . | . | trans | 77.7 | -153.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | H1431 | H1431-G1433 PolarHBondContact CE1-O 2.97Å; H1431-G1433 WeakPolarHBondContact ND1-CA 3.38Å; H1431-G1433 PolarHBondContact ND1-N 3.04Å; H1431-G1433 PolarHBondContact ND1-O 2.98Å; H1431-G1433 PolarHBondContact O-N 2.93Å | ||
| 1434 | Q | 86.1 | Confident | 87.1 | Confident | 163 Ų | 163 | 64.4 Ų | 64.4 | 76% | 0.762 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -66.3 | 148.3 | -176.9 | -66 | -62.8 | -43.9 | 0 | 0 | 112.1 | V1436 | Q1434-V1436 PolarHBondContact O-N 2.98Š|
| 1435 | P | 88.6 | Confident | 87.6 | Confident | 47.4 Ų | 47.4 | 61.3 Ų | 61.3 | 31% | 0.308 | 33% | 0.334 | S | S | . | . | trans | -56.9 | 131.7 | 176.4 | -25.5 | 34.3 | 0 | 0 | 0 | 113.4 | P1411 L1412 M1413 | P1411-P1435 HydrophobicContact CB-CB 3.77Å; P1411-P1435 HydrophobicContact CG-CB 3.76Å; L1412-P1435 CarbonylContact O-C 3.49Å; L1412-P1435 VanDerWaalsContact O-CA 3.3Å; L1412-P1435 WeakPolarHBondContact O-CA 3.44Å; M1413-P1435 HydrophobicContact CB-CB 4.43Å; M1413-P1435 HydrophobicContact CB-CG 4.22Å; M1413-P1435 HydrophobicContact CG-CG 4.15Å; M1413-P1435 HydrophobicContact SD-CG 3.88Å | ||
| 1436 | V | 89 | Confident | 87.8 | Confident | 66.4 Ų | 66.4 | 59.2 Ų | 59.2 | 40% | 0.402 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -129.2 | 154.7 | 176.3 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | W1403 P1411 L1412 Q1434 N1438 | W1403-V1436 HydrophobicContact CZ2-CG2 3.67Å; W1403-V1436 PolarHBondContact NE1-O 2.74Å; P1411-V1436 WeakPolarHBondContact CA-O 3.41Å; P1411-V1436 VanDerWaalsContact CB-C 3.44Å; L1412-V1436 PolarHBondContact N-O 3.14Å; L1412-V1436 PolarHBondContact O-N 2.88Å; L1412-V1436 VanDerWaalsContact O-O 3.1Å; Q1434-V1436 PolarHBondContact O-N 2.98Å; V1436-N1438 WeakPolarHBondContact CG2-O 3.38Å |
| 1437 | Q | 86 | Confident | 88.1 | Confident | 85 Ų | 85 | 60.5 Ų | 60.5 | 40% | 0.397 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -68.3 | -45.2 | -179.8 | -70.2 | -106.6 | -23.6 | 0 | 0 | 112.7 | W1403 T1405 R1408 V1409 P1411 | W1403-Q1437 VanDerWaalsContact CD1-O 3.23Å; T1405-Q1437 WeakPolarHBondContact CB-O 3.32Å; T1405-Q1437 VanDerWaalsContact CB-OE1 3.25Å; T1405-Q1437 WeakPolarHBondContact CG2-O 3.29Å; T1405-Q1437 PolarHBondContact N-O 3.07Å; T1405-Q1437 VanDerWaalsContact N-O 3.1Å; T1405-Q1437 VanDerWaalsContact OG1-C 3.28Å; T1405-Q1437 VanDerWaalsContact OG1-CA 3.23Å; T1405-Q1437 WeakPolarHBondContact OG1-CA 3.29Å; T1405-Q1437 WeakPolarHBondContact OG1-CB 3.28Å; T1405-Q1437 PolarHBondContact OG1-O 3.14Å; T1405-Q1437 VanDerWaalsContact OG1-O 3.14Å; T1405-Q1437 PolarHBondContact OG1-OE1 3.21Å; R1408-Q1437 PolarHBondContact O-OE1 3.18Å; V1409-Q1437 PolarHBondContact O-NE2 3.02Å; P1411-Q1437 HydrophobicContact CB-CG 4.48Å |
| 1438 | N | 88 | Confident | 88.8 | Confident | 91 Ų | 91 | 53.4 Ų | 53.4 | 49% | 0.487 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 128.3 | 177.1 | -60.2 | -48 | 0 | 0 | 0 | 107.5 | W1403 N1404 T1405 S1406 V1436 | W1403-N1438 WeakPolarHBondContact O-CA 3.26Å; N1404-N1438 VanDerWaalsContact CA-OD1 3.26Å; N1404-N1438 WeakPolarHBondContact CA-OD1 3.39Å; N1404-N1438 WeakPolarHBondContact CB-OD1 3.15Å; N1404-N1438 VanDerWaalsContact CG-OD1 3.25Å; N1404-N1438 PolarHBondContact ND2-OD1 3.16Å; N1404-N1438 PolarHBondContact OD1-OD1 3.06Å; N1404-N1438 VanDerWaalsContact OD1-OD1 3.11Å; T1405-N1438 PolarHBondContact N-OD1 2.74Å; S1406-N1438 PolarHBondContact OG-ND2 3.02Å; S1406-N1438 PolarHBondContact OG-OD1 3.34Å; V1436-N1438 WeakPolarHBondContact CG2-O 3.38Å |
| 1439 | G | 87.9 | Confident | 89.5 | Confident | 15 Ų | 15 | 51.2 Ų | 51.2 | 16% | 0.155 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 155.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1402 W1403 | I1402-G1439 WeakPolarHBondContact CA-O 3.36Å; W1403-G1439 VanDerWaalsContact CE2-CA 3.45Å; W1403-G1439 PolarHBondContact N-O 3.15Å; W1403-G1439 VanDerWaalsContact N-O 3.09Å; W1403-G1439 PolarHBondContact O-N 2.91Å; W1403-G1439 VanDerWaalsContact O-N 3.12Å |
| 1440 | V | 93.1 | Very high | 89.9 | Confident | 93.2 Ų | 93.2 | 53.8 Ų | 53.8 | 57% | 0.565 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 123.6 | 171.4 | 179.3 | 0 | 0 | 0 | 0 | 106.7 | V1400 W1401 I1402 R1442 | V1400-V1440 HydrophobicContact CG1-CG1 3.67Å; W1401-V1440 CarbonylContact O-C 3.43Å; W1401-V1440 VanDerWaalsContact O-CA 3.3Å; W1401-V1440 WeakPolarHBondContact O-CA 3.38Å; I1402-V1440 HydrophobicContact CG1-CG1 4.31Å; I1402-V1440 HydrophobicContact CG1-CG2 4.25Å; I1402-V1440 HydrophobicContact CG2-CG2 4.23Å; V1440-R1442 HydrophobicContact CG1-CG 4.36Å |
| 1441 | Y | 93.5 | Very high | 90 | Very high | 19.8 Ų | 19.8 | 54.8 Ų | 54.8 | 8% | 0.078 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 140.8 | 175.6 | -177.1 | -117.5 | 0 | 0 | 0 | 109.7 | V1400 W1401 I1414 F1430 H1431 S1432 F1443 E1624 | V1400-Y1441 CarbonylContact C-O 3.47Å; V1400-Y1441 VanDerWaalsContact CA-O 3.25Å; V1400-Y1441 WeakPolarHBondContact CA-O 3.33Å; W1401-Y1441 HydrophobicContact CD2-CD1 4.42Å; W1401-Y1441 AromaticContact CE3-CD1 3.67Å; W1401-Y1441 HydrophobicContact CE3-CD1 3.67Å; W1401-Y1441 HydrophobicContact CE3-CE1 4.35Å; W1401-Y1441 HydrophobicContact CE3-CG 4.47Å; W1401-Y1441 AromaticContact CZ3-CD1 3.83Å; W1401-Y1441 HydrophobicContact CZ3-CD1 3.83Å; W1401-Y1441 AromaticContact CZ3-CE1 3.93Å; W1401-Y1441 HydrophobicContact CZ3-CE1 4.08Å; W1401-Y1441 PolarHBondContact N-O 2.98Å; W1401-Y1441 PolarHBondContact O-N 2.98Å; I1414-Y1441 HydrophobicContact CB-CD1 3.96Å; I1414-Y1441 HydrophobicContact CB-CE1 4.45Å; I1414-Y1441 HydrophobicContact CB-CG 4.44Å; I1414-Y1441 HydrophobicContact CG1-CD1 4.34Å; I1414-Y1441 HydrophobicContact CG2-CD1 3.95Å; I1414-Y1441 HydrophobicContact CG2-CE1 4.21Å; F1430-Y1441 HydrophobicContact CB-CE1 4.38Å; F1430-Y1441 VanDerWaalsContact CB-OH 3.3Å; F1430-Y1441 WeakPolarHBondContact CB-OH 3.16Å; F1430-Y1441 AromaticContact CD2-CE1 3.88Å; F1430-Y1441 HydrophobicContact CD2-CE1 3.91Å; F1430-Y1441 HydrophobicContact CG-CE1 4.47Å; H1431-Y1441 PolarHBondContact N-OH 2.86Å; H1431-Y1441 VanDerWaalsContact N-OH 3.13Å; H1431-Y1441 WeakPolarHBondContact O-CE2 3.42Å; H1431-Y1441 PolarHBondContact O-OH 2.7Å; S1432-Y1441 VanDerWaalsContact CB-CG 3.44Å; Y1441-F1443 HydrophobicContact CE1-CB 4.17Å; Y1441-E1624 WeakPolarHBondContact CE2-OE1 3.08Å; Y1441-E1624 VanDerWaalsContact CE2-OE2 3.27Å; Y1441-E1624 WeakPolarHBondContact CE2-OE2 3.04Å; Y1441-E1624 VanDerWaalsContact CZ-OE1 3.25Å; Y1441-E1624 VanDerWaalsContact OH-CD 3.24Å; Y1441-E1624 PolarHBondContact OH-OE1 3.36Å; Y1441-E1624 PolarHBondContact OH-OE2 2.73Å |
| 1442 | R | 92.4 | Very high | 90.2 | Very high | 149.2 Ų | 149.2 | 53.8 Ų | 53.8 | 56% | 0.563 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 129.6 | -174.9 | 173.5 | -171 | -48.9 | -131.6 | -1.5 | 109 | T1398 V1399 V1400 V1440 | T1398-R1442 HydrophobicContact CG2-CG 3.48Å; T1398-R1442 VanDerWaalsContact CG2-CG 3.48Å; V1399-R1442 WeakPolarHBondContact O-CA 3.24Å; V1400-R1442 HydrophobicContact CB-CG 4.39Å; V1400-R1442 HydrophobicContact CG1-CG 3.97Å; V1400-R1442 HydrophobicContact CG2-CB 4.23Å; V1400-R1442 HydrophobicContact CG2-CG 3.96Å; V1440-R1442 HydrophobicContact CG1-CG 4.36Å |
| 1443 | F | 91.4 | Very high | 90.4 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 139.4 | 175.6 | -168 | -102.2 | 0 | 0 | 0 | 111.7 | T1398 V1399 W1401 F1430 Y1441 F1445 T1622 E1624 Q1627 | T1398-F1443 CarbonylContact C-O 3.45Å; T1398-F1443 WeakPolarHBondContact CA-O 3.44Å; T1398-F1443 WeakPolarHBondContact CG2-O 3.42Å; V1399-F1443 PolarHBondContact N-O 3.03Å; V1399-F1443 PolarHBondContact O-N 3.11Å; W1401-F1443 HydrophobicContact CH2-CB 4.23Å; W1401-F1443 HydrophobicContact CZ3-CB 3.8Å; F1430-F1443 HydrophobicContact CB-CD1 4.23Å; F1430-F1443 HydrophobicContact CB-CD2 3.52Å; F1430-F1443 VanDerWaalsContact CB-CD2 3.48Å; F1430-F1443 HydrophobicContact CB-CE1 4.24Å; F1430-F1443 HydrophobicContact CB-CE2 3.54Å; F1430-F1443 VanDerWaalsContact CB-CE2 3.49Å; F1430-F1443 HydrophobicContact CB-CG 3.88Å; F1430-F1443 HydrophobicContact CB-CZ 3.92Å; F1430-F1443 AromaticContact CD1-CD1 3.93Å; F1430-F1443 HydrophobicContact CD1-CD1 3.98Å; F1430-F1443 AromaticContact CD1-CE1 3.86Å; F1430-F1443 HydrophobicContact CD1-CE1 3.92Å; F1430-F1443 HydrophobicContact CD1-CG 4.39Å; F1430-F1443 HydrophobicContact CD1-CZ 4.24Å; F1430-F1443 HydrophobicContact CG-CD1 4.21Å; F1430-F1443 HydrophobicContact CG-CD2 4.3Å; F1430-F1443 HydrophobicContact CG-CE1 4.35Å; F1430-F1443 HydrophobicContact CG-CE2 4.42Å; F1430-F1443 HydrophobicContact CG-CG 4.16Å; F1430-F1443 HydrophobicContact CG-CZ 4.45Å; Y1441-F1443 HydrophobicContact CE1-CB 4.17Å; F1443-F1445 HydrophobicContact CB-CE2 4.31Å; F1443-F1445 HydrophobicContact CD1-CD1 4.22Å; F1443-F1445 AromaticContact CD1-CD2 3.93Å; F1443-F1445 HydrophobicContact CD1-CD2 3.97Å; F1443-F1445 AromaticContact CD1-CE1 3.91Å; F1443-F1445 HydrophobicContact CD1-CE1 3.98Å; F1443-F1445 AromaticContact CD1-CE2 3.69Å; F1443-F1445 HydrophobicContact CD1-CE2 3.69Å; F1443-F1445 HydrophobicContact CD1-CG 4.22Å; F1443-F1445 AromaticContact CD1-CZ 3.7Å; F1443-F1445 HydrophobicContact CD1-CZ 3.7Å; F1443-F1445 HydrophobicContact CE1-CD1 4.21Å; F1443-F1445 HydrophobicContact CE1-CE1 4.2Å; F1443-F1445 HydrophobicContact CE1-CE2 4.5Å; F1443-F1445 HydrophobicContact CE1-CG 4.42Å; F1443-F1445 HydrophobicContact CE1-CZ 4.26Å; F1443-F1445 HydrophobicContact CG-CE2 4.46Å; F1443-T1622 WeakPolarHBondContact CE2-O 3.06Å; F1443-E1624 HydrophobicContact CD2-CG 3.97Å; F1443-E1624 WeakPolarHBondContact CD2-OE1 3.36Å; F1443-E1624 HydrophobicContact CE2-CB 4.26Å; F1443-E1624 HydrophobicContact CE2-CG 3.88Å; F1443-Q1627 VanDerWaalsContact CE2-NE2 3.32Å |
| 1444 | N | 90.2 | Very high | 90.6 | Very high | 23.6 Ų | 23.6 | 51 Ų | 51 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 119.7 | 178.5 | -61.1 | -31.7 | 0 | 0 | 0 | 109.9 | T1398 T1446 R1605 Q1627 | T1398-N1444 WeakPolarHBondContact CB-OD1 3.32Å; T1398-N1444 VanDerWaalsContact CG2-OD1 3.22Å; T1398-N1444 WeakPolarHBondContact CG2-OD1 3.3Å; T1398-N1444 PolarHBondContact OG1-OD1 3.09Å; N1444-T1446 HydrophobicContact CB-CG2 4.45Å; N1444-T1446 PolarHBondContact O-N 3Å; N1444-T1446 VanDerWaalsContact O-N 3.16Å; N1444-R1605 PolarHBondContact ND2-NH1 3.16Å; N1444-R1605 VanDerWaalsContact ND2-NH1 3.2Å; N1444-R1605 PolarHBondContact ND2-NH2 2.76Å; N1444-Q1627 PolarHBondContact ND2-OE1 3.23Å |
| 1445 | F | 91.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 24% | 0.235 | C | C | . | . | trans | -90.8 | 90.2 | -177.2 | -75.8 | -88.1 | 0 | 0 | 0 | 111 | I1393 Q1395 G1396 D1397 V1399 W1401 F1430 F1443 Y1451 I1465 V1467 | I1393-F1445 HydrophobicContact CD1-CB 3.84Å; I1393-F1445 HydrophobicContact CD1-CD2 3.75Å; I1393-F1445 HydrophobicContact CD1-CE2 4.45Å; I1393-F1445 HydrophobicContact CD1-CG 3.85Å; Q1395-F1445 CarbonylContact C-O 3.48Å; Q1395-F1445 WeakPolarHBondContact CA-O 3.46Å; G1396-F1445 PolarHBondContact N-O 3.05Å; D1397-F1445 PolarHBondContact O-N 3.09Å; V1399-F1445 HydrophobicContact CB-CD2 4.32Å; V1399-F1445 HydrophobicContact CB-CE2 3.83Å; V1399-F1445 HydrophobicContact CG2-CD2 3.82Å; V1399-F1445 HydrophobicContact CG2-CE2 3.65Å; W1401-F1445 AromaticContact CH2-CE2 3.86Å; W1401-F1445 HydrophobicContact CH2-CE2 3.86Å; W1401-F1445 AromaticContact CH2-CZ 3.91Å; W1401-F1445 HydrophobicContact CH2-CZ 3.91Å; W1401-F1445 HydrophobicContact CZ2-CZ 4.45Å; W1401-F1445 HydrophobicContact CZ3-CE2 4.41Å; F1430-F1445 HydrophobicContact CD1-CE1 4.36Å; F1430-F1445 HydrophobicContact CD1-CZ 4.35Å; F1430-F1445 AromaticContact CE1-CE1 3.82Å; F1430-F1445 HydrophobicContact CE1-CE1 3.82Å; F1430-F1445 AromaticContact CE1-CZ 3.78Å; F1430-F1445 HydrophobicContact CE1-CZ 3.78Å; F1430-F1445 HydrophobicContact CZ-CE1 4.36Å; F1430-F1445 AromaticContact CZ-CZ 3.85Å; F1430-F1445 HydrophobicContact CZ-CZ 4.07Å; F1443-F1445 HydrophobicContact CB-CE2 4.31Å; F1443-F1445 HydrophobicContact CD1-CD1 4.22Å; F1443-F1445 AromaticContact CD1-CD2 3.93Å; F1443-F1445 HydrophobicContact CD1-CD2 3.97Å; F1443-F1445 AromaticContact CD1-CE1 3.91Å; F1443-F1445 HydrophobicContact CD1-CE1 3.98Å; F1443-F1445 AromaticContact CD1-CE2 3.69Å; F1443-F1445 HydrophobicContact CD1-CE2 3.69Å; F1443-F1445 HydrophobicContact CD1-CG 4.22Å; F1443-F1445 AromaticContact CD1-CZ 3.7Å; F1443-F1445 HydrophobicContact CD1-CZ 3.7Å; F1443-F1445 HydrophobicContact CE1-CD1 4.21Å; F1443-F1445 HydrophobicContact CE1-CE1 4.2Å; F1443-F1445 HydrophobicContact CE1-CE2 4.5Å; F1443-F1445 HydrophobicContact CE1-CG 4.42Å; F1443-F1445 HydrophobicContact CE1-CZ 4.26Å; F1443-F1445 HydrophobicContact CG-CE2 4.46Å; F1445-Y1451 HydrophobicContact CD1-CD1 4.46Å; F1445-Y1451 AromaticContact CD1-CD2 3.76Å; F1445-Y1451 HydrophobicContact CD1-CD2 3.76Å; F1445-Y1451 HydrophobicContact CD1-CE1 4.49Å; F1445-Y1451 AromaticContact CD1-CE2 3.88Å; F1445-Y1451 HydrophobicContact CD1-CE2 3.88Å; F1445-Y1451 HydrophobicContact CD1-CG 4.13Å; F1445-Y1451 HydrophobicContact CE1-CD1 4.15Å; F1445-Y1451 AromaticContact CE1-CD2 3.77Å; F1445-Y1451 HydrophobicContact CE1-CD2 3.77Å; F1445-Y1451 HydrophobicContact CE1-CE1 4.48Å; F1445-Y1451 HydrophobicContact CE1-CE2 4.29Å; F1445-Y1451 AromaticContact CE1-CG 3.69Å; F1445-Y1451 HydrophobicContact CE1-CG 3.69Å; F1445-I1465 HydrophobicContact CD1-CG2 4.24Å; F1445-I1465 HydrophobicContact CD2-CG2 4.42Å; F1445-I1465 HydrophobicContact CE1-CB 4.43Å; F1445-I1465 HydrophobicContact CE1-CD1 4.26Å; F1445-I1465 HydrophobicContact CE1-CG2 4.09Å; F1445-I1465 HydrophobicContact CE2-CD1 3.67Å; F1445-I1465 HydrophobicContact CE2-CG2 4.29Å; F1445-I1465 HydrophobicContact CG-CG2 4.4Å; F1445-I1465 HydrophobicContact CZ-CB 4.36Å; F1445-I1465 HydrophobicContact CZ-CD1 3.4Å; F1445-I1465 HydrophobicContact CZ-CG1 4.44Å; F1445-I1465 HydrophobicContact CZ-CG2 4.11Å; F1445-V1467 HydrophobicContact CB-CG1 4.24Å; F1445-V1467 HydrophobicContact CB-CG2 3.76Å; F1445-V1467 HydrophobicContact CD1-CG2 3.66Å; F1445-V1467 HydrophobicContact CE1-CG2 4.48Å; F1445-V1467 HydrophobicContact CG-CG2 3.9Å | ||
| 1446 | T | 89.7 | Confident | 90.5 | Very high | 7.8 Ų | 7.8 | 41.5 Ų | 41.5 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | trans | -89.1 | -11.2 | -174 | 59 | 0 | 0 | 0 | 0 | 114 | Q1395 N1444 L1617 L1618 Q1619 V1620 | Q1395-T1446 VanDerWaalsContact CG-O 3.28Å; Q1395-T1446 WeakPolarHBondContact CG-O 3.44Å; Q1395-T1446 PolarHBondContact NE2-O 2.84Å; N1444-T1446 HydrophobicContact CB-CG2 4.45Å; N1444-T1446 PolarHBondContact O-N 3Å; N1444-T1446 VanDerWaalsContact O-N 3.16Å; T1446-L1617 HydrophobicContact CG2-CD1 4.14Å; T1446-L1617 WeakPolarHBondContact O-CD2 3.3Å; T1446-L1618 WeakPolarHBondContact CB-O 3.32Å; T1446-L1618 VanDerWaalsContact CG2-O 3.31Å; T1446-L1618 WeakPolarHBondContact CG2-O 3.24Å; T1446-L1618 PolarHBondContact OG1-O 2.9Å; T1446-Q1619 WeakPolarHBondContact O-CG 3.45Å; T1446-V1620 HydrophobicContact CG2-CG2 4.43Å; T1446-V1620 PolarHBondContact OG1-N 2.92Å; T1446-V1620 PolarHBondContact OG1-O 2.69Å; T1446-V1620 VanDerWaalsContact OG1-O 3.04Å | ||
| 1447 | Q | 89.2 | Confident | 89.6 | Confident | 67.2 Ų | 67.2 | 45.3 Ų | 45.3 | 31% | 0.314 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -117.8 | 135.5 | -179.4 | -80.7 | -173.7 | 6.1 | 0 | 0 | 111.7 | Y1451 V1467 Q1619 V1620 | Q1447-Y1451 WeakPolarHBondContact CB-OH 3.17Å; Q1447-Y1451 PolarHBondContact O-OH 2.84Å; Q1447-Y1451 VanDerWaalsContact O-OH 3.09Å; Q1447-V1467 WeakPolarHBondContact O-CB 3.45Å; Q1447-V1467 VanDerWaalsContact O-CG1 3.28Å; Q1447-V1467 WeakPolarHBondContact O-CG1 3.29Å; Q1447-Q1619 HydrophobicContact CB-CG 4.24Å; Q1447-Q1619 HydrophobicContact CG-CG 3.47Å; Q1447-Q1619 VanDerWaalsContact CG-CG 3.49Å; Q1447-Q1619 VanDerWaalsContact CG-NE2 3.34Å; Q1447-V1620 PolarHBondContact NE2-O 2.93Å; Q1447-V1620 VanDerWaalsContact NE2-O 3.16Å |
| 1448 | P | 91.3 | Very high | 88.8 | Confident | 59.8 Ų | 59.8 | 47.2 Ų | 47.2 | 39% | 0.388 | 25% | 0.245 | S | C | . | . | trans | -64.7 | 140 | 171.5 | -20.4 | 33.5 | 0 | 0 | 0 | 111.7 | Q1395 V1467 A1469 | Q1395-P1448 HydrophobicContact CB-CG 4.31Å; Q1395-P1448 HydrophobicContact CG-CG 4.46Å; P1448-V1467 CarbonylContact C-O 3.53Å; P1448-V1467 VanDerWaalsContact CA-O 3.32Å; P1448-V1467 WeakPolarHBondContact CA-O 3.28Å; P1448-A1469 HydrophobicContact CB-CB 4.35Å; P1448-A1469 HydrophobicContact CG-CB 3.84Å | ||
| 1449 | G | 91.3 | Very high | 88.1 | Confident | 28.8 Ų | 28.8 | 44.2 Ų | 44.2 | 30% | 0.297 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 166.4 | -177.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1467 | G1449-V1467 PolarHBondContact N-O 3.07Å; G1449-V1467 PolarHBondContact O-N 2.97Å |
| 1450 | T | 91.1 | Very high | 87.9 | Confident | 65.8 Ų | 65.8 | 46 Ų | 46 | 40% | 0.404 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 115.6 | 171.1 | -56.3 | 0 | 0 | 0 | 0 | 107.8 | Y1452 I1464 I1465 | T1450-Y1452 HydrophobicContact CG2-CE1 4.25Å; T1450-Y1452 HydrophobicContact CG2-CE2 4.07Å; T1450-I1464 HydrophobicContact CG2-CG2 3.7Å; T1450-I1465 WeakPolarHBondContact CA-O 3.23Å |
| 1451 | Y | 92.7 | Very high | 87.6 | Confident | 24.2 Ų | 24.2 | 41.8 Ų | 41.8 | 10% | 0.095 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.2 | -177.4 | -60.2 | -92.7 | 0 | 0 | 0 | 109.2 | E1416 F1430 F1445 Q1447 I1464 I1465 V1467 T1622 | E1416-Y1451 WeakPolarHBondContact OE1-CD1 3.26Å; F1430-Y1451 HydrophobicContact CE1-CD1 4.36Å; F1430-Y1451 HydrophobicContact CE1-CG 4.5Å; F1445-Y1451 HydrophobicContact CD1-CD1 4.46Å; F1445-Y1451 AromaticContact CD1-CD2 3.76Å; F1445-Y1451 HydrophobicContact CD1-CD2 3.76Å; F1445-Y1451 HydrophobicContact CD1-CE1 4.49Å; F1445-Y1451 AromaticContact CD1-CE2 3.88Å; F1445-Y1451 HydrophobicContact CD1-CE2 3.88Å; F1445-Y1451 HydrophobicContact CD1-CG 4.13Å; F1445-Y1451 HydrophobicContact CE1-CD1 4.15Å; F1445-Y1451 AromaticContact CE1-CD2 3.77Å; F1445-Y1451 HydrophobicContact CE1-CD2 3.77Å; F1445-Y1451 HydrophobicContact CE1-CE1 4.48Å; F1445-Y1451 HydrophobicContact CE1-CE2 4.29Å; F1445-Y1451 AromaticContact CE1-CG 3.69Å; F1445-Y1451 HydrophobicContact CE1-CG 3.69Å; Q1447-Y1451 WeakPolarHBondContact CB-OH 3.17Å; Q1447-Y1451 PolarHBondContact O-OH 2.84Å; Q1447-Y1451 VanDerWaalsContact O-OH 3.09Å; Y1451-I1464 WeakPolarHBondContact O-CA 3.29Å; Y1451-I1465 PolarHBondContact N-O 3.11Å; Y1451-I1465 PolarHBondContact O-N 3.03Å; Y1451-V1467 HydrophobicContact CD2-CG2 3.66Å; Y1451-V1467 HydrophobicContact CE2-CB 4.18Å; Y1451-V1467 HydrophobicContact CE2-CG2 3.55Å; Y1451-V1467 VanDerWaalsContact CE2-CG2 3.47Å; Y1451-T1622 HydrophobicContact CD1-CG2 3.85Å; Y1451-T1622 HydrophobicContact CE1-CG2 4.02Å; Y1451-T1622 VanDerWaalsContact CE1-CG2 3.43Å |
| 1452 | Y | 93.3 | Very high | 87.6 | Confident | 52.8 Ų | 52.8 | 42 Ų | 42 | 21% | 0.207 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 141 | 174.1 | -57.4 | -84 | 0 | 0 | 0 | 108.1 | E1416 I1417 L1420 T1450 I1464 | E1416-Y1452 WeakPolarHBondContact CA-O 3.35Å; I1417-Y1452 VanDerWaalsContact CG1-CB 3.49Å; I1417-Y1452 PolarHBondContact N-O 3.23Å; L1420-Y1452 HydrophobicContact CD1-CD1 4.22Å; L1420-Y1452 HydrophobicContact CD1-CE1 4.06Å; L1420-Y1452 HydrophobicContact CD2-CD1 3.98Å; L1420-Y1452 HydrophobicContact CD2-CE1 4.47Å; L1420-Y1452 HydrophobicContact CG-CD1 3.68Å; L1420-Y1452 HydrophobicContact CG-CE1 3.91Å; L1420-Y1452 HydrophobicContact CG-CG 4.44Å; T1450-Y1452 HydrophobicContact CG2-CE1 4.25Å; T1450-Y1452 HydrophobicContact CG2-CE2 4.07Å; Y1452-I1464 HydrophobicContact CD1-CD1 4.32Å; Y1452-I1464 HydrophobicContact CD1-CG1 3.89Å; Y1452-I1464 HydrophobicContact CD1-CG2 4.43Å; Y1452-I1464 HydrophobicContact CE1-CD1 4.03Å; Y1452-I1464 HydrophobicContact CE1-CG1 3.98Å; Y1452-I1464 HydrophobicContact CE1-CG2 4.33Å |
| 1453 | Y | 94.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 154.3 | 176.5 | 67.1 | -85.4 | 0 | 0 | 0 | 111.5 | I1371 W1386 W1401 I1414 A1415 F1430 T1462 G1463 I1465 | I1371-Y1453 HydrophobicContact CD1-CE1 4.45Å; I1371-Y1453 WeakPolarHBondContact CD1-OH 3.41Å; W1386-Y1453 AromaticContact CD1-CE2 3.58Å; W1386-Y1453 HydrophobicContact CD2-CE2 4.4Å; W1386-Y1453 AromaticContact CG-CE2 3.99Å; W1386-Y1453 HydrophobicContact CG-CE2 4.08Å; W1386-Y1453 AromaticContact NE1-CE2 3.63Å; W1401-Y1453 AromaticContact CD1-CE2 3.86Å; W1401-Y1453 HydrophobicContact CZ2-CD1 4.33Å; W1401-Y1453 HydrophobicContact CZ2-CD2 4.48Å; W1401-Y1453 HydrophobicContact CZ2-CE1 4.42Å; W1401-Y1453 HydrophobicContact CZ2-CG 4.37Å; W1401-Y1453 AromaticContact NE1-CD2 3.6Å; W1401-Y1453 AromaticContact NE1-CE1 3.96Å; W1401-Y1453 AromaticContact NE1-CE2 3.15Å; W1401-Y1453 AromaticContact NE1-CZ 3.42Å; W1401-Y1453 VanDerWaalsContact NE1-CZ 3.29Å; I1414-Y1453 HydrophobicContact CD1-CD2 4.38Å; I1414-Y1453 HydrophobicContact CD1-CE2 4.46Å; I1414-Y1453 HydrophobicContact CG2-CD2 4.38Å; A1415-Y1453 CarbonylContact O-C 3.53Å; A1415-Y1453 VanDerWaalsContact O-CA 3.23Å; A1415-Y1453 WeakPolarHBondContact O-CA 3.31Å; A1415-Y1453 WeakPolarHBondContact O-CB 3.34Å; F1430-Y1453 HydrophobicContact CZ-CG 4.5Å; Y1453-T1462 CarbonylContact O-C 3.58Å; Y1453-T1462 VanDerWaalsContact O-CA 3.27Å; Y1453-T1462 WeakPolarHBondContact O-CA 3.26Å; Y1453-G1463 WeakPolarHBondContact CD1-O 3.26Å; Y1453-G1463 VanDerWaalsContact CE1-CA 3.46Å; Y1453-G1463 VanDerWaalsContact CZ-CA 3.47Å; Y1453-G1463 PolarHBondContact N-O 3.1Å; Y1453-G1463 VanDerWaalsContact N-O 3.12Å; Y1453-G1463 PolarHBondContact O-N 2.99Å; Y1453-G1463 VanDerWaalsContact O-N 3.07Å; Y1453-I1465 HydrophobicContact CD1-CD1 4.15Å; Y1453-I1465 HydrophobicContact CD1-CG1 4.26Å; Y1453-I1465 HydrophobicContact CE1-CD1 4.03Å; Y1453-I1465 HydrophobicContact CE1-CG1 3.91Å |
| 1454 | A | 92.5 | Very high | 87.7 | Confident | 4.4 Ų | 4.4 | 35.5 Ų | 35.5 | 4% | 0.036 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 158.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1415 I1417 L1460 M1461 T1462 | A1415-A1454 PolarHBondContact N-O 2.99Å; A1415-A1454 VanDerWaalsContact N-O 3.1Å; A1415-A1454 PolarHBondContact O-N 3.07Å; I1417-A1454 HydrophobicContact CD1-CB 4.13Å; I1417-A1454 HydrophobicContact CG2-CB 3.82Å; A1454-L1460 HydrophobicContact CB-CD1 3.79Å; A1454-M1461 CarbonylContact C-O 3.53Å; A1454-M1461 WeakPolarHBondContact CA-O 3.33Å; A1454-T1462 HydrophobicContact CB-CG2 4.21Å |
| 1455 | S | 90.5 | Very high | 87.9 | Confident | 4.4 Ų | 4.4 | 34.4 Ų | 34.4 | 3% | 0.031 | 18% | 0.181 | C | C | . | . | trans | -91.5 | -131.5 | 172.3 | 62.4 | 0 | 0 | 0 | 0 | 114.2 | W1386 L1412 M1413 F1459 L1460 M1461 | W1386-S1455 VanDerWaalsContact CZ2-CB 3.49Å; L1412-S1455 CarbonylContact C-O 3.5Å; L1412-S1455 WeakPolarHBondContact CA-O 3.4Å; M1413-S1455 CarbonylContact C-O 3.51Å; M1413-S1455 VanDerWaalsContact C-O 3.29Å; M1413-S1455 WeakPolarHBondContact CG-O 3.39Å; M1413-S1455 PolarHBondContact N-O 2.96Å; M1413-S1455 CarbonylContact O-C 3.43Å; M1413-S1455 VanDerWaalsContact O-C 3.28Å; M1413-S1455 VanDerWaalsContact O-CA 3.26Å; M1413-S1455 WeakPolarHBondContact O-CA 3.37Å; M1413-S1455 WeakPolarHBondContact O-CB 3.41Å; S1455-F1459 PolarHBondContact OG-O 3.07Å; S1455-L1460 WeakPolarHBondContact OG-CA 3.46Å; S1455-M1461 WeakPolarHBondContact CB-O 3.47Å; S1455-M1461 PolarHBondContact N-O 3Å; S1455-M1461 VanDerWaalsContact N-O 3.1Å; S1455-M1461 WeakPolarHBondContact OG-CA 3.38Å; S1455-M1461 VanDerWaalsContact OG-CB 3.31Å; S1455-M1461 WeakPolarHBondContact OG-CB 3.2Å; S1455-M1461 PolarHBondContact OG-N 3Å; S1455-M1461 PolarHBondContact OG-O 2.9Å | ||
| 1456 | S | 81.1 | Confident | 88 | Confident | 6.8 Ų | 6.8 | 37.1 Ų | 37.1 | 5% | 0.048 | 19% | 0.194 | C | C | . | . | trans | -96.5 | 158.6 | -178.6 | 62.3 | 0 | 0 | 0 | 0 | 112.5 | P1411 E1458 F1459 L1460 | P1411-S1456 WeakPolarHBondContact O-CB 3.46Å; P1411-S1456 PolarHBondContact O-OG 3.13Å; S1456-E1458 VanDerWaalsContact C-N 3.26Å; S1456-E1458 PolarHBondContact O-N 3.1Å; S1456-E1458 PolarHBondContact OG-N 3.14Å; S1456-E1458 VanDerWaalsContact OG-N 3.14Å; S1456-F1459 CarbonylContact O-C 3.53Å; S1456-F1459 PolarHBondContact O-N 3.2Å; S1456-F1459 VanDerWaalsContact O-N 3.11Å; S1456-F1459 VanDerWaalsContact OG-C 3.28Å; S1456-F1459 PolarHBondContact OG-N 2.83Å; S1456-F1459 PolarHBondContact OG-O 2.89Å; S1456-L1460 PolarHBondContact O-N 3.11Å; S1456-L1460 VanDerWaalsContact O-N 3.17Å | ||
| 1457 | E | 70.7 | Confident | 88.1 | Confident | 145.2 Ų | 145.2 | 37 Ų | 37 | 68% | 0.679 | 19% | 0.193 | S | C | * | . | G | 310 helix | trans | -69.7 | -15.9 | 177.5 | -65.7 | -163.8 | 162.6 | 0 | 0 | 113.9 | K783 F784 Y785 F1459 | K783-E1457 WeakPolarHBondContact CD-OE2 3.32Å; K783-E1457 WeakPolarHBondContact CE-OE2 3.14Å; K783-E1457 IonicContact NZ-OE1 2.73Å; K783-E1457 PolarHBondContact NZ-OE1 3.39Å; K783-E1457 IonicContact NZ-OE2 3.05Å; K783-E1457 PolarHBondContact NZ-OE2 2.81Å; F784-E1457 WeakPolarHBondContact CE1-O 3.25Å; Y785-E1457 HydrophobicContact CE1-CB 4.49Å; Y785-E1457 HydrophobicContact CE1-CG 4.33Å; E1457-F1459 VanDerWaalsContact C-N 3.28Å; E1457-F1459 PolarHBondContact O-N 2.96Å |
| 1458 | E | 68.8 | Low | 88.2 | Confident | 126.2 Ų | 126.2 | 37.6 Ų | 37.6 | 59% | 0.59 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -84 | -35.8 | 179.9 | -64.5 | -170.4 | 154.7 | 0 | 0 | 113.8 | F784 N1410 P1411 S1456 | F784-E1458 WeakPolarHBondContact CD1-O 3.35Å; F784-E1458 WeakPolarHBondContact CE1-O 3.44Å; F784-E1458 WeakPolarHBondContact CG-O 3.15Å; N1410-E1458 HydrophobicContact CB-CB 4.34Å; N1410-E1458 VanDerWaalsContact CB-OE2 3.25Å; N1410-E1458 WeakPolarHBondContact CB-OE2 3.39Å; N1410-E1458 VanDerWaalsContact CG-OE2 3.23Å; N1410-E1458 WeakPolarHBondContact ND2-CB 3.38Å; N1410-E1458 PolarHBondContact ND2-O 2.96Å; N1410-E1458 PolarHBondContact ND2-OE2 3.34Å; P1411-E1458 WeakPolarHBondContact CD-OE2 3.45Å; S1456-E1458 VanDerWaalsContact C-N 3.26Å; S1456-E1458 PolarHBondContact O-N 3.1Å; S1456-E1458 PolarHBondContact OG-N 3.14Å; S1456-E1458 VanDerWaalsContact OG-N 3.14Å |
| 1459 | F | 74.4 | Confident | 88.1 | Confident | 28 Ų | 28 | 37.5 Ų | 37.5 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -155.3 | 82.9 | -179.3 | -109 | -79.7 | 0 | 0 | 0 | 112.6 | F784 Y1384 N1410 L1412 S1455 S1456 E1457 M1461 | F784-F1459 VanDerWaalsContact CZ-N 3.31Å; Y1384-F1459 AromaticContact CD1-CD1 3.63Å; Y1384-F1459 HydrophobicContact CD1-CD1 3.86Å; Y1384-F1459 AromaticContact CD1-CD2 3.92Å; Y1384-F1459 HydrophobicContact CD1-CD2 4.21Å; Y1384-F1459 AromaticContact CD1-CE1 3.67Å; Y1384-F1459 HydrophobicContact CD1-CE1 3.93Å; Y1384-F1459 AromaticContact CD1-CE2 3.71Å; Y1384-F1459 HydrophobicContact CD1-CE2 3.71Å; Y1384-F1459 VanDerWaalsContact CD1-CE2 3.49Å; Y1384-F1459 HydrophobicContact CD1-CG 4.42Å; Y1384-F1459 AromaticContact CD1-CZ 2.95Å; Y1384-F1459 HydrophobicContact CD1-CZ 3.68Å; Y1384-F1459 HydrophobicContact CD2-CZ 4.16Å; Y1384-F1459 AromaticContact CE1-CD1 3.7Å; Y1384-F1459 HydrophobicContact CE1-CD1 3.7Å; Y1384-F1459 HydrophobicContact CE1-CD2 4.33Å; Y1384-F1459 AromaticContact CE1-CE1 3.58Å; Y1384-F1459 HydrophobicContact CE1-CE1 3.75Å; Y1384-F1459 AromaticContact CE1-CE2 3.06Å; Y1384-F1459 HydrophobicContact CE1-CE2 3.99Å; Y1384-F1459 HydrophobicContact CE1-CG 4.26Å; Y1384-F1459 AromaticContact CE1-CZ 3.01Å; Y1384-F1459 HydrophobicContact CE1-CZ 3.97Å; Y1384-F1459 HydrophobicContact CE2-CZ 4.16Å; Y1384-F1459 HydrophobicContact CG-CE1 4.1Å; Y1384-F1459 HydrophobicContact CG-CE2 4.48Å; Y1384-F1459 AromaticContact CG-CZ 3.6Å; Y1384-F1459 HydrophobicContact CG-CZ 3.6Å; Y1384-F1459 AromaticContact CZ-CE2 3.74Å; Y1384-F1459 AromaticContact CZ-CZ 3.62Å; N1410-F1459 HydrophobicContact CB-CB 4.27Å; N1410-F1459 HydrophobicContact CB-CD1 3.83Å; N1410-F1459 HydrophobicContact CB-CD2 3.78Å; N1410-F1459 HydrophobicContact CB-CE1 3.59Å; N1410-F1459 HydrophobicContact CB-CE2 3.98Å; N1410-F1459 HydrophobicContact CB-CG 4.23Å; N1410-F1459 WeakPolarHBondContact ND2-CD2 3.4Å; N1410-F1459 VanDerWaalsContact ND2-CE2 3.28Å; N1410-F1459 WeakPolarHBondContact ND2-CE2 3.2Å; N1410-F1459 WeakPolarHBondContact OD1-CE2 3.48Å; L1412-F1459 HydrophobicContact CD1-CZ 4.47Å; L1412-F1459 HydrophobicContact CD2-CB 4.15Å; L1412-F1459 HydrophobicContact CD2-CD1 3.74Å; L1412-F1459 HydrophobicContact CD2-CD2 4.49Å; L1412-F1459 HydrophobicContact CD2-CE1 4.07Å; L1412-F1459 HydrophobicContact CD2-CE2 3.58Å; L1412-F1459 HydrophobicContact CD2-CG 4.09Å; L1412-F1459 HydrophobicContact CD2-CZ 3.32Å; L1412-F1459 HydrophobicContact CG-CZ 4.12Å; S1455-F1459 PolarHBondContact OG-O 3.07Å; S1456-F1459 CarbonylContact O-C 3.53Å; S1456-F1459 PolarHBondContact O-N 3.2Å; S1456-F1459 VanDerWaalsContact O-N 3.11Å; S1456-F1459 VanDerWaalsContact OG-C 3.28Å; S1456-F1459 PolarHBondContact OG-N 2.83Å; S1456-F1459 PolarHBondContact OG-O 2.89Å; E1457-F1459 VanDerWaalsContact C-N 3.28Å; E1457-F1459 PolarHBondContact O-N 2.96Å; F1459-M1461 HydrophobicContact CD1-CE 4.25Å; F1459-M1461 HydrophobicContact CD1-CG 4.02Å; F1459-M1461 HydrophobicContact CD1-SD 4.06Å; F1459-M1461 HydrophobicContact CD2-CG 4.26Å; F1459-M1461 HydrophobicContact CD2-SD 4.45Å; F1459-M1461 HydrophobicContact CE1-CE 4.35Å; F1459-M1461 HydrophobicContact CE1-CG 3.99Å; F1459-M1461 HydrophobicContact CE1-SD 3.73Å; F1459-M1461 VanDerWaalsContact CE1-SD 3.51Å; F1459-M1461 HydrophobicContact CE2-CG 4.1Å; F1459-M1461 HydrophobicContact CE2-SD 3.71Å; F1459-M1461 PolarHBondContact O-N 2.8Å; F1459-M1461 VanDerWaalsContact O-N 3.16Å |
| 1460 | L | 81.7 | Confident | 87.8 | Confident | 51.8 Ų | 51.8 | 37 Ų | 37 | 27% | 0.271 | 19% | 0.188 | S | C | . | . | trans | -76.6 | 120 | 179.2 | -171.9 | 78 | 0 | 0 | 0 | 111.8 | F784 L1423 A1454 S1455 S1456 T1462 | F784-L1460 HydrophobicContact CE2-CB 3.63Å; F784-L1460 HydrophobicContact CZ-CB 3.44Å; F784-L1460 VanDerWaalsContact CZ-CB 3.44Å; L1423-L1460 HydrophobicContact CB-CD1 4.39Å; L1423-L1460 HydrophobicContact CD1-CD1 3.96Å; L1423-L1460 HydrophobicContact CD1-CD2 3.35Å; L1423-L1460 HydrophobicContact CD1-CG 4.3Å; L1423-L1460 HydrophobicContact CD2-CD1 4.42Å; L1423-L1460 HydrophobicContact CD2-CD2 4.34Å; L1423-L1460 HydrophobicContact CG-CD2 4.36Å; A1454-L1460 HydrophobicContact CB-CD1 3.79Å; S1455-L1460 WeakPolarHBondContact OG-CA 3.46Å; S1456-L1460 PolarHBondContact O-N 3.11Å; S1456-L1460 VanDerWaalsContact O-N 3.17Å; L1460-T1462 HydrophobicContact CD1-CG2 4.12Å; L1460-T1462 HydrophobicContact CD2-CG2 3.79Å; L1460-T1462 HydrophobicContact CG-CG2 3.99Å | ||
| 1461 | M | 88.8 | Confident | 87.4 | Confident | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.03 | 19% | 0.192 | C | C | . | . | trans | -123.3 | 119.5 | 164.4 | -61.1 | 165.7 | 48.2 | 0 | 0 | 106.9 | D1373 G1383 Y1384 E1385 W1386 L1412 A1454 S1455 F1459 | D1373-M1461 HydrophobicContact CB-CE 4.11Å; G1383-M1461 WeakPolarHBondContact O-CE 3.29Å; Y1384-M1461 WeakPolarHBondContact O-CG 3.32Å; E1385-M1461 VanDerWaalsContact CA-CE 3.46Å; E1385-M1461 PolarHBondContact N-SD 3.12Å; E1385-M1461 VanDerWaalsContact N-SD 3.43Å; E1385-M1461 WeakPolarHBondContact O-CE 3.45Å; W1386-M1461 HydrophobicContact CB-CE 4.5Å; W1386-M1461 HydrophobicContact CD2-CB 4.4Å; W1386-M1461 HydrophobicContact CD2-CE 3.74Å; W1386-M1461 VanDerWaalsContact CD2-CE 3.49Å; W1386-M1461 HydrophobicContact CE3-CE 3.96Å; W1386-M1461 HydrophobicContact CG-CB 4.28Å; W1386-M1461 HydrophobicContact CG-CE 4Å; W1386-M1461 HydrophobicContact CH2-CE 4.18Å; W1386-M1461 HydrophobicContact CZ2-CE 3.98Å; W1386-M1461 HydrophobicContact CZ2-SD 4.39Å; W1386-M1461 HydrophobicContact CZ3-CE 4.19Å; W1386-M1461 VanDerWaalsContact NE1-CB 3.31Å; W1386-M1461 PolarHBondContact NE1-O 3.03Å; L1412-M1461 HydrophobicContact CD1-CE 3.57Å; L1412-M1461 HydrophobicContact CD1-SD 4.07Å; L1412-M1461 HydrophobicContact CD2-CE 4.12Å; L1412-M1461 HydrophobicContact CD2-SD 4.38Å; L1412-M1461 HydrophobicContact CG-CE 4.49Å; A1454-M1461 CarbonylContact C-O 3.53Å; A1454-M1461 WeakPolarHBondContact CA-O 3.33Å; S1455-M1461 WeakPolarHBondContact CB-O 3.47Å; S1455-M1461 PolarHBondContact N-O 3Å; S1455-M1461 VanDerWaalsContact N-O 3.1Å; S1455-M1461 WeakPolarHBondContact OG-CA 3.38Å; S1455-M1461 VanDerWaalsContact OG-CB 3.31Å; S1455-M1461 WeakPolarHBondContact OG-CB 3.2Å; S1455-M1461 PolarHBondContact OG-N 3Å; S1455-M1461 PolarHBondContact OG-O 2.9Å; F1459-M1461 HydrophobicContact CD1-CE 4.25Å; F1459-M1461 HydrophobicContact CD1-CG 4.02Å; F1459-M1461 HydrophobicContact CD1-SD 4.06Å; F1459-M1461 HydrophobicContact CD2-CG 4.26Å; F1459-M1461 HydrophobicContact CD2-SD 4.45Å; F1459-M1461 HydrophobicContact CE1-CE 4.35Å; F1459-M1461 HydrophobicContact CE1-CG 3.99Å; F1459-M1461 HydrophobicContact CE1-SD 3.73Å; F1459-M1461 VanDerWaalsContact CE1-SD 3.51Å; F1459-M1461 HydrophobicContact CE2-CG 4.1Å; F1459-M1461 HydrophobicContact CE2-SD 3.71Å; F1459-M1461 PolarHBondContact O-N 2.8Å; F1459-M1461 VanDerWaalsContact O-N 3.16Å | ||
| 1462 | T | 91.6 | Very high | 87.2 | Confident | 23 Ų | 23 | 38.1 Ų | 38.1 | 14% | 0.141 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 154.5 | 179.5 | 52.3 | 0 | 0 | 0 | 0 | 111.4 | L927 I1417 L1420 L1423 Y1453 A1454 L1460 | L927-T1462 VanDerWaalsContact CD2-O 3.28Å; L927-T1462 WeakPolarHBondContact CD2-O 3.3Å; I1417-T1462 HydrophobicContact CD1-CG2 4.45Å; L1420-T1462 HydrophobicContact CD2-CG2 4.39Å; L1423-T1462 HydrophobicContact CD2-CG2 4.11Å; Y1453-T1462 CarbonylContact O-C 3.58Å; Y1453-T1462 VanDerWaalsContact O-CA 3.27Å; Y1453-T1462 WeakPolarHBondContact O-CA 3.26Å; A1454-T1462 HydrophobicContact CB-CG2 4.21Å; L1460-T1462 HydrophobicContact CD1-CG2 4.12Å; L1460-T1462 HydrophobicContact CD2-CG2 3.79Å; L1460-T1462 HydrophobicContact CG-CG2 3.99Å |
| 1463 | G | 93.3 | Very high | 87 | Confident | 0.2 Ų | 0.2 | 35.6 Ų | 35.6 | 0% | 0.002 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 172.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K1389 Y1453 | K1389-G1463 CarbonylContact O-C 3.51Å; K1389-G1463 WeakPolarHBondContact O-CA 3.3Å; Y1453-G1463 WeakPolarHBondContact CD1-O 3.26Å; Y1453-G1463 VanDerWaalsContact CE1-CA 3.46Å; Y1453-G1463 VanDerWaalsContact CZ-CA 3.47Å; Y1453-G1463 PolarHBondContact N-O 3.1Å; Y1453-G1463 VanDerWaalsContact N-O 3.12Å; Y1453-G1463 PolarHBondContact O-N 2.99Å; Y1453-G1463 VanDerWaalsContact O-N 3.07Å |
| 1464 | I | 94.2 | Very high | 86.8 | Confident | 18.8 Ų | 18.8 | 36.5 Ų | 36.5 | 10% | 0.096 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 130.5 | -178.5 | -53.6 | 175.7 | 0 | 0 | 0 | 109.3 | L927 K1389 T1390 L1391 L1420 T1450 Y1451 Y1452 | L927-I1464 HydrophobicContact CB-CD1 3.97Å; L927-I1464 HydrophobicContact CB-CG1 4.34Å; L927-I1464 HydrophobicContact CD1-CD1 3.95Å; L927-I1464 HydrophobicContact CD1-CG1 3.87Å; L927-I1464 HydrophobicContact CG-CD1 4.47Å; L927-I1464 HydrophobicContact CG-CG1 4.44Å; K1389-I1464 PolarHBondContact O-N 2.96Å; T1390-I1464 CarbonylContact C-O 3.49Å; T1390-I1464 VanDerWaalsContact CA-O 3.3Å; T1390-I1464 WeakPolarHBondContact CA-O 3.39Å; T1390-I1464 HydrophobicContact CG2-CB 4.2Å; T1390-I1464 HydrophobicContact CG2-CG2 4.28Å; L1391-I1464 PolarHBondContact N-O 2.84Å; L1420-I1464 HydrophobicContact CD1-CD1 4.1Å; L1420-I1464 HydrophobicContact CD1-CG1 4.47Å; T1450-I1464 HydrophobicContact CG2-CG2 3.7Å; Y1451-I1464 WeakPolarHBondContact O-CA 3.29Å; Y1452-I1464 HydrophobicContact CD1-CD1 4.32Å; Y1452-I1464 HydrophobicContact CD1-CG1 3.89Å; Y1452-I1464 HydrophobicContact CD1-CG2 4.43Å; Y1452-I1464 HydrophobicContact CE1-CD1 4.03Å; Y1452-I1464 HydrophobicContact CE1-CG1 3.98Å; Y1452-I1464 HydrophobicContact CE1-CG2 4.33Å |
| 1465 | I | 94.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 115.6 | 168.1 | -64.8 | 167.9 | 0 | 0 | 0 | 108 | I1371 L1391 I1393 V1399 W1401 F1445 T1450 Y1451 Y1453 V1467 | I1371-I1465 HydrophobicContact CD1-CD1 4.44Å; L1391-I1465 CarbonylContact O-C 3.45Å; L1391-I1465 WeakPolarHBondContact O-CA 3.39Å; I1393-I1465 HydrophobicContact CD1-CG2 3.54Å; I1393-I1465 VanDerWaalsContact CD1-CG2 3.48Å; I1393-I1465 HydrophobicContact CG1-CG2 3.93Å; V1399-I1465 HydrophobicContact CB-CD1 4.28Å; V1399-I1465 HydrophobicContact CG1-CD1 4.13Å; V1399-I1465 HydrophobicContact CG2-CD1 4Å; V1399-I1465 HydrophobicContact CG2-CG2 4.5Å; W1401-I1465 HydrophobicContact CH2-CD1 3.8Å; W1401-I1465 HydrophobicContact CZ2-CD1 3.36Å; F1445-I1465 HydrophobicContact CD1-CG2 4.24Å; F1445-I1465 HydrophobicContact CD2-CG2 4.42Å; F1445-I1465 HydrophobicContact CE1-CB 4.43Å; F1445-I1465 HydrophobicContact CE1-CD1 4.26Å; F1445-I1465 HydrophobicContact CE1-CG2 4.09Å; F1445-I1465 HydrophobicContact CE2-CD1 3.67Å; F1445-I1465 HydrophobicContact CE2-CG2 4.29Å; F1445-I1465 HydrophobicContact CG-CG2 4.4Å; F1445-I1465 HydrophobicContact CZ-CB 4.36Å; F1445-I1465 HydrophobicContact CZ-CD1 3.4Å; F1445-I1465 HydrophobicContact CZ-CG1 4.44Å; F1445-I1465 HydrophobicContact CZ-CG2 4.11Å; T1450-I1465 WeakPolarHBondContact CA-O 3.23Å; Y1451-I1465 PolarHBondContact N-O 3.11Å; Y1451-I1465 PolarHBondContact O-N 3.03Å; Y1453-I1465 HydrophobicContact CD1-CD1 4.15Å; Y1453-I1465 HydrophobicContact CD1-CG1 4.26Å; Y1453-I1465 HydrophobicContact CE1-CD1 4.03Å; Y1453-I1465 HydrophobicContact CE1-CG1 3.91Å; I1465-V1467 HydrophobicContact CG2-CG2 3.84Å |
| 1466 | E | 92.4 | Very high | 86.8 | Confident | 57.8 Ų | 57.8 | 37.4 Ų | 37.4 | 27% | 0.27 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 106.8 | 175.6 | -170.1 | -174.1 | -155.4 | 0 | 0 | 109.4 | L1391 T1392 I1393 K1468 | L1391-E1466 PolarHBondContact O-N 3.19Å; T1392-E1466 CarbonylContact C-O 3.56Å; T1392-E1466 VanDerWaalsContact CA-O 3.3Å; T1392-E1466 WeakPolarHBondContact CA-O 3.32Å; T1392-E1466 HydrophobicContact CG2-CB 4.37Å; T1392-E1466 HydrophobicContact CG2-CG 4.41Å; T1392-E1466 WeakPolarHBondContact CG2-OE2 3.41Å; T1392-E1466 PolarHBondContact OG1-OE2 3.11Å; T1392-E1466 VanDerWaalsContact OG1-OE2 3.04Å; I1393-E1466 PolarHBondContact N-O 3.29Å; E1466-K1468 VanDerWaalsContact CD-CE 3.43Å; E1466-K1468 VanDerWaalsContact CD-NZ 3.3Å; E1466-K1468 HydrophobicContact CG-CD 4.41Å; E1466-K1468 VanDerWaalsContact OE1-CE 3.29Å; E1466-K1468 WeakPolarHBondContact OE1-CE 3.27Å; E1466-K1468 IonicContact OE1-NZ 2.95Å; E1466-K1468 PolarHBondContact OE1-NZ 2.78Å; E1466-K1468 VanDerWaalsContact OE2-CE 3.26Å; E1466-K1468 WeakPolarHBondContact OE2-CE 3.21Å; E1466-K1468 IonicContact OE2-NZ 2.99Å; E1466-K1468 PolarHBondContact OE2-NZ 2.87Å |
| 1467 | V | 93.1 | Very high | 87.5 | Confident | 4.8 Ų | 4.8 | 37.1 Ų | 37.1 | 3% | 0.029 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 111.9 | -178.8 | -169.9 | 0 | 0 | 0 | 0 | 108.9 | I1393 Q1395 F1445 Q1447 P1448 G1449 Y1451 I1465 | I1393-V1467 HydrophobicContact CD1-CG2 4.03Å; I1393-V1467 HydrophobicContact CG1-CB 4.33Å; I1393-V1467 HydrophobicContact CG1-CG1 4.33Å; I1393-V1467 HydrophobicContact CG1-CG2 3.89Å; Q1395-V1467 HydrophobicContact CB-CG1 4.26Å; F1445-V1467 HydrophobicContact CB-CG1 4.24Å; F1445-V1467 HydrophobicContact CB-CG2 3.76Å; F1445-V1467 HydrophobicContact CD1-CG2 3.66Å; F1445-V1467 HydrophobicContact CE1-CG2 4.48Å; F1445-V1467 HydrophobicContact CG-CG2 3.9Å; Q1447-V1467 WeakPolarHBondContact O-CB 3.45Å; Q1447-V1467 VanDerWaalsContact O-CG1 3.28Å; Q1447-V1467 WeakPolarHBondContact O-CG1 3.29Å; P1448-V1467 CarbonylContact C-O 3.53Å; P1448-V1467 VanDerWaalsContact CA-O 3.32Å; P1448-V1467 WeakPolarHBondContact CA-O 3.28Å; G1449-V1467 PolarHBondContact N-O 3.07Å; G1449-V1467 PolarHBondContact O-N 2.97Å; Y1451-V1467 HydrophobicContact CD2-CG2 3.66Å; Y1451-V1467 HydrophobicContact CE2-CB 4.18Å; Y1451-V1467 HydrophobicContact CE2-CG2 3.55Å; Y1451-V1467 VanDerWaalsContact CE2-CG2 3.47Å; I1465-V1467 HydrophobicContact CG2-CG2 3.84Å |
| 1468 | K | 90.3 | Very high | 88.6 | Confident | 81 Ų | 81 | 30.9 Ų | 30.9 | 35% | 0.352 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 147.8 | 172.8 | -58.1 | -59.4 | -172.7 | -177.6 | 0 | 110 | L1339 T1392 I1393 I1394 Q1395 E1466 | L1339-K1468 HydrophobicContact CD1-CB 4.02Å; L1339-K1468 HydrophobicContact CD1-CG 3.86Å; T1392-K1468 HydrophobicContact CG2-CD 4.39Å; T1392-K1468 HydrophobicContact CG2-CG 3.9Å; I1393-K1468 PolarHBondContact O-N 3.07Å; I1394-K1468 CarbonylContact C-O 3.49Å; I1394-K1468 VanDerWaalsContact CA-O 3.28Å; I1394-K1468 WeakPolarHBondContact CA-O 3.36Å; Q1395-K1468 WeakPolarHBondContact CB-O 3.32Å; Q1395-K1468 PolarHBondContact N-O 2.99Å; E1466-K1468 VanDerWaalsContact CD-CE 3.43Å; E1466-K1468 VanDerWaalsContact CD-NZ 3.3Å; E1466-K1468 HydrophobicContact CG-CD 4.41Å; E1466-K1468 VanDerWaalsContact OE1-CE 3.29Å; E1466-K1468 WeakPolarHBondContact OE1-CE 3.27Å; E1466-K1468 IonicContact OE1-NZ 2.95Å; E1466-K1468 PolarHBondContact OE1-NZ 2.78Å; E1466-K1468 VanDerWaalsContact OE2-CE 3.26Å; E1466-K1468 WeakPolarHBondContact OE2-CE 3.21Å; E1466-K1468 IonicContact OE2-NZ 2.99Å; E1466-K1468 PolarHBondContact OE2-NZ 2.87Å |
| 1469 | A | 88.3 | Confident | 89.9 | Confident | 56.8 Ų | 56.8 | 24.9 Ų | 24.9 | 47% | 0.469 | 13% | 0.132 | S | C | . | . | P | Polyproline II helix | trans | -60.7 | 153.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q1395 P1448 D1471 | Q1395-A1469 VanDerWaalsContact OE1-CA 3.28Å; P1448-A1469 HydrophobicContact CB-CB 4.35Å; P1448-A1469 HydrophobicContact CG-CB 3.84Å; A1469-D1471 PolarHBondContact O-N 3.08Å |
| 1470 | F | 86.6 | Confident | 90.7 | Very high | 18.2 Ų | 18.2 | 25.3 Ų | 25.3 | 8% | 0.08 | 14% | 0.135 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 123.6 | 173.4 | -131.9 | -75.3 | 0 | 0 | 0 | 109.7 | F1309 V1310 M1365 I1394 Q1395 C1473 G1528 T1531 L1617 | F1309-F1470 HydrophobicContact CB-CD1 3.56Å; F1309-F1470 HydrophobicContact CB-CD2 3.97Å; F1309-F1470 HydrophobicContact CB-CE1 3.52Å; F1309-F1470 HydrophobicContact CB-CE2 3.73Å; F1309-F1470 HydrophobicContact CB-CG 4.05Å; F1309-F1470 HydrophobicContact CB-CZ 3.75Å; F1309-F1470 VanDerWaalsContact CB-CZ 3.43Å; F1309-F1470 HydrophobicContact CD1-CB 3.73Å; F1309-F1470 AromaticContact CD1-CD1 3.49Å; F1309-F1470 HydrophobicContact CD1-CD1 3.49Å; F1309-F1470 VanDerWaalsContact CD1-CD1 3.44Å; F1309-F1470 HydrophobicContact CD1-CD2 4.13Å; F1309-F1470 AromaticContact CD1-CE1 3.42Å; F1309-F1470 HydrophobicContact CD1-CE1 3.82Å; F1309-F1470 VanDerWaalsContact CD1-CE1 3.49Å; F1309-F1470 AromaticContact CD1-CG 3.51Å; F1309-F1470 HydrophobicContact CD1-CG 3.51Å; F1309-F1470 VanDerWaalsContact CD1-CG 3.48Å; F1309-F1470 HydrophobicContact CD2-CB 4.27Å; F1309-F1470 HydrophobicContact CD2-CD1 4.19Å; F1309-F1470 AromaticContact CD2-CD2 3.46Å; F1309-F1470 HydrophobicContact CD2-CD2 3.46Å; F1309-F1470 AromaticContact CD2-CE2 3.81Å; F1309-F1470 HydrophobicContact CD2-CE2 3.81Å; F1309-F1470 AromaticContact CD2-CG 3.74Å; F1309-F1470 HydrophobicContact CD2-CG 3.74Å; F1309-F1470 HydrophobicContact CD2-CZ 4.37Å; F1309-F1470 HydrophobicContact CE1-CB 3.7Å; F1309-F1470 HydrophobicContact CE1-CD1 4.26Å; F1309-F1470 HydrophobicContact CE1-CE1 4.24Å; F1309-F1470 HydrophobicContact CE1-CG 4Å; F1309-F1470 HydrophobicContact CE2-CB 4.22Å; F1309-F1470 AromaticContact CE2-CD2 3.93Å; F1309-F1470 HydrophobicContact CE2-CD2 4Å; F1309-F1470 HydrophobicContact CE2-CG 4.17Å; F1309-F1470 HydrophobicContact CG-CB 4.07Å; F1309-F1470 AromaticContact CG-CD1 3.47Å; F1309-F1470 HydrophobicContact CG-CD1 3.47Å; F1309-F1470 VanDerWaalsContact CG-CD1 3.44Å; F1309-F1470 AromaticContact CG-CD2 3.57Å; F1309-F1470 HydrophobicContact CG-CD2 3.57Å; F1309-F1470 AromaticContact CG-CE1 3.79Å; F1309-F1470 HydrophobicContact CG-CE1 3.79Å; F1309-F1470 AromaticContact CG-CE2 3.85Å; F1309-F1470 HydrophobicContact CG-CE2 3.85Å; F1309-F1470 AromaticContact CG-CG 3.42Å; F1309-F1470 HydrophobicContact CG-CG 3.9Å; F1309-F1470 VanDerWaalsContact CG-CG 3.42Å; F1309-F1470 AromaticContact CG-CZ 3.97Å; F1309-F1470 HydrophobicContact CG-CZ 3.97Å; F1309-F1470 HydrophobicContact CZ-CB 3.97Å; F1309-F1470 HydrophobicContact CZ-CG 4.32Å; V1310-F1470 HydrophobicContact CG1-CE1 4.18Å; V1310-F1470 HydrophobicContact CG1-CZ 3.69Å; V1310-F1470 HydrophobicContact CG2-CE1 4.37Å; V1310-F1470 HydrophobicContact CG2-CZ 3.86Å; M1365-F1470 HydrophobicContact CB-CE2 4.3Å; M1365-F1470 HydrophobicContact CB-CZ 4.45Å; I1394-F1470 HydrophobicContact CB-CD2 4.24Å; I1394-F1470 HydrophobicContact CD1-CD2 3.35Å; I1394-F1470 VanDerWaalsContact CD1-CD2 3.45Å; I1394-F1470 HydrophobicContact CD1-CE2 3.66Å; I1394-F1470 HydrophobicContact CD1-CG 4.37Å; I1394-F1470 HydrophobicContact CG1-CD2 4.22Å; I1394-F1470 HydrophobicContact CG2-CD1 3.91Å; I1394-F1470 HydrophobicContact CG2-CD2 4.14Å; I1394-F1470 HydrophobicContact CG2-CE1 4.3Å; Q1395-F1470 HydrophobicContact CB-CD1 4.46Å; Q1395-F1470 HydrophobicContact CB-CD2 4.36Å; Q1395-F1470 HydrophobicContact CB-CE1 4.43Å; Q1395-F1470 HydrophobicContact CB-CE2 4.29Å; Q1395-F1470 HydrophobicContact CB-CG 4.46Å; Q1395-F1470 HydrophobicContact CB-CZ 4.33Å; Q1395-F1470 VanDerWaalsContact CD-N 3.29Å; Q1395-F1470 HydrophobicContact CG-CB 3.82Å; Q1395-F1470 HydrophobicContact CG-CD2 4.41Å; Q1395-F1470 HydrophobicContact CG-CE2 4.1Å; Q1395-F1470 HydrophobicContact CG-CZ 4.32Å; Q1395-F1470 WeakPolarHBondContact O-CD1 3.36Å; Q1395-F1470 WeakPolarHBondContact O-CE1 3.24Å; Q1395-F1470 VanDerWaalsContact O-CZ 3.27Å; Q1395-F1470 WeakPolarHBondContact O-CZ 3.15Å; F1470-C1473 HydrophobicContact CE1-CB 4.19Å; F1470-C1473 HydrophobicContact CZ-CB 3.75Å; F1470-G1528 WeakPolarHBondContact O-CA 3.35Å; F1470-T1531 HydrophobicContact CD2-CG2 3.97Å; F1470-T1531 HydrophobicContact CE2-CG2 3.51Å; F1470-T1531 VanDerWaalsContact CE2-CG2 3.49Å; F1470-T1531 HydrophobicContact CG-CG2 4.45Å; F1470-T1531 HydrophobicContact CZ-CG2 3.93Å; F1470-L1617 HydrophobicContact CE2-CB 4.29Å; F1470-L1617 HydrophobicContact CE2-CD2 3.65Å; F1470-L1617 HydrophobicContact CE2-CG 4.46Å; F1470-L1617 HydrophobicContact CZ-CB 4.38Å; F1470-L1617 HydrophobicContact CZ-CD1 4.32Å; F1470-L1617 HydrophobicContact CZ-CD2 3.75Å; F1470-L1617 HydrophobicContact CZ-CG 4.32Å |
| 1471 | D | 82.1 | Confident | 90.9 | Very high | 91.4 Ų | 91.4 | 23.4 Ų | 23.4 | 49% | 0.489 | 13% | 0.125 | S | C | . | . | trans | -96.7 | -178.8 | 173.4 | -165 | 1.6 | 0 | 0 | 0 | 109.7 | F1309 N1337 L1339 A1469 C1473 G1528 | F1309-D1471 WeakPolarHBondContact CD2-O 3.41Å; N1337-D1471 PolarHBondContact ND2-O 3.1Å; N1337-D1471 VanDerWaalsContact ND2-O 3.08Å; N1337-D1471 PolarHBondContact ND2-OD2 2.92Å; L1339-D1471 PolarHBondContact N-OD2 3.36Å; A1469-D1471 PolarHBondContact O-N 3.08Å; D1471-C1473 PolarHBondContact O-N 2.68Å; D1471-G1528 PolarHBondContact O-N 3.21Å | ||
| 1472 | D | 87.4 | Confident | 90.5 | Very high | 22 Ų | 22 | 29 Ų | 29 | 12% | 0.118 | 16% | 0.155 | C | C | . | . | trans | -76.2 | 138.2 | 176 | -69.9 | -26.3 | 0 | 0 | 0 | 110.7 | N1337 Q1338 L1512 V1525 Y1526 R1527 G1528 | N1337-D1472 PolarHBondContact ND2-O 3.12Å; N1337-D1472 VanDerWaalsContact ND2-O 3.13Å; Q1338-D1472 WeakPolarHBondContact CG-O 3.47Å; Q1338-D1472 VanDerWaalsContact NE2-C 3.28Å; Q1338-D1472 PolarHBondContact NE2-O 2.97Å; D1472-L1512 HydrophobicContact CB-CD1 4.22Å; D1472-L1512 HydrophobicContact CB-CD2 4.17Å; D1472-L1512 WeakPolarHBondContact OD2-CD1 3.42Å; D1472-V1525 HydrophobicContact CB-CG1 4.34Å; D1472-V1525 HydrophobicContact CB-CG2 4.36Å; D1472-Y1526 CarbonylContact C-O 3.54Å; D1472-Y1526 WeakPolarHBondContact CA-O 3.44Å; D1472-R1527 HydrophobicContact CB-CG 4.43Å; D1472-R1527 VanDerWaalsContact CG-CG 3.49Å; D1472-R1527 VanDerWaalsContact OD1-CA 3.28Å; D1472-R1527 WeakPolarHBondContact OD1-CA 3.32Å; D1472-R1527 VanDerWaalsContact OD1-CB 3.29Å; D1472-R1527 WeakPolarHBondContact OD1-CB 3.43Å; D1472-R1527 WeakPolarHBondContact OD1-CD 3.29Å; D1472-R1527 VanDerWaalsContact OD1-CG 3.26Å; D1472-R1527 WeakPolarHBondContact OD1-CG 3.2Å; D1472-R1527 IonicContact OD1-CZ 3Å; D1472-R1527 IonicContact OD1-NE 2.86Å; D1472-R1527 PolarHBondContact OD1-NE 3.04Å; D1472-R1527 IonicContact OD1-NH2 3.11Å; D1472-R1527 VanDerWaalsContact OD2-CG 3.31Å; D1472-R1527 WeakPolarHBondContact OD2-CG 3.3Å; D1472-R1527 IonicContact OD2-CZ 3.53Å; D1472-R1527 IonicContact OD2-NE 3.43Å; D1472-R1527 PolarHBondContact OD2-NE 3.11Å; D1472-R1527 IonicContact OD2-NH1 3.53Å; D1472-R1527 PolarHBondContact OD2-NH1 3.28Å; D1472-R1527 IonicContact OD2-NH2 3.65Å; D1472-R1527 PolarHBondContact OD2-NH2 3.21Å; D1472-G1528 PolarHBondContact OD1-N 3.12Å | ||
| 1473 | C | 89.3 | Confident | 89.9 | Confident | 0.2 Ų | 0.2 | 33.5 Ų | 33.5 | 0% | 0.001 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 107.3 | 175.9 | -171.2 | 0 | 0 | 0 | 0 | 110.7 | F1309 C1340 M1365 F1470 D1471 V1525 Y1526 | F1309-C1473 HydrophobicContact CD2-CB 4.31Å; F1309-C1473 HydrophobicContact CE2-CB 3.82Å; C1340-C1473 HydrophobicContact CB-CB 3.62Å; C1340-C1473 VanDerWaalsContact CB-CB 3.44Å; C1340-C1473 WeakPolarHBondContact CB-SG 3.31Å; C1340-C1473 WeakPolarHBondContact SG-CA 3.28Å; C1340-C1473 WeakPolarHBondContact SG-CB 3.22Å; C1340-C1473 CovalentContact SG-SG 2.03Å; C1340-C1473 PolarHBondContact SG-SG 3.01Å; M1365-C1473 VanDerWaalsContact CE-SG 3.52Å; F1470-C1473 HydrophobicContact CE1-CB 4.19Å; F1470-C1473 HydrophobicContact CZ-CB 3.75Å; D1471-C1473 PolarHBondContact O-N 2.68Å; C1473-V1525 WeakPolarHBondContact O-CA 3.27Å; C1473-V1525 WeakPolarHBondContact O-CG2 3.19Å; C1473-Y1526 PolarHBondContact N-O 2.87Å; C1473-Y1526 PolarHBondContact O-N 2.94Å |
| 1474 | M | 90 | Very high | 89.4 | Confident | 19.6 Ų | 19.6 | 34.5 Ų | 34.5 | 10% | 0.097 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 133.7 | -179.9 | -61.3 | 175.2 | -141.4 | 0 | 0 | 109.9 | I1333 V1335 Q1338 W1497 L1512 P1515 L1518 V1525 | I1333-M1474 HydrophobicContact CD1-CB 3.87Å; I1333-M1474 HydrophobicContact CG1-CB 3.91Å; I1333-M1474 VanDerWaalsContact CG1-O 3.26Å; I1333-M1474 WeakPolarHBondContact CG1-O 3.24Å; I1333-M1474 PolarHBondContact N-O 2.96Å; I1333-M1474 VanDerWaalsContact N-O 3.13Å; V1335-M1474 HydrophobicContact CB-CE 4.15Å; V1335-M1474 HydrophobicContact CG1-CE 3.99Å; V1335-M1474 HydrophobicContact CG1-SD 4.34Å; V1335-M1474 HydrophobicContact CG2-CE 3.86Å; V1335-M1474 HydrophobicContact CG2-SD 4.37Å; Q1338-M1474 VanDerWaalsContact NE2-CE 3.3Å; M1474-W1497 HydrophobicContact CB-CH2 4.06Å; M1474-W1497 HydrophobicContact CG-CH2 3.68Å; M1474-W1497 HydrophobicContact CG-CZ2 4.32Å; M1474-W1497 HydrophobicContact CG-CZ3 3.72Å; M1474-W1497 HydrophobicContact SD-CH2 3.93Å; M1474-W1497 HydrophobicContact SD-CZ3 3.61Å; M1474-L1512 HydrophobicContact CE-CB 4.4Å; M1474-L1512 HydrophobicContact CE-CD1 4.22Å; M1474-L1512 HydrophobicContact CE-CD2 4.2Å; M1474-L1512 HydrophobicContact CE-CG 4.25Å; M1474-L1512 HydrophobicContact CG-CD2 4.15Å; M1474-L1512 HydrophobicContact SD-CD2 4.17Å; M1474-P1515 VanDerWaalsContact SD-CD 3.57Å; M1474-P1515 HydrophobicContact SD-CG 3.77Å; M1474-L1518 HydrophobicContact CB-CD1 4.32Å; M1474-V1525 HydrophobicContact CG-CB 4.48Å; M1474-V1525 HydrophobicContact CG-CG1 4.27Å; M1474-V1525 HydrophobicContact CG-CG2 4.18Å |
| 1475 | T | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 147.2 | -177 | 68.6 | 0 | 0 | 0 | 0 | 112.4 | M1330 K1331 P1332 M1365 G1523 F1524 Y1526 | M1330-T1475 HydrophobicContact CB-CG2 4.34Å; K1331-T1475 CarbonylContact O-C 3.5Å; K1331-T1475 WeakPolarHBondContact O-CA 3.2Å; K1331-T1475 WeakPolarHBondContact O-CB 3.3Å; P1332-T1475 HydrophobicContact CG-CG2 4.45Å; M1365-T1475 HydrophobicContact CE-CG2 4.05Å; T1475-G1523 CarbonylContact O-C 3.54Å; T1475-G1523 WeakPolarHBondContact O-CA 3.42Å; T1475-F1524 WeakPolarHBondContact CA-O 3.36Å; T1475-F1524 WeakPolarHBondContact CB-O 3.24Å; T1475-F1524 PolarHBondContact N-O 3.04Å; T1475-F1524 PolarHBondContact O-N 3.01Å; T1475-F1524 PolarHBondContact OG1-O 3.07Å; T1475-Y1526 HydrophobicContact CG2-CD2 3.79Å; T1475-Y1526 HydrophobicContact CG2-CE2 3.89Å |
| 1476 | E | 92.6 | Very high | 89 | Confident | 28.6 Ų | 28.6 | 37.5 Ų | 37.5 | 13% | 0.134 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 131.6 | 166.2 | 176.6 | -178.2 | 166.2 | 0 | 0 | 109.3 | K1331 I1333 I1478 H1488 L1518 K1521 | K1331-E1476 PolarHBondContact N-O 2.92Å; K1331-E1476 PolarHBondContact O-N 2.93Å; I1333-E1476 HydrophobicContact CG2-CB 4.11Å; E1476-I1478 HydrophobicContact CG-CG1 4.01Å; E1476-I1478 PolarHBondContact O-N 2.93Å; E1476-H1488 IonicContact OE1-NE2 2.72Å; E1476-L1518 HydrophobicContact CB-CD2 4.18Å; E1476-K1521 VanDerWaalsContact CD-CD 3.44Å; E1476-K1521 HydrophobicContact CG-CB 4.45Å; E1476-K1521 HydrophobicContact CG-CD 3.82Å; E1476-K1521 VanDerWaalsContact OE1-CD 3.22Å; E1476-K1521 WeakPolarHBondContact OE1-CD 3.35Å; E1476-K1521 WeakPolarHBondContact OE1-CE 3.27Å; E1476-K1521 IonicContact OE1-NZ 3.5Å; E1476-K1521 PolarHBondContact OE1-NZ 3Å; E1476-K1521 WeakPolarHBondContact OE2-CD 3.45Å; E1476-K1521 IonicContact OE2-NZ 3.68Å; E1476-K1521 PolarHBondContact OE2-NZ 2.77Å |
| 1477 | L | 95.1 | Very high | 89 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 119 | 169.8 | 172.5 | 66.4 | 0 | 0 | 0 | 109.2 | I1299 I1302 I1317 V1328 M1330 V1479 H1488 H1522 | I1299-L1477 HydrophobicContact CD1-CD2 4.37Å; I1299-L1477 HydrophobicContact CD1-CG 4.36Å; I1299-L1477 HydrophobicContact CG2-CD2 3.91Å; I1302-L1477 HydrophobicContact CB-CD2 3.89Å; I1302-L1477 HydrophobicContact CD1-CD1 4.28Å; I1302-L1477 HydrophobicContact CD1-CD2 3.91Å; I1302-L1477 HydrophobicContact CD1-CG 4.46Å; I1302-L1477 HydrophobicContact CG1-CD2 4.43Å; I1302-L1477 HydrophobicContact CG2-CD2 4.13Å; I1317-L1477 HydrophobicContact CD1-CD1 3.79Å; I1317-L1477 HydrophobicContact CD1-CD2 4.27Å; I1317-L1477 HydrophobicContact CG1-CD1 4.45Å; I1317-L1477 HydrophobicContact CG1-CD2 4.14Å; I1317-L1477 HydrophobicContact CG2-CD2 4.18Å; V1328-L1477 HydrophobicContact CG1-CD1 3.66Å; M1330-L1477 HydrophobicContact CE-CD1 3.89Å; M1330-L1477 HydrophobicContact SD-CB 4.38Å; M1330-L1477 HydrophobicContact SD-CD1 3.81Å; L1477-V1479 HydrophobicContact CD1-CG2 4.37Å; L1477-V1479 HydrophobicContact CD2-CG2 4.36Å; L1477-V1479 HydrophobicContact CG-CG2 4.34Å; L1477-H1488 PolarHBondContact O-CE1 3.02Å; L1477-H1488 PolarHBondContact O-NE2 3.03Å; L1477-H1488 VanDerWaalsContact O-NE2 3.15Å; L1477-H1522 HydrophobicContact CB-CB 4.28Å; L1477-H1522 WeakPolarHBondContact CB-O 3.35Å; L1477-H1522 HydrophobicContact CD2-CB 4.15Å; L1477-H1522 PolarHBondContact N-O 3.16Å |
| 1478 | I | 94.8 | Very high | 89 | Confident | 15.2 Ų | 15.2 | 40.4 Ų | 40.4 | 8% | 0.078 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 119.1 | 176.4 | -59.1 | -179.6 | 0 | 0 | 0 | 108.3 | V1328 F1329 K1331 E1476 E1480 T1485 | V1328-I1478 CarbonylContact C-O 3.53Å; V1328-I1478 WeakPolarHBondContact CA-O 3.31Å; F1329-I1478 HydrophobicContact CB-CB 4.36Å; F1329-I1478 PolarHBondContact N-O 2.93Å; F1329-I1478 PolarHBondContact O-N 3.1Å; K1331-I1478 HydrophobicContact CB-CD1 3.68Å; K1331-I1478 HydrophobicContact CB-CG1 4.37Å; K1331-I1478 HydrophobicContact CD-CD1 3.63Å; K1331-I1478 HydrophobicContact CG-CD1 4.27Å; E1476-I1478 HydrophobicContact CG-CG1 4.01Å; E1476-I1478 PolarHBondContact O-N 2.93Å; I1478-E1480 HydrophobicContact CG2-CB 4.35Å; I1478-E1480 HydrophobicContact CG2-CG 4.42Å; I1478-E1480 WeakPolarHBondContact CG2-OE2 3.3Å; I1478-T1485 HydrophobicContact CG2-CG2 3.81Å |
| 1479 | V | 94.4 | Very high | 89 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 117.9 | 169.3 | -177.4 | 0 | 0 | 0 | 0 | 107 | F1297 I1299 I1317 F1322 V1326 K1327 V1328 I1358 L1477 A1486 | F1297-V1479 HydrophobicContact CE2-CG1 4.2Å; F1297-V1479 HydrophobicContact CZ-CG1 4.01Å; I1299-V1479 HydrophobicContact CD1-CB 3.81Å; I1299-V1479 HydrophobicContact CD1-CG2 3.57Å; I1299-V1479 HydrophobicContact CG1-CB 4Å; I1299-V1479 HydrophobicContact CG1-CG2 3.8Å; I1317-V1479 HydrophobicContact CG2-CG2 4.37Å; F1322-V1479 HydrophobicContact CD1-CG1 4.23Å; F1322-V1479 HydrophobicContact CE1-CG1 4Å; V1326-V1479 HydrophobicContact CB-CG1 4.25Å; V1326-V1479 HydrophobicContact CG1-CG1 3.85Å; V1326-V1479 HydrophobicContact CG2-CG1 3.28Å; K1327-V1479 WeakPolarHBondContact O-CA 3.38Å; V1328-V1479 HydrophobicContact CG1-CG2 4.46Å; V1328-V1479 HydrophobicContact CG2-CG1 4.47Å; V1328-V1479 HydrophobicContact CG2-CG2 4.23Å; I1358-V1479 HydrophobicContact CD1-CG1 4.02Å; L1477-V1479 HydrophobicContact CD1-CG2 4.37Å; L1477-V1479 HydrophobicContact CD2-CG2 4.36Å; L1477-V1479 HydrophobicContact CG-CG2 4.34Å; V1479-A1486 HydrophobicContact CB-CB 4.02Å; V1479-A1486 HydrophobicContact CG1-CB 4.41Å; V1479-A1486 WeakPolarHBondContact O-CB 3.31Å; V1479-A1486 PolarHBondContact O-N 2.92Å |
| 1480 | E | 92.2 | Very high | 89 | Confident | 36.6 Ų | 36.6 | 41.7 Ų | 41.7 | 17% | 0.171 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 157.6 | -174.8 | 69 | -175.8 | -156.6 | 0 | 0 | 112.1 | V1326 K1327 F1329 R1345 I1478 S1484 T1485 | V1326-E1480 CarbonylContact C-O 3.52Å; V1326-E1480 WeakPolarHBondContact CA-O 3.33Å; K1327-E1480 PolarHBondContact N-O 2.9Å; K1327-E1480 PolarHBondContact O-N 3.18Å; F1329-E1480 HydrophobicContact CD2-CG 3.99Å; F1329-E1480 HydrophobicContact CE2-CG 3.73Å; F1329-E1480 VanDerWaalsContact CE2-OE1 3.27Å; F1329-E1480 WeakPolarHBondContact CE2-OE1 3.44Å; R1345-E1480 IonicContact CZ-OE1 3.41Å; R1345-E1480 VanDerWaalsContact CZ-OE1 3.25Å; R1345-E1480 IonicContact CZ-OE2 3.37Å; R1345-E1480 VanDerWaalsContact NH1-CD 3.26Å; R1345-E1480 IonicContact NH1-OE1 2.85Å; R1345-E1480 PolarHBondContact NH1-OE1 3.11Å; R1345-E1480 IonicContact NH1-OE2 3.28Å; R1345-E1480 PolarHBondContact NH1-OE2 2.89Å; R1345-E1480 IonicContact NH2-OE1 2.82Å; R1345-E1480 PolarHBondContact NH2-OE1 3.08Å; R1345-E1480 IonicContact NH2-OE2 2.98Å; I1478-E1480 HydrophobicContact CG2-CB 4.35Å; I1478-E1480 HydrophobicContact CG2-CG 4.42Å; I1478-E1480 WeakPolarHBondContact CG2-OE2 3.3Å; E1480-S1484 CarbonylContact C-O 3.53Å; E1480-S1484 WeakPolarHBondContact CA-O 3.43Å; E1480-T1485 HydrophobicContact CB-CG2 4.46Å |
| 1481 | T | 86.4 | Confident | 89 | Confident | 11 Ų | 11 | 42.8 Ų | 42.8 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | trans | -118.5 | 177.6 | 166.4 | 65.6 | 0 | 0 | 0 | 0 | 108 | S1226 F1297 V1326 Y1483 S1484 | S1226-T1481 VanDerWaalsContact OG-CB 3.3Å; S1226-T1481 WeakPolarHBondContact OG-CB 3.4Å; S1226-T1481 VanDerWaalsContact OG-CG2 3.24Å; S1226-T1481 WeakPolarHBondContact OG-CG2 3.39Å; S1226-T1481 PolarHBondContact OG-OG1 3.1Å; S1226-T1481 VanDerWaalsContact OG-OG1 3.1Å; F1297-T1481 HydrophobicContact CE1-CG2 4.05Å; F1297-T1481 HydrophobicContact CE2-CG2 4.03Å; F1297-T1481 HydrophobicContact CZ-CG2 3.55Å; V1326-T1481 HydrophobicContact CB-CG2 4.36Å; V1326-T1481 HydrophobicContact CG1-CG2 3.91Å; V1326-T1481 HydrophobicContact CG2-CG2 4.11Å; T1481-Y1483 PolarHBondContact O-N 3.11Å; T1481-Y1483 PolarHBondContact OG1-N 3.19Å; T1481-S1484 PolarHBondContact N-O 3.04Å; T1481-S1484 PolarHBondContact OG1-N 3.02Å; T1481-S1484 VanDerWaalsContact OG1-N 3.14Å; T1481-S1484 PolarHBondContact OG1-O 2.86Å; T1481-S1484 VanDerWaalsContact OG1-O 3.08Å | ||
| 1482 | N | 79 | Confident | 88.8 | Confident | 123.6 Ų | 123.6 | 41.4 Ų | 41.4 | 66% | 0.661 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -61.2 | -9.4 | 173.1 | -64.2 | -15.7 | 0 | 0 | 0 | 113.9 | ||
| 1483 | Y | 78.8 | Confident | 88.2 | Confident | 118 Ų | 118 | 48.4 Ų | 48.4 | 46% | 0.463 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -118 | -28.2 | -171.8 | -52.6 | -71.3 | 0 | 0 | 0 | 114.7 | V1268 T1481 | V1268-Y1483 HydrophobicContact CB-CD1 4.24Å; V1268-Y1483 HydrophobicContact CB-CE1 4.43Å; V1268-Y1483 HydrophobicContact CB-CG 4.3Å; V1268-Y1483 HydrophobicContact CG1-CD1 3.98Å; V1268-Y1483 HydrophobicContact CG1-CD2 3.92Å; V1268-Y1483 HydrophobicContact CG1-CE1 4.02Å; V1268-Y1483 HydrophobicContact CG1-CE2 3.96Å; V1268-Y1483 HydrophobicContact CG1-CG 3.91Å; V1268-Y1483 VanDerWaalsContact CG1-CG 3.47Å; V1268-Y1483 HydrophobicContact CG2-CD1 4.43Å; V1268-Y1483 HydrophobicContact CG2-CD2 4.47Å; V1268-Y1483 HydrophobicContact CG2-CE1 4.46Å; V1268-Y1483 HydrophobicContact CG2-CE2 4.07Å; T1481-Y1483 PolarHBondContact O-N 3.11Å; T1481-Y1483 PolarHBondContact OG1-N 3.19Å |
| 1484 | S | 82.9 | Confident | 87.7 | Confident | 20.8 Ų | 20.8 | 51.5 Ų | 51.5 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | trans | -160.7 | 161 | -173.7 | 101.7 | 0 | 0 | 0 | 0 | 112.1 | V1225 K1270 F1297 E1480 T1481 | V1225-S1484 WeakPolarHBondContact CG2-OG 3.21Å; K1270-S1484 WeakPolarHBondContact O-CB 3.21Å; K1270-S1484 PolarHBondContact O-OG 2.86Å; F1297-S1484 WeakPolarHBondContact CD1-OG 3.41Å; F1297-S1484 WeakPolarHBondContact CE1-O 3.21Å; E1480-S1484 CarbonylContact C-O 3.53Å; E1480-S1484 WeakPolarHBondContact CA-O 3.43Å; T1481-S1484 PolarHBondContact N-O 3.04Å; T1481-S1484 PolarHBondContact OG1-N 3.02Å; T1481-S1484 VanDerWaalsContact OG1-N 3.14Å; T1481-S1484 PolarHBondContact OG1-O 2.86Å; T1481-S1484 VanDerWaalsContact OG1-O 3.08Å | ||
| 1485 | T | 89.8 | Confident | 87.3 | Confident | 76.4 Ų | 76.4 | 55 Ų | 55 | 47% | 0.469 | 29% | 0.294 | S | S | . | . | B | Isolated β-bridge | trans | -105.6 | 139.3 | 172 | -50.8 | 0 | 0 | 0 | 0 | 109.4 | I1478 E1480 | I1478-T1485 HydrophobicContact CG2-CG2 3.81Å; E1480-T1485 HydrophobicContact CB-CG2 4.46Å |
| 1486 | A | 91.2 | Very high | 86.8 | Confident | 5.8 Ų | 5.8 | 61 Ų | 61 | 5% | 0.048 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -70 | 143 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1297 I1299 V1479 | F1297-A1486 VanDerWaalsContact CD1-CA 3.43Å; F1297-A1486 HydrophobicContact CD1-CB 3.7Å; F1297-A1486 HydrophobicContact CD2-CB 4.21Å; F1297-A1486 HydrophobicContact CE1-CB 3.68Å; F1297-A1486 HydrophobicContact CE2-CB 4.18Å; F1297-A1486 HydrophobicContact CG-CB 3.97Å; F1297-A1486 HydrophobicContact CZ-CB 3.91Å; F1297-A1486 CarbonylContact O-C 3.49Å; F1297-A1486 VanDerWaalsContact O-CA 3.29Å; F1297-A1486 WeakPolarHBondContact O-CA 3.38Å; I1299-A1486 HydrophobicContact CD1-CB 4.07Å; I1299-A1486 HydrophobicContact CG1-CB 3.73Å; V1479-A1486 HydrophobicContact CB-CB 4.02Å; V1479-A1486 HydrophobicContact CG1-CB 4.41Å; V1479-A1486 WeakPolarHBondContact O-CB 3.31Å; V1479-A1486 PolarHBondContact O-N 2.92Å |
| 1487 | I | 91.7 | Very high | 86.3 | Confident | 89.8 Ų | 89.8 | 60 Ų | 60 | 46% | 0.461 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 133.7 | 179.2 | -56.6 | -179.8 | 0 | 0 | 0 | 109.4 | N1272 F1297 E1298 I1299 T1489 | N1272-I1487 HydrophobicContact CB-CD1 4.19Å; N1272-I1487 WeakPolarHBondContact ND2-CD1 3.45Å; F1297-I1487 PolarHBondContact O-N 2.84Å; E1298-I1487 CarbonylContact C-O 3.55Å; E1298-I1487 WeakPolarHBondContact CA-O 3.41Å; E1298-I1487 VanDerWaalsContact CB-O 3.32Å; E1298-I1487 WeakPolarHBondContact CB-O 3.28Å; I1299-I1487 PolarHBondContact N-O 2.94Å; I1487-T1489 HydrophobicContact CG2-CG2 4.4Å; I1487-T1489 PolarHBondContact O-N 3.36Å |
| 1488 | H | 93.4 | Very high | 85.4 | Confident | 32.8 Ų | 32.8 | 65.6 Ų | 65.6 | 15% | 0.152 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 127.7 | 173.4 | -62.9 | -97.6 | 0 | 0 | 0 | 110.7 | E1476 L1477 I1491 H1522 | E1476-H1488 IonicContact OE1-NE2 2.72Å; L1477-H1488 PolarHBondContact O-CE1 3.02Å; L1477-H1488 PolarHBondContact O-NE2 3.03Å; L1477-H1488 VanDerWaalsContact O-NE2 3.15Å; H1488-I1491 HydrophobicContact CB-CD1 3.8Å; H1488-I1491 HydrophobicContact CB-CG1 4.15Å; H1488-H1522 PolarHBondContact CE1-N 3.05Å; H1488-H1522 VanDerWaalsContact CE1-N 3.35Å; H1488-H1522 AromaticContact CG-ND1 3.88Å; H1488-H1522 WeakPolarHBondContact ND1-CB 3.32Å; H1488-H1522 AromaticContact ND1-CD2 3.41Å; H1488-H1522 PolarHBondContact ND1-CD2 3.33Å; H1488-H1522 AromaticContact ND1-CG 3.66Å; H1488-H1522 PolarHBondContact ND1-N 3.11Å; H1488-H1522 AromaticContact ND1-ND1 3.26Å; H1488-H1522 PolarHBondContact ND1-ND1 2.94Å; H1488-H1522 VanDerWaalsContact ND1-ND1 3.16Å |
| 1489 | T | 91 | Very high | 84.4 | Confident | 32.2 Ų | 32.2 | 68.2 Ų | 68.2 | 20% | 0.198 | 36% | 0.362 | C | S | . | . | trans | -130.1 | 160.2 | 178.4 | 60 | 0 | 0 | 0 | 0 | 109.9 | E1298 I1299 I1487 I1491 H1522 | E1298-T1489 HydrophobicContact CB-CG2 4.02Å; E1298-T1489 HydrophobicContact CG-CG2 4.5Å; E1298-T1489 WeakPolarHBondContact OE2-CG2 3.47Å; I1299-T1489 PolarHBondContact O-N 3.05Å; I1299-T1489 VanDerWaalsContact O-O 3.14Å; I1299-T1489 PolarHBondContact O-OG1 2.93Å; I1487-T1489 HydrophobicContact CG2-CG2 4.4Å; I1487-T1489 PolarHBondContact O-N 3.36Å; T1489-I1491 VanDerWaalsContact C-N 3.27Å; T1489-I1491 PolarHBondContact O-N 2.99Å; T1489-I1491 VanDerWaalsContact O-N 3.13Å; T1489-H1522 PolarHBondContact O-CE1 2.99Å; T1489-H1522 VanDerWaalsContact O-CE1 3.23Å; T1489-H1522 PolarHBondContact O-NE2 3.07Å | ||
| 1490 | N | 88.3 | Confident | 83.3 | Confident | 134 Ų | 134 | 69.8 Ų | 69.8 | 72% | 0.717 | 37% | 0.37 | S | S | * | . | S | Bend | trans | 52.8 | 34.4 | 177 | -58.7 | -27.6 | 0 | 0 | 0 | 115 | P1492 | N1490-P1492 WeakPolarHBondContact O-CD 3.35Š|
| 1491 | I | 85.8 | Confident | 82.3 | Confident | 41 Ų | 41 | 73.1 Ų | 73.1 | 21% | 0.21 | 39% | 0.393 | C | S | . | . | trans | -64.9 | 124.4 | 179.7 | -52.8 | 136.9 | 0 | 0 | 0 | 108.6 | H1488 T1489 D1493 L1519 T1520 K1521 | H1488-I1491 HydrophobicContact CB-CD1 3.8Å; H1488-I1491 HydrophobicContact CB-CG1 4.15Å; T1489-I1491 VanDerWaalsContact C-N 3.27Å; T1489-I1491 PolarHBondContact O-N 2.99Å; T1489-I1491 VanDerWaalsContact O-N 3.13Å; I1491-D1493 PolarHBondContact O-N 3.28Å; I1491-L1519 WeakPolarHBondContact CG2-O 3.41Å; I1491-T1520 VanDerWaalsContact CD1-C 3.44Å; I1491-T1520 WeakPolarHBondContact CD1-O 3.41Å; I1491-K1521 VanDerWaalsContact CG2-O 3.24Å; I1491-K1521 WeakPolarHBondContact CG2-O 3.34Å | ||
| 1492 | P | 77.6 | Confident | 81.8 | Confident | 62 Ų | 62 | 73.5 Ų | 73.5 | 40% | 0.403 | 40% | 0.395 | S | S | . | . | trans | -63 | 136.4 | 179.6 | -21.8 | 32.2 | 0 | 0 | 0 | 112 | N1490 T1494 | N1490-P1492 WeakPolarHBondContact O-CD 3.35Å; P1492-T1494 HydrophobicContact CB-CG2 4.25Å; P1492-T1494 PolarHBondContact O-N 3.02Å | ||
| 1493 | D | 75.4 | Confident | 81.9 | Confident | 167.8 Ų | 167.8 | 68.1 Ų | 68.1 | 90% | 0.897 | 37% | 0.367 | S | S | * | . | trans | -67.2 | 21.3 | 174.8 | -71 | -34.1 | 0 | 0 | 0 | 113.8 | I1491 L1495 | I1491-D1493 PolarHBondContact O-N 3.28Å; D1493-L1495 PolarHBondContact O-N 2.97Å | ||
| 1494 | T | 78.6 | Confident | 81.5 | Confident | 65.4 Ų | 65.4 | 66.7 Ų | 66.7 | 40% | 0.401 | 39% | 0.388 | S | S | . | . | trans | -81.5 | 117 | -179 | 56.7 | 0 | 0 | 0 | 0 | 110.7 | P1492 Y1496 K1514 | P1492-T1494 HydrophobicContact CB-CG2 4.25Å; P1492-T1494 PolarHBondContact O-N 3.02Å; T1494-Y1496 VanDerWaalsContact C-N 3.3Å; T1494-Y1496 PolarHBondContact O-N 3Å; T1494-Y1496 VanDerWaalsContact O-N 3.09Å; T1494-K1514 VanDerWaalsContact O-CD 3.31Å; T1494-K1514 WeakPolarHBondContact O-CD 3.42Å; T1494-K1514 WeakPolarHBondContact O-CE 3.08Å; T1494-K1514 PolarHBondContact O-NZ 3.21Å; T1494-K1514 PolarHBondContact OG1-NZ 2.91Å | ||
| 1495 | L | 81.2 | Confident | 80.8 | Confident | 95 Ų | 95 | 67.6 Ų | 67.6 | 50% | 0.497 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -71.5 | -10.4 | 176 | -106.3 | 105.5 | 0 | 0 | 0 | 114 | D1493 T1513 K1514 L1519 | D1493-L1495 PolarHBondContact O-N 2.97Å; L1495-T1513 WeakPolarHBondContact O-CA 3.22Å; L1495-T1513 WeakPolarHBondContact O-CG2 3.34Å; L1495-K1514 WeakPolarHBondContact O-CB 3.12Å; L1495-K1514 PolarHBondContact O-N 3.14Å; L1495-L1519 HydrophobicContact CD1-CD2 4.26Å; L1495-L1519 HydrophobicContact CD2-CD2 4.13Å; L1495-L1519 HydrophobicContact CG-CD2 4.2Å |
| 1496 | Y | 83.1 | Confident | 79.8 | Confident | 125.4 Ų | 125.4 | 65.8 Ų | 65.8 | 49% | 0.492 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 152.4 | -172 | -54.6 | -81.8 | 0 | 0 | 0 | 110.8 | T1494 I1511 L1512 T1513 K1514 | T1494-Y1496 VanDerWaalsContact C-N 3.3Å; T1494-Y1496 PolarHBondContact O-N 3Å; T1494-Y1496 VanDerWaalsContact O-N 3.09Å; Y1496-I1511 HydrophobicContact CD1-CG2 3.75Å; Y1496-I1511 HydrophobicContact CE1-CG2 4.25Å; Y1496-I1511 HydrophobicContact CG-CG2 4Å; Y1496-L1512 CarbonylContact C-O 3.46Å; Y1496-L1512 VanDerWaalsContact CA-O 3.28Å; Y1496-L1512 WeakPolarHBondContact CA-O 3.33Å; Y1496-T1513 HydrophobicContact CD1-CG2 3.92Å; Y1496-T1513 HydrophobicContact CE1-CG2 3.63Å; Y1496-T1513 VanDerWaalsContact CE1-CG2 3.45Å; Y1496-T1513 WeakPolarHBondContact CE1-OG1 3.49Å; Y1496-K1514 WeakPolarHBondContact O-CE 3.4Å |
| 1497 | W | 82 | Confident | 79.1 | Confident | 6.6 Ų | 6.6 | 66.3 Ų | 66.3 | 3% | 0.025 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 138.3 | 163.1 | -61.4 | 99.1 | 0 | 0 | 0 | 109.3 | Q1305 I1306 M1474 S1499 L1512 K1514 L1518 G1523 V1525 | Q1305-W1497 HydrophobicContact CB-CE3 3.79Å; Q1305-W1497 HydrophobicContact CB-CZ3 3.66Å; Q1305-W1497 VanDerWaalsContact CB-CZ3 3.48Å; Q1305-W1497 HydrophobicContact CG-CE3 4.17Å; Q1305-W1497 HydrophobicContact CG-CZ3 4Å; I1306-W1497 HydrophobicContact CD1-CB 4.21Å; M1474-W1497 HydrophobicContact CB-CH2 4.06Å; M1474-W1497 HydrophobicContact CG-CH2 3.68Å; M1474-W1497 HydrophobicContact CG-CZ2 4.32Å; M1474-W1497 HydrophobicContact CG-CZ3 3.72Å; M1474-W1497 HydrophobicContact SD-CH2 3.93Å; M1474-W1497 HydrophobicContact SD-CZ3 3.61Å; W1497-S1499 PolarHBondContact O-N 2.91Å; W1497-L1512 HydrophobicContact CB-CB 4.34Å; W1497-L1512 HydrophobicContact CE3-CB 4.19Å; W1497-L1512 HydrophobicContact CE3-CD2 3.84Å; W1497-L1512 HydrophobicContact CE3-CG 4.06Å; W1497-L1512 HydrophobicContact CZ3-CD2 4.01Å; W1497-L1512 HydrophobicContact CZ3-CG 4.36Å; W1497-L1512 PolarHBondContact N-O 3.09Å; W1497-L1512 PolarHBondContact O-N 3.29Å; W1497-K1514 HydrophobicContact CD2-CD 4.38Å; W1497-K1514 HydrophobicContact CD2-CG 4.01Å; W1497-K1514 VanDerWaalsContact CE2-CG 3.48Å; W1497-K1514 HydrophobicContact CE3-CG 3.63Å; W1497-K1514 HydrophobicContact CG-CG 4.19Å; W1497-K1514 HydrophobicContact CH2-CB 4.4Å; W1497-K1514 HydrophobicContact CH2-CD 4.39Å; W1497-K1514 HydrophobicContact CH2-CG 3.8Å; W1497-K1514 HydrophobicContact CZ2-CD 4.27Å; W1497-K1514 HydrophobicContact CZ2-CG 4.01Å; W1497-K1514 HydrophobicContact CZ3-CB 4.18Å; W1497-K1514 HydrophobicContact CZ3-CG 3.6Å; W1497-K1514 VanDerWaalsContact NE1-CG 3.32Å; W1497-L1518 HydrophobicContact CH2-CD1 3.79Å; W1497-L1518 HydrophobicContact CZ2-CD1 3.92Å; W1497-G1523 VanDerWaalsContact CH2-C 3.44Å; W1497-G1523 VanDerWaalsContact CH2-O 3.24Å; W1497-G1523 WeakPolarHBondContact CH2-O 3.41Å; W1497-G1523 WeakPolarHBondContact CZ3-O 3.44Å; W1497-V1525 HydrophobicContact CB-CG1 4.46Å; W1497-V1525 HydrophobicContact CD2-CB 4.31Å; W1497-V1525 HydrophobicContact CD2-CG1 3.85Å; W1497-V1525 HydrophobicContact CD2-CG2 3.88Å; W1497-V1525 VanDerWaalsContact CE2-CG2 3.49Å; W1497-V1525 HydrophobicContact CE3-CB 4.36Å; W1497-V1525 HydrophobicContact CE3-CG1 4.13Å; W1497-V1525 HydrophobicContact CE3-CG2 4.41Å; W1497-V1525 HydrophobicContact CG-CG1 4.06Å; W1497-V1525 HydrophobicContact CG-CG2 4.1Å; W1497-V1525 HydrophobicContact CH2-CB 4.2Å; W1497-V1525 HydrophobicContact CH2-CG1 4.48Å; W1497-V1525 HydrophobicContact CZ2-CB 4.21Å; W1497-V1525 HydrophobicContact CZ2-CG2 4.05Å; W1497-V1525 HydrophobicContact CZ3-CB 4.32Å; W1497-V1525 HydrophobicContact CZ3-CG1 4.14Å |
| 1498 | D | 75.3 | Confident | 78.3 | Confident | 118.6 Ų | 118.6 | 68.6 Ų | 68.6 | 63% | 0.634 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 146.5 | 179.7 | -67.1 | -33.6 | 0 | 0 | 0 | 111.4 | I1306 L1500 R1527 | I1306-D1498 WeakPolarHBondContact CD1-O 3.35Å; D1498-L1500 PolarHBondContact O-N 3.19Å; D1498-R1527 PolarHBondContact O-NH1 2.81Å |
| 1499 | S | 73.2 | Confident | 77.8 | Confident | 68.8 Ų | 68.8 | 67.5 Ų | 67.5 | 48% | 0.481 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 134.7 | 171.5 | 42.6 | 0 | 0 | 0 | 0 | 110.1 | W1497 T1501 C1509 I1511 | W1497-S1499 PolarHBondContact O-N 2.91Å; S1499-T1501 PolarHBondContact O-N 3.19Å; S1499-C1509 CarbonylContact C-O 3.51Å; S1499-C1509 WeakPolarHBondContact CA-O 3.46Å; S1499-C1509 VanDerWaalsContact CB-O 3.27Å; S1499-C1509 WeakPolarHBondContact CB-O 3.35Å; S1499-C1509 PolarHBondContact OG-O 2.97Å; S1499-I1511 VanDerWaalsContact OG-CG1 3.29Å; S1499-I1511 WeakPolarHBondContact OG-CG1 3.2Å |
| 1500 | L | 73.2 | Confident | 77.3 | Confident | 35 Ų | 35 | 73.9 Ų | 73.9 | 18% | 0.183 | 44% | 0.436 | C | S | . | . | trans | -94.3 | 118 | 176 | -171.4 | 65 | 0 | 0 | 0 | 109.5 | I1306 D1498 T1502 F1507 N1508 C1509 A1530 L1613 | I1306-L1500 HydrophobicContact CD1-CB 4.11Å; I1306-L1500 HydrophobicContact CD1-CD1 4.33Å; I1306-L1500 HydrophobicContact CD1-CD2 3.93Å; I1306-L1500 HydrophobicContact CD1-CG 4.24Å; I1306-L1500 HydrophobicContact CG1-CD2 4.32Å; I1306-L1500 HydrophobicContact CG2-CD2 4.21Å; D1498-L1500 PolarHBondContact O-N 3.19Å; L1500-T1502 HydrophobicContact CD1-CG2 3.93Å; L1500-T1502 HydrophobicContact CG-CG2 4.18Å; L1500-F1507 HydrophobicContact CD2-CD2 4.21Å; L1500-N1508 WeakPolarHBondContact O-CA 3.45Å; L1500-C1509 HydrophobicContact CB-CB 4.03Å; L1500-C1509 PolarHBondContact N-O 3.03Å; L1500-C1509 VanDerWaalsContact N-O 3.09Å; L1500-C1509 PolarHBondContact O-N 3.44Å; L1500-A1530 HydrophobicContact CD2-CB 3.99Å; L1500-A1530 VanDerWaalsContact CD2-CB 3.4Å; L1500-L1613 HydrophobicContact CD1-CD2 4.02Å; L1500-L1613 HydrophobicContact CD2-CD2 3.44Å; L1500-L1613 VanDerWaalsContact CD2-CD2 3.44Å; L1500-L1613 HydrophobicContact CD2-CG 4.44Å; L1500-L1613 HydrophobicContact CG-CD2 4.23Å | ||
| 1501 | T | 70.9 | Confident | 77.2 | Confident | 104.8 Ų | 104.8 | 73 Ų | 73 | 64% | 0.643 | 43% | 0.43 | S | S | * | . | trans | -122.6 | 94.9 | 173.4 | 31.4 | 0 | 0 | 0 | 0 | 109.6 | S1499 F1507 | S1499-T1501 PolarHBondContact O-N 3.19Å; T1501-F1507 VanDerWaalsContact CA-O 3.29Å; T1501-F1507 WeakPolarHBondContact CA-O 3.38Å | ||
| 1502 | T | 74.9 | Confident | 77.1 | Confident | 20.4 Ų | 20.4 | 72.6 Ų | 72.6 | 13% | 0.125 | 43% | 0.428 | C | S | . | . | trans | -123.1 | 164.5 | 176.2 | 47.8 | 0 | 0 | 0 | 0 | 110.8 | L1500 G1504 G1505 G1506 F1507 D1612 L1613 | L1500-T1502 HydrophobicContact CD1-CG2 3.93Å; L1500-T1502 HydrophobicContact CG-CG2 4.18Å; T1502-G1504 PolarHBondContact O-N 3.1Å; T1502-G1505 PolarHBondContact O-N 3Å; T1502-G1505 VanDerWaalsContact O-N 3.11Å; T1502-G1506 PolarHBondContact O-N 2.77Å; T1502-F1507 HydrophobicContact CG2-CB 4.04Å; T1502-F1507 HydrophobicContact CG2-CD2 3.93Å; T1502-F1507 HydrophobicContact CG2-CG 4.42Å; T1502-F1507 PolarHBondContact N-O 2.8Å; T1502-F1507 PolarHBondContact O-N 3.47Å; T1502-D1612 HydrophobicContact CG2-CB 4.16Å; T1502-L1613 HydrophobicContact CG2-CD1 3.96Å; T1502-L1613 HydrophobicContact CG2-CD2 4.14Å; T1502-L1613 HydrophobicContact CG2-CG 4.3Å | ||
| 1503 | C | 81.4 | Confident | 77.5 | Confident | 9.8 Ų | 9.8 | 73.6 Ų | 73.6 | 7% | 0.066 | 43% | 0.433 | C | S | . | . | G | 310 helix | trans | 54.7 | 51.1 | 176.8 | -51.4 | 0 | 0 | 0 | 0 | 114.4 | G1505 G1506 F1507 V1554 N1557 C1558 H1610 | C1503-G1505 VanDerWaalsContact C-N 3.29Å; C1503-G1505 PolarHBondContact O-N 3.09Å; C1503-G1505 VanDerWaalsContact O-N 3.07Å; C1503-G1506 PolarHBondContact O-N 3.08Å; C1503-F1507 HydrophobicContact CB-CD2 4.13Å; C1503-F1507 HydrophobicContact CB-CE2 4.23Å; C1503-V1554 HydrophobicContact CB-CG1 4.09Å; C1503-V1554 WeakPolarHBondContact CB-O 3.44Å; C1503-N1557 HydrophobicContact CB-CB 4.44Å; C1503-C1558 HydrophobicContact CB-CB 3.7Å; C1503-C1558 WeakPolarHBondContact CB-SG 3.29Å; C1503-C1558 WeakPolarHBondContact SG-CB 3.35Å; C1503-C1558 CovalentContact SG-SG 2.03Å; C1503-C1558 PolarHBondContact SG-SG 3.05Å; C1503-H1610 PolarHBondContact SG-NE2 3.07Å; C1503-H1610 VanDerWaalsContact SG-NE2 3.43Å |
| 1504 | G | 69.6 | Low | 78 | Confident | 87.6 Ų | 87.6 | 66.5 Ų | 66.5 | 90% | 0.903 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | 70.6 | 5.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | T1502 | T1502-G1504 PolarHBondContact O-N 3.1Š|
| 1505 | G | 68.2 | Low | 78.4 | Confident | 41.4 Ų | 41.4 | 64.6 Ų | 64.6 | 43% | 0.427 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | 108.2 | 6.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1502 C1503 F1507 N1508 | T1502-G1505 PolarHBondContact O-N 3Å; T1502-G1505 VanDerWaalsContact O-N 3.11Å; C1503-G1505 VanDerWaalsContact C-N 3.29Å; C1503-G1505 PolarHBondContact O-N 3.09Å; C1503-G1505 VanDerWaalsContact O-N 3.07Å; G1505-F1507 VanDerWaalsContact C-N 3.34Å; G1505-F1507 PolarHBondContact O-N 3.19Å; G1505-N1508 PolarHBondContact O-ND2 3.33Å |
| 1506 | G | 69.7 | Low | 78.5 | Confident | 38.4 Ų | 38.4 | 64.3 Ų | 64.3 | 40% | 0.396 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -19.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1502 C1503 N1508 | T1502-G1506 PolarHBondContact O-N 2.77Å; C1503-G1506 PolarHBondContact O-N 3.08Å; G1506-N1508 PolarHBondContact O-N 2.83Å |
| 1507 | F | 76.3 | Confident | 78.6 | Confident | 16.4 Ų | 16.4 | 63.1 Ų | 63.1 | 7% | 0.072 | 39% | 0.388 | C | S | . | . | trans | -91.1 | 105.4 | 168.6 | -64.1 | -74.6 | 0 | 0 | 0 | 109.5 | L1500 T1501 T1502 C1503 G1505 C1509 C1529 P1532 V1554 L1555 L1613 | L1500-F1507 HydrophobicContact CD2-CD2 4.21Å; T1501-F1507 VanDerWaalsContact CA-O 3.29Å; T1501-F1507 WeakPolarHBondContact CA-O 3.38Å; T1502-F1507 HydrophobicContact CG2-CB 4.04Å; T1502-F1507 HydrophobicContact CG2-CD2 3.93Å; T1502-F1507 HydrophobicContact CG2-CG 4.42Å; T1502-F1507 PolarHBondContact N-O 2.8Å; T1502-F1507 PolarHBondContact O-N 3.47Å; C1503-F1507 HydrophobicContact CB-CD2 4.13Å; C1503-F1507 HydrophobicContact CB-CE2 4.23Å; G1505-F1507 VanDerWaalsContact C-N 3.34Å; G1505-F1507 PolarHBondContact O-N 3.19Å; F1507-C1509 PolarHBondContact O-N 2.88Å; F1507-C1509 VanDerWaalsContact O-N 3.09Å; F1507-C1529 WeakPolarHBondContact CB-O 3.04Å; F1507-C1529 WeakPolarHBondContact CD1-O 3.32Å; F1507-C1529 WeakPolarHBondContact CG-O 3.35Å; F1507-P1532 HydrophobicContact CE1-CB 4.35Å; F1507-P1532 HydrophobicContact CE1-CG 4.36Å; F1507-P1532 HydrophobicContact CE2-CG 4.38Å; F1507-P1532 HydrophobicContact CZ-CB 3.91Å; F1507-P1532 HydrophobicContact CZ-CG 3.94Å; F1507-V1554 HydrophobicContact CD1-CG1 4.19Å; F1507-V1554 HydrophobicContact CD2-CG1 3.55Å; F1507-V1554 VanDerWaalsContact CD2-CG1 3.45Å; F1507-V1554 HydrophobicContact CE1-CB 4.33Å; F1507-V1554 HydrophobicContact CE1-CG1 3.82Å; F1507-V1554 HydrophobicContact CE1-CG2 4.32Å; F1507-V1554 HydrophobicContact CE2-CB 4.18Å; F1507-V1554 HydrophobicContact CE2-CG1 3.33Å; F1507-V1554 HydrophobicContact CG-CG1 4.02Å; F1507-V1554 HydrophobicContact CZ-CB 3.99Å; F1507-V1554 HydrophobicContact CZ-CG1 3.36Å; F1507-V1554 VanDerWaalsContact CZ-CG1 3.42Å; F1507-V1554 HydrophobicContact CZ-CG2 4.26Å; F1507-L1555 HydrophobicContact CE2-CD2 4.12Å; F1507-L1555 HydrophobicContact CZ-CD2 4.11Å; F1507-L1555 HydrophobicContact CZ-CG 4.45Å; F1507-L1613 HydrophobicContact CD2-CD1 3.8Å; F1507-L1613 HydrophobicContact CD2-CD2 4.05Å; F1507-L1613 HydrophobicContact CD2-CG 4.47Å; F1507-L1613 HydrophobicContact CE2-CD1 3.38Å; F1507-L1613 HydrophobicContact CE2-CD2 3.96Å; F1507-L1613 HydrophobicContact CE2-CG 4.27Å; F1507-L1613 HydrophobicContact CG-CD1 4.2Å; F1507-L1613 HydrophobicContact CG-CD2 4.26Å; F1507-L1613 HydrophobicContact CZ-CD1 3.97Å; F1507-L1613 HydrophobicContact CZ-CD2 4.41Å | ||
| 1508 | N | 75.1 | Confident | 78.8 | Confident | 136.4 Ų | 136.4 | 62.9 Ų | 62.9 | 73% | 0.729 | 39% | 0.387 | S | S | * | . | trans | -99.2 | 91.7 | 177.1 | -131.5 | -6.2 | 0 | 0 | 0 | 110.5 | L1500 G1505 G1506 | L1500-N1508 WeakPolarHBondContact O-CA 3.45Å; G1505-N1508 PolarHBondContact O-ND2 3.33Å; G1506-N1508 PolarHBondContact O-N 2.83Å | ||
| 1509 | C | 82 | Confident | 79.3 | Confident | 11.2 Ų | 11.2 | 61.2 Ų | 61.2 | 8% | 0.076 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -98.8 | 127.1 | 175.7 | -73.4 | 0 | 0 | 0 | 0 | 110.8 | S1499 L1500 F1507 C1529 A1530 | S1499-C1509 CarbonylContact C-O 3.51Å; S1499-C1509 WeakPolarHBondContact CA-O 3.46Å; S1499-C1509 VanDerWaalsContact CB-O 3.27Å; S1499-C1509 WeakPolarHBondContact CB-O 3.35Å; S1499-C1509 PolarHBondContact OG-O 2.97Å; L1500-C1509 HydrophobicContact CB-CB 4.03Å; L1500-C1509 PolarHBondContact N-O 3.03Å; L1500-C1509 VanDerWaalsContact N-O 3.09Å; L1500-C1509 PolarHBondContact O-N 3.44Å; F1507-C1509 PolarHBondContact O-N 2.88Å; F1507-C1509 VanDerWaalsContact O-N 3.09Å; C1509-C1529 VanDerWaalsContact CA-SG 3.53Å; C1509-C1529 WeakPolarHBondContact CA-SG 3.45Å; C1509-C1529 HydrophobicContact CB-CB 4.17Å; C1509-C1529 WeakPolarHBondContact CB-SG 3.35Å; C1509-C1529 WeakPolarHBondContact SG-CB 3.27Å; C1509-C1529 CovalentContact SG-SG 2.03Å; C1509-C1529 PolarHBondContact SG-SG 2.97Å; C1509-A1530 PolarHBondContact SG-N 3.09Å; C1509-A1530 VanDerWaalsContact SG-N 3.44Å |
| 1510 | E | 82.1 | Confident | 80 | Confident | 166.6 Ų | 166.6 | 62.6 Ų | 62.6 | 78% | 0.779 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 150.6 | 172.7 | -64.1 | -172 | 170.8 | 0 | 0 | 111.6 | L1512 R1527 | E1510-L1512 PolarHBondContact O-N 2.9Å; E1510-R1527 VanDerWaalsContact O-CZ 3.29Å; E1510-R1527 PolarHBondContact O-NH1 2.99Å; E1510-R1527 VanDerWaalsContact O-NH1 3.09Å; E1510-R1527 PolarHBondContact O-NH2 2.99Å; E1510-R1527 VanDerWaalsContact O-NH2 3.09Å |
| 1511 | I | 84.4 | Confident | 80.8 | Confident | 114.8 Ų | 114.8 | 64.1 Ų | 64.1 | 59% | 0.589 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 123 | 177.8 | -61.4 | 173.3 | 0 | 0 | 0 | 109.3 | Y1496 S1499 | Y1496-I1511 HydrophobicContact CD1-CG2 3.75Å; Y1496-I1511 HydrophobicContact CE1-CG2 4.25Å; Y1496-I1511 HydrophobicContact CG-CG2 4Å; S1499-I1511 VanDerWaalsContact OG-CG1 3.29Å; S1499-I1511 WeakPolarHBondContact OG-CG1 3.2Å |
| 1512 | L | 85.1 | Confident | 81.9 | Confident | 32.8 Ų | 32.8 | 59.3 Ų | 59.3 | 17% | 0.172 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 135.6 | 178.7 | -108 | 136.5 | 0 | 0 | 0 | 111.1 | D1472 M1474 Y1496 W1497 E1510 V1525 R1527 | D1472-L1512 HydrophobicContact CB-CD1 4.22Å; D1472-L1512 HydrophobicContact CB-CD2 4.17Å; D1472-L1512 WeakPolarHBondContact OD2-CD1 3.42Å; M1474-L1512 HydrophobicContact CE-CB 4.4Å; M1474-L1512 HydrophobicContact CE-CD1 4.22Å; M1474-L1512 HydrophobicContact CE-CD2 4.2Å; M1474-L1512 HydrophobicContact CE-CG 4.25Å; M1474-L1512 HydrophobicContact CG-CD2 4.15Å; M1474-L1512 HydrophobicContact SD-CD2 4.17Å; Y1496-L1512 CarbonylContact C-O 3.46Å; Y1496-L1512 VanDerWaalsContact CA-O 3.28Å; Y1496-L1512 WeakPolarHBondContact CA-O 3.33Å; W1497-L1512 HydrophobicContact CB-CB 4.34Å; W1497-L1512 HydrophobicContact CE3-CB 4.19Å; W1497-L1512 HydrophobicContact CE3-CD2 3.84Å; W1497-L1512 HydrophobicContact CE3-CG 4.06Å; W1497-L1512 HydrophobicContact CZ3-CD2 4.01Å; W1497-L1512 HydrophobicContact CZ3-CG 4.36Å; W1497-L1512 PolarHBondContact N-O 3.09Å; W1497-L1512 PolarHBondContact O-N 3.29Å; E1510-L1512 PolarHBondContact O-N 2.9Å; L1512-V1525 HydrophobicContact CD1-CG1 3.95Å; L1512-V1525 HydrophobicContact CD2-CG2 3.88Å; L1512-R1527 VanDerWaalsContact CD1-NE 3.27Å; L1512-R1527 VanDerWaalsContact CD1-NH2 3.35Å |
| 1513 | T | 86.4 | Confident | 82.7 | Confident | 82.8 Ų | 82.8 | 58.3 Ų | 58.3 | 51% | 0.508 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 137.2 | 170.8 | 4.3 | 0 | 0 | 0 | 0 | 110.9 | L1495 Y1496 | L1495-T1513 WeakPolarHBondContact O-CA 3.22Å; L1495-T1513 WeakPolarHBondContact O-CG2 3.34Å; Y1496-T1513 HydrophobicContact CD1-CG2 3.92Å; Y1496-T1513 HydrophobicContact CE1-CG2 3.63Å; Y1496-T1513 VanDerWaalsContact CE1-CG2 3.45Å; Y1496-T1513 WeakPolarHBondContact CE1-OG1 3.49Å |
| 1514 | K | 85.9 | Confident | 83.2 | Confident | 17.6 Ų | 17.6 | 57.9 Ų | 57.9 | 8% | 0.077 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -73 | 128.6 | 172.2 | -85.5 | -176.8 | -170.5 | 171.2 | 0 | 109.6 | T1494 L1495 Y1496 W1497 L1518 L1519 K1521 | T1494-K1514 VanDerWaalsContact O-CD 3.31Å; T1494-K1514 WeakPolarHBondContact O-CD 3.42Å; T1494-K1514 WeakPolarHBondContact O-CE 3.08Å; T1494-K1514 PolarHBondContact O-NZ 3.21Å; T1494-K1514 PolarHBondContact OG1-NZ 2.91Å; L1495-K1514 WeakPolarHBondContact O-CB 3.12Å; L1495-K1514 PolarHBondContact O-N 3.14Å; Y1496-K1514 WeakPolarHBondContact O-CE 3.4Å; W1497-K1514 HydrophobicContact CD2-CD 4.38Å; W1497-K1514 HydrophobicContact CD2-CG 4.01Å; W1497-K1514 VanDerWaalsContact CE2-CG 3.48Å; W1497-K1514 HydrophobicContact CE3-CG 3.63Å; W1497-K1514 HydrophobicContact CG-CG 4.19Å; W1497-K1514 HydrophobicContact CH2-CB 4.4Å; W1497-K1514 HydrophobicContact CH2-CD 4.39Å; W1497-K1514 HydrophobicContact CH2-CG 3.8Å; W1497-K1514 HydrophobicContact CZ2-CD 4.27Å; W1497-K1514 HydrophobicContact CZ2-CG 4.01Å; W1497-K1514 HydrophobicContact CZ3-CB 4.18Å; W1497-K1514 HydrophobicContact CZ3-CG 3.6Å; W1497-K1514 VanDerWaalsContact NE1-CG 3.32Å; K1514-L1518 WeakPolarHBondContact CE-O 3.41Å; K1514-L1518 HydrophobicContact CG-CB 4.02Å; K1514-L1518 PolarHBondContact NZ-O 3.3Å; K1514-L1519 HydrophobicContact CB-CD2 4.36Å; K1514-L1519 HydrophobicContact CD-CD2 4.45Å; K1514-K1521 PolarHBondContact NZ-O 3.35Å |
| 1515 | P | 86 | Confident | 84.2 | Confident | 25.8 Ų | 25.8 | 53.7 Ų | 53.7 | 17% | 0.168 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 157 | 174.9 | 26.3 | -30 | 0 | 0 | 0 | 110.6 | I1333 V1335 M1474 E1517 L1518 L1519 | I1333-P1515 HydrophobicContact CD1-CB 4.24Å; I1333-P1515 HydrophobicContact CD1-CG 3.28Å; I1333-P1515 VanDerWaalsContact CD1-CG 3.45Å; V1335-P1515 HydrophobicContact CG1-CB 4.09Å; V1335-P1515 HydrophobicContact CG1-CG 4.04Å; M1474-P1515 VanDerWaalsContact SD-CD 3.57Å; M1474-P1515 HydrophobicContact SD-CG 3.77Å; P1515-E1517 PolarHBondContact O-N 3.13Å; P1515-E1517 VanDerWaalsContact O-N 3.12Å; P1515-L1518 HydrophobicContact CG-CB 4.35Å; P1515-L1518 HydrophobicContact CG-CD1 4Å; P1515-L1518 HydrophobicContact CG-CG 4.2Å; P1515-L1518 PolarHBondContact O-N 3.15Å; P1515-L1519 PolarHBondContact O-N 2.98Å |
| 1516 | S | 84.6 | Confident | 85.3 | Confident | 89.6 Ų | 89.6 | 51.8 Ų | 51.8 | 63% | 0.627 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -52 | -34.9 | -177.3 | 38.9 | 0 | 0 | 0 | 0 | 113.7 | L1518 L1519 | S1516-L1518 VanDerWaalsContact C-N 3.29Å; S1516-L1518 PolarHBondContact O-N 2.94Å; S1516-L1519 WeakPolarHBondContact O-CB 3.28Å; S1516-L1519 PolarHBondContact O-N 2.71Å; S1516-L1519 VanDerWaalsContact O-N 3.14Å |
| 1517 | E | 83.3 | Confident | 86.2 | Confident | 100.2 Ų | 100.2 | 50.3 Ų | 50.3 | 47% | 0.468 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -66.6 | -26.3 | 179.9 | -65.7 | 130.2 | 177.8 | 0 | 0 | 113.2 | P1515 | P1515-E1517 PolarHBondContact O-N 3.13Å; P1515-E1517 VanDerWaalsContact O-N 3.12Å |
| 1518 | L | 87.9 | Confident | 86.7 | Confident | 2.6 Ų | 2.6 | 50.2 Ų | 50.2 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -100.4 | 4.2 | 178.5 | -66.2 | 177.6 | 0 | 0 | 0 | 113 | I1333 M1474 E1476 W1497 K1514 P1515 S1516 T1520 K1521 | I1333-L1518 HydrophobicContact CD1-CD1 3.62Å; I1333-L1518 VanDerWaalsContact CD1-CD1 3.47Å; I1333-L1518 HydrophobicContact CD1-CG 3.87Å; I1333-L1518 HydrophobicContact CG1-CD1 4.37Å; I1333-L1518 HydrophobicContact CG2-CD2 4.41Å; M1474-L1518 HydrophobicContact CB-CD1 4.32Å; E1476-L1518 HydrophobicContact CB-CD2 4.18Å; W1497-L1518 HydrophobicContact CH2-CD1 3.79Å; W1497-L1518 HydrophobicContact CZ2-CD1 3.92Å; K1514-L1518 WeakPolarHBondContact CE-O 3.41Å; K1514-L1518 HydrophobicContact CG-CB 4.02Å; K1514-L1518 PolarHBondContact NZ-O 3.3Å; P1515-L1518 HydrophobicContact CG-CB 4.35Å; P1515-L1518 HydrophobicContact CG-CD1 4Å; P1515-L1518 HydrophobicContact CG-CG 4.2Å; P1515-L1518 PolarHBondContact O-N 3.15Å; S1516-L1518 VanDerWaalsContact C-N 3.29Å; S1516-L1518 PolarHBondContact O-N 2.94Å; L1518-T1520 VanDerWaalsContact C-N 3.3Å; L1518-T1520 PolarHBondContact O-N 3.08Å; L1518-K1521 HydrophobicContact CD2-CB 4.27Å; L1518-K1521 PolarHBondContact O-N 2.85Å; L1518-K1521 VanDerWaalsContact O-N 3.13Å |
| 1519 | L | 85.4 | Confident | 87.2 | Confident | 81.2 Ų | 81.2 | 46.1 Ų | 46.1 | 43% | 0.425 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -70.3 | -26.6 | 172 | -65.6 | 176.5 | 0 | 0 | 0 | 112.1 | I1491 L1495 K1514 P1515 S1516 | I1491-L1519 WeakPolarHBondContact CG2-O 3.41Å; L1495-L1519 HydrophobicContact CD1-CD2 4.26Å; L1495-L1519 HydrophobicContact CD2-CD2 4.13Å; L1495-L1519 HydrophobicContact CG-CD2 4.2Å; K1514-L1519 HydrophobicContact CB-CD2 4.36Å; K1514-L1519 HydrophobicContact CD-CD2 4.45Å; P1515-L1519 PolarHBondContact O-N 2.98Å; S1516-L1519 WeakPolarHBondContact O-CB 3.28Å; S1516-L1519 PolarHBondContact O-N 2.71Å; S1516-L1519 VanDerWaalsContact O-N 3.14Å |
| 1520 | T | 87.2 | Confident | 87.5 | Confident | 99 Ų | 99 | 45.6 Ų | 45.6 | 61% | 0.607 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -109.9 | 11.7 | 179.5 | 59.6 | 0 | 0 | 0 | 0 | 113 | I1491 L1518 | I1491-T1520 VanDerWaalsContact CD1-C 3.44Å; I1491-T1520 WeakPolarHBondContact CD1-O 3.41Å; L1518-T1520 VanDerWaalsContact C-N 3.3Å; L1518-T1520 PolarHBondContact O-N 3.08Å |
| 1521 | K | 91.2 | Very high | 87.9 | Confident | 66.4 Ų | 66.4 | 37.9 Ų | 37.9 | 29% | 0.289 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -141.3 | 153.2 | -177.9 | -59.8 | -169.2 | -178.7 | -171.6 | 0 | 111.8 | E1476 I1491 K1514 L1518 G1523 | E1476-K1521 VanDerWaalsContact CD-CD 3.44Å; E1476-K1521 HydrophobicContact CG-CB 4.45Å; E1476-K1521 HydrophobicContact CG-CD 3.82Å; E1476-K1521 VanDerWaalsContact OE1-CD 3.22Å; E1476-K1521 WeakPolarHBondContact OE1-CD 3.35Å; E1476-K1521 WeakPolarHBondContact OE1-CE 3.27Å; E1476-K1521 IonicContact OE1-NZ 3.5Å; E1476-K1521 PolarHBondContact OE1-NZ 3Å; E1476-K1521 WeakPolarHBondContact OE2-CD 3.45Å; E1476-K1521 IonicContact OE2-NZ 3.68Å; E1476-K1521 PolarHBondContact OE2-NZ 2.77Å; I1491-K1521 VanDerWaalsContact CG2-O 3.24Å; I1491-K1521 WeakPolarHBondContact CG2-O 3.34Å; K1514-K1521 PolarHBondContact NZ-O 3.35Å; L1518-K1521 HydrophobicContact CD2-CB 4.27Å; L1518-K1521 PolarHBondContact O-N 2.85Å; L1518-K1521 VanDerWaalsContact O-N 3.13Å; K1521-G1523 PolarHBondContact O-N 3.15Å |
| 1522 | H | 93.1 | Very high | 88.2 | Confident | 3.4 Ų | 3.4 | 32.5 Ų | 32.5 | 2% | 0.016 | 19% | 0.188 | C | C | . | . | trans | -75.1 | 135.7 | 167.4 | -67 | 114.8 | 0 | 0 | 0 | 109 | I1299 A1300 G1301 I1302 L1477 H1488 T1489 | I1299-H1522 HydrophobicContact CG2-CB 4.48Å; I1299-H1522 WeakPolarHBondContact CG2-ND1 3.27Å; I1299-H1522 PolarHBondContact O-CD2 2.76Å; I1299-H1522 PolarHBondContact O-CE1 3.14Å; I1299-H1522 VanDerWaalsContact O-CE1 3.24Å; I1299-H1522 PolarHBondContact O-ND1 3.03Å; I1299-H1522 PolarHBondContact O-NE2 2.76Å; A1300-H1522 VanDerWaalsContact C-CE1 3.45Å; A1300-H1522 VanDerWaalsContact C-NE2 3.3Å; A1300-H1522 PolarHBondContact O-CE1 2.88Å; A1300-H1522 VanDerWaalsContact O-CE1 3.27Å; A1300-H1522 PolarHBondContact O-NE2 3.01Å; G1301-H1522 PolarHBondContact N-CE1 3.28Å; I1302-H1522 HydrophobicContact CG2-CB 4.04Å; L1477-H1522 HydrophobicContact CB-CB 4.28Å; L1477-H1522 WeakPolarHBondContact CB-O 3.35Å; L1477-H1522 HydrophobicContact CD2-CB 4.15Å; L1477-H1522 PolarHBondContact N-O 3.16Å; H1488-H1522 PolarHBondContact CE1-N 3.05Å; H1488-H1522 VanDerWaalsContact CE1-N 3.35Å; H1488-H1522 AromaticContact CG-ND1 3.88Å; H1488-H1522 WeakPolarHBondContact ND1-CB 3.32Å; H1488-H1522 AromaticContact ND1-CD2 3.41Å; H1488-H1522 PolarHBondContact ND1-CD2 3.33Å; H1488-H1522 AromaticContact ND1-CG 3.66Å; H1488-H1522 PolarHBondContact ND1-N 3.11Å; H1488-H1522 AromaticContact ND1-ND1 3.26Å; H1488-H1522 PolarHBondContact ND1-ND1 2.94Å; H1488-H1522 VanDerWaalsContact ND1-ND1 3.16Å; T1489-H1522 PolarHBondContact O-CE1 2.99Å; T1489-H1522 VanDerWaalsContact O-CE1 3.23Å; T1489-H1522 PolarHBondContact O-NE2 3.07Å | ||
| 1523 | G | 91.4 | Very high | 88.4 | Confident | 1.2 Ų | 1.2 | 34.2 Ų | 34.2 | 1% | 0.012 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 166.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q1305 T1475 W1497 K1521 | Q1305-G1523 PolarHBondContact NE2-O 3.49Å; Q1305-G1523 VanDerWaalsContact NE2-O 3.15Å; T1475-G1523 CarbonylContact O-C 3.54Å; T1475-G1523 WeakPolarHBondContact O-CA 3.42Å; W1497-G1523 VanDerWaalsContact CH2-C 3.44Å; W1497-G1523 VanDerWaalsContact CH2-O 3.24Å; W1497-G1523 WeakPolarHBondContact CH2-O 3.41Å; W1497-G1523 WeakPolarHBondContact CZ3-O 3.44Å; K1521-G1523 PolarHBondContact O-N 3.15Å |
| 1524 | F | 91.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 142.7 | 173.5 | -176.7 | -91.4 | 0 | 0 | 0 | 108.5 | I1302 Q1305 I1306 G1307 Q1313 V1315 M1330 T1362 T1475 Y1526 | I1302-F1524 HydrophobicContact CD1-CB 4.29Å; I1302-F1524 HydrophobicContact CD1-CD2 4.18Å; Q1305-F1524 VanDerWaalsContact C-CD2 3.45Å; Q1305-F1524 CarbonylContact O-C 3.52Å; Q1305-F1524 WeakPolarHBondContact O-CA 3.39Å; Q1305-F1524 WeakPolarHBondContact O-CD2 3.43Å; I1306-F1524 VanDerWaalsContact C-CZ 3.47Å; I1306-F1524 WeakPolarHBondContact O-CE2 2.95Å; G1307-F1524 VanDerWaalsContact N-CZ 3.32Å; Q1313-F1524 HydrophobicContact CB-CZ 4.27Å; Q1313-F1524 HydrophobicContact CG-CE2 4.32Å; Q1313-F1524 HydrophobicContact CG-CZ 4.27Å; V1315-F1524 HydrophobicContact CG1-CD2 4.03Å; V1315-F1524 HydrophobicContact CG1-CE2 3.6Å; V1315-F1524 HydrophobicContact CG1-CZ 4.41Å; V1315-F1524 HydrophobicContact CG2-CD2 4.3Å; V1315-F1524 HydrophobicContact CG2-CE2 3.81Å; V1315-F1524 HydrophobicContact CG2-CZ 4.41Å; M1330-F1524 HydrophobicContact CE-CB 3.94Å; M1330-F1524 HydrophobicContact CE-CD1 4.36Å; M1330-F1524 HydrophobicContact CE-CD2 4.34Å; M1330-F1524 HydrophobicContact CE-CG 4.03Å; M1330-F1524 HydrophobicContact SD-CB 3.69Å; M1330-F1524 HydrophobicContact SD-CD1 4.47Å; M1330-F1524 HydrophobicContact SD-CG 4.26Å; T1362-F1524 HydrophobicContact CG2-CE1 4.11Å; T1362-F1524 HydrophobicContact CG2-CE2 4.44Å; T1362-F1524 HydrophobicContact CG2-CZ 4Å; T1475-F1524 WeakPolarHBondContact CA-O 3.36Å; T1475-F1524 WeakPolarHBondContact CB-O 3.24Å; T1475-F1524 PolarHBondContact N-O 3.04Å; T1475-F1524 PolarHBondContact O-N 3.01Å; T1475-F1524 PolarHBondContact OG1-O 3.07Å; F1524-Y1526 HydrophobicContact CD1-CD1 4.4Å; F1524-Y1526 AromaticContact CD1-CD2 3.76Å; F1524-Y1526 HydrophobicContact CD1-CD2 4.01Å; F1524-Y1526 HydrophobicContact CD1-CE1 4.38Å; F1524-Y1526 AromaticContact CD1-CE2 3.71Å; F1524-Y1526 HydrophobicContact CD1-CE2 3.89Å; F1524-Y1526 HydrophobicContact CD1-CG 4.34Å; F1524-Y1526 AromaticContact CE1-CD1 3.79Å; F1524-Y1526 HydrophobicContact CE1-CD1 3.91Å; F1524-Y1526 AromaticContact CE1-CD2 3.82Å; F1524-Y1526 HydrophobicContact CE1-CD2 4.19Å; F1524-Y1526 AromaticContact CE1-CE1 3.85Å; F1524-Y1526 HydrophobicContact CE1-CE1 3.9Å; F1524-Y1526 AromaticContact CE1-CE2 3.84Å; F1524-Y1526 HydrophobicContact CE1-CE2 4.15Å; F1524-Y1526 HydrophobicContact CE1-CG 4.09Å; F1524-Y1526 AromaticContact CE1-CZ 3.92Å |
| 1525 | V | 90.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 118.2 | 178.7 | 149.2 | 0 | 0 | 0 | 0 | 110.3 | Q1305 I1306 G1307 D1472 C1473 M1474 W1497 L1512 R1527 | Q1305-V1525 PolarHBondContact O-N 3.02Å; I1306-V1525 VanDerWaalsContact CA-O 3.31Å; I1306-V1525 WeakPolarHBondContact CA-O 3.29Å; I1306-V1525 HydrophobicContact CB-CG1 4.37Å; I1306-V1525 HydrophobicContact CD1-CG1 4.25Å; I1306-V1525 HydrophobicContact CG1-CG1 3.71Å; I1306-V1525 HydrophobicContact CG2-CB 4.16Å; I1306-V1525 HydrophobicContact CG2-CG1 4.34Å; G1307-V1525 PolarHBondContact N-O 3.19Å; G1307-V1525 VanDerWaalsContact N-O 3.13Å; D1472-V1525 HydrophobicContact CB-CG1 4.34Å; D1472-V1525 HydrophobicContact CB-CG2 4.36Å; C1473-V1525 WeakPolarHBondContact O-CA 3.27Å; C1473-V1525 WeakPolarHBondContact O-CG2 3.19Å; M1474-V1525 HydrophobicContact CG-CB 4.48Å; M1474-V1525 HydrophobicContact CG-CG1 4.27Å; M1474-V1525 HydrophobicContact CG-CG2 4.18Å; W1497-V1525 HydrophobicContact CB-CG1 4.46Å; W1497-V1525 HydrophobicContact CD2-CB 4.31Å; W1497-V1525 HydrophobicContact CD2-CG1 3.85Å; W1497-V1525 HydrophobicContact CD2-CG2 3.88Å; W1497-V1525 VanDerWaalsContact CE2-CG2 3.49Å; W1497-V1525 HydrophobicContact CE3-CB 4.36Å; W1497-V1525 HydrophobicContact CE3-CG1 4.13Å; W1497-V1525 HydrophobicContact CE3-CG2 4.41Å; W1497-V1525 HydrophobicContact CG-CG1 4.06Å; W1497-V1525 HydrophobicContact CG-CG2 4.1Å; W1497-V1525 HydrophobicContact CH2-CB 4.2Å; W1497-V1525 HydrophobicContact CH2-CG1 4.48Å; W1497-V1525 HydrophobicContact CZ2-CB 4.21Å; W1497-V1525 HydrophobicContact CZ2-CG2 4.05Å; W1497-V1525 HydrophobicContact CZ3-CB 4.32Å; W1497-V1525 HydrophobicContact CZ3-CG1 4.14Å; L1512-V1525 HydrophobicContact CD1-CG1 3.95Å; L1512-V1525 HydrophobicContact CD2-CG2 3.88Å; V1525-R1527 HydrophobicContact CB-CG 4.34Å; V1525-R1527 HydrophobicContact CG1-CG 3.78Å; V1525-R1527 HydrophobicContact CG2-CG 3.75Å; V1525-R1527 PolarHBondContact O-N 3.16Å |
| 1526 | Y | 91.2 | Very high | 88.9 | Confident | 0.4 Ų | 0.4 | 33.4 Ų | 33.4 | 0% | 0.002 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 117 | 166.5 | -67.6 | -86.1 | 0 | 0 | 0 | 107.8 | G1307 S1308 M1330 T1362 T1363 M1365 D1472 C1473 T1475 F1524 | G1307-Y1526 WeakPolarHBondContact O-CA 3.21Å; S1308-Y1526 VanDerWaalsContact O-CD1 3.26Å; S1308-Y1526 WeakPolarHBondContact O-CD1 3.36Å; M1330-Y1526 HydrophobicContact CB-CE2 3.86Å; M1330-Y1526 HydrophobicContact CG-CE2 4.19Å; M1330-Y1526 WeakPolarHBondContact CG-OH 3.45Å; T1362-Y1526 HydrophobicContact CG2-CE1 4.37Å; T1363-Y1526 WeakPolarHBondContact O-CE1 3.48Å; T1363-Y1526 PolarHBondContact O-OH 3.2Å; M1365-Y1526 HydrophobicContact CB-CD1 4.45Å; M1365-Y1526 HydrophobicContact CE-CD2 4.01Å; M1365-Y1526 HydrophobicContact CE-CE1 4.42Å; M1365-Y1526 HydrophobicContact CE-CE2 3.75Å; M1365-Y1526 HydrophobicContact CG-CD1 3.75Å; M1365-Y1526 HydrophobicContact CG-CD2 3.69Å; M1365-Y1526 HydrophobicContact CG-CE1 3.83Å; M1365-Y1526 HydrophobicContact CG-CE2 3.79Å; M1365-Y1526 HydrophobicContact CG-CG 3.66Å; M1365-Y1526 VanDerWaalsContact CG-CG 3.49Å; M1365-Y1526 HydrophobicContact SD-CD2 3.98Å; M1365-Y1526 HydrophobicContact SD-CE2 3.9Å; M1365-Y1526 VanDerWaalsContact SD-CE2 3.51Å; M1365-Y1526 HydrophobicContact SD-CG 4.49Å; D1472-Y1526 CarbonylContact C-O 3.54Å; D1472-Y1526 WeakPolarHBondContact CA-O 3.44Å; C1473-Y1526 PolarHBondContact N-O 2.87Å; C1473-Y1526 PolarHBondContact O-N 2.94Å; T1475-Y1526 HydrophobicContact CG2-CD2 3.79Å; T1475-Y1526 HydrophobicContact CG2-CE2 3.89Å; F1524-Y1526 HydrophobicContact CD1-CD1 4.4Å; F1524-Y1526 AromaticContact CD1-CD2 3.76Å; F1524-Y1526 HydrophobicContact CD1-CD2 4.01Å; F1524-Y1526 HydrophobicContact CD1-CE1 4.38Å; F1524-Y1526 AromaticContact CD1-CE2 3.71Å; F1524-Y1526 HydrophobicContact CD1-CE2 3.89Å; F1524-Y1526 HydrophobicContact CD1-CG 4.34Å; F1524-Y1526 AromaticContact CE1-CD1 3.79Å; F1524-Y1526 HydrophobicContact CE1-CD1 3.91Å; F1524-Y1526 AromaticContact CE1-CD2 3.82Å; F1524-Y1526 HydrophobicContact CE1-CD2 4.19Å; F1524-Y1526 AromaticContact CE1-CE1 3.85Å; F1524-Y1526 HydrophobicContact CE1-CE1 3.9Å; F1524-Y1526 AromaticContact CE1-CE2 3.84Å; F1524-Y1526 HydrophobicContact CE1-CE2 4.15Å; F1524-Y1526 HydrophobicContact CE1-CG 4.09Å; F1524-Y1526 AromaticContact CE1-CZ 3.92Å |
| 1527 | R | 88.2 | Confident | 89.2 | Confident | 8.2 Ų | 8.2 | 29.3 Ų | 29.3 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 127.3 | -171.9 | -81 | -160.5 | 117.2 | 177.8 | 7.8 | 111.9 | I1306 G1307 D1472 D1498 E1510 L1512 V1525 C1529 A1530 T1531 | I1306-R1527 HydrophobicContact CG2-CB 4.36Å; I1306-R1527 HydrophobicContact CG2-CG 3.94Å; G1307-R1527 PolarHBondContact O-N 3.05Å; D1472-R1527 HydrophobicContact CB-CG 4.43Å; D1472-R1527 VanDerWaalsContact CG-CG 3.49Å; D1472-R1527 VanDerWaalsContact OD1-CA 3.28Å; D1472-R1527 WeakPolarHBondContact OD1-CA 3.32Å; D1472-R1527 VanDerWaalsContact OD1-CB 3.29Å; D1472-R1527 WeakPolarHBondContact OD1-CB 3.43Å; D1472-R1527 WeakPolarHBondContact OD1-CD 3.29Å; D1472-R1527 VanDerWaalsContact OD1-CG 3.26Å; D1472-R1527 WeakPolarHBondContact OD1-CG 3.2Å; D1472-R1527 IonicContact OD1-CZ 3Å; D1472-R1527 IonicContact OD1-NE 2.86Å; D1472-R1527 PolarHBondContact OD1-NE 3.04Å; D1472-R1527 IonicContact OD1-NH2 3.11Å; D1472-R1527 VanDerWaalsContact OD2-CG 3.31Å; D1472-R1527 WeakPolarHBondContact OD2-CG 3.3Å; D1472-R1527 IonicContact OD2-CZ 3.53Å; D1472-R1527 IonicContact OD2-NE 3.43Å; D1472-R1527 PolarHBondContact OD2-NE 3.11Å; D1472-R1527 IonicContact OD2-NH1 3.53Å; D1472-R1527 PolarHBondContact OD2-NH1 3.28Å; D1472-R1527 IonicContact OD2-NH2 3.65Å; D1472-R1527 PolarHBondContact OD2-NH2 3.21Å; D1498-R1527 PolarHBondContact O-NH1 2.81Å; E1510-R1527 VanDerWaalsContact O-CZ 3.29Å; E1510-R1527 PolarHBondContact O-NH1 2.99Å; E1510-R1527 VanDerWaalsContact O-NH1 3.09Å; E1510-R1527 PolarHBondContact O-NH2 2.99Å; E1510-R1527 VanDerWaalsContact O-NH2 3.09Å; L1512-R1527 VanDerWaalsContact CD1-NE 3.27Å; L1512-R1527 VanDerWaalsContact CD1-NH2 3.35Å; V1525-R1527 HydrophobicContact CB-CG 4.34Å; V1525-R1527 HydrophobicContact CG1-CG 3.78Å; V1525-R1527 HydrophobicContact CG2-CG 3.75Å; V1525-R1527 PolarHBondContact O-N 3.16Å; R1527-C1529 VanDerWaalsContact C-N 3.33Å; R1527-C1529 WeakPolarHBondContact CD-SG 3.36Å; R1527-C1529 PolarHBondContact NE-SG 2.92Å; R1527-C1529 PolarHBondContact O-N 3.08Å; R1527-A1530 HydrophobicContact CB-CB 3.84Å; R1527-A1530 CarbonylContact O-C 3.53Å; R1527-A1530 PolarHBondContact O-N 2.96Å; R1527-A1530 VanDerWaalsContact O-N 3.08Å; R1527-T1531 PolarHBondContact O-N 3.18Å; R1527-T1531 VanDerWaalsContact O-N 3.15Å; R1527-T1531 PolarHBondContact O-OG1 3.05Å |
| 1528 | G | 87.8 | Confident | 89.5 | Confident | 14.6 Ų | 14.6 | 27.4 Ų | 27.4 | 15% | 0.151 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -60.4 | -46.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F1470 D1471 D1472 A1530 T1531 | F1470-G1528 WeakPolarHBondContact O-CA 3.35Å; D1471-G1528 PolarHBondContact O-N 3.21Å; D1472-G1528 PolarHBondContact OD1-N 3.12Å; G1528-A1530 PolarHBondContact O-N 3.14Å; G1528-T1531 VanDerWaalsContact O-CB 3.27Å; G1528-T1531 WeakPolarHBondContact O-CB 3.35Å; G1528-T1531 PolarHBondContact O-N 3.14Å; G1528-T1531 VanDerWaalsContact O-N 3.11Å |
| 1529 | C | 86.4 | Confident | 89.7 | Confident | 50.4 Ų | 50.4 | 29.4 Ų | 29.4 | 34% | 0.341 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -66.3 | -18.6 | 178.3 | 62 | 0 | 0 | 0 | 0 | 114.2 | F1507 C1509 R1527 | F1507-C1529 WeakPolarHBondContact CB-O 3.04Å; F1507-C1529 WeakPolarHBondContact CD1-O 3.32Å; F1507-C1529 WeakPolarHBondContact CG-O 3.35Å; C1509-C1529 VanDerWaalsContact CA-SG 3.53Å; C1509-C1529 WeakPolarHBondContact CA-SG 3.45Å; C1509-C1529 HydrophobicContact CB-CB 4.17Å; C1509-C1529 WeakPolarHBondContact CB-SG 3.35Å; C1509-C1529 WeakPolarHBondContact SG-CB 3.27Å; C1509-C1529 CovalentContact SG-SG 2.03Å; C1509-C1529 PolarHBondContact SG-SG 2.97Å; R1527-C1529 VanDerWaalsContact C-N 3.33Å; R1527-C1529 WeakPolarHBondContact CD-SG 3.36Å; R1527-C1529 PolarHBondContact NE-SG 2.92Å; R1527-C1529 PolarHBondContact O-N 3.08Å |
| 1530 | A | 86.5 | Confident | 89.8 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -102 | 8.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1306 L1500 C1509 R1527 G1528 P1532 L1613 | I1306-A1530 HydrophobicContact CG2-CB 4.1Å; L1500-A1530 HydrophobicContact CD2-CB 3.99Å; L1500-A1530 VanDerWaalsContact CD2-CB 3.4Å; C1509-A1530 PolarHBondContact SG-N 3.09Å; C1509-A1530 VanDerWaalsContact SG-N 3.44Å; R1527-A1530 HydrophobicContact CB-CB 3.84Å; R1527-A1530 CarbonylContact O-C 3.53Å; R1527-A1530 PolarHBondContact O-N 2.96Å; R1527-A1530 VanDerWaalsContact O-N 3.08Å; G1528-A1530 PolarHBondContact O-N 3.14Å; A1530-P1532 WeakPolarHBondContact O-CD 3.3Å; A1530-L1613 HydrophobicContact CB-CD2 4.26Å |
| 1531 | T | 90.7 | Very high | 89.9 | Confident | 5.4 Ų | 5.4 | 29 Ų | 29 | 3% | 0.033 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -92.1 | 113.4 | 175.7 | -61.3 | 0 | 0 | 0 | 0 | 108.9 | S1308 F1309 V1310 F1470 R1527 G1528 L1617 | S1308-T1531 WeakPolarHBondContact CA-OG1 3.45Å; S1308-T1531 VanDerWaalsContact OG-CG2 3.29Å; S1308-T1531 WeakPolarHBondContact OG-CG2 3.37Å; S1308-T1531 PolarHBondContact OG-OG1 3.02Å; F1309-T1531 HydrophobicContact CB-CG2 4.41Å; F1309-T1531 WeakPolarHBondContact CB-OG1 3.18Å; F1309-T1531 HydrophobicContact CD1-CG2 3.84Å; F1309-T1531 WeakPolarHBondContact CD1-OG1 3.42Å; F1309-T1531 HydrophobicContact CE1-CG2 3.61Å; F1309-T1531 HydrophobicContact CZ-CG2 4.47Å; F1309-T1531 PolarHBondContact N-OG1 2.92Å; F1309-T1531 VanDerWaalsContact N-OG1 3.15Å; V1310-T1531 HydrophobicContact CG2-CG2 4.1Å; F1470-T1531 HydrophobicContact CD2-CG2 3.97Å; F1470-T1531 HydrophobicContact CE2-CG2 3.51Å; F1470-T1531 VanDerWaalsContact CE2-CG2 3.49Å; F1470-T1531 HydrophobicContact CG-CG2 4.45Å; F1470-T1531 HydrophobicContact CZ-CG2 3.93Å; R1527-T1531 PolarHBondContact O-N 3.18Å; R1527-T1531 VanDerWaalsContact O-N 3.15Å; R1527-T1531 PolarHBondContact O-OG1 3.05Å; G1528-T1531 VanDerWaalsContact O-CB 3.27Å; G1528-T1531 WeakPolarHBondContact O-CB 3.35Å; G1528-T1531 PolarHBondContact O-N 3.14Å; G1528-T1531 VanDerWaalsContact O-N 3.11Å; T1531-L1617 HydrophobicContact CG2-CB 4.19Å |
| 1532 | P | 90.5 | Very high | 89.9 | Confident | 0.4 Ų | 0.4 | 25.8 Ų | 25.8 | 0% | 0.003 | 16% | 0.155 | C | C | . | . | trans | -63.2 | 145.7 | 178.4 | -19.6 | 31.7 | 0 | 0 | 0 | 111.9 | F1507 A1530 L1555 L1613 A1616 L1617 | F1507-P1532 HydrophobicContact CE1-CB 4.35Å; F1507-P1532 HydrophobicContact CE1-CG 4.36Å; F1507-P1532 HydrophobicContact CE2-CG 4.38Å; F1507-P1532 HydrophobicContact CZ-CB 3.91Å; F1507-P1532 HydrophobicContact CZ-CG 3.94Å; A1530-P1532 WeakPolarHBondContact O-CD 3.3Å; P1532-L1555 HydrophobicContact CB-CD1 3.69Å; P1532-L1555 HydrophobicContact CB-CD2 3.74Å; P1532-L1555 HydrophobicContact CB-CG 3.85Å; P1532-L1555 HydrophobicContact CG-CD1 4.39Å; P1532-L1555 HydrophobicContact CG-CD2 3.99Å; P1532-L1555 HydrophobicContact CG-CG 4.42Å; P1532-L1613 HydrophobicContact CG-CB 4.02Å; P1532-L1613 HydrophobicContact CG-CD1 3.93Å; P1532-A1616 HydrophobicContact CB-CB 3.8Å; P1532-A1616 CarbonylContact O-C 3.56Å; P1532-A1616 VanDerWaalsContact O-CA 3.25Å; P1532-A1616 WeakPolarHBondContact O-CA 3.3Å; P1532-A1616 WeakPolarHBondContact O-CB 3.39Å; P1532-L1617 PolarHBondContact O-N 3.04Å | ||
| 1533 | I | 90.6 | Very high | 89.8 | Confident | 70 Ų | 70 | 28.4 Ų | 28.4 | 36% | 0.359 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 130.9 | 177.5 | -60.8 | 173.9 | 0 | 0 | 0 | 108.7 | S1552 L1617 Q1619 | I1533-S1552 VanDerWaalsContact O-CB 3.28Å; I1533-S1552 WeakPolarHBondContact O-CB 3.41Å; I1533-S1552 PolarHBondContact O-OG 2.91Å; I1533-L1617 WeakPolarHBondContact CA-O 3.26Å; I1533-Q1619 HydrophobicContact CG2-CB 3.74Å; I1533-Q1619 VanDerWaalsContact CG2-OE1 3.27Å |
| 1534 | V | 91.6 | Very high | 89.6 | Confident | 0.2 Ų | 0.2 | 28.5 Ų | 28.5 | 0% | 0.001 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 118.7 | 170.4 | 170.5 | 0 | 0 | 0 | 0 | 107.6 | S1536 V1550 S1551 L1555 I1608 A1616 L1617 L1618 Q1619 | V1534-S1536 VanDerWaalsContact CG1-O 3.28Å; V1534-S1536 WeakPolarHBondContact CG1-O 3.29Å; V1534-V1550 HydrophobicContact CB-CG1 4.25Å; V1534-V1550 HydrophobicContact CG1-CB 4.06Å; V1534-V1550 HydrophobicContact CG1-CG1 3.36Å; V1534-V1550 VanDerWaalsContact CG1-CG1 3.43Å; V1534-V1550 HydrophobicContact CG2-CG1 3.84Å; V1534-S1551 CarbonylContact C-O 3.47Å; V1534-S1551 WeakPolarHBondContact CA-O 3.25Å; V1534-L1555 HydrophobicContact CG2-CD1 4.08Å; V1534-I1608 HydrophobicContact CG1-CD1 4.43Å; V1534-I1608 HydrophobicContact CG2-CB 4.3Å; V1534-I1608 HydrophobicContact CG2-CD1 4.18Å; V1534-I1608 HydrophobicContact CG2-CG1 4.21Å; V1534-I1608 HydrophobicContact CG2-CG2 4.35Å; V1534-A1616 HydrophobicContact CG2-CB 3.86Å; V1534-L1617 PolarHBondContact N-O 3.11Å; V1534-L1618 HydrophobicContact CB-CD1 4.02Å; V1534-L1618 HydrophobicContact CG1-CD1 3.58Å; V1534-Q1619 CarbonylContact O-C 3.57Å; V1534-Q1619 WeakPolarHBondContact O-CB 3.43Å; V1534-Q1619 PolarHBondContact O-N 3.21Å |
| 1535 | S | 89.3 | Confident | 89.4 | Confident | 55.6 Ų | 55.6 | 32.7 Ų | 32.7 | 39% | 0.389 | 19% | 0.186 | S | C | . | . | trans | -83.3 | -27.3 | -175.6 | 44.8 | 0 | 0 | 0 | 0 | 113.3 | S1551 V1620 | S1535-S1551 PolarHBondContact N-O 2.85Å; S1535-S1551 VanDerWaalsContact OG-CB 3.3Å; S1535-S1551 WeakPolarHBondContact OG-CB 3.43Å; S1535-S1551 PolarHBondContact OG-O 2.8Å; S1535-S1551 VanDerWaalsContact OG-O 3.09Å; S1535-S1551 PolarHBondContact OG-OG 3.28Å; S1535-V1620 WeakPolarHBondContact O-CA 3.46Å | ||
| 1536 | S | 88.4 | Confident | 89.3 | Confident | 51.8 Ų | 51.8 | 33.5 Ų | 33.5 | 36% | 0.362 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 162.3 | 177.8 | 66.9 | 0 | 0 | 0 | 0 | 112.1 | V1534 V1550 S1551 | V1534-S1536 VanDerWaalsContact CG1-O 3.28Å; V1534-S1536 WeakPolarHBondContact CG1-O 3.29Å; S1536-V1550 WeakPolarHBondContact O-CA 3.44Å; S1536-S1551 PolarHBondContact O-N 3Å; S1536-S1551 VanDerWaalsContact OG-CB 3.25Å; S1536-S1551 WeakPolarHBondContact OG-CB 3.23Å; S1536-S1551 PolarHBondContact OG-OG 3.32Å; S1536-S1551 VanDerWaalsContact OG-OG 3.12Å |
| 1537 | F | 89.8 | Confident | 89.4 | Confident | 4.6 Ų | 4.6 | 37.9 Ų | 37.9 | 2% | 0.02 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 150 | 169.1 | 107.2 | -85.2 | 0 | 0 | 0 | 109.5 | P1539 F1540 I1542 I1548 T1549 V1550 V1566 P1606 L1618 V1620 E1626 A1629 | F1537-P1539 VanDerWaalsContact CE1-O 3.3Å; F1537-P1539 WeakPolarHBondContact CE1-O 3.03Å; F1537-F1540 HydrophobicContact CD2-CD1 4.43Å; F1537-F1540 HydrophobicContact CD2-CE1 4.49Å; F1537-F1540 HydrophobicContact CE1-CE1 4.41Å; F1537-F1540 AromaticContact CE2-CD1 3.76Å; F1537-F1540 HydrophobicContact CE2-CD1 3.76Å; F1537-F1540 AromaticContact CE2-CE1 3.96Å; F1537-F1540 HydrophobicContact CE2-CE1 4Å; F1537-F1540 AromaticContact CZ-CD1 3.89Å; F1537-F1540 HydrophobicContact CZ-CD1 3.96Å; F1537-F1540 AromaticContact CZ-CE1 3.93Å; F1537-F1540 HydrophobicContact CZ-CE1 3.98Å; F1537-F1540 WeakPolarHBondContact O-CE1 2.95Å; F1537-I1542 HydrophobicContact CE1-CD1 4.06Å; F1537-I1542 HydrophobicContact CZ-CD1 4.16Å; F1537-I1548 HydrophobicContact CD2-CG2 3.85Å; F1537-I1548 HydrophobicContact CE1-CG2 4.32Å; F1537-I1548 HydrophobicContact CE2-CB 4.42Å; F1537-I1548 HydrophobicContact CE2-CD1 4.43Å; F1537-I1548 HydrophobicContact CE2-CG2 3.14Å; F1537-I1548 HydrophobicContact CZ-CD1 4Å; F1537-I1548 HydrophobicContact CZ-CG1 4.47Å; F1537-I1548 HydrophobicContact CZ-CG2 3.55Å; F1537-T1549 CarbonylContact C-O 3.54Å; F1537-T1549 WeakPolarHBondContact CA-O 3.31Å; F1537-V1550 HydrophobicContact CB-CG1 3.92Å; F1537-V1550 HydrophobicContact CB-CG2 4.29Å; F1537-V1550 HydrophobicContact CD2-CG2 3.98Å; F1537-V1550 HydrophobicContact CE2-CG2 4.34Å; F1537-V1566 HydrophobicContact CE2-CG2 4.05Å; F1537-V1566 HydrophobicContact CZ-CG1 4.37Å; F1537-V1566 HydrophobicContact CZ-CG2 4Å; F1537-P1606 HydrophobicContact CB-CG 4.27Å; F1537-P1606 HydrophobicContact CD1-CG 4.06Å; F1537-P1606 HydrophobicContact CD2-CB 3.58Å; F1537-P1606 VanDerWaalsContact CD2-CB 3.49Å; F1537-P1606 HydrophobicContact CD2-CG 3.69Å; F1537-P1606 HydrophobicContact CE1-CB 4.48Å; F1537-P1606 HydrophobicContact CE1-CG 4.2Å; F1537-P1606 HydrophobicContact CE2-CB 3.51Å; F1537-P1606 HydrophobicContact CE2-CG 3.83Å; F1537-P1606 HydrophobicContact CG-CB 4.16Å; F1537-P1606 HydrophobicContact CG-CG 3.8Å; F1537-P1606 HydrophobicContact CZ-CB 4.09Å; F1537-P1606 HydrophobicContact CZ-CG 4.1Å; F1537-L1618 HydrophobicContact CB-CD1 4.46Å; F1537-L1618 HydrophobicContact CD1-CD1 4.02Å; F1537-L1618 HydrophobicContact CD1-CD2 4.27Å; F1537-L1618 HydrophobicContact CE1-CD1 4.48Å; F1537-L1618 HydrophobicContact CE1-CD2 4.02Å; F1537-V1620 HydrophobicContact CD1-CG1 4.22Å; F1537-V1620 HydrophobicContact CD1-CG2 3.79Å; F1537-V1620 HydrophobicContact CE1-CG1 4.4Å; F1537-V1620 HydrophobicContact CE1-CG2 3.89Å; F1537-E1626 VanDerWaalsContact CE1-O 3.24Å; F1537-E1626 WeakPolarHBondContact CE1-O 3.39Å; F1537-E1626 WeakPolarHBondContact CZ-O 3.23Å; F1537-A1629 HydrophobicContact CE1-CB 3.84Å; F1537-A1629 HydrophobicContact CE2-CB 4Å; F1537-A1629 HydrophobicContact CZ-CB 4.27Å |
| 1538 | S | 90 | Very high | 89.5 | Confident | 59.2 Ų | 59.2 | 37.5 Ų | 37.5 | 41% | 0.414 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 150.6 | -179.8 | 161.5 | 0 | 0 | 0 | 0 | 110.2 | I1548 T1549 | S1538-I1548 WeakPolarHBondContact O-CA 3.44Å; S1538-T1549 PolarHBondContact N-O 2.95Å; S1538-T1549 PolarHBondContact O-N 2.81Å |
| 1539 | P | 91.2 | Very high | 89.8 | Confident | 45.2 Ų | 45.2 | 38.9 Ų | 38.9 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | cis | -80.5 | 164.4 | -4.4 | 32.9 | -35.1 | 0 | 0 | 0 | 113.3 | F1537 N1541 I1542 M1547 | F1537-P1539 VanDerWaalsContact CE1-O 3.3Å; F1537-P1539 WeakPolarHBondContact CE1-O 3.03Å; P1539-N1541 VanDerWaalsContact C-N 3.31Å; P1539-N1541 VanDerWaalsContact CG-O 3.31Å; P1539-N1541 WeakPolarHBondContact CG-O 3.37Å; P1539-N1541 PolarHBondContact O-N 2.87Å; P1539-I1542 HydrophobicContact CG-CG1 4.46Å; P1539-I1542 HydrophobicContact CG-CG2 4.13Å; P1539-I1542 WeakPolarHBondContact O-CG2 3.41Å; P1539-M1547 WeakPolarHBondContact CD-O 3.17Å | ||
| 1540 | F | 88.3 | Confident | 90.1 | Very high | 84.2 Ų | 84.2 | 36.5 Ų | 36.5 | 37% | 0.369 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -81.9 | -13.3 | 174.1 | -57.5 | -62.8 | 0 | 0 | 0 | 113.7 | F1537 E1626 A1629 F1630 | F1537-F1540 HydrophobicContact CD2-CD1 4.43Å; F1537-F1540 HydrophobicContact CD2-CE1 4.49Å; F1537-F1540 HydrophobicContact CE1-CE1 4.41Å; F1537-F1540 AromaticContact CE2-CD1 3.76Å; F1537-F1540 HydrophobicContact CE2-CD1 3.76Å; F1537-F1540 AromaticContact CE2-CE1 3.96Å; F1537-F1540 HydrophobicContact CE2-CE1 4Å; F1537-F1540 AromaticContact CZ-CD1 3.89Å; F1537-F1540 HydrophobicContact CZ-CD1 3.96Å; F1537-F1540 AromaticContact CZ-CE1 3.93Å; F1537-F1540 HydrophobicContact CZ-CE1 3.98Å; F1537-F1540 WeakPolarHBondContact O-CE1 2.95Å; F1540-E1626 HydrophobicContact CE1-CB 4.17Å; F1540-E1626 HydrophobicContact CE1-CG 4.38Å; F1540-E1626 WeakPolarHBondContact CE1-O 3.33Å; F1540-E1626 HydrophobicContact CE2-CG 4.27Å; F1540-E1626 HydrophobicContact CZ-CB 4.1Å; F1540-E1626 HydrophobicContact CZ-CG 4Å; F1540-A1629 CarbonylContact O-C 3.57Å; F1540-A1629 VanDerWaalsContact O-CA 3.26Å; F1540-A1629 WeakPolarHBondContact O-CA 3.42Å; F1540-F1630 PolarHBondContact O-N 3.1Å |
| 1541 | N | 89.7 | Confident | 90.4 | Very high | 87.4 Ų | 87.4 | 37.5 Ų | 37.5 | 47% | 0.467 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 120.9 | 171.7 | -69.8 | -37.7 | 0 | 0 | 0 | 107.5 | P1539 F1630 L1632 | P1539-N1541 VanDerWaalsContact C-N 3.31Å; P1539-N1541 VanDerWaalsContact CG-O 3.31Å; P1539-N1541 WeakPolarHBondContact CG-O 3.37Å; P1539-N1541 PolarHBondContact O-N 2.87Å; N1541-F1630 WeakPolarHBondContact CA-O 3.32Å; N1541-L1632 HydrophobicContact CB-CD1 3.86Å |
| 1542 | I | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142.4 | -171.8 | -20.5 | 175.7 | 0 | 0 | 0 | 110.3 | F1537 P1539 I1548 V1566 L1588 L1604 A1629 F1630 F1631 L1632 | F1537-I1542 HydrophobicContact CE1-CD1 4.06Å; F1537-I1542 HydrophobicContact CZ-CD1 4.16Å; P1539-I1542 HydrophobicContact CG-CG1 4.46Å; P1539-I1542 HydrophobicContact CG-CG2 4.13Å; P1539-I1542 WeakPolarHBondContact O-CG2 3.41Å; I1542-I1548 HydrophobicContact CB-CD1 4.42Å; I1542-I1548 HydrophobicContact CD1-CD1 3.7Å; I1542-I1548 HydrophobicContact CG1-CD1 3.96Å; I1542-I1548 HydrophobicContact CG2-CD1 4.02Å; I1542-V1566 HydrophobicContact CD1-CB 4.36Å; I1542-V1566 HydrophobicContact CD1-CG1 3.7Å; I1542-V1566 VanDerWaalsContact CD1-CG1 3.46Å; I1542-L1588 HydrophobicContact CD1-CD2 4.01Å; I1542-L1588 HydrophobicContact CG2-CD2 3.59Å; I1542-L1588 VanDerWaalsContact CG2-CD2 3.5Å; I1542-L1604 HydrophobicContact CD1-CD1 3.95Å; I1542-A1629 HydrophobicContact CD1-CB 3.44Å; I1542-A1629 HydrophobicContact CG1-CB 3.92Å; I1542-A1629 HydrophobicContact CG2-CB 4.19Å; I1542-F1630 PolarHBondContact N-O 2.83Å; I1542-F1631 HydrophobicContact CB-CD2 4.44Å; I1542-F1631 HydrophobicContact CD1-CD2 4.18Å; I1542-F1631 HydrophobicContact CG1-CB 4.46Å; I1542-F1631 HydrophobicContact CG1-CD2 3.9Å; I1542-F1631 HydrophobicContact CG2-CD2 4.17Å; I1542-F1631 HydrophobicContact CG2-CE2 4.35Å; I1542-F1631 CarbonylContact O-C 3.51Å; I1542-F1631 WeakPolarHBondContact O-CA 3.39Å; I1542-F1631 WeakPolarHBondContact O-CD2 3.28Å; I1542-L1632 PolarHBondContact O-N 3.14Å |
| 1543 | Y | 90.2 | Very high | 90.2 | Very high | 56.8 Ų | 56.8 | 40.1 Ų | 40.1 | 22% | 0.223 | 23% | 0.225 | C | C | . | . | trans | -121.9 | -177.4 | 174.6 | -51.5 | -90.6 | 0 | 0 | 0 | 109.1 | S1546 L1632 E1634 Q1723 | Y1543-S1546 WeakPolarHBondContact CA-OG 3.42Å; Y1543-S1546 PolarHBondContact N-OG 3.16Å; Y1543-S1546 WeakPolarHBondContact O-CB 3.23Å; Y1543-S1546 PolarHBondContact O-N 3.06Å; Y1543-S1546 PolarHBondContact O-OG 2.9Å; Y1543-S1546 VanDerWaalsContact O-OG 3.08Å; Y1543-L1632 HydrophobicContact CD1-CB 3.64Å; Y1543-L1632 VanDerWaalsContact CD1-CB 3.5Å; Y1543-L1632 HydrophobicContact CE1-CB 3.22Å; Y1543-L1632 HydrophobicContact CE1-CD1 3.84Å; Y1543-L1632 HydrophobicContact CE1-CG 4.17Å; Y1543-L1632 HydrophobicContact CE2-CD1 4.32Å; Y1543-L1632 HydrophobicContact CG-CB 4.44Å; Y1543-L1632 VanDerWaalsContact CZ-CD1 3.48Å; Y1543-L1632 VanDerWaalsContact OH-CD1 3.25Å; Y1543-L1632 WeakPolarHBondContact OH-CD1 3.24Å; Y1543-E1634 HydrophobicContact CD1-CB 4.39Å; Y1543-Q1723 HydrophobicContact CD1-CB 4.17Å; Y1543-Q1723 HydrophobicContact CD1-CG 3.83Å; Y1543-Q1723 HydrophobicContact CE1-CB 4.03Å; Y1543-Q1723 HydrophobicContact CE1-CG 3.85Å; Y1543-Q1723 VanDerWaalsContact CE1-OE1 3.28Å; Y1543-Q1723 HydrophobicContact CE2-CG 4.43Å; Y1543-Q1723 PolarHBondContact OH-OE1 2.93Å | ||
| 1544 | A | 87.8 | Confident | 90.1 | Very high | 4.4 Ų | 4.4 | 38.8 Ų | 38.8 | 4% | 0.036 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | 155.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | S1546 E1590 V1593 E1634 | A1544-S1546 PolarHBondContact O-N 2.64Å; A1544-S1546 VanDerWaalsContact O-N 3.14Å; A1544-S1546 PolarHBondContact O-OG 2.73Å; A1544-E1590 HydrophobicContact CB-CB 4.17Å; A1544-E1590 HydrophobicContact CB-CG 4.26Å; A1544-V1593 HydrophobicContact CB-CG2 4.35Å; A1544-E1634 WeakPolarHBondContact CA-OE2 3.4Å; A1544-E1634 WeakPolarHBondContact CB-OE2 3.3Å; A1544-E1634 PolarHBondContact N-OE2 3.17Å; A1544-E1634 VanDerWaalsContact O-OE2 3.07Å |
| 1545 | E | 87.5 | Confident | 90.1 | Very high | 87.6 Ų | 87.6 | 38.8 Ų | 38.8 | 41% | 0.409 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | 15.3 | -176.9 | -53.6 | -58.5 | 146.9 | 0 | 0 | 115.2 | M1547 N1587 L1588 I1589 E1590 | E1545-M1547 PolarHBondContact O-N 2.92Å; E1545-N1587 VanDerWaalsContact C-OD1 3.31Å; E1545-N1587 VanDerWaalsContact CA-OD1 3.23Å; E1545-N1587 WeakPolarHBondContact CA-OD1 3.29Å; E1545-N1587 PolarHBondContact O-OD1 2.9Å; E1545-N1587 VanDerWaalsContact O-OD1 3.11Å; E1545-N1587 PolarHBondContact OE2-ND2 3.2Å; E1545-L1588 WeakPolarHBondContact CA-O 3.23Å; E1545-L1588 PolarHBondContact N-O 3.3Å; E1545-I1589 VanDerWaalsContact OE1-CA 3.3Å; E1545-I1589 WeakPolarHBondContact OE1-CA 3.3Å; E1545-E1590 WeakPolarHBondContact OE1-CB 3.25Å; E1545-E1590 PolarHBondContact OE1-N 3.06Å |
| 1546 | S | 89.6 | Confident | 90.2 | Very high | 16.6 Ų | 16.6 | 36.2 Ų | 36.2 | 12% | 0.116 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 130.3 | 176.5 | -71 | 0 | 0 | 0 | 0 | 111 | Y1543 A1544 I1548 N1587 L1588 | Y1543-S1546 WeakPolarHBondContact CA-OG 3.42Å; Y1543-S1546 PolarHBondContact N-OG 3.16Å; Y1543-S1546 WeakPolarHBondContact O-CB 3.23Å; Y1543-S1546 PolarHBondContact O-N 3.06Å; Y1543-S1546 PolarHBondContact O-OG 2.9Å; Y1543-S1546 VanDerWaalsContact O-OG 3.08Å; A1544-S1546 PolarHBondContact O-N 2.64Å; A1544-S1546 VanDerWaalsContact O-N 3.14Å; A1544-S1546 PolarHBondContact O-OG 2.73Å; S1546-I1548 PolarHBondContact O-N 2.98Å; S1546-N1587 PolarHBondContact O-OD1 3.39Å; S1546-L1588 PolarHBondContact O-N 2.91Å; S1546-L1588 VanDerWaalsContact O-N 3.13Å |
| 1547 | M | 91.6 | Very high | 90.2 | Very high | 92.8 Ų | 92.8 | 38.2 Ų | 38.2 | 46% | 0.457 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 113.9 | 172.1 | -65.7 | -64.9 | -81 | 0 | 0 | 109.5 | P1539 E1545 F1575 V1585 C1586 N1587 | P1539-M1547 WeakPolarHBondContact CD-O 3.17Å; E1545-M1547 PolarHBondContact O-N 2.92Å; M1547-F1575 HydrophobicContact CE-CE1 4.31Å; M1547-F1575 HydrophobicContact CE-CZ 4.23Å; M1547-V1585 HydrophobicContact CB-CG1 4.35Å; M1547-V1585 HydrophobicContact CE-CG1 3.44Å; M1547-V1585 VanDerWaalsContact CE-CG1 3.42Å; M1547-V1585 HydrophobicContact SD-CG1 4.21Å; M1547-C1586 WeakPolarHBondContact CA-O 3.32Å; M1547-N1587 HydrophobicContact SD-CB 3.73Å |
| 1548 | I | 92.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 122.5 | 178.9 | -53.3 | -54.5 | 0 | 0 | 0 | 108.6 | F1537 S1538 I1542 S1546 V1550 I1564 V1585 C1586 L1588 | F1537-I1548 HydrophobicContact CD2-CG2 3.85Å; F1537-I1548 HydrophobicContact CE1-CG2 4.32Å; F1537-I1548 HydrophobicContact CE2-CB 4.42Å; F1537-I1548 HydrophobicContact CE2-CD1 4.43Å; F1537-I1548 HydrophobicContact CE2-CG2 3.14Å; F1537-I1548 HydrophobicContact CZ-CD1 4Å; F1537-I1548 HydrophobicContact CZ-CG1 4.47Å; F1537-I1548 HydrophobicContact CZ-CG2 3.55Å; S1538-I1548 WeakPolarHBondContact O-CA 3.44Å; I1542-I1548 HydrophobicContact CB-CD1 4.42Å; I1542-I1548 HydrophobicContact CD1-CD1 3.7Å; I1542-I1548 HydrophobicContact CG1-CD1 3.96Å; I1542-I1548 HydrophobicContact CG2-CD1 4.02Å; S1546-I1548 PolarHBondContact O-N 2.98Å; I1548-V1550 HydrophobicContact CG2-CG1 4.26Å; I1548-V1550 HydrophobicContact CG2-CG2 4.15Å; I1548-I1564 HydrophobicContact CG2-CG2 4.4Å; I1548-V1585 CarbonylContact O-C 3.47Å; I1548-V1585 VanDerWaalsContact O-CA 3.27Å; I1548-V1585 WeakPolarHBondContact O-CA 3.24Å; I1548-C1586 PolarHBondContact N-O 3.09Å; I1548-C1586 PolarHBondContact O-N 3.06Å; I1548-C1586 VanDerWaalsContact O-N 3.11Å; I1548-L1588 HydrophobicContact CG1-CB 4.44Å |
| 1549 | T | 92.8 | Very high | 90.2 | Very high | 43.4 Ų | 43.4 | 35.7 Ų | 35.7 | 27% | 0.266 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 129.6 | 174.1 | -54.5 | 0 | 0 | 0 | 0 | 109.7 | F1537 S1538 I1584 V1585 | F1537-T1549 CarbonylContact C-O 3.54Å; F1537-T1549 WeakPolarHBondContact CA-O 3.31Å; S1538-T1549 PolarHBondContact N-O 2.95Å; S1538-T1549 PolarHBondContact O-N 2.81Å; T1549-I1584 CarbonylContact C-O 3.49Å; T1549-I1584 VanDerWaalsContact CA-O 3.31Å; T1549-I1584 WeakPolarHBondContact CA-O 3.38Å; T1549-V1585 HydrophobicContact CG2-CG2 4.28Å |
| 1550 | V | 92.7 | Very high | 90.1 | Very high | 0.2 Ų | 0.2 | 39.8 Ų | 39.8 | 0% | 0.001 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.8 | 179 | -164.7 | 0 | 0 | 0 | 0 | 109.1 | V1534 S1536 F1537 I1548 I1564 S1583 I1584 I1608 | V1534-V1550 HydrophobicContact CB-CG1 4.25Å; V1534-V1550 HydrophobicContact CG1-CB 4.06Å; V1534-V1550 HydrophobicContact CG1-CG1 3.36Å; V1534-V1550 VanDerWaalsContact CG1-CG1 3.43Å; V1534-V1550 HydrophobicContact CG2-CG1 3.84Å; S1536-V1550 WeakPolarHBondContact O-CA 3.44Å; F1537-V1550 HydrophobicContact CB-CG1 3.92Å; F1537-V1550 HydrophobicContact CB-CG2 4.29Å; F1537-V1550 HydrophobicContact CD2-CG2 3.98Å; F1537-V1550 HydrophobicContact CE2-CG2 4.34Å; I1548-V1550 HydrophobicContact CG2-CG1 4.26Å; I1548-V1550 HydrophobicContact CG2-CG2 4.15Å; V1550-I1564 HydrophobicContact CG2-CD1 4.06Å; V1550-S1583 CarbonylContact O-C 3.54Å; V1550-S1583 VanDerWaalsContact O-CA 3.32Å; V1550-S1583 WeakPolarHBondContact O-CA 3.27Å; V1550-I1584 HydrophobicContact CB-CB 4.44Å; V1550-I1584 HydrophobicContact CG2-CB 3.76Å; V1550-I1584 HydrophobicContact CG2-CD1 3.97Å; V1550-I1584 HydrophobicContact CG2-CG2 4.43Å; V1550-I1584 PolarHBondContact N-O 2.91Å; V1550-I1584 PolarHBondContact O-N 3.03Å; V1550-I1608 HydrophobicContact CG1-CD1 4.35Å; V1550-I1608 HydrophobicContact CG1-CG1 4.24Å; V1550-I1608 HydrophobicContact CG2-CG1 4.4Å |
| 1551 | S | 92.3 | Very high | 90.2 | Very high | 20.6 Ų | 20.6 | 39 Ų | 39 | 14% | 0.144 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 121.1 | 176.6 | -135 | 0 | 0 | 0 | 0 | 110.6 | V1534 S1535 S1536 E1582 | V1534-S1551 CarbonylContact C-O 3.47Å; V1534-S1551 WeakPolarHBondContact CA-O 3.25Å; S1535-S1551 PolarHBondContact N-O 2.85Å; S1535-S1551 VanDerWaalsContact OG-CB 3.3Å; S1535-S1551 WeakPolarHBondContact OG-CB 3.43Å; S1535-S1551 PolarHBondContact OG-O 2.8Å; S1535-S1551 VanDerWaalsContact OG-O 3.09Å; S1535-S1551 PolarHBondContact OG-OG 3.28Å; S1536-S1551 PolarHBondContact O-N 3Å; S1536-S1551 VanDerWaalsContact OG-CB 3.25Å; S1536-S1551 WeakPolarHBondContact OG-CB 3.23Å; S1536-S1551 PolarHBondContact OG-OG 3.32Å; S1536-S1551 VanDerWaalsContact OG-OG 3.12Å; S1551-E1582 CarbonylContact C-O 3.59Å |
| 1552 | S | 91.7 | Very high | 90.3 | Very high | 1.4 Ų | 1.4 | 35.3 Ų | 35.3 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | trans | -158.1 | 103.8 | 172.4 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | I1533 V1554 L1555 A1556 E1582 | I1533-S1552 VanDerWaalsContact O-CB 3.28Å; I1533-S1552 WeakPolarHBondContact O-CB 3.41Å; I1533-S1552 PolarHBondContact O-OG 2.91Å; S1552-V1554 PolarHBondContact O-N 3.1Å; S1552-V1554 VanDerWaalsContact O-N 3.07Å; S1552-L1555 PolarHBondContact O-N 3.16Å; S1552-L1555 WeakPolarHBondContact OG-CB 3.34Å; S1552-L1555 WeakPolarHBondContact OG-CG 3.46Å; S1552-L1555 PolarHBondContact OG-N 3.06Å; S1552-A1556 WeakPolarHBondContact O-CB 3.37Å; S1552-A1556 PolarHBondContact O-N 2.99Å; S1552-A1556 VanDerWaalsContact O-N 3.07Å; S1552-E1582 CarbonylContact C-O 3.47Å; S1552-E1582 VanDerWaalsContact C-O 3.26Å; S1552-E1582 PolarHBondContact N-O 2.91Å | ||
| 1553 | P | 87.1 | Confident | 90.3 | Very high | 60 Ų | 60 | 39.1 Ų | 39.1 | 39% | 0.39 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -28.5 | -177.5 | -26.2 | 32.7 | 0 | 0 | 0 | 114.1 | N1557 E1582 | P1553-N1557 PolarHBondContact O-ND2 3.31Å; P1553-E1582 HydrophobicContact CB-CB 4.33Å; P1553-E1582 HydrophobicContact CB-CG 4.03Å; P1553-E1582 HydrophobicContact CG-CB 4.15Å; P1553-E1582 HydrophobicContact CG-CG 4.13Å; P1553-E1582 WeakPolarHBondContact CG-OE2 3.25Å |
| 1554 | V | 87.7 | Confident | 90.4 | Very high | 41.2 Ų | 41.2 | 36.5 Ų | 36.5 | 25% | 0.25 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -48.7 | -179.3 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | C1503 F1507 S1552 A1556 N1557 | C1503-V1554 HydrophobicContact CB-CG1 4.09Å; C1503-V1554 WeakPolarHBondContact CB-O 3.44Å; F1507-V1554 HydrophobicContact CD1-CG1 4.19Å; F1507-V1554 HydrophobicContact CD2-CG1 3.55Å; F1507-V1554 VanDerWaalsContact CD2-CG1 3.45Å; F1507-V1554 HydrophobicContact CE1-CB 4.33Å; F1507-V1554 HydrophobicContact CE1-CG1 3.82Å; F1507-V1554 HydrophobicContact CE1-CG2 4.32Å; F1507-V1554 HydrophobicContact CE2-CB 4.18Å; F1507-V1554 HydrophobicContact CE2-CG1 3.33Å; F1507-V1554 HydrophobicContact CG-CG1 4.02Å; F1507-V1554 HydrophobicContact CZ-CB 3.99Å; F1507-V1554 HydrophobicContact CZ-CG1 3.36Å; F1507-V1554 VanDerWaalsContact CZ-CG1 3.42Å; F1507-V1554 HydrophobicContact CZ-CG2 4.26Å; S1552-V1554 PolarHBondContact O-N 3.1Å; S1552-V1554 VanDerWaalsContact O-N 3.07Å; V1554-A1556 VanDerWaalsContact C-N 3.3Å; V1554-A1556 PolarHBondContact O-N 2.96Å; V1554-N1557 PolarHBondContact O-N 3.16Å; V1554-N1557 PolarHBondContact O-ND2 3.21Å |
| 1555 | L | 91.3 | Very high | 90.6 | Very high | 0.6 Ų | 0.6 | 38 Ų | 38 | 0% | 0.003 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -71.3 | -23.3 | -175.6 | -66.3 | -179.8 | 0 | 0 | 0 | 113.1 | F1507 P1532 V1534 S1552 N1557 C1558 A1559 L1562 I1584 I1608 H1610 L1613 A1616 | F1507-L1555 HydrophobicContact CE2-CD2 4.12Å; F1507-L1555 HydrophobicContact CZ-CD2 4.11Å; F1507-L1555 HydrophobicContact CZ-CG 4.45Å; P1532-L1555 HydrophobicContact CB-CD1 3.69Å; P1532-L1555 HydrophobicContact CB-CD2 3.74Å; P1532-L1555 HydrophobicContact CB-CG 3.85Å; P1532-L1555 HydrophobicContact CG-CD1 4.39Å; P1532-L1555 HydrophobicContact CG-CD2 3.99Å; P1532-L1555 HydrophobicContact CG-CG 4.42Å; V1534-L1555 HydrophobicContact CG2-CD1 4.08Å; S1552-L1555 PolarHBondContact O-N 3.16Å; S1552-L1555 WeakPolarHBondContact OG-CB 3.34Å; S1552-L1555 WeakPolarHBondContact OG-CG 3.46Å; S1552-L1555 PolarHBondContact OG-N 3.06Å; L1555-N1557 PolarHBondContact O-N 3.18Å; L1555-N1557 VanDerWaalsContact O-N 3.15Å; L1555-C1558 CarbonylContact O-C 3.51Å; L1555-C1558 PolarHBondContact O-N 3.09Å; L1555-C1558 PolarHBondContact O-SG 3.02Å; L1555-C1558 VanDerWaalsContact O-SG 3.38Å; L1555-A1559 PolarHBondContact O-N 2.98Å; L1555-L1562 HydrophobicContact CB-CD1 4.03Å; L1555-L1562 HydrophobicContact CB-CD2 4.27Å; L1555-L1562 HydrophobicContact CD1-CD1 4.45Å; L1555-L1562 HydrophobicContact CD1-CD2 4.1Å; L1555-L1562 HydrophobicContact CD2-CD2 3.91Å; L1555-L1562 HydrophobicContact CG-CD2 4.35Å; L1555-I1584 HydrophobicContact CB-CD1 3.83Å; L1555-I1608 HydrophobicContact CD1-CG2 4.01Å; L1555-H1610 HydrophobicContact CD2-CB 4.36Å; L1555-L1613 HydrophobicContact CD2-CD1 4.21Å; L1555-A1616 HydrophobicContact CD1-CB 4.19Å |
| 1556 | A | 90.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -57.8 | -27.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | S1552 V1554 C1558 Q1576 S1581 I1584 | S1552-A1556 WeakPolarHBondContact O-CB 3.37Å; S1552-A1556 PolarHBondContact O-N 2.99Å; S1552-A1556 VanDerWaalsContact O-N 3.07Å; V1554-A1556 VanDerWaalsContact C-N 3.3Å; V1554-A1556 PolarHBondContact O-N 2.96Å; A1556-C1558 VanDerWaalsContact C-N 3.27Å; A1556-C1558 PolarHBondContact O-N 3.2Å; A1556-Q1576 HydrophobicContact CB-CG 4.26Å; A1556-Q1576 WeakPolarHBondContact O-CB 3.17Å; A1556-Q1576 PolarHBondContact O-NE2 2.98Å; A1556-S1581 WeakPolarHBondContact CB-O 3.38Å; A1556-I1584 HydrophobicContact CB-CD1 4.39Å; A1556-I1584 HydrophobicContact CB-CG1 4.1Å |
| 1557 | N | 89 | Confident | 90.6 | Very high | 93.8 Ų | 93.8 | 34.4 Ų | 34.4 | 50% | 0.502 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -79.4 | -1.1 | 177.1 | -61.2 | -49 | 0 | 0 | 0 | 114.5 | C1503 P1553 V1554 L1555 | C1503-N1557 HydrophobicContact CB-CB 4.44Å; P1553-N1557 PolarHBondContact O-ND2 3.31Å; V1554-N1557 PolarHBondContact O-N 3.16Å; V1554-N1557 PolarHBondContact O-ND2 3.21Å; L1555-N1557 PolarHBondContact O-N 3.18Å; L1555-N1557 VanDerWaalsContact O-N 3.15Å |
| 1558 | C | 89.5 | Confident | 90.5 | Very high | 4.2 Ų | 4.2 | 32.1 Ų | 32.1 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -144.6 | 35.4 | -179.5 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | C1503 L1555 A1556 D1560 Q1561 | C1503-C1558 HydrophobicContact CB-CB 3.7Å; C1503-C1558 WeakPolarHBondContact CB-SG 3.29Å; C1503-C1558 WeakPolarHBondContact SG-CB 3.35Å; C1503-C1558 CovalentContact SG-SG 2.03Å; C1503-C1558 PolarHBondContact SG-SG 3.05Å; L1555-C1558 CarbonylContact O-C 3.51Å; L1555-C1558 PolarHBondContact O-N 3.09Å; L1555-C1558 PolarHBondContact O-SG 3.02Å; L1555-C1558 VanDerWaalsContact O-SG 3.38Å; A1556-C1558 VanDerWaalsContact C-N 3.27Å; A1556-C1558 PolarHBondContact O-N 3.2Å; C1558-D1560 PolarHBondContact O-N 2.91Å; C1558-D1560 VanDerWaalsContact O-N 3.15Å; C1558-Q1561 WeakPolarHBondContact O-CB 3.47Å; C1558-Q1561 PolarHBondContact O-N 2.9Å |
| 1559 | A | 90.7 | Very high | 90.4 | Very high | 7.2 Ų | 7.2 | 32 Ų | 32 | 6% | 0.06 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -55.9 | -32.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1555 Q1561 L1562 P1574 I1584 | L1555-A1559 PolarHBondContact O-N 2.98Å; A1559-Q1561 PolarHBondContact O-N 2.98Å; A1559-L1562 WeakPolarHBondContact O-CB 3.34Å; A1559-L1562 PolarHBondContact O-N 3.09Å; A1559-L1562 VanDerWaalsContact O-N 3.11Å; A1559-P1574 CarbonylContact C-O 3.59Å; A1559-P1574 WeakPolarHBondContact O-CG 3.36Å; A1559-I1584 HydrophobicContact CB-CG1 4.35Å; A1559-I1584 HydrophobicContact CB-CG2 4.12Å |
| 1560 | D | 88.6 | Confident | 90.4 | Very high | 130.8 Ų | 130.8 | 33.3 Ų | 33.3 | 70% | 0.699 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -66.5 | -14.5 | 177.6 | 64.7 | -49 | 0 | 0 | 0 | 114.3 | C1558 | C1558-D1560 PolarHBondContact O-N 2.91Å; C1558-D1560 VanDerWaalsContact O-N 3.15Å |
| 1561 | Q | 89.4 | Confident | 90.4 | Very high | 66.6 Ų | 66.6 | 33.6 Ų | 33.6 | 31% | 0.311 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -103.1 | 6.4 | 179.1 | -55.7 | -173.3 | -5.1 | 0 | 0 | 112.9 | C1558 A1559 H1610 N1611 | C1558-Q1561 WeakPolarHBondContact O-CB 3.47Å; C1558-Q1561 PolarHBondContact O-N 2.9Å; A1559-Q1561 PolarHBondContact O-N 2.98Å; Q1561-H1610 WeakPolarHBondContact O-CA 3.28Å; Q1561-H1610 PolarHBondContact OE1-CE1 2.82Å; Q1561-H1610 PolarHBondContact OE1-NE2 2.88Å; Q1561-H1610 VanDerWaalsContact OE1-NE2 3.1Å; Q1561-N1611 VanDerWaalsContact O-CG 3.27Å; Q1561-N1611 PolarHBondContact O-N 3.12Å; Q1561-N1611 VanDerWaalsContact O-N 3.11Å; Q1561-N1611 PolarHBondContact O-ND2 2.78Å |
| 1562 | L | 91.9 | Very high | 90.2 | Very high | 9.6 Ų | 9.6 | 34.7 Ų | 34.7 | 5% | 0.05 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 146.4 | -177.7 | -55.9 | 179.7 | 0 | 0 | 0 | 112.1 | L1555 A1559 I1564 P1574 I1584 S1609 H1610 | L1555-L1562 HydrophobicContact CB-CD1 4.03Å; L1555-L1562 HydrophobicContact CB-CD2 4.27Å; L1555-L1562 HydrophobicContact CD1-CD1 4.45Å; L1555-L1562 HydrophobicContact CD1-CD2 4.1Å; L1555-L1562 HydrophobicContact CD2-CD2 3.91Å; L1555-L1562 HydrophobicContact CG-CD2 4.35Å; A1559-L1562 WeakPolarHBondContact O-CB 3.34Å; A1559-L1562 PolarHBondContact O-N 3.09Å; A1559-L1562 VanDerWaalsContact O-N 3.11Å; L1562-I1564 HydrophobicContact CB-CG1 4.47Å; L1562-P1574 HydrophobicContact CB-CB 4.4Å; L1562-P1574 HydrophobicContact CB-CG 4.21Å; L1562-P1574 WeakPolarHBondContact O-CG 3.32Å; L1562-I1584 HydrophobicContact CD1-CD1 3.68Å; L1562-I1584 HydrophobicContact CD1-CG1 4.15Å; L1562-I1584 HydrophobicContact CD1-CG2 4.21Å; L1562-S1609 CarbonylContact C-O 3.51Å; L1562-S1609 VanDerWaalsContact CA-O 3.25Å; L1562-S1609 WeakPolarHBondContact CA-O 3.32Å; L1562-H1610 HydrophobicContact CD2-CB 3.88Å |
| 1563 | I | 91.3 | Very high | 89.9 | Confident | 80.6 Ų | 80.6 | 42.7 Ų | 42.7 | 41% | 0.413 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 115.7 | 164.3 | -57.6 | 172.1 | 0 | 0 | 0 | 106.3 | S1609 | I1563-S1609 WeakPolarHBondContact CB-OG 3.32Å; I1563-S1609 PolarHBondContact N-O 3.16Å; I1563-S1609 PolarHBondContact O-N 3.11Å; I1563-S1609 PolarHBondContact O-OG 3.03Å |
| 1564 | I | 93 | Very high | 90.1 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 118.4 | 176.7 | -59.6 | 175.7 | 0 | 0 | 0 | 107.1 | I1548 V1550 L1562 V1566 C1571 P1574 I1584 C1586 C1607 I1608 | I1548-I1564 HydrophobicContact CG2-CG2 4.4Å; V1550-I1564 HydrophobicContact CG2-CD1 4.06Å; L1562-I1564 HydrophobicContact CB-CG1 4.47Å; I1564-V1566 HydrophobicContact CG2-CG2 4.48Å; I1564-C1571 HydrophobicContact CB-CB 3.97Å; I1564-C1571 HydrophobicContact CG2-CB 4Å; I1564-C1571 WeakPolarHBondContact O-CA 3.17Å; I1564-C1571 VanDerWaalsContact O-CB 3.25Å; I1564-C1571 WeakPolarHBondContact O-CB 3.38Å; I1564-C1571 PolarHBondContact O-N 3Å; I1564-P1574 HydrophobicContact CD1-CB 4.07Å; I1564-P1574 HydrophobicContact CD1-CG 4.1Å; I1564-P1574 HydrophobicContact CG1-CG 4.36Å; I1564-I1584 HydrophobicContact CD1-CG2 4.03Å; I1564-C1586 HydrophobicContact CD1-CB 4.33Å; I1564-C1586 VanDerWaalsContact CD1-SG 3.56Å; I1564-C1607 WeakPolarHBondContact CA-O 3.38Å; I1564-I1608 HydrophobicContact CG1-CB 4.49Å; I1564-I1608 HydrophobicContact CG1-CG1 4.14Å; I1564-I1608 HydrophobicContact CG1-CG2 4.25Å; I1564-I1608 HydrophobicContact CG2-CG1 4.35Å |
| 1565 | N | 92.4 | Very high | 90.3 | Very high | 36.2 Ų | 36.2 | 43.4 Ų | 43.4 | 19% | 0.194 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 135.1 | 178.7 | -176 | -78.8 | 0 | 0 | 0 | 110 | G1568 A1569 D1570 C1607 | N1565-G1568 PolarHBondContact ND2-O 3.09Å; N1565-G1568 VanDerWaalsContact ND2-O 3.1Å; N1565-G1568 VanDerWaalsContact OD1-CA 3.28Å; N1565-G1568 WeakPolarHBondContact OD1-CA 3.4Å; N1565-G1568 PolarHBondContact OD1-N 3.16Å; N1565-A1569 CarbonylContact C-O 3.55Å; N1565-A1569 WeakPolarHBondContact CA-O 3.41Å; N1565-A1569 PolarHBondContact ND2-O 2.98Å; N1565-D1570 WeakPolarHBondContact CB-OD1 3.25Å; N1565-D1570 PolarHBondContact ND2-OD1 3.05Å; N1565-C1607 HydrophobicContact CB-CB 4.43Å; N1565-C1607 PolarHBondContact N-O 3.04Å; N1565-C1607 PolarHBondContact O-N 3.23Å |
| 1566 | V | 91.1 | Very high | 90.4 | Very high | 0.4 Ų | 0.4 | 47 Ų | 47 | 0% | 0.002 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 102.6 | 179 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | F1537 I1542 I1564 G1568 A1569 L1588 L1604 P1606 | F1537-V1566 HydrophobicContact CE2-CG2 4.05Å; F1537-V1566 HydrophobicContact CZ-CG1 4.37Å; F1537-V1566 HydrophobicContact CZ-CG2 4Å; I1542-V1566 HydrophobicContact CD1-CB 4.36Å; I1542-V1566 HydrophobicContact CD1-CG1 3.7Å; I1542-V1566 VanDerWaalsContact CD1-CG1 3.46Å; I1564-V1566 HydrophobicContact CG2-CG2 4.48Å; V1566-G1568 VanDerWaalsContact C-N 3.27Å; V1566-G1568 PolarHBondContact O-N 2.92Å; V1566-A1569 PolarHBondContact N-O 2.94Å; V1566-A1569 PolarHBondContact O-N 3.08Å; V1566-L1588 HydrophobicContact CB-CD1 4.28Å; V1566-L1588 HydrophobicContact CG2-CD1 4.49Å; V1566-L1604 HydrophobicContact CG1-CB 3.9Å; V1566-L1604 HydrophobicContact CG1-CD1 3.9Å; V1566-P1606 HydrophobicContact CG2-CB 4.47Å |
| 1567 | G | 86.1 | Confident | 90.3 | Very high | 29.4 Ų | 29.4 | 48.7 Ų | 48.7 | 30% | 0.303 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.2 | 15.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L1598 | G1567-L1598 VanDerWaalsContact O-CD2 3.26Å; G1567-L1598 WeakPolarHBondContact O-CD2 3.31Å |
| 1568 | G | 88.8 | Confident | 90.2 | Very high | 43.6 Ų | 43.6 | 51.7 Ų | 51.7 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.5 | -17.9 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | N1565 V1566 A1596 | N1565-G1568 PolarHBondContact ND2-O 3.09Å; N1565-G1568 VanDerWaalsContact ND2-O 3.1Å; N1565-G1568 VanDerWaalsContact OD1-CA 3.28Å; N1565-G1568 WeakPolarHBondContact OD1-CA 3.4Å; N1565-G1568 PolarHBondContact OD1-N 3.16Å; V1566-G1568 VanDerWaalsContact C-N 3.27Å; V1566-G1568 PolarHBondContact O-N 2.92Å; G1568-A1596 VanDerWaalsContact C-CB 3.45Å |
| 1569 | A | 91.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 125.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | N1565 V1566 L1588 Q1592 V1593 A1596 L1598 | N1565-A1569 CarbonylContact C-O 3.55Å; N1565-A1569 WeakPolarHBondContact CA-O 3.41Å; N1565-A1569 PolarHBondContact ND2-O 2.98Å; V1566-A1569 PolarHBondContact N-O 2.94Å; V1566-A1569 PolarHBondContact O-N 3.08Å; A1569-L1588 HydrophobicContact CB-CD1 3.71Å; A1569-L1588 HydrophobicContact CB-CG 4.45Å; A1569-Q1592 HydrophobicContact CB-CB 4.17Å; A1569-Q1592 WeakPolarHBondContact CB-O 3.41Å; A1569-V1593 HydrophobicContact CB-CG2 4.33Å; A1569-A1596 HydrophobicContact CB-CB 3.82Å; A1569-L1598 HydrophobicContact CB-CD1 4.05Å |
| 1570 | D | 91.9 | Very high | 90.1 | Very high | 70.2 Ų | 70.2 | 61.6 Ų | 61.6 | 38% | 0.375 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 126.4 | 176.5 | -72.9 | -25.6 | 0 | 0 | 0 | 110.7 | N1565 T1572 Q1592 | N1565-D1570 WeakPolarHBondContact CB-OD1 3.25Å; N1565-D1570 PolarHBondContact ND2-OD1 3.05Å; D1570-T1572 PolarHBondContact O-N 2.94Å; D1570-Q1592 WeakPolarHBondContact O-CB 3.11Å; D1570-Q1592 WeakPolarHBondContact O-CG 3.38Å |
| 1571 | C | 92 | Very high | 90.1 | Very high | 7 Ų | 7 | 59.2 Ų | 59.2 | 5% | 0.047 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 118.1 | 175.1 | -158.7 | 0 | 0 | 0 | 0 | 108.9 | I1564 C1586 N1587 L1588 | I1564-C1571 HydrophobicContact CB-CB 3.97Å; I1564-C1571 HydrophobicContact CG2-CB 4Å; I1564-C1571 WeakPolarHBondContact O-CA 3.17Å; I1564-C1571 VanDerWaalsContact O-CB 3.25Å; I1564-C1571 WeakPolarHBondContact O-CB 3.38Å; I1564-C1571 PolarHBondContact O-N 3Å; C1571-C1586 HydrophobicContact CB-CB 3.87Å; C1571-C1586 WeakPolarHBondContact CB-SG 3.34Å; C1571-C1586 WeakPolarHBondContact SG-CB 3.27Å; C1571-C1586 PolarHBondContact SG-O 2.81Å; C1571-C1586 CovalentContact SG-SG 2.02Å; C1571-C1586 PolarHBondContact SG-SG 2.82Å; C1571-N1587 PolarHBondContact SG-N 2.96Å; C1571-L1588 HydrophobicContact CB-CD1 4.3Å |
| 1572 | T | 89 | Confident | 90.2 | Very high | 42 Ų | 42 | 60.7 Ų | 60.7 | 26% | 0.258 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 142 | -168.8 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | D1570 C1586 N1587 I1589 Q1592 | D1570-T1572 PolarHBondContact O-N 2.94Å; T1572-C1586 WeakPolarHBondContact O-CB 3.38Å; T1572-N1587 PolarHBondContact N-O 3.12Å; T1572-N1587 PolarHBondContact O-N 2.97Å; T1572-N1587 PolarHBondContact OG1-O 3.09Å; T1572-I1589 HydrophobicContact CG2-CB 4.35Å; T1572-I1589 HydrophobicContact CG2-CD1 3.71Å; T1572-I1589 HydrophobicContact CG2-CG1 3.84Å; T1572-I1589 HydrophobicContact CG2-CG2 3.85Å; T1572-I1589 WeakPolarHBondContact OG1-CG2 3.41Å; T1572-Q1592 HydrophobicContact CG2-CG 4.3Å |
| 1573 | Q | 85.1 | Confident | 90.2 | Very high | 170.8 Ų | 170.8 | 60.4 Ų | 60.4 | 80% | 0.798 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 49.5 | 64.5 | 172.6 | -60 | -176.4 | -15.2 | 0 | 0 | 114.4 | F1575 | Q1573-F1575 WeakPolarHBondContact O-CD1 3.28Å; Q1573-F1575 PolarHBondContact O-N 3.07Å |
| 1574 | P | 91.3 | Very high | 90.3 | Very high | 21 Ų | 21 | 56.6 Ų | 56.6 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 130.7 | 172.3 | 15.4 | -19.6 | 0 | 0 | 0 | 111.8 | A1559 L1562 I1564 I1584 V1585 C1586 | A1559-P1574 CarbonylContact C-O 3.59Å; A1559-P1574 WeakPolarHBondContact O-CG 3.36Å; L1562-P1574 HydrophobicContact CB-CB 4.4Å; L1562-P1574 HydrophobicContact CB-CG 4.21Å; L1562-P1574 WeakPolarHBondContact O-CG 3.32Å; I1564-P1574 HydrophobicContact CD1-CB 4.07Å; I1564-P1574 HydrophobicContact CD1-CG 4.1Å; I1564-P1574 HydrophobicContact CG1-CG 4.36Å; P1574-I1584 HydrophobicContact CB-CG2 3.81Å; P1574-V1585 CarbonylContact C-O 3.54Å; P1574-V1585 WeakPolarHBondContact CA-O 3.11Å; P1574-C1586 HydrophobicContact CB-CB 4.16Å; P1574-C1586 HydrophobicContact CG-CB 3.91Å |
| 1575 | F | 92.8 | Very high | 90.4 | Very high | 94.4 Ų | 94.4 | 57 Ų | 57 | 41% | 0.414 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 155.5 | 176.5 | 65.4 | -87 | 0 | 0 | 0 | 110.8 | M1547 Q1573 I1584 V1585 | M1547-F1575 HydrophobicContact CE-CE1 4.31Å; M1547-F1575 HydrophobicContact CE-CZ 4.23Å; Q1573-F1575 WeakPolarHBondContact O-CD1 3.28Å; Q1573-F1575 PolarHBondContact O-N 3.07Å; F1575-I1584 CarbonylContact O-C 3.48Å; F1575-I1584 VanDerWaalsContact O-CA 3.31Å; F1575-I1584 WeakPolarHBondContact O-CA 3.24Å; F1575-V1585 VanDerWaalsContact CD1-O 3.29Å; F1575-V1585 WeakPolarHBondContact CD1-O 3.32Å; F1575-V1585 HydrophobicContact CE1-CB 4.16Å; F1575-V1585 HydrophobicContact CE1-CG1 4.32Å; F1575-V1585 HydrophobicContact CE2-CB 4.16Å; F1575-V1585 HydrophobicContact CZ-CB 3.85Å; F1575-V1585 HydrophobicContact CZ-CG1 4.04Å; F1575-V1585 PolarHBondContact N-O 2.76Å; F1575-V1585 PolarHBondContact O-N 2.97Å |
| 1576 | Q | 91.6 | Very high | 90.5 | Very high | 75.2 Ų | 75.2 | 55.3 Ų | 55.3 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 133 | 175.5 | -176.3 | 175.8 | 45.3 | 0 | 0 | 110.4 | A1556 I1578 S1581 S1583 | A1556-Q1576 HydrophobicContact CB-CG 4.26Å; A1556-Q1576 WeakPolarHBondContact O-CB 3.17Å; A1556-Q1576 PolarHBondContact O-NE2 2.98Å; Q1576-I1578 PolarHBondContact O-N 3.11Å; Q1576-S1581 PolarHBondContact NE2-O 3.08Å; Q1576-S1583 WeakPolarHBondContact CA-O 3.38Å |
| 1577 | D | 89.6 | Confident | 90.5 | Very high | 39 Ų | 39 | 57.1 Ų | 57.1 | 21% | 0.209 | 32% | 0.315 | C | S | . | . | trans | -63 | 136.3 | 175.9 | -164.4 | -23.7 | 0 | 0 | 0 | 110.3 | N1579 D1580 S1583 V1585 | D1577-N1579 VanDerWaalsContact C-N 3.25Å; D1577-N1579 PolarHBondContact O-N 3.11Å; D1577-N1579 WeakPolarHBondContact OD1-CB 3.41Å; D1577-N1579 PolarHBondContact OD1-N 3.27Å; D1577-N1579 PolarHBondContact OD1-ND2 3.37Å; D1577-D1580 CarbonylContact O-C 3.58Å; D1577-S1583 WeakPolarHBondContact CB-OG 3.29Å; D1577-S1583 PolarHBondContact N-O 3.02Å; D1577-S1583 VanDerWaalsContact N-O 3.07Å; D1577-V1585 HydrophobicContact CB-CG2 3.88Å | ||
| 1578 | I | 87.1 | Confident | 90.8 | Very high | 156.6 Ų | 156.6 | 55.7 Ų | 55.7 | 80% | 0.803 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -69.3 | -27.2 | 177.9 | -60.1 | 168.2 | 0 | 0 | 0 | 110.6 | Q1576 | Q1576-I1578 PolarHBondContact O-N 3.11Š|
| 1579 | N | 88.4 | Confident | 90.8 | Very high | 150 Ų | 150 | 55.7 Ų | 55.7 | 80% | 0.802 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -94.3 | -23.1 | -176.2 | -57.5 | -61.4 | 0 | 0 | 0 | 113.7 | D1577 | D1577-N1579 VanDerWaalsContact C-N 3.25Å; D1577-N1579 PolarHBondContact O-N 3.11Å; D1577-N1579 WeakPolarHBondContact OD1-CB 3.41Å; D1577-N1579 PolarHBondContact OD1-N 3.27Å; D1577-N1579 PolarHBondContact OD1-ND2 3.37Å |
| 1580 | D | 89.8 | Confident | 90.6 | Very high | 68.2 Ų | 68.2 | 56.7 Ų | 56.7 | 37% | 0.365 | 30% | 0.295 | S | S | . | . | trans | -139.7 | 104.3 | 179 | 177 | 10.8 | 0 | 0 | 0 | 110.4 | D1577 E1582 S1583 | D1577-D1580 CarbonylContact O-C 3.58Å; D1580-E1582 PolarHBondContact O-N 3.14Å; D1580-E1582 VanDerWaalsContact O-N 3.11Å; D1580-E1582 PolarHBondContact OD1-N 3.04Å; D1580-S1583 WeakPolarHBondContact CB-OG 3.23Å; D1580-S1583 PolarHBondContact O-N 2.99Å; D1580-S1583 PolarHBondContact O-OG 3.08Å; D1580-S1583 WeakPolarHBondContact OD2-CB 3.32Å | ||
| 1581 | S | 88.4 | Confident | 90.5 | Very high | 80.6 Ų | 80.6 | 59.7 Ų | 59.7 | 56% | 0.564 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -14.5 | -179 | 54.6 | 0 | 0 | 0 | 0 | 114.3 | A1556 Q1576 S1583 | A1556-S1581 WeakPolarHBondContact CB-O 3.38Å; Q1576-S1581 PolarHBondContact NE2-O 3.08Å; S1581-S1583 VanDerWaalsContact C-N 3.31Å |
| 1582 | E | 90.4 | Very high | 90.4 | Very high | 99.8 Ų | 99.8 | 62.1 Ų | 62.1 | 47% | 0.466 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 1.5 | 177.2 | -60.3 | -172.8 | 176.4 | 0 | 0 | 112.9 | S1551 S1552 P1553 D1580 | S1551-E1582 CarbonylContact C-O 3.59Å; S1552-E1582 CarbonylContact C-O 3.47Å; S1552-E1582 VanDerWaalsContact C-O 3.26Å; S1552-E1582 PolarHBondContact N-O 2.91Å; P1553-E1582 HydrophobicContact CB-CB 4.33Å; P1553-E1582 HydrophobicContact CB-CG 4.03Å; P1553-E1582 HydrophobicContact CG-CB 4.15Å; P1553-E1582 HydrophobicContact CG-CG 4.13Å; P1553-E1582 WeakPolarHBondContact CG-OE2 3.25Å; D1580-E1582 PolarHBondContact O-N 3.14Å; D1580-E1582 VanDerWaalsContact O-N 3.11Å; D1580-E1582 PolarHBondContact OD1-N 3.04Å |
| 1583 | S | 92.7 | Very high | 90.4 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.014 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 151.9 | -175.7 | 75.1 | 0 | 0 | 0 | 0 | 113.6 | V1550 Q1576 D1577 D1580 S1581 | V1550-S1583 CarbonylContact O-C 3.54Å; V1550-S1583 VanDerWaalsContact O-CA 3.32Å; V1550-S1583 WeakPolarHBondContact O-CA 3.27Å; Q1576-S1583 WeakPolarHBondContact CA-O 3.38Å; D1577-S1583 WeakPolarHBondContact CB-OG 3.29Å; D1577-S1583 PolarHBondContact N-O 3.02Å; D1577-S1583 VanDerWaalsContact N-O 3.07Å; D1580-S1583 WeakPolarHBondContact CB-OG 3.23Å; D1580-S1583 PolarHBondContact O-N 2.99Å; D1580-S1583 PolarHBondContact O-OG 3.08Å; D1580-S1583 WeakPolarHBondContact OD2-CB 3.32Å; S1581-S1583 VanDerWaalsContact C-N 3.31Å |
| 1584 | I | 94.4 | Very high | 90.5 | Very high | 0.2 Ų | 0.2 | 54 Ų | 54 | 0% | 0.001 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.9 | 178.9 | -57.5 | 133.7 | 0 | 0 | 0 | 107.6 | T1549 V1550 L1555 A1556 A1559 L1562 I1564 P1574 F1575 | T1549-I1584 CarbonylContact C-O 3.49Å; T1549-I1584 VanDerWaalsContact CA-O 3.31Å; T1549-I1584 WeakPolarHBondContact CA-O 3.38Å; V1550-I1584 HydrophobicContact CB-CB 4.44Å; V1550-I1584 HydrophobicContact CG2-CB 3.76Å; V1550-I1584 HydrophobicContact CG2-CD1 3.97Å; V1550-I1584 HydrophobicContact CG2-CG2 4.43Å; V1550-I1584 PolarHBondContact N-O 2.91Å; V1550-I1584 PolarHBondContact O-N 3.03Å; L1555-I1584 HydrophobicContact CB-CD1 3.83Å; A1556-I1584 HydrophobicContact CB-CD1 4.39Å; A1556-I1584 HydrophobicContact CB-CG1 4.1Å; A1559-I1584 HydrophobicContact CB-CG1 4.35Å; A1559-I1584 HydrophobicContact CB-CG2 4.12Å; L1562-I1584 HydrophobicContact CD1-CD1 3.68Å; L1562-I1584 HydrophobicContact CD1-CG1 4.15Å; L1562-I1584 HydrophobicContact CD1-CG2 4.21Å; I1564-I1584 HydrophobicContact CD1-CG2 4.03Å; P1574-I1584 HydrophobicContact CB-CG2 3.81Å; F1575-I1584 CarbonylContact O-C 3.48Å; F1575-I1584 VanDerWaalsContact O-CA 3.31Å; F1575-I1584 WeakPolarHBondContact O-CA 3.24Å |
| 1585 | V | 94 | Very high | 90.4 | Very high | 10.2 Ų | 10.2 | 57.4 Ų | 57.4 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 139.5 | 179.6 | -172.6 | 0 | 0 | 0 | 0 | 109.7 | M1547 I1548 T1549 P1574 F1575 D1577 | M1547-V1585 HydrophobicContact CB-CG1 4.35Å; M1547-V1585 HydrophobicContact CE-CG1 3.44Å; M1547-V1585 VanDerWaalsContact CE-CG1 3.42Å; M1547-V1585 HydrophobicContact SD-CG1 4.21Å; I1548-V1585 CarbonylContact O-C 3.47Å; I1548-V1585 VanDerWaalsContact O-CA 3.27Å; I1548-V1585 WeakPolarHBondContact O-CA 3.24Å; T1549-V1585 HydrophobicContact CG2-CG2 4.28Å; P1574-V1585 CarbonylContact C-O 3.54Å; P1574-V1585 WeakPolarHBondContact CA-O 3.11Å; F1575-V1585 VanDerWaalsContact CD1-O 3.29Å; F1575-V1585 WeakPolarHBondContact CD1-O 3.32Å; F1575-V1585 HydrophobicContact CE1-CB 4.16Å; F1575-V1585 HydrophobicContact CE1-CG1 4.32Å; F1575-V1585 HydrophobicContact CE2-CB 4.16Å; F1575-V1585 HydrophobicContact CZ-CB 3.85Å; F1575-V1585 HydrophobicContact CZ-CG1 4.04Å; F1575-V1585 PolarHBondContact N-O 2.76Å; F1575-V1585 PolarHBondContact O-N 2.97Å; D1577-V1585 HydrophobicContact CB-CG2 3.88Å |
| 1586 | C | 94 | Very high | 90.3 | Very high | 0.2 Ų | 0.2 | 54.6 Ų | 54.6 | 0% | 0.001 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 160 | 174.6 | 66.2 | 0 | 0 | 0 | 0 | 110.9 | M1547 I1548 I1564 C1571 T1572 P1574 | M1547-C1586 WeakPolarHBondContact CA-O 3.32Å; I1548-C1586 PolarHBondContact N-O 3.09Å; I1548-C1586 PolarHBondContact O-N 3.06Å; I1548-C1586 VanDerWaalsContact O-N 3.11Å; I1564-C1586 HydrophobicContact CD1-CB 4.33Å; I1564-C1586 VanDerWaalsContact CD1-SG 3.56Å; C1571-C1586 HydrophobicContact CB-CB 3.87Å; C1571-C1586 WeakPolarHBondContact CB-SG 3.34Å; C1571-C1586 WeakPolarHBondContact SG-CB 3.27Å; C1571-C1586 PolarHBondContact SG-O 2.81Å; C1571-C1586 CovalentContact SG-SG 2.02Å; C1571-C1586 PolarHBondContact SG-SG 2.82Å; T1572-C1586 WeakPolarHBondContact O-CB 3.38Å; P1574-C1586 HydrophobicContact CB-CB 4.16Å; P1574-C1586 HydrophobicContact CG-CB 3.91Å |
| 1587 | N | 92.7 | Very high | 90.2 | Very high | 37.8 Ų | 37.8 | 52.4 Ų | 52.4 | 20% | 0.202 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 128.6 | 179.9 | -173.7 | 16.3 | 0 | 0 | 0 | 112.5 | E1545 S1546 M1547 C1571 T1572 I1589 | E1545-N1587 VanDerWaalsContact C-OD1 3.31Å; E1545-N1587 VanDerWaalsContact CA-OD1 3.23Å; E1545-N1587 WeakPolarHBondContact CA-OD1 3.29Å; E1545-N1587 PolarHBondContact O-OD1 2.9Å; E1545-N1587 VanDerWaalsContact O-OD1 3.11Å; E1545-N1587 PolarHBondContact OE2-ND2 3.2Å; S1546-N1587 PolarHBondContact O-OD1 3.39Å; M1547-N1587 HydrophobicContact SD-CB 3.73Å; C1571-N1587 PolarHBondContact SG-N 2.96Å; T1572-N1587 PolarHBondContact N-O 3.12Å; T1572-N1587 PolarHBondContact O-N 2.97Å; T1572-N1587 PolarHBondContact OG1-O 3.09Å; N1587-I1589 HydrophobicContact CB-CG2 4.45Å; N1587-I1589 WeakPolarHBondContact ND2-CG2 3.4Å; N1587-I1589 PolarHBondContact O-N 3.25Å |
| 1588 | L | 90.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 79.2 | 176 | -164.1 | 71.6 | 0 | 0 | 0 | 111.8 | I1542 E1545 S1546 I1548 V1566 A1569 C1571 V1593 L1598 | I1542-L1588 HydrophobicContact CD1-CD2 4.01Å; I1542-L1588 HydrophobicContact CG2-CD2 3.59Å; I1542-L1588 VanDerWaalsContact CG2-CD2 3.5Å; E1545-L1588 WeakPolarHBondContact CA-O 3.23Å; E1545-L1588 PolarHBondContact N-O 3.3Å; S1546-L1588 PolarHBondContact O-N 2.91Å; S1546-L1588 VanDerWaalsContact O-N 3.13Å; I1548-L1588 HydrophobicContact CG1-CB 4.44Å; V1566-L1588 HydrophobicContact CB-CD1 4.28Å; V1566-L1588 HydrophobicContact CG2-CD1 4.49Å; A1569-L1588 HydrophobicContact CB-CD1 3.71Å; A1569-L1588 HydrophobicContact CB-CG 4.45Å; C1571-L1588 HydrophobicContact CB-CD1 4.3Å; L1588-V1593 HydrophobicContact CD1-CG2 4.38Å; L1588-V1593 HydrophobicContact CD2-CG2 3.85Å; L1588-V1593 HydrophobicContact CG-CG2 3.75Å; L1588-L1598 HydrophobicContact CD2-CD1 4.45Å |
| 1589 | I | 90.2 | Very high | 90.6 | Very high | 43.8 Ų | 43.8 | 44.7 Ų | 44.7 | 23% | 0.225 | 25% | 0.252 | C | S | . | . | trans | -62.8 | 148.4 | -173.3 | 61.3 | 169.3 | 0 | 0 | 0 | 114.1 | E1545 T1572 N1587 E1591 Q1592 V1593 | E1545-I1589 VanDerWaalsContact OE1-CA 3.3Å; E1545-I1589 WeakPolarHBondContact OE1-CA 3.3Å; T1572-I1589 HydrophobicContact CG2-CB 4.35Å; T1572-I1589 HydrophobicContact CG2-CD1 3.71Å; T1572-I1589 HydrophobicContact CG2-CG1 3.84Å; T1572-I1589 HydrophobicContact CG2-CG2 3.85Å; T1572-I1589 WeakPolarHBondContact OG1-CG2 3.41Å; N1587-I1589 HydrophobicContact CB-CG2 4.45Å; N1587-I1589 WeakPolarHBondContact ND2-CG2 3.4Å; N1587-I1589 PolarHBondContact O-N 3.25Å; I1589-E1591 VanDerWaalsContact C-N 3.27Å; I1589-E1591 HydrophobicContact CD1-CB 4.49Å; I1589-E1591 PolarHBondContact O-N 3.21Å; I1589-E1591 VanDerWaalsContact O-N 3.14Å; I1589-Q1592 HydrophobicContact CD1-CG 3.84Å; I1589-Q1592 HydrophobicContact CG1-CB 4.01Å; I1589-Q1592 HydrophobicContact CG1-CG 3.52Å; I1589-Q1592 VanDerWaalsContact CG1-CG 3.48Å; I1589-Q1592 PolarHBondContact O-N 3.09Å; I1589-Q1592 VanDerWaalsContact O-N 3.11Å; I1589-V1593 PolarHBondContact O-N 3.11Å | ||
| 1590 | E | 87 | Confident | 90.7 | Very high | 22.4 Ų | 22.4 | 37.9 Ų | 37.9 | 11% | 0.105 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -53.2 | -38.6 | -176.1 | -170.3 | -169.2 | -169.4 | 0 | 0 | 113.1 | A1544 E1545 Q1592 V1593 K1594 N1636 K1639 | A1544-E1590 HydrophobicContact CB-CB 4.17Å; A1544-E1590 HydrophobicContact CB-CG 4.26Å; E1545-E1590 WeakPolarHBondContact OE1-CB 3.25Å; E1545-E1590 PolarHBondContact OE1-N 3.06Å; E1590-Q1592 VanDerWaalsContact C-N 3.32Å; E1590-Q1592 PolarHBondContact O-N 3.38Å; E1590-V1593 PolarHBondContact O-N 3.05Å; E1590-K1594 VanDerWaalsContact CD-CE 3.48Å; E1590-K1594 VanDerWaalsContact CD-NZ 3.27Å; E1590-K1594 HydrophobicContact CG-CD 4.15Å; E1590-K1594 VanDerWaalsContact CG-CE 3.49Å; E1590-K1594 HydrophobicContact CG-CG 4.45Å; E1590-K1594 WeakPolarHBondContact O-CB 3.15Å; E1590-K1594 VanDerWaalsContact O-CG 3.28Å; E1590-K1594 WeakPolarHBondContact O-CG 3.41Å; E1590-K1594 PolarHBondContact O-N 2.97Å; E1590-K1594 WeakPolarHBondContact OE1-CE 3.31Å; E1590-K1594 IonicContact OE1-NZ 3.21Å; E1590-K1594 PolarHBondContact OE1-NZ 3Å; E1590-K1594 IonicContact OE2-NZ 3.01Å; E1590-K1594 PolarHBondContact OE2-NZ 2.97Å; E1590-N1636 VanDerWaalsContact OE1-CB 3.31Å; E1590-N1636 WeakPolarHBondContact OE1-CB 3.39Å; E1590-N1636 PolarHBondContact OE2-ND2 2.97Å; E1590-K1639 IonicContact OE2-NZ 3.02Å; E1590-K1639 PolarHBondContact OE2-NZ 3.13Å |
| 1591 | E | 88.4 | Confident | 90.5 | Very high | 131.6 Ų | 131.6 | 35.8 Ų | 35.8 | 62% | 0.615 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -66.9 | -36.6 | -178.9 | -169.9 | 133.1 | -164.9 | 0 | 0 | 112.8 | I1589 S1595 | I1589-E1591 VanDerWaalsContact C-N 3.27Å; I1589-E1591 HydrophobicContact CD1-CB 4.49Å; I1589-E1591 PolarHBondContact O-N 3.21Å; I1589-E1591 VanDerWaalsContact O-N 3.14Å; E1591-S1595 VanDerWaalsContact O-CB 3.3Å; E1591-S1595 WeakPolarHBondContact O-CB 3.31Å; E1591-S1595 PolarHBondContact O-N 3.11Å; E1591-S1595 VanDerWaalsContact O-N 3.07Å; E1591-S1595 PolarHBondContact O-OG 3.1Å |
| 1592 | Q | 90 | Very high | 90.4 | Very high | 59.2 Ų | 59.2 | 35.4 Ų | 35.4 | 28% | 0.277 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -71.5 | -41.2 | 177.6 | -67.4 | -64 | -28 | 0 | 0 | 110.8 | A1569 D1570 T1572 I1589 E1590 K1594 S1595 A1596 | A1569-Q1592 HydrophobicContact CB-CB 4.17Å; A1569-Q1592 WeakPolarHBondContact CB-O 3.41Å; D1570-Q1592 WeakPolarHBondContact O-CB 3.11Å; D1570-Q1592 WeakPolarHBondContact O-CG 3.38Å; T1572-Q1592 HydrophobicContact CG2-CG 4.3Å; I1589-Q1592 HydrophobicContact CD1-CG 3.84Å; I1589-Q1592 HydrophobicContact CG1-CB 4.01Å; I1589-Q1592 HydrophobicContact CG1-CG 3.52Å; I1589-Q1592 VanDerWaalsContact CG1-CG 3.48Å; I1589-Q1592 PolarHBondContact O-N 3.09Å; I1589-Q1592 VanDerWaalsContact O-N 3.11Å; E1590-Q1592 VanDerWaalsContact C-N 3.32Å; E1590-Q1592 PolarHBondContact O-N 3.38Å; Q1592-K1594 PolarHBondContact O-N 2.86Å; Q1592-S1595 WeakPolarHBondContact CA-OG 3.39Å; Q1592-S1595 PolarHBondContact O-N 3.13Å; Q1592-S1595 PolarHBondContact O-OG 3.13Å; Q1592-A1596 VanDerWaalsContact O-CB 3.28Å; Q1592-A1596 WeakPolarHBondContact O-CB 3.35Å; Q1592-A1596 PolarHBondContact O-N 2.81Å |
| 1593 | V | 90.2 | Very high | 90.2 | Very high | 1.6 Ų | 1.6 | 33.1 Ų | 33.1 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.4 | -46.7 | 174.5 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | A1544 A1569 L1588 I1589 E1590 S1595 A1596 G1597 L1598 F1631 | A1544-V1593 HydrophobicContact CB-CG2 4.35Å; A1569-V1593 HydrophobicContact CB-CG2 4.33Å; L1588-V1593 HydrophobicContact CD1-CG2 4.38Å; L1588-V1593 HydrophobicContact CD2-CG2 3.85Å; L1588-V1593 HydrophobicContact CG-CG2 3.75Å; I1589-V1593 PolarHBondContact O-N 3.11Å; E1590-V1593 PolarHBondContact O-N 3.05Å; V1593-S1595 PolarHBondContact O-N 2.81Å; V1593-A1596 PolarHBondContact O-N 3.14Å; V1593-G1597 PolarHBondContact O-N 3.34Å; V1593-L1598 HydrophobicContact CB-CD1 4.48Å; V1593-L1598 HydrophobicContact CG1-CB 4.2Å; V1593-L1598 HydrophobicContact CG1-CD1 4.17Å; V1593-L1598 HydrophobicContact CG1-CG 4.37Å; V1593-L1598 HydrophobicContact CG2-CD1 4.27Å; V1593-L1598 PolarHBondContact O-N 3.11Å; V1593-F1631 HydrophobicContact CG1-CE1 4.13Å; V1593-F1631 HydrophobicContact CG1-CE2 3.71Å; V1593-F1631 HydrophobicContact CG1-CZ 3.33Å; V1593-F1631 HydrophobicContact CG2-CE2 4.27Å |
| 1594 | K | 87.4 | Confident | 90 | Very high | 40.6 Ų | 40.6 | 33.1 Ų | 33.1 | 18% | 0.177 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 178.7 | -75.1 | 173.4 | 178.5 | 173.5 | 0 | 112.5 | E1590 Q1592 A1596 G1597 G1656 S1684 G1685 | E1590-K1594 VanDerWaalsContact CD-CE 3.48Å; E1590-K1594 VanDerWaalsContact CD-NZ 3.27Å; E1590-K1594 HydrophobicContact CG-CD 4.15Å; E1590-K1594 VanDerWaalsContact CG-CE 3.49Å; E1590-K1594 HydrophobicContact CG-CG 4.45Å; E1590-K1594 WeakPolarHBondContact O-CB 3.15Å; E1590-K1594 VanDerWaalsContact O-CG 3.28Å; E1590-K1594 WeakPolarHBondContact O-CG 3.41Å; E1590-K1594 PolarHBondContact O-N 2.97Å; E1590-K1594 WeakPolarHBondContact OE1-CE 3.31Å; E1590-K1594 IonicContact OE1-NZ 3.21Å; E1590-K1594 PolarHBondContact OE1-NZ 3Å; E1590-K1594 IonicContact OE2-NZ 3.01Å; E1590-K1594 PolarHBondContact OE2-NZ 2.97Å; Q1592-K1594 PolarHBondContact O-N 2.86Å; K1594-A1596 VanDerWaalsContact C-N 3.33Å; K1594-G1597 PolarHBondContact O-N 3.08Å; K1594-G1597 VanDerWaalsContact O-N 3.15Å; K1594-G1656 WeakPolarHBondContact CE-O 3.27Å; K1594-S1684 WeakPolarHBondContact O-CB 3.4Å; K1594-S1684 PolarHBondContact O-OG 3.09Å; K1594-G1685 VanDerWaalsContact CE-CA 3.45Å; K1594-G1685 WeakPolarHBondContact CE-O 3.44Å; K1594-G1685 PolarHBondContact NZ-O 3.28Å |
| 1595 | S | 88.7 | Confident | 89.6 | Confident | 91.2 Ų | 91.2 | 37.8 Ų | 37.8 | 64% | 0.638 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -68.9 | -37.3 | 179.2 | -45.5 | 0 | 0 | 0 | 0 | 112.1 | E1591 Q1592 V1593 G1597 | E1591-S1595 VanDerWaalsContact O-CB 3.3Å; E1591-S1595 WeakPolarHBondContact O-CB 3.31Å; E1591-S1595 PolarHBondContact O-N 3.11Å; E1591-S1595 VanDerWaalsContact O-N 3.07Å; E1591-S1595 PolarHBondContact O-OG 3.1Å; Q1592-S1595 WeakPolarHBondContact CA-OG 3.39Å; Q1592-S1595 PolarHBondContact O-N 3.13Å; Q1592-S1595 PolarHBondContact O-OG 3.13Å; V1593-S1595 PolarHBondContact O-N 2.81Å; S1595-G1597 VanDerWaalsContact C-N 3.28Å; S1595-G1597 PolarHBondContact O-N 2.73Å |
| 1596 | A | 90.3 | Very high | 89.4 | Confident | 37.2 Ų | 37.2 | 37.6 Ų | 37.6 | 31% | 0.307 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -72.1 | -20.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G1568 A1569 Q1592 V1593 K1594 L1598 | G1568-A1596 VanDerWaalsContact C-CB 3.45Å; A1569-A1596 HydrophobicContact CB-CB 3.82Å; Q1592-A1596 VanDerWaalsContact O-CB 3.28Å; Q1592-A1596 WeakPolarHBondContact O-CB 3.35Å; Q1592-A1596 PolarHBondContact O-N 2.81Å; V1593-A1596 PolarHBondContact O-N 3.14Å; K1594-A1596 VanDerWaalsContact C-N 3.33Å; A1596-L1598 HydrophobicContact CB-CD2 4.06Å; A1596-L1598 HydrophobicContact CB-CG 4.09Å |
| 1597 | G | 90.7 | Very high | 89.2 | Confident | 28.8 Ų | 28.8 | 40.2 Ų | 40.2 | 30% | 0.297 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 36.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1593 K1594 S1595 L1599 | V1593-G1597 PolarHBondContact O-N 3.34Å; K1594-G1597 PolarHBondContact O-N 3.08Å; K1594-G1597 VanDerWaalsContact O-N 3.15Å; S1595-G1597 VanDerWaalsContact C-N 3.28Å; S1595-G1597 PolarHBondContact O-N 2.73Å; G1597-L1599 PolarHBondContact O-N 3.16Å |
| 1598 | L | 91.9 | Very high | 89.2 | Confident | 2.6 Ų | 2.6 | 38.5 Ų | 38.5 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | trans | -62 | 134.7 | -179 | -56.7 | -175.1 | 0 | 0 | 0 | 111.3 | G1567 A1569 L1588 V1593 A1596 L1604 F1631 G1658 | G1567-L1598 VanDerWaalsContact O-CD2 3.26Å; G1567-L1598 WeakPolarHBondContact O-CD2 3.31Å; A1569-L1598 HydrophobicContact CB-CD1 4.05Å; L1588-L1598 HydrophobicContact CD2-CD1 4.45Å; V1593-L1598 HydrophobicContact CB-CD1 4.48Å; V1593-L1598 HydrophobicContact CG1-CB 4.2Å; V1593-L1598 HydrophobicContact CG1-CD1 4.17Å; V1593-L1598 HydrophobicContact CG1-CG 4.37Å; V1593-L1598 HydrophobicContact CG2-CD1 4.27Å; V1593-L1598 PolarHBondContact O-N 3.11Å; A1596-L1598 HydrophobicContact CB-CD2 4.06Å; A1596-L1598 HydrophobicContact CB-CG 4.09Å; L1598-L1604 HydrophobicContact CD1-CD1 3.92Å; L1598-L1604 HydrophobicContact CD2-CD1 4.27Å; L1598-L1604 HydrophobicContact CD2-CD2 4.12Å; L1598-F1631 HydrophobicContact CB-CD1 3.87Å; L1598-F1631 HydrophobicContact CB-CD2 4.11Å; L1598-F1631 HydrophobicContact CB-CE1 4.11Å; L1598-F1631 HydrophobicContact CB-CE2 4.34Å; L1598-F1631 HydrophobicContact CB-CG 3.91Å; L1598-F1631 HydrophobicContact CB-CZ 4.36Å; L1598-F1631 HydrophobicContact CD1-CD2 3.78Å; L1598-F1631 HydrophobicContact CD1-CE2 3.98Å; L1598-F1631 HydrophobicContact CD1-CG 4.35Å; L1598-F1631 HydrophobicContact CG-CD2 4.48Å; L1598-G1658 WeakPolarHBondContact O-CA 3.34Å | ||
| 1599 | L | 91.4 | Very high | 89.2 | Confident | 29.8 Ų | 29.8 | 39.7 Ų | 39.7 | 16% | 0.156 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -110.7 | 149.2 | -176.1 | -60.3 | 179.1 | 0 | 0 | 0 | 112 | G1597 G1601 Q1602 F1659 D1660 R1714 | G1597-L1599 PolarHBondContact O-N 3.16Å; L1599-G1601 PolarHBondContact O-N 2.96Å; L1599-Q1602 VanDerWaalsContact N-OE1 3.13Å; L1599-Q1602 VanDerWaalsContact O-CB 3.22Å; L1599-Q1602 WeakPolarHBondContact O-CB 3.36Å; L1599-Q1602 PolarHBondContact O-N 2.96Å; L1599-Q1602 VanDerWaalsContact O-N 3.12Å; L1599-F1659 VanDerWaalsContact CD2-O 3.23Å; L1599-F1659 WeakPolarHBondContact CD2-O 3.18Å; L1599-D1660 HydrophobicContact CD2-CB 4.4Å; L1599-R1714 VanDerWaalsContact CD1-CZ 3.44Å |
| 1600 | T | 91.3 | Very high | 89.2 | Confident | 8.4 Ų | 8.4 | 37.7 Ų | 37.7 | 5% | 0.052 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 127.5 | 174.3 | -65.2 | 0 | 0 | 0 | 0 | 112.4 | Q1602 F1631 P1633 G1658 I1711 P1713 I1720 | T1600-Q1602 VanDerWaalsContact C-N 3.31Å; T1600-F1631 CarbonylContact C-O 3.56Å; T1600-F1631 WeakPolarHBondContact CA-O 3.42Å; T1600-P1633 HydrophobicContact CG2-CG 3.94Å; T1600-P1633 VanDerWaalsContact OG1-CB 3.3Å; T1600-P1633 WeakPolarHBondContact OG1-CB 3.45Å; T1600-P1633 WeakPolarHBondContact OG1-CD 3.25Å; T1600-P1633 WeakPolarHBondContact OG1-CG 3.47Å; T1600-G1658 PolarHBondContact N-O 3.11Å; T1600-G1658 VanDerWaalsContact N-O 3.15Å; T1600-G1658 PolarHBondContact OG1-O 2.98Å; T1600-I1711 HydrophobicContact CG2-CB 4.34Å; T1600-I1711 HydrophobicContact CG2-CG2 4.24Å; T1600-P1713 HydrophobicContact CG2-CG 4.17Å; T1600-I1720 HydrophobicContact CG2-CB 4.38Å; T1600-I1720 HydrophobicContact CG2-CD1 3.86Å |
| 1601 | G | 86.3 | Confident | 89.1 | Confident | 23.8 Ų | 23.8 | 40.8 Ų | 40.8 | 25% | 0.245 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 4.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1599 A1603 F1631 | L1599-G1601 PolarHBondContact O-N 2.96Å; G1601-A1603 PolarHBondContact O-N 3.13Å; G1601-F1631 PolarHBondContact N-O 3.12Å |
| 1602 | Q | 86.6 | Confident | 88.8 | Confident | 72 Ų | 72 | 38.6 Ų | 38.6 | 34% | 0.336 | 23% | 0.231 | S | C | . | . | trans | -68.6 | 129 | 175.4 | -169.9 | -176 | -13.9 | 0 | 0 | 110.4 | L1599 T1600 L1604 F1630 F1631 | L1599-Q1602 VanDerWaalsContact N-OE1 3.13Å; L1599-Q1602 VanDerWaalsContact O-CB 3.22Å; L1599-Q1602 WeakPolarHBondContact O-CB 3.36Å; L1599-Q1602 PolarHBondContact O-N 2.96Å; L1599-Q1602 VanDerWaalsContact O-N 3.12Å; T1600-Q1602 VanDerWaalsContact C-N 3.31Å; Q1602-L1604 HydrophobicContact CB-CD2 4.06Å; Q1602-L1604 VanDerWaalsContact CD-CD2 3.45Å; Q1602-L1604 HydrophobicContact CG-CD2 3.56Å; Q1602-L1604 HydrophobicContact CG-CG 4.44Å; Q1602-L1604 PolarHBondContact O-N 3Å; Q1602-F1630 WeakPolarHBondContact O-CA 3.25Å; Q1602-F1631 PolarHBondContact O-N 3.01Å; Q1602-F1631 VanDerWaalsContact O-N 3.14Å | ||
| 1603 | A | 85.5 | Confident | 88.6 | Confident | 52.2 Ų | 52.2 | 36 Ų | 36 | 43% | 0.431 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 118.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | G1601 Y1628 A1629 F1630 | G1601-A1603 PolarHBondContact O-N 3.13Å; A1603-Y1628 HydrophobicContact CB-CD1 4.1Å; A1603-Y1628 HydrophobicContact CB-CG 4.24Å; A1603-A1629 CarbonylContact C-O 3.55Å; A1603-A1629 WeakPolarHBondContact CA-O 3.43Å; A1603-F1630 HydrophobicContact CB-CD1 4.24Å; A1603-F1630 HydrophobicContact CB-CE1 3.83Å; A1603-F1630 HydrophobicContact CB-CZ 4.46Å |
| 1604 | L | 88.6 | Confident | 88.5 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 126.5 | -176.2 | -51.3 | -174 | 0 | 0 | 0 | 109.3 | I1542 V1566 L1598 Q1602 P1606 Y1628 A1629 F1631 | I1542-L1604 HydrophobicContact CD1-CD1 3.95Å; V1566-L1604 HydrophobicContact CG1-CB 3.9Å; V1566-L1604 HydrophobicContact CG1-CD1 3.9Å; L1598-L1604 HydrophobicContact CD1-CD1 3.92Å; L1598-L1604 HydrophobicContact CD2-CD1 4.27Å; L1598-L1604 HydrophobicContact CD2-CD2 4.12Å; Q1602-L1604 HydrophobicContact CB-CD2 4.06Å; Q1602-L1604 VanDerWaalsContact CD-CD2 3.45Å; Q1602-L1604 HydrophobicContact CG-CD2 3.56Å; Q1602-L1604 HydrophobicContact CG-CG 4.44Å; Q1602-L1604 PolarHBondContact O-N 3Å; L1604-P1606 WeakPolarHBondContact O-CD 3.28Å; L1604-Y1628 CarbonylContact O-C 3.52Å; L1604-Y1628 WeakPolarHBondContact O-CA 3.26Å; L1604-A1629 WeakPolarHBondContact CA-O 3.44Å; L1604-A1629 WeakPolarHBondContact CB-O 3.47Å; L1604-A1629 PolarHBondContact N-O 2.95Å; L1604-A1629 PolarHBondContact O-N 3.02Å; L1604-F1631 HydrophobicContact CD1-CB 3.9Å; L1604-F1631 HydrophobicContact CD1-CD2 4.31Å; L1604-F1631 HydrophobicContact CD1-CG 4.43Å; L1604-F1631 HydrophobicContact CG-CB 4.35Å |
| 1605 | R | 85.8 | Confident | 88.7 | Confident | 99.4 Ų | 99.4 | 36.7 Ų | 36.7 | 38% | 0.375 | 23% | 0.226 | S | C | . | . | trans | -98.2 | 118.6 | 173.1 | -169.3 | 173.3 | -174.7 | -138.3 | 2.7 | 108.9 | N1444 C1607 L1618 Y1628 | N1444-R1605 PolarHBondContact ND2-NH1 3.16Å; N1444-R1605 VanDerWaalsContact ND2-NH1 3.2Å; N1444-R1605 PolarHBondContact ND2-NH2 2.76Å; R1605-C1607 PolarHBondContact O-N 2.92Å; R1605-L1618 HydrophobicContact CG-CD2 3.86Å; R1605-Y1628 HydrophobicContact CB-CD1 4.14Å; R1605-Y1628 HydrophobicContact CB-CE1 4.18Å; R1605-Y1628 HydrophobicContact CG-CE1 4.49Å | ||
| 1606 | P | 88.9 | Confident | 88.9 | Confident | 5.2 Ų | 5.2 | 33.1 Ų | 33.1 | 3% | 0.034 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 138.7 | 176.4 | -13.3 | 21.8 | 0 | 0 | 0 | 111.3 | F1537 V1566 L1604 I1608 L1618 Q1627 | F1537-P1606 HydrophobicContact CB-CG 4.27Å; F1537-P1606 HydrophobicContact CD1-CG 4.06Å; F1537-P1606 HydrophobicContact CD2-CB 3.58Å; F1537-P1606 VanDerWaalsContact CD2-CB 3.49Å; F1537-P1606 HydrophobicContact CD2-CG 3.69Å; F1537-P1606 HydrophobicContact CE1-CB 4.48Å; F1537-P1606 HydrophobicContact CE1-CG 4.2Å; F1537-P1606 HydrophobicContact CE2-CB 3.51Å; F1537-P1606 HydrophobicContact CE2-CG 3.83Å; F1537-P1606 HydrophobicContact CG-CB 4.16Å; F1537-P1606 HydrophobicContact CG-CG 3.8Å; F1537-P1606 HydrophobicContact CZ-CB 4.09Å; F1537-P1606 HydrophobicContact CZ-CG 4.1Å; V1566-P1606 HydrophobicContact CG2-CB 4.47Å; L1604-P1606 WeakPolarHBondContact O-CD 3.28Å; P1606-I1608 HydrophobicContact CB-CD1 4.1Å; P1606-L1618 HydrophobicContact CB-CD2 4.12Å; P1606-L1618 HydrophobicContact CG-CD2 4.09Å; P1606-L1618 VanDerWaalsContact O-CD1 3.23Å; P1606-L1618 WeakPolarHBondContact O-CD1 3.38Å; P1606-Q1627 WeakPolarHBondContact CD-O 2.99Å |
| 1607 | C | 90.7 | Very high | 88.9 | Confident | 53.6 Ų | 53.6 | 32.3 Ų | 32.3 | 36% | 0.362 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 111.3 | 178.1 | -134.6 | 0 | 0 | 0 | 0 | 108.4 | I1564 N1565 R1605 L1615 | I1564-C1607 WeakPolarHBondContact CA-O 3.38Å; N1565-C1607 HydrophobicContact CB-CB 4.43Å; N1565-C1607 PolarHBondContact N-O 3.04Å; N1565-C1607 PolarHBondContact O-N 3.23Å; R1605-C1607 PolarHBondContact O-N 2.92Å; C1607-L1615 HydrophobicContact CB-CD2 4.35Å; C1607-L1615 WeakPolarHBondContact SG-CD2 3.3Å |
| 1608 | I | 92.6 | Very high | 88.8 | Confident | 3.6 Ų | 3.6 | 31.4 Ų | 31.4 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 125.8 | 179.4 | -58.7 | 82.9 | 0 | 0 | 0 | 107.3 | V1534 V1550 L1555 I1564 P1606 L1615 A1616 L1618 | V1534-I1608 HydrophobicContact CG1-CD1 4.43Å; V1534-I1608 HydrophobicContact CG2-CB 4.3Å; V1534-I1608 HydrophobicContact CG2-CD1 4.18Å; V1534-I1608 HydrophobicContact CG2-CG1 4.21Å; V1534-I1608 HydrophobicContact CG2-CG2 4.35Å; V1550-I1608 HydrophobicContact CG1-CD1 4.35Å; V1550-I1608 HydrophobicContact CG1-CG1 4.24Å; V1550-I1608 HydrophobicContact CG2-CG1 4.4Å; L1555-I1608 HydrophobicContact CD1-CG2 4.01Å; I1564-I1608 HydrophobicContact CG1-CB 4.49Å; I1564-I1608 HydrophobicContact CG1-CG1 4.14Å; I1564-I1608 HydrophobicContact CG1-CG2 4.25Å; I1564-I1608 HydrophobicContact CG2-CG1 4.35Å; P1606-I1608 HydrophobicContact CB-CD1 4.1Å; I1608-L1615 CarbonylContact O-C 3.58Å; I1608-L1615 WeakPolarHBondContact O-CA 3.2Å; I1608-A1616 HydrophobicContact CB-CB 4.07Å; I1608-A1616 HydrophobicContact CG2-CB 4.3Å; I1608-A1616 PolarHBondContact O-N 3.02Å; I1608-L1618 HydrophobicContact CD1-CD1 4.15Å |
| 1609 | S | 91.4 | Very high | 88.5 | Confident | 23.8 Ų | 23.8 | 33.6 Ų | 33.6 | 17% | 0.166 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 143.9 | 177.5 | 151.9 | 0 | 0 | 0 | 0 | 110.6 | L1562 I1563 G1614 | L1562-S1609 CarbonylContact C-O 3.51Å; L1562-S1609 VanDerWaalsContact CA-O 3.25Å; L1562-S1609 WeakPolarHBondContact CA-O 3.32Å; I1563-S1609 WeakPolarHBondContact CB-OG 3.32Å; I1563-S1609 PolarHBondContact N-O 3.16Å; I1563-S1609 PolarHBondContact O-N 3.11Å; I1563-S1609 PolarHBondContact O-OG 3.03Å; S1609-G1614 CarbonylContact C-O 3.47Å; S1609-G1614 VanDerWaalsContact CA-O 3.31Å; S1609-G1614 WeakPolarHBondContact CA-O 3.21Å; S1609-G1614 PolarHBondContact OG-O 2.9Å |
| 1610 | H | 90.4 | Very high | 87.7 | Confident | 1.8 Ų | 1.8 | 33 Ų | 33 | 1% | 0.008 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 138.4 | 171.8 | 179.6 | -74.8 | 0 | 0 | 0 | 108.9 | C1503 L1555 Q1561 L1562 D1612 L1613 G1614 | C1503-H1610 PolarHBondContact SG-NE2 3.07Å; C1503-H1610 VanDerWaalsContact SG-NE2 3.43Å; L1555-H1610 HydrophobicContact CD2-CB 4.36Å; Q1561-H1610 WeakPolarHBondContact O-CA 3.28Å; Q1561-H1610 PolarHBondContact OE1-CE1 2.82Å; Q1561-H1610 PolarHBondContact OE1-NE2 2.88Å; Q1561-H1610 VanDerWaalsContact OE1-NE2 3.1Å; L1562-H1610 HydrophobicContact CD2-CB 3.88Å; H1610-D1612 VanDerWaalsContact C-N 3.29Å; H1610-D1612 IonicContact CE1-OD2 3.49Å; H1610-D1612 PolarHBondContact ND1-N 2.89Å; H1610-D1612 VanDerWaalsContact ND1-N 3.12Å; H1610-D1612 PolarHBondContact O-N 2.99Å; H1610-D1612 VanDerWaalsContact O-N 3.15Å; H1610-L1613 HydrophobicContact CB-CB 4.05Å; H1610-L1613 HydrophobicContact CB-CD1 4.33Å; H1610-L1613 HydrophobicContact CB-CG 4.44Å; H1610-L1613 PolarHBondContact ND1-N 3.19Å; H1610-L1613 PolarHBondContact O-N 2.99Å; H1610-L1613 VanDerWaalsContact O-N 3.16Å; H1610-G1614 PolarHBondContact N-O 2.96Å; H1610-G1614 WeakPolarHBondContact O-CA 3.42Å; H1610-G1614 PolarHBondContact O-N 2.9Å |
| 1611 | N | 83.5 | Confident | 86.8 | Confident | 88 Ų | 88 | 34.1 Ų | 34.1 | 47% | 0.471 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -41.9 | -173 | -69.1 | -27 | 0 | 0 | 0 | 113.9 | Q1313 Q1561 | Q1313-N1611 PolarHBondContact NE2-O 2.8Å; Q1313-N1611 PolarHBondContact OE1-O 2.8Å; Q1561-N1611 VanDerWaalsContact O-CG 3.27Å; Q1561-N1611 PolarHBondContact O-N 3.12Å; Q1561-N1611 VanDerWaalsContact O-N 3.11Å; Q1561-N1611 PolarHBondContact O-ND2 2.78Å |
| 1612 | D | 81.9 | Confident | 85.9 | Confident | 85.4 Ų | 85.4 | 34.5 Ų | 34.5 | 46% | 0.457 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -14 | -177.9 | -59.2 | -42.1 | 0 | 0 | 0 | 115.2 | Q1313 T1502 H1610 | Q1313-D1612 PolarHBondContact OE1-O 3.43Å; Q1313-D1612 VanDerWaalsContact OE1-O 3.1Å; T1502-D1612 HydrophobicContact CG2-CB 4.16Å; H1610-D1612 VanDerWaalsContact C-N 3.29Å; H1610-D1612 IonicContact CE1-OD2 3.49Å; H1610-D1612 PolarHBondContact ND1-N 2.89Å; H1610-D1612 VanDerWaalsContact ND1-N 3.12Å; H1610-D1612 PolarHBondContact O-N 2.99Å; H1610-D1612 VanDerWaalsContact O-N 3.15Å |
| 1613 | L | 85.7 | Confident | 85.2 | Confident | 5.2 Ų | 5.2 | 33.5 Ų | 33.5 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | -22.7 | -176.2 | -60.3 | 165.3 | 0 | 0 | 0 | 112.7 | G1307 S1308 Q1313 L1500 T1502 F1507 A1530 P1532 L1555 H1610 | G1307-L1613 CarbonylContact C-O 3.42Å; S1308-L1613 WeakPolarHBondContact CA-O 3.36Å; S1308-L1613 WeakPolarHBondContact CB-O 3.28Å; S1308-L1613 PolarHBondContact N-O 3.22Å; S1308-L1613 VanDerWaalsContact N-O 3.16Å; Q1313-L1613 PolarHBondContact NE2-O 2.95Å; Q1313-L1613 VanDerWaalsContact OE1-CA 3.27Å; Q1313-L1613 PolarHBondContact OE1-O 3.41Å; L1500-L1613 HydrophobicContact CD1-CD2 4.02Å; L1500-L1613 HydrophobicContact CD2-CD2 3.44Å; L1500-L1613 VanDerWaalsContact CD2-CD2 3.44Å; L1500-L1613 HydrophobicContact CD2-CG 4.44Å; L1500-L1613 HydrophobicContact CG-CD2 4.23Å; T1502-L1613 HydrophobicContact CG2-CD1 3.96Å; T1502-L1613 HydrophobicContact CG2-CD2 4.14Å; T1502-L1613 HydrophobicContact CG2-CG 4.3Å; F1507-L1613 HydrophobicContact CD2-CD1 3.8Å; F1507-L1613 HydrophobicContact CD2-CD2 4.05Å; F1507-L1613 HydrophobicContact CD2-CG 4.47Å; F1507-L1613 HydrophobicContact CE2-CD1 3.38Å; F1507-L1613 HydrophobicContact CE2-CD2 3.96Å; F1507-L1613 HydrophobicContact CE2-CG 4.27Å; F1507-L1613 HydrophobicContact CG-CD1 4.2Å; F1507-L1613 HydrophobicContact CG-CD2 4.26Å; F1507-L1613 HydrophobicContact CZ-CD1 3.97Å; F1507-L1613 HydrophobicContact CZ-CD2 4.41Å; A1530-L1613 HydrophobicContact CB-CD2 4.26Å; P1532-L1613 HydrophobicContact CG-CB 4.02Å; P1532-L1613 HydrophobicContact CG-CD1 3.93Å; L1555-L1613 HydrophobicContact CD2-CD1 4.21Å; H1610-L1613 HydrophobicContact CB-CB 4.05Å; H1610-L1613 HydrophobicContact CB-CD1 4.33Å; H1610-L1613 HydrophobicContact CB-CG 4.44Å; H1610-L1613 PolarHBondContact ND1-N 3.19Å; H1610-L1613 PolarHBondContact O-N 2.99Å; H1610-L1613 VanDerWaalsContact O-N 3.16Å |
| 1614 | G | 89.7 | Confident | 84.5 | Confident | 5.6 Ų | 5.6 | 33.7 Ų | 33.7 | 6% | 0.058 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 82.2 | -149.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G1312 S1609 H1610 | G1312-G1614 VanDerWaalsContact C-CA 3.47Å; S1609-G1614 CarbonylContact C-O 3.47Å; S1609-G1614 VanDerWaalsContact CA-O 3.31Å; S1609-G1614 WeakPolarHBondContact CA-O 3.21Å; S1609-G1614 PolarHBondContact OG-O 2.9Å; H1610-G1614 PolarHBondContact N-O 2.96Å; H1610-G1614 WeakPolarHBondContact O-CA 3.42Å; H1610-G1614 PolarHBondContact O-N 2.9Å |
| 1615 | L | 91.8 | Very high | 83.8 | Confident | 52 Ų | 52 | 40.4 Ų | 40.4 | 27% | 0.272 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 140.2 | -173 | -70.7 | 168.3 | 0 | 0 | 0 | 112.3 | S1308 V1310 G1311 C1607 I1608 | S1308-L1615 VanDerWaalsContact CB-O 3.31Å; S1308-L1615 WeakPolarHBondContact CB-O 3.26Å; S1308-L1615 PolarHBondContact OG-O 2.99Å; V1310-L1615 HydrophobicContact CB-CB 4.22Å; V1310-L1615 HydrophobicContact CG1-CB 4.16Å; V1310-L1615 HydrophobicContact CG2-CB 3.86Å; V1310-L1615 WeakPolarHBondContact CG2-O 3.18Å; G1311-L1615 WeakPolarHBondContact O-CB 3.42Å; G1311-L1615 PolarHBondContact O-N 2.92Å; C1607-L1615 HydrophobicContact CB-CD2 4.35Å; C1607-L1615 WeakPolarHBondContact SG-CD2 3.3Å; I1608-L1615 CarbonylContact O-C 3.58Å; I1608-L1615 WeakPolarHBondContact O-CA 3.2Å |
| 1616 | A | 91.8 | Very high | 83.3 | Confident | 14 Ų | 14 | 38.8 Ų | 38.8 | 12% | 0.116 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -81.7 | 145.9 | 169 | 0 | 0 | 0 | 0 | 0 | 111.2 | P1532 V1534 L1555 I1608 L1618 | P1532-A1616 HydrophobicContact CB-CB 3.8Å; P1532-A1616 CarbonylContact O-C 3.56Å; P1532-A1616 VanDerWaalsContact O-CA 3.25Å; P1532-A1616 WeakPolarHBondContact O-CA 3.3Å; P1532-A1616 WeakPolarHBondContact O-CB 3.39Å; V1534-A1616 HydrophobicContact CG2-CB 3.86Å; L1555-A1616 HydrophobicContact CD1-CB 4.19Å; I1608-A1616 HydrophobicContact CB-CB 4.07Å; I1608-A1616 HydrophobicContact CG2-CB 4.3Å; I1608-A1616 PolarHBondContact O-N 3.02Å; A1616-L1618 PolarHBondContact O-N 3.49Å |
| 1617 | L | 90.5 | Very high | 82.9 | Confident | 20.6 Ų | 20.6 | 38.8 Ų | 38.8 | 11% | 0.108 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 119.6 | 167 | -176.3 | 70.6 | 0 | 0 | 0 | 109.3 | F1309 V1310 Q1395 T1446 F1470 T1531 P1532 I1533 V1534 Q1619 | F1309-L1617 HydrophobicContact CZ-CD1 4.38Å; F1309-L1617 HydrophobicContact CZ-CD2 4.14Å; V1310-L1617 HydrophobicContact CG1-CB 4.22Å; V1310-L1617 HydrophobicContact CG1-CD1 4.08Å; V1310-L1617 HydrophobicContact CG2-CB 4.14Å; V1310-L1617 HydrophobicContact CG2-CD1 4.07Å; Q1395-L1617 HydrophobicContact CG-CD2 4.03Å; T1446-L1617 HydrophobicContact CG2-CD1 4.14Å; T1446-L1617 WeakPolarHBondContact O-CD2 3.3Å; F1470-L1617 HydrophobicContact CE2-CB 4.29Å; F1470-L1617 HydrophobicContact CE2-CD2 3.65Å; F1470-L1617 HydrophobicContact CE2-CG 4.46Å; F1470-L1617 HydrophobicContact CZ-CB 4.38Å; F1470-L1617 HydrophobicContact CZ-CD1 4.32Å; F1470-L1617 HydrophobicContact CZ-CD2 3.75Å; F1470-L1617 HydrophobicContact CZ-CG 4.32Å; T1531-L1617 HydrophobicContact CG2-CB 4.19Å; P1532-L1617 PolarHBondContact O-N 3.04Å; I1533-L1617 WeakPolarHBondContact CA-O 3.26Å; V1534-L1617 PolarHBondContact N-O 3.11Å; L1617-Q1619 HydrophobicContact CD2-CG 3.82Å; L1617-Q1619 HydrophobicContact CG-CG 3.98Å; L1617-Q1619 PolarHBondContact O-N 3.04Å |
| 1618 | L | 88.2 | Confident | 82.7 | Confident | 10.2 Ų | 10.2 | 39.6 Ų | 39.6 | 5% | 0.053 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 101.6 | 170.5 | -159.5 | 68.3 | 0 | 0 | 0 | 109.4 | T1446 V1534 F1537 R1605 P1606 I1608 A1616 V1620 | T1446-L1618 WeakPolarHBondContact CB-O 3.32Å; T1446-L1618 VanDerWaalsContact CG2-O 3.31Å; T1446-L1618 WeakPolarHBondContact CG2-O 3.24Å; T1446-L1618 PolarHBondContact OG1-O 2.9Å; V1534-L1618 HydrophobicContact CB-CD1 4.02Å; V1534-L1618 HydrophobicContact CG1-CD1 3.58Å; F1537-L1618 HydrophobicContact CB-CD1 4.46Å; F1537-L1618 HydrophobicContact CD1-CD1 4.02Å; F1537-L1618 HydrophobicContact CD1-CD2 4.27Å; F1537-L1618 HydrophobicContact CE1-CD1 4.48Å; F1537-L1618 HydrophobicContact CE1-CD2 4.02Å; R1605-L1618 HydrophobicContact CG-CD2 3.86Å; P1606-L1618 HydrophobicContact CB-CD2 4.12Å; P1606-L1618 HydrophobicContact CG-CD2 4.09Å; P1606-L1618 VanDerWaalsContact O-CD1 3.23Å; P1606-L1618 WeakPolarHBondContact O-CD1 3.38Å; I1608-L1618 HydrophobicContact CD1-CD1 4.15Å; A1616-L1618 PolarHBondContact O-N 3.49Å; L1618-V1620 HydrophobicContact CB-CG1 4.48Å; L1618-V1620 HydrophobicContact CD1-CG1 3.81Å; L1618-V1620 HydrophobicContact CD1-CG2 3.62Å; L1618-V1620 VanDerWaalsContact CD1-CG2 3.47Å; L1618-V1620 HydrophobicContact CD2-CG1 4.37Å; L1618-V1620 HydrophobicContact CD2-CG2 4.09Å; L1618-V1620 HydrophobicContact CG-CG1 3.73Å; L1618-V1620 HydrophobicContact CG-CG2 3.95Å; L1618-V1620 VanDerWaalsContact CG-CG2 3.42Å; L1618-V1620 PolarHBondContact O-N 2.7Å |
| 1619 | Q | 86.2 | Confident | 82.5 | Confident | 48.4 Ų | 48.4 | 39.4 Ų | 39.4 | 23% | 0.226 | 20% | 0.203 | C | C | . | . | trans | -97.9 | 76.2 | 178 | -157.6 | -173.7 | -35.3 | 0 | 0 | 110 | T1446 Q1447 I1533 V1534 L1617 | T1446-Q1619 WeakPolarHBondContact O-CG 3.45Å; Q1447-Q1619 HydrophobicContact CB-CG 4.24Å; Q1447-Q1619 HydrophobicContact CG-CG 3.47Å; Q1447-Q1619 VanDerWaalsContact CG-CG 3.49Å; Q1447-Q1619 VanDerWaalsContact CG-NE2 3.34Å; I1533-Q1619 HydrophobicContact CG2-CB 3.74Å; I1533-Q1619 VanDerWaalsContact CG2-OE1 3.27Å; V1534-Q1619 CarbonylContact O-C 3.57Å; V1534-Q1619 WeakPolarHBondContact O-CB 3.43Å; V1534-Q1619 PolarHBondContact O-N 3.21Å; L1617-Q1619 HydrophobicContact CD2-CG 3.82Å; L1617-Q1619 HydrophobicContact CG-CG 3.98Å; L1617-Q1619 PolarHBondContact O-N 3.04Å | ||
| 1620 | V | 74.9 | Confident | 82.4 | Confident | 17 Ų | 17 | 41.3 Ų | 41.3 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | trans | -90 | -89.6 | -174.9 | -133.9 | 0 | 0 | 0 | 0 | 111.4 | T1446 Q1447 S1535 F1537 L1618 N1623 E1626 Q1627 | T1446-V1620 HydrophobicContact CG2-CG2 4.43Å; T1446-V1620 PolarHBondContact OG1-N 2.92Å; T1446-V1620 PolarHBondContact OG1-O 2.69Å; T1446-V1620 VanDerWaalsContact OG1-O 3.04Å; Q1447-V1620 PolarHBondContact NE2-O 2.93Å; Q1447-V1620 VanDerWaalsContact NE2-O 3.16Å; S1535-V1620 WeakPolarHBondContact O-CA 3.46Å; F1537-V1620 HydrophobicContact CD1-CG1 4.22Å; F1537-V1620 HydrophobicContact CD1-CG2 3.79Å; F1537-V1620 HydrophobicContact CE1-CG1 4.4Å; F1537-V1620 HydrophobicContact CE1-CG2 3.89Å; L1618-V1620 HydrophobicContact CB-CG1 4.48Å; L1618-V1620 HydrophobicContact CD1-CG1 3.81Å; L1618-V1620 HydrophobicContact CD1-CG2 3.62Å; L1618-V1620 VanDerWaalsContact CD1-CG2 3.47Å; L1618-V1620 HydrophobicContact CD2-CG1 4.37Å; L1618-V1620 HydrophobicContact CD2-CG2 4.09Å; L1618-V1620 HydrophobicContact CG-CG1 3.73Å; L1618-V1620 HydrophobicContact CG-CG2 3.95Å; L1618-V1620 VanDerWaalsContact CG-CG2 3.42Å; L1618-V1620 PolarHBondContact O-N 2.7Å; V1620-N1623 VanDerWaalsContact CG1-O 3.3Å; V1620-N1623 WeakPolarHBondContact CG1-O 3.42Å; V1620-E1626 HydrophobicContact CB-CB 4.05Å; V1620-E1626 HydrophobicContact CG1-CB 4.21Å; V1620-E1626 WeakPolarHBondContact CG1-O 3.19Å; V1620-E1626 WeakPolarHBondContact CG2-O 3.23Å; V1620-Q1627 HydrophobicContact CB-CG 4.3Å; V1620-Q1627 HydrophobicContact CG1-CG 4.24Å; V1620-Q1627 HydrophobicContact CG2-CB 4.46Å; V1620-Q1627 HydrophobicContact CG2-CG 3.62Å | ||
| 1621 | S | 71.4 | Confident | 82.4 | Confident | 32.4 Ų | 32.4 | 41.2 Ų | 41.2 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | trans | -131.3 | 179.2 | -177 | 146.6 | 0 | 0 | 0 | 0 | 110.7 | N1623 E1626 Q1627 | S1621-N1623 VanDerWaalsContact C-N 3.29Å; S1621-N1623 PolarHBondContact O-N 3.11Å; S1621-N1623 WeakPolarHBondContact OG-CB 3.32Å; S1621-N1623 PolarHBondContact OG-N 2.9Å; S1621-N1623 VanDerWaalsContact OG-N 3.1Å; S1621-E1626 WeakPolarHBondContact CB-OE2 3.36Å; S1621-E1626 PolarHBondContact N-OE2 2.98Å; S1621-E1626 PolarHBondContact OG-OE1 2.8Å; S1621-E1626 PolarHBondContact OG-OE2 3.02Å; S1621-Q1627 PolarHBondContact O-NE2 3.04Å; S1621-Q1627 VanDerWaalsContact O-NE2 3.11Å | ||
| 1622 | T | 67.6 | Low | 82.8 | Confident | 32 Ų | 32 | 38.2 Ų | 38.2 | 20% | 0.196 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -86.3 | -15.5 | 170.8 | 51.7 | 0 | 0 | 0 | 0 | 112.3 | E1416 S1428 G1429 F1430 F1443 Y1451 E1624 | E1416-T1622 WeakPolarHBondContact OE2-CB 3.38Å; E1416-T1622 WeakPolarHBondContact OE2-CG2 3.32Å; E1416-T1622 PolarHBondContact OE2-OG1 3.43Å; S1428-T1622 CarbonylContact O-C 3.55Å; S1428-T1622 WeakPolarHBondContact O-CB 3.41Å; S1428-T1622 WeakPolarHBondContact O-CG2 3.43Å; S1428-T1622 PolarHBondContact O-OG1 3.16Å; G1429-T1622 CarbonylContact C-O 3.58Å; F1430-T1622 VanDerWaalsContact CA-O 3.3Å; F1430-T1622 WeakPolarHBondContact CA-O 3.05Å; F1430-T1622 HydrophobicContact CD1-CG2 4.18Å; F1430-T1622 PolarHBondContact N-O 2.82Å; F1443-T1622 WeakPolarHBondContact CE2-O 3.06Å; Y1451-T1622 HydrophobicContact CD1-CG2 3.85Å; Y1451-T1622 HydrophobicContact CE1-CG2 4.02Å; Y1451-T1622 VanDerWaalsContact CE1-CG2 3.43Å; T1622-E1624 PolarHBondContact O-N 3.05Å |
| 1623 | N | 72.2 | Confident | 83.3 | Confident | 51 Ų | 51 | 34.2 Ų | 34.2 | 27% | 0.273 | 17% | 0.17 | S | C | . | . | S | Bend | trans | -75.1 | 114.2 | 173.8 | -175.5 | -5.6 | 0 | 0 | 0 | 110.6 | S1428 V1620 S1621 F1625 E1626 | S1428-N1623 PolarHBondContact O-N 3.06Å; V1620-N1623 VanDerWaalsContact CG1-O 3.3Å; V1620-N1623 WeakPolarHBondContact CG1-O 3.42Å; S1621-N1623 VanDerWaalsContact C-N 3.29Å; S1621-N1623 PolarHBondContact O-N 3.11Å; S1621-N1623 WeakPolarHBondContact OG-CB 3.32Å; S1621-N1623 PolarHBondContact OG-N 2.9Å; S1621-N1623 VanDerWaalsContact OG-N 3.1Å; N1623-F1625 VanDerWaalsContact C-N 3.28Å; N1623-F1625 PolarHBondContact O-N 3.02Å; N1623-F1625 VanDerWaalsContact O-N 3.1Å; N1623-F1625 WeakPolarHBondContact OD1-CB 3.28Å; N1623-F1625 WeakPolarHBondContact OD1-CD2 3.36Å; N1623-F1625 PolarHBondContact OD1-N 3.02Å; N1623-F1625 VanDerWaalsContact OD1-N 3.11Å; N1623-E1626 HydrophobicContact CB-CB 4.34Å; N1623-E1626 HydrophobicContact CB-CG 4.14Å; N1623-E1626 PolarHBondContact ND2-OE1 3.29Å; N1623-E1626 WeakPolarHBondContact O-CB 3.22Å; N1623-E1626 PolarHBondContact O-N 3.06Å; N1623-E1626 VanDerWaalsContact O-N 3.12Å |
| 1624 | E | 71.2 | Confident | 83.5 | Confident | 55.8 Ų | 55.8 | 35.3 Ų | 35.3 | 26% | 0.261 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -59.4 | -32.5 | -179.1 | -107.5 | -177.4 | 171.9 | 0 | 0 | 113.3 | Y1441 F1443 T1622 E1626 Q1627 Y1628 | Y1441-E1624 WeakPolarHBondContact CE2-OE1 3.08Å; Y1441-E1624 VanDerWaalsContact CE2-OE2 3.27Å; Y1441-E1624 WeakPolarHBondContact CE2-OE2 3.04Å; Y1441-E1624 VanDerWaalsContact CZ-OE1 3.25Å; Y1441-E1624 VanDerWaalsContact OH-CD 3.24Å; Y1441-E1624 PolarHBondContact OH-OE1 3.36Å; Y1441-E1624 PolarHBondContact OH-OE2 2.73Å; F1443-E1624 HydrophobicContact CD2-CG 3.97Å; F1443-E1624 WeakPolarHBondContact CD2-OE1 3.36Å; F1443-E1624 HydrophobicContact CE2-CB 4.26Å; F1443-E1624 HydrophobicContact CE2-CG 3.88Å; T1622-E1624 PolarHBondContact O-N 3.05Å; E1624-E1626 PolarHBondContact O-N 3.07Å; E1624-Q1627 VanDerWaalsContact O-CB 3.32Å; E1624-Q1627 WeakPolarHBondContact O-CB 3.27Å; E1624-Q1627 PolarHBondContact O-N 3.17Å; E1624-Q1627 VanDerWaalsContact O-N 3.09Å; E1624-Y1628 HydrophobicContact CG-CE2 4.2Å; E1624-Y1628 WeakPolarHBondContact O-CD2 3.34Å |
| 1625 | F | 72.6 | Confident | 83.6 | Confident | 143 Ų | 143 | 35.2 Ų | 35.2 | 63% | 0.627 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -65.2 | -25.8 | 179.6 | -68 | -73.5 | 0 | 0 | 0 | 112.6 | N1623 Q1627 Y1628 F1630 | N1623-F1625 VanDerWaalsContact C-N 3.28Å; N1623-F1625 PolarHBondContact O-N 3.02Å; N1623-F1625 VanDerWaalsContact O-N 3.1Å; N1623-F1625 WeakPolarHBondContact OD1-CB 3.28Å; N1623-F1625 WeakPolarHBondContact OD1-CD2 3.36Å; N1623-F1625 PolarHBondContact OD1-N 3.02Å; N1623-F1625 VanDerWaalsContact OD1-N 3.11Å; F1625-Q1627 VanDerWaalsContact C-N 3.3Å; F1625-Q1627 PolarHBondContact O-N 3.26Å; F1625-Q1627 VanDerWaalsContact O-N 3.16Å; F1625-Y1628 PolarHBondContact O-N 3.3Å; F1625-Y1628 VanDerWaalsContact O-N 3.12Å; F1625-Y1628 VanDerWaalsContact O-O 3.08Å; F1625-F1630 HydrophobicContact CD1-CE2 4.38Å; F1625-F1630 HydrophobicContact CD1-CZ 4.33Å |
| 1626 | E | 76.8 | Confident | 83.4 | Confident | 65.6 Ų | 65.6 | 34.3 Ų | 34.3 | 31% | 0.307 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -79.6 | -7.7 | 176.9 | -63.4 | 175.1 | 178.3 | 0 | 0 | 112.3 | F1537 F1540 V1620 S1621 N1623 E1624 Y1628 | F1537-E1626 VanDerWaalsContact CE1-O 3.24Å; F1537-E1626 WeakPolarHBondContact CE1-O 3.39Å; F1537-E1626 WeakPolarHBondContact CZ-O 3.23Å; F1540-E1626 HydrophobicContact CE1-CB 4.17Å; F1540-E1626 HydrophobicContact CE1-CG 4.38Å; F1540-E1626 WeakPolarHBondContact CE1-O 3.33Å; F1540-E1626 HydrophobicContact CE2-CG 4.27Å; F1540-E1626 HydrophobicContact CZ-CB 4.1Å; F1540-E1626 HydrophobicContact CZ-CG 4Å; V1620-E1626 HydrophobicContact CB-CB 4.05Å; V1620-E1626 HydrophobicContact CG1-CB 4.21Å; V1620-E1626 WeakPolarHBondContact CG1-O 3.19Å; V1620-E1626 WeakPolarHBondContact CG2-O 3.23Å; S1621-E1626 WeakPolarHBondContact CB-OE2 3.36Å; S1621-E1626 PolarHBondContact N-OE2 2.98Å; S1621-E1626 PolarHBondContact OG-OE1 2.8Å; S1621-E1626 PolarHBondContact OG-OE2 3.02Å; N1623-E1626 HydrophobicContact CB-CB 4.34Å; N1623-E1626 HydrophobicContact CB-CG 4.14Å; N1623-E1626 PolarHBondContact ND2-OE1 3.29Å; N1623-E1626 WeakPolarHBondContact O-CB 3.22Å; N1623-E1626 PolarHBondContact O-N 3.06Å; N1623-E1626 VanDerWaalsContact O-N 3.12Å; E1624-E1626 PolarHBondContact O-N 3.07Å; E1626-Y1628 VanDerWaalsContact C-N 3.32Å |
| 1627 | Q | 79.5 | Confident | 83.2 | Confident | 6.4 Ų | 6.4 | 33.9 Ų | 33.9 | 3% | 0.03 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -83.5 | -12.4 | 174.5 | -63.2 | -176 | 26.8 | 0 | 0 | 113.3 | F1443 N1444 P1606 V1620 S1621 E1624 F1625 | F1443-Q1627 VanDerWaalsContact CE2-NE2 3.32Å; N1444-Q1627 PolarHBondContact ND2-OE1 3.23Å; P1606-Q1627 WeakPolarHBondContact CD-O 2.99Å; V1620-Q1627 HydrophobicContact CB-CG 4.3Å; V1620-Q1627 HydrophobicContact CG1-CG 4.24Å; V1620-Q1627 HydrophobicContact CG2-CB 4.46Å; V1620-Q1627 HydrophobicContact CG2-CG 3.62Å; S1621-Q1627 PolarHBondContact O-NE2 3.04Å; S1621-Q1627 VanDerWaalsContact O-NE2 3.11Å; E1624-Q1627 VanDerWaalsContact O-CB 3.32Å; E1624-Q1627 WeakPolarHBondContact O-CB 3.27Å; E1624-Q1627 PolarHBondContact O-N 3.17Å; E1624-Q1627 VanDerWaalsContact O-N 3.09Å; F1625-Q1627 VanDerWaalsContact C-N 3.3Å; F1625-Q1627 PolarHBondContact O-N 3.26Å; F1625-Q1627 VanDerWaalsContact O-N 3.16Å |
| 1628 | Y | 86.3 | Confident | 82.9 | Confident | 69.8 Ų | 69.8 | 38.6 Ų | 38.6 | 27% | 0.274 | 19% | 0.19 | S | C | . | . | trans | -131.1 | 146.9 | -174.4 | -58.8 | -84.3 | 0 | 0 | 0 | 111.3 | A1603 L1604 R1605 E1624 F1625 E1626 | A1603-Y1628 HydrophobicContact CB-CD1 4.1Å; A1603-Y1628 HydrophobicContact CB-CG 4.24Å; L1604-Y1628 CarbonylContact O-C 3.52Å; L1604-Y1628 WeakPolarHBondContact O-CA 3.26Å; R1605-Y1628 HydrophobicContact CB-CD1 4.14Å; R1605-Y1628 HydrophobicContact CB-CE1 4.18Å; R1605-Y1628 HydrophobicContact CG-CE1 4.49Å; E1624-Y1628 HydrophobicContact CG-CE2 4.2Å; E1624-Y1628 WeakPolarHBondContact O-CD2 3.34Å; F1625-Y1628 PolarHBondContact O-N 3.3Å; F1625-Y1628 VanDerWaalsContact O-N 3.12Å; F1625-Y1628 VanDerWaalsContact O-O 3.08Å; E1626-Y1628 VanDerWaalsContact C-N 3.32Å | ||
| 1629 | A | 88.3 | Confident | 82.8 | Confident | 0.4 Ų | 0.4 | 43.2 Ų | 43.2 | 0% | 0.003 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 148.9 | 161 | 0 | 0 | 0 | 0 | 0 | 109.5 | F1537 F1540 I1542 A1603 L1604 | F1537-A1629 HydrophobicContact CE1-CB 3.84Å; F1537-A1629 HydrophobicContact CE2-CB 4Å; F1537-A1629 HydrophobicContact CZ-CB 4.27Å; F1540-A1629 CarbonylContact O-C 3.57Å; F1540-A1629 VanDerWaalsContact O-CA 3.26Å; F1540-A1629 WeakPolarHBondContact O-CA 3.42Å; I1542-A1629 HydrophobicContact CD1-CB 3.44Å; I1542-A1629 HydrophobicContact CG1-CB 3.92Å; I1542-A1629 HydrophobicContact CG2-CB 4.19Å; A1603-A1629 CarbonylContact C-O 3.55Å; A1603-A1629 WeakPolarHBondContact CA-O 3.43Å; L1604-A1629 WeakPolarHBondContact CA-O 3.44Å; L1604-A1629 WeakPolarHBondContact CB-O 3.47Å; L1604-A1629 PolarHBondContact N-O 2.95Å; L1604-A1629 PolarHBondContact O-N 3.02Å |
| 1630 | F | 89.3 | Confident | 82.9 | Confident | 62.8 Ų | 62.8 | 40.9 Ų | 40.9 | 28% | 0.275 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 125.8 | 176.5 | -63.9 | -86.4 | 0 | 0 | 0 | 109.7 | F1540 N1541 I1542 Q1602 A1603 F1625 L1632 | F1540-F1630 PolarHBondContact O-N 3.1Å; N1541-F1630 WeakPolarHBondContact CA-O 3.32Å; I1542-F1630 PolarHBondContact N-O 2.83Å; Q1602-F1630 WeakPolarHBondContact O-CA 3.25Å; A1603-F1630 HydrophobicContact CB-CD1 4.24Å; A1603-F1630 HydrophobicContact CB-CE1 3.83Å; A1603-F1630 HydrophobicContact CB-CZ 4.46Å; F1625-F1630 HydrophobicContact CD1-CE2 4.38Å; F1625-F1630 HydrophobicContact CD1-CZ 4.33Å; F1630-L1632 PolarHBondContact O-N 3.46Å |
| 1631 | F | 92 | Very high | 83.4 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 131.6 | 177 | -165.5 | -97.8 | 0 | 0 | 0 | 110.7 | I1542 V1593 L1598 T1600 G1601 Q1602 L1604 S1657 | I1542-F1631 HydrophobicContact CB-CD2 4.44Å; I1542-F1631 HydrophobicContact CD1-CD2 4.18Å; I1542-F1631 HydrophobicContact CG1-CB 4.46Å; I1542-F1631 HydrophobicContact CG1-CD2 3.9Å; I1542-F1631 HydrophobicContact CG2-CD2 4.17Å; I1542-F1631 HydrophobicContact CG2-CE2 4.35Å; I1542-F1631 CarbonylContact O-C 3.51Å; I1542-F1631 WeakPolarHBondContact O-CA 3.39Å; I1542-F1631 WeakPolarHBondContact O-CD2 3.28Å; V1593-F1631 HydrophobicContact CG1-CE1 4.13Å; V1593-F1631 HydrophobicContact CG1-CE2 3.71Å; V1593-F1631 HydrophobicContact CG1-CZ 3.33Å; V1593-F1631 HydrophobicContact CG2-CE2 4.27Å; L1598-F1631 HydrophobicContact CB-CD1 3.87Å; L1598-F1631 HydrophobicContact CB-CD2 4.11Å; L1598-F1631 HydrophobicContact CB-CE1 4.11Å; L1598-F1631 HydrophobicContact CB-CE2 4.34Å; L1598-F1631 HydrophobicContact CB-CG 3.91Å; L1598-F1631 HydrophobicContact CB-CZ 4.36Å; L1598-F1631 HydrophobicContact CD1-CD2 3.78Å; L1598-F1631 HydrophobicContact CD1-CE2 3.98Å; L1598-F1631 HydrophobicContact CD1-CG 4.35Å; L1598-F1631 HydrophobicContact CG-CD2 4.48Å; T1600-F1631 CarbonylContact C-O 3.56Å; T1600-F1631 WeakPolarHBondContact CA-O 3.42Å; G1601-F1631 PolarHBondContact N-O 3.12Å; Q1602-F1631 PolarHBondContact O-N 3.01Å; Q1602-F1631 VanDerWaalsContact O-N 3.14Å; L1604-F1631 HydrophobicContact CD1-CB 3.9Å; L1604-F1631 HydrophobicContact CD1-CD2 4.31Å; L1604-F1631 HydrophobicContact CD1-CG 4.43Å; L1604-F1631 HydrophobicContact CG-CB 4.35Å; F1631-S1657 WeakPolarHBondContact CZ-OG 3.19Å |
| 1632 | L | 91.3 | Very high | 84.1 | Confident | 25.6 Ų | 25.6 | 44.5 Ų | 44.5 | 13% | 0.134 | 22% | 0.216 | C | C | . | . | trans | -120.2 | 152.4 | -178.3 | -66.9 | -179.8 | 0 | 0 | 0 | 110.7 | N1541 I1542 Y1543 F1630 I1720 | N1541-L1632 HydrophobicContact CB-CD1 3.86Å; I1542-L1632 PolarHBondContact O-N 3.14Å; Y1543-L1632 HydrophobicContact CD1-CB 3.64Å; Y1543-L1632 VanDerWaalsContact CD1-CB 3.5Å; Y1543-L1632 HydrophobicContact CE1-CB 3.22Å; Y1543-L1632 HydrophobicContact CE1-CD1 3.84Å; Y1543-L1632 HydrophobicContact CE1-CG 4.17Å; Y1543-L1632 HydrophobicContact CE2-CD1 4.32Å; Y1543-L1632 HydrophobicContact CG-CB 4.44Å; Y1543-L1632 VanDerWaalsContact CZ-CD1 3.48Å; Y1543-L1632 VanDerWaalsContact OH-CD1 3.25Å; Y1543-L1632 WeakPolarHBondContact OH-CD1 3.24Å; F1630-L1632 PolarHBondContact O-N 3.46Å; L1632-I1720 HydrophobicContact CD2-CD1 4.27Å; L1632-I1720 HydrophobicContact CD2-CG2 4.39Å | ||
| 1633 | P | 92.1 | Very high | 85.2 | Confident | 0.6 Ų | 0.6 | 48.1 Ų | 48.1 | 0% | 0.004 | 23% | 0.229 | C | C | . | . | trans | -75.7 | 145.8 | -174 | 25.8 | -24.8 | 0 | 0 | 0 | 111.7 | T1600 S1657 I1711 I1720 A1722 Q1723 | T1600-P1633 HydrophobicContact CG2-CG 3.94Å; T1600-P1633 VanDerWaalsContact OG1-CB 3.3Å; T1600-P1633 WeakPolarHBondContact OG1-CB 3.45Å; T1600-P1633 WeakPolarHBondContact OG1-CD 3.25Å; T1600-P1633 WeakPolarHBondContact OG1-CG 3.47Å; P1633-S1657 WeakPolarHBondContact CA-O 3.28Å; P1633-I1711 HydrophobicContact CB-CB 4.3Å; P1633-I1711 HydrophobicContact CB-CG1 3.73Å; P1633-I1711 HydrophobicContact CG-CB 4.2Å; P1633-I1711 HydrophobicContact CG-CG1 4.1Å; P1633-I1720 HydrophobicContact CG-CB 4.4Å; P1633-I1720 HydrophobicContact CG-CG2 4Å; P1633-A1722 HydrophobicContact CB-CB 3.94Å; P1633-A1722 HydrophobicContact CG-CB 4.27Å; P1633-A1722 CarbonylContact O-C 3.59Å; P1633-A1722 VanDerWaalsContact O-CA 3.32Å; P1633-A1722 WeakPolarHBondContact O-CA 3.27Å; P1633-Q1723 PolarHBondContact O-N 3.09Å | ||
| 1634 | E | 90.6 | Very high | 86.1 | Confident | 28.6 Ų | 28.6 | 45.6 Ų | 45.6 | 13% | 0.134 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 143.5 | 178.1 | -170.9 | -179 | -161.8 | 0 | 0 | 111.2 | Y1543 A1544 G1656 S1657 Q1723 | Y1543-E1634 HydrophobicContact CD1-CB 4.39Å; A1544-E1634 WeakPolarHBondContact CA-OE2 3.4Å; A1544-E1634 WeakPolarHBondContact CB-OE2 3.3Å; A1544-E1634 PolarHBondContact N-OE2 3.17Å; A1544-E1634 VanDerWaalsContact O-OE2 3.07Å; E1634-G1656 CarbonylContact O-C 3.54Å; E1634-G1656 WeakPolarHBondContact O-CA 3.34Å; E1634-S1657 PolarHBondContact N-O 3.1Å; E1634-S1657 PolarHBondContact O-N 3.01Å; E1634-Q1723 CarbonylContact C-O 3.57Å; E1634-Q1723 VanDerWaalsContact CA-O 3.27Å; E1634-Q1723 WeakPolarHBondContact CA-O 3.23Å; E1634-Q1723 HydrophobicContact CG-CB 4.4Å; E1634-Q1723 VanDerWaalsContact CG-O 3.23Å; E1634-Q1723 WeakPolarHBondContact CG-O 3.14Å |
| 1635 | I | 90.1 | Very high | 87 | Confident | 3.8 Ų | 3.8 | 43 Ų | 43 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131.8 | 175.4 | -46.4 | 173.3 | 0 | 0 | 0 | 109.8 | C1637 T1640 V1654 Y1655 F1659 V1709 A1722 Q1723 H1724 C1730 | I1635-C1637 PolarHBondContact O-N 2.92Å; I1635-T1640 HydrophobicContact CD1-CG2 4.3Å; I1635-T1640 HydrophobicContact CG2-CG2 4.31Å; I1635-V1654 HydrophobicContact CD1-CG1 3.77Å; I1635-V1654 HydrophobicContact CG1-CG1 3.99Å; I1635-V1654 HydrophobicContact CG2-CG1 3.81Å; I1635-Y1655 WeakPolarHBondContact CG1-O 3.19Å; I1635-Y1655 WeakPolarHBondContact CG2-O 3.28Å; I1635-F1659 HydrophobicContact CG2-CE1 4.48Å; I1635-F1659 HydrophobicContact CG2-CZ 4.34Å; I1635-V1709 HydrophobicContact CD1-CB 3.65Å; I1635-V1709 HydrophobicContact CD1-CG2 3.47Å; I1635-V1709 VanDerWaalsContact CD1-CG2 3.45Å; I1635-V1709 HydrophobicContact CG1-CB 4.05Å; I1635-V1709 HydrophobicContact CG1-CG2 3.86Å; I1635-V1709 HydrophobicContact CG2-CB 3.91Å; I1635-V1709 HydrophobicContact CG2-CG1 4.47Å; I1635-V1709 HydrophobicContact CG2-CG2 3.78Å; I1635-A1722 HydrophobicContact CB-CB 4.3Å; I1635-A1722 HydrophobicContact CD1-CB 3.98Å; I1635-A1722 HydrophobicContact CG1-CB 3.67Å; I1635-A1722 HydrophobicContact CG2-CB 4.04Å; I1635-Q1723 PolarHBondContact N-O 3.19Å; I1635-H1724 HydrophobicContact CD1-CB 4.29Å; I1635-H1724 HydrophobicContact CG1-CB 3.67Å; I1635-H1724 HydrophobicContact CG2-CB 3.67Å; I1635-H1724 WeakPolarHBondContact O-CB 3.42Å; I1635-C1730 HydrophobicContact CD1-CB 4.14Å; I1635-C1730 WeakPolarHBondContact CD1-SG 3.18Å; I1635-C1730 VanDerWaalsContact CG2-SG 3.58Å; I1635-C1730 WeakPolarHBondContact CG2-SG 3.49Å |
| 1636 | N | 88.6 | Confident | 87.8 | Confident | 33.2 Ų | 33.2 | 36.4 Ų | 36.4 | 18% | 0.178 | 18% | 0.175 | C | C | . | . | trans | -87 | 97.9 | 171.8 | -174.6 | -41.3 | 0 | 0 | 0 | 109.1 | E1590 D1638 K1639 T1640 Y1655 | E1590-N1636 VanDerWaalsContact OE1-CB 3.31Å; E1590-N1636 WeakPolarHBondContact OE1-CB 3.39Å; E1590-N1636 PolarHBondContact OE2-ND2 2.97Å; N1636-D1638 VanDerWaalsContact C-N 3.34Å; N1636-D1638 PolarHBondContact O-N 3.38Å; N1636-D1638 WeakPolarHBondContact OD1-CB 3.4Å; N1636-D1638 PolarHBondContact OD1-N 3.24Å; N1636-D1638 VanDerWaalsContact OD1-N 3.08Å; N1636-K1639 HydrophobicContact CB-CB 4.48Å; N1636-K1639 HydrophobicContact CB-CD 4.49Å; N1636-K1639 WeakPolarHBondContact ND2-CE 3.35Å; N1636-K1639 PolarHBondContact ND2-NZ 3.23Å; N1636-K1639 PolarHBondContact O-N 3.28Å; N1636-K1639 PolarHBondContact OD1-N 2.91Å; N1636-K1639 VanDerWaalsContact OD1-N 3.1Å; N1636-T1640 VanDerWaalsContact O-CB 3.28Å; N1636-T1640 WeakPolarHBondContact O-CB 3.44Å; N1636-T1640 PolarHBondContact O-N 3.08Å; N1636-T1640 PolarHBondContact O-OG1 2.97Å; N1636-Y1655 PolarHBondContact N-O 2.81Å | ||
| 1637 | C | 87.5 | Confident | 88.3 | Confident | 4.4 Ų | 4.4 | 36.2 Ų | 36.2 | 3% | 0.03 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -68.2 | -30.9 | -178 | -71 | 0 | 0 | 0 | 0 | 113.4 | I1635 K1639 T1640 H1641 H1724 S1728 D1729 C1730 | I1635-C1637 PolarHBondContact O-N 2.92Å; C1637-K1639 VanDerWaalsContact C-N 3.3Å; C1637-K1639 PolarHBondContact O-N 3.04Å; C1637-K1639 VanDerWaalsContact O-N 3.12Å; C1637-T1640 CarbonylContact O-C 3.43Å; C1637-T1640 PolarHBondContact O-N 3.15Å; C1637-H1641 PolarHBondContact O-CD2 2.92Å; C1637-H1641 VanDerWaalsContact O-CD2 3.23Å; C1637-H1641 PolarHBondContact O-CE1 2.95Å; C1637-H1641 VanDerWaalsContact O-CE1 3.26Å; C1637-H1641 PolarHBondContact O-ND1 2.85Å; C1637-H1641 VanDerWaalsContact O-ND1 3.14Å; C1637-H1641 PolarHBondContact O-NE2 3.24Å; C1637-H1641 VanDerWaalsContact O-NE2 3.11Å; C1637-H1724 VanDerWaalsContact SG-CB 3.51Å; C1637-H1724 VanDerWaalsContact SG-CG 3.57Å; C1637-S1728 VanDerWaalsContact CB-O 3.24Å; C1637-S1728 WeakPolarHBondContact CB-O 3.1Å; C1637-S1728 VanDerWaalsContact CB-OG 3.3Å; C1637-S1728 WeakPolarHBondContact CB-OG 3.34Å; C1637-S1728 PolarHBondContact SG-O 3.47Å; C1637-D1729 HydrophobicContact CB-CB 4.15Å; C1637-C1730 WeakPolarHBondContact CA-SG 3.31Å; C1637-C1730 HydrophobicContact CB-CB 4.16Å; C1637-C1730 WeakPolarHBondContact CB-SG 3.29Å; C1637-C1730 VanDerWaalsContact SG-CA 3.51Å; C1637-C1730 WeakPolarHBondContact SG-CA 3.35Å; C1637-C1730 WeakPolarHBondContact SG-CB 3.36Å; C1637-C1730 PolarHBondContact SG-N 3.08Å; C1637-C1730 CovalentContact SG-SG 2.04Å; C1637-C1730 PolarHBondContact SG-SG 3.12Å |
| 1638 | D | 83.9 | Confident | 88.8 | Confident | 120.2 Ų | 120.2 | 35.9 Ų | 35.9 | 64% | 0.643 | 17% | 0.171 | S | C | * | . | G | 310 helix | trans | -60.1 | -28.8 | 176.7 | -66.2 | -18.2 | 0 | 0 | 0 | 113 | N1636 H1641 S1728 | N1636-D1638 VanDerWaalsContact C-N 3.34Å; N1636-D1638 PolarHBondContact O-N 3.38Å; N1636-D1638 WeakPolarHBondContact OD1-CB 3.4Å; N1636-D1638 PolarHBondContact OD1-N 3.24Å; N1636-D1638 VanDerWaalsContact OD1-N 3.08Å; D1638-H1641 PolarHBondContact O-CD2 3.38Å; D1638-H1641 PolarHBondContact O-ND1 2.97Å; D1638-H1641 PolarHBondContact O-NE2 2.83Å; D1638-S1728 PolarHBondContact OD1-OG 3.47Å |
| 1639 | K | 86 | Confident | 88.9 | Confident | 107.2 Ų | 107.2 | 32.9 Ų | 32.9 | 47% | 0.466 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -97.5 | -15.8 | 176.4 | -64.1 | 175.7 | -171.1 | 163.7 | 0 | 113.1 | E1590 N1636 C1637 H1641 Y1655 | E1590-K1639 IonicContact OE2-NZ 3.02Å; E1590-K1639 PolarHBondContact OE2-NZ 3.13Å; N1636-K1639 HydrophobicContact CB-CB 4.48Å; N1636-K1639 HydrophobicContact CB-CD 4.49Å; N1636-K1639 WeakPolarHBondContact ND2-CE 3.35Å; N1636-K1639 PolarHBondContact ND2-NZ 3.23Å; N1636-K1639 PolarHBondContact O-N 3.28Å; N1636-K1639 PolarHBondContact OD1-N 2.91Å; N1636-K1639 VanDerWaalsContact OD1-N 3.1Å; C1637-K1639 VanDerWaalsContact C-N 3.3Å; C1637-K1639 PolarHBondContact O-N 3.04Å; C1637-K1639 VanDerWaalsContact O-N 3.12Å; K1639-H1641 PolarHBondContact O-N 3.15Å; K1639-Y1655 HydrophobicContact CB-CD2 3.8Å; K1639-Y1655 HydrophobicContact CB-CE2 4.36Å; K1639-Y1655 HydrophobicContact CB-CG 4.01Å; K1639-Y1655 VanDerWaalsContact O-CD2 3.28Å; K1639-Y1655 WeakPolarHBondContact O-CD2 3.27Å |
| 1640 | T | 89.2 | Confident | 89 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -102.3 | 75.6 | -173.3 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | I1635 N1636 C1637 L1652 V1654 Y1655 I1707 C1730 | I1635-T1640 HydrophobicContact CD1-CG2 4.3Å; I1635-T1640 HydrophobicContact CG2-CG2 4.31Å; N1636-T1640 VanDerWaalsContact O-CB 3.28Å; N1636-T1640 WeakPolarHBondContact O-CB 3.44Å; N1636-T1640 PolarHBondContact O-N 3.08Å; N1636-T1640 PolarHBondContact O-OG1 2.97Å; C1637-T1640 CarbonylContact O-C 3.43Å; C1637-T1640 PolarHBondContact O-N 3.15Å; T1640-L1652 HydrophobicContact CG2-CD1 4.43Å; T1640-V1654 HydrophobicContact CG2-CB 4.1Å; T1640-V1654 HydrophobicContact CG2-CG1 3.98Å; T1640-V1654 HydrophobicContact CG2-CG2 3.93Å; T1640-Y1655 PolarHBondContact OG1-N 3.19Å; T1640-Y1655 VanDerWaalsContact OG1-N 3.07Å; T1640-Y1655 PolarHBondContact OG1-O 3.15Å; T1640-Y1655 VanDerWaalsContact OG1-O 3.12Å; T1640-I1707 HydrophobicContact CG2-CD1 3.83Å; T1640-C1730 HydrophobicContact CG2-CB 4.26Å | ||
| 1641 | H | 85.2 | Confident | 89.1 | Confident | 103.4 Ų | 103.4 | 31.7 Ų | 31.7 | 48% | 0.479 | 16% | 0.156 | S | C | . | . | trans | -132.1 | 146.1 | 172.7 | -61.1 | -56.5 | 0 | 0 | 0 | 110.1 | C1637 D1638 K1639 D1729 I1731 | C1637-H1641 PolarHBondContact O-CD2 2.92Å; C1637-H1641 VanDerWaalsContact O-CD2 3.23Å; C1637-H1641 PolarHBondContact O-CE1 2.95Å; C1637-H1641 VanDerWaalsContact O-CE1 3.26Å; C1637-H1641 PolarHBondContact O-ND1 2.85Å; C1637-H1641 VanDerWaalsContact O-ND1 3.14Å; C1637-H1641 PolarHBondContact O-NE2 3.24Å; C1637-H1641 VanDerWaalsContact O-NE2 3.11Å; D1638-H1641 PolarHBondContact O-CD2 3.38Å; D1638-H1641 PolarHBondContact O-ND1 2.97Å; D1638-H1641 PolarHBondContact O-NE2 2.83Å; K1639-H1641 PolarHBondContact O-N 3.15Å; H1641-D1729 PolarHBondContact CD2-O 3.43Å; H1641-D1729 PolarHBondContact NE2-O 3.47Å; H1641-I1731 WeakPolarHBondContact CA-O 3.47Å | ||
| 1642 | G | 86.6 | Confident | 89.2 | Confident | 20.6 Ų | 20.6 | 31.7 Ų | 31.7 | 21% | 0.212 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 150.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | I1731 Y1732 S1733 | G1642-I1731 PolarHBondContact N-O 2.91Å; G1642-Y1732 VanDerWaalsContact C-CD2 3.45Å; G1642-Y1732 CarbonylContact O-C 3.49Å; G1642-Y1732 VanDerWaalsContact O-CA 3.31Å; G1642-Y1732 WeakPolarHBondContact O-CA 3.39Å; G1642-Y1732 WeakPolarHBondContact O-CD2 3.34Å; G1642-S1733 PolarHBondContact O-N 2.93Å |
| 1643 | K | 89.5 | Confident | 89.3 | Confident | 107.2 Ų | 107.2 | 32.9 Ų | 32.9 | 47% | 0.466 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 137.4 | 170.5 | 103.8 | 179.7 | 177.9 | 170.4 | 0 | 109.3 | S1733 D1735 S1737 A1738 | K1643-S1733 CarbonylContact C-O 3.54Å; K1643-S1733 VanDerWaalsContact CA-O 3.25Å; K1643-S1733 WeakPolarHBondContact CA-O 3.42Å; K1643-D1735 HydrophobicContact CB-CB 4.38Å; K1643-D1735 HydrophobicContact CD-CB 4.05Å; K1643-D1735 VanDerWaalsContact CE-OD1 3.25Å; K1643-D1735 WeakPolarHBondContact CE-OD1 3.2Å; K1643-D1735 WeakPolarHBondContact CE-OD2 3.42Å; K1643-D1735 HydrophobicContact CG-CB 3.85Å; K1643-D1735 VanDerWaalsContact NZ-CG 3.32Å; K1643-D1735 IonicContact NZ-OD1 3.3Å; K1643-D1735 PolarHBondContact NZ-OD1 3.44Å; K1643-D1735 IonicContact NZ-OD2 3.24Å; K1643-D1735 PolarHBondContact NZ-OD2 3.34Å; K1643-S1737 WeakPolarHBondContact CE-OG 3.44Å; K1643-S1737 PolarHBondContact NZ-OG 3.23Å; K1643-S1737 VanDerWaalsContact NZ-OG 3.1Å; K1643-A1738 HydrophobicContact CB-CB 4.22Å; K1643-A1738 HydrophobicContact CD-CB 4.16Å; K1643-A1738 HydrophobicContact CG-CB 4.17Å |
| 1644 | G | 90.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | -171.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y1732 S1733 D1735 R1820 | G1644-Y1732 VanDerWaalsContact CA-OH 3.29Å; G1644-Y1732 WeakPolarHBondContact CA-OH 3.31Å; G1644-Y1732 PolarHBondContact N-OH 3.05Å; G1644-S1733 PolarHBondContact N-O 3.05Å; G1644-S1733 VanDerWaalsContact N-O 3.09Å; G1644-D1735 PolarHBondContact O-N 3.02Å; G1644-R1820 CarbonylContact C-O 3.47Å; G1644-R1820 WeakPolarHBondContact CA-O 3.39Å |
| 1645 | S | 91.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -59.3 | 139.6 | -176.3 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | Y1647 G1648 Y1734 T1739 R1820 Y1822 | S1645-Y1647 PolarHBondContact O-N 2.94Å; S1645-Y1647 VanDerWaalsContact O-N 3.09Å; S1645-Y1647 PolarHBondContact OG-N 3.19Å; S1645-G1648 PolarHBondContact O-N 3Å; S1645-Y1734 VanDerWaalsContact O-CD1 3.3Å; S1645-Y1734 WeakPolarHBondContact O-CD1 3.39Å; S1645-T1739 VanDerWaalsContact CA-OG1 3.25Å; S1645-T1739 WeakPolarHBondContact CA-OG1 3.13Å; S1645-T1739 WeakPolarHBondContact CB-OG1 3.3Å; S1645-T1739 WeakPolarHBondContact OG-CG2 3.27Å; S1645-T1739 PolarHBondContact OG-OG1 3.07Å; S1645-R1820 VanDerWaalsContact CB-O 3.23Å; S1645-R1820 WeakPolarHBondContact CB-O 3.46Å; S1645-R1820 PolarHBondContact N-O 3.02Å; S1645-Y1822 WeakPolarHBondContact CB-O 3.34Å; S1645-Y1822 PolarHBondContact OG-O 3.1Å | ||
| 1646 | I | 89 | Confident | 89.4 | Confident | 5.2 Ų | 5.2 | 35.3 Ų | 35.3 | 3% | 0.027 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -12.6 | 169.8 | 62.7 | 166 | 0 | 0 | 0 | 113.2 | P1694 L1736 T1739 | I1646-P1694 VanDerWaalsContact O-CD 3.28Å; I1646-P1694 WeakPolarHBondContact O-CD 3.36Å; I1646-P1694 WeakPolarHBondContact O-CG 3.28Å; I1646-L1736 HydrophobicContact CD1-CD1 3.86Å; I1646-L1736 HydrophobicContact CD1-CD2 3.62Å; I1646-L1736 HydrophobicContact CG1-CD1 4.38Å; I1646-L1736 HydrophobicContact CG1-CD2 4.31Å; I1646-L1736 HydrophobicContact CG2-CB 4.44Å; I1646-L1736 HydrophobicContact CG2-CD2 4.33Å; I1646-L1736 HydrophobicContact CG2-CG 4.28Å; I1646-T1739 HydrophobicContact CG1-CG2 4.37Å; I1646-T1739 PolarHBondContact N-OG1 2.87Å; I1646-T1739 VanDerWaalsContact N-OG1 3.09Å |
| 1647 | Y | 88.2 | Confident | 89.6 | Confident | 61.6 Ų | 61.6 | 33.8 Ų | 33.8 | 24% | 0.242 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 9.6 | 174.3 | -63.4 | -78.4 | 0 | 0 | 0 | 113.3 | S1645 I1693 P1697 N1699 T1739 Y1822 K1824 | S1645-Y1647 PolarHBondContact O-N 2.94Å; S1645-Y1647 VanDerWaalsContact O-N 3.09Å; S1645-Y1647 PolarHBondContact OG-N 3.19Å; Y1647-I1693 WeakPolarHBondContact O-CG1 3.33Å; Y1647-P1697 HydrophobicContact CD1-CB 3.83Å; Y1647-P1697 HydrophobicContact CE1-CB 3.8Å; Y1647-N1699 PolarHBondContact OH-OD1 3.15Å; Y1647-N1699 VanDerWaalsContact OH-OD1 3.08Å; Y1647-T1739 HydrophobicContact CD2-CG2 4.15Å; Y1647-T1739 HydrophobicContact CE2-CG2 4.26Å; Y1647-Y1822 WeakPolarHBondContact O-CD2 3.39Å; Y1647-K1824 HydrophobicContact CD2-CB 4.32Å; Y1647-K1824 HydrophobicContact CE2-CB 3.69Å; Y1647-K1824 VanDerWaalsContact CE2-CB 3.44Å; Y1647-K1824 HydrophobicContact CE2-CD 4.3Å; Y1647-K1824 HydrophobicContact CE2-CG 3.87Å |
| 1648 | G | 89.4 | Confident | 89.8 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | 66.1 | -162.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1645 G1650 G1821 Y1822 | S1645-G1648 PolarHBondContact O-N 3Å; G1648-G1650 VanDerWaalsContact C-N 3.28Å; G1648-G1650 PolarHBondContact O-N 3.06Å; G1648-G1821 CarbonylContact O-C 3.59Å; G1648-G1821 VanDerWaalsContact O-CA 3.3Å; G1648-G1821 WeakPolarHBondContact O-CA 3.34Å; G1648-Y1822 VanDerWaalsContact O-CD2 3.28Å; G1648-Y1822 WeakPolarHBondContact O-CD2 3.36Å; G1648-Y1822 PolarHBondContact O-N 2.92Å | ||
| 1649 | G | 88.8 | Confident | 90.2 | Very high | 6.2 Ų | 6.2 | 27.9 Ų | 27.9 | 6% | 0.064 | 13% | 0.131 | C | C | . | . | trans | 80.4 | -0.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1690 V1691 F1816 G1821 | G1649-L1690 WeakPolarHBondContact O-CD1 3.5Å; G1649-L1690 WeakPolarHBondContact O-CD2 3.49Å; G1649-V1691 WeakPolarHBondContact CA-O 3.4Å; G1649-V1691 PolarHBondContact N-O 2.92Å; G1649-F1816 VanDerWaalsContact O-CE2 3.31Å; G1649-F1816 WeakPolarHBondContact O-CE2 3.38Å; G1649-F1816 WeakPolarHBondContact O-CZ 3.4Å; G1649-G1821 VanDerWaalsContact C-CA 3.43Å | ||
| 1650 | G | 90 | Very high | 90.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | trans | -74.1 | 164.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G1648 L1690 V1691 I1819 G1821 | G1648-G1650 VanDerWaalsContact C-N 3.28Å; G1648-G1650 PolarHBondContact O-N 3.06Å; G1650-L1690 CarbonylContact O-C 3.49Å; G1650-L1690 WeakPolarHBondContact O-CA 3.32Å; G1650-V1691 WeakPolarHBondContact O-CG2 3.12Å; G1650-V1691 PolarHBondContact O-N 2.95Å; G1650-I1819 CarbonylContact C-O 3.55Å; G1650-I1819 VanDerWaalsContact CA-O 3.28Å; G1650-I1819 WeakPolarHBondContact CA-O 3.24Å; G1650-G1821 VanDerWaalsContact N-CA 3.34Å | ||
| 1651 | Q | 92 | Very high | 90.5 | Very high | 37 Ų | 37 | 25.8 Ų | 25.8 | 17% | 0.173 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 128.5 | 174.8 | -70 | 178.9 | 8.9 | 0 | 0 | 110.4 | I1680 K1688 C1689 L1690 E1818 I1819 | Q1651-I1680 HydrophobicContact CG-CD1 4.33Å; Q1651-K1688 VanDerWaalsContact CD-NZ 3.27Å; Q1651-C1689 CarbonylContact C-O 3.57Å; Q1651-C1689 WeakPolarHBondContact CA-O 3.38Å; Q1651-L1690 HydrophobicContact CG-CD2 4.19Å; Q1651-E1818 VanDerWaalsContact CG-O 3.29Å; Q1651-E1818 WeakPolarHBondContact CG-O 3.27Å; Q1651-E1818 VanDerWaalsContact NE2-CG 3.32Å; Q1651-E1818 PolarHBondContact NE2-O 2.84Å; Q1651-E1818 PolarHBondContact NE2-OE1 3.19Å; Q1651-I1819 PolarHBondContact N-O 3.24Å |
| 1652 | L | 92.9 | Very high | 90.6 | Very high | 1.6 Ų | 1.6 | 26 Ų | 26 | 1% | 0.008 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.7 | 168.5 | 169.6 | 62.9 | 0 | 0 | 0 | 108.8 | T1640 V1654 I1669 L1671 K1688 C1689 V1691 I1707 Y1732 | T1640-L1652 HydrophobicContact CG2-CD1 4.43Å; L1652-V1654 HydrophobicContact CD1-CG2 4.38Å; L1652-V1654 HydrophobicContact CD2-CG2 4.13Å; L1652-V1654 HydrophobicContact CG-CG2 4.04Å; L1652-I1669 HydrophobicContact CD2-CG2 4.42Å; L1652-L1671 HydrophobicContact CD2-CD2 4.18Å; L1652-K1688 CarbonylContact O-C 3.53Å; L1652-K1688 VanDerWaalsContact O-CA 3.3Å; L1652-K1688 WeakPolarHBondContact O-CA 3.31Å; L1652-C1689 PolarHBondContact N-O 2.89Å; L1652-C1689 PolarHBondContact O-N 3.05Å; L1652-V1691 HydrophobicContact CB-CG2 3.64Å; L1652-V1691 HydrophobicContact CD2-CG2 4.33Å; L1652-V1691 HydrophobicContact CG-CG2 4.47Å; L1652-I1707 HydrophobicContact CD1-CD1 3.92Å; L1652-I1707 HydrophobicContact CD2-CD1 3.98Å; L1652-I1707 HydrophobicContact CD2-CG1 4.16Å; L1652-I1707 HydrophobicContact CD2-CG2 4.38Å; L1652-Y1732 HydrophobicContact CB-CD2 4.41Å; L1652-Y1732 HydrophobicContact CB-CE2 4.47Å; L1652-Y1732 HydrophobicContact CD1-CD2 4.09Å |
| 1653 | I | 93.7 | Very high | 90.7 | Very high | 50.8 Ų | 50.8 | 30 Ų | 30 | 26% | 0.261 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 119.2 | 171.6 | -54.8 | 175.3 | 0 | 0 | 0 | 107.6 | Y1655 Y1686 I1687 K1688 | I1653-Y1655 HydrophobicContact CB-CE2 4.06Å; I1653-Y1655 HydrophobicContact CG2-CD1 4.42Å; I1653-Y1655 HydrophobicContact CG2-CD2 4.12Å; I1653-Y1655 HydrophobicContact CG2-CE1 4.04Å; I1653-Y1655 HydrophobicContact CG2-CE2 3.59Å; I1653-Y1655 HydrophobicContact CG2-CG 4.47Å; I1653-Y1655 VanDerWaalsContact CG2-CZ 3.45Å; I1653-Y1686 HydrophobicContact CG2-CD2 3.91Å; I1653-Y1686 HydrophobicContact CG2-CG 4.2Å; I1653-I1687 CarbonylContact C-O 3.52Å; I1653-I1687 WeakPolarHBondContact CA-O 3.39Å; I1653-K1688 HydrophobicContact CG1-CB 4.36Å; I1653-K1688 HydrophobicContact CG1-CD 4.44Å; I1653-K1688 HydrophobicContact CG1-CG 4.09Å |
| 1654 | V | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 118.2 | 175.6 | 176.9 | 0 | 0 | 0 | 0 | 108.3 | I1635 T1640 L1652 F1659 I1669 Y1686 I1687 I1707 V1709 | I1635-V1654 HydrophobicContact CD1-CG1 3.77Å; I1635-V1654 HydrophobicContact CG1-CG1 3.99Å; I1635-V1654 HydrophobicContact CG2-CG1 3.81Å; T1640-V1654 HydrophobicContact CG2-CB 4.1Å; T1640-V1654 HydrophobicContact CG2-CG1 3.98Å; T1640-V1654 HydrophobicContact CG2-CG2 3.93Å; L1652-V1654 HydrophobicContact CD1-CG2 4.38Å; L1652-V1654 HydrophobicContact CD2-CG2 4.13Å; L1652-V1654 HydrophobicContact CG-CG2 4.04Å; V1654-F1659 HydrophobicContact CG1-CZ 4.29Å; V1654-I1669 HydrophobicContact CB-CD1 4.21Å; V1654-I1669 HydrophobicContact CG2-CD1 3.73Å; V1654-I1669 HydrophobicContact CG2-CG1 4.39Å; V1654-I1669 HydrophobicContact CG2-CG2 4.42Å; V1654-Y1686 CarbonylContact O-C 3.5Å; V1654-Y1686 WeakPolarHBondContact O-CA 3.28Å; V1654-Y1686 VanDerWaalsContact O-CB 3.27Å; V1654-Y1686 WeakPolarHBondContact O-CB 3.26Å; V1654-I1687 HydrophobicContact CB-CB 4.45Å; V1654-I1687 PolarHBondContact N-O 3.01Å; V1654-I1687 PolarHBondContact O-N 3.01Å; V1654-I1707 HydrophobicContact CG2-CG2 4.04Å; V1654-V1709 HydrophobicContact CG1-CG2 3.72Å; V1654-V1709 HydrophobicContact CG2-CG2 4.39Å |
| 1655 | Y | 91.9 | Very high | 90.5 | Very high | 82 Ų | 82 | 33.3 Ų | 33.3 | 32% | 0.322 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 141 | 177.8 | -65.7 | -86.6 | 0 | 0 | 0 | 110.3 | I1635 N1636 K1639 T1640 I1653 Y1686 | I1635-Y1655 WeakPolarHBondContact CG1-O 3.19Å; I1635-Y1655 WeakPolarHBondContact CG2-O 3.28Å; N1636-Y1655 PolarHBondContact N-O 2.81Å; K1639-Y1655 HydrophobicContact CB-CD2 3.8Å; K1639-Y1655 HydrophobicContact CB-CE2 4.36Å; K1639-Y1655 HydrophobicContact CB-CG 4.01Å; K1639-Y1655 VanDerWaalsContact O-CD2 3.28Å; K1639-Y1655 WeakPolarHBondContact O-CD2 3.27Å; T1640-Y1655 PolarHBondContact OG1-N 3.19Å; T1640-Y1655 VanDerWaalsContact OG1-N 3.07Å; T1640-Y1655 PolarHBondContact OG1-O 3.15Å; T1640-Y1655 VanDerWaalsContact OG1-O 3.12Å; I1653-Y1655 HydrophobicContact CB-CE2 4.06Å; I1653-Y1655 HydrophobicContact CG2-CD1 4.42Å; I1653-Y1655 HydrophobicContact CG2-CD2 4.12Å; I1653-Y1655 HydrophobicContact CG2-CE1 4.04Å; I1653-Y1655 HydrophobicContact CG2-CE2 3.59Å; I1653-Y1655 HydrophobicContact CG2-CG 4.47Å; I1653-Y1655 VanDerWaalsContact CG2-CZ 3.45Å; Y1655-Y1686 HydrophobicContact CE1-CG 4.47Å |
| 1656 | G | 91.1 | Very high | 90.6 | Very high | 1.4 Ų | 1.4 | 34.8 Ų | 34.8 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.5 | -154.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1594 E1634 G1685 | K1594-G1656 WeakPolarHBondContact CE-O 3.27Å; E1634-G1656 CarbonylContact O-C 3.54Å; E1634-G1656 WeakPolarHBondContact O-CA 3.34Å; G1656-G1685 PolarHBondContact N-O 3.05Å; G1656-G1685 VanDerWaalsContact N-O 3.1Å; G1656-G1685 CarbonylContact O-C 3.52Å; G1656-G1685 VanDerWaalsContact O-CA 3.28Å; G1656-G1685 WeakPolarHBondContact O-CA 3.35Å; G1656-G1685 VanDerWaalsContact O-O 3.09Å |
| 1657 | S | 91.8 | Very high | 90.8 | Very high | 0.8 Ų | 0.8 | 34.7 Ų | 34.7 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 160.1 | 179.9 | 68.1 | 0 | 0 | 0 | 0 | 111.8 | F1631 P1633 E1634 | F1631-S1657 WeakPolarHBondContact CZ-OG 3.19Å; P1633-S1657 WeakPolarHBondContact CA-O 3.28Å; E1634-S1657 PolarHBondContact N-O 3.1Å; E1634-S1657 PolarHBondContact O-N 3.01Å |
| 1658 | G | 91 | Very high | 91 | Very high | 1.4 Ų | 1.4 | 34.3 Ų | 34.3 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | B | Isolated β-bridge | trans | 86.1 | 7.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L1598 T1600 | L1598-G1658 WeakPolarHBondContact O-CA 3.34Å; T1600-G1658 PolarHBondContact N-O 3.11Å; T1600-G1658 VanDerWaalsContact N-O 3.15Å; T1600-G1658 PolarHBondContact OG1-O 2.98Å |
| 1659 | F | 93.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -74.7 | 147.7 | 179.1 | -52.3 | -32.3 | 0 | 0 | 0 | 112.2 | L1599 I1635 V1654 P1661 N1667 V1682 T1683 I1687 V1709 I1711 | L1599-F1659 VanDerWaalsContact CD2-O 3.23Å; L1599-F1659 WeakPolarHBondContact CD2-O 3.18Å; I1635-F1659 HydrophobicContact CG2-CE1 4.48Å; I1635-F1659 HydrophobicContact CG2-CZ 4.34Å; V1654-F1659 HydrophobicContact CG1-CZ 4.29Å; F1659-P1661 VanDerWaalsContact O-CD 3.27Å; F1659-P1661 WeakPolarHBondContact O-CD 3.4Å; F1659-N1667 WeakPolarHBondContact CA-OD1 3.29Å; F1659-V1682 HydrophobicContact CB-CG1 4Å; F1659-T1683 WeakPolarHBondContact CB-O 3.38Å; F1659-I1687 HydrophobicContact CB-CD1 4.36Å; F1659-I1687 HydrophobicContact CB-CG1 4.3Å; F1659-I1687 HydrophobicContact CD1-CD1 3.7Å; F1659-I1687 HydrophobicContact CD1-CG1 4.33Å; F1659-I1687 HydrophobicContact CD2-CD1 4.01Å; F1659-I1687 HydrophobicContact CD2-CG1 3.74Å; F1659-I1687 HydrophobicContact CE1-CD1 3.9Å; F1659-I1687 HydrophobicContact CE2-CD1 4.19Å; F1659-I1687 HydrophobicContact CE2-CG1 4.1Å; F1659-I1687 HydrophobicContact CG-CD1 3.75Å; F1659-I1687 HydrophobicContact CG-CG1 3.86Å; F1659-I1687 HydrophobicContact CZ-CD1 4.13Å; F1659-I1687 HydrophobicContact CZ-CG1 4.47Å; F1659-V1709 HydrophobicContact CE1-CG1 4.09Å; F1659-I1711 HydrophobicContact CD1-CD1 3.64Å; F1659-I1711 HydrophobicContact CD1-CG1 4.16Å; F1659-I1711 HydrophobicContact CE1-CD1 4.23Å | ||
| 1660 | D | 91.1 | Very high | 91.4 | Very high | 5.4 Ų | 5.4 | 34.5 Ų | 34.5 | 3% | 0.029 | 17% | 0.172 | C | C | . | . | trans | -97.7 | 106 | 179.3 | -165.3 | -34.6 | 0 | 0 | 0 | 111.3 | L1599 I1662 Y1663 F1666 N1667 V1682 R1714 | L1599-D1660 HydrophobicContact CD2-CB 4.4Å; D1660-I1662 VanDerWaalsContact C-N 3.32Å; D1660-I1662 PolarHBondContact O-N 3.11Å; D1660-I1662 WeakPolarHBondContact OD1-CB 3.34Å; D1660-I1662 PolarHBondContact OD1-N 3.21Å; D1660-Y1663 PolarHBondContact OD1-N 3.18Å; D1660-F1666 HydrophobicContact CB-CB 4.44Å; D1660-N1667 PolarHBondContact N-OD1 3.01Å; D1660-N1667 PolarHBondContact O-ND2 3.23Å; D1660-V1682 VanDerWaalsContact O-CG1 3.27Å; D1660-V1682 WeakPolarHBondContact O-CG1 3.28Å; D1660-R1714 VanDerWaalsContact CG-NH2 3.33Å; D1660-R1714 IonicContact OD1-CZ 3.45Å; D1660-R1714 IonicContact OD1-NE 2.96Å; D1660-R1714 IonicContact OD1-NH2 3.4Å; D1660-R1714 PolarHBondContact OD1-NH2 3.09Å; D1660-R1714 WeakPolarHBondContact OD2-CG 3.49Å; D1660-R1714 IonicContact OD2-CZ 3.16Å; D1660-R1714 IonicContact OD2-NE 3.35Å; D1660-R1714 PolarHBondContact OD2-NE 2.98Å; D1660-R1714 IonicContact OD2-NH2 3.41Å; D1660-R1714 PolarHBondContact OD2-NH2 3.06Å; D1660-R1714 VanDerWaalsContact OD2-NH2 3.09Å | ||
| 1661 | P | 89.9 | Confident | 91.3 | Very high | 57.8 Ų | 57.8 | 34.8 Ų | 34.8 | 38% | 0.375 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -75.4 | -17.5 | -178.6 | 30.9 | -35.6 | 0 | 0 | 0 | 113.7 | F1659 V1682 | F1659-P1661 VanDerWaalsContact O-CD 3.27Å; F1659-P1661 WeakPolarHBondContact O-CD 3.4Å; P1661-V1682 HydrophobicContact CB-CG1 4.49Å |
| 1662 | I | 87.6 | Confident | 90.8 | Very high | 106.2 Ų | 106.2 | 37.2 Ų | 37.2 | 55% | 0.545 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -87.3 | -46 | -176.8 | -59.7 | -177.5 | 0 | 0 | 0 | 110 | D1660 | D1660-I1662 VanDerWaalsContact C-N 3.32Å; D1660-I1662 PolarHBondContact O-N 3.11Å; D1660-I1662 WeakPolarHBondContact OD1-CB 3.34Å; D1660-I1662 PolarHBondContact OD1-N 3.21Å |
| 1663 | Y | 88.4 | Confident | 89.6 | Confident | 104.4 Ų | 104.4 | 41.9 Ų | 41.9 | 41% | 0.409 | 21% | 0.213 | S | C | . | . | trans | -104.5 | 84.1 | 179.8 | -60.8 | -72.1 | 0 | 0 | 0 | 110 | D1660 N1665 F1666 N1667 R1714 | D1660-Y1663 PolarHBondContact OD1-N 3.18Å; Y1663-N1665 PolarHBondContact O-N 2.96Å; Y1663-N1665 VanDerWaalsContact O-N 3.11Å; Y1663-F1666 VanDerWaalsContact CB-CG 3.47Å; Y1663-F1666 HydrophobicContact CD1-CZ 4.36Å; Y1663-F1666 AromaticContact CD2-CD2 3.99Å; Y1663-F1666 HydrophobicContact CD2-CD2 4.27Å; Y1663-F1666 AromaticContact CD2-CE2 3.84Å; Y1663-F1666 HydrophobicContact CD2-CE2 4.12Å; Y1663-F1666 HydrophobicContact CD2-CZ 4.38Å; Y1663-F1666 HydrophobicContact CE2-CE2 4.45Å; Y1663-F1666 HydrophobicContact CG-CD1 4.37Å; Y1663-F1666 HydrophobicContact CG-CD2 4.18Å; Y1663-F1666 HydrophobicContact CG-CE1 4.31Å; Y1663-F1666 AromaticContact CG-CE2 3.93Å; Y1663-F1666 HydrophobicContact CG-CE2 4.09Å; Y1663-F1666 HydrophobicContact CG-CG 4.35Å; Y1663-F1666 HydrophobicContact CG-CZ 4.34Å; Y1663-F1666 WeakPolarHBondContact O-CB 3.25Å; Y1663-F1666 PolarHBondContact O-N 3.36Å; Y1663-N1667 PolarHBondContact O-ND2 2.98Å; Y1663-N1667 VanDerWaalsContact O-ND2 3.16Å; Y1663-R1714 HydrophobicContact CD2-CG 4.36Å; Y1663-R1714 HydrophobicContact CE2-CG 4.38Å | ||
| 1664 | T | 86.7 | Confident | 88.6 | Confident | 74.2 Ų | 74.2 | 46.7 Ų | 46.7 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -56.1 | -34.1 | -177.3 | 55.2 | 0 | 0 | 0 | 0 | 112.7 | F1666 N1667 I1679 V1682 | T1664-F1666 PolarHBondContact O-N 2.96Å; T1664-N1667 PolarHBondContact O-N 3Å; T1664-N1667 VanDerWaalsContact O-N 3.15Å; T1664-N1667 PolarHBondContact O-ND2 3.08Å; T1664-N1667 VanDerWaalsContact O-ND2 3.12Å; T1664-I1679 WeakPolarHBondContact O-CD1 3.39Å; T1664-V1682 HydrophobicContact CG2-CB 4.45Å; T1664-V1682 HydrophobicContact CG2-CG2 4.08Å |
| 1665 | N | 89 | Confident | 88.2 | Confident | 102.6 Ų | 102.6 | 49.7 Ų | 49.7 | 55% | 0.549 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -71.9 | -2.4 | 175.7 | 67.9 | -42.1 | 0 | 0 | 0 | 115 | Y1663 N1667 W1719 | Y1663-N1665 PolarHBondContact O-N 2.96Å; Y1663-N1665 VanDerWaalsContact O-N 3.11Å; N1665-N1667 VanDerWaalsContact C-N 3.32Å; N1665-W1719 VanDerWaalsContact O-CH2 3.23Å; N1665-W1719 WeakPolarHBondContact O-CH2 3.33Å |
| 1666 | F | 92.5 | Very high | 88.2 | Confident | 31.6 Ų | 31.6 | 51.2 Ų | 51.2 | 14% | 0.139 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -93.4 | 0.3 | 171.3 | -71.3 | 13.2 | 0 | 0 | 0 | 111.9 | D1660 Y1663 T1664 I1711 K1712 R1714 W1719 | D1660-F1666 HydrophobicContact CB-CB 4.44Å; Y1663-F1666 VanDerWaalsContact CB-CG 3.47Å; Y1663-F1666 HydrophobicContact CD1-CZ 4.36Å; Y1663-F1666 AromaticContact CD2-CD2 3.99Å; Y1663-F1666 HydrophobicContact CD2-CD2 4.27Å; Y1663-F1666 AromaticContact CD2-CE2 3.84Å; Y1663-F1666 HydrophobicContact CD2-CE2 4.12Å; Y1663-F1666 HydrophobicContact CD2-CZ 4.38Å; Y1663-F1666 HydrophobicContact CE2-CE2 4.45Å; Y1663-F1666 HydrophobicContact CG-CD1 4.37Å; Y1663-F1666 HydrophobicContact CG-CD2 4.18Å; Y1663-F1666 HydrophobicContact CG-CE1 4.31Å; Y1663-F1666 AromaticContact CG-CE2 3.93Å; Y1663-F1666 HydrophobicContact CG-CE2 4.09Å; Y1663-F1666 HydrophobicContact CG-CG 4.35Å; Y1663-F1666 HydrophobicContact CG-CZ 4.34Å; Y1663-F1666 WeakPolarHBondContact O-CB 3.25Å; Y1663-F1666 PolarHBondContact O-N 3.36Å; T1664-F1666 PolarHBondContact O-N 2.96Å; F1666-I1711 CarbonylContact O-C 3.41Å; F1666-I1711 VanDerWaalsContact O-CA 3.28Å; F1666-I1711 WeakPolarHBondContact O-CA 3.27Å; F1666-K1712 HydrophobicContact CB-CB 4.27Å; F1666-K1712 VanDerWaalsContact CD1-CE 3.44Å; F1666-K1712 HydrophobicContact CD2-CB 4.41Å; F1666-K1712 VanDerWaalsContact CD2-O 3.26Å; F1666-K1712 WeakPolarHBondContact CD2-O 3.29Å; F1666-K1712 VanDerWaalsContact CE1-CE 3.4Å; F1666-K1712 HydrophobicContact CG-CB 4.34Å; F1666-K1712 PolarHBondContact O-N 3Å; F1666-R1714 HydrophobicContact CD2-CG 4.3Å; F1666-R1714 HydrophobicContact CE2-CB 4.43Å; F1666-R1714 HydrophobicContact CE2-CG 4.13Å; F1666-W1719 VanDerWaalsContact O-CZ3 3.32Å; F1666-W1719 WeakPolarHBondContact O-CZ3 3.38Å |
| 1667 | N | 93.8 | Very high | 88.2 | Confident | 4.6 Ų | 4.6 | 51.3 Ų | 51.3 | 3% | 0.025 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.5 | 171.6 | -44.7 | -90.3 | 0 | 0 | 0 | 107.3 | F1659 D1660 Y1663 T1664 N1665 I1679 I1687 I1711 | F1659-N1667 WeakPolarHBondContact CA-OD1 3.29Å; D1660-N1667 PolarHBondContact N-OD1 3.01Å; D1660-N1667 PolarHBondContact O-ND2 3.23Å; Y1663-N1667 PolarHBondContact O-ND2 2.98Å; Y1663-N1667 VanDerWaalsContact O-ND2 3.16Å; T1664-N1667 PolarHBondContact O-N 3Å; T1664-N1667 VanDerWaalsContact O-N 3.15Å; T1664-N1667 PolarHBondContact O-ND2 3.08Å; T1664-N1667 VanDerWaalsContact O-ND2 3.12Å; N1665-N1667 VanDerWaalsContact C-N 3.32Å; N1667-I1679 HydrophobicContact CB-CD1 3.91Å; N1667-I1679 WeakPolarHBondContact O-CD1 3.4Å; N1667-I1687 HydrophobicContact CB-CD1 3.87Å; N1667-I1687 HydrophobicContact CB-CG1 4.47Å; N1667-I1711 HydrophobicContact CB-CD1 3.99Å; N1667-I1711 WeakPolarHBondContact OD1-CD1 3.3Å |
| 1668 | K | 93.5 | Very high | 88.3 | Confident | 52.8 Ų | 52.8 | 55 Ų | 55 | 23% | 0.23 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 128 | 179.4 | 176.9 | 174.3 | 170.7 | 174.2 | 0 | 109.2 | T1670 E1676 V1709 Q1710 W1719 | K1668-T1670 HydrophobicContact CD-CG2 4.42Å; K1668-T1670 VanDerWaalsContact CE-CG2 3.46Å; K1668-T1670 HydrophobicContact CG-CG2 4.24Å; K1668-E1676 WeakPolarHBondContact CE-OE1 3.44Å; K1668-E1676 WeakPolarHBondContact CE-OE2 3.18Å; K1668-E1676 HydrophobicContact CG-CG 4.16Å; K1668-E1676 IonicContact NZ-OE1 3.29Å; K1668-E1676 PolarHBondContact NZ-OE1 3.03Å; K1668-V1709 CarbonylContact O-C 3.56Å; K1668-V1709 VanDerWaalsContact O-CA 3.26Å; K1668-V1709 WeakPolarHBondContact O-CA 3.31Å; K1668-Q1710 HydrophobicContact CB-CB 4.44Å; K1668-Q1710 PolarHBondContact N-O 3.02Å; K1668-Q1710 PolarHBondContact O-N 3.1Å; K1668-W1719 HydrophobicContact CB-CE3 4.16Å; K1668-W1719 HydrophobicContact CB-CH2 3.76Å; K1668-W1719 HydrophobicContact CB-CZ2 4.35Å; K1668-W1719 HydrophobicContact CB-CZ3 3.52Å; K1668-W1719 VanDerWaalsContact CB-CZ3 3.45Å; K1668-W1719 HydrophobicContact CD-CH2 4.39Å; K1668-W1719 HydrophobicContact CD-CZ2 4.37Å; K1668-W1719 HydrophobicContact CD-CZ3 4.44Å; K1668-W1719 HydrophobicContact CG-CH2 4.47Å |
| 1669 | I | 93.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 124.4 | 175.3 | -58 | 176 | 0 | 0 | 0 | 108.2 | L1652 V1654 E1676 C1677 I1687 C1689 I1707 Q1708 V1709 | L1652-I1669 HydrophobicContact CD2-CG2 4.42Å; V1654-I1669 HydrophobicContact CB-CD1 4.21Å; V1654-I1669 HydrophobicContact CG2-CD1 3.73Å; V1654-I1669 HydrophobicContact CG2-CG1 4.39Å; V1654-I1669 HydrophobicContact CG2-CG2 4.42Å; I1669-E1676 CarbonylContact O-C 3.5Å; I1669-E1676 WeakPolarHBondContact O-CA 3.29Å; I1669-E1676 WeakPolarHBondContact O-CG 3.42Å; I1669-C1677 HydrophobicContact CB-CB 4.01Å; I1669-C1677 HydrophobicContact CG2-CB 3.92Å; I1669-C1677 PolarHBondContact O-N 2.98Å; I1669-I1687 HydrophobicContact CD1-CB 3.79Å; I1669-I1687 HydrophobicContact CD1-CD1 4.28Å; I1669-I1687 HydrophobicContact CD1-CG2 3.35Å; I1669-I1687 HydrophobicContact CG1-CD1 4.4Å; I1669-I1687 HydrophobicContact CG1-CG2 4.32Å; I1669-C1689 HydrophobicContact CD1-CB 4.3Å; I1669-I1707 HydrophobicContact CG2-CG2 4.01Å; I1669-Q1708 CarbonylContact C-O 3.44Å; I1669-Q1708 VanDerWaalsContact CA-O 3.29Å; I1669-Q1708 WeakPolarHBondContact CA-O 3.28Å; I1669-V1709 HydrophobicContact CG1-CG1 4.42Å; I1669-V1709 HydrophobicContact CG1-CG2 4.23Å |
| 1670 | T | 91.8 | Very high | 88.3 | Confident | 8.8 Ų | 8.8 | 61.6 Ų | 61.6 | 5% | 0.054 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 139.4 | 175.4 | 47.4 | 0 | 0 | 0 | 0 | 110.9 | K1668 K1675 E1676 Q1708 | K1668-T1670 HydrophobicContact CD-CG2 4.42Å; K1668-T1670 VanDerWaalsContact CE-CG2 3.46Å; K1668-T1670 HydrophobicContact CG-CG2 4.24Å; T1670-K1675 CarbonylContact C-O 3.51Å; T1670-K1675 VanDerWaalsContact CA-O 3.26Å; T1670-K1675 WeakPolarHBondContact CA-O 3.28Å; T1670-E1676 HydrophobicContact CG2-CB 4.43Å; T1670-E1676 HydrophobicContact CG2-CG 3.89Å; T1670-Q1708 PolarHBondContact N-O 3.12Å; T1670-Q1708 PolarHBondContact O-N 3.04Å; T1670-Q1708 WeakPolarHBondContact OG1-CB 3.5Å; T1670-Q1708 PolarHBondContact OG1-OE1 2.86Å |
| 1671 | L | 88.3 | Confident | 88.4 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 3% | 0.031 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 124.9 | 172.1 | -63.3 | 169.6 | 0 | 0 | 0 | 109 | L1652 N1673 E1674 K1675 C1677 V1691 P1692 V1705 T1706 I1707 Y1734 | L1652-L1671 HydrophobicContact CD2-CD2 4.18Å; L1671-N1673 VanDerWaalsContact C-N 3.3Å; L1671-N1673 PolarHBondContact O-N 2.87Å; L1671-N1673 VanDerWaalsContact O-N 3.16Å; L1671-E1674 PolarHBondContact O-N 2.99Å; L1671-K1675 PolarHBondContact N-O 3.04Å; L1671-K1675 PolarHBondContact O-N 3.22Å; L1671-C1677 HydrophobicContact CD1-CB 4.24Å; L1671-V1691 HydrophobicContact CD1-CG1 3.86Å; L1671-V1691 HydrophobicContact CD1-CG2 4.43Å; L1671-P1692 HydrophobicContact CD1-CG 4.2Å; L1671-V1705 HydrophobicContact CB-CB 4.47Å; L1671-V1705 HydrophobicContact CB-CG2 4.07Å; L1671-V1705 HydrophobicContact CD1-CG2 4.31Å; L1671-V1705 HydrophobicContact CD2-CG2 4.01Å; L1671-V1705 HydrophobicContact CG-CG2 4.37Å; L1671-T1706 CarbonylContact C-O 3.46Å; L1671-T1706 VanDerWaalsContact CA-O 3.32Å; L1671-T1706 WeakPolarHBondContact CA-O 3.32Å; L1671-I1707 HydrophobicContact CD2-CB 4.39Å; L1671-I1707 HydrophobicContact CD2-CG1 3.73Å; L1671-I1707 HydrophobicContact CD2-CG2 4.49Å; L1671-Y1734 HydrophobicContact CD1-CE2 4.35Å; L1671-Y1734 VanDerWaalsContact CD1-OH 3.26Å; L1671-Y1734 WeakPolarHBondContact CD1-OH 3.49Å |
| 1672 | N | 81.4 | Confident | 88.6 | Confident | 87 Ų | 87 | 63.3 Ų | 63.3 | 47% | 0.465 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 34.6 | -177.5 | -140.5 | 28.9 | 0 | 0 | 0 | 114 | E1674 V1705 T1706 | N1672-E1674 PolarHBondContact O-N 3.12Å; N1672-E1674 VanDerWaalsContact O-N 3.09Å; N1672-V1705 HydrophobicContact CB-CB 4.24Å; N1672-V1705 HydrophobicContact CB-CG1 4.24Å; N1672-V1705 WeakPolarHBondContact ND2-CG1 3.35Å; N1672-V1705 VanDerWaalsContact OD1-CA 3.26Å; N1672-V1705 WeakPolarHBondContact OD1-CA 3.43Å; N1672-V1705 WeakPolarHBondContact OD1-CB 3.39Å; N1672-T1706 PolarHBondContact N-O 2.93Å; N1672-T1706 PolarHBondContact OD1-N 2.99Å; N1672-T1706 PolarHBondContact OD1-OG1 2.76Å |
| 1673 | N | 67.6 | Low | 88.8 | Confident | 102 Ų | 102 | 60 Ų | 60 | 55% | 0.545 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 8.2 | 179.2 | -72.4 | 7.4 | 0 | 0 | 0 | 117.4 | L1671 Q1708 | L1671-N1673 VanDerWaalsContact C-N 3.3Å; L1671-N1673 PolarHBondContact O-N 2.87Å; L1671-N1673 VanDerWaalsContact O-N 3.16Å; N1673-Q1708 VanDerWaalsContact CG-OE1 3.23Å; N1673-Q1708 PolarHBondContact ND2-NE2 2.95Å; N1673-Q1708 PolarHBondContact ND2-OE1 3.2Å; N1673-Q1708 VanDerWaalsContact ND2-OE1 3.14Å; N1673-Q1708 VanDerWaalsContact OD1-CG 3.32Å; N1673-Q1708 WeakPolarHBondContact OD1-CG 3.41Å; N1673-Q1708 PolarHBondContact OD1-NE2 3.15Å; N1673-Q1708 PolarHBondContact OD1-OE1 2.93Å |
| 1674 | E | 73.6 | Confident | 88.6 | Confident | 150.8 Ų | 150.8 | 56.6 Ų | 56.6 | 71% | 0.705 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | -45.5 | -174.2 | -69.3 | -178.1 | 171.3 | 0 | 0 | 112.9 | L1671 N1672 | L1671-E1674 PolarHBondContact O-N 2.99Å; N1672-E1674 PolarHBondContact O-N 3.12Å; N1672-E1674 VanDerWaalsContact O-N 3.09Å |
| 1675 | K | 84.9 | Confident | 88.8 | Confident | 63 Ų | 63 | 53.3 Ų | 53.3 | 27% | 0.274 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 124.7 | -174.6 | -65.5 | -141.3 | -179.2 | 179.6 | 0 | 112.9 | T1670 L1671 P1692 I1693 P1694 D1695 | T1670-K1675 CarbonylContact C-O 3.51Å; T1670-K1675 VanDerWaalsContact CA-O 3.26Å; T1670-K1675 WeakPolarHBondContact CA-O 3.28Å; L1671-K1675 PolarHBondContact N-O 3.04Å; L1671-K1675 PolarHBondContact O-N 3.22Å; K1675-P1692 HydrophobicContact CB-CB 4.26Å; K1675-P1692 HydrophobicContact CB-CG 3.7Å; K1675-P1692 HydrophobicContact CD-CB 4.09Å; K1675-P1692 HydrophobicContact CD-CG 4.32Å; K1675-P1692 HydrophobicContact CG-CG 4.49Å; K1675-I1693 WeakPolarHBondContact CD-O 3.43Å; K1675-I1693 WeakPolarHBondContact CE-O 3.26Å; K1675-I1693 PolarHBondContact NZ-O 2.98Å; K1675-P1694 VanDerWaalsContact NZ-C 3.28Å; K1675-D1695 WeakPolarHBondContact CE-OD1 3.32Å; K1675-D1695 WeakPolarHBondContact CE-OD2 3.19Å; K1675-D1695 VanDerWaalsContact NZ-CG 3.26Å; K1675-D1695 VanDerWaalsContact NZ-N 3.2Å; K1675-D1695 IonicContact NZ-OD1 3.7Å; K1675-D1695 PolarHBondContact NZ-OD1 3.08Å; K1675-D1695 IonicContact NZ-OD2 3.38Å; K1675-D1695 PolarHBondContact NZ-OD2 3.24Å |
| 1676 | E | 90.6 | Very high | 89 | Confident | 113.8 Ų | 113.8 | 51.5 Ų | 51.5 | 53% | 0.532 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 130.8 | 175.5 | -103.7 | 178.9 | 168.6 | 0 | 0 | 111.2 | K1668 I1669 T1670 | K1668-E1676 WeakPolarHBondContact CE-OE1 3.44Å; K1668-E1676 WeakPolarHBondContact CE-OE2 3.18Å; K1668-E1676 HydrophobicContact CG-CG 4.16Å; K1668-E1676 IonicContact NZ-OE1 3.29Å; K1668-E1676 PolarHBondContact NZ-OE1 3.03Å; I1669-E1676 CarbonylContact O-C 3.5Å; I1669-E1676 WeakPolarHBondContact O-CA 3.29Å; I1669-E1676 WeakPolarHBondContact O-CG 3.42Å; T1670-E1676 HydrophobicContact CG2-CB 4.43Å; T1670-E1676 HydrophobicContact CG2-CG 3.89Å |
| 1677 | C | 92.4 | Very high | 89.1 | Confident | 3.4 Ų | 3.4 | 50 Ų | 50 | 2% | 0.023 | 26% | 0.257 | C | S | . | . | trans | -80.9 | 126.4 | 172.8 | -164.5 | 0 | 0 | 0 | 0 | 109 | I1669 L1671 I1679 C1689 L1690 | I1669-C1677 HydrophobicContact CB-CB 4.01Å; I1669-C1677 HydrophobicContact CG2-CB 3.92Å; I1669-C1677 PolarHBondContact O-N 2.98Å; L1671-C1677 HydrophobicContact CD1-CB 4.24Å; C1677-I1679 PolarHBondContact O-N 2.87Å; C1677-I1679 VanDerWaalsContact O-N 3.15Å; C1677-C1689 HydrophobicContact CB-CB 3.76Å; C1677-C1689 WeakPolarHBondContact CB-SG 3.38Å; C1677-C1689 VanDerWaalsContact SG-C 3.58Å; C1677-C1689 WeakPolarHBondContact SG-CB 3.32Å; C1677-C1689 CovalentContact SG-SG 2.03Å; C1677-C1689 PolarHBondContact SG-SG 2.96Å; C1677-L1690 PolarHBondContact SG-O 3.03Å | ||
| 1678 | S | 92.8 | Very high | 89.1 | Confident | 78.2 Ų | 78.2 | 51.8 Ų | 51.8 | 55% | 0.547 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 109.5 | -174.1 | -63.6 | 0 | 0 | 0 | 0 | 110.9 | I1680 C1689 L1690 | S1678-I1680 PolarHBondContact O-N 3.05Å; S1678-C1689 CarbonylContact O-C 3.52Å; S1678-C1689 VanDerWaalsContact O-CA 3.22Å; S1678-C1689 WeakPolarHBondContact O-CA 3.34Å; S1678-C1689 WeakPolarHBondContact O-CB 3.26Å; S1678-L1690 PolarHBondContact N-O 2.87Å; S1678-L1690 VanDerWaalsContact N-O 3.13Å; S1678-L1690 PolarHBondContact O-N 3.08Å |
| 1679 | I | 93.4 | Very high | 89.1 | Confident | 49.8 Ų | 49.8 | 49.3 Ų | 49.3 | 26% | 0.255 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 130.4 | -175.1 | -63.1 | 176.6 | 0 | 0 | 0 | 111.4 | T1664 N1667 C1677 V1682 I1687 C1689 | T1664-I1679 WeakPolarHBondContact O-CD1 3.39Å; N1667-I1679 HydrophobicContact CB-CD1 3.91Å; N1667-I1679 WeakPolarHBondContact O-CD1 3.4Å; C1677-I1679 PolarHBondContact O-N 2.87Å; C1677-I1679 VanDerWaalsContact O-N 3.15Å; I1679-V1682 HydrophobicContact CG2-CG2 3.55Å; I1679-V1682 VanDerWaalsContact CG2-CG2 3.42Å; I1679-I1687 HydrophobicContact CD1-CG2 4.12Å; I1679-I1687 HydrophobicContact CG1-CG2 4.01Å; I1679-I1687 HydrophobicContact CG2-CG2 4.02Å; I1679-C1689 HydrophobicContact CG1-CB 4.37Å |
| 1680 | I | 91.4 | Very high | 89.1 | Confident | 89.8 Ų | 89.8 | 52.4 Ų | 52.4 | 46% | 0.461 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -38.5 | 178.1 | -48.4 | 170 | 0 | 0 | 0 | 110.5 | Q1651 S1678 K1688 L1690 | Q1651-I1680 HydrophobicContact CG-CD1 4.33Å; S1678-I1680 PolarHBondContact O-N 3.05Å; I1680-K1688 HydrophobicContact CB-CG 4.45Å; I1680-K1688 HydrophobicContact CD1-CD 4.38Å; I1680-K1688 HydrophobicContact CD1-CG 4.31Å; I1680-K1688 PolarHBondContact N-O 3.02Å; I1680-L1690 HydrophobicContact CD1-CB 4.15Å; I1680-L1690 HydrophobicContact CD1-CD1 4.43Å; I1680-L1690 HydrophobicContact CD1-CD2 3.81Å; I1680-L1690 HydrophobicContact CD1-CG 3.6Å; I1680-L1690 HydrophobicContact CG1-CB 4.46Å; I1680-L1690 HydrophobicContact CG1-CG 4.04Å |
| 1681 | Q | 92.8 | Very high | 89.1 | Confident | 84 Ų | 84 | 52.1 Ų | 52.1 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 142.5 | -174.7 | -172.6 | -179.1 | 8.1 | 0 | 0 | 111 | Y1686 I1687 K1688 | Q1681-Y1686 VanDerWaalsContact CD-OH 3.32Å; Q1681-Y1686 HydrophobicContact CG-CE2 4.46Å; Q1681-Y1686 PolarHBondContact NE2-OH 3.13Å; Q1681-Y1686 VanDerWaalsContact NE2-OH 3.09Å; Q1681-Y1686 PolarHBondContact OE1-OH 3.26Å; Q1681-I1687 CarbonylContact O-C 3.57Å; Q1681-I1687 WeakPolarHBondContact O-CA 3.2Å; Q1681-K1688 HydrophobicContact CB-CB 4.2Å; Q1681-K1688 PolarHBondContact N-O 3.01Å; Q1681-K1688 VanDerWaalsContact N-O 3.1Å; Q1681-K1688 PolarHBondContact O-N 3.03Å |
| 1682 | V | 93.6 | Very high | 89.2 | Confident | 14.8 Ų | 14.8 | 53.1 Ų | 53.1 | 9% | 0.09 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 137.1 | 173.8 | -174.7 | 0 | 0 | 0 | 0 | 109.6 | F1659 D1660 P1661 T1664 I1679 I1687 | F1659-V1682 HydrophobicContact CB-CG1 4Å; D1660-V1682 VanDerWaalsContact O-CG1 3.27Å; D1660-V1682 WeakPolarHBondContact O-CG1 3.28Å; P1661-V1682 HydrophobicContact CB-CG1 4.49Å; T1664-V1682 HydrophobicContact CG2-CB 4.45Å; T1664-V1682 HydrophobicContact CG2-CG2 4.08Å; I1679-V1682 HydrophobicContact CG2-CG2 3.55Å; I1679-V1682 VanDerWaalsContact CG2-CG2 3.42Å; V1682-I1687 HydrophobicContact CG1-CG1 4.04Å; V1682-I1687 HydrophobicContact CG2-CG1 4.33Å; V1682-I1687 HydrophobicContact CG2-CG2 4.2Å |
| 1683 | T | 91.7 | Very high | 89.5 | Confident | 36.6 Ų | 36.6 | 53.2 Ų | 53.2 | 23% | 0.225 | 28% | 0.275 | C | S | . | . | trans | -127.1 | 173.9 | 166.7 | 67.8 | 0 | 0 | 0 | 0 | 108.8 | F1659 G1685 Y1686 | F1659-T1683 WeakPolarHBondContact CB-O 3.38Å; T1683-G1685 PolarHBondContact O-N 3.07Å; T1683-G1685 VanDerWaalsContact O-N 3.13Å; T1683-G1685 PolarHBondContact OG1-N 3.14Å; T1683-Y1686 HydrophobicContact CG2-CD1 4.1Å; T1683-Y1686 HydrophobicContact CG2-CE1 3.49Å; T1683-Y1686 VanDerWaalsContact CG2-CE1 3.46Å; T1683-Y1686 HydrophobicContact CG2-CE2 4.21Å; T1683-Y1686 VanDerWaalsContact CG2-CZ 3.46Å; T1683-Y1686 PolarHBondContact N-O 3.03Å; T1683-Y1686 WeakPolarHBondContact OG1-CD1 3.32Å; T1683-Y1686 VanDerWaalsContact OG1-CE1 3.31Å; T1683-Y1686 WeakPolarHBondContact OG1-CE1 3.35Å; T1683-Y1686 PolarHBondContact OG1-N 3.03Å; T1683-Y1686 PolarHBondContact OG1-O 3.07Å; T1683-Y1686 VanDerWaalsContact OG1-O 3.14Å | ||
| 1684 | S | 85.9 | Confident | 90.1 | Very high | 33 Ų | 33 | 49.2 Ų | 49.2 | 23% | 0.231 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -61.3 | -17.4 | 172.1 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | K1594 | K1594-S1684 WeakPolarHBondContact O-CB 3.4Å; K1594-S1684 PolarHBondContact O-OG 3.09Å |
| 1685 | G | 89.3 | Confident | 90.2 | Very high | 6.4 Ų | 6.4 | 47 Ų | 47 | 7% | 0.066 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -119.3 | -11.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | K1594 G1656 T1683 | K1594-G1685 VanDerWaalsContact CE-CA 3.45Å; K1594-G1685 WeakPolarHBondContact CE-O 3.44Å; K1594-G1685 PolarHBondContact NZ-O 3.28Å; G1656-G1685 PolarHBondContact N-O 3.05Å; G1656-G1685 VanDerWaalsContact N-O 3.1Å; G1656-G1685 CarbonylContact O-C 3.52Å; G1656-G1685 VanDerWaalsContact O-CA 3.28Å; G1656-G1685 WeakPolarHBondContact O-CA 3.35Å; G1656-G1685 VanDerWaalsContact O-O 3.09Å; T1683-G1685 PolarHBondContact O-N 3.07Å; T1683-G1685 VanDerWaalsContact O-N 3.13Å; T1683-G1685 PolarHBondContact OG1-N 3.14Å |
| 1686 | Y | 93.3 | Very high | 89.4 | Confident | 63.4 Ų | 63.4 | 49.9 Ų | 49.9 | 25% | 0.249 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 155.3 | 175.5 | 72.9 | -93.7 | 0 | 0 | 0 | 113.2 | I1653 V1654 Y1655 Q1681 T1683 K1688 | I1653-Y1686 HydrophobicContact CG2-CD2 3.91Å; I1653-Y1686 HydrophobicContact CG2-CG 4.2Å; V1654-Y1686 CarbonylContact O-C 3.5Å; V1654-Y1686 WeakPolarHBondContact O-CA 3.28Å; V1654-Y1686 VanDerWaalsContact O-CB 3.27Å; V1654-Y1686 WeakPolarHBondContact O-CB 3.26Å; Y1655-Y1686 HydrophobicContact CE1-CG 4.47Å; Q1681-Y1686 VanDerWaalsContact CD-OH 3.32Å; Q1681-Y1686 HydrophobicContact CG-CE2 4.46Å; Q1681-Y1686 PolarHBondContact NE2-OH 3.13Å; Q1681-Y1686 VanDerWaalsContact NE2-OH 3.09Å; Q1681-Y1686 PolarHBondContact OE1-OH 3.26Å; T1683-Y1686 HydrophobicContact CG2-CD1 4.1Å; T1683-Y1686 HydrophobicContact CG2-CE1 3.49Å; T1683-Y1686 VanDerWaalsContact CG2-CE1 3.46Å; T1683-Y1686 HydrophobicContact CG2-CE2 4.21Å; T1683-Y1686 VanDerWaalsContact CG2-CZ 3.46Å; T1683-Y1686 PolarHBondContact N-O 3.03Å; T1683-Y1686 WeakPolarHBondContact OG1-CD1 3.32Å; T1683-Y1686 VanDerWaalsContact OG1-CE1 3.31Å; T1683-Y1686 WeakPolarHBondContact OG1-CE1 3.35Å; T1683-Y1686 PolarHBondContact OG1-N 3.03Å; T1683-Y1686 PolarHBondContact OG1-O 3.07Å; T1683-Y1686 VanDerWaalsContact OG1-O 3.14Å; Y1686-K1688 HydrophobicContact CD2-CB 4.43Å; Y1686-K1688 HydrophobicContact CE2-CB 4.3Å |
| 1687 | I | 94.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 129.3 | 169.5 | -58.6 | 160 | 0 | 0 | 0 | 108.7 | I1653 V1654 F1659 N1667 I1669 I1679 Q1681 V1682 V1709 I1711 | I1653-I1687 CarbonylContact C-O 3.52Å; I1653-I1687 WeakPolarHBondContact CA-O 3.39Å; V1654-I1687 HydrophobicContact CB-CB 4.45Å; V1654-I1687 PolarHBondContact N-O 3.01Å; V1654-I1687 PolarHBondContact O-N 3.01Å; F1659-I1687 HydrophobicContact CB-CD1 4.36Å; F1659-I1687 HydrophobicContact CB-CG1 4.3Å; F1659-I1687 HydrophobicContact CD1-CD1 3.7Å; F1659-I1687 HydrophobicContact CD1-CG1 4.33Å; F1659-I1687 HydrophobicContact CD2-CD1 4.01Å; F1659-I1687 HydrophobicContact CD2-CG1 3.74Å; F1659-I1687 HydrophobicContact CE1-CD1 3.9Å; F1659-I1687 HydrophobicContact CE2-CD1 4.19Å; F1659-I1687 HydrophobicContact CE2-CG1 4.1Å; F1659-I1687 HydrophobicContact CG-CD1 3.75Å; F1659-I1687 HydrophobicContact CG-CG1 3.86Å; F1659-I1687 HydrophobicContact CZ-CD1 4.13Å; F1659-I1687 HydrophobicContact CZ-CG1 4.47Å; N1667-I1687 HydrophobicContact CB-CD1 3.87Å; N1667-I1687 HydrophobicContact CB-CG1 4.47Å; I1669-I1687 HydrophobicContact CD1-CB 3.79Å; I1669-I1687 HydrophobicContact CD1-CD1 4.28Å; I1669-I1687 HydrophobicContact CD1-CG2 3.35Å; I1669-I1687 HydrophobicContact CG1-CD1 4.4Å; I1669-I1687 HydrophobicContact CG1-CG2 4.32Å; I1679-I1687 HydrophobicContact CD1-CG2 4.12Å; I1679-I1687 HydrophobicContact CG1-CG2 4.01Å; I1679-I1687 HydrophobicContact CG2-CG2 4.02Å; Q1681-I1687 CarbonylContact O-C 3.57Å; Q1681-I1687 WeakPolarHBondContact O-CA 3.2Å; V1682-I1687 HydrophobicContact CG1-CG1 4.04Å; V1682-I1687 HydrophobicContact CG2-CG1 4.33Å; V1682-I1687 HydrophobicContact CG2-CG2 4.2Å; I1687-V1709 HydrophobicContact CD1-CG1 4.19Å; I1687-I1711 HydrophobicContact CD1-CD1 4.42Å |
| 1688 | K | 94.2 | Very high | 86.5 | Confident | 43.6 Ų | 43.6 | 50.5 Ų | 50.5 | 19% | 0.19 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.6 | 173.1 | -177.5 | -179.2 | -112.1 | -171.8 | 0 | 109.7 | Q1651 L1652 I1653 I1680 Q1681 Y1686 | Q1651-K1688 VanDerWaalsContact CD-NZ 3.27Å; L1652-K1688 CarbonylContact O-C 3.53Å; L1652-K1688 VanDerWaalsContact O-CA 3.3Å; L1652-K1688 WeakPolarHBondContact O-CA 3.31Å; I1653-K1688 HydrophobicContact CG1-CB 4.36Å; I1653-K1688 HydrophobicContact CG1-CD 4.44Å; I1653-K1688 HydrophobicContact CG1-CG 4.09Å; I1680-K1688 HydrophobicContact CB-CG 4.45Å; I1680-K1688 HydrophobicContact CD1-CD 4.38Å; I1680-K1688 HydrophobicContact CD1-CG 4.31Å; I1680-K1688 PolarHBondContact N-O 3.02Å; Q1681-K1688 HydrophobicContact CB-CB 4.2Å; Q1681-K1688 PolarHBondContact N-O 3.01Å; Q1681-K1688 VanDerWaalsContact N-O 3.1Å; Q1681-K1688 PolarHBondContact O-N 3.03Å; Y1686-K1688 HydrophobicContact CD2-CB 4.43Å; Y1686-K1688 HydrophobicContact CE2-CB 4.3Å |
| 1689 | C | 94.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 158.3 | -178.6 | 71.4 | 0 | 0 | 0 | 0 | 113.2 | Q1651 L1652 I1669 C1677 S1678 I1679 | Q1651-C1689 CarbonylContact C-O 3.57Å; Q1651-C1689 WeakPolarHBondContact CA-O 3.38Å; L1652-C1689 PolarHBondContact N-O 2.89Å; L1652-C1689 PolarHBondContact O-N 3.05Å; I1669-C1689 HydrophobicContact CD1-CB 4.3Å; C1677-C1689 HydrophobicContact CB-CB 3.76Å; C1677-C1689 WeakPolarHBondContact CB-SG 3.38Å; C1677-C1689 VanDerWaalsContact SG-C 3.58Å; C1677-C1689 WeakPolarHBondContact SG-CB 3.32Å; C1677-C1689 CovalentContact SG-SG 2.03Å; C1677-C1689 PolarHBondContact SG-SG 2.96Å; S1678-C1689 CarbonylContact O-C 3.52Å; S1678-C1689 VanDerWaalsContact O-CA 3.22Å; S1678-C1689 WeakPolarHBondContact O-CA 3.34Å; S1678-C1689 WeakPolarHBondContact O-CB 3.26Å; I1679-C1689 HydrophobicContact CG1-CB 4.37Å |
| 1690 | L | 92.8 | Very high | 83.6 | Confident | 65.4 Ų | 65.4 | 56.5 Ų | 56.5 | 34% | 0.342 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 124 | 172 | -85.1 | 161 | 0 | 0 | 0 | 110.6 | G1649 G1650 Q1651 C1677 S1678 I1680 | G1649-L1690 WeakPolarHBondContact O-CD1 3.5Å; G1649-L1690 WeakPolarHBondContact O-CD2 3.49Å; G1650-L1690 CarbonylContact O-C 3.49Å; G1650-L1690 WeakPolarHBondContact O-CA 3.32Å; Q1651-L1690 HydrophobicContact CG-CD2 4.19Å; C1677-L1690 PolarHBondContact SG-O 3.03Å; S1678-L1690 PolarHBondContact N-O 2.87Å; S1678-L1690 VanDerWaalsContact N-O 3.13Å; S1678-L1690 PolarHBondContact O-N 3.08Å; I1680-L1690 HydrophobicContact CD1-CB 4.15Å; I1680-L1690 HydrophobicContact CD1-CD1 4.43Å; I1680-L1690 HydrophobicContact CD1-CD2 3.81Å; I1680-L1690 HydrophobicContact CD1-CG 3.6Å; I1680-L1690 HydrophobicContact CG1-CB 4.46Å; I1680-L1690 HydrophobicContact CG1-CG 4.04Å |
| 1691 | V | 92.6 | Very high | 82.7 | Confident | 3.6 Ų | 3.6 | 55 Ų | 55 | 2% | 0.022 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 128.2 | -178.6 | 177.7 | 0 | 0 | 0 | 0 | 110.1 | G1649 G1650 L1652 L1671 Y1732 Y1734 | G1649-V1691 WeakPolarHBondContact CA-O 3.4Å; G1649-V1691 PolarHBondContact N-O 2.92Å; G1650-V1691 WeakPolarHBondContact O-CG2 3.12Å; G1650-V1691 PolarHBondContact O-N 2.95Å; L1652-V1691 HydrophobicContact CB-CG2 3.64Å; L1652-V1691 HydrophobicContact CD2-CG2 4.33Å; L1652-V1691 HydrophobicContact CG-CG2 4.47Å; L1671-V1691 HydrophobicContact CD1-CG1 3.86Å; L1671-V1691 HydrophobicContact CD1-CG2 4.43Å; V1691-Y1732 HydrophobicContact CB-CE1 4.33Å; V1691-Y1732 HydrophobicContact CB-CE2 4.38Å; V1691-Y1732 HydrophobicContact CG1-CD1 4.16Å; V1691-Y1732 HydrophobicContact CG1-CE1 3.61Å; V1691-Y1732 HydrophobicContact CG1-CE2 4.36Å; V1691-Y1732 HydrophobicContact CG1-CG 4.46Å; V1691-Y1732 HydrophobicContact CG2-CD1 4.49Å; V1691-Y1732 HydrophobicContact CG2-CD2 4.23Å; V1691-Y1732 HydrophobicContact CG2-CE1 4.21Å; V1691-Y1732 HydrophobicContact CG2-CE2 3.73Å; V1691-Y1734 HydrophobicContact CG1-CE1 3.76Å; V1691-Y1734 VanDerWaalsContact CG1-OH 3.28Å; V1691-Y1734 WeakPolarHBondContact CG1-OH 3.28Å |
| 1692 | P | 90.8 | Very high | 82.2 | Confident | 26.2 Ų | 26.2 | 55 Ų | 55 | 17% | 0.17 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 167.5 | 179.7 | 29.4 | -35 | 0 | 0 | 0 | 112.6 | L1671 K1675 Y1734 | L1671-P1692 HydrophobicContact CD1-CG 4.2Å; K1675-P1692 HydrophobicContact CB-CB 4.26Å; K1675-P1692 HydrophobicContact CB-CG 3.7Å; K1675-P1692 HydrophobicContact CD-CB 4.09Å; K1675-P1692 HydrophobicContact CD-CG 4.32Å; K1675-P1692 HydrophobicContact CG-CG 4.49Å; P1692-Y1734 WeakPolarHBondContact O-CE1 3.29Å; P1692-Y1734 PolarHBondContact O-OH 2.94Å; P1692-Y1734 VanDerWaalsContact O-OH 3.13Å |
| 1693 | I | 86.4 | Confident | 81.8 | Confident | 88.4 Ų | 88.4 | 57.1 Ų | 57.1 | 45% | 0.453 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 131.4 | 170.5 | -53.6 | -178.8 | 0 | 0 | 0 | 108.7 | Y1647 K1675 P1697 | Y1647-I1693 WeakPolarHBondContact O-CG1 3.33Å; K1675-I1693 WeakPolarHBondContact CD-O 3.43Å; K1675-I1693 WeakPolarHBondContact CE-O 3.26Å; K1675-I1693 PolarHBondContact NZ-O 2.98Å; I1693-P1697 HydrophobicContact CG2-CB 4.43Å; I1693-P1697 HydrophobicContact CG2-CG 4.35Å |
| 1694 | P | 81.1 | Confident | 81.6 | Confident | 18.8 Ų | 18.8 | 60.2 Ų | 60.2 | 12% | 0.122 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -67 | 151.7 | 175.7 | 26.9 | -31.4 | 0 | 0 | 0 | 111.2 | I1646 K1675 N1696 P1697 Y1734 | I1646-P1694 VanDerWaalsContact O-CD 3.28Å; I1646-P1694 WeakPolarHBondContact O-CD 3.36Å; I1646-P1694 WeakPolarHBondContact O-CG 3.28Å; K1675-P1694 VanDerWaalsContact NZ-C 3.28Å; P1694-N1696 VanDerWaalsContact C-N 3.33Å; P1694-N1696 PolarHBondContact O-N 2.99Å; P1694-P1697 HydrophobicContact CG-CB 4.42Å; P1694-P1697 WeakPolarHBondContact O-CD 3.29Å; P1694-Y1734 HydrophobicContact CB-CD1 4.45Å; P1694-Y1734 HydrophobicContact CB-CD2 4.24Å; P1694-Y1734 HydrophobicContact CB-CE1 4.35Å; P1694-Y1734 HydrophobicContact CB-CE2 4.25Å; P1694-Y1734 HydrophobicContact CB-CG 4.5Å; P1694-Y1734 VanDerWaalsContact CD-CE1 3.44Å; P1694-Y1734 HydrophobicContact CG-CD1 3.95Å; P1694-Y1734 HydrophobicContact CG-CD2 4.32Å; P1694-Y1734 HydrophobicContact CG-CE1 3.96Å; P1694-Y1734 HydrophobicContact CG-CE2 4.27Å; P1694-Y1734 HydrophobicContact CG-CG 4.3Å |
| 1695 | D | 74.2 | Confident | 81.7 | Confident | 104.8 Ų | 104.8 | 59.2 Ų | 59.2 | 56% | 0.56 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -66.9 | -25.8 | -173.7 | -76.9 | -44.9 | 0 | 0 | 0 | 114.5 | K1675 P1697 | K1675-D1695 WeakPolarHBondContact CE-OD1 3.32Å; K1675-D1695 WeakPolarHBondContact CE-OD2 3.19Å; K1675-D1695 VanDerWaalsContact NZ-CG 3.26Å; K1675-D1695 VanDerWaalsContact NZ-N 3.2Å; K1675-D1695 IonicContact NZ-OD1 3.7Å; K1675-D1695 PolarHBondContact NZ-OD1 3.08Å; K1675-D1695 IonicContact NZ-OD2 3.38Å; K1675-D1695 PolarHBondContact NZ-OD2 3.24Å; D1695-P1697 WeakPolarHBondContact O-CD 3.38Å |
| 1696 | N | 68.6 | Low | 81.7 | Confident | 124.6 Ų | 124.6 | 61.2 Ų | 61.2 | 67% | 0.666 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -128.2 | 83.3 | 173.7 | -81.4 | -38.4 | 0 | 0 | 0 | 110.1 | P1694 T1698 I1703 | P1694-N1696 VanDerWaalsContact C-N 3.33Å; P1694-N1696 PolarHBondContact O-N 2.99Å; N1696-T1698 VanDerWaalsContact C-N 3.3Å; N1696-T1698 PolarHBondContact O-N 3.18Å; N1696-T1698 VanDerWaalsContact O-N 3.1Å; N1696-I1703 WeakPolarHBondContact O-CD1 3.35Å |
| 1697 | P | 63 | Low | 81.6 | Confident | 47.8 Ų | 47.8 | 58.5 Ų | 58.5 | 31% | 0.31 | 32% | 0.319 | S | S | . | . | trans | -68.7 | 58.9 | 173.6 | 28.2 | -31.6 | 0 | 0 | 0 | 110.5 | Y1647 I1693 P1694 D1695 N1699 | Y1647-P1697 HydrophobicContact CD1-CB 3.83Å; Y1647-P1697 HydrophobicContact CE1-CB 3.8Å; I1693-P1697 HydrophobicContact CG2-CB 4.43Å; I1693-P1697 HydrophobicContact CG2-CG 4.35Å; P1694-P1697 HydrophobicContact CG-CB 4.42Å; P1694-P1697 WeakPolarHBondContact O-CD 3.29Å; D1695-P1697 WeakPolarHBondContact O-CD 3.38Å; P1697-N1699 PolarHBondContact O-N 3.13Å | ||
| 1698 | T | 59.4 | Low | 81.4 | Confident | 81.4 Ų | 81.4 | 61.6 Ų | 61.6 | 50% | 0.499 | 33% | 0.333 | S | S | . | . | trans | -74.4 | 79.2 | 175.3 | 46.3 | 0 | 0 | 0 | 0 | 110.9 | N1696 E1700 S1701 I1703 | N1696-T1698 VanDerWaalsContact C-N 3.3Å; N1696-T1698 PolarHBondContact O-N 3.18Å; N1696-T1698 VanDerWaalsContact O-N 3.1Å; T1698-E1700 PolarHBondContact O-N 3.1Å; T1698-E1700 VanDerWaalsContact O-N 3.08Å; T1698-S1701 WeakPolarHBondContact CB-OG 3.31Å; T1698-S1701 PolarHBondContact OG1-O 3.45Å; T1698-S1701 PolarHBondContact OG1-OG 2.92Å; T1698-S1701 VanDerWaalsContact OG1-OG 3.08Å; T1698-I1703 HydrophobicContact CG2-CD1 4.42Å | ||
| 1699 | N | 58.9 | Low | 81.3 | Confident | 98.6 Ų | 98.6 | 59.7 Ų | 59.7 | 53% | 0.527 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 32.2 | -179.4 | -83 | -17.6 | 0 | 0 | 0 | 112.7 | Y1647 P1697 S1701 K1824 | Y1647-N1699 PolarHBondContact OH-OD1 3.15Å; Y1647-N1699 VanDerWaalsContact OH-OD1 3.08Å; P1697-N1699 PolarHBondContact O-N 3.13Å; N1699-S1701 PolarHBondContact O-N 3.03Å; N1699-K1824 PolarHBondContact O-NZ 3.07Å |
| 1700 | E | 66.6 | Low | 81.2 | Confident | 155 Ų | 155 | 61.6 Ų | 61.6 | 72% | 0.724 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 19.6 | -175.9 | -62.2 | -172.1 | 166.4 | 0 | 0 | 114.1 | T1698 L1736 K1824 | T1698-E1700 PolarHBondContact O-N 3.1Å; T1698-E1700 VanDerWaalsContact O-N 3.08Å; E1700-L1736 HydrophobicContact CB-CD2 4.34Å; E1700-K1824 WeakPolarHBondContact OE1-CE 3.12Å; E1700-K1824 IonicContact OE1-NZ 2.68Å; E1700-K1824 PolarHBondContact OE1-NZ 2.77Å |
| 1701 | S | 72.4 | Confident | 81.2 | Confident | 58 Ų | 58 | 58.6 Ų | 58.6 | 41% | 0.406 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -129.9 | 143.9 | 179.6 | 54.6 | 0 | 0 | 0 | 0 | 112 | T1698 N1699 I1703 | T1698-S1701 WeakPolarHBondContact CB-OG 3.31Å; T1698-S1701 PolarHBondContact OG1-O 3.45Å; T1698-S1701 PolarHBondContact OG1-OG 2.92Å; T1698-S1701 VanDerWaalsContact OG1-OG 3.08Å; N1699-S1701 PolarHBondContact O-N 3.03Å; S1701-I1703 PolarHBondContact O-N 3.07Å |
| 1702 | N | 81.7 | Confident | 81.2 | Confident | 85.6 Ų | 85.6 | 60.3 Ų | 60.3 | 46% | 0.458 | 33% | 0.326 | S | S | . | . | trans | -69 | 142.7 | 171.6 | -66.2 | -0.9 | 0 | 0 | 0 | 110.2 | Y1734 D1735 L1736 | N1702-Y1734 CarbonylContact C-O 3.53Å; N1702-Y1734 VanDerWaalsContact CA-O 3.26Å; N1702-Y1734 WeakPolarHBondContact CA-O 3.31Å; N1702-Y1734 WeakPolarHBondContact CB-O 3.12Å; N1702-D1735 VanDerWaalsContact CG-CG 3.47Å; N1702-D1735 VanDerWaalsContact ND2-CG 3.29Å; N1702-D1735 PolarHBondContact ND2-OD1 2.88Å; N1702-D1735 PolarHBondContact ND2-OD2 2.77Å; N1702-D1735 VanDerWaalsContact ND2-OD2 3.11Å; N1702-D1735 WeakPolarHBondContact OD1-CA 3.39Å; N1702-D1735 PolarHBondContact OD1-OD1 3.05Å; N1702-L1736 PolarHBondContact OD1-N 3.02Å | ||
| 1703 | I | 86.1 | Confident | 81.1 | Confident | 57 Ų | 57 | 59.4 Ų | 59.4 | 29% | 0.292 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 122.6 | 179.4 | -55.2 | 172.3 | 0 | 0 | 0 | 108.7 | N1696 T1698 S1701 V1705 S1733 Y1734 | N1696-I1703 WeakPolarHBondContact O-CD1 3.35Å; T1698-I1703 HydrophobicContact CG2-CD1 4.42Å; S1701-I1703 PolarHBondContact O-N 3.07Å; I1703-V1705 HydrophobicContact CG2-CG1 4.17Å; I1703-S1733 CarbonylContact O-C 3.55Å; I1703-S1733 WeakPolarHBondContact O-CA 3.16Å; I1703-Y1734 HydrophobicContact CB-CD2 4.39Å; I1703-Y1734 PolarHBondContact N-O 3Å; I1703-Y1734 WeakPolarHBondContact O-CB 3.1Å; I1703-Y1734 WeakPolarHBondContact O-CD2 3.48Å; I1703-Y1734 PolarHBondContact O-N 3.21Å |
| 1704 | D | 87.3 | Confident | 81 | Confident | 101.6 Ų | 101.6 | 60.1 Ų | 60.1 | 54% | 0.543 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 130.7 | 172.8 | -69.5 | -18.3 | 0 | 0 | 0 | 109.5 | I1731 Y1732 S1733 | D1704-I1731 HydrophobicContact CB-CG2 3.66Å; D1704-I1731 VanDerWaalsContact CB-CG2 3.46Å; D1704-Y1732 CarbonylContact C-O 3.39Å; D1704-Y1732 WeakPolarHBondContact CA-O 3.42Å; D1704-S1733 WeakPolarHBondContact OD1-CA 3.46Å; D1704-S1733 VanDerWaalsContact OD1-CB 3.23Å; D1704-S1733 WeakPolarHBondContact OD1-CB 3.29Å; D1704-S1733 PolarHBondContact OD1-OG 2.92Å |
| 1705 | V | 88.2 | Confident | 80.6 | Confident | 12.8 Ų | 12.8 | 66.6 Ų | 66.6 | 8% | 0.078 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 144.1 | 177.7 | -64.6 | 0 | 0 | 0 | 0 | 111 | L1671 N1672 I1703 I1731 Y1732 Y1734 | L1671-V1705 HydrophobicContact CB-CB 4.47Å; L1671-V1705 HydrophobicContact CB-CG2 4.07Å; L1671-V1705 HydrophobicContact CD1-CG2 4.31Å; L1671-V1705 HydrophobicContact CD2-CG2 4.01Å; L1671-V1705 HydrophobicContact CG-CG2 4.37Å; N1672-V1705 HydrophobicContact CB-CB 4.24Å; N1672-V1705 HydrophobicContact CB-CG1 4.24Å; N1672-V1705 WeakPolarHBondContact ND2-CG1 3.35Å; N1672-V1705 VanDerWaalsContact OD1-CA 3.26Å; N1672-V1705 WeakPolarHBondContact OD1-CA 3.43Å; N1672-V1705 WeakPolarHBondContact OD1-CB 3.39Å; I1703-V1705 HydrophobicContact CG2-CG1 4.17Å; V1705-I1731 CarbonylContact O-C 3.59Å; V1705-I1731 VanDerWaalsContact O-CA 3.3Å; V1705-I1731 WeakPolarHBondContact O-CA 3.19Å; V1705-Y1732 HydrophobicContact CG2-CD1 4.33Å; V1705-Y1732 VanDerWaalsContact CG2-O 3.26Å; V1705-Y1732 WeakPolarHBondContact CG2-O 3.29Å; V1705-Y1732 PolarHBondContact N-O 3.08Å; V1705-Y1732 PolarHBondContact O-N 3.18Å; V1705-Y1734 HydrophobicContact CB-CE2 4.37Å; V1705-Y1734 HydrophobicContact CG1-CD2 4.23Å; V1705-Y1734 HydrophobicContact CG1-CE2 3.91Å; V1705-Y1734 HydrophobicContact CG2-CD2 4.21Å; V1705-Y1734 HydrophobicContact CG2-CE2 3.66Å |
| 1706 | T | 89 | Confident | 80.5 | Confident | 48.6 Ų | 48.6 | 66.5 Ų | 66.5 | 30% | 0.298 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 141.2 | 176.3 | 53 | 0 | 0 | 0 | 0 | 111 | L1671 N1672 D1729 C1730 | L1671-T1706 CarbonylContact C-O 3.46Å; L1671-T1706 VanDerWaalsContact CA-O 3.32Å; L1671-T1706 WeakPolarHBondContact CA-O 3.32Å; N1672-T1706 PolarHBondContact N-O 2.93Å; N1672-T1706 PolarHBondContact OD1-N 2.99Å; N1672-T1706 PolarHBondContact OD1-OG1 2.76Å; T1706-D1729 HydrophobicContact CG2-CB 4.24Å; T1706-C1730 CarbonylContact C-O 3.45Å; T1706-C1730 WeakPolarHBondContact CA-O 3.4Å |
| 1707 | I | 90.9 | Very high | 80.9 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 124.6 | 176.3 | -56.5 | 162.7 | 0 | 0 | 0 | 108 | T1640 L1652 V1654 I1669 L1671 V1709 C1730 | T1640-I1707 HydrophobicContact CG2-CD1 3.83Å; L1652-I1707 HydrophobicContact CD1-CD1 3.92Å; L1652-I1707 HydrophobicContact CD2-CD1 3.98Å; L1652-I1707 HydrophobicContact CD2-CG1 4.16Å; L1652-I1707 HydrophobicContact CD2-CG2 4.38Å; V1654-I1707 HydrophobicContact CG2-CG2 4.04Å; I1669-I1707 HydrophobicContact CG2-CG2 4.01Å; L1671-I1707 HydrophobicContact CD2-CB 4.39Å; L1671-I1707 HydrophobicContact CD2-CG1 3.73Å; L1671-I1707 HydrophobicContact CD2-CG2 4.49Å; I1707-V1709 HydrophobicContact CG2-CG2 4.34Å; I1707-C1730 HydrophobicContact CB-CB 4Å; I1707-C1730 WeakPolarHBondContact CB-O 3.2Å; I1707-C1730 HydrophobicContact CD1-CB 4.26Å; I1707-C1730 HydrophobicContact CG1-CB 4.41Å; I1707-C1730 WeakPolarHBondContact CG1-O 3.45Å; I1707-C1730 PolarHBondContact N-O 3.02Å |
| 1708 | Q | 89.9 | Confident | 82 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 30% | 0.304 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 138.8 | 171.9 | -67.7 | -147.5 | -26.7 | 0 | 0 | 110.4 | I1669 T1670 N1673 | I1669-Q1708 CarbonylContact C-O 3.44Å; I1669-Q1708 VanDerWaalsContact CA-O 3.29Å; I1669-Q1708 WeakPolarHBondContact CA-O 3.28Å; T1670-Q1708 PolarHBondContact N-O 3.12Å; T1670-Q1708 PolarHBondContact O-N 3.04Å; T1670-Q1708 WeakPolarHBondContact OG1-CB 3.5Å; T1670-Q1708 PolarHBondContact OG1-OE1 2.86Å; N1673-Q1708 VanDerWaalsContact CG-OE1 3.23Å; N1673-Q1708 PolarHBondContact ND2-NE2 2.95Å; N1673-Q1708 PolarHBondContact ND2-OE1 3.2Å; N1673-Q1708 VanDerWaalsContact ND2-OE1 3.14Å; N1673-Q1708 VanDerWaalsContact OD1-CG 3.32Å; N1673-Q1708 WeakPolarHBondContact OD1-CG 3.41Å; N1673-Q1708 PolarHBondContact OD1-NE2 3.15Å; N1673-Q1708 PolarHBondContact OD1-OE1 2.93Å |
| 1709 | V | 92.5 | Very high | 83.5 | Confident | 3.8 Ų | 3.8 | 71.7 Ų | 71.7 | 2% | 0.023 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.5 | 178.4 | -175 | 0 | 0 | 0 | 0 | 109.2 | I1635 V1654 F1659 K1668 I1669 I1687 I1707 I1711 A1722 | I1635-V1709 HydrophobicContact CD1-CB 3.65Å; I1635-V1709 HydrophobicContact CD1-CG2 3.47Å; I1635-V1709 VanDerWaalsContact CD1-CG2 3.45Å; I1635-V1709 HydrophobicContact CG1-CB 4.05Å; I1635-V1709 HydrophobicContact CG1-CG2 3.86Å; I1635-V1709 HydrophobicContact CG2-CB 3.91Å; I1635-V1709 HydrophobicContact CG2-CG1 4.47Å; I1635-V1709 HydrophobicContact CG2-CG2 3.78Å; V1654-V1709 HydrophobicContact CG1-CG2 3.72Å; V1654-V1709 HydrophobicContact CG2-CG2 4.39Å; F1659-V1709 HydrophobicContact CE1-CG1 4.09Å; K1668-V1709 CarbonylContact O-C 3.56Å; K1668-V1709 VanDerWaalsContact O-CA 3.26Å; K1668-V1709 WeakPolarHBondContact O-CA 3.31Å; I1669-V1709 HydrophobicContact CG1-CG1 4.42Å; I1669-V1709 HydrophobicContact CG1-CG2 4.23Å; I1687-V1709 HydrophobicContact CD1-CG1 4.19Å; I1707-V1709 HydrophobicContact CG2-CG2 4.34Å; V1709-I1711 HydrophobicContact CG1-CD1 3.85Å; V1709-I1711 HydrophobicContact CG1-CG1 4.41Å; V1709-A1722 HydrophobicContact CB-CB 4.06Å; V1709-A1722 HydrophobicContact CG1-CB 4.37Å; V1709-A1722 WeakPolarHBondContact O-CB 3.26Å; V1709-A1722 PolarHBondContact O-N 2.78Å |
| 1710 | Q | 92.8 | Very high | 85 | Confident | 40 Ų | 40 | 69 Ų | 69 | 19% | 0.187 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 135.1 | 175 | -49.2 | -174.7 | -71.6 | 0 | 0 | 109.1 | K1668 W1719 I1720 D1721 | K1668-Q1710 HydrophobicContact CB-CB 4.44Å; K1668-Q1710 PolarHBondContact N-O 3.02Å; K1668-Q1710 PolarHBondContact O-N 3.1Å; Q1710-W1719 HydrophobicContact CB-CB 4.24Å; Q1710-W1719 HydrophobicContact CB-CD2 4.39Å; Q1710-W1719 HydrophobicContact CB-CE3 3.79Å; Q1710-W1719 HydrophobicContact CB-CG 4.49Å; Q1710-W1719 HydrophobicContact CB-CZ3 4.49Å; Q1710-W1719 VanDerWaalsContact O-CZ3 3.27Å; Q1710-W1719 WeakPolarHBondContact O-CZ3 3.32Å; Q1710-I1720 CarbonylContact C-O 3.54Å; Q1710-I1720 VanDerWaalsContact CA-O 3.3Å; Q1710-I1720 WeakPolarHBondContact CA-O 3.38Å; Q1710-D1721 VanDerWaalsContact CG-OD1 3.3Å; Q1710-D1721 WeakPolarHBondContact CG-OD1 3.24Å; Q1710-D1721 PolarHBondContact NE2-OD1 3.05Å |
| 1711 | I | 93.5 | Very high | 86.1 | Confident | 2.4 Ų | 2.4 | 66 Ų | 66 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.2 | 178.6 | -49.4 | -60.6 | 0 | 0 | 0 | 109.6 | T1600 P1633 F1659 F1666 N1667 I1687 V1709 I1720 | T1600-I1711 HydrophobicContact CG2-CB 4.34Å; T1600-I1711 HydrophobicContact CG2-CG2 4.24Å; P1633-I1711 HydrophobicContact CB-CB 4.3Å; P1633-I1711 HydrophobicContact CB-CG1 3.73Å; P1633-I1711 HydrophobicContact CG-CB 4.2Å; P1633-I1711 HydrophobicContact CG-CG1 4.1Å; F1659-I1711 HydrophobicContact CD1-CD1 3.64Å; F1659-I1711 HydrophobicContact CD1-CG1 4.16Å; F1659-I1711 HydrophobicContact CE1-CD1 4.23Å; F1666-I1711 CarbonylContact O-C 3.41Å; F1666-I1711 VanDerWaalsContact O-CA 3.28Å; F1666-I1711 WeakPolarHBondContact O-CA 3.27Å; N1667-I1711 HydrophobicContact CB-CD1 3.99Å; N1667-I1711 WeakPolarHBondContact OD1-CD1 3.3Å; I1687-I1711 HydrophobicContact CD1-CD1 4.42Å; V1709-I1711 HydrophobicContact CG1-CD1 3.85Å; V1709-I1711 HydrophobicContact CG1-CG1 4.41Å; I1711-I1720 PolarHBondContact N-O 3.02Å; I1711-I1720 PolarHBondContact O-N 3.21Å |
| 1712 | K | 92.5 | Very high | 87 | Confident | 40.4 Ų | 40.4 | 63.7 Ų | 63.7 | 18% | 0.176 | 32% | 0.32 | C | S | . | . | trans | -101.1 | 118.1 | 176 | -171 | 176.6 | 63.5 | 178.1 | 0 | 110.2 | F1666 Q1716 W1719 | F1666-K1712 HydrophobicContact CB-CB 4.27Å; F1666-K1712 VanDerWaalsContact CD1-CE 3.44Å; F1666-K1712 HydrophobicContact CD2-CB 4.41Å; F1666-K1712 VanDerWaalsContact CD2-O 3.26Å; F1666-K1712 WeakPolarHBondContact CD2-O 3.29Å; F1666-K1712 VanDerWaalsContact CE1-CE 3.4Å; F1666-K1712 HydrophobicContact CG-CB 4.34Å; F1666-K1712 PolarHBondContact O-N 3Å; K1712-Q1716 WeakPolarHBondContact CG-O 3.28Å; K1712-W1719 HydrophobicContact CB-CD2 4.08Å; K1712-W1719 HydrophobicContact CB-CE3 3.86Å; K1712-W1719 HydrophobicContact CB-CH2 4.32Å; K1712-W1719 HydrophobicContact CB-CZ2 4.44Å; K1712-W1719 HydrophobicContact CB-CZ3 3.98Å; K1712-W1719 HydrophobicContact CD-CZ2 4.49Å | ||
| 1713 | P | 88.4 | Confident | 87.2 | Confident | 5.8 Ų | 5.8 | 64.1 Ų | 64.1 | 4% | 0.038 | 32% | 0.319 | C | S | . | . | trans | -60.9 | 148.3 | 175.8 | -16.3 | 26.5 | 0 | 0 | 0 | 111.8 | T1600 N1715 Q1716 N1718 I1720 | T1600-P1713 HydrophobicContact CG2-CG 4.17Å; P1713-N1715 VanDerWaalsContact C-N 3.27Å; P1713-N1715 PolarHBondContact O-N 3.13Å; P1713-N1715 VanDerWaalsContact O-N 3.1Å; P1713-Q1716 HydrophobicContact CB-CB 4.14Å; P1713-Q1716 HydrophobicContact CB-CG 4.41Å; P1713-Q1716 HydrophobicContact CG-CB 4.13Å; P1713-Q1716 PolarHBondContact O-N 3.07Å; P1713-Q1716 VanDerWaalsContact O-N 3.13Å; P1713-N1718 VanDerWaalsContact CD-O 3.28Å; P1713-N1718 WeakPolarHBondContact CD-O 3.35Å; P1713-I1720 HydrophobicContact CG-CD1 3.52Å; P1713-I1720 VanDerWaalsContact CG-CD1 3.49Å; P1713-I1720 HydrophobicContact CG-CG1 4.15Å | ||
| 1714 | R | 83.2 | Confident | 86.8 | Confident | 103.6 Ų | 103.6 | 64.8 Ų | 64.8 | 39% | 0.391 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -29.3 | -180 | -66.1 | -178.5 | -178.8 | 175 | 1 | 114.4 | L1599 D1660 Y1663 F1666 | L1599-R1714 VanDerWaalsContact CD1-CZ 3.44Å; D1660-R1714 VanDerWaalsContact CG-NH2 3.33Å; D1660-R1714 IonicContact OD1-CZ 3.45Å; D1660-R1714 IonicContact OD1-NE 2.96Å; D1660-R1714 IonicContact OD1-NH2 3.4Å; D1660-R1714 PolarHBondContact OD1-NH2 3.09Å; D1660-R1714 WeakPolarHBondContact OD2-CG 3.49Å; D1660-R1714 IonicContact OD2-CZ 3.16Å; D1660-R1714 IonicContact OD2-NE 3.35Å; D1660-R1714 PolarHBondContact OD2-NE 2.98Å; D1660-R1714 IonicContact OD2-NH2 3.41Å; D1660-R1714 PolarHBondContact OD2-NH2 3.06Å; D1660-R1714 VanDerWaalsContact OD2-NH2 3.09Å; Y1663-R1714 HydrophobicContact CD2-CG 4.36Å; Y1663-R1714 HydrophobicContact CE2-CG 4.38Å; F1666-R1714 HydrophobicContact CD2-CG 4.3Å; F1666-R1714 HydrophobicContact CE2-CB 4.43Å; F1666-R1714 HydrophobicContact CE2-CG 4.13Å |
| 1715 | N | 73.6 | Confident | 85.8 | Confident | 155.6 Ų | 155.6 | 64.9 Ų | 64.9 | 83% | 0.832 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 2.8 | -174.9 | -60.7 | -17.7 | 0 | 0 | 0 | 113.1 | P1713 | P1713-N1715 VanDerWaalsContact C-N 3.27Å; P1713-N1715 PolarHBondContact O-N 3.13Å; P1713-N1715 VanDerWaalsContact O-N 3.1Å |
| 1716 | Q | 72.9 | Confident | 84.4 | Confident | 103.4 Ų | 103.4 | 68.5 Ų | 68.5 | 48% | 0.483 | 34% | 0.343 | S | S | . | . | trans | -136.5 | 148.8 | -176.1 | -60.5 | -176.8 | 7.1 | 0 | 0 | 111.1 | K1712 P1713 | K1712-Q1716 WeakPolarHBondContact CG-O 3.28Å; P1713-Q1716 HydrophobicContact CB-CB 4.14Å; P1713-Q1716 HydrophobicContact CB-CG 4.41Å; P1713-Q1716 HydrophobicContact CG-CB 4.13Å; P1713-Q1716 PolarHBondContact O-N 3.07Å; P1713-Q1716 VanDerWaalsContact O-N 3.13Å | ||
| 1717 | N | 75.7 | Confident | 82.8 | Confident | 146 Ų | 146 | 74.6 Ų | 74.6 | 78% | 0.781 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -90.3 | -5.3 | 179.2 | -82 | -13.4 | 0 | 0 | 0 | 114.1 | ||
| 1718 | N | 87.1 | Confident | 81.4 | Confident | 117.8 Ų | 117.8 | 76.5 Ų | 76.5 | 63% | 0.63 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -91.1 | 140.2 | -176.2 | -64.5 | -18.3 | 0 | 0 | 0 | 110.9 | P1713 | P1713-N1718 VanDerWaalsContact CD-O 3.28Å; P1713-N1718 WeakPolarHBondContact CD-O 3.35Å |
| 1719 | W | 89.6 | Confident | 80.7 | Confident | 98.4 Ų | 98.4 | 77.8 Ų | 77.8 | 37% | 0.373 | 39% | 0.391 | S | S | . | . | trans | -77.5 | 137 | 171.3 | -68.3 | 94.7 | 0 | 0 | 0 | 109.9 | N1665 F1666 K1668 Q1710 K1712 | N1665-W1719 VanDerWaalsContact O-CH2 3.23Å; N1665-W1719 WeakPolarHBondContact O-CH2 3.33Å; F1666-W1719 VanDerWaalsContact O-CZ3 3.32Å; F1666-W1719 WeakPolarHBondContact O-CZ3 3.38Å; K1668-W1719 HydrophobicContact CB-CE3 4.16Å; K1668-W1719 HydrophobicContact CB-CH2 3.76Å; K1668-W1719 HydrophobicContact CB-CZ2 4.35Å; K1668-W1719 HydrophobicContact CB-CZ3 3.52Å; K1668-W1719 VanDerWaalsContact CB-CZ3 3.45Å; K1668-W1719 HydrophobicContact CD-CH2 4.39Å; K1668-W1719 HydrophobicContact CD-CZ2 4.37Å; K1668-W1719 HydrophobicContact CD-CZ3 4.44Å; K1668-W1719 HydrophobicContact CG-CH2 4.47Å; Q1710-W1719 HydrophobicContact CB-CB 4.24Å; Q1710-W1719 HydrophobicContact CB-CD2 4.39Å; Q1710-W1719 HydrophobicContact CB-CE3 3.79Å; Q1710-W1719 HydrophobicContact CB-CG 4.49Å; Q1710-W1719 HydrophobicContact CB-CZ3 4.49Å; Q1710-W1719 VanDerWaalsContact O-CZ3 3.27Å; Q1710-W1719 WeakPolarHBondContact O-CZ3 3.32Å; K1712-W1719 HydrophobicContact CB-CD2 4.08Å; K1712-W1719 HydrophobicContact CB-CE3 3.86Å; K1712-W1719 HydrophobicContact CB-CH2 4.32Å; K1712-W1719 HydrophobicContact CB-CZ2 4.44Å; K1712-W1719 HydrophobicContact CB-CZ3 3.98Å; K1712-W1719 HydrophobicContact CD-CZ2 4.49Å | ||
| 1720 | I | 91.2 | Very high | 80.4 | Confident | 41.6 Ų | 41.6 | 77.9 Ų | 77.9 | 21% | 0.213 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.7 | 175.4 | -58 | -177.2 | 0 | 0 | 0 | 107.8 | T1600 L1632 P1633 Q1710 I1711 P1713 | T1600-I1720 HydrophobicContact CG2-CB 4.38Å; T1600-I1720 HydrophobicContact CG2-CD1 3.86Å; L1632-I1720 HydrophobicContact CD2-CD1 4.27Å; L1632-I1720 HydrophobicContact CD2-CG2 4.39Å; P1633-I1720 HydrophobicContact CG-CB 4.4Å; P1633-I1720 HydrophobicContact CG-CG2 4Å; Q1710-I1720 CarbonylContact C-O 3.54Å; Q1710-I1720 VanDerWaalsContact CA-O 3.3Å; Q1710-I1720 WeakPolarHBondContact CA-O 3.38Å; I1711-I1720 PolarHBondContact N-O 3.02Å; I1711-I1720 PolarHBondContact O-N 3.21Å; P1713-I1720 HydrophobicContact CG-CD1 3.52Å; P1713-I1720 VanDerWaalsContact CG-CD1 3.49Å; P1713-I1720 HydrophobicContact CG-CG1 4.15Å |
| 1721 | D | 90.3 | Very high | 80.2 | Confident | 93.2 Ų | 93.2 | 78.6 Ų | 78.6 | 50% | 0.498 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 132.3 | 175.2 | -63.3 | -29.7 | 0 | 0 | 0 | 109.9 | Q1710 Q1723 | Q1710-D1721 VanDerWaalsContact CG-OD1 3.3Å; Q1710-D1721 WeakPolarHBondContact CG-OD1 3.24Å; Q1710-D1721 PolarHBondContact NE2-OD1 3.05Å; D1721-Q1723 PolarHBondContact O-N 3.03Å |
| 1722 | A | 90.2 | Very high | 80.1 | Confident | 8.6 Ų | 8.6 | 78.5 Ų | 78.5 | 7% | 0.071 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 133.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | P1633 I1635 V1709 | P1633-A1722 HydrophobicContact CB-CB 3.94Å; P1633-A1722 HydrophobicContact CG-CB 4.27Å; P1633-A1722 CarbonylContact O-C 3.59Å; P1633-A1722 VanDerWaalsContact O-CA 3.32Å; P1633-A1722 WeakPolarHBondContact O-CA 3.27Å; I1635-A1722 HydrophobicContact CB-CB 4.3Å; I1635-A1722 HydrophobicContact CD1-CB 3.98Å; I1635-A1722 HydrophobicContact CG1-CB 3.67Å; I1635-A1722 HydrophobicContact CG2-CB 4.04Å; V1709-A1722 HydrophobicContact CB-CB 4.06Å; V1709-A1722 HydrophobicContact CG1-CB 4.37Å; V1709-A1722 WeakPolarHBondContact O-CB 3.26Å; V1709-A1722 PolarHBondContact O-N 2.78Å |
| 1723 | Q | 85.7 | Confident | 80 | Confident | 94 Ų | 94 | 78 Ų | 78 | 44% | 0.439 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | -74.4 | 155.7 | 175.1 | -103.1 | -106.6 | -43.2 | 0 | 0 | 110.6 | Y1543 P1633 E1634 I1635 D1721 | Y1543-Q1723 HydrophobicContact CD1-CB 4.17Å; Y1543-Q1723 HydrophobicContact CD1-CG 3.83Å; Y1543-Q1723 HydrophobicContact CE1-CB 4.03Å; Y1543-Q1723 HydrophobicContact CE1-CG 3.85Å; Y1543-Q1723 VanDerWaalsContact CE1-OE1 3.28Å; Y1543-Q1723 HydrophobicContact CE2-CG 4.43Å; Y1543-Q1723 PolarHBondContact OH-OE1 2.93Å; P1633-Q1723 PolarHBondContact O-N 3.09Å; E1634-Q1723 CarbonylContact C-O 3.57Å; E1634-Q1723 VanDerWaalsContact CA-O 3.27Å; E1634-Q1723 WeakPolarHBondContact CA-O 3.23Å; E1634-Q1723 HydrophobicContact CG-CB 4.4Å; E1634-Q1723 VanDerWaalsContact CG-O 3.23Å; E1634-Q1723 WeakPolarHBondContact CG-O 3.14Å; I1635-Q1723 PolarHBondContact N-O 3.19Å; D1721-Q1723 PolarHBondContact O-N 3.03Å |
| 1724 | H | 78.6 | Confident | 80.1 | Confident | 72.8 Ų | 72.8 | 78 Ų | 78 | 34% | 0.337 | 40% | 0.396 | S | S | . | . | trans | -135.3 | 146.7 | 172.4 | 41.5 | 81.2 | 0 | 0 | 0 | 109.6 | I1635 C1637 T1726 H1727 S1728 D1729 | I1635-H1724 HydrophobicContact CD1-CB 4.29Å; I1635-H1724 HydrophobicContact CG1-CB 3.67Å; I1635-H1724 HydrophobicContact CG2-CB 3.67Å; I1635-H1724 WeakPolarHBondContact O-CB 3.42Å; C1637-H1724 VanDerWaalsContact SG-CB 3.51Å; C1637-H1724 VanDerWaalsContact SG-CG 3.57Å; H1724-T1726 VanDerWaalsContact C-N 3.31Å; H1724-T1726 PolarHBondContact ND1-O 3.45Å; H1724-T1726 PolarHBondContact O-N 3.15Å; H1724-H1727 AromaticContact CE1-CE1 3.65Å; H1724-H1727 AromaticContact CE1-CG 3.9Å; H1724-H1727 AromaticContact CE1-ND1 2.96Å; H1724-H1727 PolarHBondContact CE1-ND1 3.31Å; H1724-H1727 AromaticContact ND1-ND1 3.88Å; H1724-H1727 AromaticContact NE2-CE1 3.5Å; H1724-H1727 PolarHBondContact NE2-CE1 2.85Å; H1724-H1727 AromaticContact NE2-ND1 3.09Å; H1724-H1727 PolarHBondContact NE2-ND1 3.19Å; H1724-S1728 PolarHBondContact CE1-O 2.83Å; H1724-S1728 VanDerWaalsContact CE1-O 3.29Å; H1724-S1728 PolarHBondContact ND1-O 3.14Å; H1724-D1729 IonicContact CE1-OD1 3.28Å | ||
| 1725 | D | 65.2 | Low | 80.3 | Confident | 103.4 Ų | 103.4 | 74 Ų | 74 | 55% | 0.553 | 38% | 0.382 | S | S | * | . | trans | -67.5 | 13.1 | -176.9 | -139.5 | -8.3 | 0 | 0 | 0 | 112.7 | H1727 S1728 | D1725-H1727 VanDerWaalsContact CG-ND1 3.26Å; D1725-H1727 PolarHBondContact O-N 3.07Å; D1725-H1727 VanDerWaalsContact O-N 3.16Å; D1725-H1727 IonicContact OD1-CE1 3.23Å; D1725-H1727 IonicContact OD1-CG 3.41Å; D1725-H1727 PolarHBondContact OD1-N 3.23Å; D1725-H1727 IonicContact OD1-ND1 3.56Å; D1725-H1727 PolarHBondContact OD1-ND1 2.95Å; D1725-H1727 IonicContact OD2-CE1 3.4Å; D1725-H1727 IonicContact OD2-CG 3.95Å; D1725-H1727 IonicContact OD2-ND1 3.45Å; D1725-H1727 PolarHBondContact OD2-ND1 2.91Å; D1725-S1728 PolarHBondContact O-N 2.78Å | ||
| 1726 | T | 58.6 | Low | 81 | Confident | 88.4 Ų | 88.4 | 68.8 Ų | 68.8 | 54% | 0.542 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -113.7 | 112 | -176 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | H1724 S1728 D1729 | H1724-T1726 VanDerWaalsContact C-N 3.31Å; H1724-T1726 PolarHBondContact ND1-O 3.45Å; H1724-T1726 PolarHBondContact O-N 3.15Å; T1726-S1728 PolarHBondContact O-N 2.89Å; T1726-S1728 PolarHBondContact OG1-OG 3.35Å; T1726-S1728 VanDerWaalsContact OG1-OG 3.11Å; T1726-D1729 PolarHBondContact OG1-OD2 3.39Å |
| 1727 | H | 56.3 | Low | 81.7 | Confident | 177 Ų | 177 | 66.8 Ų | 66.8 | 82% | 0.819 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -0.1 | -176.6 | -83.2 | 68.8 | 0 | 0 | 0 | 114.5 | H1724 D1725 | H1724-H1727 AromaticContact CE1-CE1 3.65Å; H1724-H1727 AromaticContact CE1-CG 3.9Å; H1724-H1727 AromaticContact CE1-ND1 2.96Å; H1724-H1727 PolarHBondContact CE1-ND1 3.31Å; H1724-H1727 AromaticContact ND1-ND1 3.88Å; H1724-H1727 AromaticContact NE2-CE1 3.5Å; H1724-H1727 PolarHBondContact NE2-CE1 2.85Å; H1724-H1727 AromaticContact NE2-ND1 3.09Å; H1724-H1727 PolarHBondContact NE2-ND1 3.19Å; D1725-H1727 VanDerWaalsContact CG-ND1 3.26Å; D1725-H1727 PolarHBondContact O-N 3.07Å; D1725-H1727 VanDerWaalsContact O-N 3.16Å; D1725-H1727 IonicContact OD1-CE1 3.23Å; D1725-H1727 IonicContact OD1-CG 3.41Å; D1725-H1727 PolarHBondContact OD1-N 3.23Å; D1725-H1727 IonicContact OD1-ND1 3.56Å; D1725-H1727 PolarHBondContact OD1-ND1 2.95Å; D1725-H1727 IonicContact OD2-CE1 3.4Å; D1725-H1727 IonicContact OD2-CG 3.95Å; D1725-H1727 IonicContact OD2-ND1 3.45Å; D1725-H1727 PolarHBondContact OD2-ND1 2.91Å |
| 1728 | S | 61.8 | Low | 82.3 | Confident | 44.8 Ų | 44.8 | 59.9 Ų | 59.9 | 31% | 0.313 | 32% | 0.315 | S | S | . | . | trans | -123.3 | 109.7 | 179.7 | 50.9 | 0 | 0 | 0 | 0 | 111.8 | C1637 D1638 H1724 D1725 T1726 C1730 I1731 | C1637-S1728 VanDerWaalsContact CB-O 3.24Å; C1637-S1728 WeakPolarHBondContact CB-O 3.1Å; C1637-S1728 VanDerWaalsContact CB-OG 3.3Å; C1637-S1728 WeakPolarHBondContact CB-OG 3.34Å; C1637-S1728 PolarHBondContact SG-O 3.47Å; D1638-S1728 PolarHBondContact OD1-OG 3.47Å; H1724-S1728 PolarHBondContact CE1-O 2.83Å; H1724-S1728 VanDerWaalsContact CE1-O 3.29Å; H1724-S1728 PolarHBondContact ND1-O 3.14Å; D1725-S1728 PolarHBondContact O-N 2.78Å; T1726-S1728 PolarHBondContact O-N 2.89Å; T1726-S1728 PolarHBondContact OG1-OG 3.35Å; T1726-S1728 VanDerWaalsContact OG1-OG 3.11Å; S1728-C1730 PolarHBondContact O-N 2.99Å; S1728-C1730 VanDerWaalsContact O-N 3.16Å; S1728-I1731 WeakPolarHBondContact O-CD1 3.46Å | ||
| 1729 | D | 74.3 | Confident | 82.5 | Confident | 92.8 Ų | 92.8 | 54.3 Ų | 54.3 | 50% | 0.496 | 29% | 0.285 | S | S | . | . | trans | -75.2 | 125 | 175.8 | -66.4 | -32.2 | 0 | 0 | 0 | 110 | C1637 H1641 T1706 H1724 T1726 I1731 | C1637-D1729 HydrophobicContact CB-CB 4.15Å; H1641-D1729 PolarHBondContact CD2-O 3.43Å; H1641-D1729 PolarHBondContact NE2-O 3.47Å; T1706-D1729 HydrophobicContact CG2-CB 4.24Å; H1724-D1729 IonicContact CE1-OD1 3.28Å; T1726-D1729 PolarHBondContact OG1-OD2 3.39Å; D1729-I1731 HydrophobicContact CB-CD1 4.2Å; D1729-I1731 HydrophobicContact CB-CG1 4.13Å; D1729-I1731 VanDerWaalsContact O-CG1 3.29Å; D1729-I1731 WeakPolarHBondContact O-CG1 3.12Å; D1729-I1731 PolarHBondContact O-N 3.15Å | ||
| 1730 | C | 86.4 | Confident | 82.6 | Confident | 5.2 Ų | 5.2 | 49.6 Ų | 49.6 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | trans | -67.1 | 100.7 | 171.7 | -80.3 | 0 | 0 | 0 | 0 | 109.8 | I1635 C1637 T1640 T1706 I1707 S1728 | I1635-C1730 HydrophobicContact CD1-CB 4.14Å; I1635-C1730 WeakPolarHBondContact CD1-SG 3.18Å; I1635-C1730 VanDerWaalsContact CG2-SG 3.58Å; I1635-C1730 WeakPolarHBondContact CG2-SG 3.49Å; C1637-C1730 WeakPolarHBondContact CA-SG 3.31Å; C1637-C1730 HydrophobicContact CB-CB 4.16Å; C1637-C1730 WeakPolarHBondContact CB-SG 3.29Å; C1637-C1730 VanDerWaalsContact SG-CA 3.51Å; C1637-C1730 WeakPolarHBondContact SG-CA 3.35Å; C1637-C1730 WeakPolarHBondContact SG-CB 3.36Å; C1637-C1730 PolarHBondContact SG-N 3.08Å; C1637-C1730 CovalentContact SG-SG 2.04Å; C1637-C1730 PolarHBondContact SG-SG 3.12Å; T1640-C1730 HydrophobicContact CG2-CB 4.26Å; T1706-C1730 CarbonylContact C-O 3.45Å; T1706-C1730 WeakPolarHBondContact CA-O 3.4Å; I1707-C1730 HydrophobicContact CB-CB 4Å; I1707-C1730 WeakPolarHBondContact CB-O 3.2Å; I1707-C1730 HydrophobicContact CD1-CB 4.26Å; I1707-C1730 HydrophobicContact CG1-CB 4.41Å; I1707-C1730 WeakPolarHBondContact CG1-O 3.45Å; I1707-C1730 PolarHBondContact N-O 3.02Å; S1728-C1730 PolarHBondContact O-N 2.99Å; S1728-C1730 VanDerWaalsContact O-N 3.16Å | ||
| 1731 | I | 89.7 | Confident | 82.5 | Confident | 54.6 Ų | 54.6 | 48.7 Ų | 48.7 | 28% | 0.28 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.7 | -174.5 | -66.7 | 165.9 | 0 | 0 | 0 | 111.6 | H1641 G1642 D1704 V1705 S1728 D1729 | H1641-I1731 WeakPolarHBondContact CA-O 3.47Å; G1642-I1731 PolarHBondContact N-O 2.91Å; D1704-I1731 HydrophobicContact CB-CG2 3.66Å; D1704-I1731 VanDerWaalsContact CB-CG2 3.46Å; V1705-I1731 CarbonylContact O-C 3.59Å; V1705-I1731 VanDerWaalsContact O-CA 3.3Å; V1705-I1731 WeakPolarHBondContact O-CA 3.19Å; S1728-I1731 WeakPolarHBondContact O-CD1 3.46Å; D1729-I1731 HydrophobicContact CB-CD1 4.2Å; D1729-I1731 HydrophobicContact CB-CG1 4.13Å; D1729-I1731 VanDerWaalsContact O-CG1 3.29Å; D1729-I1731 WeakPolarHBondContact O-CG1 3.12Å; D1729-I1731 PolarHBondContact O-N 3.15Å |
| 1732 | Y | 90.8 | Very high | 82.6 | Confident | 1.2 Ų | 1.2 | 44.3 Ų | 44.3 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.2 | 162.3 | -176.4 | -88.5 | 0 | 0 | 0 | 110.4 | G1642 G1644 L1652 V1691 D1704 V1705 Y1734 | G1642-Y1732 VanDerWaalsContact C-CD2 3.45Å; G1642-Y1732 CarbonylContact O-C 3.49Å; G1642-Y1732 VanDerWaalsContact O-CA 3.31Å; G1642-Y1732 WeakPolarHBondContact O-CA 3.39Å; G1642-Y1732 WeakPolarHBondContact O-CD2 3.34Å; G1644-Y1732 VanDerWaalsContact CA-OH 3.29Å; G1644-Y1732 WeakPolarHBondContact CA-OH 3.31Å; G1644-Y1732 PolarHBondContact N-OH 3.05Å; L1652-Y1732 HydrophobicContact CB-CD2 4.41Å; L1652-Y1732 HydrophobicContact CB-CE2 4.47Å; L1652-Y1732 HydrophobicContact CD1-CD2 4.09Å; V1691-Y1732 HydrophobicContact CB-CE1 4.33Å; V1691-Y1732 HydrophobicContact CB-CE2 4.38Å; V1691-Y1732 HydrophobicContact CG1-CD1 4.16Å; V1691-Y1732 HydrophobicContact CG1-CE1 3.61Å; V1691-Y1732 HydrophobicContact CG1-CE2 4.36Å; V1691-Y1732 HydrophobicContact CG1-CG 4.46Å; V1691-Y1732 HydrophobicContact CG2-CD1 4.49Å; V1691-Y1732 HydrophobicContact CG2-CD2 4.23Å; V1691-Y1732 HydrophobicContact CG2-CE1 4.21Å; V1691-Y1732 HydrophobicContact CG2-CE2 3.73Å; D1704-Y1732 CarbonylContact C-O 3.39Å; D1704-Y1732 WeakPolarHBondContact CA-O 3.42Å; V1705-Y1732 HydrophobicContact CG2-CD1 4.33Å; V1705-Y1732 VanDerWaalsContact CG2-O 3.26Å; V1705-Y1732 WeakPolarHBondContact CG2-O 3.29Å; V1705-Y1732 PolarHBondContact N-O 3.08Å; V1705-Y1732 PolarHBondContact O-N 3.18Å; Y1732-Y1734 HydrophobicContact CD1-CD1 4.37Å; Y1732-Y1734 HydrophobicContact CD1-CD2 4.3Å; Y1732-Y1734 HydrophobicContact CD1-CE1 4.16Å; Y1732-Y1734 AromaticContact CD1-CE2 3.86Å; Y1732-Y1734 HydrophobicContact CD1-CE2 4.18Å; Y1732-Y1734 HydrophobicContact CD1-CG 4.4Å; Y1732-Y1734 AromaticContact CD1-CZ 3.92Å; Y1732-Y1734 AromaticContact CE1-CD1 3.81Å; Y1732-Y1734 HydrophobicContact CE1-CD1 4.16Å; Y1732-Y1734 HydrophobicContact CE1-CD2 4.4Å; Y1732-Y1734 AromaticContact CE1-CE1 3.68Å; Y1732-Y1734 HydrophobicContact CE1-CE1 4.1Å; Y1732-Y1734 HydrophobicContact CE1-CE2 4.36Å; Y1732-Y1734 HydrophobicContact CE1-CG 4.3Å; Y1732-Y1734 AromaticContact CE1-CZ 3.92Å |
| 1733 | S | 90.3 | Very high | 82.5 | Confident | 28.8 Ų | 28.8 | 48.7 Ų | 48.7 | 20% | 0.201 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117.1 | -179.5 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | G1642 K1643 G1644 I1703 D1704 D1735 | G1642-S1733 PolarHBondContact O-N 2.93Å; K1643-S1733 CarbonylContact C-O 3.54Å; K1643-S1733 VanDerWaalsContact CA-O 3.25Å; K1643-S1733 WeakPolarHBondContact CA-O 3.42Å; G1644-S1733 PolarHBondContact N-O 3.05Å; G1644-S1733 VanDerWaalsContact N-O 3.09Å; I1703-S1733 CarbonylContact O-C 3.55Å; I1703-S1733 WeakPolarHBondContact O-CA 3.16Å; D1704-S1733 WeakPolarHBondContact OD1-CA 3.46Å; D1704-S1733 VanDerWaalsContact OD1-CB 3.23Å; D1704-S1733 WeakPolarHBondContact OD1-CB 3.29Å; D1704-S1733 PolarHBondContact OD1-OG 2.92Å; S1733-D1735 PolarHBondContact O-N 2.95Å; S1733-D1735 VanDerWaalsContact O-N 3.13Å |
| 1734 | Y | 89.5 | Confident | 82.7 | Confident | 7 Ų | 7 | 47 Ų | 47 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 109.2 | 161.4 | -66 | -84.5 | 0 | 0 | 0 | 108.1 | S1645 L1671 V1691 P1692 P1694 N1702 I1703 V1705 Y1732 | S1645-Y1734 VanDerWaalsContact O-CD1 3.3Å; S1645-Y1734 WeakPolarHBondContact O-CD1 3.39Å; L1671-Y1734 HydrophobicContact CD1-CE2 4.35Å; L1671-Y1734 VanDerWaalsContact CD1-OH 3.26Å; L1671-Y1734 WeakPolarHBondContact CD1-OH 3.49Å; V1691-Y1734 HydrophobicContact CG1-CE1 3.76Å; V1691-Y1734 VanDerWaalsContact CG1-OH 3.28Å; V1691-Y1734 WeakPolarHBondContact CG1-OH 3.28Å; P1692-Y1734 WeakPolarHBondContact O-CE1 3.29Å; P1692-Y1734 PolarHBondContact O-OH 2.94Å; P1692-Y1734 VanDerWaalsContact O-OH 3.13Å; P1694-Y1734 HydrophobicContact CB-CD1 4.45Å; P1694-Y1734 HydrophobicContact CB-CD2 4.24Å; P1694-Y1734 HydrophobicContact CB-CE1 4.35Å; P1694-Y1734 HydrophobicContact CB-CE2 4.25Å; P1694-Y1734 HydrophobicContact CB-CG 4.5Å; P1694-Y1734 VanDerWaalsContact CD-CE1 3.44Å; P1694-Y1734 HydrophobicContact CG-CD1 3.95Å; P1694-Y1734 HydrophobicContact CG-CD2 4.32Å; P1694-Y1734 HydrophobicContact CG-CE1 3.96Å; P1694-Y1734 HydrophobicContact CG-CE2 4.27Å; P1694-Y1734 HydrophobicContact CG-CG 4.3Å; N1702-Y1734 CarbonylContact C-O 3.53Å; N1702-Y1734 VanDerWaalsContact CA-O 3.26Å; N1702-Y1734 WeakPolarHBondContact CA-O 3.31Å; N1702-Y1734 WeakPolarHBondContact CB-O 3.12Å; I1703-Y1734 HydrophobicContact CB-CD2 4.39Å; I1703-Y1734 PolarHBondContact N-O 3Å; I1703-Y1734 WeakPolarHBondContact O-CB 3.1Å; I1703-Y1734 WeakPolarHBondContact O-CD2 3.48Å; I1703-Y1734 PolarHBondContact O-N 3.21Å; V1705-Y1734 HydrophobicContact CB-CE2 4.37Å; V1705-Y1734 HydrophobicContact CG1-CD2 4.23Å; V1705-Y1734 HydrophobicContact CG1-CE2 3.91Å; V1705-Y1734 HydrophobicContact CG2-CD2 4.21Å; V1705-Y1734 HydrophobicContact CG2-CE2 3.66Å; Y1732-Y1734 HydrophobicContact CD1-CD1 4.37Å; Y1732-Y1734 HydrophobicContact CD1-CD2 4.3Å; Y1732-Y1734 HydrophobicContact CD1-CE1 4.16Å; Y1732-Y1734 AromaticContact CD1-CE2 3.86Å; Y1732-Y1734 HydrophobicContact CD1-CE2 4.18Å; Y1732-Y1734 HydrophobicContact CD1-CG 4.4Å; Y1732-Y1734 AromaticContact CD1-CZ 3.92Å; Y1732-Y1734 AromaticContact CE1-CD1 3.81Å; Y1732-Y1734 HydrophobicContact CE1-CD1 4.16Å; Y1732-Y1734 HydrophobicContact CE1-CD2 4.4Å; Y1732-Y1734 AromaticContact CE1-CE1 3.68Å; Y1732-Y1734 HydrophobicContact CE1-CE1 4.1Å; Y1732-Y1734 HydrophobicContact CE1-CE2 4.36Å; Y1732-Y1734 HydrophobicContact CE1-CG 4.3Å; Y1732-Y1734 AromaticContact CE1-CZ 3.92Å |
| 1735 | D | 89.4 | Confident | 83.2 | Confident | 18.4 Ų | 18.4 | 43.9 Ų | 43.9 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | trans | -128.6 | 125.8 | -168.3 | -174.7 | -20.4 | 0 | 0 | 0 | 112.3 | K1643 G1644 N1702 S1733 S1737 A1738 T1739 | K1643-D1735 HydrophobicContact CB-CB 4.38Å; K1643-D1735 HydrophobicContact CD-CB 4.05Å; K1643-D1735 VanDerWaalsContact CE-OD1 3.25Å; K1643-D1735 WeakPolarHBondContact CE-OD1 3.2Å; K1643-D1735 WeakPolarHBondContact CE-OD2 3.42Å; K1643-D1735 HydrophobicContact CG-CB 3.85Å; K1643-D1735 VanDerWaalsContact NZ-CG 3.32Å; K1643-D1735 IonicContact NZ-OD1 3.3Å; K1643-D1735 PolarHBondContact NZ-OD1 3.44Å; K1643-D1735 IonicContact NZ-OD2 3.24Å; K1643-D1735 PolarHBondContact NZ-OD2 3.34Å; G1644-D1735 PolarHBondContact O-N 3.02Å; N1702-D1735 VanDerWaalsContact CG-CG 3.47Å; N1702-D1735 VanDerWaalsContact ND2-CG 3.29Å; N1702-D1735 PolarHBondContact ND2-OD1 2.88Å; N1702-D1735 PolarHBondContact ND2-OD2 2.77Å; N1702-D1735 VanDerWaalsContact ND2-OD2 3.11Å; N1702-D1735 WeakPolarHBondContact OD1-CA 3.39Å; N1702-D1735 PolarHBondContact OD1-OD1 3.05Å; S1733-D1735 PolarHBondContact O-N 2.95Å; S1733-D1735 VanDerWaalsContact O-N 3.13Å; D1735-S1737 VanDerWaalsContact C-N 3.28Å; D1735-S1737 PolarHBondContact O-N 3.08Å; D1735-S1737 WeakPolarHBondContact OD1-CA 3.37Å; D1735-S1737 VanDerWaalsContact OD1-CB 3.3Å; D1735-S1737 WeakPolarHBondContact OD1-CB 3.15Å; D1735-S1737 PolarHBondContact OD1-N 2.87Å; D1735-S1737 PolarHBondContact OD1-OG 2.95Å; D1735-S1737 PolarHBondContact OD2-OG 3.01Å; D1735-A1738 HydrophobicContact CB-CB 4.04Å; D1735-A1738 CarbonylContact O-C 3.56Å; D1735-A1738 WeakPolarHBondContact O-CA 3.49Å; D1735-A1738 WeakPolarHBondContact O-CB 3.45Å; D1735-A1738 PolarHBondContact O-N 2.99Å; D1735-A1738 VanDerWaalsContact O-N 3.11Å; D1735-T1739 PolarHBondContact O-N 3.07Å; D1735-T1739 VanDerWaalsContact O-N 3.15Å; D1735-T1739 PolarHBondContact O-OG1 3.11Å | ||
| 1736 | L | 87.2 | Confident | 84.2 | Confident | 47.6 Ų | 47.6 | 43.9 Ų | 43.9 | 25% | 0.249 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -62.7 | -34.4 | 179.1 | -160.9 | 80.5 | 0 | 0 | 0 | 112.3 | I1646 E1700 N1702 A1738 T1739 I1741 N1763 K1824 | I1646-L1736 HydrophobicContact CD1-CD1 3.86Å; I1646-L1736 HydrophobicContact CD1-CD2 3.62Å; I1646-L1736 HydrophobicContact CG1-CD1 4.38Å; I1646-L1736 HydrophobicContact CG1-CD2 4.31Å; I1646-L1736 HydrophobicContact CG2-CB 4.44Å; I1646-L1736 HydrophobicContact CG2-CD2 4.33Å; I1646-L1736 HydrophobicContact CG2-CG 4.28Å; E1700-L1736 HydrophobicContact CB-CD2 4.34Å; N1702-L1736 PolarHBondContact OD1-N 3.02Å; L1736-A1738 VanDerWaalsContact C-N 3.3Å; L1736-A1738 PolarHBondContact O-N 3Å; L1736-T1739 VanDerWaalsContact O-CB 3.31Å; L1736-T1739 WeakPolarHBondContact O-CB 3.28Å; L1736-T1739 PolarHBondContact O-N 3.18Å; L1736-T1739 VanDerWaalsContact O-N 3.13Å; L1736-I1741 HydrophobicContact CD1-CD1 4.03Å; L1736-I1741 HydrophobicContact CG-CD1 4.44Å; L1736-N1763 PolarHBondContact O-ND2 3.5Å; L1736-K1824 HydrophobicContact CD1-CD 3.79Å |
| 1737 | S | 87.7 | Confident | 85.5 | Confident | 60.4 Ų | 60.4 | 42 Ų | 42 | 42% | 0.422 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -69.1 | -23.1 | 176.4 | 74.5 | 0 | 0 | 0 | 0 | 112.9 | K1643 D1735 T1739 N1763 | K1643-S1737 WeakPolarHBondContact CE-OG 3.44Å; K1643-S1737 PolarHBondContact NZ-OG 3.23Å; K1643-S1737 VanDerWaalsContact NZ-OG 3.1Å; D1735-S1737 VanDerWaalsContact C-N 3.28Å; D1735-S1737 PolarHBondContact O-N 3.08Å; D1735-S1737 WeakPolarHBondContact OD1-CA 3.37Å; D1735-S1737 VanDerWaalsContact OD1-CB 3.3Å; D1735-S1737 WeakPolarHBondContact OD1-CB 3.15Å; D1735-S1737 PolarHBondContact OD1-N 2.87Å; D1735-S1737 PolarHBondContact OD1-OG 2.95Å; D1735-S1737 PolarHBondContact OD2-OG 3.01Å; S1737-T1739 VanDerWaalsContact C-N 3.33Å; S1737-N1763 PolarHBondContact O-ND2 3.13Å; S1737-N1763 VanDerWaalsContact O-ND2 3.1Å |
| 1738 | A | 88.8 | Confident | 86.8 | Confident | 1.2 Ų | 1.2 | 38.8 Ų | 38.8 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -90.2 | -5.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1643 D1735 L1736 P1740 R1820 | K1643-A1738 HydrophobicContact CB-CB 4.22Å; K1643-A1738 HydrophobicContact CD-CB 4.16Å; K1643-A1738 HydrophobicContact CG-CB 4.17Å; D1735-A1738 HydrophobicContact CB-CB 4.04Å; D1735-A1738 CarbonylContact O-C 3.56Å; D1735-A1738 WeakPolarHBondContact O-CA 3.49Å; D1735-A1738 WeakPolarHBondContact O-CB 3.45Å; D1735-A1738 PolarHBondContact O-N 2.99Å; D1735-A1738 VanDerWaalsContact O-N 3.11Å; L1736-A1738 VanDerWaalsContact C-N 3.3Å; L1736-A1738 PolarHBondContact O-N 3Å; A1738-P1740 WeakPolarHBondContact O-CD 3.35Å; A1738-R1820 VanDerWaalsContact O-CD 3.3Å; A1738-R1820 WeakPolarHBondContact O-CD 3.28Å; A1738-R1820 PolarHBondContact O-NH1 2.96Å |
| 1739 | T | 90.1 | Very high | 87.8 | Confident | 0.4 Ų | 0.4 | 40.5 Ų | 40.5 | 0% | 0.002 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -85.4 | 120.6 | 179.5 | -57.3 | 0 | 0 | 0 | 0 | 110.3 | S1645 I1646 Y1647 D1735 L1736 S1737 I1741 N1763 K1824 | S1645-T1739 VanDerWaalsContact CA-OG1 3.25Å; S1645-T1739 WeakPolarHBondContact CA-OG1 3.13Å; S1645-T1739 WeakPolarHBondContact CB-OG1 3.3Å; S1645-T1739 WeakPolarHBondContact OG-CG2 3.27Å; S1645-T1739 PolarHBondContact OG-OG1 3.07Å; I1646-T1739 HydrophobicContact CG1-CG2 4.37Å; I1646-T1739 PolarHBondContact N-OG1 2.87Å; I1646-T1739 VanDerWaalsContact N-OG1 3.09Å; Y1647-T1739 HydrophobicContact CD2-CG2 4.15Å; Y1647-T1739 HydrophobicContact CE2-CG2 4.26Å; D1735-T1739 PolarHBondContact O-N 3.07Å; D1735-T1739 VanDerWaalsContact O-N 3.15Å; D1735-T1739 PolarHBondContact O-OG1 3.11Å; L1736-T1739 VanDerWaalsContact O-CB 3.31Å; L1736-T1739 WeakPolarHBondContact O-CB 3.28Å; L1736-T1739 PolarHBondContact O-N 3.18Å; L1736-T1739 VanDerWaalsContact O-N 3.13Å; S1737-T1739 VanDerWaalsContact C-N 3.33Å; T1739-I1741 WeakPolarHBondContact O-CG1 3.4Å; T1739-I1741 PolarHBondContact O-N 3.13Å; T1739-N1763 WeakPolarHBondContact O-CB 3.34Å; T1739-N1763 PolarHBondContact O-ND2 2.83Å; T1739-N1763 VanDerWaalsContact O-ND2 3.14Å; T1739-K1824 HydrophobicContact CG2-CB 3.87Å; T1739-K1824 VanDerWaalsContact CG2-N 3.35Å |
| 1740 | P | 91.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -63.8 | 136.5 | 170 | -15.5 | 28.5 | 0 | 0 | 0 | 110.5 | A1738 N1763 F1764 L1815 H1817 S1823 K1824 | A1738-P1740 WeakPolarHBondContact O-CD 3.35Å; P1740-N1763 WeakPolarHBondContact CA-O 3.29Å; P1740-F1764 HydrophobicContact CB-CD1 4.25Å; P1740-L1815 HydrophobicContact CB-CD2 4.03Å; P1740-L1815 HydrophobicContact CG-CD2 4.42Å; P1740-H1817 HydrophobicContact CG-CB 4.04Å; P1740-S1823 CarbonylContact O-C 3.51Å; P1740-S1823 VanDerWaalsContact O-CA 3.26Å; P1740-S1823 WeakPolarHBondContact O-CA 3.35Å; P1740-S1823 VanDerWaalsContact O-CB 3.28Å; P1740-S1823 WeakPolarHBondContact O-CB 3.4Å; P1740-K1824 PolarHBondContact O-N 2.99Å | ||
| 1741 | I | 90.5 | Very high | 87.6 | Confident | 23.8 Ų | 23.8 | 39.6 Ų | 39.6 | 12% | 0.122 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 120.9 | -176.4 | -51.7 | 177.6 | 0 | 0 | 0 | 109.3 | L1736 T1739 K1743 G1761 N1762 F1764 K1824 D1826 | L1736-I1741 HydrophobicContact CD1-CD1 4.03Å; L1736-I1741 HydrophobicContact CG-CD1 4.44Å; T1739-I1741 WeakPolarHBondContact O-CG1 3.4Å; T1739-I1741 PolarHBondContact O-N 3.13Å; I1741-K1743 HydrophobicContact CG2-CG 4.28Å; I1741-G1761 CarbonylContact O-C 3.41Å; I1741-G1761 WeakPolarHBondContact O-CA 3.34Å; I1741-N1762 HydrophobicContact CB-CB 4.37Å; I1741-N1762 PolarHBondContact N-O 3.12Å; I1741-N1762 PolarHBondContact O-N 3.16Å; I1741-F1764 VanDerWaalsContact O-CE1 3.27Å; I1741-F1764 WeakPolarHBondContact O-CE1 3.37Å; I1741-F1764 WeakPolarHBondContact O-CZ 3.44Å; I1741-K1824 CarbonylContact C-O 3.55Å; I1741-K1824 WeakPolarHBondContact CA-O 3.44Å; I1741-K1824 HydrophobicContact CB-CB 4.48Å; I1741-K1824 HydrophobicContact CG1-CB 4.3Å; I1741-K1824 HydrophobicContact CG1-CD 4.5Å; I1741-K1824 HydrophobicContact CG2-CB 4.35Å; I1741-K1824 HydrophobicContact CG2-CD 4.44Å; I1741-K1824 HydrophobicContact CG2-CG 4.47Å; I1741-D1826 HydrophobicContact CG2-CB 4.47Å; I1741-D1826 WeakPolarHBondContact CG2-OD2 3.18Å |
| 1742 | V | 91 | Very high | 86.7 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 121.7 | 176.1 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | I1745 I1759 F1764 F1813 L1815 K1824 Y1825 D1826 I1827 | V1742-I1745 HydrophobicContact CG1-CD1 4.31Å; V1742-I1745 HydrophobicContact CG1-CG1 4.16Å; V1742-I1759 HydrophobicContact CG1-CG2 3.9Å; V1742-I1759 HydrophobicContact CG2-CG2 4.23Å; V1742-F1764 HydrophobicContact CB-CE1 4.43Å; V1742-F1764 HydrophobicContact CG2-CE1 3.77Å; V1742-F1764 HydrophobicContact CG2-CZ 4.17Å; V1742-F1813 HydrophobicContact CB-CE1 4.5Å; V1742-F1813 HydrophobicContact CG1-CD1 4.4Å; V1742-F1813 HydrophobicContact CG1-CE1 4.01Å; V1742-F1813 HydrophobicContact CG2-CE1 3.98Å; V1742-L1815 HydrophobicContact CG2-CB 4.17Å; V1742-L1815 HydrophobicContact CG2-CD1 4.25Å; V1742-K1824 PolarHBondContact N-O 2.89Å; V1742-Y1825 HydrophobicContact CB-CD1 3.79Å; V1742-Y1825 HydrophobicContact CB-CE1 4.29Å; V1742-Y1825 HydrophobicContact CG1-CD1 4.3Å; V1742-Y1825 HydrophobicContact CG2-CD1 3.96Å; V1742-Y1825 HydrophobicContact CG2-CE1 3.95Å; V1742-D1826 PolarHBondContact O-N 3.06Å; V1742-I1827 HydrophobicContact CG1-CD1 3.78Å; V1742-I1827 HydrophobicContact CG1-CG1 4.2Å |
| 1743 | K | 89.5 | Confident | 85.8 | Confident | 100.8 Ų | 100.8 | 44 Ų | 44 | 44% | 0.438 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -28.4 | -176.1 | -74.1 | -176.4 | 169.8 | 172.2 | 0 | 115.1 | I1741 H1760 N1762 D1826 I1827 | I1741-K1743 HydrophobicContact CG2-CG 4.28Å; K1743-H1760 WeakPolarHBondContact CA-O 3.34Å; K1743-H1760 PolarHBondContact N-O 2.99Å; K1743-N1762 VanDerWaalsContact CD-OD1 3.24Å; K1743-N1762 WeakPolarHBondContact CD-OD1 3.25Å; K1743-N1762 VanDerWaalsContact CE-OD1 3.29Å; K1743-N1762 WeakPolarHBondContact CE-OD1 3.31Å; K1743-N1762 PolarHBondContact NZ-OD1 2.99Å; K1743-D1826 HydrophobicContact CG-CB 4.43Å; K1743-I1827 WeakPolarHBondContact O-CD1 3.33Å; K1743-I1827 WeakPolarHBondContact O-CG2 3.39Å |
| 1744 | N | 88.5 | Confident | 85.1 | Confident | 58.6 Ų | 58.6 | 46.7 Ų | 46.7 | 31% | 0.313 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 152.4 | 177.6 | -167 | 26.8 | 0 | 0 | 0 | 111.4 | E1746 I1759 H1760 | N1744-E1746 VanDerWaalsContact ND2-CG 3.26Å; N1744-E1746 WeakPolarHBondContact ND2-CG 3.39Å; N1744-E1746 PolarHBondContact ND2-OE1 3.17Å; N1744-E1746 VanDerWaalsContact ND2-OE1 3.09Å; N1744-I1759 CarbonylContact O-C 3.56Å; N1744-I1759 WeakPolarHBondContact O-CA 3.24Å; N1744-H1760 HydrophobicContact CB-CB 4.17Å; N1744-H1760 PolarHBondContact N-O 2.9Å; N1744-H1760 PolarHBondContact O-N 3.06Å |
| 1745 | I | 89 | Confident | 84.7 | Confident | 6.8 Ų | 6.8 | 47.5 Ų | 47.5 | 4% | 0.035 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 124.4 | 173.8 | -57.4 | 164.6 | 0 | 0 | 0 | 108.3 | V1742 P1747 N1748 F1757 I1758 I1759 F1813 I1827 I1831 | V1742-I1745 HydrophobicContact CG1-CD1 4.31Å; V1742-I1745 HydrophobicContact CG1-CG1 4.16Å; I1745-P1747 CarbonylContact O-C 3.56Å; I1745-N1748 PolarHBondContact O-N 3.25Å; I1745-N1748 PolarHBondContact O-OD1 2.76Å; I1745-F1757 HydrophobicContact CG2-CB 4.42Å; I1745-F1757 HydrophobicContact CG2-CD1 4.06Å; I1745-I1758 CarbonylContact C-O 3.57Å; I1745-I1758 WeakPolarHBondContact CA-O 3.37Å; I1745-I1759 HydrophobicContact CG1-CG1 4.23Å; I1745-I1759 HydrophobicContact CG1-CG2 4.35Å; I1745-I1759 HydrophobicContact CG2-CG1 4.34Å; I1745-F1813 HydrophobicContact CD1-CB 3.85Å; I1745-F1813 HydrophobicContact CD1-CD1 3.45Å; I1745-F1813 VanDerWaalsContact CD1-CD1 3.48Å; I1745-F1813 HydrophobicContact CD1-CD2 3.76Å; I1745-F1813 HydrophobicContact CD1-CE1 3.84Å; I1745-F1813 HydrophobicContact CD1-CE2 4.1Å; I1745-F1813 HydrophobicContact CD1-CG 3.4Å; I1745-F1813 VanDerWaalsContact CD1-CG 3.45Å; I1745-F1813 HydrophobicContact CD1-CZ 4.14Å; I1745-F1813 HydrophobicContact CG1-CE1 4.32Å; I1745-F1813 HydrophobicContact CG1-CZ 4.37Å; I1745-I1827 HydrophobicContact CB-CD1 4.2Å; I1745-I1827 HydrophobicContact CD1-CD1 3.69Å; I1745-I1827 HydrophobicContact CG1-CD1 3.71Å; I1745-I1831 HydrophobicContact CB-CD1 4.43Å; I1745-I1831 HydrophobicContact CD1-CD1 4.12Å; I1745-I1831 HydrophobicContact CG2-CD1 4.01Å |
| 1746 | E | 86.2 | Confident | 84.6 | Confident | 103.2 Ų | 103.2 | 49.9 Ų | 49.9 | 48% | 0.482 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.3 | 178 | -67.3 | -175.7 | -176.8 | 0 | 0 | 111.1 | N1744 F1757 I1758 | N1744-E1746 VanDerWaalsContact ND2-CG 3.26Å; N1744-E1746 WeakPolarHBondContact ND2-CG 3.39Å; N1744-E1746 PolarHBondContact ND2-OE1 3.17Å; N1744-E1746 VanDerWaalsContact ND2-OE1 3.09Å; E1746-F1757 CarbonylContact O-C 3.53Å; E1746-F1757 WeakPolarHBondContact O-CA 3.28Å; E1746-I1758 PolarHBondContact N-O 3.11Å; E1746-I1758 PolarHBondContact O-N 3.09Å |
| 1747 | P | 87.5 | Confident | 84.7 | Confident | 50.4 Ų | 50.4 | 47.6 Ų | 47.6 | 33% | 0.327 | 25% | 0.251 | S | S | . | . | cis | -78.1 | 167.2 | -6.3 | 33 | -34.1 | 0 | 0 | 0 | 113 | I1745 E1749 Q1755 T1756 F1757 | I1745-P1747 CarbonylContact O-C 3.56Å; P1747-E1749 VanDerWaalsContact C-N 3.28Å; P1747-E1749 PolarHBondContact O-N 3.17Å; P1747-Q1755 HydrophobicContact CG-CG 4.22Å; P1747-T1756 WeakPolarHBondContact CD-O 3.29Å; P1747-F1757 HydrophobicContact CG-CD1 4.4Å; P1747-F1757 HydrophobicContact CG-CE1 4.36Å; P1747-F1757 WeakPolarHBondContact O-CD1 3.4Å; P1747-F1757 VanDerWaalsContact O-CE1 3.28Å; P1747-F1757 WeakPolarHBondContact O-CE1 3.39Å | ||
| 1748 | N | 82.8 | Confident | 84.8 | Confident | 109 Ų | 109 | 48.1 Ų | 48.1 | 58% | 0.583 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -95.9 | 14.9 | -178.1 | 58.2 | -16.1 | 0 | 0 | 0 | 114.6 | I1745 I1831 K1832 | I1745-N1748 PolarHBondContact O-N 3.25Å; I1745-N1748 PolarHBondContact O-OD1 2.76Å; N1748-I1831 HydrophobicContact CB-CD1 4.49Å; N1748-I1831 WeakPolarHBondContact O-CA 3.39Å; N1748-I1831 WeakPolarHBondContact O-CG2 3.41Å; N1748-K1832 PolarHBondContact O-N 2.83Å; N1748-K1832 VanDerWaalsContact O-N 3.08Å |
| 1749 | E | 83.2 | Confident | 84.9 | Confident | 79.4 Ų | 79.4 | 48 Ų | 48 | 37% | 0.371 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 146.4 | 179.1 | -18.4 | -175.2 | 171.6 | 0 | 0 | 111.1 | P1747 I1751 Q1755 K1832 H1834 | P1747-E1749 VanDerWaalsContact C-N 3.28Å; P1747-E1749 PolarHBondContact O-N 3.17Å; E1749-I1751 HydrophobicContact CB-CG2 4.21Å; E1749-I1751 HydrophobicContact CG-CG2 3.83Å; E1749-I1751 PolarHBondContact O-N 2.92Å; E1749-Q1755 PolarHBondContact O-NE2 3.19Å; E1749-Q1755 PolarHBondContact O-OE1 3.04Å; E1749-K1832 CarbonylContact C-O 3.54Å; E1749-K1832 VanDerWaalsContact CA-O 3.23Å; E1749-K1832 WeakPolarHBondContact CA-O 3.36Å; E1749-K1832 HydrophobicContact CG-CB 4.28Å; E1749-H1834 IonicContact OE1-NE2 2.88Å; E1749-H1834 IonicContact OE2-CD2 3.06Å; E1749-H1834 IonicContact OE2-CE1 3.51Å; E1749-H1834 IonicContact OE2-NE2 2.98Å; E1749-H1834 PolarHBondContact OE2-NE2 2.89Å |
| 1750 | I | 81.4 | Confident | 84.9 | Confident | 0.8 Ų | 0.8 | 50.9 Ų | 50.9 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 116 | 175.4 | -51.5 | 177.7 | 0 | 0 | 0 | 108.4 | Q1755 F1757 F1778 L1799 P1803 V1811 I1831 K1832 N1833 H1834 N1858 | I1750-Q1755 VanDerWaalsContact CA-OE1 3.27Å; I1750-F1757 HydrophobicContact CD1-CZ 4.32Å; I1750-F1757 HydrophobicContact CG1-CE1 4.47Å; I1750-F1757 HydrophobicContact CG1-CZ 3.9Å; I1750-F1778 HydrophobicContact CD1-CD1 4.23Å; I1750-F1778 HydrophobicContact CD1-CE1 4.27Å; I1750-F1778 HydrophobicContact CD1-CG 4.44Å; I1750-L1799 HydrophobicContact CD1-CD2 4.22Å; I1750-L1799 HydrophobicContact CG1-CD2 4.42Å; I1750-L1799 HydrophobicContact CG2-CD2 4.34Å; I1750-P1803 HydrophobicContact CD1-CG 3.67Å; I1750-V1811 HydrophobicContact CD1-CG2 3.8Å; I1750-V1811 VanDerWaalsContact CD1-CG2 3.43Å; I1750-V1811 HydrophobicContact CG1-CG2 4.48Å; I1750-I1831 HydrophobicContact CD1-CG2 4.28Å; I1750-I1831 HydrophobicContact CG1-CG2 3.79Å; I1750-K1832 PolarHBondContact N-O 2.77Å; I1750-N1833 HydrophobicContact CB-CB 4.37Å; I1750-N1833 HydrophobicContact CD1-CB 4.42Å; I1750-N1833 HydrophobicContact CG1-CB 4.47Å; I1750-H1834 PolarHBondContact O-N 3.02Å; I1750-H1834 VanDerWaalsContact O-N 3.15Å; I1750-N1858 PolarHBondContact O-ND2 2.86Å; I1750-N1858 VanDerWaalsContact O-ND2 3.14Å |
| 1751 | I | 75.2 | Confident | 84.9 | Confident | 78.4 Ų | 78.4 | 51.2 Ų | 51.2 | 40% | 0.402 | 26% | 0.264 | S | S | . | . | trans | -115.2 | -25.3 | -179.2 | 43.3 | 168.5 | 0 | 0 | 0 | 112.3 | E1749 Q1755 I1836 N1858 | E1749-I1751 HydrophobicContact CB-CG2 4.21Å; E1749-I1751 HydrophobicContact CG-CG2 3.83Å; E1749-I1751 PolarHBondContact O-N 2.92Å; I1751-Q1755 VanDerWaalsContact N-OE1 3.12Å; I1751-I1836 HydrophobicContact CB-CD1 3.88Å; I1751-I1836 HydrophobicContact CG2-CD1 3.61Å; I1751-I1836 WeakPolarHBondContact O-CD1 3.23Å; I1751-N1858 WeakPolarHBondContact O-CB 3.1Å | ||
| 1752 | N | 71.4 | Confident | 84.8 | Confident | 77.4 Ų | 77.4 | 52.1 Ų | 52.1 | 41% | 0.414 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -148.5 | 160.6 | 179 | 45 | 22.4 | 0 | 0 | 0 | 111.7 | Q1755 | N1752-Q1755 WeakPolarHBondContact O-CB 3.22Å; N1752-Q1755 PolarHBondContact O-OE1 2.82Å; N1752-Q1755 WeakPolarHBondContact OD1-CB 3.27Å; N1752-Q1755 WeakPolarHBondContact OD1-CG 3.4Å; N1752-Q1755 PolarHBondContact OD1-N 3.22Å; N1752-Q1755 PolarHBondContact OD1-OE1 3.33Å |
| 1753 | I | 71 | Confident | 84.7 | Confident | 71 Ų | 71 | 54.2 Ų | 54.2 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 149.7 | 162 | 58.1 | 174 | 0 | 0 | 0 | 109.8 | Q1755 D1884 | I1753-Q1755 VanDerWaalsContact C-N 3.35Å; I1753-Q1755 PolarHBondContact O-N 3.21Å; I1753-D1884 VanDerWaalsContact CG2-OD1 3.28Å; I1753-D1884 WeakPolarHBondContact CG2-OD1 3.42Å |
| 1754 | N | 75.6 | Confident | 84.7 | Confident | 86.6 Ų | 86.6 | 49.4 Ų | 49.4 | 46% | 0.463 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 20.2 | -172.4 | -61.4 | -37.9 | 0 | 0 | 0 | 116.1 | T1756 Q1798 L1799 M1800 | N1754-T1756 PolarHBondContact O-N 3.32Å; N1754-Q1798 VanDerWaalsContact CB-NE2 3.3Å; N1754-Q1798 PolarHBondContact O-NE2 2.98Å; N1754-Q1798 PolarHBondContact OD1-NE2 2.91Å; N1754-Q1798 VanDerWaalsContact OD1-NE2 3.11Å; N1754-L1799 VanDerWaalsContact CA-O 3.27Å; N1754-L1799 WeakPolarHBondContact CA-O 3.38Å; N1754-L1799 PolarHBondContact N-O 3.01Å; N1754-L1799 VanDerWaalsContact N-O 3.12Å; N1754-M1800 WeakPolarHBondContact OD1-CE 3.42Å |
| 1755 | Q | 81.3 | Confident | 84.6 | Confident | 23.8 Ų | 23.8 | 47.5 Ų | 47.5 | 11% | 0.111 | 25% | 0.249 | C | C | . | . | trans | -71.5 | 136.1 | 173.5 | -162 | 167 | -10.2 | 0 | 0 | 111.2 | P1747 E1749 I1750 I1751 N1752 I1753 F1757 Q1798 L1799 | P1747-Q1755 HydrophobicContact CG-CG 4.22Å; E1749-Q1755 PolarHBondContact O-NE2 3.19Å; E1749-Q1755 PolarHBondContact O-OE1 3.04Å; I1750-Q1755 VanDerWaalsContact CA-OE1 3.27Å; I1751-Q1755 VanDerWaalsContact N-OE1 3.12Å; N1752-Q1755 WeakPolarHBondContact O-CB 3.22Å; N1752-Q1755 PolarHBondContact O-OE1 2.82Å; N1752-Q1755 WeakPolarHBondContact OD1-CB 3.27Å; N1752-Q1755 WeakPolarHBondContact OD1-CG 3.4Å; N1752-Q1755 PolarHBondContact OD1-N 3.22Å; N1752-Q1755 PolarHBondContact OD1-OE1 3.33Å; I1753-Q1755 VanDerWaalsContact C-N 3.35Å; I1753-Q1755 PolarHBondContact O-N 3.21Å; Q1755-F1757 HydrophobicContact CB-CE2 4.14Å; Q1755-F1757 HydrophobicContact CB-CZ 4.32Å; Q1755-F1757 HydrophobicContact CG-CE1 4.37Å; Q1755-F1757 HydrophobicContact CG-CE2 4.31Å; Q1755-F1757 HydrophobicContact CG-CZ 4.25Å; Q1755-Q1798 WeakPolarHBondContact O-CA 3.22Å; Q1755-Q1798 WeakPolarHBondContact O-CG 3.32Å; Q1755-L1799 PolarHBondContact O-N 3.22Å; Q1755-L1799 VanDerWaalsContact O-N 3.13Å | ||
| 1756 | T | 86.9 | Confident | 84.4 | Confident | 67.6 Ų | 67.6 | 49.4 Ų | 49.4 | 42% | 0.415 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 130.5 | 175.3 | -53.4 | 0 | 0 | 0 | 0 | 110.1 | P1747 N1754 S1796 C1797 Q1798 | P1747-T1756 WeakPolarHBondContact CD-O 3.29Å; N1754-T1756 PolarHBondContact O-N 3.32Å; T1756-S1796 WeakPolarHBondContact CG2-OG 3.2Å; T1756-C1797 CarbonylContact C-O 3.51Å; T1756-C1797 WeakPolarHBondContact CA-O 3.26Å; T1756-Q1798 HydrophobicContact CG2-CG 4.22Å; T1756-Q1798 VanDerWaalsContact OG1-CG 3.24Å; T1756-Q1798 WeakPolarHBondContact OG1-CG 3.27Å; T1756-Q1798 PolarHBondContact OG1-NE2 3.5Å |
| 1757 | F | 89.1 | Confident | 84 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 134.4 | 175.4 | -65.1 | -89.1 | 0 | 0 | 0 | 110.2 | I1745 E1746 P1747 I1750 Q1755 I1759 F1778 S1796 C1797 L1799 I1831 | I1745-F1757 HydrophobicContact CG2-CB 4.42Å; I1745-F1757 HydrophobicContact CG2-CD1 4.06Å; E1746-F1757 CarbonylContact O-C 3.53Å; E1746-F1757 WeakPolarHBondContact O-CA 3.28Å; P1747-F1757 HydrophobicContact CG-CD1 4.4Å; P1747-F1757 HydrophobicContact CG-CE1 4.36Å; P1747-F1757 WeakPolarHBondContact O-CD1 3.4Å; P1747-F1757 VanDerWaalsContact O-CE1 3.28Å; P1747-F1757 WeakPolarHBondContact O-CE1 3.39Å; I1750-F1757 HydrophobicContact CD1-CZ 4.32Å; I1750-F1757 HydrophobicContact CG1-CE1 4.47Å; I1750-F1757 HydrophobicContact CG1-CZ 3.9Å; Q1755-F1757 HydrophobicContact CB-CE2 4.14Å; Q1755-F1757 HydrophobicContact CB-CZ 4.32Å; Q1755-F1757 HydrophobicContact CG-CE1 4.37Å; Q1755-F1757 HydrophobicContact CG-CE2 4.31Å; Q1755-F1757 HydrophobicContact CG-CZ 4.25Å; F1757-I1759 HydrophobicContact CB-CD1 4.08Å; F1757-F1778 HydrophobicContact CB-CZ 4.42Å; F1757-F1778 HydrophobicContact CD1-CE1 4.26Å; F1757-F1778 AromaticContact CD1-CZ 3.91Å; F1757-F1778 HydrophobicContact CD1-CZ 3.91Å; F1757-F1778 AromaticContact CD2-CE2 3.85Å; F1757-F1778 HydrophobicContact CD2-CE2 3.94Å; F1757-F1778 AromaticContact CD2-CZ 3.78Å; F1757-F1778 HydrophobicContact CD2-CZ 3.9Å; F1757-F1778 HydrophobicContact CE1-CE1 4.31Å; F1757-F1778 AromaticContact CE1-CZ 3.99Å; F1757-F1778 HydrophobicContact CE1-CZ 4.1Å; F1757-F1778 AromaticContact CE2-CE2 3.94Å; F1757-F1778 HydrophobicContact CE2-CE2 4.04Å; F1757-F1778 AromaticContact CE2-CZ 3.82Å; F1757-F1778 HydrophobicContact CE2-CZ 4.1Å; F1757-F1778 HydrophobicContact CG-CE2 4.25Å; F1757-F1778 AromaticContact CG-CZ 3.82Å; F1757-F1778 HydrophobicContact CG-CZ 3.82Å; F1757-F1778 HydrophobicContact CZ-CE1 4.34Å; F1757-F1778 HydrophobicContact CZ-CE2 4.45Å; F1757-F1778 AromaticContact CZ-CZ 3.9Å; F1757-F1778 HydrophobicContact CZ-CZ 4.13Å; F1757-S1796 CarbonylContact O-C 3.53Å; F1757-S1796 VanDerWaalsContact O-CA 3.28Å; F1757-S1796 WeakPolarHBondContact O-CA 3.3Å; F1757-S1796 PolarHBondContact O-OG 3.12Å; F1757-C1797 PolarHBondContact N-O 3.12Å; F1757-C1797 PolarHBondContact O-N 3.21Å; F1757-L1799 HydrophobicContact CD2-CB 4.27Å; F1757-L1799 HydrophobicContact CE2-CB 4.02Å; F1757-L1799 HydrophobicContact CE2-CD2 3.95Å; F1757-I1831 HydrophobicContact CD1-CD1 4.4Å; F1757-I1831 HydrophobicContact CE1-CD1 4.13Å; F1757-I1831 HydrophobicContact CE1-CG2 4.42Å |
| 1758 | I | 89.9 | Confident | 83.6 | Confident | 70.8 Ų | 70.8 | 55 Ų | 55 | 36% | 0.363 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.2 | 172.2 | -55 | 176.3 | 0 | 0 | 0 | 107.6 | I1745 E1746 H1760 I1794 L1795 | I1745-I1758 CarbonylContact C-O 3.57Å; I1745-I1758 WeakPolarHBondContact CA-O 3.37Å; E1746-I1758 PolarHBondContact N-O 3.11Å; E1746-I1758 PolarHBondContact O-N 3.09Å; I1758-H1760 VanDerWaalsContact CG2-NE2 3.33Å; I1758-H1760 WeakPolarHBondContact CG2-NE2 3.45Å; I1758-I1794 HydrophobicContact CG2-CG2 3.93Å; I1758-L1795 CarbonylContact C-O 3.59Å |
| 1759 | I | 91.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 121.4 | -178.1 | -57.5 | 88.2 | 0 | 0 | 0 | 108.3 | V1742 N1744 I1745 F1757 F1764 I1776 I1794 L1795 C1797 F1813 L1815 | V1742-I1759 HydrophobicContact CG1-CG2 3.9Å; V1742-I1759 HydrophobicContact CG2-CG2 4.23Å; N1744-I1759 CarbonylContact O-C 3.56Å; N1744-I1759 WeakPolarHBondContact O-CA 3.24Å; I1745-I1759 HydrophobicContact CG1-CG1 4.23Å; I1745-I1759 HydrophobicContact CG1-CG2 4.35Å; I1745-I1759 HydrophobicContact CG2-CG1 4.34Å; F1757-I1759 HydrophobicContact CB-CD1 4.08Å; I1759-F1764 HydrophobicContact CG2-CE1 4.4Å; I1759-F1764 HydrophobicContact CG2-CE2 4.21Å; I1759-F1764 HydrophobicContact CG2-CZ 3.78Å; I1759-F1764 WeakPolarHBondContact O-CE2 3.4Å; I1759-I1776 HydrophobicContact CD1-CD1 4.28Å; I1759-I1794 CarbonylContact O-C 3.58Å; I1759-I1794 VanDerWaalsContact O-CA 3.3Å; I1759-I1794 WeakPolarHBondContact O-CA 3.3Å; I1759-L1795 HydrophobicContact CB-CB 4.34Å; I1759-L1795 HydrophobicContact CB-CD1 3.58Å; I1759-L1795 VanDerWaalsContact CB-CD1 3.49Å; I1759-L1795 HydrophobicContact CB-CD2 4.48Å; I1759-L1795 HydrophobicContact CB-CG 3.86Å; I1759-L1795 HydrophobicContact CD1-CB 4.4Å; I1759-L1795 HydrophobicContact CD1-CD1 3.47Å; I1759-L1795 HydrophobicContact CG1-CD1 3.86Å; I1759-L1795 HydrophobicContact CG1-CG 4.47Å; I1759-L1795 HydrophobicContact CG2-CD1 4.37Å; I1759-L1795 HydrophobicContact CG2-CG 4.33Å; I1759-L1795 PolarHBondContact N-O 2.93Å; I1759-L1795 PolarHBondContact O-N 3.03Å; I1759-C1797 HydrophobicContact CD1-CB 4.44Å; I1759-F1813 HydrophobicContact CD1-CE2 4.42Å; I1759-F1813 HydrophobicContact CD1-CZ 4.47Å; I1759-F1813 HydrophobicContact CG1-CE2 3.96Å; I1759-F1813 HydrophobicContact CG1-CZ 3.88Å; I1759-F1813 HydrophobicContact CG2-CZ 4.12Å; I1759-L1815 HydrophobicContact CG2-CD1 4.3Å |
| 1760 | H | 90.2 | Very high | 83.5 | Confident | 59.8 Ų | 59.8 | 52.1 Ų | 52.1 | 28% | 0.277 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 145 | 175.5 | -62.3 | -92.6 | 0 | 0 | 0 | 110.4 | K1743 N1744 I1758 D1793 | K1743-H1760 WeakPolarHBondContact CA-O 3.34Å; K1743-H1760 PolarHBondContact N-O 2.99Å; N1744-H1760 HydrophobicContact CB-CB 4.17Å; N1744-H1760 PolarHBondContact N-O 2.9Å; N1744-H1760 PolarHBondContact O-N 3.06Å; I1758-H1760 VanDerWaalsContact CG2-NE2 3.33Å; I1758-H1760 WeakPolarHBondContact CG2-NE2 3.45Å; H1760-D1793 CarbonylContact C-O 3.51Å; H1760-D1793 WeakPolarHBondContact CA-O 3.29Å |
| 1761 | G | 91.2 | Very high | 83.6 | Confident | 6 Ų | 6 | 56 Ų | 56 | 6% | 0.062 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -180 | -154.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I1741 F1764 D1793 | I1741-G1761 CarbonylContact O-C 3.41Å; I1741-G1761 WeakPolarHBondContact O-CA 3.34Å; G1761-F1764 VanDerWaalsContact CA-CZ 3.43Å; G1761-D1793 CarbonylContact C-O 3.54Å; G1761-D1793 PolarHBondContact N-O 3.1Å; G1761-D1793 CarbonylContact O-C 3.59Å; G1761-D1793 VanDerWaalsContact O-CA 3.28Å; G1761-D1793 WeakPolarHBondContact O-CA 3.3Å; G1761-D1793 VanDerWaalsContact O-CB 3.24Å; G1761-D1793 WeakPolarHBondContact O-CB 3.33Å; G1761-D1793 VanDerWaalsContact O-O 3.1Å |
| 1762 | N | 89.4 | Confident | 84.1 | Confident | 44.4 Ų | 44.4 | 55.8 Ų | 55.8 | 24% | 0.237 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 155 | 176.2 | -72 | 91.4 | 0 | 0 | 0 | 110.4 | I1741 K1743 F1764 M1792 D1793 | I1741-N1762 HydrophobicContact CB-CB 4.37Å; I1741-N1762 PolarHBondContact N-O 3.12Å; I1741-N1762 PolarHBondContact O-N 3.16Å; K1743-N1762 VanDerWaalsContact CD-OD1 3.24Å; K1743-N1762 WeakPolarHBondContact CD-OD1 3.25Å; K1743-N1762 VanDerWaalsContact CE-OD1 3.29Å; K1743-N1762 WeakPolarHBondContact CE-OD1 3.31Å; K1743-N1762 PolarHBondContact NZ-OD1 2.99Å; N1762-F1764 PolarHBondContact O-N 2.99Å; N1762-F1764 VanDerWaalsContact O-N 3.14Å; N1762-M1792 CarbonylContact C-O 3.6Å; N1762-D1793 VanDerWaalsContact CA-OD1 3.3Å; N1762-D1793 WeakPolarHBondContact CA-OD1 3.37Å; N1762-D1793 PolarHBondContact ND2-OD1 3.15Å |
| 1763 | N | 88.8 | Confident | 84.8 | Confident | 43.2 Ų | 43.2 | 53.4 Ų | 53.4 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | trans | 56.4 | 29.5 | 175.3 | -53.9 | -27.3 | 0 | 0 | 0 | 113.6 | L1736 S1737 T1739 P1740 L1765 L1766 M1792 R1820 | L1736-N1763 PolarHBondContact O-ND2 3.5Å; S1737-N1763 PolarHBondContact O-ND2 3.13Å; S1737-N1763 VanDerWaalsContact O-ND2 3.1Å; T1739-N1763 WeakPolarHBondContact O-CB 3.34Å; T1739-N1763 PolarHBondContact O-ND2 2.83Å; T1739-N1763 VanDerWaalsContact O-ND2 3.14Å; P1740-N1763 WeakPolarHBondContact CA-O 3.29Å; N1763-L1765 VanDerWaalsContact C-N 3.32Å; N1763-L1765 PolarHBondContact O-N 2.8Å; N1763-L1766 HydrophobicContact CB-CD2 4.37Å; N1763-M1792 PolarHBondContact N-O 2.85Å; N1763-M1792 VanDerWaalsContact N-O 3.13Å; N1763-R1820 VanDerWaalsContact O-CZ 3.31Å; N1763-R1820 PolarHBondContact O-NH1 2.99Å; N1763-R1820 PolarHBondContact O-NH2 2.99Å | ||
| 1764 | F | 89.2 | Confident | 85.7 | Confident | 0.2 Ų | 0.2 | 50.5 Ų | 50.5 | 0% | 0.001 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -65.3 | -41.4 | 175.2 | -66.8 | -35.7 | 0 | 0 | 0 | 111 | P1740 I1741 V1742 I1759 G1761 N1762 L1774 M1792 D1793 L1795 L1815 H1817 R1820 | P1740-F1764 HydrophobicContact CB-CD1 4.25Å; I1741-F1764 VanDerWaalsContact O-CE1 3.27Å; I1741-F1764 WeakPolarHBondContact O-CE1 3.37Å; I1741-F1764 WeakPolarHBondContact O-CZ 3.44Å; V1742-F1764 HydrophobicContact CB-CE1 4.43Å; V1742-F1764 HydrophobicContact CG2-CE1 3.77Å; V1742-F1764 HydrophobicContact CG2-CZ 4.17Å; I1759-F1764 HydrophobicContact CG2-CE1 4.4Å; I1759-F1764 HydrophobicContact CG2-CE2 4.21Å; I1759-F1764 HydrophobicContact CG2-CZ 3.78Å; I1759-F1764 WeakPolarHBondContact O-CE2 3.4Å; G1761-F1764 VanDerWaalsContact CA-CZ 3.43Å; N1762-F1764 PolarHBondContact O-N 2.99Å; N1762-F1764 VanDerWaalsContact O-N 3.14Å; F1764-L1774 HydrophobicContact CB-CD1 4.4Å; F1764-L1774 WeakPolarHBondContact O-CD2 3.47Å; F1764-M1792 PolarHBondContact N-O 3.08Å; F1764-M1792 VanDerWaalsContact N-O 3.12Å; F1764-D1793 WeakPolarHBondContact CE2-O 3.41Å; F1764-L1795 HydrophobicContact CB-CD1 3.95Å; F1764-L1795 HydrophobicContact CB-CD2 4.21Å; F1764-L1795 HydrophobicContact CB-CG 4.25Å; F1764-L1795 HydrophobicContact CD1-CD1 4.06Å; F1764-L1795 HydrophobicContact CD1-CD2 4.15Å; F1764-L1795 HydrophobicContact CD2-CD1 3.56Å; F1764-L1795 VanDerWaalsContact CD2-CD1 3.44Å; F1764-L1795 HydrophobicContact CD2-CD2 3.76Å; F1764-L1795 VanDerWaalsContact CD2-CD2 3.47Å; F1764-L1795 HydrophobicContact CD2-CG 3.94Å; F1764-L1795 HydrophobicContact CE1-CD1 4.43Å; F1764-L1795 HydrophobicContact CE1-CD2 4.42Å; F1764-L1795 HydrophobicContact CE2-CD1 3.94Å; F1764-L1795 HydrophobicContact CE2-CD2 3.86Å; F1764-L1795 HydrophobicContact CE2-CG 4.18Å; F1764-L1795 HydrophobicContact CG-CD1 3.6Å; F1764-L1795 VanDerWaalsContact CG-CD1 3.45Å; F1764-L1795 HydrophobicContact CG-CD2 3.7Å; F1764-L1795 HydrophobicContact CG-CG 4.07Å; F1764-L1795 HydrophobicContact CZ-CD1 4.35Å; F1764-L1795 HydrophobicContact CZ-CD2 4.31Å; F1764-L1815 HydrophobicContact CD1-CD1 4.05Å; F1764-L1815 HydrophobicContact CD1-CD2 4.32Å; F1764-L1815 HydrophobicContact CE1-CD1 3.91Å; F1764-L1815 HydrophobicContact CE1-CD2 4.39Å; F1764-L1815 HydrophobicContact CZ-CD1 4.46Å; F1764-H1817 PolarHBondContact O-CD2 2.84Å; F1764-R1820 PolarHBondContact O-NH2 3.25Å; F1764-R1820 VanDerWaalsContact O-NH2 3.12Å |
| 1765 | L | 85.3 | Confident | 86.4 | Confident | 17.8 Ų | 17.8 | 49.6 Ų | 49.6 | 9% | 0.093 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -135.2 | 135 | 171 | -70.9 | 168.7 | 0 | 0 | 0 | 109.9 | N1763 E1769 N1770 L1774 V1790 M1792 | N1763-L1765 VanDerWaalsContact C-N 3.32Å; N1763-L1765 PolarHBondContact O-N 2.8Å; L1765-E1769 HydrophobicContact CB-CB 4.4Å; L1765-E1769 HydrophobicContact CD2-CB 3.81Å; L1765-E1769 VanDerWaalsContact CD2-CB 3.47Å; L1765-N1770 WeakPolarHBondContact CD2-O 3.38Å; L1765-L1774 HydrophobicContact CD1-CD1 4.18Å; L1765-L1774 HydrophobicContact CD2-CD1 3.89Å; L1765-L1774 HydrophobicContact CD2-CG 4.07Å; L1765-L1774 HydrophobicContact CG-CD1 3.78Å; L1765-L1774 HydrophobicContact CG-CG 4.36Å; L1765-V1790 HydrophobicContact CD1-CB 4.36Å; L1765-V1790 HydrophobicContact CD1-CG1 3.31Å; L1765-V1790 HydrophobicContact CG-CG1 4.31Å; L1765-M1792 WeakPolarHBondContact O-CA 3.33Å; L1765-M1792 WeakPolarHBondContact O-CB 3.25Å; L1765-M1792 VanDerWaalsContact O-CG 3.29Å; L1765-M1792 WeakPolarHBondContact O-CG 3.37Å |
| 1766 | L | 84.7 | Confident | 86.9 | Confident | 46.6 Ų | 46.6 | 48.7 Ų | 48.7 | 24% | 0.244 | 26% | 0.26 | C | S | . | . | trans | -87 | 162.5 | 168.2 | -59.9 | 176.6 | 0 | 0 | 0 | 110.1 | N1763 N1768 E1769 | N1763-L1766 HydrophobicContact CB-CD2 4.37Å; L1766-N1768 PolarHBondContact O-N 3.13Å; L1766-E1769 HydrophobicContact CB-CG 4.11Å; L1766-E1769 PolarHBondContact N-OE2 3.17Å; L1766-E1769 WeakPolarHBondContact O-CB 3.5Å; L1766-E1769 PolarHBondContact O-N 2.83Å | ||
| 1767 | P | 79.1 | Confident | 86.9 | Confident | 105.6 Ų | 105.6 | 48.8 Ų | 48.8 | 69% | 0.686 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -12.5 | -172.5 | -28.7 | 35.3 | 0 | 0 | 0 | 116.1 | M1792 | P1767-M1792 HydrophobicContact CG-CE 4.32Å; P1767-M1792 HydrophobicContact CG-SD 4.04Å |
| 1768 | N | 78 | Confident | 86.8 | Confident | 167.2 Ų | 167.2 | 48.8 Ų | 48.8 | 89% | 0.894 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | 11.2 | -177.4 | -57.9 | -22.6 | 0 | 0 | 0 | 113.8 | L1766 | L1766-N1768 PolarHBondContact O-N 3.13Š|
| 1769 | E | 83.1 | Confident | 86.4 | Confident | 46.6 Ų | 46.6 | 47 Ų | 47 | 22% | 0.218 | 25% | 0.245 | C | C | . | . | trans | -95.2 | 147.6 | 178.8 | -67.9 | -176.9 | 149.6 | 0 | 0 | 111.9 | L1765 L1766 H1817 R1820 | L1765-E1769 HydrophobicContact CB-CB 4.4Å; L1765-E1769 HydrophobicContact CD2-CB 3.81Å; L1765-E1769 VanDerWaalsContact CD2-CB 3.47Å; L1766-E1769 HydrophobicContact CB-CG 4.11Å; L1766-E1769 PolarHBondContact N-OE2 3.17Å; L1766-E1769 WeakPolarHBondContact O-CB 3.5Å; L1766-E1769 PolarHBondContact O-N 2.83Å; E1769-H1817 VanDerWaalsContact CD-NE2 3.33Å; E1769-H1817 IonicContact OE1-CE1 3.37Å; E1769-H1817 PolarHBondContact OE1-CE1 3.3Å; E1769-H1817 IonicContact OE1-NE2 3.53Å; E1769-H1817 PolarHBondContact OE1-NE2 2.73Å; E1769-H1817 IonicContact OE2-CD2 3.54Å; E1769-H1817 IonicContact OE2-CE1 2.81Å; E1769-H1817 IonicContact OE2-NE2 3.08Å; E1769-H1817 PolarHBondContact OE2-NE2 3.05Å; E1769-H1817 VanDerWaalsContact OE2-NE2 3.14Å; E1769-R1820 VanDerWaalsContact CD-NE 3.31Å; E1769-R1820 WeakPolarHBondContact OE1-CD 3.31Å; E1769-R1820 WeakPolarHBondContact OE1-CG 3.26Å; E1769-R1820 IonicContact OE1-CZ 2.94Å; E1769-R1820 IonicContact OE1-NE 3.26Å; E1769-R1820 PolarHBondContact OE1-NE 3.13Å; E1769-R1820 IonicContact OE1-NH2 3.44Å; E1769-R1820 IonicContact OE2-CZ 3.02Å; E1769-R1820 VanDerWaalsContact OE2-CZ 3.3Å; E1769-R1820 IonicContact OE2-NE 3.62Å; E1769-R1820 PolarHBondContact OE2-NE 3.07Å; E1769-R1820 VanDerWaalsContact OE2-NE 3.13Å; E1769-R1820 IonicContact OE2-NH2 3.03Å; E1769-R1820 PolarHBondContact OE2-NH2 3.06Å | ||
| 1770 | N | 81.8 | Confident | 85.8 | Confident | 80.6 Ų | 80.6 | 53.7 Ų | 53.7 | 43% | 0.431 | 28% | 0.281 | S | S | . | . | trans | -97.2 | 141.7 | 175.3 | -166.7 | -11.6 | 0 | 0 | 0 | 110.1 | L1765 T1772 N1773 | L1765-N1770 WeakPolarHBondContact CD2-O 3.38Å; N1770-T1772 WeakPolarHBondContact CB-OG1 3.44Å; N1770-T1772 VanDerWaalsContact CG-OG1 3.29Å; N1770-T1772 PolarHBondContact ND2-OG1 3.05Å; N1770-T1772 PolarHBondContact O-N 3.04Å; N1770-T1772 VanDerWaalsContact O-N 3.09Å; N1770-T1772 PolarHBondContact OD1-N 2.97Å; N1770-N1773 WeakPolarHBondContact O-CB 3.34Å; N1770-N1773 PolarHBondContact O-N 3Å; N1770-N1773 VanDerWaalsContact O-N 3.14Å | ||
| 1771 | Y | 84 | Confident | 85.5 | Confident | 82.4 Ų | 82.4 | 51.4 Ų | 51.4 | 32% | 0.323 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -59.1 | -21.4 | 176.7 | 73.3 | -90.7 | 0 | 0 | 0 | 112.9 | N1773 L1774 I1787 | Y1771-N1773 PolarHBondContact O-N 3.22Å; Y1771-N1773 VanDerWaalsContact O-N 3.13Å; Y1771-L1774 WeakPolarHBondContact O-CB 3.36Å; Y1771-L1774 PolarHBondContact O-N 2.98Å; Y1771-I1787 HydrophobicContact CD1-CG2 4.27Å; Y1771-I1787 HydrophobicContact CD2-CG1 4.37Å; Y1771-I1787 HydrophobicContact CE1-CD1 4.43Å; Y1771-I1787 HydrophobicContact CE1-CG1 4.31Å; Y1771-I1787 HydrophobicContact CE1-CG2 3.96Å; Y1771-I1787 HydrophobicContact CE2-CD1 4.11Å; Y1771-I1787 HydrophobicContact CE2-CG1 3.96Å; Y1771-I1787 HydrophobicContact CE2-CG2 4.2Å; Y1771-I1787 VanDerWaalsContact OH-CD1 3.27Å; Y1771-I1787 WeakPolarHBondContact OH-CD1 3.37Å |
| 1772 | T | 85.1 | Confident | 85.3 | Confident | 74.4 Ų | 74.4 | 54.3 Ų | 54.3 | 46% | 0.456 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -58.4 | -22 | 175.7 | 54.2 | 0 | 0 | 0 | 0 | 113.3 | N1770 L1774 | N1770-T1772 WeakPolarHBondContact CB-OG1 3.44Å; N1770-T1772 VanDerWaalsContact CG-OG1 3.29Å; N1770-T1772 PolarHBondContact ND2-OG1 3.05Å; N1770-T1772 PolarHBondContact O-N 3.04Å; N1770-T1772 VanDerWaalsContact O-N 3.09Å; N1770-T1772 PolarHBondContact OD1-N 2.97Å; T1772-L1774 VanDerWaalsContact C-N 3.27Å; T1772-L1774 PolarHBondContact O-N 3.14Å |
| 1773 | N | 86.9 | Confident | 85.2 | Confident | 27.6 Ų | 27.6 | 52.5 Ų | 52.5 | 15% | 0.148 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -83 | -7.4 | 178.9 | -59.1 | -0.3 | 0 | 0 | 0 | 112.1 | N1770 Y1771 H1817 E1818 I1819 | N1770-N1773 WeakPolarHBondContact O-CB 3.34Å; N1770-N1773 PolarHBondContact O-N 3Å; N1770-N1773 VanDerWaalsContact O-N 3.14Å; Y1771-N1773 PolarHBondContact O-N 3.22Å; Y1771-N1773 VanDerWaalsContact O-N 3.13Å; N1773-H1817 VanDerWaalsContact CB-CE1 3.49Å; N1773-H1817 WeakPolarHBondContact CB-CE1 3.41Å; N1773-H1817 CarbonylContact O-C 3.52Å; N1773-H1817 VanDerWaalsContact O-CA 3.3Å; N1773-H1817 WeakPolarHBondContact O-CA 3.46Å; N1773-E1818 HydrophobicContact CB-CB 4.27Å; N1773-E1818 PolarHBondContact O-N 2.93Å; N1773-I1819 VanDerWaalsContact ND2-CD1 3.32Å; N1773-I1819 WeakPolarHBondContact ND2-CD1 3.33Å |
| 1774 | L | 89.8 | Confident | 85.2 | Confident | 9.6 Ų | 9.6 | 55 Ų | 55 | 5% | 0.05 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 133 | 177.4 | -73 | 173.7 | 0 | 0 | 0 | 110.9 | F1764 L1765 Y1771 T1772 I1785 V1790 L1795 L1815 H1817 | F1764-L1774 HydrophobicContact CB-CD1 4.4Å; F1764-L1774 WeakPolarHBondContact O-CD2 3.47Å; L1765-L1774 HydrophobicContact CD1-CD1 4.18Å; L1765-L1774 HydrophobicContact CD2-CD1 3.89Å; L1765-L1774 HydrophobicContact CD2-CG 4.07Å; L1765-L1774 HydrophobicContact CG-CD1 3.78Å; L1765-L1774 HydrophobicContact CG-CG 4.36Å; Y1771-L1774 WeakPolarHBondContact O-CB 3.36Å; Y1771-L1774 PolarHBondContact O-N 2.98Å; T1772-L1774 VanDerWaalsContact C-N 3.27Å; T1772-L1774 PolarHBondContact O-N 3.14Å; L1774-I1785 HydrophobicContact CB-CD1 3.72Å; L1774-I1785 HydrophobicContact CD1-CD1 4.37Å; L1774-I1785 WeakPolarHBondContact O-CD1 3.48Å; L1774-V1790 HydrophobicContact CD1-CG1 4.41Å; L1774-L1795 HydrophobicContact CD1-CD1 4.09Å; L1774-L1795 HydrophobicContact CD1-CD2 3.98Å; L1774-L1815 HydrophobicContact CD2-CD2 4.03Å; L1774-H1817 HydrophobicContact CD2-CB 4.1Å |
| 1775 | Q | 89.7 | Confident | 85.1 | Confident | 67.8 Ų | 67.8 | 56.1 Ų | 56.1 | 32% | 0.317 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 131.6 | 173.6 | -57.2 | -175.1 | -11.4 | 0 | 0 | 110.2 | Y1777 L1815 F1816 | Q1775-Y1777 HydrophobicContact CB-CD2 4.32Å; Q1775-Y1777 HydrophobicContact CB-CE2 3.51Å; Q1775-Y1777 VanDerWaalsContact CB-CE2 3.41Å; Q1775-Y1777 HydrophobicContact CG-CE2 4.47Å; Q1775-Y1777 PolarHBondContact OE1-OH 3.1Å; Q1775-L1815 WeakPolarHBondContact O-CA 3.37Å; Q1775-F1816 HydrophobicContact CB-CE1 3.99Å; Q1775-F1816 HydrophobicContact CB-CE2 4.39Å; Q1775-F1816 HydrophobicContact CB-CZ 3.9Å; Q1775-F1816 HydrophobicContact CG-CZ 4.28Å; Q1775-F1816 PolarHBondContact N-O 2.95Å; Q1775-F1816 PolarHBondContact O-N 2.89Å; Q1775-F1816 VanDerWaalsContact O-N 3.13Å; Q1775-F1816 VanDerWaalsContact OE1-CZ 3.28Å |
| 1776 | I | 90.8 | Very high | 85 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 2% | 0.021 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 128.9 | -178.3 | -55.7 | 176.7 | 0 | 0 | 0 | 108.6 | I1759 F1778 C1783 I1785 L1795 C1797 F1813 K1814 L1815 | I1759-I1776 HydrophobicContact CD1-CD1 4.28Å; I1776-F1778 HydrophobicContact CG2-CE2 4.33Å; I1776-C1783 HydrophobicContact CB-CB 4.09Å; I1776-C1783 HydrophobicContact CG2-CB 3.79Å; I1776-C1783 PolarHBondContact O-N 3.15Å; I1776-I1785 HydrophobicContact CD1-CD1 4.06Å; I1776-I1785 HydrophobicContact CD1-CG1 3.77Å; I1776-I1785 HydrophobicContact CG1-CD1 4.27Å; I1776-I1785 HydrophobicContact CG1-CG1 4.3Å; I1776-L1795 HydrophobicContact CD1-CB 4.33Å; I1776-L1795 HydrophobicContact CD1-CD1 3.63Å; I1776-L1795 HydrophobicContact CD1-CD2 4.29Å; I1776-L1795 HydrophobicContact CD1-CG 4.41Å; I1776-C1797 HydrophobicContact CD1-CB 4.11Å; I1776-F1813 HydrophobicContact CG2-CD2 4.19Å; I1776-F1813 HydrophobicContact CG2-CE2 3.36Å; I1776-F1813 HydrophobicContact CG2-CZ 3.9Å; I1776-K1814 CarbonylContact C-O 3.56Å; I1776-K1814 WeakPolarHBondContact CA-O 3.28Å; I1776-L1815 HydrophobicContact CD1-CD1 4.17Å; I1776-L1815 HydrophobicContact CG1-CD1 4.22Å; I1776-L1815 HydrophobicContact CG1-CG 4.31Å |
| 1777 | Y | 88.6 | Confident | 84.5 | Confident | 69.4 Ų | 69.4 | 61.5 Ų | 61.5 | 27% | 0.272 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 143.1 | 179.9 | -60.4 | -87 | 0 | 0 | 0 | 111.4 | Q1775 D1779 T1781 P1782 F1813 K1814 F1816 | Q1775-Y1777 HydrophobicContact CB-CD2 4.32Å; Q1775-Y1777 HydrophobicContact CB-CE2 3.51Å; Q1775-Y1777 VanDerWaalsContact CB-CE2 3.41Å; Q1775-Y1777 HydrophobicContact CG-CE2 4.47Å; Q1775-Y1777 PolarHBondContact OE1-OH 3.1Å; Y1777-D1779 WeakPolarHBondContact CB-O 3.11Å; Y1777-T1781 CarbonylContact C-O 3.52Å; Y1777-T1781 VanDerWaalsContact CA-O 3.3Å; Y1777-T1781 WeakPolarHBondContact CA-O 3.22Å; Y1777-P1782 HydrophobicContact CD1-CB 4.17Å; Y1777-P1782 HydrophobicContact CE1-CB 3.98Å; Y1777-F1813 CarbonylContact O-C 3.42Å; Y1777-F1813 WeakPolarHBondContact O-CA 3.13Å; Y1777-K1814 PolarHBondContact N-O 2.99Å; Y1777-K1814 PolarHBondContact O-N 2.9Å; Y1777-F1816 HydrophobicContact CD2-CE1 4.07Å; Y1777-F1816 AromaticContact CE2-CE1 3.87Å; Y1777-F1816 HydrophobicContact CE2-CE1 3.87Å; Y1777-F1816 HydrophobicContact CE2-CZ 4.29Å |
| 1778 | F | 86.3 | Confident | 84.2 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 104.1 | 160.1 | -70.2 | -85.9 | 0 | 0 | 0 | 107.5 | I1750 F1757 I1776 N1780 T1781 C1783 L1799 P1803 V1811 F1812 F1813 I1831 | I1750-F1778 HydrophobicContact CD1-CD1 4.23Å; I1750-F1778 HydrophobicContact CD1-CE1 4.27Å; I1750-F1778 HydrophobicContact CD1-CG 4.44Å; F1757-F1778 HydrophobicContact CB-CZ 4.42Å; F1757-F1778 HydrophobicContact CD1-CE1 4.26Å; F1757-F1778 AromaticContact CD1-CZ 3.91Å; F1757-F1778 HydrophobicContact CD1-CZ 3.91Å; F1757-F1778 AromaticContact CD2-CE2 3.85Å; F1757-F1778 HydrophobicContact CD2-CE2 3.94Å; F1757-F1778 AromaticContact CD2-CZ 3.78Å; F1757-F1778 HydrophobicContact CD2-CZ 3.9Å; F1757-F1778 HydrophobicContact CE1-CE1 4.31Å; F1757-F1778 AromaticContact CE1-CZ 3.99Å; F1757-F1778 HydrophobicContact CE1-CZ 4.1Å; F1757-F1778 AromaticContact CE2-CE2 3.94Å; F1757-F1778 HydrophobicContact CE2-CE2 4.04Å; F1757-F1778 AromaticContact CE2-CZ 3.82Å; F1757-F1778 HydrophobicContact CE2-CZ 4.1Å; F1757-F1778 HydrophobicContact CG-CE2 4.25Å; F1757-F1778 AromaticContact CG-CZ 3.82Å; F1757-F1778 HydrophobicContact CG-CZ 3.82Å; F1757-F1778 HydrophobicContact CZ-CE1 4.34Å; F1757-F1778 HydrophobicContact CZ-CE2 4.45Å; F1757-F1778 AromaticContact CZ-CZ 3.9Å; F1757-F1778 HydrophobicContact CZ-CZ 4.13Å; I1776-F1778 HydrophobicContact CG2-CE2 4.33Å; F1778-N1780 PolarHBondContact O-N 2.94Å; F1778-N1780 VanDerWaalsContact O-N 3.1Å; F1778-T1781 PolarHBondContact N-O 3.18Å; F1778-T1781 VanDerWaalsContact O-CB 3.26Å; F1778-T1781 WeakPolarHBondContact O-CB 3.37Å; F1778-T1781 PolarHBondContact O-N 2.99Å; F1778-T1781 PolarHBondContact O-OG1 3.07Å; F1778-C1783 HydrophobicContact CD2-CB 4.05Å; F1778-C1783 HydrophobicContact CE2-CB 3.93Å; F1778-L1799 HydrophobicContact CB-CD1 4.29Å; F1778-L1799 HydrophobicContact CD2-CD1 3.73Å; F1778-L1799 VanDerWaalsContact CD2-CD1 3.46Å; F1778-L1799 HydrophobicContact CD2-CD2 4.19Å; F1778-L1799 HydrophobicContact CE2-CD1 4.36Å; F1778-L1799 HydrophobicContact CE2-CD2 4.41Å; F1778-L1799 HydrophobicContact CG-CD1 4.24Å; F1778-P1803 HydrophobicContact CB-CB 4.44Å; F1778-P1803 HydrophobicContact CB-CG 4.14Å; F1778-V1811 VanDerWaalsContact C-CG1 3.41Å; F1778-V1811 HydrophobicContact CB-CB 4.47Å; F1778-V1811 HydrophobicContact CB-CG1 3.76Å; F1778-V1811 HydrophobicContact CB-CG2 4.33Å; F1778-V1811 HydrophobicContact CD1-CG1 4.19Å; F1778-V1811 HydrophobicContact CD1-CG2 3.94Å; F1778-V1811 HydrophobicContact CG-CG1 4.41Å; F1778-F1812 CarbonylContact C-O 3.44Å; F1778-F1812 WeakPolarHBondContact CA-O 3.22Å; F1778-F1813 HydrophobicContact CD1-CB 4.26Å; F1778-F1813 HydrophobicContact CD1-CD2 4.29Å; F1778-F1813 HydrophobicContact CE1-CB 4.16Å; F1778-F1813 AromaticContact CE1-CD2 3.69Å; F1778-F1813 HydrophobicContact CE1-CD2 3.84Å; F1778-F1813 HydrophobicContact CE1-CG 4.28Å; F1778-F1813 HydrophobicContact CE2-CD2 4.32Å; F1778-F1813 HydrophobicContact CE2-CE2 4.31Å; F1778-F1813 AromaticContact CZ-CD2 3.82Å; F1778-F1813 HydrophobicContact CZ-CD2 3.82Å; F1778-F1813 HydrophobicContact CZ-CE2 4.34Å; F1778-I1831 HydrophobicContact CD1-CD1 4.27Å; F1778-I1831 HydrophobicContact CE1-CB 4.37Å; F1778-I1831 HydrophobicContact CE1-CD1 3.42Å; F1778-I1831 VanDerWaalsContact CE1-CD1 3.4Å; F1778-I1831 HydrophobicContact CE1-CG1 4.16Å; F1778-I1831 HydrophobicContact CE1-CG2 4.32Å; F1778-I1831 HydrophobicContact CZ-CD1 4.17Å |
| 1779 | D | 81.2 | Confident | 83.7 | Confident | 34.4 Ų | 34.4 | 59.5 Ų | 59.5 | 18% | 0.184 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | -102.1 | -160 | -67.8 | -33.5 | 0 | 0 | 0 | 111.4 | Y1777 S1806 V1811 F1812 | Y1777-D1779 WeakPolarHBondContact CB-O 3.11Å; D1779-S1806 PolarHBondContact OD2-OG 2.85Å; D1779-V1811 HydrophobicContact CB-CG1 4.13Å; D1779-V1811 WeakPolarHBondContact OD2-CA 3.46Å; D1779-V1811 WeakPolarHBondContact OD2-CB 3.28Å; D1779-V1811 WeakPolarHBondContact OD2-CG1 3.46Å; D1779-F1812 PolarHBondContact N-O 2.86Å; D1779-F1812 VanDerWaalsContact OD1-CB 3.3Å; D1779-F1812 WeakPolarHBondContact OD1-CB 3.27Å; D1779-F1812 WeakPolarHBondContact OD1-CD2 3.28Å; D1779-F1812 PolarHBondContact OD1-N 2.98Å; D1779-F1812 VanDerWaalsContact OD1-N 3.08Å |
| 1780 | N | 79 | Confident | 83.2 | Confident | 140.2 Ų | 140.2 | 58.9 Ų | 58.9 | 75% | 0.75 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 3.5 | 176.4 | -66.6 | -19.9 | 0 | 0 | 0 | 112.6 | F1778 P1782 | F1778-N1780 PolarHBondContact O-N 2.94Å; F1778-N1780 VanDerWaalsContact O-N 3.1Å; N1780-P1782 WeakPolarHBondContact O-CD 3.37Å |
| 1781 | T | 83 | Confident | 83.1 | Confident | 10.4 Ų | 10.4 | 58.5 Ų | 58.5 | 6% | 0.064 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 116.7 | -173.1 | -47 | 0 | 0 | 0 | 0 | 109.4 | Y1777 F1778 C1783 L1799 E1801 P1803 S1804 | Y1777-T1781 CarbonylContact C-O 3.52Å; Y1777-T1781 VanDerWaalsContact CA-O 3.3Å; Y1777-T1781 WeakPolarHBondContact CA-O 3.22Å; F1778-T1781 PolarHBondContact N-O 3.18Å; F1778-T1781 VanDerWaalsContact O-CB 3.26Å; F1778-T1781 WeakPolarHBondContact O-CB 3.37Å; F1778-T1781 PolarHBondContact O-N 2.99Å; F1778-T1781 PolarHBondContact O-OG1 3.07Å; T1781-C1783 PolarHBondContact O-N 2.76Å; T1781-L1799 HydrophobicContact CG2-CD1 4.06Å; T1781-E1801 HydrophobicContact CG2-CB 4.24Å; T1781-P1803 HydrophobicContact CG2-CB 4.35Å; T1781-P1803 VanDerWaalsContact OG1-CA 3.25Å; T1781-P1803 WeakPolarHBondContact OG1-CA 3.29Å; T1781-P1803 WeakPolarHBondContact OG1-CB 3.49Å; T1781-S1804 PolarHBondContact OG1-N 3.25Å; T1781-S1804 VanDerWaalsContact OG1-N 3.13Å |
| 1782 | P | 86.7 | Confident | 82.9 | Confident | 68.2 Ų | 68.2 | 59.7 Ų | 59.7 | 44% | 0.443 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 135.6 | -176.9 | 26.8 | -32.9 | 0 | 0 | 0 | 111.3 | Y1777 N1780 | Y1777-P1782 HydrophobicContact CD1-CB 4.17Å; Y1777-P1782 HydrophobicContact CE1-CB 3.98Å; N1780-P1782 WeakPolarHBondContact O-CD 3.37Å |
| 1783 | C | 88.8 | Confident | 82.9 | Confident | 6.2 Ų | 6.2 | 59.5 Ų | 59.5 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 115.6 | 169.5 | -163.3 | 0 | 0 | 0 | 0 | 108.8 | I1776 F1778 T1781 I1785 C1797 Q1798 L1799 | I1776-C1783 HydrophobicContact CB-CB 4.09Å; I1776-C1783 HydrophobicContact CG2-CB 3.79Å; I1776-C1783 PolarHBondContact O-N 3.15Å; F1778-C1783 HydrophobicContact CD2-CB 4.05Å; F1778-C1783 HydrophobicContact CE2-CB 3.93Å; T1781-C1783 PolarHBondContact O-N 2.76Å; C1783-I1785 PolarHBondContact O-N 3.17Å; C1783-C1797 HydrophobicContact CB-CB 3.83Å; C1783-C1797 WeakPolarHBondContact CB-SG 3.4Å; C1783-C1797 WeakPolarHBondContact SG-CB 3.35Å; C1783-C1797 CovalentContact SG-SG 2.03Å; C1783-C1797 PolarHBondContact SG-SG 3.13Å; C1783-Q1798 PolarHBondContact SG-N 3.49Å; C1783-Q1798 VanDerWaalsContact SG-N 3.39Å; C1783-L1799 HydrophobicContact CB-CD1 4.41Å |
| 1784 | I | 88.3 | Confident | 83 | Confident | 95.8 Ų | 95.8 | 61.4 Ų | 61.4 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 119.3 | -173 | -56.9 | -156.6 | 0 | 0 | 0 | 109.5 | D1786 C1797 Q1798 M1800 | I1784-D1786 PolarHBondContact O-N 2.7Å; I1784-C1797 CarbonylContact O-C 3.53Å; I1784-C1797 WeakPolarHBondContact O-CA 3.33Å; I1784-C1797 WeakPolarHBondContact O-CB 3.35Å; I1784-Q1798 PolarHBondContact N-O 3.07Å; I1784-Q1798 PolarHBondContact O-N 3.09Å; I1784-M1800 HydrophobicContact CB-CG 4.47Å; I1784-M1800 HydrophobicContact CD1-CB 4.39Å; I1784-M1800 HydrophobicContact CD1-CE 4.14Å; I1784-M1800 HydrophobicContact CD1-CG 3.54Å; I1784-M1800 HydrophobicContact CD1-SD 3.9Å; I1784-M1800 WeakPolarHBondContact CD1-SD 3.24Å; I1784-M1800 HydrophobicContact CG1-CG 4Å; I1784-M1800 HydrophobicContact CG1-SD 4.21Å |
| 1785 | I | 87.8 | Confident | 83 | Confident | 23.6 Ų | 23.6 | 60.9 Ų | 60.9 | 12% | 0.121 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 129.1 | -178.9 | -60.8 | 172.3 | 0 | 0 | 0 | 110.4 | L1774 I1776 C1783 I1787 V1790 L1795 S1796 C1797 | L1774-I1785 HydrophobicContact CB-CD1 3.72Å; L1774-I1785 HydrophobicContact CD1-CD1 4.37Å; L1774-I1785 WeakPolarHBondContact O-CD1 3.48Å; I1776-I1785 HydrophobicContact CD1-CD1 4.06Å; I1776-I1785 HydrophobicContact CD1-CG1 3.77Å; I1776-I1785 HydrophobicContact CG1-CD1 4.27Å; I1776-I1785 HydrophobicContact CG1-CG1 4.3Å; C1783-I1785 PolarHBondContact O-N 3.17Å; I1785-I1787 PolarHBondContact O-N 2.96Å; I1785-V1790 HydrophobicContact CG2-CG2 3.41Å; I1785-V1790 VanDerWaalsContact CG2-CG2 3.41Å; I1785-L1795 HydrophobicContact CG2-CD2 4.39Å; I1785-S1796 CarbonylContact C-O 3.57Å; I1785-S1796 WeakPolarHBondContact CA-O 3.35Å; I1785-C1797 HydrophobicContact CG1-CB 4.41Å |
| 1786 | D | 82.1 | Confident | 83 | Confident | 73 Ų | 73 | 58.3 Ų | 58.3 | 39% | 0.39 | 30% | 0.304 | S | S | . | . | trans | -78.6 | 108.5 | 169.3 | 176.3 | 9.6 | 0 | 0 | 0 | 109.8 | I1784 K1788 S1789 V1790 S1796 | I1784-D1786 PolarHBondContact O-N 2.7Å; D1786-K1788 PolarHBondContact O-N 3.05Å; D1786-K1788 VanDerWaalsContact O-N 3.08Å; D1786-K1788 WeakPolarHBondContact OD1-CB 3.4Å; D1786-K1788 PolarHBondContact OD1-N 3.04Å; D1786-K1788 VanDerWaalsContact OD1-N 3.11Å; D1786-S1789 WeakPolarHBondContact CB-OG 3.13Å; D1786-S1789 VanDerWaalsContact CG-OG 3.28Å; D1786-S1789 PolarHBondContact O-N 2.9Å; D1786-S1789 VanDerWaalsContact O-N 3.16Å; D1786-S1789 PolarHBondContact O-OG 3.04Å; D1786-S1789 VanDerWaalsContact O-OG 3.1Å; D1786-S1789 PolarHBondContact OD2-OG 2.72Å; D1786-V1790 WeakPolarHBondContact O-CG2 3.42Å; D1786-S1796 WeakPolarHBondContact CB-OG 3.14Å; D1786-S1796 PolarHBondContact N-O 3.12Å | ||
| 1787 | I | 73.7 | Confident | 83 | Confident | 104.8 Ų | 104.8 | 58.1 Ų | 58.1 | 54% | 0.537 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -54 | -29.4 | -176.2 | -53.5 | 168.4 | 0 | 0 | 0 | 112 | Y1771 I1785 S1789 | Y1771-I1787 HydrophobicContact CD1-CG2 4.27Å; Y1771-I1787 HydrophobicContact CD2-CG1 4.37Å; Y1771-I1787 HydrophobicContact CE1-CD1 4.43Å; Y1771-I1787 HydrophobicContact CE1-CG1 4.31Å; Y1771-I1787 HydrophobicContact CE1-CG2 3.96Å; Y1771-I1787 HydrophobicContact CE2-CD1 4.11Å; Y1771-I1787 HydrophobicContact CE2-CG1 3.96Å; Y1771-I1787 HydrophobicContact CE2-CG2 4.2Å; Y1771-I1787 VanDerWaalsContact OH-CD1 3.27Å; Y1771-I1787 WeakPolarHBondContact OH-CD1 3.37Å; I1785-I1787 PolarHBondContact O-N 2.96Å; I1787-S1789 VanDerWaalsContact C-N 3.29Å; I1787-S1789 PolarHBondContact O-N 3.05Å |
| 1788 | K | 73.2 | Confident | 83 | Confident | 199 Ų | 199 | 58.4 Ų | 58.4 | 87% | 0.865 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -75.8 | -14.4 | -177.5 | -67.1 | -177.3 | -179.7 | 176 | 0 | 114.1 | D1786 | D1786-K1788 PolarHBondContact O-N 3.05Å; D1786-K1788 VanDerWaalsContact O-N 3.08Å; D1786-K1788 WeakPolarHBondContact OD1-CB 3.4Å; D1786-K1788 PolarHBondContact OD1-N 3.04Å; D1786-K1788 VanDerWaalsContact OD1-N 3.11Å |
| 1789 | S | 68.7 | Low | 82.8 | Confident | 32.4 Ų | 32.4 | 58.4 Ų | 58.4 | 23% | 0.227 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -111.7 | 3.6 | -168.5 | 65.7 | 0 | 0 | 0 | 0 | 114.1 | D1786 I1787 T1791 I1794 L1795 S1796 | D1786-S1789 WeakPolarHBondContact CB-OG 3.13Å; D1786-S1789 VanDerWaalsContact CG-OG 3.28Å; D1786-S1789 PolarHBondContact O-N 2.9Å; D1786-S1789 VanDerWaalsContact O-N 3.16Å; D1786-S1789 PolarHBondContact O-OG 3.04Å; D1786-S1789 VanDerWaalsContact O-OG 3.1Å; D1786-S1789 PolarHBondContact OD2-OG 2.72Å; I1787-S1789 VanDerWaalsContact C-N 3.29Å; I1787-S1789 PolarHBondContact O-N 3.05Å; S1789-T1791 PolarHBondContact O-N 3.34Å; S1789-I1794 VanDerWaalsContact O-O 3.13Å; S1789-L1795 WeakPolarHBondContact O-CA 3.47Å; S1789-S1796 VanDerWaalsContact CB-CB 3.43Å; S1789-S1796 WeakPolarHBondContact CB-OG 3.46Å; S1789-S1796 WeakPolarHBondContact OG-CA 3.49Å; S1789-S1796 WeakPolarHBondContact OG-CB 3.37Å; S1789-S1796 PolarHBondContact OG-N 3.34Å; S1789-S1796 PolarHBondContact OG-O 3.24Å; S1789-S1796 PolarHBondContact OG-OG 2.79Å |
| 1790 | V | 71.9 | Confident | 82.6 | Confident | 33.6 Ų | 33.6 | 61.1 Ų | 61.1 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | trans | -85 | 117.8 | -173.8 | -173 | 0 | 0 | 0 | 0 | 110.7 | L1765 L1774 I1785 D1786 I1794 L1795 | L1765-V1790 HydrophobicContact CD1-CB 4.36Å; L1765-V1790 HydrophobicContact CD1-CG1 3.31Å; L1765-V1790 HydrophobicContact CG-CG1 4.31Å; L1774-V1790 HydrophobicContact CD1-CG1 4.41Å; I1785-V1790 HydrophobicContact CG2-CG2 3.41Å; I1785-V1790 VanDerWaalsContact CG2-CG2 3.41Å; D1786-V1790 WeakPolarHBondContact O-CG2 3.42Å; V1790-I1794 CarbonylContact C-O 3.48Å; V1790-I1794 WeakPolarHBondContact CA-O 3.26Å; V1790-L1795 HydrophobicContact CB-CD2 4.28Å; V1790-L1795 HydrophobicContact CG1-CB 4.41Å; V1790-L1795 HydrophobicContact CG1-CD2 3.72Å; V1790-L1795 HydrophobicContact CG2-CD2 3.95Å | ||
| 1791 | T | 80.1 | Confident | 82.4 | Confident | 72.6 Ų | 72.6 | 60.7 Ų | 60.7 | 45% | 0.445 | 31% | 0.314 | S | S | . | . | trans | -123.9 | 175.8 | 170.7 | 64.6 | 0 | 0 | 0 | 0 | 109.4 | S1789 D1793 I1794 | S1789-T1791 PolarHBondContact O-N 3.34Å; T1791-D1793 PolarHBondContact O-N 3.22Å; T1791-D1793 VanDerWaalsContact O-N 3.11Å; T1791-D1793 PolarHBondContact OG1-N 2.76Å; T1791-I1794 PolarHBondContact N-O 3.12Å; T1791-I1794 WeakPolarHBondContact OG1-CA 3.33Å; T1791-I1794 VanDerWaalsContact OG1-CB 3.29Å; T1791-I1794 WeakPolarHBondContact OG1-CB 3.26Å; T1791-I1794 PolarHBondContact OG1-N 2.8Å; T1791-I1794 PolarHBondContact OG1-O 3.04Å | ||
| 1792 | M | 79.6 | Confident | 81.7 | Confident | 107 Ų | 107 | 60.7 Ų | 60.7 | 53% | 0.527 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -59.8 | -25.4 | 177.5 | -62.3 | -172.5 | -126.2 | 0 | 0 | 113.1 | N1762 N1763 F1764 L1765 P1767 | N1762-M1792 CarbonylContact C-O 3.6Å; N1763-M1792 PolarHBondContact N-O 2.85Å; N1763-M1792 VanDerWaalsContact N-O 3.13Å; F1764-M1792 PolarHBondContact N-O 3.08Å; F1764-M1792 VanDerWaalsContact N-O 3.12Å; L1765-M1792 WeakPolarHBondContact O-CA 3.33Å; L1765-M1792 WeakPolarHBondContact O-CB 3.25Å; L1765-M1792 VanDerWaalsContact O-CG 3.29Å; L1765-M1792 WeakPolarHBondContact O-CG 3.37Å; P1767-M1792 HydrophobicContact CG-CE 4.32Å; P1767-M1792 HydrophobicContact CG-SD 4.04Å |
| 1793 | D | 85.3 | Confident | 81 | Confident | 70.8 Ų | 70.8 | 57.6 Ų | 57.6 | 38% | 0.379 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -125 | -7.8 | -169.7 | -63.8 | -31.8 | 0 | 0 | 0 | 113.9 | H1760 G1761 N1762 F1764 T1791 | H1760-D1793 CarbonylContact C-O 3.51Å; H1760-D1793 WeakPolarHBondContact CA-O 3.29Å; G1761-D1793 CarbonylContact C-O 3.54Å; G1761-D1793 PolarHBondContact N-O 3.1Å; G1761-D1793 CarbonylContact O-C 3.59Å; G1761-D1793 VanDerWaalsContact O-CA 3.28Å; G1761-D1793 WeakPolarHBondContact O-CA 3.3Å; G1761-D1793 VanDerWaalsContact O-CB 3.24Å; G1761-D1793 WeakPolarHBondContact O-CB 3.33Å; G1761-D1793 VanDerWaalsContact O-O 3.1Å; N1762-D1793 VanDerWaalsContact CA-OD1 3.3Å; N1762-D1793 WeakPolarHBondContact CA-OD1 3.37Å; N1762-D1793 PolarHBondContact ND2-OD1 3.15Å; F1764-D1793 WeakPolarHBondContact CE2-O 3.41Å; T1791-D1793 PolarHBondContact O-N 3.22Å; T1791-D1793 VanDerWaalsContact O-N 3.11Å; T1791-D1793 PolarHBondContact OG1-N 2.76Å |
| 1794 | I | 88.2 | Confident | 79.8 | Confident | 65.8 Ų | 65.8 | 60.9 Ų | 60.9 | 34% | 0.337 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 134.8 | -177.2 | -51.5 | 177.9 | 0 | 0 | 0 | 109.4 | I1758 I1759 S1789 V1790 T1791 | I1758-I1794 HydrophobicContact CG2-CG2 3.93Å; I1759-I1794 CarbonylContact O-C 3.58Å; I1759-I1794 VanDerWaalsContact O-CA 3.3Å; I1759-I1794 WeakPolarHBondContact O-CA 3.3Å; S1789-I1794 VanDerWaalsContact O-O 3.13Å; V1790-I1794 CarbonylContact C-O 3.48Å; V1790-I1794 WeakPolarHBondContact CA-O 3.26Å; T1791-I1794 PolarHBondContact N-O 3.12Å; T1791-I1794 WeakPolarHBondContact OG1-CA 3.33Å; T1791-I1794 VanDerWaalsContact OG1-CB 3.29Å; T1791-I1794 WeakPolarHBondContact OG1-CB 3.26Å; T1791-I1794 PolarHBondContact OG1-N 2.8Å; T1791-I1794 PolarHBondContact OG1-O 3.04Å |
| 1795 | L | 89.5 | Confident | 78.3 | Confident | 0.4 Ų | 0.4 | 59.5 Ų | 59.5 | 0% | 0.002 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 148.1 | 172.4 | 20.9 | 117.8 | 0 | 0 | 0 | 109.6 | I1758 I1759 F1764 L1774 I1776 I1785 S1789 V1790 L1815 | I1758-L1795 CarbonylContact C-O 3.59Å; I1759-L1795 HydrophobicContact CB-CB 4.34Å; I1759-L1795 HydrophobicContact CB-CD1 3.58Å; I1759-L1795 VanDerWaalsContact CB-CD1 3.49Å; I1759-L1795 HydrophobicContact CB-CD2 4.48Å; I1759-L1795 HydrophobicContact CB-CG 3.86Å; I1759-L1795 HydrophobicContact CD1-CB 4.4Å; I1759-L1795 HydrophobicContact CD1-CD1 3.47Å; I1759-L1795 HydrophobicContact CG1-CD1 3.86Å; I1759-L1795 HydrophobicContact CG1-CG 4.47Å; I1759-L1795 HydrophobicContact CG2-CD1 4.37Å; I1759-L1795 HydrophobicContact CG2-CG 4.33Å; I1759-L1795 PolarHBondContact N-O 2.93Å; I1759-L1795 PolarHBondContact O-N 3.03Å; F1764-L1795 HydrophobicContact CB-CD1 3.95Å; F1764-L1795 HydrophobicContact CB-CD2 4.21Å; F1764-L1795 HydrophobicContact CB-CG 4.25Å; F1764-L1795 HydrophobicContact CD1-CD1 4.06Å; F1764-L1795 HydrophobicContact CD1-CD2 4.15Å; F1764-L1795 HydrophobicContact CD2-CD1 3.56Å; F1764-L1795 VanDerWaalsContact CD2-CD1 3.44Å; F1764-L1795 HydrophobicContact CD2-CD2 3.76Å; F1764-L1795 VanDerWaalsContact CD2-CD2 3.47Å; F1764-L1795 HydrophobicContact CD2-CG 3.94Å; F1764-L1795 HydrophobicContact CE1-CD1 4.43Å; F1764-L1795 HydrophobicContact CE1-CD2 4.42Å; F1764-L1795 HydrophobicContact CE2-CD1 3.94Å; F1764-L1795 HydrophobicContact CE2-CD2 3.86Å; F1764-L1795 HydrophobicContact CE2-CG 4.18Å; F1764-L1795 HydrophobicContact CG-CD1 3.6Å; F1764-L1795 VanDerWaalsContact CG-CD1 3.45Å; F1764-L1795 HydrophobicContact CG-CD2 3.7Å; F1764-L1795 HydrophobicContact CG-CG 4.07Å; F1764-L1795 HydrophobicContact CZ-CD1 4.35Å; F1764-L1795 HydrophobicContact CZ-CD2 4.31Å; L1774-L1795 HydrophobicContact CD1-CD1 4.09Å; L1774-L1795 HydrophobicContact CD1-CD2 3.98Å; I1776-L1795 HydrophobicContact CD1-CB 4.33Å; I1776-L1795 HydrophobicContact CD1-CD1 3.63Å; I1776-L1795 HydrophobicContact CD1-CD2 4.29Å; I1776-L1795 HydrophobicContact CD1-CG 4.41Å; I1785-L1795 HydrophobicContact CG2-CD2 4.39Å; S1789-L1795 WeakPolarHBondContact O-CA 3.47Å; V1790-L1795 HydrophobicContact CB-CD2 4.28Å; V1790-L1795 HydrophobicContact CG1-CB 4.41Å; V1790-L1795 HydrophobicContact CG1-CD2 3.72Å; V1790-L1795 HydrophobicContact CG2-CD2 3.95Å; L1795-L1815 HydrophobicContact CD1-CD1 4.09Å; L1795-L1815 HydrophobicContact CD2-CD1 3.7Å |
| 1796 | S | 89.6 | Confident | 76.6 | Confident | 12.6 Ų | 12.6 | 60.5 Ų | 60.5 | 9% | 0.088 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 142.5 | 167.4 | 174.7 | 0 | 0 | 0 | 0 | 109.9 | T1756 F1757 I1785 D1786 S1789 | T1756-S1796 WeakPolarHBondContact CG2-OG 3.2Å; F1757-S1796 CarbonylContact O-C 3.53Å; F1757-S1796 VanDerWaalsContact O-CA 3.28Å; F1757-S1796 WeakPolarHBondContact O-CA 3.3Å; F1757-S1796 PolarHBondContact O-OG 3.12Å; I1785-S1796 CarbonylContact C-O 3.57Å; I1785-S1796 WeakPolarHBondContact CA-O 3.35Å; D1786-S1796 WeakPolarHBondContact CB-OG 3.14Å; D1786-S1796 PolarHBondContact N-O 3.12Å; S1789-S1796 VanDerWaalsContact CB-CB 3.43Å; S1789-S1796 WeakPolarHBondContact CB-OG 3.46Å; S1789-S1796 WeakPolarHBondContact OG-CA 3.49Å; S1789-S1796 WeakPolarHBondContact OG-CB 3.37Å; S1789-S1796 PolarHBondContact OG-N 3.34Å; S1789-S1796 PolarHBondContact OG-O 3.24Å; S1789-S1796 PolarHBondContact OG-OG 2.79Å |
| 1797 | C | 90.5 | Very high | 75.5 | Confident | 0.6 Ų | 0.6 | 62.7 Ų | 62.7 | 0% | 0.004 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 152.4 | 173.4 | 77.8 | 0 | 0 | 0 | 0 | 111.4 | T1756 F1757 I1759 I1776 C1783 I1784 I1785 | T1756-C1797 CarbonylContact C-O 3.51Å; T1756-C1797 WeakPolarHBondContact CA-O 3.26Å; F1757-C1797 PolarHBondContact N-O 3.12Å; F1757-C1797 PolarHBondContact O-N 3.21Å; I1759-C1797 HydrophobicContact CD1-CB 4.44Å; I1776-C1797 HydrophobicContact CD1-CB 4.11Å; C1783-C1797 HydrophobicContact CB-CB 3.83Å; C1783-C1797 WeakPolarHBondContact CB-SG 3.4Å; C1783-C1797 WeakPolarHBondContact SG-CB 3.35Å; C1783-C1797 CovalentContact SG-SG 2.03Å; C1783-C1797 PolarHBondContact SG-SG 3.13Å; I1784-C1797 CarbonylContact O-C 3.53Å; I1784-C1797 WeakPolarHBondContact O-CA 3.33Å; I1784-C1797 WeakPolarHBondContact O-CB 3.35Å; I1785-C1797 HydrophobicContact CG1-CB 4.41Å |
| 1798 | Q | 88.6 | Confident | 75.1 | Confident | 74.2 Ų | 74.2 | 59.7 Ų | 59.7 | 35% | 0.347 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 132.2 | 178.8 | -154.3 | -179.6 | -19.6 | 0 | 0 | 111 | N1754 Q1755 T1756 C1783 I1784 M1800 | N1754-Q1798 VanDerWaalsContact CB-NE2 3.3Å; N1754-Q1798 PolarHBondContact O-NE2 2.98Å; N1754-Q1798 PolarHBondContact OD1-NE2 2.91Å; N1754-Q1798 VanDerWaalsContact OD1-NE2 3.11Å; Q1755-Q1798 WeakPolarHBondContact O-CA 3.22Å; Q1755-Q1798 WeakPolarHBondContact O-CG 3.32Å; T1756-Q1798 HydrophobicContact CG2-CG 4.22Å; T1756-Q1798 VanDerWaalsContact OG1-CG 3.24Å; T1756-Q1798 WeakPolarHBondContact OG1-CG 3.27Å; T1756-Q1798 PolarHBondContact OG1-NE2 3.5Å; C1783-Q1798 PolarHBondContact SG-N 3.49Å; C1783-Q1798 VanDerWaalsContact SG-N 3.39Å; I1784-Q1798 PolarHBondContact N-O 3.07Å; I1784-Q1798 PolarHBondContact O-N 3.09Å; Q1798-M1800 HydrophobicContact CB-CE 3.93Å; Q1798-M1800 VanDerWaalsContact CD-CE 3.46Å; Q1798-M1800 HydrophobicContact CG-CE 3.6Å; Q1798-M1800 VanDerWaalsContact CG-CE 3.43Å; Q1798-M1800 VanDerWaalsContact NE2-CE 3.26Å; Q1798-M1800 PolarHBondContact O-N 3.02Å |
| 1799 | L | 84 | Confident | 74.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 107.7 | 176.7 | -165.2 | 78.9 | 0 | 0 | 0 | 109.7 | I1750 N1754 Q1755 F1757 F1778 T1781 C1783 E1801 P1803 | I1750-L1799 HydrophobicContact CD1-CD2 4.22Å; I1750-L1799 HydrophobicContact CG1-CD2 4.42Å; I1750-L1799 HydrophobicContact CG2-CD2 4.34Å; N1754-L1799 VanDerWaalsContact CA-O 3.27Å; N1754-L1799 WeakPolarHBondContact CA-O 3.38Å; N1754-L1799 PolarHBondContact N-O 3.01Å; N1754-L1799 VanDerWaalsContact N-O 3.12Å; Q1755-L1799 PolarHBondContact O-N 3.22Å; Q1755-L1799 VanDerWaalsContact O-N 3.13Å; F1757-L1799 HydrophobicContact CD2-CB 4.27Å; F1757-L1799 HydrophobicContact CE2-CB 4.02Å; F1757-L1799 HydrophobicContact CE2-CD2 3.95Å; F1778-L1799 HydrophobicContact CB-CD1 4.29Å; F1778-L1799 HydrophobicContact CD2-CD1 3.73Å; F1778-L1799 VanDerWaalsContact CD2-CD1 3.46Å; F1778-L1799 HydrophobicContact CD2-CD2 4.19Å; F1778-L1799 HydrophobicContact CE2-CD1 4.36Å; F1778-L1799 HydrophobicContact CE2-CD2 4.41Å; F1778-L1799 HydrophobicContact CG-CD1 4.24Å; T1781-L1799 HydrophobicContact CG2-CD1 4.06Å; C1783-L1799 HydrophobicContact CB-CD1 4.41Å; L1799-E1801 VanDerWaalsContact CD1-O 3.26Å; L1799-E1801 WeakPolarHBondContact CD1-O 3.44Å; L1799-E1801 WeakPolarHBondContact CD2-O 3.3Å; L1799-E1801 VanDerWaalsContact CG-O 3.26Å; L1799-E1801 WeakPolarHBondContact CG-O 3.33Å; L1799-E1801 PolarHBondContact O-N 2.84Å; L1799-P1803 HydrophobicContact CD1-CG 4.38Å; L1799-P1803 HydrophobicContact CD2-CG 3.87Å |
| 1800 | M | 77 | Confident | 75.4 | Confident | 92 Ų | 92 | 56.7 Ų | 56.7 | 45% | 0.453 | 32% | 0.316 | S | S | . | . | trans | -79.4 | -22.3 | -176.4 | -67.6 | -99.8 | 95.8 | 0 | 0 | 113.7 | N1754 I1784 Q1798 | N1754-M1800 WeakPolarHBondContact OD1-CE 3.42Å; I1784-M1800 HydrophobicContact CB-CG 4.47Å; I1784-M1800 HydrophobicContact CD1-CB 4.39Å; I1784-M1800 HydrophobicContact CD1-CE 4.14Å; I1784-M1800 HydrophobicContact CD1-CG 3.54Å; I1784-M1800 HydrophobicContact CD1-SD 3.9Å; I1784-M1800 WeakPolarHBondContact CD1-SD 3.24Å; I1784-M1800 HydrophobicContact CG1-CG 4Å; I1784-M1800 HydrophobicContact CG1-SD 4.21Å; Q1798-M1800 HydrophobicContact CB-CE 3.93Å; Q1798-M1800 VanDerWaalsContact CD-CE 3.46Å; Q1798-M1800 HydrophobicContact CG-CE 3.6Å; Q1798-M1800 VanDerWaalsContact CG-CE 3.43Å; Q1798-M1800 VanDerWaalsContact NE2-CE 3.26Å; Q1798-M1800 PolarHBondContact O-N 3.02Å | ||
| 1801 | E | 73.9 | Confident | 75.8 | Confident | 132.2 Ų | 132.2 | 55.2 Ų | 55.2 | 62% | 0.618 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -140.6 | 147.7 | -177.5 | -48.2 | -175.2 | 177.2 | 0 | 0 | 108.9 | T1781 L1799 | T1781-E1801 HydrophobicContact CG2-CB 4.24Å; L1799-E1801 VanDerWaalsContact CD1-O 3.26Å; L1799-E1801 WeakPolarHBondContact CD1-O 3.44Å; L1799-E1801 WeakPolarHBondContact CD2-O 3.3Å; L1799-E1801 VanDerWaalsContact CG-O 3.26Å; L1799-E1801 WeakPolarHBondContact CG-O 3.33Å; L1799-E1801 PolarHBondContact O-N 2.84Å |
| 1802 | S | 69.1 | Low | 76 | Confident | 10.8 Ų | 10.8 | 56.8 Ų | 56.8 | 8% | 0.076 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 138.7 | 176.5 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | S1804 N1833 N1858 N1883 D1884 | S1802-S1804 PolarHBondContact O-N 3.15Å; S1802-N1833 PolarHBondContact OG-ND2 2.8Å; S1802-N1858 WeakPolarHBondContact CB-OD1 3.3Å; S1802-N1858 PolarHBondContact OG-OD1 3.34Å; S1802-N1883 WeakPolarHBondContact CB-ND2 3.06Å; S1802-N1883 PolarHBondContact O-ND2 2.96Å; S1802-N1883 VanDerWaalsContact O-ND2 3.07Å; S1802-N1883 PolarHBondContact OG-ND2 2.77Å; S1802-D1884 WeakPolarHBondContact CB-OD1 3.06Å |
| 1803 | P | 71.3 | Confident | 76.4 | Confident | 1.4 Ų | 1.4 | 52 Ų | 52 | 1% | 0.009 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -63 | 141.8 | -175.6 | -19.2 | 33.4 | 0 | 0 | 0 | 111.7 | I1750 F1778 T1781 L1799 V1811 N1883 | I1750-P1803 HydrophobicContact CD1-CG 3.67Å; F1778-P1803 HydrophobicContact CB-CB 4.44Å; F1778-P1803 HydrophobicContact CB-CG 4.14Å; T1781-P1803 HydrophobicContact CG2-CB 4.35Å; T1781-P1803 VanDerWaalsContact OG1-CA 3.25Å; T1781-P1803 WeakPolarHBondContact OG1-CA 3.29Å; T1781-P1803 WeakPolarHBondContact OG1-CB 3.49Å; L1799-P1803 HydrophobicContact CD1-CG 4.38Å; L1799-P1803 HydrophobicContact CD2-CG 3.87Å; P1803-V1811 HydrophobicContact CB-CB 4.37Å; P1803-V1811 HydrophobicContact CB-CG1 3.75Å; P1803-V1811 HydrophobicContact CB-CG2 4.23Å; P1803-V1811 HydrophobicContact CG-CG1 4.11Å; P1803-V1811 HydrophobicContact CG-CG2 4.38Å; P1803-N1883 PolarHBondContact O-ND2 2.66Å |
| 1804 | S | 63.3 | Low | 76.6 | Confident | 77.2 Ų | 77.2 | 53.2 Ų | 53.2 | 54% | 0.54 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 133.7 | 179.2 | -81.9 | 0 | 0 | 0 | 0 | 110.7 | T1781 S1802 S1806 N1883 | T1781-S1804 PolarHBondContact OG1-N 3.25Å; T1781-S1804 VanDerWaalsContact OG1-N 3.13Å; S1802-S1804 PolarHBondContact O-N 3.15Å; S1804-S1806 PolarHBondContact O-N 2.96Å; S1804-S1806 VanDerWaalsContact O-N 3.13Å; S1804-N1883 VanDerWaalsContact CA-ND2 3.27Å; S1804-N1883 WeakPolarHBondContact CA-ND2 3.31Å; S1804-N1883 PolarHBondContact N-ND2 3.09Å; S1804-N1883 PolarHBondContact OG-ND2 3.49Å; S1804-N1883 VanDerWaalsContact OG-ND2 3.1Å |
| 1805 | P | 56.6 | Low | 76.7 | Confident | 65.8 Ų | 65.8 | 50.1 Ų | 50.1 | 43% | 0.427 | 27% | 0.27 | S | S | . | . | trans | -64.6 | 113.7 | -171.3 | 26.3 | -34.6 | 0 | 0 | 0 | 110.7 | S1807 N1861 N1883 | P1805-S1807 VanDerWaalsContact C-N 3.28Å; P1805-S1807 PolarHBondContact O-N 3.12Å; P1805-S1807 VanDerWaalsContact O-N 3.14Å; P1805-N1861 WeakPolarHBondContact CD-ND2 3.38Å; P1805-N1861 VanDerWaalsContact CD-OD1 3.23Å; P1805-N1861 WeakPolarHBondContact CD-OD1 3.29Å; P1805-N1861 HydrophobicContact CG-CB 4.23Å; P1805-N1861 WeakPolarHBondContact CG-ND2 3.41Å; P1805-N1861 WeakPolarHBondContact CG-OD1 3.48Å; P1805-N1883 WeakPolarHBondContact CD-OD1 3.35Å | ||
| 1806 | S | 52.5 | Low | 76.7 | Confident | 44 Ų | 44 | 51.7 Ų | 51.7 | 31% | 0.308 | 28% | 0.277 | S | S | . | . | trans | -80.1 | 139.4 | 155.6 | 62.8 | 0 | 0 | 0 | 0 | 108.3 | D1779 S1804 S1808 Y1810 | D1779-S1806 PolarHBondContact OD2-OG 2.85Å; S1804-S1806 PolarHBondContact O-N 2.96Å; S1804-S1806 VanDerWaalsContact O-N 3.13Å; S1806-S1808 PolarHBondContact O-N 2.98Å; S1806-S1808 PolarHBondContact O-OG 3.18Å; S1806-S1808 PolarHBondContact OG-N 3.15Å; S1806-S1808 PolarHBondContact OG-O 3.06Å; S1806-S1808 PolarHBondContact OG-OG 3.3Å; S1806-Y1810 PolarHBondContact OG-O 3Å | ||
| 1807 | S | 58.3 | Low | 76.8 | Confident | 119.6 Ų | 119.6 | 51.1 Ų | 51.1 | 84% | 0.836 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -50.7 | 13.8 | 177.1 | 56.4 | 0 | 0 | 0 | 0 | 115 | P1805 S1863 | P1805-S1807 VanDerWaalsContact C-N 3.28Å; P1805-S1807 PolarHBondContact O-N 3.12Å; P1805-S1807 VanDerWaalsContact O-N 3.14Å; S1807-S1863 WeakPolarHBondContact CB-OG 3.48Å |
| 1808 | S | 64.9 | Low | 76.7 | Confident | 42 Ų | 42 | 54.3 Ų | 54.3 | 29% | 0.294 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -128 | 140.9 | -168.8 | 123.2 | 0 | 0 | 0 | 0 | 108.9 | S1806 Y1810 H1862 | S1806-S1808 PolarHBondContact O-N 2.98Å; S1806-S1808 PolarHBondContact O-OG 3.18Å; S1806-S1808 PolarHBondContact OG-N 3.15Å; S1806-S1808 PolarHBondContact OG-O 3.06Å; S1806-S1808 PolarHBondContact OG-OG 3.3Å; S1808-Y1810 WeakPolarHBondContact CB-O 3.44Å; S1808-Y1810 PolarHBondContact O-N 3.05Å; S1808-Y1810 VanDerWaalsContact O-N 3.13Å; S1808-Y1810 WeakPolarHBondContact OG-CA 3.3Å; S1808-Y1810 VanDerWaalsContact OG-CB 3.31Å; S1808-Y1810 WeakPolarHBondContact OG-CB 3.35Å; S1808-Y1810 PolarHBondContact OG-N 3Å; S1808-Y1810 VanDerWaalsContact OG-N 3.09Å; S1808-Y1810 PolarHBondContact OG-O 3.09Å; S1808-H1862 VanDerWaalsContact C-NE2 3.33Å |
| 1809 | D | 70.4 | Confident | 76.7 | Confident | 57.6 Ų | 57.6 | 54.4 Ų | 54.4 | 31% | 0.308 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -66.7 | 5.4 | 168.9 | -66.9 | -29.8 | 0 | 0 | 0 | 112.4 | K1832 N1833 H1862 N1910 | D1809-K1832 HydrophobicContact CB-CG 4.4Å; D1809-K1832 CarbonylContact O-C 3.52Å; D1809-K1832 VanDerWaalsContact O-C 3.31Å; D1809-K1832 VanDerWaalsContact O-CA 3.27Å; D1809-K1832 WeakPolarHBondContact O-CA 3.36Å; D1809-N1833 PolarHBondContact O-N 2.95Å; D1809-H1862 PolarHBondContact N-NE2 2.97Å; D1809-H1862 IonicContact OD1-CD2 3.21Å; D1809-H1862 IonicContact OD1-CE1 3.78Å; D1809-H1862 IonicContact OD1-NE2 3.59Å; D1809-H1862 PolarHBondContact OD1-NE2 3.13Å; D1809-N1910 PolarHBondContact OD1-ND2 2.51Å; D1809-N1910 VanDerWaalsContact OD1-ND2 3.14Å; D1809-N1910 PolarHBondContact OD2-ND2 3.24Å |
| 1810 | Y | 78.4 | Confident | 76.9 | Confident | 110.2 Ų | 110.2 | 54.6 Ų | 54.6 | 43% | 0.432 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 142.6 | -175.6 | -57.6 | -89.2 | 0 | 0 | 0 | 111.9 | S1806 S1808 I1831 K1832 | S1806-Y1810 PolarHBondContact OG-O 3Å; S1808-Y1810 WeakPolarHBondContact CB-O 3.44Å; S1808-Y1810 PolarHBondContact O-N 3.05Å; S1808-Y1810 VanDerWaalsContact O-N 3.13Å; S1808-Y1810 WeakPolarHBondContact OG-CA 3.3Å; S1808-Y1810 VanDerWaalsContact OG-CB 3.31Å; S1808-Y1810 WeakPolarHBondContact OG-CB 3.35Å; S1808-Y1810 PolarHBondContact OG-N 3Å; S1808-Y1810 VanDerWaalsContact OG-N 3.09Å; S1808-Y1810 PolarHBondContact OG-O 3.09Å; Y1810-I1831 CarbonylContact C-O 3.47Å; Y1810-I1831 VanDerWaalsContact CA-O 3.3Å; Y1810-I1831 WeakPolarHBondContact CA-O 3.17Å; Y1810-K1832 HydrophobicContact CD1-CB 4.2Å; Y1810-K1832 HydrophobicContact CD1-CG 4.23Å; Y1810-K1832 HydrophobicContact CE1-CB 4.1Å; Y1810-K1832 HydrophobicContact CE1-CD 4.03Å; Y1810-K1832 HydrophobicContact CE1-CG 4.3Å |
| 1811 | V | 80.9 | Confident | 77.6 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 143.1 | 177 | -96.5 | 0 | 0 | 0 | 0 | 110.1 | I1750 F1778 D1779 P1803 T1830 I1831 N1833 | I1750-V1811 HydrophobicContact CD1-CG2 3.8Å; I1750-V1811 VanDerWaalsContact CD1-CG2 3.43Å; I1750-V1811 HydrophobicContact CG1-CG2 4.48Å; F1778-V1811 VanDerWaalsContact C-CG1 3.41Å; F1778-V1811 HydrophobicContact CB-CB 4.47Å; F1778-V1811 HydrophobicContact CB-CG1 3.76Å; F1778-V1811 HydrophobicContact CB-CG2 4.33Å; F1778-V1811 HydrophobicContact CD1-CG1 4.19Å; F1778-V1811 HydrophobicContact CD1-CG2 3.94Å; F1778-V1811 HydrophobicContact CG-CG1 4.41Å; D1779-V1811 HydrophobicContact CB-CG1 4.13Å; D1779-V1811 WeakPolarHBondContact OD2-CA 3.46Å; D1779-V1811 WeakPolarHBondContact OD2-CB 3.28Å; D1779-V1811 WeakPolarHBondContact OD2-CG1 3.46Å; P1803-V1811 HydrophobicContact CB-CB 4.37Å; P1803-V1811 HydrophobicContact CB-CG1 3.75Å; P1803-V1811 HydrophobicContact CB-CG2 4.23Å; P1803-V1811 HydrophobicContact CG-CG1 4.11Å; P1803-V1811 HydrophobicContact CG-CG2 4.38Å; V1811-T1830 WeakPolarHBondContact O-CA 3.38Å; V1811-I1831 HydrophobicContact CG2-CB 4.04Å; V1811-I1831 HydrophobicContact CG2-CG2 4.42Å; V1811-I1831 WeakPolarHBondContact CG2-O 3.35Å; V1811-I1831 PolarHBondContact N-O 3.02Å; V1811-I1831 PolarHBondContact O-N 3.04Å; V1811-N1833 HydrophobicContact CG1-CB 4.28Å; V1811-N1833 HydrophobicContact CG2-CB 4.11Å |
| 1812 | F | 84.4 | Confident | 78.4 | Confident | 105.2 Ų | 105.2 | 48.9 Ų | 48.9 | 46% | 0.461 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 122.6 | 179.2 | -68.9 | -88.2 | 0 | 0 | 0 | 112 | F1778 D1779 K1814 T1829 T1830 | F1778-F1812 CarbonylContact C-O 3.44Å; F1778-F1812 WeakPolarHBondContact CA-O 3.22Å; D1779-F1812 PolarHBondContact N-O 2.86Å; D1779-F1812 VanDerWaalsContact OD1-CB 3.3Å; D1779-F1812 WeakPolarHBondContact OD1-CB 3.27Å; D1779-F1812 WeakPolarHBondContact OD1-CD2 3.28Å; D1779-F1812 PolarHBondContact OD1-N 2.98Å; D1779-F1812 VanDerWaalsContact OD1-N 3.08Å; F1812-K1814 PolarHBondContact O-N 3.12Å; F1812-T1829 CarbonylContact C-O 3.58Å; F1812-T1829 WeakPolarHBondContact CA-O 3.16Å; F1812-T1830 HydrophobicContact CD1-CG2 3.72Å; F1812-T1830 HydrophobicContact CD2-CG2 4.49Å; F1812-T1830 HydrophobicContact CE1-CG2 3.39Å; F1812-T1830 VanDerWaalsContact CE1-CG2 3.44Å; F1812-T1830 HydrophobicContact CE2-CG2 4.3Å; F1812-T1830 HydrophobicContact CG-CG2 4.34Å; F1812-T1830 HydrophobicContact CZ-CG2 3.88Å |
| 1813 | F | 87.9 | Confident | 79.4 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 131.6 | 169.5 | 177.4 | -94.7 | 0 | 0 | 0 | 111 | V1742 I1745 I1759 I1776 Y1777 F1778 L1815 Y1825 T1829 I1831 | V1742-F1813 HydrophobicContact CB-CE1 4.5Å; V1742-F1813 HydrophobicContact CG1-CD1 4.4Å; V1742-F1813 HydrophobicContact CG1-CE1 4.01Å; V1742-F1813 HydrophobicContact CG2-CE1 3.98Å; I1745-F1813 HydrophobicContact CD1-CB 3.85Å; I1745-F1813 HydrophobicContact CD1-CD1 3.45Å; I1745-F1813 VanDerWaalsContact CD1-CD1 3.48Å; I1745-F1813 HydrophobicContact CD1-CD2 3.76Å; I1745-F1813 HydrophobicContact CD1-CE1 3.84Å; I1745-F1813 HydrophobicContact CD1-CE2 4.1Å; I1745-F1813 HydrophobicContact CD1-CG 3.4Å; I1745-F1813 VanDerWaalsContact CD1-CG 3.45Å; I1745-F1813 HydrophobicContact CD1-CZ 4.14Å; I1745-F1813 HydrophobicContact CG1-CE1 4.32Å; I1745-F1813 HydrophobicContact CG1-CZ 4.37Å; I1759-F1813 HydrophobicContact CD1-CE2 4.42Å; I1759-F1813 HydrophobicContact CD1-CZ 4.47Å; I1759-F1813 HydrophobicContact CG1-CE2 3.96Å; I1759-F1813 HydrophobicContact CG1-CZ 3.88Å; I1759-F1813 HydrophobicContact CG2-CZ 4.12Å; I1776-F1813 HydrophobicContact CG2-CD2 4.19Å; I1776-F1813 HydrophobicContact CG2-CE2 3.36Å; I1776-F1813 HydrophobicContact CG2-CZ 3.9Å; Y1777-F1813 CarbonylContact O-C 3.42Å; Y1777-F1813 WeakPolarHBondContact O-CA 3.13Å; F1778-F1813 HydrophobicContact CD1-CB 4.26Å; F1778-F1813 HydrophobicContact CD1-CD2 4.29Å; F1778-F1813 HydrophobicContact CE1-CB 4.16Å; F1778-F1813 AromaticContact CE1-CD2 3.69Å; F1778-F1813 HydrophobicContact CE1-CD2 3.84Å; F1778-F1813 HydrophobicContact CE1-CG 4.28Å; F1778-F1813 HydrophobicContact CE2-CD2 4.32Å; F1778-F1813 HydrophobicContact CE2-CE2 4.31Å; F1778-F1813 AromaticContact CZ-CD2 3.82Å; F1778-F1813 HydrophobicContact CZ-CD2 3.82Å; F1778-F1813 HydrophobicContact CZ-CE2 4.34Å; F1813-L1815 HydrophobicContact CE1-CB 3.83Å; F1813-L1815 HydrophobicContact CZ-CB 4.01Å; F1813-L1815 HydrophobicContact CZ-CD1 4.28Å; F1813-Y1825 HydrophobicContact CD1-CD1 4.34Å; F1813-Y1825 AromaticContact CD1-CE1 3.77Å; F1813-Y1825 HydrophobicContact CD1-CE1 3.77Å; F1813-Y1825 HydrophobicContact CE1-CD1 4.41Å; F1813-Y1825 AromaticContact CE1-CE1 3.86Å; F1813-Y1825 HydrophobicContact CE1-CE1 3.96Å; F1813-T1829 WeakPolarHBondContact CB-O 3.3Å; F1813-T1829 PolarHBondContact N-O 3.07Å; F1813-I1831 HydrophobicContact CB-CD1 4.35Å; F1813-I1831 HydrophobicContact CB-CG1 3.9Å |
| 1814 | K | 88.8 | Confident | 80.2 | Confident | 96.2 Ų | 96.2 | 50.5 Ų | 50.5 | 42% | 0.418 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 129.5 | 172.8 | -79.4 | 177.1 | -175.1 | 169.7 | 0 | 110.2 | I1776 Y1777 F1812 Y1825 | I1776-K1814 CarbonylContact C-O 3.56Å; I1776-K1814 WeakPolarHBondContact CA-O 3.28Å; Y1777-K1814 PolarHBondContact N-O 2.99Å; Y1777-K1814 PolarHBondContact O-N 2.9Å; F1812-K1814 PolarHBondContact O-N 3.12Å; K1814-Y1825 VanDerWaalsContact CA-OH 3.3Å; K1814-Y1825 WeakPolarHBondContact CA-OH 3.36Å |
| 1815 | L | 90.8 | Very high | 81.3 | Confident | 0.4 Ų | 0.4 | 50.3 Ų | 50.3 | 0% | 0.002 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.5 | 167.2 | -172.6 | 150.8 | 0 | 0 | 0 | 108.8 | P1740 V1742 I1759 F1764 L1774 Q1775 I1776 L1795 F1813 S1823 Y1825 | P1740-L1815 HydrophobicContact CB-CD2 4.03Å; P1740-L1815 HydrophobicContact CG-CD2 4.42Å; V1742-L1815 HydrophobicContact CG2-CB 4.17Å; V1742-L1815 HydrophobicContact CG2-CD1 4.25Å; I1759-L1815 HydrophobicContact CG2-CD1 4.3Å; F1764-L1815 HydrophobicContact CD1-CD1 4.05Å; F1764-L1815 HydrophobicContact CD1-CD2 4.32Å; F1764-L1815 HydrophobicContact CE1-CD1 3.91Å; F1764-L1815 HydrophobicContact CE1-CD2 4.39Å; F1764-L1815 HydrophobicContact CZ-CD1 4.46Å; L1774-L1815 HydrophobicContact CD2-CD2 4.03Å; Q1775-L1815 WeakPolarHBondContact O-CA 3.37Å; I1776-L1815 HydrophobicContact CD1-CD1 4.17Å; I1776-L1815 HydrophobicContact CG1-CD1 4.22Å; I1776-L1815 HydrophobicContact CG1-CG 4.31Å; L1795-L1815 HydrophobicContact CD1-CD1 4.09Å; L1795-L1815 HydrophobicContact CD2-CD1 3.7Å; F1813-L1815 HydrophobicContact CE1-CB 3.83Å; F1813-L1815 HydrophobicContact CZ-CB 4.01Å; F1813-L1815 HydrophobicContact CZ-CD1 4.28Å; L1815-S1823 WeakPolarHBondContact CB-OG 3.29Å; L1815-S1823 WeakPolarHBondContact CD2-OG 3.31Å; L1815-S1823 WeakPolarHBondContact O-CB 3.31Å; L1815-S1823 PolarHBondContact O-N 3.06Å; L1815-S1823 PolarHBondContact O-OG 3.31Å; L1815-S1823 VanDerWaalsContact O-OG 3.06Å; L1815-Y1825 PolarHBondContact N-OH 2.95Å; L1815-Y1825 PolarHBondContact O-OH 3.16Å; L1815-Y1825 VanDerWaalsContact O-OH 3.08Å |
| 1816 | F | 90.2 | Very high | 82.6 | Confident | 35.2 Ų | 35.2 | 51.3 Ų | 51.3 | 15% | 0.154 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 139.4 | 177.5 | 160.3 | -102.6 | 0 | 0 | 0 | 109.6 | G1649 Q1775 Y1777 E1818 Y1822 | G1649-F1816 VanDerWaalsContact O-CE2 3.31Å; G1649-F1816 WeakPolarHBondContact O-CE2 3.38Å; G1649-F1816 WeakPolarHBondContact O-CZ 3.4Å; Q1775-F1816 HydrophobicContact CB-CE1 3.99Å; Q1775-F1816 HydrophobicContact CB-CE2 4.39Å; Q1775-F1816 HydrophobicContact CB-CZ 3.9Å; Q1775-F1816 HydrophobicContact CG-CZ 4.28Å; Q1775-F1816 PolarHBondContact N-O 2.95Å; Q1775-F1816 PolarHBondContact O-N 2.89Å; Q1775-F1816 VanDerWaalsContact O-N 3.13Å; Q1775-F1816 VanDerWaalsContact OE1-CZ 3.28Å; Y1777-F1816 HydrophobicContact CD2-CE1 4.07Å; Y1777-F1816 AromaticContact CE2-CE1 3.87Å; Y1777-F1816 HydrophobicContact CE2-CE1 3.87Å; Y1777-F1816 HydrophobicContact CE2-CZ 4.29Å; F1816-E1818 HydrophobicContact CE1-CB 4.42Å; F1816-Y1822 HydrophobicContact CB-CD1 4.26Å; F1816-Y1822 AromaticContact CD2-CD1 3.59Å; F1816-Y1822 HydrophobicContact CD2-CD1 3.59Å; F1816-Y1822 AromaticContact CD2-CE1 3.68Å; F1816-Y1822 HydrophobicContact CD2-CE1 3.68Å; F1816-Y1822 HydrophobicContact CD2-CG 4.17Å; F1816-Y1822 HydrophobicContact CE2-CD1 4.24Å; F1816-Y1822 AromaticContact CE2-CE1 3.96Å; F1816-Y1822 HydrophobicContact CE2-CE1 4.09Å; F1816-Y1822 HydrophobicContact CE2-CE2 4.39Å; F1816-Y1822 HydrophobicContact CE2-CG 4.45Å; F1816-Y1822 HydrophobicContact CG-CD1 4.44Å; F1816-Y1822 HydrophobicContact CG-CE1 4.41Å |
| 1817 | H | 91.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 122.5 | 171.9 | -171.3 | -66.2 | 0 | 0 | 0 | 108.7 | P1740 F1764 E1769 N1773 L1774 I1819 R1820 G1821 | P1740-H1817 HydrophobicContact CG-CB 4.04Å; F1764-H1817 PolarHBondContact O-CD2 2.84Å; E1769-H1817 VanDerWaalsContact CD-NE2 3.33Å; E1769-H1817 IonicContact OE1-CE1 3.37Å; E1769-H1817 PolarHBondContact OE1-CE1 3.3Å; E1769-H1817 IonicContact OE1-NE2 3.53Å; E1769-H1817 PolarHBondContact OE1-NE2 2.73Å; E1769-H1817 IonicContact OE2-CD2 3.54Å; E1769-H1817 IonicContact OE2-CE1 2.81Å; E1769-H1817 IonicContact OE2-NE2 3.08Å; E1769-H1817 PolarHBondContact OE2-NE2 3.05Å; E1769-H1817 VanDerWaalsContact OE2-NE2 3.14Å; N1773-H1817 VanDerWaalsContact CB-CE1 3.49Å; N1773-H1817 WeakPolarHBondContact CB-CE1 3.41Å; N1773-H1817 CarbonylContact O-C 3.52Å; N1773-H1817 VanDerWaalsContact O-CA 3.3Å; N1773-H1817 WeakPolarHBondContact O-CA 3.46Å; L1774-H1817 HydrophobicContact CD2-CB 4.1Å; H1817-I1819 VanDerWaalsContact C-N 3.31Å; H1817-I1819 PolarHBondContact ND1-N 3.12Å; H1817-I1819 VanDerWaalsContact ND1-N 3.18Å; H1817-I1819 PolarHBondContact O-N 3.22Å; H1817-I1819 VanDerWaalsContact O-N 3.12Å; H1817-R1820 HydrophobicContact CB-CB 4.28Å; H1817-R1820 PolarHBondContact CD2-NH2 2.86Å; H1817-R1820 VanDerWaalsContact CD2-NH2 3.35Å; H1817-R1820 PolarHBondContact ND1-N 2.96Å; H1817-R1820 VanDerWaalsContact ND1-N 3.14Å; H1817-R1820 PolarHBondContact O-N 2.98Å; H1817-R1820 VanDerWaalsContact O-N 3.14Å; H1817-G1821 PolarHBondContact N-O 3.04Å; H1817-G1821 VanDerWaalsContact O-CA 3.25Å; H1817-G1821 WeakPolarHBondContact O-CA 3.38Å; H1817-G1821 PolarHBondContact O-N 3.05Å |
| 1818 | E | 87.4 | Confident | 84.5 | Confident | 67.6 Ų | 67.6 | 52.1 Ų | 52.1 | 32% | 0.316 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -41 | -171.6 | -168.7 | -171.4 | 160.9 | 0 | 0 | 113.3 | Q1651 N1773 F1816 | Q1651-E1818 VanDerWaalsContact CG-O 3.29Å; Q1651-E1818 WeakPolarHBondContact CG-O 3.27Å; Q1651-E1818 VanDerWaalsContact NE2-CG 3.32Å; Q1651-E1818 PolarHBondContact NE2-O 2.84Å; Q1651-E1818 PolarHBondContact NE2-OE1 3.19Å; N1773-E1818 HydrophobicContact CB-CB 4.27Å; N1773-E1818 PolarHBondContact O-N 2.93Å; F1816-E1818 HydrophobicContact CE1-CB 4.42Å |
| 1819 | I | 88.2 | Confident | 84.9 | Confident | 75 Ų | 75 | 51.7 Ų | 51.7 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -48.9 | 180 | -54.9 | 178 | 0 | 0 | 0 | 112 | G1650 Q1651 N1773 H1817 | G1650-I1819 CarbonylContact C-O 3.55Å; G1650-I1819 VanDerWaalsContact CA-O 3.28Å; G1650-I1819 WeakPolarHBondContact CA-O 3.24Å; Q1651-I1819 PolarHBondContact N-O 3.24Å; N1773-I1819 VanDerWaalsContact ND2-CD1 3.32Å; N1773-I1819 WeakPolarHBondContact ND2-CD1 3.33Å; H1817-I1819 VanDerWaalsContact C-N 3.31Å; H1817-I1819 PolarHBondContact ND1-N 3.12Å; H1817-I1819 VanDerWaalsContact ND1-N 3.18Å; H1817-I1819 PolarHBondContact O-N 3.22Å; H1817-I1819 VanDerWaalsContact O-N 3.12Å |
| 1820 | R | 89.9 | Confident | 85.4 | Confident | 5.2 Ų | 5.2 | 51.2 Ų | 51.2 | 2% | 0.02 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -22.8 | -172.1 | -65.9 | -171.7 | -72.7 | 130.1 | -7.8 | 113.8 | G1644 S1645 A1738 N1763 F1764 E1769 H1817 | G1644-R1820 CarbonylContact C-O 3.47Å; G1644-R1820 WeakPolarHBondContact CA-O 3.39Å; S1645-R1820 VanDerWaalsContact CB-O 3.23Å; S1645-R1820 WeakPolarHBondContact CB-O 3.46Å; S1645-R1820 PolarHBondContact N-O 3.02Å; A1738-R1820 VanDerWaalsContact O-CD 3.3Å; A1738-R1820 WeakPolarHBondContact O-CD 3.28Å; A1738-R1820 PolarHBondContact O-NH1 2.96Å; N1763-R1820 VanDerWaalsContact O-CZ 3.31Å; N1763-R1820 PolarHBondContact O-NH1 2.99Å; N1763-R1820 PolarHBondContact O-NH2 2.99Å; F1764-R1820 PolarHBondContact O-NH2 3.25Å; F1764-R1820 VanDerWaalsContact O-NH2 3.12Å; E1769-R1820 VanDerWaalsContact CD-NE 3.31Å; E1769-R1820 WeakPolarHBondContact OE1-CD 3.31Å; E1769-R1820 WeakPolarHBondContact OE1-CG 3.26Å; E1769-R1820 IonicContact OE1-CZ 2.94Å; E1769-R1820 IonicContact OE1-NE 3.26Å; E1769-R1820 PolarHBondContact OE1-NE 3.13Å; E1769-R1820 IonicContact OE1-NH2 3.44Å; E1769-R1820 IonicContact OE2-CZ 3.02Å; E1769-R1820 VanDerWaalsContact OE2-CZ 3.3Å; E1769-R1820 IonicContact OE2-NE 3.62Å; E1769-R1820 PolarHBondContact OE2-NE 3.07Å; E1769-R1820 VanDerWaalsContact OE2-NE 3.13Å; E1769-R1820 IonicContact OE2-NH2 3.03Å; E1769-R1820 PolarHBondContact OE2-NH2 3.06Å; H1817-R1820 HydrophobicContact CB-CB 4.28Å; H1817-R1820 PolarHBondContact CD2-NH2 2.86Å; H1817-R1820 VanDerWaalsContact CD2-NH2 3.35Å; H1817-R1820 PolarHBondContact ND1-N 2.96Å; H1817-R1820 VanDerWaalsContact ND1-N 3.14Å; H1817-R1820 PolarHBondContact O-N 2.98Å; H1817-R1820 VanDerWaalsContact O-N 3.14Å |
| 1821 | G | 90.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 102 | -154.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115 | G1648 G1649 G1650 H1817 | G1648-G1821 CarbonylContact O-C 3.59Å; G1648-G1821 VanDerWaalsContact O-CA 3.3Å; G1648-G1821 WeakPolarHBondContact O-CA 3.34Å; G1649-G1821 VanDerWaalsContact C-CA 3.43Å; G1650-G1821 VanDerWaalsContact N-CA 3.34Å; H1817-G1821 PolarHBondContact N-O 3.04Å; H1817-G1821 VanDerWaalsContact O-CA 3.25Å; H1817-G1821 WeakPolarHBondContact O-CA 3.38Å; H1817-G1821 PolarHBondContact O-N 3.05Å |
| 1822 | Y | 90.4 | Very high | 85.6 | Confident | 105 Ų | 105 | 49.6 Ų | 49.6 | 41% | 0.412 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 150.9 | -172.2 | -63.8 | -65.2 | 0 | 0 | 0 | 113.2 | S1645 Y1647 G1648 F1816 | S1645-Y1822 WeakPolarHBondContact CB-O 3.34Å; S1645-Y1822 PolarHBondContact OG-O 3.1Å; Y1647-Y1822 WeakPolarHBondContact O-CD2 3.39Å; G1648-Y1822 VanDerWaalsContact O-CD2 3.28Å; G1648-Y1822 WeakPolarHBondContact O-CD2 3.36Å; G1648-Y1822 PolarHBondContact O-N 2.92Å; F1816-Y1822 HydrophobicContact CB-CD1 4.26Å; F1816-Y1822 AromaticContact CD2-CD1 3.59Å; F1816-Y1822 HydrophobicContact CD2-CD1 3.59Å; F1816-Y1822 AromaticContact CD2-CE1 3.68Å; F1816-Y1822 HydrophobicContact CD2-CE1 3.68Å; F1816-Y1822 HydrophobicContact CD2-CG 4.17Å; F1816-Y1822 HydrophobicContact CE2-CD1 4.24Å; F1816-Y1822 AromaticContact CE2-CE1 3.96Å; F1816-Y1822 HydrophobicContact CE2-CE1 4.09Å; F1816-Y1822 HydrophobicContact CE2-CE2 4.39Å; F1816-Y1822 HydrophobicContact CE2-CG 4.45Å; F1816-Y1822 HydrophobicContact CG-CD1 4.44Å; F1816-Y1822 HydrophobicContact CG-CE1 4.41Å |
| 1823 | S | 90.3 | Very high | 85.3 | Confident | 4.4 Ų | 4.4 | 44.9 Ų | 44.9 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -85.7 | 152.2 | 178.1 | -12.8 | 0 | 0 | 0 | 0 | 113.4 | P1740 L1815 Y1825 | P1740-S1823 CarbonylContact O-C 3.51Å; P1740-S1823 VanDerWaalsContact O-CA 3.26Å; P1740-S1823 WeakPolarHBondContact O-CA 3.35Å; P1740-S1823 VanDerWaalsContact O-CB 3.28Å; P1740-S1823 WeakPolarHBondContact O-CB 3.4Å; L1815-S1823 WeakPolarHBondContact CB-OG 3.29Å; L1815-S1823 WeakPolarHBondContact CD2-OG 3.31Å; L1815-S1823 WeakPolarHBondContact O-CB 3.31Å; L1815-S1823 PolarHBondContact O-N 3.06Å; L1815-S1823 PolarHBondContact O-OG 3.31Å; L1815-S1823 VanDerWaalsContact O-OG 3.06Å; S1823-Y1825 WeakPolarHBondContact O-CD2 3.33Å; S1823-Y1825 VanDerWaalsContact O-CE2 3.26Å; S1823-Y1825 WeakPolarHBondContact O-CE2 3.36Å; S1823-Y1825 WeakPolarHBondContact OG-CE1 3.35Å; S1823-Y1825 PolarHBondContact OG-OH 2.98Å |
| 1824 | K | 88.1 | Confident | 84.7 | Confident | 41.6 Ų | 41.6 | 47.3 Ų | 47.3 | 18% | 0.181 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 141.7 | 160.9 | -174.2 | 176.3 | 175.7 | -168.7 | 0 | 109.3 | Y1647 N1699 E1700 L1736 T1739 P1740 I1741 V1742 D1826 | Y1647-K1824 HydrophobicContact CD2-CB 4.32Å; Y1647-K1824 HydrophobicContact CE2-CB 3.69Å; Y1647-K1824 VanDerWaalsContact CE2-CB 3.44Å; Y1647-K1824 HydrophobicContact CE2-CD 4.3Å; Y1647-K1824 HydrophobicContact CE2-CG 3.87Å; N1699-K1824 PolarHBondContact O-NZ 3.07Å; E1700-K1824 WeakPolarHBondContact OE1-CE 3.12Å; E1700-K1824 IonicContact OE1-NZ 2.68Å; E1700-K1824 PolarHBondContact OE1-NZ 2.77Å; L1736-K1824 HydrophobicContact CD1-CD 3.79Å; T1739-K1824 HydrophobicContact CG2-CB 3.87Å; T1739-K1824 VanDerWaalsContact CG2-N 3.35Å; P1740-K1824 PolarHBondContact O-N 2.99Å; I1741-K1824 CarbonylContact C-O 3.55Å; I1741-K1824 WeakPolarHBondContact CA-O 3.44Å; I1741-K1824 HydrophobicContact CB-CB 4.48Å; I1741-K1824 HydrophobicContact CG1-CB 4.3Å; I1741-K1824 HydrophobicContact CG1-CD 4.5Å; I1741-K1824 HydrophobicContact CG2-CB 4.35Å; I1741-K1824 HydrophobicContact CG2-CD 4.44Å; I1741-K1824 HydrophobicContact CG2-CG 4.47Å; V1742-K1824 PolarHBondContact N-O 2.89Å; K1824-D1826 VanDerWaalsContact CE-OD1 3.28Å; K1824-D1826 WeakPolarHBondContact CE-OD1 3.44Å; K1824-D1826 IonicContact NZ-OD1 2.71Å; K1824-D1826 PolarHBondContact NZ-OD1 3.16Å; K1824-D1826 VanDerWaalsContact NZ-OD1 3.17Å |
| 1825 | Y | 87.4 | Confident | 84.1 | Confident | 72.6 Ų | 72.6 | 43.9 Ų | 43.9 | 29% | 0.285 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 119 | 175.7 | -53.9 | -89.6 | 0 | 0 | 0 | 109.2 | V1742 F1813 K1814 L1815 S1823 I1827 T1829 | V1742-Y1825 HydrophobicContact CB-CD1 3.79Å; V1742-Y1825 HydrophobicContact CB-CE1 4.29Å; V1742-Y1825 HydrophobicContact CG1-CD1 4.3Å; V1742-Y1825 HydrophobicContact CG2-CD1 3.96Å; V1742-Y1825 HydrophobicContact CG2-CE1 3.95Å; F1813-Y1825 HydrophobicContact CD1-CD1 4.34Å; F1813-Y1825 AromaticContact CD1-CE1 3.77Å; F1813-Y1825 HydrophobicContact CD1-CE1 3.77Å; F1813-Y1825 HydrophobicContact CE1-CD1 4.41Å; F1813-Y1825 AromaticContact CE1-CE1 3.86Å; F1813-Y1825 HydrophobicContact CE1-CE1 3.96Å; K1814-Y1825 VanDerWaalsContact CA-OH 3.3Å; K1814-Y1825 WeakPolarHBondContact CA-OH 3.36Å; L1815-Y1825 PolarHBondContact N-OH 2.95Å; L1815-Y1825 PolarHBondContact O-OH 3.16Å; L1815-Y1825 VanDerWaalsContact O-OH 3.08Å; S1823-Y1825 WeakPolarHBondContact O-CD2 3.33Å; S1823-Y1825 VanDerWaalsContact O-CE2 3.26Å; S1823-Y1825 WeakPolarHBondContact O-CE2 3.36Å; S1823-Y1825 WeakPolarHBondContact OG-CE1 3.35Å; S1823-Y1825 PolarHBondContact OG-OH 2.98Å; Y1825-I1827 WeakPolarHBondContact CB-O 2.95Å; Y1825-I1827 PolarHBondContact O-N 2.73Å; Y1825-T1829 HydrophobicContact CD1-CG2 3.45Å; Y1825-T1829 HydrophobicContact CD2-CG2 3.7Å; Y1825-T1829 VanDerWaalsContact CD2-CG2 3.49Å; Y1825-T1829 HydrophobicContact CE1-CG2 3.96Å; Y1825-T1829 HydrophobicContact CE2-CG2 3.89Å; Y1825-T1829 HydrophobicContact CG-CG2 3.46Å |
| 1826 | D | 83.7 | Confident | 83.4 | Confident | 85.6 Ų | 85.6 | 46.8 Ų | 46.8 | 46% | 0.458 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -87 | 1.9 | 173.1 | -71.5 | -15.9 | 0 | 0 | 0 | 111.7 | I1741 V1742 K1743 K1824 | I1741-D1826 HydrophobicContact CG2-CB 4.47Å; I1741-D1826 WeakPolarHBondContact CG2-OD2 3.18Å; V1742-D1826 PolarHBondContact O-N 3.06Å; K1743-D1826 HydrophobicContact CG-CB 4.43Å; K1824-D1826 VanDerWaalsContact CE-OD1 3.28Å; K1824-D1826 WeakPolarHBondContact CE-OD1 3.44Å; K1824-D1826 IonicContact NZ-OD1 2.71Å; K1824-D1826 PolarHBondContact NZ-OD1 3.16Å; K1824-D1826 VanDerWaalsContact NZ-OD1 3.17Å |
| 1827 | I | 78.8 | Confident | 82.8 | Confident | 49.4 Ų | 49.4 | 46.4 Ų | 46.4 | 25% | 0.253 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -128.8 | 163.3 | -179.2 | 57.3 | 165.8 | 0 | 0 | 0 | 111.8 | V1742 K1743 I1745 Y1825 T1829 | V1742-I1827 HydrophobicContact CG1-CD1 3.78Å; V1742-I1827 HydrophobicContact CG1-CG1 4.2Å; K1743-I1827 WeakPolarHBondContact O-CD1 3.33Å; K1743-I1827 WeakPolarHBondContact O-CG2 3.39Å; I1745-I1827 HydrophobicContact CB-CD1 4.2Å; I1745-I1827 HydrophobicContact CD1-CD1 3.69Å; I1745-I1827 HydrophobicContact CG1-CD1 3.71Å; Y1825-I1827 WeakPolarHBondContact CB-O 2.95Å; Y1825-I1827 PolarHBondContact O-N 2.73Å; I1827-T1829 HydrophobicContact CB-CG2 4.19Å; I1827-T1829 HydrophobicContact CD1-CG2 3.64Å; I1827-T1829 WeakPolarHBondContact CD1-OG1 3.2Å; I1827-T1829 HydrophobicContact CG1-CG2 4.13Å; I1827-T1829 WeakPolarHBondContact CG1-OG1 3.37Å; I1827-T1829 PolarHBondContact O-N 2.74Å |
| 1828 | N | 72.2 | Confident | 82.1 | Confident | 132.4 Ų | 132.4 | 51.5 Ų | 51.5 | 71% | 0.708 | 25% | 0.253 | S | S | * | . | trans | -74.8 | 117.3 | 165.7 | -148.1 | 3.7 | 0 | 0 | 0 | 110 | T1830 | N1828-T1830 VanDerWaalsContact C-N 3.35Å; N1828-T1830 PolarHBondContact ND2-OG1 3.06Å; N1828-T1830 PolarHBondContact O-N 2.57Å; N1828-T1830 WeakPolarHBondContact OD1-CB 3.43Å; N1828-T1830 PolarHBondContact OD1-N 3.16Å; N1828-T1830 VanDerWaalsContact OD1-N 3.17Å; N1828-T1830 PolarHBondContact OD1-OG1 3.14Å | ||
| 1829 | T | 73.8 | Confident | 81.9 | Confident | 32.2 Ų | 32.2 | 52 Ų | 52 | 20% | 0.198 | 26% | 0.261 | C | S | . | . | trans | -87.7 | 15.9 | -178.2 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | F1812 F1813 Y1825 I1827 I1831 | F1812-T1829 CarbonylContact C-O 3.58Å; F1812-T1829 WeakPolarHBondContact CA-O 3.16Å; F1813-T1829 WeakPolarHBondContact CB-O 3.3Å; F1813-T1829 PolarHBondContact N-O 3.07Å; Y1825-T1829 HydrophobicContact CD1-CG2 3.45Å; Y1825-T1829 HydrophobicContact CD2-CG2 3.7Å; Y1825-T1829 VanDerWaalsContact CD2-CG2 3.49Å; Y1825-T1829 HydrophobicContact CE1-CG2 3.96Å; Y1825-T1829 HydrophobicContact CE2-CG2 3.89Å; Y1825-T1829 HydrophobicContact CG-CG2 3.46Å; I1827-T1829 HydrophobicContact CB-CG2 4.19Å; I1827-T1829 HydrophobicContact CD1-CG2 3.64Å; I1827-T1829 WeakPolarHBondContact CD1-OG1 3.2Å; I1827-T1829 HydrophobicContact CG1-CG2 4.13Å; I1827-T1829 WeakPolarHBondContact CG1-OG1 3.37Å; I1827-T1829 PolarHBondContact O-N 2.74Å; T1829-I1831 PolarHBondContact O-N 3.2Å | ||
| 1830 | T | 79.9 | Confident | 81.8 | Confident | 48.6 Ų | 48.6 | 49.4 Ų | 49.4 | 30% | 0.298 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 122 | 177.4 | 53.6 | 0 | 0 | 0 | 0 | 111.2 | V1811 F1812 N1828 | V1811-T1830 WeakPolarHBondContact O-CA 3.38Å; F1812-T1830 HydrophobicContact CD1-CG2 3.72Å; F1812-T1830 HydrophobicContact CD2-CG2 4.49Å; F1812-T1830 HydrophobicContact CE1-CG2 3.39Å; F1812-T1830 VanDerWaalsContact CE1-CG2 3.44Å; F1812-T1830 HydrophobicContact CE2-CG2 4.3Å; F1812-T1830 HydrophobicContact CG-CG2 4.34Å; F1812-T1830 HydrophobicContact CZ-CG2 3.88Å; N1828-T1830 VanDerWaalsContact C-N 3.35Å; N1828-T1830 PolarHBondContact ND2-OG1 3.06Å; N1828-T1830 PolarHBondContact O-N 2.57Å; N1828-T1830 WeakPolarHBondContact OD1-CB 3.43Å; N1828-T1830 PolarHBondContact OD1-N 3.16Å; N1828-T1830 VanDerWaalsContact OD1-N 3.17Å; N1828-T1830 PolarHBondContact OD1-OG1 3.14Å |
| 1831 | I | 82.3 | Confident | 81.5 | Confident | 3.6 Ų | 3.6 | 54.2 Ų | 54.2 | 2% | 0.018 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 132.5 | 179.5 | -60.8 | -148.4 | 0 | 0 | 0 | 109.1 | I1745 N1748 I1750 F1757 F1778 Y1810 V1811 F1813 T1829 N1833 | I1745-I1831 HydrophobicContact CB-CD1 4.43Å; I1745-I1831 HydrophobicContact CD1-CD1 4.12Å; I1745-I1831 HydrophobicContact CG2-CD1 4.01Å; N1748-I1831 HydrophobicContact CB-CD1 4.49Å; N1748-I1831 WeakPolarHBondContact O-CA 3.39Å; N1748-I1831 WeakPolarHBondContact O-CG2 3.41Å; I1750-I1831 HydrophobicContact CD1-CG2 4.28Å; I1750-I1831 HydrophobicContact CG1-CG2 3.79Å; F1757-I1831 HydrophobicContact CD1-CD1 4.4Å; F1757-I1831 HydrophobicContact CE1-CD1 4.13Å; F1757-I1831 HydrophobicContact CE1-CG2 4.42Å; F1778-I1831 HydrophobicContact CD1-CD1 4.27Å; F1778-I1831 HydrophobicContact CE1-CB 4.37Å; F1778-I1831 HydrophobicContact CE1-CD1 3.42Å; F1778-I1831 VanDerWaalsContact CE1-CD1 3.4Å; F1778-I1831 HydrophobicContact CE1-CG1 4.16Å; F1778-I1831 HydrophobicContact CE1-CG2 4.32Å; F1778-I1831 HydrophobicContact CZ-CD1 4.17Å; Y1810-I1831 CarbonylContact C-O 3.47Å; Y1810-I1831 VanDerWaalsContact CA-O 3.3Å; Y1810-I1831 WeakPolarHBondContact CA-O 3.17Å; V1811-I1831 HydrophobicContact CG2-CB 4.04Å; V1811-I1831 HydrophobicContact CG2-CG2 4.42Å; V1811-I1831 WeakPolarHBondContact CG2-O 3.35Å; V1811-I1831 PolarHBondContact N-O 3.02Å; V1811-I1831 PolarHBondContact O-N 3.04Å; F1813-I1831 HydrophobicContact CB-CD1 4.35Å; F1813-I1831 HydrophobicContact CB-CG1 3.9Å; T1829-I1831 PolarHBondContact O-N 3.2Å; I1831-N1833 PolarHBondContact O-N 3.05Å |
| 1832 | K | 81.3 | Confident | 81.4 | Confident | 76.2 Ų | 76.2 | 56 Ų | 56 | 33% | 0.331 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 132.3 | -176.3 | -170.3 | 176.3 | 176.3 | -177 | 0 | 112.4 | N1748 E1749 I1750 D1809 Y1810 H1834 | N1748-K1832 PolarHBondContact O-N 2.83Å; N1748-K1832 VanDerWaalsContact O-N 3.08Å; E1749-K1832 CarbonylContact C-O 3.54Å; E1749-K1832 VanDerWaalsContact CA-O 3.23Å; E1749-K1832 WeakPolarHBondContact CA-O 3.36Å; E1749-K1832 HydrophobicContact CG-CB 4.28Å; I1750-K1832 PolarHBondContact N-O 2.77Å; D1809-K1832 HydrophobicContact CB-CG 4.4Å; D1809-K1832 CarbonylContact O-C 3.52Å; D1809-K1832 VanDerWaalsContact O-C 3.31Å; D1809-K1832 VanDerWaalsContact O-CA 3.27Å; D1809-K1832 WeakPolarHBondContact O-CA 3.36Å; Y1810-K1832 HydrophobicContact CD1-CB 4.2Å; Y1810-K1832 HydrophobicContact CD1-CG 4.23Å; Y1810-K1832 HydrophobicContact CE1-CB 4.1Å; Y1810-K1832 HydrophobicContact CE1-CD 4.03Å; Y1810-K1832 HydrophobicContact CE1-CG 4.3Å; K1832-H1834 WeakPolarHBondContact CD-NE2 3.31Å; K1832-H1834 VanDerWaalsContact CE-CE1 3.48Å; K1832-H1834 WeakPolarHBondContact CE-CE1 3.45Å; K1832-H1834 VanDerWaalsContact CE-NE2 3.28Å; K1832-H1834 WeakPolarHBondContact CE-NE2 3.39Å; K1832-H1834 VanDerWaalsContact CG-CD2 3.47Å; K1832-H1834 WeakPolarHBondContact CG-CD2 3.36Å; K1832-H1834 PolarHBondContact NZ-CE1 3.14Å; K1832-H1834 VanDerWaalsContact NZ-CE1 3.35Å; K1832-H1834 PolarHBondContact O-N 3.36Å |
| 1833 | N | 78.5 | Confident | 81.2 | Confident | 6.4 Ų | 6.4 | 55.2 Ų | 55.2 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 112 | 177.1 | -173.1 | 12.8 | 0 | 0 | 0 | 111.7 | I1750 S1802 D1809 V1811 I1831 I1835 N1858 N1859 | I1750-N1833 HydrophobicContact CB-CB 4.37Å; I1750-N1833 HydrophobicContact CD1-CB 4.42Å; I1750-N1833 HydrophobicContact CG1-CB 4.47Å; S1802-N1833 PolarHBondContact OG-ND2 2.8Å; D1809-N1833 PolarHBondContact O-N 2.95Å; V1811-N1833 HydrophobicContact CG1-CB 4.28Å; V1811-N1833 HydrophobicContact CG2-CB 4.11Å; I1831-N1833 PolarHBondContact O-N 3.05Å; N1833-I1835 PolarHBondContact O-N 2.81Å; N1833-N1858 PolarHBondContact OD1-ND2 3.02Å; N1833-N1858 VanDerWaalsContact OD1-ND2 3.11Å; N1833-N1859 PolarHBondContact ND2-ND2 2.75Å; N1833-N1859 PolarHBondContact O-ND2 3.15Å |
| 1834 | H | 75.8 | Confident | 81.1 | Confident | 56.4 Ų | 56.4 | 59.1 Ų | 59.1 | 26% | 0.261 | 31% | 0.306 | S | S | . | . | trans | -85 | 140.5 | -172.3 | -75.2 | -101.3 | 0 | 0 | 0 | 114.1 | E1749 I1750 K1832 I1836 N1858 N1859 | E1749-H1834 IonicContact OE1-NE2 2.88Å; E1749-H1834 IonicContact OE2-CD2 3.06Å; E1749-H1834 IonicContact OE2-CE1 3.51Å; E1749-H1834 IonicContact OE2-NE2 2.98Å; E1749-H1834 PolarHBondContact OE2-NE2 2.89Å; I1750-H1834 PolarHBondContact O-N 3.02Å; I1750-H1834 VanDerWaalsContact O-N 3.15Å; K1832-H1834 WeakPolarHBondContact CD-NE2 3.31Å; K1832-H1834 VanDerWaalsContact CE-CE1 3.48Å; K1832-H1834 WeakPolarHBondContact CE-CE1 3.45Å; K1832-H1834 VanDerWaalsContact CE-NE2 3.28Å; K1832-H1834 WeakPolarHBondContact CE-NE2 3.39Å; K1832-H1834 VanDerWaalsContact CG-CD2 3.47Å; K1832-H1834 WeakPolarHBondContact CG-CD2 3.36Å; K1832-H1834 PolarHBondContact NZ-CE1 3.14Å; K1832-H1834 VanDerWaalsContact NZ-CE1 3.35Å; K1832-H1834 PolarHBondContact O-N 3.36Å; H1834-I1836 VanDerWaalsContact C-N 3.31Å; H1834-I1836 HydrophobicContact CB-CD1 4.03Å; H1834-I1836 HydrophobicContact CB-CG1 3.86Å; H1834-I1836 PolarHBondContact O-N 2.78Å; H1834-N1858 PolarHBondContact O-ND2 3.06Å; H1834-N1859 VanDerWaalsContact O-CB 3.28Å; H1834-N1859 WeakPolarHBondContact O-CB 3.4Å | ||
| 1835 | I | 75.6 | Confident | 81.1 | Confident | 24.6 Ų | 24.6 | 57.3 Ų | 57.3 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | trans | -84.9 | 117.8 | 171 | -52.6 | 174.3 | 0 | 0 | 0 | 110.4 | N1833 F1837 N1858 N1859 L1860 H1862 I1865 N1910 | N1833-I1835 PolarHBondContact O-N 2.81Å; I1835-F1837 HydrophobicContact CG2-CD2 4.28Å; I1835-F1837 HydrophobicContact CG2-CE2 3.97Å; I1835-F1837 HydrophobicContact CG2-CZ 4.47Å; I1835-N1858 WeakPolarHBondContact CA-O 3.36Å; I1835-N1859 HydrophobicContact CB-CB 4.47Å; I1835-N1859 HydrophobicContact CG1-CB 4.13Å; I1835-N1859 WeakPolarHBondContact CG1-ND2 3.11Å; I1835-L1860 HydrophobicContact CG2-CD2 4.32Å; I1835-H1862 HydrophobicContact CD1-CB 3.67Å; I1835-H1862 VanDerWaalsContact CD1-CG 3.45Å; I1835-H1862 HydrophobicContact CG1-CB 4.23Å; I1835-I1865 HydrophobicContact CD1-CD1 4.28Å; I1835-I1865 HydrophobicContact CD1-CG1 4.08Å; I1835-I1865 HydrophobicContact CG2-CD1 3.83Å; I1835-I1865 HydrophobicContact CG2-CG1 4.29Å; I1835-N1910 HydrophobicContact CD1-CB 4.4Å; I1835-N1910 VanDerWaalsContact CD1-ND2 3.34Å; I1835-N1910 WeakPolarHBondContact CD1-ND2 3.25Å | ||
| 1836 | I | 76.1 | Confident | 81.1 | Confident | 60.6 Ų | 60.6 | 53.8 Ų | 53.8 | 31% | 0.311 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137 | -177.6 | -56.4 | 178.9 | 0 | 0 | 0 | 110.1 | I1751 H1834 N1838 G1857 N1858 L1860 | I1751-I1836 HydrophobicContact CB-CD1 3.88Å; I1751-I1836 HydrophobicContact CG2-CD1 3.61Å; I1751-I1836 WeakPolarHBondContact O-CD1 3.23Å; H1834-I1836 VanDerWaalsContact C-N 3.31Å; H1834-I1836 HydrophobicContact CB-CD1 4.03Å; H1834-I1836 HydrophobicContact CB-CG1 3.86Å; H1834-I1836 PolarHBondContact O-N 2.78Å; I1836-N1838 WeakPolarHBondContact CG2-OD1 3.41Å; I1836-G1857 CarbonylContact O-C 3.55Å; I1836-G1857 WeakPolarHBondContact O-CA 3.35Å; I1836-N1858 HydrophobicContact CB-CB 4.33Å; I1836-N1858 HydrophobicContact CG1-CB 4.47Å; I1836-N1858 PolarHBondContact N-O 2.86Å; I1836-N1858 VanDerWaalsContact N-O 3.1Å; I1836-N1858 PolarHBondContact O-N 2.5Å; I1836-L1860 VanDerWaalsContact O-CD2 3.25Å; I1836-L1860 WeakPolarHBondContact O-CD2 3.38Å |
| 1837 | F | 78 | Confident | 81.3 | Confident | 26.6 Ų | 26.6 | 50 Ų | 50 | 12% | 0.117 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.9 | 172.4 | -74.6 | -102.7 | 0 | 0 | 0 | 110.5 | I1835 F1855 H1856 L1860 I1865 I1867 I1886 I1908 M1914 | I1835-F1837 HydrophobicContact CG2-CD2 4.28Å; I1835-F1837 HydrophobicContact CG2-CE2 3.97Å; I1835-F1837 HydrophobicContact CG2-CZ 4.47Å; F1837-F1855 HydrophobicContact CD1-CB 4.09Å; F1837-F1855 AromaticContact CD1-CD1 3.72Å; F1837-F1855 HydrophobicContact CD1-CD1 3.96Å; F1837-F1855 AromaticContact CD1-CG 3.94Å; F1837-F1855 HydrophobicContact CD1-CG 4.23Å; F1837-F1855 HydrophobicContact CE1-CB 4.12Å; F1837-F1855 AromaticContact CE1-CD1 3.96Å; F1837-F1855 HydrophobicContact CE1-CD1 4.16Å; F1837-F1855 AromaticContact CE1-CG 3.97Å; F1837-F1855 HydrophobicContact CE1-CG 4.23Å; F1837-H1856 CarbonylContact C-O 3.57Å; F1837-H1856 WeakPolarHBondContact CA-O 3.33Å; F1837-L1860 HydrophobicContact CD1-CD1 4.38Å; F1837-L1860 HydrophobicContact CD1-CD2 4.01Å; F1837-L1860 HydrophobicContact CD2-CD2 3.88Å; F1837-L1860 HydrophobicContact CE1-CD1 4.41Å; F1837-L1860 HydrophobicContact CE1-CD2 3.8Å; F1837-L1860 HydrophobicContact CE2-CD2 3.65Å; F1837-L1860 HydrophobicContact CG-CD2 4.06Å; F1837-L1860 HydrophobicContact CZ-CD2 3.62Å; F1837-I1865 HydrophobicContact CE2-CD1 4.21Å; F1837-I1865 HydrophobicContact CE2-CG2 4.41Å; F1837-I1865 HydrophobicContact CZ-CD1 4.22Å; F1837-I1865 HydrophobicContact CZ-CG1 4.41Å; F1837-I1865 HydrophobicContact CZ-CG2 3.71Å; F1837-I1867 HydrophobicContact CE1-CD1 4.26Å; F1837-I1886 HydrophobicContact CE1-CD1 4.07Å; F1837-I1886 HydrophobicContact CE1-CG2 3.88Å; F1837-I1886 HydrophobicContact CZ-CD1 3.96Å; F1837-I1886 HydrophobicContact CZ-CG2 4.4Å; F1837-I1908 HydrophobicContact CB-CD1 4.17Å; F1837-I1908 HydrophobicContact CD1-CD1 3.95Å; F1837-I1908 HydrophobicContact CD2-CD1 3.45Å; F1837-I1908 VanDerWaalsContact CD2-CD1 3.42Å; F1837-I1908 HydrophobicContact CD2-CG1 4.37Å; F1837-I1908 HydrophobicContact CD2-CG2 4.38Å; F1837-I1908 HydrophobicContact CE1-CD1 4.15Å; F1837-I1908 HydrophobicContact CE2-CD1 3.68Å; F1837-I1908 HydrophobicContact CE2-CG1 4.31Å; F1837-I1908 HydrophobicContact CE2-CG2 3.76Å; F1837-I1908 HydrophobicContact CG-CD1 3.59Å; F1837-I1908 HydrophobicContact CZ-CD1 4.02Å; F1837-I1908 HydrophobicContact CZ-CG1 4.32Å; F1837-I1908 HydrophobicContact CZ-CG2 4.09Å; F1837-M1914 HydrophobicContact CB-CE 3.88Å; F1837-M1914 HydrophobicContact CB-CG 4.21Å; F1837-M1914 HydrophobicContact CB-SD 4.32Å; F1837-M1914 HydrophobicContact CD1-CE 3.88Å; F1837-M1914 HydrophobicContact CG-CE 4.09Å |
| 1838 | N | 77 | Confident | 81.7 | Confident | 106.8 Ų | 106.8 | 48 Ų | 48 | 57% | 0.571 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -53.3 | -172.8 | -67.3 | -8.5 | 0 | 0 | 0 | 113.3 | I1836 H1856 | I1836-N1838 WeakPolarHBondContact CG2-OD1 3.41Å; N1838-H1856 PolarHBondContact N-O 2.96Å |
| 1839 | T | 82.8 | Confident | 82.4 | Confident | 79 Ų | 79 | 41.8 Ų | 41.8 | 49% | 0.485 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 159 | -174.6 | 59.7 | 0 | 0 | 0 | 0 | 112.8 | F1855 H1856 M1914 | T1839-F1855 VanDerWaalsContact O-CA 3.27Å; T1839-F1855 WeakPolarHBondContact O-CA 3.43Å; T1839-H1856 PolarHBondContact N-O 3.19Å; T1839-H1856 PolarHBondContact O-N 2.99Å; T1839-H1856 WeakPolarHBondContact OG1-CB 3.44Å; T1839-M1914 VanDerWaalsContact C-CE 3.47Å |
| 1840 | I | 85.3 | Confident | 83.1 | Confident | 19.8 Ų | 19.8 | 40.3 Ų | 40.3 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 139.5 | 178 | -174.5 | 179.4 | 0 | 0 | 0 | 110.9 | L1843 I1853 K1854 F1855 F1869 I1906 M1914 T1916 | I1840-L1843 HydrophobicContact CG2-CD2 3.7Å; I1840-L1843 HydrophobicContact CG2-CG 4.29Å; I1840-I1853 HydrophobicContact CD1-CD1 4.44Å; I1840-I1853 HydrophobicContact CD1-CG2 3.68Å; I1840-I1853 HydrophobicContact CG1-CG2 3.32Å; I1840-I1853 VanDerWaalsContact CG1-CG2 3.41Å; I1840-K1854 CarbonylContact C-O 3.58Å; I1840-K1854 VanDerWaalsContact CA-O 3.26Å; I1840-K1854 WeakPolarHBondContact CA-O 3.32Å; I1840-F1855 HydrophobicContact CB-CD1 4.34Å; I1840-F1855 HydrophobicContact CB-CE1 4.3Å; I1840-F1855 HydrophobicContact CD1-CD1 4.41Å; I1840-F1855 HydrophobicContact CD1-CE1 3.61Å; I1840-F1855 HydrophobicContact CD1-CE2 4.28Å; I1840-F1855 HydrophobicContact CD1-CZ 3.64Å; I1840-F1855 HydrophobicContact CG1-CD1 4.25Å; I1840-F1855 HydrophobicContact CG1-CE1 3.9Å; I1840-F1855 HydrophobicContact CG1-CE2 4.33Å; I1840-F1855 HydrophobicContact CG1-CZ 4.05Å; I1840-F1869 HydrophobicContact CD1-CZ 4.45Å; I1840-I1906 HydrophobicContact CD1-CD1 3.17Å; I1840-M1914 HydrophobicContact CB-CE 3.9Å; I1840-M1914 HydrophobicContact CB-SD 4.3Å; I1840-M1914 HydrophobicContact CG2-CE 4.17Å; I1840-M1914 HydrophobicContact CG2-SD 4.29Å; I1840-T1916 HydrophobicContact CG2-CG2 3.79Å |
| 1841 | D | 84.8 | Confident | 83.4 | Confident | 105.8 Ų | 105.8 | 38.1 Ų | 38.1 | 57% | 0.566 | 20% | 0.2 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -153 | 131.3 | 177 | -177.6 | 39.4 | 0 | 0 | 0 | 111.4 | I1853 K1854 | D1841-I1853 CarbonylContact O-C 3.49Å; D1841-K1854 PolarHBondContact N-O 3.07Å; D1841-K1854 VanDerWaalsContact N-O 3.07Å; D1841-K1854 PolarHBondContact O-N 3.02Å |
| 1842 | P | 86.8 | Confident | 83.6 | Confident | 39.4 Ų | 39.4 | 40 Ų | 40 | 26% | 0.256 | 21% | 0.21 | S | C | . | . | cis | -80.6 | 170.4 | -5.2 | 35 | -35.9 | 0 | 0 | 0 | 113.6 | T1851 I1852 Y1918 | P1842-T1851 HydrophobicContact CG-CG2 4.14Å; P1842-I1852 WeakPolarHBondContact CD-O 3.35Å; P1842-Y1918 WeakPolarHBondContact O-CE2 3.44Å | ||
| 1843 | L | 87.4 | Confident | 83.9 | Confident | 86.8 Ų | 86.8 | 36.4 Ų | 36.4 | 45% | 0.454 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -94.3 | -2.2 | 179.3 | -69 | 170.8 | 0 | 0 | 0 | 114.5 | I1840 T1916 Y1918 T1919 | I1840-L1843 HydrophobicContact CG2-CD2 3.7Å; I1840-L1843 HydrophobicContact CG2-CG 4.29Å; L1843-T1916 HydrophobicContact CD1-CG2 4.44Å; L1843-T1916 HydrophobicContact CD2-CG2 3.52Å; L1843-T1916 VanDerWaalsContact CD2-CG2 3.42Å; L1843-Y1918 VanDerWaalsContact C-CD2 3.42Å; L1843-Y1918 VanDerWaalsContact C-CE2 3.48Å; L1843-Y1918 WeakPolarHBondContact O-CA 3.45Å; L1843-Y1918 WeakPolarHBondContact O-CD2 3.32Å; L1843-T1919 PolarHBondContact O-N 2.92Å |
| 1844 | E | 87.7 | Confident | 84.4 | Confident | 86.8 Ų | 86.8 | 39.2 Ų | 39.2 | 41% | 0.406 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 154.1 | -175.9 | 57 | -179.8 | -149.4 | 0 | 0 | 113.3 | Y1918 T1919 I1921 K1924 | E1844-Y1918 VanDerWaalsContact C-CZ 3.48Å; E1844-Y1918 VanDerWaalsContact N-CE2 3.33Å; E1844-Y1918 PolarHBondContact O-OH 3.04Å; E1844-T1919 CarbonylContact C-O 3.52Å; E1844-T1919 WeakPolarHBondContact CA-O 3.3Å; E1844-T1919 WeakPolarHBondContact CB-O 3.35Å; E1844-I1921 HydrophobicContact CB-CD1 3.76Å; E1844-I1921 HydrophobicContact CB-CG1 4.32Å; E1844-I1921 HydrophobicContact CG-CD1 4.27Å; E1844-I1921 VanDerWaalsContact OE2-CD1 3.28Å; E1844-I1921 WeakPolarHBondContact OE2-CD1 3.39Å; E1844-K1924 HydrophobicContact CG-CD 4.32Å; E1844-K1924 VanDerWaalsContact OE1-CE 3.29Å; E1844-K1924 WeakPolarHBondContact OE1-CE 3.32Å; E1844-K1924 IonicContact OE1-NZ 3.16Å; E1844-K1924 PolarHBondContact OE1-NZ 3.12Å |
| 1845 | G | 87.2 | Confident | 84.9 | Confident | 2.8 Ų | 2.8 | 36.5 Ų | 36.5 | 3% | 0.029 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.1 | -164.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | Y1918 T1919 Y1920 I1921 | G1845-Y1918 VanDerWaalsContact CA-OH 3.27Å; G1845-Y1918 WeakPolarHBondContact CA-OH 3.33Å; G1845-Y1918 PolarHBondContact N-OH 2.9Å; G1845-Y1918 VanDerWaalsContact N-OH 3.13Å; G1845-T1919 PolarHBondContact N-O 3.1Å; G1845-Y1920 CarbonylContact O-C 3.57Å; G1845-Y1920 WeakPolarHBondContact O-CA 3.19Å; G1845-I1921 PolarHBondContact O-N 2.96Å |
| 1846 | S | 87.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -80.2 | 140.8 | -167 | 174 | 0 | 0 | 0 | 0 | 114.8 | A1848 G1849 T1851 Y1920 K1924 T1925 Y2003 Y2005 | S1846-A1848 VanDerWaalsContact C-N 3.25Å; S1846-A1848 PolarHBondContact O-N 3.02Å; S1846-A1848 WeakPolarHBondContact OG-CB 3.24Å; S1846-A1848 PolarHBondContact OG-N 3.04Å; S1846-A1848 VanDerWaalsContact OG-N 3.15Å; S1846-G1849 PolarHBondContact O-N 3.03Å; S1846-T1851 PolarHBondContact N-OG1 3.13Å; S1846-T1851 VanDerWaalsContact N-OG1 3.11Å; S1846-Y1920 WeakPolarHBondContact O-CD1 3.34Å; S1846-Y1920 VanDerWaalsContact O-CE1 3.32Å; S1846-Y1920 WeakPolarHBondContact O-CE1 3.25Å; S1846-K1924 WeakPolarHBondContact CA-O 3.3Å; S1846-K1924 WeakPolarHBondContact CB-O 3.36Å; S1846-K1924 PolarHBondContact OG-O 3.2Å; S1846-T1925 WeakPolarHBondContact OG-CA 3.28Å; S1846-T1925 WeakPolarHBondContact OG-CG2 3.39Å; S1846-T1925 PolarHBondContact OG-OG1 3.18Å; S1846-Y2003 WeakPolarHBondContact CB-O 3.26Å; S1846-Y2003 PolarHBondContact N-O 2.87Å; S1846-Y2005 PolarHBondContact OG-O 2.77Å | ||
| 1847 | F | 88.3 | Confident | 85.5 | Confident | 5 Ų | 5 | 36 Ų | 36 | 2% | 0.022 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.6 | 171.4 | -82.1 | -75.2 | 0 | 0 | 0 | 114 | G1849 E1892 Q1893 L1894 Y1896 L1899 Y1902 Y1920 I1921 S1922 T1925 | F1847-G1849 PolarHBondContact O-N 2.8Å; F1847-E1892 CarbonylContact O-C 3.56Å; F1847-E1892 WeakPolarHBondContact O-CA 3.37Å; F1847-Q1893 HydrophobicContact CD1-CB 4.17Å; F1847-Q1893 WeakPolarHBondContact CD1-O 3.4Å; F1847-Q1893 CarbonylContact O-C 3.48Å; F1847-Q1893 PolarHBondContact O-N 3.08Å; F1847-L1894 PolarHBondContact O-N 2.91Å; F1847-Y1896 VanDerWaalsContact CE1-C 3.45Å; F1847-Y1896 HydrophobicContact CE1-CD2 4.32Å; F1847-Y1896 HydrophobicContact CE1-CG 4.45Å; F1847-Y1896 VanDerWaalsContact CE1-O 3.27Å; F1847-Y1896 WeakPolarHBondContact CE1-O 3.27Å; F1847-Y1896 VanDerWaalsContact CZ-O 3.26Å; F1847-Y1896 WeakPolarHBondContact CZ-O 3.41Å; F1847-L1899 VanDerWaalsContact CE2-O 3.31Å; F1847-L1899 WeakPolarHBondContact CE2-O 3.45Å; F1847-L1899 HydrophobicContact CZ-CB 4.47Å; F1847-L1899 VanDerWaalsContact CZ-O 3.28Å; F1847-L1899 WeakPolarHBondContact CZ-O 3.22Å; F1847-Y1902 HydrophobicContact CE1-CG 4.48Å; F1847-Y1920 HydrophobicContact CD1-CG 4.47Å; F1847-I1921 VanDerWaalsContact CE2-C 3.47Å; F1847-S1922 VanDerWaalsContact CE2-N 3.3Å; F1847-T1925 HydrophobicContact CB-CG2 4.23Å; F1847-T1925 PolarHBondContact N-OG1 3.18Å; F1847-T1925 VanDerWaalsContact N-OG1 3.11Å |
| 1848 | A | 87.1 | Confident | 85.4 | Confident | 8.8 Ų | 8.8 | 35.2 Ų | 35.2 | 7% | 0.073 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -0.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1846 L1894 T1925 Y2005 L2007 | S1846-A1848 VanDerWaalsContact C-N 3.25Å; S1846-A1848 PolarHBondContact O-N 3.02Å; S1846-A1848 WeakPolarHBondContact OG-CB 3.24Å; S1846-A1848 PolarHBondContact OG-N 3.04Å; S1846-A1848 VanDerWaalsContact OG-N 3.15Å; A1848-L1894 HydrophobicContact CB-CD2 4.27Å; A1848-T1925 HydrophobicContact CB-CG2 4.08Å; A1848-Y2005 VanDerWaalsContact CB-O 3.28Å; A1848-Y2005 WeakPolarHBondContact CB-O 3.35Å; A1848-L2007 HydrophobicContact CB-CD2 4.11Å; A1848-L2007 HydrophobicContact CB-CG 4.27Å |
| 1849 | G | 87.7 | Confident | 85.5 | Confident | 0.8 Ų | 0.8 | 30.3 Ų | 30.3 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | trans | 70.7 | -170.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S1846 F1847 T1851 T1890 G2004 Y2005 | S1846-G1849 PolarHBondContact O-N 3.03Å; F1847-G1849 PolarHBondContact O-N 2.8Å; G1849-T1851 VanDerWaalsContact C-N 3.29Å; G1849-T1851 PolarHBondContact O-N 2.99Å; G1849-T1890 CarbonylContact C-O 3.53Å; G1849-T1890 VanDerWaalsContact CA-O 3.31Å; G1849-T1890 WeakPolarHBondContact CA-O 3.38Å; G1849-G2004 CarbonylContact O-C 3.5Å; G1849-G2004 VanDerWaalsContact O-CA 3.29Å; G1849-G2004 WeakPolarHBondContact O-CA 3.32Å; G1849-Y2005 PolarHBondContact O-N 2.91Å | ||
| 1850 | G | 86.7 | Confident | 85.3 | Confident | 1.4 Ų | 1.4 | 26.6 Ų | 26.6 | 1% | 0.014 | 14% | 0.14 | C | C | . | . | trans | 86 | -4.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | I1852 T1890 Y2005 | G1850-I1852 PolarHBondContact O-N 2.91Å; G1850-T1890 PolarHBondContact N-O 3.22Å; G1850-T1890 PolarHBondContact N-OG1 3.1Å; G1850-Y2005 VanDerWaalsContact CA-CD2 3.44Å; G1850-Y2005 VanDerWaalsContact CA-CE2 3.45Å | ||
| 1851 | T | 88.1 | Confident | 84.9 | Confident | 2.8 Ų | 2.8 | 27.7 Ų | 27.7 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | trans | -62.4 | 128.4 | 173.3 | -45.1 | 0 | 0 | 0 | 0 | 109.5 | P1842 S1846 G1849 I1853 R1889 T1890 Y1918 I2002 Y2003 | P1842-T1851 HydrophobicContact CG-CG2 4.14Å; S1846-T1851 PolarHBondContact N-OG1 3.13Å; S1846-T1851 VanDerWaalsContact N-OG1 3.11Å; G1849-T1851 VanDerWaalsContact C-N 3.29Å; G1849-T1851 PolarHBondContact O-N 2.99Å; T1851-I1853 HydrophobicContact CG2-CG1 4.47Å; T1851-I1853 PolarHBondContact O-N 2.87Å; T1851-R1889 CarbonylContact O-C 3.51Å; T1851-R1889 VanDerWaalsContact O-CA 3.29Å; T1851-R1889 WeakPolarHBondContact O-CA 3.42Å; T1851-T1890 VanDerWaalsContact CB-OG1 3.31Å; T1851-T1890 WeakPolarHBondContact CB-OG1 3.42Å; T1851-T1890 PolarHBondContact N-OG1 2.95Å; T1851-T1890 VanDerWaalsContact N-OG1 3.09Å; T1851-T1890 PolarHBondContact O-N 3.03Å; T1851-T1890 PolarHBondContact O-OG1 3.22Å; T1851-T1890 PolarHBondContact OG1-OG1 3.22Å; T1851-Y1918 WeakPolarHBondContact CB-OH 3.29Å; T1851-Y1918 WeakPolarHBondContact CG2-OH 3.47Å; T1851-Y1918 PolarHBondContact OG1-OH 3.48Å; T1851-I2002 WeakPolarHBondContact CG2-O 3.27Å; T1851-Y2003 PolarHBondContact OG1-O 2.91Å | ||
| 1852 | I | 86.6 | Confident | 84.4 | Confident | 42.8 Ų | 42.8 | 23.6 Ų | 23.6 | 22% | 0.219 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 123.7 | 179.1 | -60.6 | 175.9 | 0 | 0 | 0 | 109.1 | P1842 G1850 I1877 L1887 C1888 R1889 K1961 | P1842-I1852 WeakPolarHBondContact CD-O 3.35Å; G1850-I1852 PolarHBondContact O-N 2.91Å; I1852-I1877 HydrophobicContact CB-CD1 4.47Å; I1852-I1877 HydrophobicContact CD1-CD1 4.13Å; I1852-I1877 HydrophobicContact CG1-CD1 4.06Å; I1852-I1877 HydrophobicContact CG2-CD1 3.91Å; I1852-L1887 HydrophobicContact CG2-CB 4.46Å; I1852-L1887 HydrophobicContact CG2-CD2 3.92Å; I1852-C1888 CarbonylContact C-O 3.55Å; I1852-C1888 WeakPolarHBondContact CA-O 3.33Å; I1852-R1889 HydrophobicContact CG1-CG 4.16Å; I1852-K1961 HydrophobicContact CD1-CB 4.26Å; I1852-K1961 HydrophobicContact CD1-CD 4.04Å; I1852-K1961 HydrophobicContact CD1-CG 4.47Å |
| 1853 | I | 87.5 | Confident | 83.6 | Confident | 0.2 Ų | 0.2 | 25.8 Ų | 25.8 | 0% | 0.001 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 137.1 | 178 | -60.2 | 174.2 | 0 | 0 | 0 | 109.8 | I1840 D1841 T1851 F1855 F1869 L1887 C1888 T1890 Y1918 | I1840-I1853 HydrophobicContact CD1-CD1 4.44Å; I1840-I1853 HydrophobicContact CD1-CG2 3.68Å; I1840-I1853 HydrophobicContact CG1-CG2 3.32Å; I1840-I1853 VanDerWaalsContact CG1-CG2 3.41Å; D1841-I1853 CarbonylContact O-C 3.49Å; T1851-I1853 HydrophobicContact CG2-CG1 4.47Å; T1851-I1853 PolarHBondContact O-N 2.87Å; I1853-F1855 HydrophobicContact CB-CE2 4.11Å; I1853-F1855 HydrophobicContact CB-CZ 4.29Å; I1853-F1855 HydrophobicContact CG2-CD2 4.14Å; I1853-F1855 HydrophobicContact CG2-CE1 4.22Å; I1853-F1855 HydrophobicContact CG2-CE2 3.55Å; I1853-F1855 VanDerWaalsContact CG2-CE2 3.42Å; I1853-F1855 HydrophobicContact CG2-CZ 3.93Å; I1853-F1869 HydrophobicContact CD1-CE1 3.56Å; I1853-F1869 VanDerWaalsContact CD1-CE1 3.44Å; I1853-F1869 HydrophobicContact CD1-CE2 4.38Å; I1853-F1869 HydrophobicContact CD1-CZ 3.32Å; I1853-L1887 CarbonylContact O-C 3.47Å; I1853-L1887 VanDerWaalsContact O-CA 3.28Å; I1853-L1887 WeakPolarHBondContact O-CA 3.44Å; I1853-C1888 PolarHBondContact N-O 3.02Å; I1853-C1888 PolarHBondContact O-N 3.05Å; I1853-T1890 HydrophobicContact CD1-CG2 3.22Å; I1853-T1890 HydrophobicContact CG1-CG2 3.92Å; I1853-Y1918 HydrophobicContact CD1-CD2 3.67Å; I1853-Y1918 HydrophobicContact CD1-CE1 4.42Å; I1853-Y1918 HydrophobicContact CD1-CE2 3.34Å; I1853-Y1918 VanDerWaalsContact CD1-CE2 3.43Å; I1853-Y1918 HydrophobicContact CD1-CG 4.34Å; I1853-Y1918 HydrophobicContact CG1-CE2 4Å |
| 1854 | K | 87.6 | Confident | 82.9 | Confident | 65.2 Ų | 65.2 | 26.9 Ų | 26.9 | 28% | 0.283 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.7 | 175.8 | -168.4 | 178 | -171.7 | -172.7 | 0 | 111.4 | I1840 D1841 H1856 Q1885 I1886 L1887 | I1840-K1854 CarbonylContact C-O 3.58Å; I1840-K1854 VanDerWaalsContact CA-O 3.26Å; I1840-K1854 WeakPolarHBondContact CA-O 3.32Å; D1841-K1854 PolarHBondContact N-O 3.07Å; D1841-K1854 VanDerWaalsContact N-O 3.07Å; D1841-K1854 PolarHBondContact O-N 3.02Å; K1854-H1856 VanDerWaalsContact CD-NE2 3.28Å; K1854-H1856 WeakPolarHBondContact CD-NE2 3.1Å; K1854-H1856 WeakPolarHBondContact CE-CE1 3.29Å; K1854-H1856 VanDerWaalsContact CE-NE2 3.33Å; K1854-H1856 WeakPolarHBondContact CE-NE2 3.32Å; K1854-H1856 PolarHBondContact NZ-CE1 2.88Å; K1854-H1856 VanDerWaalsContact NZ-CE1 3.25Å; K1854-H1856 PolarHBondContact NZ-NE2 2.93Å; K1854-H1856 VanDerWaalsContact NZ-NE2 3.14Å; K1854-Q1885 VanDerWaalsContact NZ-OE1 3.08Å; K1854-I1886 CarbonylContact C-O 3.55Å; K1854-I1886 WeakPolarHBondContact CA-O 3.32Å; K1854-L1887 HydrophobicContact CB-CD2 3.75Å; K1854-L1887 HydrophobicContact CD-CD2 4.41Å; K1854-L1887 HydrophobicContact CG-CD2 3.88Å; K1854-L1887 HydrophobicContact CG-CG 4.43Å |
| 1855 | F | 87.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 137.8 | 173.9 | -65.1 | -96.4 | 0 | 0 | 0 | 109.8 | F1837 T1839 I1840 I1853 I1867 F1869 Q1885 I1886 C1888 I1906 M1914 | F1837-F1855 HydrophobicContact CD1-CB 4.09Å; F1837-F1855 AromaticContact CD1-CD1 3.72Å; F1837-F1855 HydrophobicContact CD1-CD1 3.96Å; F1837-F1855 AromaticContact CD1-CG 3.94Å; F1837-F1855 HydrophobicContact CD1-CG 4.23Å; F1837-F1855 HydrophobicContact CE1-CB 4.12Å; F1837-F1855 AromaticContact CE1-CD1 3.96Å; F1837-F1855 HydrophobicContact CE1-CD1 4.16Å; F1837-F1855 AromaticContact CE1-CG 3.97Å; F1837-F1855 HydrophobicContact CE1-CG 4.23Å; T1839-F1855 VanDerWaalsContact O-CA 3.27Å; T1839-F1855 WeakPolarHBondContact O-CA 3.43Å; I1840-F1855 HydrophobicContact CB-CD1 4.34Å; I1840-F1855 HydrophobicContact CB-CE1 4.3Å; I1840-F1855 HydrophobicContact CD1-CD1 4.41Å; I1840-F1855 HydrophobicContact CD1-CE1 3.61Å; I1840-F1855 HydrophobicContact CD1-CE2 4.28Å; I1840-F1855 HydrophobicContact CD1-CZ 3.64Å; I1840-F1855 HydrophobicContact CG1-CD1 4.25Å; I1840-F1855 HydrophobicContact CG1-CE1 3.9Å; I1840-F1855 HydrophobicContact CG1-CE2 4.33Å; I1840-F1855 HydrophobicContact CG1-CZ 4.05Å; I1853-F1855 HydrophobicContact CB-CE2 4.11Å; I1853-F1855 HydrophobicContact CB-CZ 4.29Å; I1853-F1855 HydrophobicContact CG2-CD2 4.14Å; I1853-F1855 HydrophobicContact CG2-CE1 4.22Å; I1853-F1855 HydrophobicContact CG2-CE2 3.55Å; I1853-F1855 VanDerWaalsContact CG2-CE2 3.42Å; I1853-F1855 HydrophobicContact CG2-CZ 3.93Å; F1855-I1867 HydrophobicContact CD1-CD1 4.38Å; F1855-I1867 HydrophobicContact CD2-CD1 3.72Å; F1855-I1867 HydrophobicContact CE1-CD1 4.31Å; F1855-I1867 HydrophobicContact CE1-CG2 4.17Å; F1855-I1867 HydrophobicContact CE2-CD1 3.69Å; F1855-I1867 HydrophobicContact CE2-CG2 4.23Å; F1855-I1867 HydrophobicContact CG-CD1 4.09Å; F1855-I1867 HydrophobicContact CZ-CD1 3.99Å; F1855-I1867 HydrophobicContact CZ-CG2 3.66Å; F1855-F1869 HydrophobicContact CZ-CE2 4.31Å; F1855-F1869 AromaticContact CZ-CZ 3.93Å; F1855-F1869 HydrophobicContact CZ-CZ 4.08Å; F1855-Q1885 CarbonylContact O-C 3.44Å; F1855-Q1885 VanDerWaalsContact O-CA 3.26Å; F1855-Q1885 WeakPolarHBondContact O-CA 3.3Å; F1855-Q1885 WeakPolarHBondContact O-CB 3.42Å; F1855-I1886 HydrophobicContact CB-CB 4.25Å; F1855-I1886 HydrophobicContact CB-CG2 3.49Å; F1855-I1886 VanDerWaalsContact CB-CG2 3.46Å; F1855-I1886 WeakPolarHBondContact CB-O 3.29Å; F1855-I1886 HydrophobicContact CD2-CG2 4.37Å; F1855-I1886 HydrophobicContact CG-CG2 4.09Å; F1855-I1886 PolarHBondContact N-O 3.08Å; F1855-I1886 PolarHBondContact O-N 3.1Å; F1855-C1888 VanDerWaalsContact CE2-SG 3.57Å; F1855-C1888 WeakPolarHBondContact CE2-SG 3.28Å; F1855-I1906 HydrophobicContact CE1-CG2 4.25Å; F1855-I1906 HydrophobicContact CZ-CG2 4.38Å; F1855-M1914 HydrophobicContact CD1-CE 3.85Å; F1855-M1914 VanDerWaalsContact CD1-CE 3.46Å; F1855-M1914 HydrophobicContact CD1-SD 4.12Å; F1855-M1914 HydrophobicContact CE1-CE 3.55Å; F1855-M1914 VanDerWaalsContact CE1-CE 3.42Å; F1855-M1914 HydrophobicContact CE1-SD 4.01Å |
| 1856 | H | 83.6 | Confident | 82.4 | Confident | 63.6 Ų | 63.6 | 27.6 Ų | 27.6 | 29% | 0.294 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 148.3 | 175.5 | -77 | -80.3 | 0 | 0 | 0 | 112.1 | F1837 N1838 T1839 K1854 L1860 D1884 | F1837-H1856 CarbonylContact C-O 3.57Å; F1837-H1856 WeakPolarHBondContact CA-O 3.33Å; N1838-H1856 PolarHBondContact N-O 2.96Å; T1839-H1856 PolarHBondContact N-O 3.19Å; T1839-H1856 PolarHBondContact O-N 2.99Å; T1839-H1856 WeakPolarHBondContact OG1-CB 3.44Å; K1854-H1856 VanDerWaalsContact CD-NE2 3.28Å; K1854-H1856 WeakPolarHBondContact CD-NE2 3.1Å; K1854-H1856 WeakPolarHBondContact CE-CE1 3.29Å; K1854-H1856 VanDerWaalsContact CE-NE2 3.33Å; K1854-H1856 WeakPolarHBondContact CE-NE2 3.32Å; K1854-H1856 PolarHBondContact NZ-CE1 2.88Å; K1854-H1856 VanDerWaalsContact NZ-CE1 3.25Å; K1854-H1856 PolarHBondContact NZ-NE2 2.93Å; K1854-H1856 VanDerWaalsContact NZ-NE2 3.14Å; H1856-L1860 VanDerWaalsContact C-CD1 3.44Å; H1856-D1884 CarbonylContact C-O 3.53Å; H1856-D1884 VanDerWaalsContact CA-O 3.29Å; H1856-D1884 WeakPolarHBondContact CA-O 3.29Å; H1856-D1884 PolarHBondContact ND1-O 3.04Å |
| 1857 | G | 79.4 | Confident | 82.4 | Confident | 11.2 Ų | 11.2 | 27.6 Ų | 27.6 | 12% | 0.115 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.2 | -156.4 | -173 | 0 | 0 | 0 | 0 | 0 | 116.6 | I1836 L1860 D1884 | I1836-G1857 CarbonylContact O-C 3.55Å; I1836-G1857 WeakPolarHBondContact O-CA 3.35Å; G1857-L1860 VanDerWaalsContact N-CD1 3.29Å; G1857-D1884 PolarHBondContact N-O 2.99Å; G1857-D1884 VanDerWaalsContact O-CA 3.3Å; G1857-D1884 WeakPolarHBondContact O-CA 3.21Å |
| 1858 | N | 77.3 | Confident | 82.3 | Confident | 9.6 Ų | 9.6 | 29.6 Ų | 29.6 | 5% | 0.051 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 144.3 | 172.5 | -176.2 | 61.6 | 0 | 0 | 0 | 109.9 | I1750 I1751 S1802 N1833 H1834 I1835 I1836 L1860 N1883 | I1750-N1858 PolarHBondContact O-ND2 2.86Å; I1750-N1858 VanDerWaalsContact O-ND2 3.14Å; I1751-N1858 WeakPolarHBondContact O-CB 3.1Å; S1802-N1858 WeakPolarHBondContact CB-OD1 3.3Å; S1802-N1858 PolarHBondContact OG-OD1 3.34Å; N1833-N1858 PolarHBondContact OD1-ND2 3.02Å; N1833-N1858 VanDerWaalsContact OD1-ND2 3.11Å; H1834-N1858 PolarHBondContact O-ND2 3.06Å; I1835-N1858 WeakPolarHBondContact CA-O 3.36Å; I1836-N1858 HydrophobicContact CB-CB 4.33Å; I1836-N1858 HydrophobicContact CG1-CB 4.47Å; I1836-N1858 PolarHBondContact N-O 2.86Å; I1836-N1858 VanDerWaalsContact N-O 3.1Å; I1836-N1858 PolarHBondContact O-N 2.5Å; N1858-L1860 PolarHBondContact O-N 3.1Å; N1858-N1883 CarbonylContact C-O 3.41Å |
| 1859 | N | 77.6 | Confident | 82.3 | Confident | 4.8 Ų | 4.8 | 29.2 Ų | 29.2 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 53.4 | 35.5 | -177.2 | -163.3 | 15.7 | 0 | 0 | 0 | 113.3 | N1833 H1834 I1835 N1861 H1862 N1883 | N1833-N1859 PolarHBondContact ND2-ND2 2.75Å; N1833-N1859 PolarHBondContact O-ND2 3.15Å; H1834-N1859 VanDerWaalsContact O-CB 3.28Å; H1834-N1859 WeakPolarHBondContact O-CB 3.4Å; I1835-N1859 HydrophobicContact CB-CB 4.47Å; I1835-N1859 HydrophobicContact CG1-CB 4.13Å; I1835-N1859 WeakPolarHBondContact CG1-ND2 3.11Å; N1859-N1861 VanDerWaalsContact C-N 3.27Å; N1859-N1861 PolarHBondContact O-N 3.08Å; N1859-H1862 WeakPolarHBondContact O-CB 3.34Å; N1859-H1862 PolarHBondContact O-N 3.07Å; N1859-N1883 VanDerWaalsContact CA-OD1 3.25Å; N1859-N1883 WeakPolarHBondContact CA-OD1 3.43Å; N1859-N1883 PolarHBondContact N-O 3.1Å |
| 1860 | L | 80.2 | Confident | 82 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -6.3 | -177.4 | -66.9 | -164.2 | 0 | 0 | 0 | 114 | I1835 I1836 F1837 H1856 G1857 N1858 H1862 I1865 R1881 T1882 N1883 I1886 | I1835-L1860 HydrophobicContact CG2-CD2 4.32Å; I1836-L1860 VanDerWaalsContact O-CD2 3.25Å; I1836-L1860 WeakPolarHBondContact O-CD2 3.38Å; F1837-L1860 HydrophobicContact CD1-CD1 4.38Å; F1837-L1860 HydrophobicContact CD1-CD2 4.01Å; F1837-L1860 HydrophobicContact CD2-CD2 3.88Å; F1837-L1860 HydrophobicContact CE1-CD1 4.41Å; F1837-L1860 HydrophobicContact CE1-CD2 3.8Å; F1837-L1860 HydrophobicContact CE2-CD2 3.65Å; F1837-L1860 HydrophobicContact CG-CD2 4.06Å; F1837-L1860 HydrophobicContact CZ-CD2 3.62Å; H1856-L1860 VanDerWaalsContact C-CD1 3.44Å; G1857-L1860 VanDerWaalsContact N-CD1 3.29Å; N1858-L1860 PolarHBondContact O-N 3.1Å; L1860-H1862 VanDerWaalsContact C-N 3.3Å; L1860-H1862 PolarHBondContact O-N 3.17Å; L1860-I1865 HydrophobicContact CD2-CD1 4.35Å; L1860-I1865 WeakPolarHBondContact O-CD1 3.39Å; L1860-R1881 VanDerWaalsContact O-CZ 3.3Å; L1860-R1881 PolarHBondContact O-NE 2.82Å; L1860-R1881 PolarHBondContact O-NH2 2.95Å; L1860-T1882 CarbonylContact C-O 3.52Å; L1860-N1883 WeakPolarHBondContact CB-O 3.42Å; L1860-N1883 PolarHBondContact N-O 3.02Å; L1860-I1886 HydrophobicContact CB-CB 4.49Å; L1860-I1886 HydrophobicContact CB-CD1 3.82Å; L1860-I1886 HydrophobicContact CB-CG1 3.93Å; L1860-I1886 HydrophobicContact CD1-CD1 4.41Å; L1860-I1886 HydrophobicContact CD1-CG2 4.19Å; L1860-I1886 HydrophobicContact CD2-CD1 4.32Å; L1860-I1886 HydrophobicContact CG-CD1 4.42Å; L1860-I1886 WeakPolarHBondContact O-CD1 3.3Å; L1860-I1886 VanDerWaalsContact O-CG1 3.25Å; L1860-I1886 WeakPolarHBondContact O-CG1 3.25Å |
| 1861 | N | 76 | Confident | 81.7 | Confident | 43.8 Ų | 43.8 | 39.1 Ų | 39.1 | 23% | 0.234 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -2.3 | 172.6 | 109.8 | 5.1 | 0 | 0 | 0 | 113.3 | P1805 N1859 S1863 R1881 T1882 N1883 | P1805-N1861 WeakPolarHBondContact CD-ND2 3.38Å; P1805-N1861 VanDerWaalsContact CD-OD1 3.23Å; P1805-N1861 WeakPolarHBondContact CD-OD1 3.29Å; P1805-N1861 HydrophobicContact CG-CB 4.23Å; P1805-N1861 WeakPolarHBondContact CG-ND2 3.41Å; P1805-N1861 WeakPolarHBondContact CG-OD1 3.48Å; N1859-N1861 VanDerWaalsContact C-N 3.27Å; N1859-N1861 PolarHBondContact O-N 3.08Å; N1861-S1863 PolarHBondContact O-N 2.97Å; N1861-R1881 VanDerWaalsContact C-NH2 3.3Å; N1861-R1881 HydrophobicContact CB-CG 4.33Å; N1861-R1881 PolarHBondContact O-NH2 3.15Å; N1861-R1881 VanDerWaalsContact OD1-CD 3.24Å; N1861-R1881 WeakPolarHBondContact OD1-CD 3.24Å; N1861-R1881 WeakPolarHBondContact OD1-CG 3.28Å; N1861-R1881 PolarHBondContact OD1-NE 3.48Å; N1861-T1882 PolarHBondContact N-O 3.34Å; N1861-N1883 WeakPolarHBondContact CB-OD1 3.23Å; N1861-N1883 VanDerWaalsContact CG-CG 3.45Å; N1861-N1883 PolarHBondContact N-OD1 3.04Å; N1861-N1883 VanDerWaalsContact ND2-CG 3.34Å; N1861-N1883 PolarHBondContact ND2-N 2.95Å; N1861-N1883 PolarHBondContact ND2-ND2 2.74Å; N1861-N1883 PolarHBondContact ND2-OD1 3.05Å; N1861-N1883 PolarHBondContact OD1-OD1 3.12Å |
| 1862 | H | 73.6 | Confident | 81.6 | Confident | 19.6 Ų | 19.6 | 42.6 Ų | 42.6 | 9% | 0.091 | 22% | 0.221 | C | C | . | . | trans | -58.3 | 125 | -177.8 | -170.9 | -82.9 | 0 | 0 | 0 | 112.5 | S1808 D1809 I1835 N1859 L1860 N1864 I1865 R1881 | S1808-H1862 VanDerWaalsContact C-NE2 3.33Å; D1809-H1862 PolarHBondContact N-NE2 2.97Å; D1809-H1862 IonicContact OD1-CD2 3.21Å; D1809-H1862 IonicContact OD1-CE1 3.78Å; D1809-H1862 IonicContact OD1-NE2 3.59Å; D1809-H1862 PolarHBondContact OD1-NE2 3.13Å; I1835-H1862 HydrophobicContact CD1-CB 3.67Å; I1835-H1862 VanDerWaalsContact CD1-CG 3.45Å; I1835-H1862 HydrophobicContact CG1-CB 4.23Å; N1859-H1862 WeakPolarHBondContact O-CB 3.34Å; N1859-H1862 PolarHBondContact O-N 3.07Å; L1860-H1862 VanDerWaalsContact C-N 3.3Å; L1860-H1862 PolarHBondContact O-N 3.17Å; H1862-N1864 PolarHBondContact ND1-N 3.1Å; H1862-N1864 PolarHBondContact O-N 3.12Å; H1862-N1864 VanDerWaalsContact O-N 3.11Å; H1862-I1865 HydrophobicContact CB-CD1 3.99Å; H1862-I1865 HydrophobicContact CB-CG1 4.22Å; H1862-I1865 WeakPolarHBondContact O-CG1 3.28Å; H1862-I1865 PolarHBondContact O-N 2.93Å; H1862-I1865 VanDerWaalsContact O-N 3.15Å; H1862-R1881 PolarHBondContact O-NH2 3.03Å | ||
| 1863 | S | 70.7 | Confident | 81.7 | Confident | 86 Ų | 86 | 45.1 Ų | 45.1 | 60% | 0.601 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -26.4 | -168.5 | 56.8 | 0 | 0 | 0 | 0 | 115 | S1807 N1861 I1865 | S1807-S1863 WeakPolarHBondContact CB-OG 3.48Å; N1861-S1863 PolarHBondContact O-N 2.97Å; S1863-I1865 VanDerWaalsContact C-N 3.33Å; S1863-I1865 PolarHBondContact O-N 3.36Å |
| 1864 | N | 73.7 | Confident | 81.8 | Confident | 108.8 Ų | 108.8 | 45.1 Ų | 45.1 | 58% | 0.582 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 5.2 | -174.7 | -61.2 | -15 | 0 | 0 | 0 | 115.2 | H1862 K1866 S1909 | H1862-N1864 PolarHBondContact ND1-N 3.1Å; H1862-N1864 PolarHBondContact O-N 3.12Å; H1862-N1864 VanDerWaalsContact O-N 3.11Å; N1864-K1866 PolarHBondContact O-N 3.27Å; N1864-K1866 VanDerWaalsContact O-N 3.15Å; N1864-S1909 PolarHBondContact O-OG 3.09Å |
| 1865 | I | 80.4 | Confident | 81.8 | Confident | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | trans | -72 | 119.3 | 177.5 | -67.1 | 171.7 | 0 | 0 | 0 | 109.7 | I1835 F1837 L1860 H1862 S1863 I1867 I1876 I1886 I1908 S1909 | I1835-I1865 HydrophobicContact CD1-CD1 4.28Å; I1835-I1865 HydrophobicContact CD1-CG1 4.08Å; I1835-I1865 HydrophobicContact CG2-CD1 3.83Å; I1835-I1865 HydrophobicContact CG2-CG1 4.29Å; F1837-I1865 HydrophobicContact CE2-CD1 4.21Å; F1837-I1865 HydrophobicContact CE2-CG2 4.41Å; F1837-I1865 HydrophobicContact CZ-CD1 4.22Å; F1837-I1865 HydrophobicContact CZ-CG1 4.41Å; F1837-I1865 HydrophobicContact CZ-CG2 3.71Å; L1860-I1865 HydrophobicContact CD2-CD1 4.35Å; L1860-I1865 WeakPolarHBondContact O-CD1 3.39Å; H1862-I1865 HydrophobicContact CB-CD1 3.99Å; H1862-I1865 HydrophobicContact CB-CG1 4.22Å; H1862-I1865 WeakPolarHBondContact O-CG1 3.28Å; H1862-I1865 PolarHBondContact O-N 2.93Å; H1862-I1865 VanDerWaalsContact O-N 3.15Å; S1863-I1865 VanDerWaalsContact C-N 3.33Å; S1863-I1865 PolarHBondContact O-N 3.36Å; I1865-I1867 HydrophobicContact CG2-CG1 4.25Å; I1865-I1876 HydrophobicContact CG2-CD1 4.41Å; I1865-I1876 VanDerWaalsContact O-CD1 3.27Å; I1865-I1876 WeakPolarHBondContact O-CD1 3.31Å; I1865-I1886 HydrophobicContact CB-CD1 4.42Å; I1865-I1886 HydrophobicContact CD1-CD1 3.98Å; I1865-I1886 HydrophobicContact CG2-CD1 3.82Å; I1865-I1908 HydrophobicContact CG2-CG2 4.43Å; I1865-S1909 WeakPolarHBondContact CA-OG 3.23Å | ||
| 1866 | K | 82.8 | Confident | 81.8 | Confident | 99.8 Ų | 99.8 | 47.7 Ų | 47.7 | 43% | 0.434 | 26% | 0.255 | S | S | . | . | trans | -120.3 | 135.7 | 166.3 | -57.1 | -173.7 | 166 | -146.8 | 0 | 109.2 | N1864 E1873 I1908 S1909 | N1864-K1866 PolarHBondContact O-N 3.27Å; N1864-K1866 VanDerWaalsContact O-N 3.15Å; K1866-E1873 HydrophobicContact CB-CG 4.48Å; K1866-E1873 WeakPolarHBondContact CD-OE1 3.46Å; K1866-E1873 WeakPolarHBondContact CE-OE1 3.34Å; K1866-E1873 WeakPolarHBondContact CG-OE1 3.31Å; K1866-E1873 IonicContact NZ-OE1 3.36Å; K1866-E1873 PolarHBondContact NZ-OE1 3.01Å; K1866-E1873 VanDerWaalsContact NZ-OE1 3.17Å; K1866-E1873 IonicContact NZ-OE2 3.24Å; K1866-E1873 PolarHBondContact NZ-OE2 3.07Å; K1866-I1908 WeakPolarHBondContact O-CA 3.29Å; K1866-S1909 PolarHBondContact N-OG 2.86Å; K1866-S1909 PolarHBondContact O-N 2.95Å | ||
| 1867 | I | 87.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.1 | 179.2 | -56.1 | 173.4 | 0 | 0 | 0 | 107.5 | F1837 F1855 I1865 F1869 C1874 I1886 I1906 | F1837-I1867 HydrophobicContact CE1-CD1 4.26Å; F1855-I1867 HydrophobicContact CD1-CD1 4.38Å; F1855-I1867 HydrophobicContact CD2-CD1 3.72Å; F1855-I1867 HydrophobicContact CE1-CD1 4.31Å; F1855-I1867 HydrophobicContact CE1-CG2 4.17Å; F1855-I1867 HydrophobicContact CE2-CD1 3.69Å; F1855-I1867 HydrophobicContact CE2-CG2 4.23Å; F1855-I1867 HydrophobicContact CG-CD1 4.09Å; F1855-I1867 HydrophobicContact CZ-CD1 3.99Å; F1855-I1867 HydrophobicContact CZ-CG2 3.66Å; I1865-I1867 HydrophobicContact CG2-CG1 4.25Å; I1867-F1869 HydrophobicContact CG2-CD2 4.34Å; I1867-F1869 HydrophobicContact CG2-CE2 3.75Å; I1867-C1874 HydrophobicContact CB-CB 4.17Å; I1867-C1874 HydrophobicContact CG2-CB 4.29Å; I1867-C1874 WeakPolarHBondContact O-CB 3.24Å; I1867-C1874 PolarHBondContact O-N 3.08Å; I1867-I1886 HydrophobicContact CD1-CB 4.43Å; I1867-I1886 HydrophobicContact CD1-CD1 4.38Å; I1867-I1886 HydrophobicContact CD1-CG2 3.86Å; I1867-I1906 HydrophobicContact CG2-CG2 3.83Å |
| 1868 | L | 86.7 | Confident | 81.8 | Confident | 46.8 Ų | 46.8 | 51.1 Ų | 51.1 | 25% | 0.245 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 125.4 | -176.1 | -62.9 | 135.2 | 0 | 0 | 0 | 110.1 | K1872 E1873 I1906 N1907 | L1868-K1872 CarbonylContact C-O 3.55Å; L1868-K1872 WeakPolarHBondContact CA-O 3.36Å; L1868-E1873 HydrophobicContact CD2-CB 4.17Å; L1868-I1906 CarbonylContact O-C 3.52Å; L1868-I1906 VanDerWaalsContact O-CA 3.3Å; L1868-I1906 WeakPolarHBondContact O-CA 3.21Å; L1868-N1907 HydrophobicContact CB-CB 4.29Å; L1868-N1907 WeakPolarHBondContact CB-O 3.38Å; L1868-N1907 HydrophobicContact CD1-CB 4.34Å; L1868-N1907 PolarHBondContact N-O 2.96Å; L1868-N1907 PolarHBondContact O-N 3.08Å |
| 1869 | F | 86.9 | Confident | 81.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 100.6 | 169.9 | -73.5 | -109.1 | 0 | 0 | 0 | 107.1 | I1840 I1853 F1855 I1867 L1871 K1872 C1874 T1890 P1891 V1904 I1906 Y1918 Y1920 | I1840-F1869 HydrophobicContact CD1-CZ 4.45Å; I1853-F1869 HydrophobicContact CD1-CE1 3.56Å; I1853-F1869 VanDerWaalsContact CD1-CE1 3.44Å; I1853-F1869 HydrophobicContact CD1-CE2 4.38Å; I1853-F1869 HydrophobicContact CD1-CZ 3.32Å; F1855-F1869 HydrophobicContact CZ-CE2 4.31Å; F1855-F1869 AromaticContact CZ-CZ 3.93Å; F1855-F1869 HydrophobicContact CZ-CZ 4.08Å; I1867-F1869 HydrophobicContact CG2-CD2 4.34Å; I1867-F1869 HydrophobicContact CG2-CE2 3.75Å; F1869-L1871 VanDerWaalsContact C-N 3.3Å; F1869-L1871 PolarHBondContact O-N 3.12Å; F1869-K1872 PolarHBondContact N-O 2.77Å; F1869-K1872 PolarHBondContact O-N 2.93Å; F1869-K1872 VanDerWaalsContact O-N 3.1Å; F1869-C1874 HydrophobicContact CD2-CB 3.79Å; F1869-C1874 HydrophobicContact CE2-CB 3.64Å; F1869-C1874 VanDerWaalsContact CE2-SG 3.55Å; F1869-C1874 WeakPolarHBondContact CE2-SG 3.29Å; F1869-T1890 HydrophobicContact CD1-CG2 4.46Å; F1869-T1890 HydrophobicContact CE1-CG2 4.28Å; F1869-T1890 HydrophobicContact CZ-CG2 4.35Å; F1869-P1891 HydrophobicContact CB-CG 4.07Å; F1869-V1904 HydrophobicContact CB-CG2 4.15Å; F1869-V1904 HydrophobicContact CD1-CG2 3.8Å; F1869-V1904 HydrophobicContact CG-CG2 4.4Å; F1869-I1906 HydrophobicContact CD1-CG1 4.39Å; F1869-I1906 HydrophobicContact CE1-CD1 4.11Å; F1869-I1906 HydrophobicContact CE1-CG1 4.17Å; F1869-I1906 HydrophobicContact CE2-CG2 4.5Å; F1869-I1906 HydrophobicContact CZ-CD1 4.2Å; F1869-I1906 HydrophobicContact CZ-CG1 4.4Å; F1869-Y1918 AromaticContact CD1-CD1 3.83Å; F1869-Y1918 HydrophobicContact CD1-CD1 3.83Å; F1869-Y1918 HydrophobicContact CD1-CE1 4.46Å; F1869-Y1918 AromaticContact CD1-CG 3.95Å; F1869-Y1918 HydrophobicContact CD1-CG 3.97Å; F1869-Y1918 AromaticContact CE1-CD1 3.73Å; F1869-Y1918 HydrophobicContact CE1-CD1 3.73Å; F1869-Y1918 AromaticContact CE1-CD2 3.91Å; F1869-Y1918 HydrophobicContact CE1-CD2 3.98Å; F1869-Y1918 HydrophobicContact CE1-CE1 4.33Å; F1869-Y1918 HydrophobicContact CE1-CE2 4.46Å; F1869-Y1918 AromaticContact CE1-CG 3.49Å; F1869-Y1918 HydrophobicContact CE1-CG 3.49Å; F1869-Y1918 VanDerWaalsContact CE1-CG 3.45Å; F1869-Y1920 HydrophobicContact CD1-CE2 4.27Å |
| 1870 | N | 82.2 | Confident | 81.2 | Confident | 53.2 Ų | 53.2 | 63.7 Ų | 63.7 | 28% | 0.284 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | -89.1 | -163.3 | -104.9 | -2.2 | 0 | 0 | 0 | 112.3 | K1872 Y1902 V1904 S1905 N1907 | N1870-K1872 PolarHBondContact O-N 3.21Å; N1870-Y1902 PolarHBondContact ND2-OH 3Å; N1870-Y1902 VanDerWaalsContact ND2-OH 3.1Å; N1870-V1904 HydrophobicContact CB-CB 4.11Å; N1870-V1904 HydrophobicContact CB-CG1 4.09Å; N1870-V1904 WeakPolarHBondContact ND2-CG1 3.17Å; N1870-S1905 PolarHBondContact N-O 3.12Å; N1870-S1905 PolarHBondContact OD1-N 3.2Å; N1870-S1905 VanDerWaalsContact OD1-N 3.09Å; N1870-S1905 PolarHBondContact OD1-OG 2.99Å; N1870-N1907 PolarHBondContact O-ND2 3.02Å |
| 1871 | L | 81 | Confident | 81 | Confident | 157.4 Ų | 157.4 | 65.7 Ų | 65.7 | 82% | 0.824 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.5 | -4 | -179.6 | -61 | 177 | 0 | 0 | 0 | 113.9 | F1869 | F1869-L1871 VanDerWaalsContact C-N 3.3Å; F1869-L1871 PolarHBondContact O-N 3.12Å |
| 1872 | K | 86.2 | Confident | 81.2 | Confident | 77 Ų | 77 | 66.2 Ų | 66.2 | 34% | 0.335 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.3 | 179.1 | -66 | -163 | -177.1 | -173.2 | 0 | 110.4 | L1868 F1869 N1870 P1891 E1892 | L1868-K1872 CarbonylContact C-O 3.55Å; L1868-K1872 WeakPolarHBondContact CA-O 3.36Å; F1869-K1872 PolarHBondContact N-O 2.77Å; F1869-K1872 PolarHBondContact O-N 2.93Å; F1869-K1872 VanDerWaalsContact O-N 3.1Å; N1870-K1872 PolarHBondContact O-N 3.21Å; K1872-P1891 HydrophobicContact CB-CB 3.65Å; K1872-P1891 VanDerWaalsContact CB-CB 3.49Å; K1872-P1891 HydrophobicContact CB-CG 3.54Å; K1872-P1891 VanDerWaalsContact CB-CG 3.45Å; K1872-P1891 HydrophobicContact CD-CB 4.07Å; K1872-P1891 HydrophobicContact CD-CG 4.42Å; K1872-P1891 HydrophobicContact CG-CB 4.4Å; K1872-E1892 WeakPolarHBondContact CD-O 3.33Å; K1872-E1892 VanDerWaalsContact CE-O 3.3Å; K1872-E1892 WeakPolarHBondContact CE-O 3.18Å; K1872-E1892 PolarHBondContact NZ-O 3.01Å |
| 1873 | E | 88 | Confident | 81.2 | Confident | 94.2 Ų | 94.2 | 66.4 Ų | 66.4 | 44% | 0.44 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 135.1 | -178 | -169.6 | 165.6 | 176.5 | 0 | 0 | 111.1 | K1866 L1868 | K1866-E1873 HydrophobicContact CB-CG 4.48Å; K1866-E1873 WeakPolarHBondContact CD-OE1 3.46Å; K1866-E1873 WeakPolarHBondContact CE-OE1 3.34Å; K1866-E1873 WeakPolarHBondContact CG-OE1 3.31Å; K1866-E1873 IonicContact NZ-OE1 3.36Å; K1866-E1873 PolarHBondContact NZ-OE1 3.01Å; K1866-E1873 VanDerWaalsContact NZ-OE1 3.17Å; K1866-E1873 IonicContact NZ-OE2 3.24Å; K1866-E1873 PolarHBondContact NZ-OE2 3.07Å; L1868-E1873 HydrophobicContact CD2-CB 4.17Å |
| 1874 | C | 89.6 | Confident | 81.5 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.007 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -81 | 128.7 | 172 | -161.8 | 0 | 0 | 0 | 0 | 109.5 | I1867 F1869 I1876 C1888 R1889 | I1867-C1874 HydrophobicContact CB-CB 4.17Å; I1867-C1874 HydrophobicContact CG2-CB 4.29Å; I1867-C1874 WeakPolarHBondContact O-CB 3.24Å; I1867-C1874 PolarHBondContact O-N 3.08Å; F1869-C1874 HydrophobicContact CD2-CB 3.79Å; F1869-C1874 HydrophobicContact CE2-CB 3.64Å; F1869-C1874 VanDerWaalsContact CE2-SG 3.55Å; F1869-C1874 WeakPolarHBondContact CE2-SG 3.29Å; C1874-I1876 PolarHBondContact O-N 3.05Å; C1874-I1876 VanDerWaalsContact O-N 3.12Å; C1874-C1888 HydrophobicContact CB-CB 3.82Å; C1874-C1888 WeakPolarHBondContact CB-SG 3.2Å; C1874-C1888 VanDerWaalsContact SG-C 3.55Å; C1874-C1888 WeakPolarHBondContact SG-CB 3.2Å; C1874-C1888 CovalentContact SG-SG 2.03Å; C1874-C1888 PolarHBondContact SG-SG 3.16Å; C1874-R1889 CarbonylContact C-O 3.56Å; C1874-R1889 WeakPolarHBondContact CA-O 3.36Å; C1874-R1889 PolarHBondContact SG-O 3.05Å |
| 1875 | S | 88.2 | Confident | 82 | Confident | 78.2 Ų | 78.2 | 62 Ų | 62 | 55% | 0.547 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 105.1 | -177.6 | -50.7 | 0 | 0 | 0 | 0 | 110.8 | I1877 C1888 R1889 | S1875-I1877 PolarHBondContact O-N 2.82Å; S1875-C1888 CarbonylContact O-C 3.51Å; S1875-C1888 VanDerWaalsContact O-CA 3.25Å; S1875-C1888 WeakPolarHBondContact O-CA 3.34Å; S1875-C1888 WeakPolarHBondContact O-CB 3.35Å; S1875-R1889 PolarHBondContact N-O 3.15Å; S1875-R1889 VanDerWaalsContact N-O 3.1Å; S1875-R1889 PolarHBondContact O-N 3.03Å |
| 1876 | I | 86.4 | Confident | 82.3 | Confident | 40.8 Ų | 40.8 | 61.7 Ų | 61.7 | 21% | 0.209 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 132.5 | -179.4 | -64.6 | 170.7 | 0 | 0 | 0 | 110.8 | I1865 C1874 N1878 I1886 L1887 C1888 | I1865-I1876 HydrophobicContact CG2-CD1 4.41Å; I1865-I1876 VanDerWaalsContact O-CD1 3.27Å; I1865-I1876 WeakPolarHBondContact O-CD1 3.31Å; C1874-I1876 PolarHBondContact O-N 3.05Å; C1874-I1876 VanDerWaalsContact O-N 3.12Å; I1876-N1878 PolarHBondContact O-N 3.48Å; I1876-I1886 HydrophobicContact CB-CD1 4.49Å; I1876-I1886 HydrophobicContact CD1-CD1 3.77Å; I1876-I1886 HydrophobicContact CD1-CG2 4.44Å; I1876-I1886 HydrophobicContact CG1-CD1 3.89Å; I1876-I1886 HydrophobicContact CG1-CG1 4.34Å; I1876-I1886 HydrophobicContact CG1-CG2 4.23Å; I1876-I1886 HydrophobicContact CG2-CD1 3.79Å; I1876-I1886 HydrophobicContact CG2-CG1 3.8Å; I1876-I1886 HydrophobicContact CG2-CG2 4.11Å; I1876-L1887 CarbonylContact C-O 3.47Å; I1876-L1887 WeakPolarHBondContact CA-O 3.3Å; I1876-C1888 HydrophobicContact CG1-CB 4.21Å |
| 1877 | I | 84.5 | Confident | 82.6 | Confident | 35.4 Ų | 35.4 | 58.2 Ų | 58.2 | 18% | 0.182 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 101.1 | 174.8 | -53.9 | 174.6 | 0 | 0 | 0 | 107.8 | I1852 S1875 E1879 L1887 R1889 | I1852-I1877 HydrophobicContact CB-CD1 4.47Å; I1852-I1877 HydrophobicContact CD1-CD1 4.13Å; I1852-I1877 HydrophobicContact CG1-CD1 4.06Å; I1852-I1877 HydrophobicContact CG2-CD1 3.91Å; S1875-I1877 PolarHBondContact O-N 2.82Å; I1877-E1879 PolarHBondContact O-N 2.83Å; I1877-L1887 HydrophobicContact CB-CB 4.11Å; I1877-L1887 HydrophobicContact CD1-CB 4.3Å; I1877-L1887 HydrophobicContact CG1-CB 4.44Å; I1877-L1887 PolarHBondContact N-O 3.23Å; I1877-R1889 HydrophobicContact CD1-CG 4.13Å; I1877-R1889 HydrophobicContact CG1-CG 4.35Å |
| 1878 | N | 77.4 | Confident | 82.7 | Confident | 112.6 Ų | 112.6 | 58.2 Ų | 58.2 | 60% | 0.602 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | -27.1 | -173 | -73.8 | -34.7 | 0 | 0 | 0 | 114.3 | I1876 N1880 R1881 | I1876-N1878 PolarHBondContact O-N 3.48Å; N1878-N1880 PolarHBondContact O-N 3.08Å; N1878-N1880 VanDerWaalsContact O-N 3.1Å; N1878-R1881 WeakPolarHBondContact O-CB 3.37Å; N1878-R1881 PolarHBondContact O-N 3.14Å; N1878-R1881 VanDerWaalsContact O-N 3.11Å |
| 1879 | E | 74.8 | Confident | 82.8 | Confident | 180.4 Ų | 180.4 | 58.5 Ų | 58.5 | 84% | 0.843 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.9 | -25.2 | -173.8 | -67.4 | 171 | -171.7 | 0 | 0 | 113.7 | I1877 | I1877-E1879 PolarHBondContact O-N 2.83Å |
| 1880 | N | 68.7 | Low | 83 | Confident | 96.8 Ų | 96.8 | 58.7 Ų | 58.7 | 52% | 0.518 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 19.2 | -178.6 | -71.4 | -14.6 | 0 | 0 | 0 | 112.9 | N1878 T1882 Q1885 L1887 | N1878-N1880 PolarHBondContact O-N 3.08Å; N1878-N1880 VanDerWaalsContact O-N 3.1Å; N1880-T1882 PolarHBondContact O-N 3.07Å; N1880-Q1885 WeakPolarHBondContact O-CG 3.41Å; N1880-Q1885 PolarHBondContact O-NE2 3.41Å; N1880-Q1885 VanDerWaalsContact O-NE2 3.14Å; N1880-L1887 HydrophobicContact CB-CD1 3.61Å; N1880-L1887 VanDerWaalsContact CB-CD1 3.46Å |
| 1881 | R | 76.7 | Confident | 83.3 | Confident | 43.4 Ų | 43.4 | 57 Ų | 57 | 16% | 0.164 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 123.8 | 179.8 | -171.8 | 177 | -174.3 | -172.6 | -5.4 | 109.8 | L1860 N1861 H1862 N1878 I1886 | L1860-R1881 VanDerWaalsContact O-CZ 3.3Å; L1860-R1881 PolarHBondContact O-NE 2.82Å; L1860-R1881 PolarHBondContact O-NH2 2.95Å; N1861-R1881 VanDerWaalsContact C-NH2 3.3Å; N1861-R1881 HydrophobicContact CB-CG 4.33Å; N1861-R1881 PolarHBondContact O-NH2 3.15Å; N1861-R1881 VanDerWaalsContact OD1-CD 3.24Å; N1861-R1881 WeakPolarHBondContact OD1-CD 3.24Å; N1861-R1881 WeakPolarHBondContact OD1-CG 3.28Å; N1861-R1881 PolarHBondContact OD1-NE 3.48Å; H1862-R1881 PolarHBondContact O-NH2 3.03Å; N1878-R1881 WeakPolarHBondContact O-CB 3.37Å; N1878-R1881 PolarHBondContact O-N 3.14Å; N1878-R1881 VanDerWaalsContact O-N 3.11Å; R1881-I1886 HydrophobicContact CG-CG1 4.2Å |
| 1882 | T | 79.4 | Confident | 83.6 | Confident | 53.2 Ų | 53.2 | 54.2 Ų | 54.2 | 33% | 0.326 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 173.2 | 176.1 | 65.1 | 0 | 0 | 0 | 0 | 109.8 | L1860 N1861 N1880 D1884 Q1885 | L1860-T1882 CarbonylContact C-O 3.52Å; N1861-T1882 PolarHBondContact N-O 3.34Å; N1880-T1882 PolarHBondContact O-N 3.07Å; T1882-D1884 VanDerWaalsContact CB-OD1 3.25Å; T1882-D1884 WeakPolarHBondContact CB-OD1 3.4Å; T1882-D1884 PolarHBondContact O-N 3Å; T1882-D1884 VanDerWaalsContact O-N 3.11Å; T1882-D1884 PolarHBondContact OG1-N 2.67Å; T1882-D1884 PolarHBondContact OG1-OD1 3.3Å; T1882-Q1885 HydrophobicContact CG2-CG 4.4Å; T1882-Q1885 PolarHBondContact N-O 2.97Å; T1882-Q1885 PolarHBondContact O-N 2.96Å; T1882-Q1885 VanDerWaalsContact OG1-CB 3.31Å; T1882-Q1885 WeakPolarHBondContact OG1-CB 3.49Å; T1882-Q1885 WeakPolarHBondContact OG1-CG 3.35Å; T1882-Q1885 PolarHBondContact OG1-N 3.12Å; T1882-Q1885 PolarHBondContact OG1-NE2 3.05Å |
| 1883 | N | 73.4 | Confident | 83.5 | Confident | 24.4 Ų | 24.4 | 51.1 Ų | 51.1 | 13% | 0.13 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -19.3 | 174.8 | -88.4 | -30.1 | 0 | 0 | 0 | 112.8 | S1802 P1803 S1804 P1805 N1858 N1859 L1860 N1861 | S1802-N1883 WeakPolarHBondContact CB-ND2 3.06Å; S1802-N1883 PolarHBondContact O-ND2 2.96Å; S1802-N1883 VanDerWaalsContact O-ND2 3.07Å; S1802-N1883 PolarHBondContact OG-ND2 2.77Å; P1803-N1883 PolarHBondContact O-ND2 2.66Å; S1804-N1883 VanDerWaalsContact CA-ND2 3.27Å; S1804-N1883 WeakPolarHBondContact CA-ND2 3.31Å; S1804-N1883 PolarHBondContact N-ND2 3.09Å; S1804-N1883 PolarHBondContact OG-ND2 3.49Å; S1804-N1883 VanDerWaalsContact OG-ND2 3.1Å; P1805-N1883 WeakPolarHBondContact CD-OD1 3.35Å; N1858-N1883 CarbonylContact C-O 3.41Å; N1859-N1883 VanDerWaalsContact CA-OD1 3.25Å; N1859-N1883 WeakPolarHBondContact CA-OD1 3.43Å; N1859-N1883 PolarHBondContact N-O 3.1Å; L1860-N1883 WeakPolarHBondContact CB-O 3.42Å; L1860-N1883 PolarHBondContact N-O 3.02Å; N1861-N1883 WeakPolarHBondContact CB-OD1 3.23Å; N1861-N1883 VanDerWaalsContact CG-CG 3.45Å; N1861-N1883 PolarHBondContact N-OD1 3.04Å; N1861-N1883 VanDerWaalsContact ND2-CG 3.34Å; N1861-N1883 PolarHBondContact ND2-N 2.95Å; N1861-N1883 PolarHBondContact ND2-ND2 2.74Å; N1861-N1883 PolarHBondContact ND2-OD1 3.05Å; N1861-N1883 PolarHBondContact OD1-OD1 3.12Å |
| 1884 | D | 77.1 | Confident | 82.7 | Confident | 57.2 Ų | 57.2 | 50.2 Ų | 50.2 | 31% | 0.306 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -6.7 | -175 | 26.8 | -35.3 | 0 | 0 | 0 | 114.3 | I1753 S1802 H1856 G1857 T1882 | I1753-D1884 VanDerWaalsContact CG2-OD1 3.28Å; I1753-D1884 WeakPolarHBondContact CG2-OD1 3.42Å; S1802-D1884 WeakPolarHBondContact CB-OD1 3.06Å; H1856-D1884 CarbonylContact C-O 3.53Å; H1856-D1884 VanDerWaalsContact CA-O 3.29Å; H1856-D1884 WeakPolarHBondContact CA-O 3.29Å; H1856-D1884 PolarHBondContact ND1-O 3.04Å; G1857-D1884 PolarHBondContact N-O 2.99Å; G1857-D1884 VanDerWaalsContact O-CA 3.3Å; G1857-D1884 WeakPolarHBondContact O-CA 3.21Å; T1882-D1884 VanDerWaalsContact CB-OD1 3.25Å; T1882-D1884 WeakPolarHBondContact CB-OD1 3.4Å; T1882-D1884 PolarHBondContact O-N 3Å; T1882-D1884 VanDerWaalsContact O-N 3.11Å; T1882-D1884 PolarHBondContact OG1-N 2.67Å; T1882-D1884 PolarHBondContact OG1-OD1 3.3Å |
| 1885 | Q | 84.7 | Confident | 81.9 | Confident | 44.4 Ų | 44.4 | 56.4 Ų | 56.4 | 21% | 0.207 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 143 | 179.4 | 65 | -171 | -15.3 | 0 | 0 | 114.1 | K1854 F1855 N1880 T1882 | K1854-Q1885 VanDerWaalsContact NZ-OE1 3.08Å; F1855-Q1885 CarbonylContact O-C 3.44Å; F1855-Q1885 VanDerWaalsContact O-CA 3.26Å; F1855-Q1885 WeakPolarHBondContact O-CA 3.3Å; F1855-Q1885 WeakPolarHBondContact O-CB 3.42Å; N1880-Q1885 WeakPolarHBondContact O-CG 3.41Å; N1880-Q1885 PolarHBondContact O-NE2 3.41Å; N1880-Q1885 VanDerWaalsContact O-NE2 3.14Å; T1882-Q1885 HydrophobicContact CG2-CG 4.4Å; T1882-Q1885 PolarHBondContact N-O 2.97Å; T1882-Q1885 PolarHBondContact O-N 2.96Å; T1882-Q1885 VanDerWaalsContact OG1-CB 3.31Å; T1882-Q1885 WeakPolarHBondContact OG1-CB 3.49Å; T1882-Q1885 WeakPolarHBondContact OG1-CG 3.35Å; T1882-Q1885 PolarHBondContact OG1-N 3.12Å; T1882-Q1885 PolarHBondContact OG1-NE2 3.05Å |
| 1886 | I | 86.9 | Confident | 81.1 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 135.7 | 168.2 | -108.8 | 163.3 | 0 | 0 | 0 | 109.5 | F1837 K1854 F1855 L1860 I1865 I1867 I1876 R1881 C1888 | F1837-I1886 HydrophobicContact CE1-CD1 4.07Å; F1837-I1886 HydrophobicContact CE1-CG2 3.88Å; F1837-I1886 HydrophobicContact CZ-CD1 3.96Å; F1837-I1886 HydrophobicContact CZ-CG2 4.4Å; K1854-I1886 CarbonylContact C-O 3.55Å; K1854-I1886 WeakPolarHBondContact CA-O 3.32Å; F1855-I1886 HydrophobicContact CB-CB 4.25Å; F1855-I1886 HydrophobicContact CB-CG2 3.49Å; F1855-I1886 VanDerWaalsContact CB-CG2 3.46Å; F1855-I1886 WeakPolarHBondContact CB-O 3.29Å; F1855-I1886 HydrophobicContact CD2-CG2 4.37Å; F1855-I1886 HydrophobicContact CG-CG2 4.09Å; F1855-I1886 PolarHBondContact N-O 3.08Å; F1855-I1886 PolarHBondContact O-N 3.1Å; L1860-I1886 HydrophobicContact CB-CB 4.49Å; L1860-I1886 HydrophobicContact CB-CD1 3.82Å; L1860-I1886 HydrophobicContact CB-CG1 3.93Å; L1860-I1886 HydrophobicContact CD1-CD1 4.41Å; L1860-I1886 HydrophobicContact CD1-CG2 4.19Å; L1860-I1886 HydrophobicContact CD2-CD1 4.32Å; L1860-I1886 HydrophobicContact CG-CD1 4.42Å; L1860-I1886 WeakPolarHBondContact O-CD1 3.3Å; L1860-I1886 VanDerWaalsContact O-CG1 3.25Å; L1860-I1886 WeakPolarHBondContact O-CG1 3.25Å; I1865-I1886 HydrophobicContact CB-CD1 4.42Å; I1865-I1886 HydrophobicContact CD1-CD1 3.98Å; I1865-I1886 HydrophobicContact CG2-CD1 3.82Å; I1867-I1886 HydrophobicContact CD1-CB 4.43Å; I1867-I1886 HydrophobicContact CD1-CD1 4.38Å; I1867-I1886 HydrophobicContact CD1-CG2 3.86Å; I1876-I1886 HydrophobicContact CB-CD1 4.49Å; I1876-I1886 HydrophobicContact CD1-CD1 3.77Å; I1876-I1886 HydrophobicContact CD1-CG2 4.44Å; I1876-I1886 HydrophobicContact CG1-CD1 3.89Å; I1876-I1886 HydrophobicContact CG1-CG1 4.34Å; I1876-I1886 HydrophobicContact CG1-CG2 4.23Å; I1876-I1886 HydrophobicContact CG2-CD1 3.79Å; I1876-I1886 HydrophobicContact CG2-CG1 3.8Å; I1876-I1886 HydrophobicContact CG2-CG2 4.11Å; R1881-I1886 HydrophobicContact CG-CG1 4.2Å; I1886-C1888 HydrophobicContact CG2-CB 4.48Å |
| 1887 | L | 88.7 | Confident | 80.1 | Confident | 25.4 Ų | 25.4 | 57.6 Ų | 57.6 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 140 | 170.5 | -71.4 | 152.3 | 0 | 0 | 0 | 108.9 | I1852 I1853 K1854 I1876 I1877 N1880 | I1852-L1887 HydrophobicContact CG2-CB 4.46Å; I1852-L1887 HydrophobicContact CG2-CD2 3.92Å; I1853-L1887 CarbonylContact O-C 3.47Å; I1853-L1887 VanDerWaalsContact O-CA 3.28Å; I1853-L1887 WeakPolarHBondContact O-CA 3.44Å; K1854-L1887 HydrophobicContact CB-CD2 3.75Å; K1854-L1887 HydrophobicContact CD-CD2 4.41Å; K1854-L1887 HydrophobicContact CG-CD2 3.88Å; K1854-L1887 HydrophobicContact CG-CG 4.43Å; I1876-L1887 CarbonylContact C-O 3.47Å; I1876-L1887 WeakPolarHBondContact CA-O 3.3Å; I1877-L1887 HydrophobicContact CB-CB 4.11Å; I1877-L1887 HydrophobicContact CD1-CB 4.3Å; I1877-L1887 HydrophobicContact CG1-CB 4.44Å; I1877-L1887 PolarHBondContact N-O 3.23Å; N1880-L1887 HydrophobicContact CB-CD1 3.61Å; N1880-L1887 VanDerWaalsContact CB-CD1 3.46Å |
| 1888 | C | 89.1 | Confident | 79.6 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 155 | 173.4 | 80.2 | 0 | 0 | 0 | 0 | 112.6 | I1852 I1853 F1855 C1874 S1875 I1876 I1886 | I1852-C1888 CarbonylContact C-O 3.55Å; I1852-C1888 WeakPolarHBondContact CA-O 3.33Å; I1853-C1888 PolarHBondContact N-O 3.02Å; I1853-C1888 PolarHBondContact O-N 3.05Å; F1855-C1888 VanDerWaalsContact CE2-SG 3.57Å; F1855-C1888 WeakPolarHBondContact CE2-SG 3.28Å; C1874-C1888 HydrophobicContact CB-CB 3.82Å; C1874-C1888 WeakPolarHBondContact CB-SG 3.2Å; C1874-C1888 VanDerWaalsContact SG-C 3.55Å; C1874-C1888 WeakPolarHBondContact SG-CB 3.2Å; C1874-C1888 CovalentContact SG-SG 2.03Å; C1874-C1888 PolarHBondContact SG-SG 3.16Å; S1875-C1888 CarbonylContact O-C 3.51Å; S1875-C1888 VanDerWaalsContact O-CA 3.25Å; S1875-C1888 WeakPolarHBondContact O-CA 3.34Å; S1875-C1888 WeakPolarHBondContact O-CB 3.35Å; I1876-C1888 HydrophobicContact CG1-CB 4.21Å; I1886-C1888 HydrophobicContact CG2-CB 4.48Å |
| 1889 | R | 89.1 | Confident | 79.5 | Confident | 53.4 Ų | 53.4 | 62.2 Ų | 62.2 | 20% | 0.202 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 129.3 | 175.5 | -72 | -174.5 | 176.1 | -164.5 | -5.6 | 111.3 | T1851 I1852 C1874 S1875 I1877 D1999 Y2005 | T1851-R1889 CarbonylContact O-C 3.51Å; T1851-R1889 VanDerWaalsContact O-CA 3.29Å; T1851-R1889 WeakPolarHBondContact O-CA 3.42Å; I1852-R1889 HydrophobicContact CG1-CG 4.16Å; C1874-R1889 CarbonylContact C-O 3.56Å; C1874-R1889 WeakPolarHBondContact CA-O 3.36Å; C1874-R1889 PolarHBondContact SG-O 3.05Å; S1875-R1889 PolarHBondContact N-O 3.15Å; S1875-R1889 VanDerWaalsContact N-O 3.1Å; S1875-R1889 PolarHBondContact O-N 3.03Å; I1877-R1889 HydrophobicContact CD1-CG 4.13Å; I1877-R1889 HydrophobicContact CG1-CG 4.35Å; R1889-D1999 IonicContact CZ-OD1 3.18Å; R1889-D1999 IonicContact CZ-OD2 3.4Å; R1889-D1999 IonicContact NE-OD2 3.55Å; R1889-D1999 IonicContact NH1-OD2 3.61Å; R1889-D1999 PolarHBondContact NH1-OD2 3.29Å; R1889-D1999 IonicContact NH2-OD1 3.39Å; R1889-D1999 PolarHBondContact NH2-OD1 3.22Å; R1889-D1999 IonicContact NH2-OD2 3.08Å; R1889-D1999 PolarHBondContact NH2-OD2 2.75Å; R1889-Y2005 PolarHBondContact NH1-OH 2.95Å |
| 1890 | T | 90.4 | Very high | 79.7 | Confident | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 140.7 | 178 | 52.7 | 0 | 0 | 0 | 0 | 112.2 | G1849 G1850 T1851 I1853 F1869 Y1918 | G1849-T1890 CarbonylContact C-O 3.53Å; G1849-T1890 VanDerWaalsContact CA-O 3.31Å; G1849-T1890 WeakPolarHBondContact CA-O 3.38Å; G1850-T1890 PolarHBondContact N-O 3.22Å; G1850-T1890 PolarHBondContact N-OG1 3.1Å; T1851-T1890 VanDerWaalsContact CB-OG1 3.31Å; T1851-T1890 WeakPolarHBondContact CB-OG1 3.42Å; T1851-T1890 PolarHBondContact N-OG1 2.95Å; T1851-T1890 VanDerWaalsContact N-OG1 3.09Å; T1851-T1890 PolarHBondContact O-N 3.03Å; T1851-T1890 PolarHBondContact O-OG1 3.22Å; T1851-T1890 PolarHBondContact OG1-OG1 3.22Å; I1853-T1890 HydrophobicContact CD1-CG2 3.22Å; I1853-T1890 HydrophobicContact CG1-CG2 3.92Å; F1869-T1890 HydrophobicContact CD1-CG2 4.46Å; F1869-T1890 HydrophobicContact CE1-CG2 4.28Å; F1869-T1890 HydrophobicContact CZ-CG2 4.35Å; T1890-Y1918 HydrophobicContact CG2-CD1 4.49Å; T1890-Y1918 HydrophobicContact CG2-CE1 3.82Å; T1890-Y1918 HydrophobicContact CG2-CE2 4.43Å; T1890-Y1918 WeakPolarHBondContact CG2-OH 3.12Å |
| 1891 | P | 90.2 | Very high | 80.5 | Confident | 17.8 Ų | 17.8 | 59.9 Ų | 59.9 | 12% | 0.116 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 154.6 | 172.1 | 29.6 | -33.6 | 0 | 0 | 0 | 111.4 | F1869 K1872 Y1920 | F1869-P1891 HydrophobicContact CB-CG 4.07Å; K1872-P1891 HydrophobicContact CB-CB 3.65Å; K1872-P1891 VanDerWaalsContact CB-CB 3.49Å; K1872-P1891 HydrophobicContact CB-CG 3.54Å; K1872-P1891 VanDerWaalsContact CB-CG 3.45Å; K1872-P1891 HydrophobicContact CD-CB 4.07Å; K1872-P1891 HydrophobicContact CD-CG 4.42Å; K1872-P1891 HydrophobicContact CG-CB 4.4Å; P1891-Y1920 WeakPolarHBondContact CD-OH 3.26Å; P1891-Y1920 WeakPolarHBondContact CG-OH 3.26Å; P1891-Y1920 VanDerWaalsContact O-CE1 3.27Å; P1891-Y1920 WeakPolarHBondContact O-CE1 3.28Å; P1891-Y1920 PolarHBondContact O-OH 3.08Å; P1891-Y1920 VanDerWaalsContact O-OH 3.11Å |
| 1892 | E | 86.8 | Confident | 81 | Confident | 97.8 Ų | 97.8 | 59.8 Ų | 59.8 | 46% | 0.457 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 147.8 | 173.4 | 60.3 | 166.6 | -153.7 | 0 | 0 | 112.7 | F1847 K1872 L1894 | F1847-E1892 CarbonylContact O-C 3.56Å; F1847-E1892 WeakPolarHBondContact O-CA 3.37Å; K1872-E1892 WeakPolarHBondContact CD-O 3.33Å; K1872-E1892 VanDerWaalsContact CE-O 3.3Å; K1872-E1892 WeakPolarHBondContact CE-O 3.18Å; K1872-E1892 PolarHBondContact NZ-O 3.01Å; E1892-L1894 HydrophobicContact CB-CG 4.44Å; E1892-L1894 WeakPolarHBondContact OE1-CD1 3.29Å; E1892-L1894 WeakPolarHBondContact OE2-CD1 3.23Å |
| 1893 | Q | 83.7 | Confident | 81.3 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 6% | 0.056 | 31% | 0.31 | C | S | . | . | trans | -132 | 53.3 | 177.6 | -65.3 | -64.9 | -13.4 | 0 | 0 | 111.2 | F1847 N1895 Y1896 Y1920 | F1847-Q1893 HydrophobicContact CD1-CB 4.17Å; F1847-Q1893 WeakPolarHBondContact CD1-O 3.4Å; F1847-Q1893 CarbonylContact O-C 3.48Å; F1847-Q1893 PolarHBondContact O-N 3.08Å; Q1893-N1895 PolarHBondContact O-N 3.18Å; Q1893-N1895 VanDerWaalsContact O-N 3.11Å; Q1893-Y1896 HydrophobicContact CB-CD2 4.41Å; Q1893-Y1896 PolarHBondContact O-N 3.17Å; Q1893-Y1896 VanDerWaalsContact O-N 3.09Å; Q1893-Y1920 HydrophobicContact CB-CD1 4.32Å; Q1893-Y1920 HydrophobicContact CB-CD2 4.42Å; Q1893-Y1920 HydrophobicContact CB-CE1 4.26Å; Q1893-Y1920 HydrophobicContact CB-CE2 4.47Å; Q1893-Y1920 HydrophobicContact CB-CG 4.39Å; Q1893-Y1920 HydrophobicContact CG-CD1 4.15Å; Q1893-Y1920 HydrophobicContact CG-CD2 3.99Å; Q1893-Y1920 HydrophobicContact CG-CE1 3.83Å; Q1893-Y1920 HydrophobicContact CG-CE2 3.65Å; Q1893-Y1920 HydrophobicContact CG-CG 4.23Å; Q1893-Y1920 VanDerWaalsContact CG-CZ 3.46Å | ||
| 1894 | L | 70.6 | Confident | 81.9 | Confident | 74 Ų | 74 | 62.4 Ų | 62.4 | 39% | 0.387 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -59.4 | -28.6 | -175.3 | -63.6 | 175.3 | 0 | 0 | 0 | 114.3 | F1847 A1848 E1892 Y1896 S1897 L2007 | F1847-L1894 PolarHBondContact O-N 2.91Å; A1848-L1894 HydrophobicContact CB-CD2 4.27Å; E1892-L1894 HydrophobicContact CB-CG 4.44Å; E1892-L1894 WeakPolarHBondContact OE1-CD1 3.29Å; E1892-L1894 WeakPolarHBondContact OE2-CD1 3.23Å; L1894-Y1896 VanDerWaalsContact C-N 3.28Å; L1894-Y1896 PolarHBondContact O-N 3.08Å; L1894-Y1896 VanDerWaalsContact O-N 3.13Å; L1894-S1897 WeakPolarHBondContact O-CB 3.36Å; L1894-S1897 PolarHBondContact O-N 3Å; L1894-S1897 VanDerWaalsContact O-N 3.16Å; L1894-S1897 PolarHBondContact O-OG 2.98Å; L1894-S1897 VanDerWaalsContact O-OG 3.07Å; L1894-L2007 HydrophobicContact CD2-CD2 3.72Å |
| 1895 | N | 72.6 | Confident | 82.3 | Confident | 133.2 Ų | 133.2 | 62.1 Ų | 62.1 | 71% | 0.712 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -67.7 | -6.7 | -178.5 | -84.8 | -1 | 0 | 0 | 0 | 114.5 | Q1893 Y1898 | Q1893-N1895 PolarHBondContact O-N 3.18Å; Q1893-N1895 VanDerWaalsContact O-N 3.11Å; N1895-Y1898 WeakPolarHBondContact O-CD1 3.38Å; N1895-Y1898 WeakPolarHBondContact O-CE1 3.27Å |
| 1896 | Y | 71.3 | Confident | 82.2 | Confident | 76.2 Ų | 76.2 | 60 Ų | 60 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -122.7 | 15.3 | -176.7 | -59.9 | -73.5 | 0 | 0 | 0 | 112.8 | F1847 Q1893 L1894 Y1898 L1899 Y1902 | F1847-Y1896 VanDerWaalsContact CE1-C 3.45Å; F1847-Y1896 HydrophobicContact CE1-CD2 4.32Å; F1847-Y1896 HydrophobicContact CE1-CG 4.45Å; F1847-Y1896 VanDerWaalsContact CE1-O 3.27Å; F1847-Y1896 WeakPolarHBondContact CE1-O 3.27Å; F1847-Y1896 VanDerWaalsContact CZ-O 3.26Å; F1847-Y1896 WeakPolarHBondContact CZ-O 3.41Å; Q1893-Y1896 HydrophobicContact CB-CD2 4.41Å; Q1893-Y1896 PolarHBondContact O-N 3.17Å; Q1893-Y1896 VanDerWaalsContact O-N 3.09Å; L1894-Y1896 VanDerWaalsContact C-N 3.28Å; L1894-Y1896 PolarHBondContact O-N 3.08Å; L1894-Y1896 VanDerWaalsContact O-N 3.13Å; Y1896-Y1898 PolarHBondContact O-N 3.12Å; Y1896-L1899 HydrophobicContact CD1-CD1 3.89Å; Y1896-L1899 HydrophobicContact CD1-CG 3.96Å; Y1896-L1899 HydrophobicContact CE1-CD1 3.89Å; Y1896-L1899 HydrophobicContact CG-CD1 4.05Å; Y1896-L1899 HydrophobicContact CG-CG 4.36Å; Y1896-L1899 WeakPolarHBondContact O-CB 3.07Å; Y1896-L1899 PolarHBondContact O-N 3.14Å; Y1896-Y1902 HydrophobicContact CD1-CD2 4.32Å; Y1896-Y1902 HydrophobicContact CD1-CE1 4.28Å; Y1896-Y1902 AromaticContact CD1-CE2 3.87Å; Y1896-Y1902 HydrophobicContact CD1-CE2 4.16Å; Y1896-Y1902 AromaticContact CD1-CZ 3.89Å; Y1896-Y1902 AromaticContact CD2-CD1 3.88Å; Y1896-Y1902 HydrophobicContact CD2-CD1 4.09Å; Y1896-Y1902 AromaticContact CD2-CE1 3.7Å; Y1896-Y1902 HydrophobicContact CD2-CE1 3.78Å; Y1896-Y1902 VanDerWaalsContact CD2-CE1 3.5Å; Y1896-Y1902 HydrophobicContact CD2-CE2 4.43Å; Y1896-Y1902 HydrophobicContact CD2-CG 4.17Å; Y1896-Y1902 AromaticContact CD2-CZ 3.89Å; Y1896-Y1902 HydrophobicContact CE1-CD2 4.12Å; Y1896-Y1902 AromaticContact CE1-CE2 3.88Å; Y1896-Y1902 HydrophobicContact CE1-CE2 4.12Å; Y1896-Y1902 AromaticContact CE2-CD1 3.63Å; Y1896-Y1902 HydrophobicContact CE2-CD1 3.63Å; Y1896-Y1902 HydrophobicContact CE2-CD2 4.35Å; Y1896-Y1902 AromaticContact CE2-CE1 3.81Å; Y1896-Y1902 HydrophobicContact CE2-CE1 3.89Å; Y1896-Y1902 HydrophobicContact CE2-CE2 4.24Å; Y1896-Y1902 HydrophobicContact CE2-CG 4.14Å; Y1896-Y1902 AromaticContact CE2-CZ 3.83Å; Y1896-Y1902 AromaticContact CG-CD1 3.88Å; Y1896-Y1902 HydrophobicContact CG-CD1 4.19Å; Y1896-Y1902 HydrophobicContact CG-CD2 4.26Å; Y1896-Y1902 AromaticContact CG-CE1 3.68Å; Y1896-Y1902 HydrophobicContact CG-CE1 4.09Å; Y1896-Y1902 HydrophobicContact CG-CE2 4.25Å; Y1896-Y1902 HydrophobicContact CG-CG 4.27Å; Y1896-Y1902 AromaticContact CG-CZ 3.78Å; Y1896-Y1902 AromaticContact CZ-CE1 3.63Å; Y1896-Y1902 AromaticContact CZ-CE2 3.62Å; Y1896-Y1902 AromaticContact CZ-CZ 3.69Å; Y1896-Y1902 PolarHBondContact OH-OH 3.2Å |
| 1897 | S | 67 | Low | 82 | Confident | 68 Ų | 68 | 62.9 Ų | 62.9 | 48% | 0.476 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -10.8 | -179.3 | 58.2 | 0 | 0 | 0 | 0 | 114.7 | L1894 | L1894-S1897 WeakPolarHBondContact O-CB 3.36Å; L1894-S1897 PolarHBondContact O-N 3Å; L1894-S1897 VanDerWaalsContact O-N 3.16Å; L1894-S1897 PolarHBondContact O-OG 2.98Å; L1894-S1897 VanDerWaalsContact O-OG 3.07Å |
| 1898 | Y | 72.3 | Confident | 81.6 | Confident | 179.8 Ų | 179.8 | 62.2 Ų | 62.2 | 71% | 0.705 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -9.4 | 173.1 | 48.1 | -94 | 0 | 0 | 0 | 114.1 | N1895 Y1896 | N1895-Y1898 WeakPolarHBondContact O-CD1 3.38Å; N1895-Y1898 WeakPolarHBondContact O-CE1 3.27Å; Y1896-Y1898 PolarHBondContact O-N 3.12Å |
| 1899 | L | 76.7 | Confident | 80.7 | Confident | 64.2 Ų | 64.2 | 64.9 Ų | 64.9 | 34% | 0.336 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -91.2 | 134.6 | 174.9 | -61.9 | 177.9 | 0 | 0 | 0 | 109.3 | F1847 Y1896 N1901 Y1902 | F1847-L1899 VanDerWaalsContact CE2-O 3.31Å; F1847-L1899 WeakPolarHBondContact CE2-O 3.45Å; F1847-L1899 HydrophobicContact CZ-CB 4.47Å; F1847-L1899 VanDerWaalsContact CZ-O 3.28Å; F1847-L1899 WeakPolarHBondContact CZ-O 3.22Å; Y1896-L1899 HydrophobicContact CD1-CD1 3.89Å; Y1896-L1899 HydrophobicContact CD1-CG 3.96Å; Y1896-L1899 HydrophobicContact CE1-CD1 3.89Å; Y1896-L1899 HydrophobicContact CG-CD1 4.05Å; Y1896-L1899 HydrophobicContact CG-CG 4.36Å; Y1896-L1899 WeakPolarHBondContact O-CB 3.07Å; Y1896-L1899 PolarHBondContact O-N 3.14Å; L1899-N1901 VanDerWaalsContact C-N 3.32Å; L1899-N1901 PolarHBondContact O-N 2.84Å; L1899-N1901 VanDerWaalsContact O-N 3.09Å; L1899-Y1902 HydrophobicContact CD1-CD2 3.98Å; L1899-Y1902 HydrophobicContact CD1-CE2 4.47Å; L1899-Y1902 HydrophobicContact CD1-CG 4.17Å |
| 1900 | D | 79.4 | Confident | 79.5 | Confident | 124 Ų | 124 | 66.2 Ų | 66.2 | 66% | 0.663 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -63.4 | -42.7 | 174.7 | -72.4 | -36.7 | 0 | 0 | 0 | 111.6 | I1921 S1922 | D1900-I1921 WeakPolarHBondContact O-CA 3.29Å; D1900-S1922 PolarHBondContact O-N 2.86Å; D1900-S1922 PolarHBondContact O-OG 3.03Å; D1900-S1922 PolarHBondContact OD1-OG 2.93Å |
| 1901 | N | 83.8 | Confident | 78.1 | Confident | 104 Ų | 104 | 69.1 Ų | 69.1 | 56% | 0.556 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 135.4 | 179.5 | -59.7 | -24.2 | 0 | 0 | 0 | 110.6 | L1899 T1919 Y1920 I1921 | L1899-N1901 VanDerWaalsContact C-N 3.32Å; L1899-N1901 PolarHBondContact O-N 2.84Å; L1899-N1901 VanDerWaalsContact O-N 3.09Å; N1901-T1919 HydrophobicContact CB-CG2 4.22Å; N1901-Y1920 CarbonylContact C-O 3.56Å; N1901-Y1920 VanDerWaalsContact CA-O 3.28Å; N1901-Y1920 WeakPolarHBondContact CA-O 3.11Å; N1901-I1921 WeakPolarHBondContact OD1-CG1 3.43Å; N1901-I1921 WeakPolarHBondContact OD1-CG2 3.37Å |
| 1902 | Y | 87 | Confident | 76.8 | Confident | 42.2 Ų | 42.2 | 70.3 Ų | 70.3 | 17% | 0.165 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 114 | 176.7 | 179 | -117.3 | 0 | 0 | 0 | 111.8 | F1847 N1870 Y1896 L1899 V1904 T1919 Y1920 | F1847-Y1902 HydrophobicContact CE1-CG 4.48Å; N1870-Y1902 PolarHBondContact ND2-OH 3Å; N1870-Y1902 VanDerWaalsContact ND2-OH 3.1Å; Y1896-Y1902 HydrophobicContact CD1-CD2 4.32Å; Y1896-Y1902 HydrophobicContact CD1-CE1 4.28Å; Y1896-Y1902 AromaticContact CD1-CE2 3.87Å; Y1896-Y1902 HydrophobicContact CD1-CE2 4.16Å; Y1896-Y1902 AromaticContact CD1-CZ 3.89Å; Y1896-Y1902 AromaticContact CD2-CD1 3.88Å; Y1896-Y1902 HydrophobicContact CD2-CD1 4.09Å; Y1896-Y1902 AromaticContact CD2-CE1 3.7Å; Y1896-Y1902 HydrophobicContact CD2-CE1 3.78Å; Y1896-Y1902 VanDerWaalsContact CD2-CE1 3.5Å; Y1896-Y1902 HydrophobicContact CD2-CE2 4.43Å; Y1896-Y1902 HydrophobicContact CD2-CG 4.17Å; Y1896-Y1902 AromaticContact CD2-CZ 3.89Å; Y1896-Y1902 HydrophobicContact CE1-CD2 4.12Å; Y1896-Y1902 AromaticContact CE1-CE2 3.88Å; Y1896-Y1902 HydrophobicContact CE1-CE2 4.12Å; Y1896-Y1902 AromaticContact CE2-CD1 3.63Å; Y1896-Y1902 HydrophobicContact CE2-CD1 3.63Å; Y1896-Y1902 HydrophobicContact CE2-CD2 4.35Å; Y1896-Y1902 AromaticContact CE2-CE1 3.81Å; Y1896-Y1902 HydrophobicContact CE2-CE1 3.89Å; Y1896-Y1902 HydrophobicContact CE2-CE2 4.24Å; Y1896-Y1902 HydrophobicContact CE2-CG 4.14Å; Y1896-Y1902 AromaticContact CE2-CZ 3.83Å; Y1896-Y1902 AromaticContact CG-CD1 3.88Å; Y1896-Y1902 HydrophobicContact CG-CD1 4.19Å; Y1896-Y1902 HydrophobicContact CG-CD2 4.26Å; Y1896-Y1902 AromaticContact CG-CE1 3.68Å; Y1896-Y1902 HydrophobicContact CG-CE1 4.09Å; Y1896-Y1902 HydrophobicContact CG-CE2 4.25Å; Y1896-Y1902 HydrophobicContact CG-CG 4.27Å; Y1896-Y1902 AromaticContact CG-CZ 3.78Å; Y1896-Y1902 AromaticContact CZ-CE1 3.63Å; Y1896-Y1902 AromaticContact CZ-CE2 3.62Å; Y1896-Y1902 AromaticContact CZ-CZ 3.69Å; Y1896-Y1902 PolarHBondContact OH-OH 3.2Å; L1899-Y1902 HydrophobicContact CD1-CD2 3.98Å; L1899-Y1902 HydrophobicContact CD1-CE2 4.47Å; L1899-Y1902 HydrophobicContact CD1-CG 4.17Å; Y1902-V1904 HydrophobicContact CD1-CG1 3.81Å; Y1902-V1904 HydrophobicContact CE1-CG1 3.38Å; Y1902-V1904 VanDerWaalsContact CE1-CG1 3.4Å; Y1902-T1919 CarbonylContact O-C 3.5Å; Y1902-T1919 WeakPolarHBondContact O-CA 3.32Å; Y1902-Y1920 HydrophobicContact CD1-CD2 4.27Å; Y1902-Y1920 PolarHBondContact N-O 3.03Å; Y1902-Y1920 PolarHBondContact O-N 3.08Å |
| 1903 | K | 87.2 | Confident | 75.4 | Confident | 130.6 Ų | 130.6 | 72.5 Ų | 72.5 | 57% | 0.568 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 139.1 | 179.5 | -69.2 | -176.2 | 164.3 | -158.6 | 0 | 112.1 | E1917 Y1918 T1919 | K1903-E1917 WeakPolarHBondContact CD-OE2 3.35Å; K1903-E1917 IonicContact NZ-OE2 3.2Å; K1903-E1917 PolarHBondContact NZ-OE2 2.91Å; K1903-E1917 VanDerWaalsContact NZ-OE2 3.15Å; K1903-Y1918 CarbonylContact C-O 3.53Å; K1903-Y1918 WeakPolarHBondContact CA-O 3.37Å; K1903-T1919 HydrophobicContact CG-CG2 4.09Å |
| 1904 | V | 86.1 | Confident | 74.7 | Confident | 2.2 Ų | 2.2 | 73 Ų | 73 | 1% | 0.013 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 145.9 | 176.6 | -60 | 0 | 0 | 0 | 0 | 111.6 | F1869 N1870 Y1902 E1917 Y1918 Y1920 | F1869-V1904 HydrophobicContact CB-CG2 4.15Å; F1869-V1904 HydrophobicContact CD1-CG2 3.8Å; F1869-V1904 HydrophobicContact CG-CG2 4.4Å; N1870-V1904 HydrophobicContact CB-CB 4.11Å; N1870-V1904 HydrophobicContact CB-CG1 4.09Å; N1870-V1904 WeakPolarHBondContact ND2-CG1 3.17Å; Y1902-V1904 HydrophobicContact CD1-CG1 3.81Å; Y1902-V1904 HydrophobicContact CE1-CG1 3.38Å; Y1902-V1904 VanDerWaalsContact CE1-CG1 3.4Å; V1904-E1917 WeakPolarHBondContact O-CA 3.29Å; V1904-Y1918 HydrophobicContact CG2-CD1 4.19Å; V1904-Y1918 VanDerWaalsContact CG2-O 3.31Å; V1904-Y1918 WeakPolarHBondContact CG2-O 3.25Å; V1904-Y1918 PolarHBondContact N-O 3.13Å; V1904-Y1918 PolarHBondContact O-N 3.03Å; V1904-Y1920 HydrophobicContact CB-CE2 4.44Å; V1904-Y1920 HydrophobicContact CG1-CD2 4.05Å; V1904-Y1920 HydrophobicContact CG1-CE2 3.95Å; V1904-Y1920 HydrophobicContact CG2-CD2 4.17Å; V1904-Y1920 HydrophobicContact CG2-CE2 3.7Å |
| 1905 | S | 84.5 | Confident | 74.6 | Confident | 49.2 Ų | 49.2 | 76.4 Ų | 76.4 | 34% | 0.344 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 149.2 | 171.9 | 55.5 | 0 | 0 | 0 | 0 | 111.3 | N1870 | N1870-S1905 PolarHBondContact N-O 3.12Å; N1870-S1905 PolarHBondContact OD1-N 3.2Å; N1870-S1905 VanDerWaalsContact OD1-N 3.09Å; N1870-S1905 PolarHBondContact OD1-OG 2.99Å |
| 1906 | I | 83.5 | Confident | 74.8 | Confident | 1.8 Ų | 1.8 | 72.3 Ų | 72.3 | 1% | 0.009 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 115 | 177.4 | -52.2 | 178.9 | 0 | 0 | 0 | 109 | I1840 F1855 I1867 L1868 F1869 M1914 | I1840-I1906 HydrophobicContact CD1-CD1 3.17Å; F1855-I1906 HydrophobicContact CE1-CG2 4.25Å; F1855-I1906 HydrophobicContact CZ-CG2 4.38Å; I1867-I1906 HydrophobicContact CG2-CG2 3.83Å; L1868-I1906 CarbonylContact O-C 3.52Å; L1868-I1906 VanDerWaalsContact O-CA 3.3Å; L1868-I1906 WeakPolarHBondContact O-CA 3.21Å; F1869-I1906 HydrophobicContact CD1-CG1 4.39Å; F1869-I1906 HydrophobicContact CE1-CD1 4.11Å; F1869-I1906 HydrophobicContact CE1-CG1 4.17Å; F1869-I1906 HydrophobicContact CE2-CG2 4.5Å; F1869-I1906 HydrophobicContact CZ-CD1 4.2Å; F1869-I1906 HydrophobicContact CZ-CG1 4.4Å; I1906-M1914 HydrophobicContact CB-CB 4.46Å; I1906-M1914 HydrophobicContact CG2-CE 4.2Å |
| 1907 | N | 81.3 | Confident | 75.4 | Confident | 59.6 Ų | 59.6 | 73.5 Ų | 73.5 | 32% | 0.319 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 138 | 178.4 | -67.4 | -37.4 | 0 | 0 | 0 | 110.5 | L1868 N1870 L1913 | L1868-N1907 HydrophobicContact CB-CB 4.29Å; L1868-N1907 WeakPolarHBondContact CB-O 3.38Å; L1868-N1907 HydrophobicContact CD1-CB 4.34Å; L1868-N1907 PolarHBondContact N-O 2.96Å; L1868-N1907 PolarHBondContact O-N 3.08Å; N1870-N1907 PolarHBondContact O-ND2 3.02Å; N1907-L1913 VanDerWaalsContact OD1-CD2 3.32Å; N1907-L1913 WeakPolarHBondContact OD1-CD2 3.37Å |
| 1908 | I | 80.2 | Confident | 76.5 | Confident | 10.8 Ų | 10.8 | 70.3 Ų | 70.3 | 6% | 0.055 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 134 | 178.6 | -54.9 | 164.6 | 0 | 0 | 0 | 109.1 | F1837 I1865 K1866 N1910 G1911 S1912 M1914 | F1837-I1908 HydrophobicContact CB-CD1 4.17Å; F1837-I1908 HydrophobicContact CD1-CD1 3.95Å; F1837-I1908 HydrophobicContact CD2-CD1 3.45Å; F1837-I1908 VanDerWaalsContact CD2-CD1 3.42Å; F1837-I1908 HydrophobicContact CD2-CG1 4.37Å; F1837-I1908 HydrophobicContact CD2-CG2 4.38Å; F1837-I1908 HydrophobicContact CE1-CD1 4.15Å; F1837-I1908 HydrophobicContact CE2-CD1 3.68Å; F1837-I1908 HydrophobicContact CE2-CG1 4.31Å; F1837-I1908 HydrophobicContact CE2-CG2 3.76Å; F1837-I1908 HydrophobicContact CG-CD1 3.59Å; F1837-I1908 HydrophobicContact CZ-CD1 4.02Å; F1837-I1908 HydrophobicContact CZ-CG1 4.32Å; F1837-I1908 HydrophobicContact CZ-CG2 4.09Å; I1865-I1908 HydrophobicContact CG2-CG2 4.43Å; K1866-I1908 WeakPolarHBondContact O-CA 3.29Å; I1908-N1910 VanDerWaalsContact C-N 3.27Å; I1908-N1910 WeakPolarHBondContact CG2-OD1 3.16Å; I1908-N1910 PolarHBondContact O-N 3.08Å; I1908-N1910 VanDerWaalsContact O-N 3.11Å; I1908-G1911 PolarHBondContact O-N 3.11Å; I1908-G1911 VanDerWaalsContact O-N 3.14Å; I1908-S1912 WeakPolarHBondContact CB-O 3.45Å; I1908-S1912 WeakPolarHBondContact CB-OG 3.37Å; I1908-S1912 WeakPolarHBondContact CD1-OG 3.45Å; I1908-S1912 WeakPolarHBondContact CG2-OG 3.45Å; I1908-S1912 PolarHBondContact N-O 2.99Å; I1908-M1914 HydrophobicContact CD1-CB 4.27Å; I1908-M1914 HydrophobicContact CD1-CE 3.84Å; I1908-M1914 HydrophobicContact CD1-CG 4.33Å; I1908-M1914 HydrophobicContact CG1-CE 4.41Å |
| 1909 | S | 71.2 | Confident | 77.3 | Confident | 58 Ų | 58 | 63 Ų | 63 | 41% | 0.406 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -24.6 | -173.8 | 50.4 | 0 | 0 | 0 | 0 | 115.7 | N1864 I1865 K1866 G1911 | N1864-S1909 PolarHBondContact O-OG 3.09Å; I1865-S1909 WeakPolarHBondContact CA-OG 3.23Å; K1866-S1909 PolarHBondContact N-OG 2.86Å; K1866-S1909 PolarHBondContact O-N 2.95Å; S1909-G1911 VanDerWaalsContact C-N 3.27Å; S1909-G1911 PolarHBondContact O-N 3.06Å |
| 1910 | N | 64.6 | Low | 77.9 | Confident | 80.6 Ų | 80.6 | 59.9 Ų | 59.9 | 43% | 0.431 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 12.7 | -178.4 | -161.2 | 18.1 | 0 | 0 | 0 | 114.2 | D1809 I1835 I1908 S1912 | D1809-N1910 PolarHBondContact OD1-ND2 2.51Å; D1809-N1910 VanDerWaalsContact OD1-ND2 3.14Å; D1809-N1910 PolarHBondContact OD2-ND2 3.24Å; I1835-N1910 HydrophobicContact CD1-CB 4.4Å; I1835-N1910 VanDerWaalsContact CD1-ND2 3.34Å; I1835-N1910 WeakPolarHBondContact CD1-ND2 3.25Å; I1908-N1910 VanDerWaalsContact C-N 3.27Å; I1908-N1910 WeakPolarHBondContact CG2-OD1 3.16Å; I1908-N1910 PolarHBondContact O-N 3.08Å; I1908-N1910 VanDerWaalsContact O-N 3.11Å; N1910-S1912 VanDerWaalsContact C-N 3.3Å; N1910-S1912 PolarHBondContact ND2-OG 2.81Å; N1910-S1912 PolarHBondContact O-N 2.91Å; N1910-S1912 VanDerWaalsContact O-N 3.13Å; N1910-S1912 WeakPolarHBondContact OD1-CB 3.12Å; N1910-S1912 PolarHBondContact OD1-N 2.82Å; N1910-S1912 PolarHBondContact OD1-OG 2.84Å |
| 1911 | G | 60.1 | Low | 78.2 | Confident | 65.6 Ų | 65.6 | 54.7 Ų | 54.7 | 68% | 0.676 | 31% | 0.314 | S | S | * | . | S | Bend | trans | 79.4 | -1.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | I1908 S1909 L1913 | I1908-G1911 PolarHBondContact O-N 3.11Å; I1908-G1911 VanDerWaalsContact O-N 3.14Å; S1909-G1911 VanDerWaalsContact C-N 3.27Å; S1909-G1911 PolarHBondContact O-N 3.06Å; G1911-L1913 PolarHBondContact O-N 3.05Å |
| 1912 | S | 63.3 | Low | 78.2 | Confident | 42.4 Ų | 42.4 | 52 Ų | 52 | 30% | 0.297 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 118.2 | 170.2 | -19.1 | 0 | 0 | 0 | 0 | 109.8 | I1908 N1910 | I1908-S1912 WeakPolarHBondContact CB-O 3.45Å; I1908-S1912 WeakPolarHBondContact CB-OG 3.37Å; I1908-S1912 WeakPolarHBondContact CD1-OG 3.45Å; I1908-S1912 WeakPolarHBondContact CG2-OG 3.45Å; I1908-S1912 PolarHBondContact N-O 2.99Å; N1910-S1912 VanDerWaalsContact C-N 3.3Å; N1910-S1912 PolarHBondContact ND2-OG 2.81Å; N1910-S1912 PolarHBondContact O-N 2.91Å; N1910-S1912 VanDerWaalsContact O-N 3.13Å; N1910-S1912 WeakPolarHBondContact OD1-CB 3.12Å; N1910-S1912 PolarHBondContact OD1-N 2.82Å; N1910-S1912 PolarHBondContact OD1-OG 2.84Å |
| 1913 | L | 58 | Low | 78 | Confident | 143.4 Ų | 143.4 | 53.9 Ų | 53.9 | 75% | 0.751 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 120.9 | 172.6 | -80 | 153.6 | 0 | 0 | 0 | 109.2 | N1907 G1911 | N1907-L1913 VanDerWaalsContact OD1-CD2 3.32Å; N1907-L1913 WeakPolarHBondContact OD1-CD2 3.37Å; G1911-L1913 PolarHBondContact O-N 3.05Å |
| 1914 | M | 67 | Low | 77.9 | Confident | 23.8 Ų | 23.8 | 50.7 Ų | 50.7 | 12% | 0.117 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 130.8 | 164.5 | -132.2 | -173.3 | -115.1 | 0 | 0 | 108.2 | F1837 T1839 I1840 F1855 I1906 I1908 T1916 | F1837-M1914 HydrophobicContact CB-CE 3.88Å; F1837-M1914 HydrophobicContact CB-CG 4.21Å; F1837-M1914 HydrophobicContact CB-SD 4.32Å; F1837-M1914 HydrophobicContact CD1-CE 3.88Å; F1837-M1914 HydrophobicContact CG-CE 4.09Å; T1839-M1914 VanDerWaalsContact C-CE 3.47Å; I1840-M1914 HydrophobicContact CB-CE 3.9Å; I1840-M1914 HydrophobicContact CB-SD 4.3Å; I1840-M1914 HydrophobicContact CG2-CE 4.17Å; I1840-M1914 HydrophobicContact CG2-SD 4.29Å; F1855-M1914 HydrophobicContact CD1-CE 3.85Å; F1855-M1914 VanDerWaalsContact CD1-CE 3.46Å; F1855-M1914 HydrophobicContact CD1-SD 4.12Å; F1855-M1914 HydrophobicContact CE1-CE 3.55Å; F1855-M1914 VanDerWaalsContact CE1-CE 3.42Å; F1855-M1914 HydrophobicContact CE1-SD 4.01Å; I1906-M1914 HydrophobicContact CB-CB 4.46Å; I1906-M1914 HydrophobicContact CG2-CE 4.2Å; I1908-M1914 HydrophobicContact CD1-CB 4.27Å; I1908-M1914 HydrophobicContact CD1-CE 3.84Å; I1908-M1914 HydrophobicContact CD1-CG 4.33Å; I1908-M1914 HydrophobicContact CG1-CE 4.41Å; M1914-T1916 VanDerWaalsContact C-N 3.3Å; M1914-T1916 PolarHBondContact O-N 3.1Å; M1914-T1916 VanDerWaalsContact O-N 3.14Å |
| 1915 | T | 69.6 | Low | 77.9 | Confident | 143.8 Ų | 143.8 | 51.3 Ų | 51.3 | 88% | 0.882 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | -1 | 179.9 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | E1917 | T1915-E1917 PolarHBondContact O-N 2.89Å |
| 1916 | T | 77 | Confident | 78.2 | Confident | 48.4 Ų | 48.4 | 48.9 Ų | 48.9 | 30% | 0.297 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 129.9 | -173.4 | -35.3 | 0 | 0 | 0 | 0 | 111.4 | I1840 L1843 M1914 | I1840-T1916 HydrophobicContact CG2-CG2 3.79Å; L1843-T1916 HydrophobicContact CD1-CG2 4.44Å; L1843-T1916 HydrophobicContact CD2-CG2 3.52Å; L1843-T1916 VanDerWaalsContact CD2-CG2 3.42Å; M1914-T1916 VanDerWaalsContact C-N 3.3Å; M1914-T1916 PolarHBondContact O-N 3.1Å; M1914-T1916 VanDerWaalsContact O-N 3.14Å |
| 1917 | E | 84 | Confident | 78.4 | Confident | 101.4 Ų | 101.4 | 52.4 Ų | 52.4 | 47% | 0.474 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 152.2 | 175.1 | -60.9 | -178.3 | 138.8 | 0 | 0 | 111.4 | K1903 V1904 T1915 | K1903-E1917 WeakPolarHBondContact CD-OE2 3.35Å; K1903-E1917 IonicContact NZ-OE2 3.2Å; K1903-E1917 PolarHBondContact NZ-OE2 2.91Å; K1903-E1917 VanDerWaalsContact NZ-OE2 3.15Å; V1904-E1917 WeakPolarHBondContact O-CA 3.29Å; T1915-E1917 PolarHBondContact O-N 2.89Å |
| 1918 | Y | 88.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 144.4 | 173.3 | -177 | -96.3 | 0 | 0 | 0 | 111.5 | P1842 L1843 E1844 G1845 T1851 I1853 F1869 T1890 K1903 V1904 Y1920 | P1842-Y1918 WeakPolarHBondContact O-CE2 3.44Å; L1843-Y1918 VanDerWaalsContact C-CD2 3.42Å; L1843-Y1918 VanDerWaalsContact C-CE2 3.48Å; L1843-Y1918 WeakPolarHBondContact O-CA 3.45Å; L1843-Y1918 WeakPolarHBondContact O-CD2 3.32Å; E1844-Y1918 VanDerWaalsContact C-CZ 3.48Å; E1844-Y1918 VanDerWaalsContact N-CE2 3.33Å; E1844-Y1918 PolarHBondContact O-OH 3.04Å; G1845-Y1918 VanDerWaalsContact CA-OH 3.27Å; G1845-Y1918 WeakPolarHBondContact CA-OH 3.33Å; G1845-Y1918 PolarHBondContact N-OH 2.9Å; G1845-Y1918 VanDerWaalsContact N-OH 3.13Å; T1851-Y1918 WeakPolarHBondContact CB-OH 3.29Å; T1851-Y1918 WeakPolarHBondContact CG2-OH 3.47Å; T1851-Y1918 PolarHBondContact OG1-OH 3.48Å; I1853-Y1918 HydrophobicContact CD1-CD2 3.67Å; I1853-Y1918 HydrophobicContact CD1-CE1 4.42Å; I1853-Y1918 HydrophobicContact CD1-CE2 3.34Å; I1853-Y1918 VanDerWaalsContact CD1-CE2 3.43Å; I1853-Y1918 HydrophobicContact CD1-CG 4.34Å; I1853-Y1918 HydrophobicContact CG1-CE2 4Å; F1869-Y1918 AromaticContact CD1-CD1 3.83Å; F1869-Y1918 HydrophobicContact CD1-CD1 3.83Å; F1869-Y1918 HydrophobicContact CD1-CE1 4.46Å; F1869-Y1918 AromaticContact CD1-CG 3.95Å; F1869-Y1918 HydrophobicContact CD1-CG 3.97Å; F1869-Y1918 AromaticContact CE1-CD1 3.73Å; F1869-Y1918 HydrophobicContact CE1-CD1 3.73Å; F1869-Y1918 AromaticContact CE1-CD2 3.91Å; F1869-Y1918 HydrophobicContact CE1-CD2 3.98Å; F1869-Y1918 HydrophobicContact CE1-CE1 4.33Å; F1869-Y1918 HydrophobicContact CE1-CE2 4.46Å; F1869-Y1918 AromaticContact CE1-CG 3.49Å; F1869-Y1918 HydrophobicContact CE1-CG 3.49Å; F1869-Y1918 VanDerWaalsContact CE1-CG 3.45Å; T1890-Y1918 HydrophobicContact CG2-CD1 4.49Å; T1890-Y1918 HydrophobicContact CG2-CE1 3.82Å; T1890-Y1918 HydrophobicContact CG2-CE2 4.43Å; T1890-Y1918 WeakPolarHBondContact CG2-OH 3.12Å; K1903-Y1918 CarbonylContact C-O 3.53Å; K1903-Y1918 WeakPolarHBondContact CA-O 3.37Å; V1904-Y1918 HydrophobicContact CG2-CD1 4.19Å; V1904-Y1918 VanDerWaalsContact CG2-O 3.31Å; V1904-Y1918 WeakPolarHBondContact CG2-O 3.25Å; V1904-Y1918 PolarHBondContact N-O 3.13Å; V1904-Y1918 PolarHBondContact O-N 3.03Å; Y1918-Y1920 AromaticContact CD1-CD2 3.96Å; Y1918-Y1920 HydrophobicContact CD1-CD2 4.14Å; Y1918-Y1920 AromaticContact CD1-CE2 3.84Å; Y1918-Y1920 HydrophobicContact CD1-CE2 3.89Å; Y1918-Y1920 HydrophobicContact CD1-CG 4.49Å; Y1918-Y1920 HydrophobicContact CE1-CD1 4.21Å; Y1918-Y1920 HydrophobicContact CE1-CD2 4.27Å; Y1918-Y1920 AromaticContact CE1-CE1 3.98Å; Y1918-Y1920 HydrophobicContact CE1-CE1 4.12Å; Y1918-Y1920 AromaticContact CE1-CE2 3.95Å; Y1918-Y1920 HydrophobicContact CE1-CE2 4.07Å; Y1918-Y1920 HydrophobicContact CE1-CG 4.32Å; Y1918-Y1920 AromaticContact CE1-CZ 3.89Å |
| 1919 | T | 89.8 | Confident | 79.2 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 16% | 0.16 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.4 | -175.8 | -47.6 | 0 | 0 | 0 | 0 | 113 | L1843 E1844 G1845 N1901 Y1902 K1903 I1921 | L1843-T1919 PolarHBondContact O-N 2.92Å; E1844-T1919 CarbonylContact C-O 3.52Å; E1844-T1919 WeakPolarHBondContact CA-O 3.3Å; E1844-T1919 WeakPolarHBondContact CB-O 3.35Å; G1845-T1919 PolarHBondContact N-O 3.1Å; N1901-T1919 HydrophobicContact CB-CG2 4.22Å; Y1902-T1919 CarbonylContact O-C 3.5Å; Y1902-T1919 WeakPolarHBondContact O-CA 3.32Å; K1903-T1919 HydrophobicContact CG-CG2 4.09Å; T1919-I1921 HydrophobicContact CG2-CD1 4.3Å; T1919-I1921 HydrophobicContact CG2-CG1 3.95Å; T1919-I1921 WeakPolarHBondContact O-CG1 3.46Å |
| 1920 | Y | 88.8 | Confident | 80 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 132.6 | 168.5 | -68.7 | -92 | 0 | 0 | 0 | 110.4 | G1845 S1846 F1847 F1869 P1891 Q1893 N1901 Y1902 V1904 Y1918 | G1845-Y1920 CarbonylContact O-C 3.57Å; G1845-Y1920 WeakPolarHBondContact O-CA 3.19Å; S1846-Y1920 WeakPolarHBondContact O-CD1 3.34Å; S1846-Y1920 VanDerWaalsContact O-CE1 3.32Å; S1846-Y1920 WeakPolarHBondContact O-CE1 3.25Å; F1847-Y1920 HydrophobicContact CD1-CG 4.47Å; F1869-Y1920 HydrophobicContact CD1-CE2 4.27Å; P1891-Y1920 WeakPolarHBondContact CD-OH 3.26Å; P1891-Y1920 WeakPolarHBondContact CG-OH 3.26Å; P1891-Y1920 VanDerWaalsContact O-CE1 3.27Å; P1891-Y1920 WeakPolarHBondContact O-CE1 3.28Å; P1891-Y1920 PolarHBondContact O-OH 3.08Å; P1891-Y1920 VanDerWaalsContact O-OH 3.11Å; Q1893-Y1920 HydrophobicContact CB-CD1 4.32Å; Q1893-Y1920 HydrophobicContact CB-CD2 4.42Å; Q1893-Y1920 HydrophobicContact CB-CE1 4.26Å; Q1893-Y1920 HydrophobicContact CB-CE2 4.47Å; Q1893-Y1920 HydrophobicContact CB-CG 4.39Å; Q1893-Y1920 HydrophobicContact CG-CD1 4.15Å; Q1893-Y1920 HydrophobicContact CG-CD2 3.99Å; Q1893-Y1920 HydrophobicContact CG-CE1 3.83Å; Q1893-Y1920 HydrophobicContact CG-CE2 3.65Å; Q1893-Y1920 HydrophobicContact CG-CG 4.23Å; Q1893-Y1920 VanDerWaalsContact CG-CZ 3.46Å; N1901-Y1920 CarbonylContact C-O 3.56Å; N1901-Y1920 VanDerWaalsContact CA-O 3.28Å; N1901-Y1920 WeakPolarHBondContact CA-O 3.11Å; Y1902-Y1920 HydrophobicContact CD1-CD2 4.27Å; Y1902-Y1920 PolarHBondContact N-O 3.03Å; Y1902-Y1920 PolarHBondContact O-N 3.08Å; V1904-Y1920 HydrophobicContact CB-CE2 4.44Å; V1904-Y1920 HydrophobicContact CG1-CD2 4.05Å; V1904-Y1920 HydrophobicContact CG1-CE2 3.95Å; V1904-Y1920 HydrophobicContact CG2-CD2 4.17Å; V1904-Y1920 HydrophobicContact CG2-CE2 3.7Å; Y1918-Y1920 AromaticContact CD1-CD2 3.96Å; Y1918-Y1920 HydrophobicContact CD1-CD2 4.14Å; Y1918-Y1920 AromaticContact CD1-CE2 3.84Å; Y1918-Y1920 HydrophobicContact CD1-CE2 3.89Å; Y1918-Y1920 HydrophobicContact CD1-CG 4.49Å; Y1918-Y1920 HydrophobicContact CE1-CD1 4.21Å; Y1918-Y1920 HydrophobicContact CE1-CD2 4.27Å; Y1918-Y1920 AromaticContact CE1-CE1 3.98Å; Y1918-Y1920 HydrophobicContact CE1-CE1 4.12Å; Y1918-Y1920 AromaticContact CE1-CE2 3.95Å; Y1918-Y1920 HydrophobicContact CE1-CE2 4.07Å; Y1918-Y1920 HydrophobicContact CE1-CG 4.32Å; Y1918-Y1920 AromaticContact CE1-CZ 3.89Å |
| 1921 | I | 86.8 | Confident | 81.2 | Confident | 15 Ų | 15 | 54.5 Ų | 54.5 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 133.7 | -171.6 | -53.9 | -178.4 | 0 | 0 | 0 | 111.6 | E1844 G1845 F1847 D1900 N1901 T1919 S1923 K1924 T1925 | E1844-I1921 HydrophobicContact CB-CD1 3.76Å; E1844-I1921 HydrophobicContact CB-CG1 4.32Å; E1844-I1921 HydrophobicContact CG-CD1 4.27Å; E1844-I1921 VanDerWaalsContact OE2-CD1 3.28Å; E1844-I1921 WeakPolarHBondContact OE2-CD1 3.39Å; G1845-I1921 PolarHBondContact O-N 2.96Å; F1847-I1921 VanDerWaalsContact CE2-C 3.47Å; D1900-I1921 WeakPolarHBondContact O-CA 3.29Å; N1901-I1921 WeakPolarHBondContact OD1-CG1 3.43Å; N1901-I1921 WeakPolarHBondContact OD1-CG2 3.37Å; T1919-I1921 HydrophobicContact CG2-CD1 4.3Å; T1919-I1921 HydrophobicContact CG2-CG1 3.95Å; T1919-I1921 WeakPolarHBondContact O-CG1 3.46Å; I1921-S1923 VanDerWaalsContact C-N 3.3Å; I1921-S1923 WeakPolarHBondContact CG2-OG 3.32Å; I1921-S1923 PolarHBondContact O-N 3.45Å; I1921-K1924 HydrophobicContact CB-CB 4.27Å; I1921-K1924 HydrophobicContact CB-CG 4.11Å; I1921-K1924 HydrophobicContact CD1-CG 4.27Å; I1921-K1924 HydrophobicContact CG1-CG 4.44Å; I1921-K1924 HydrophobicContact CG2-CB 4.42Å; I1921-K1924 HydrophobicContact CG2-CG 4.15Å; I1921-K1924 CarbonylContact O-C 3.44Å; I1921-K1924 PolarHBondContact O-N 2.96Å; I1921-K1924 VanDerWaalsContact O-N 3.15Å; I1921-T1925 PolarHBondContact O-N 2.86Å; I1921-T1925 PolarHBondContact O-OG1 2.93Å; I1921-T1925 VanDerWaalsContact O-OG1 3.12Å |
| 1922 | S | 82.6 | Confident | 82.6 | Confident | 47 Ų | 47 | 54 Ų | 54 | 33% | 0.329 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -66.8 | -42.8 | -177.2 | 105 | 0 | 0 | 0 | 0 | 112.1 | F1847 D1900 K1924 T1925 | F1847-S1922 VanDerWaalsContact CE2-N 3.3Å; D1900-S1922 PolarHBondContact O-N 2.86Å; D1900-S1922 PolarHBondContact O-OG 3.03Å; D1900-S1922 PolarHBondContact OD1-OG 2.93Å; S1922-K1924 PolarHBondContact O-N 2.98Å; S1922-T1925 WeakPolarHBondContact O-CB 3.35Å; S1922-T1925 PolarHBondContact O-N 3.02Å; S1922-T1925 PolarHBondContact O-OG1 3Å |
| 1923 | S | 84.1 | Confident | 83.8 | Confident | 81.4 Ų | 81.4 | 55.6 Ų | 55.6 | 57% | 0.569 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -66.2 | -3.1 | 175.4 | 64.9 | 0 | 0 | 0 | 0 | 114.6 | I1921 M1952 | I1921-S1923 VanDerWaalsContact C-N 3.3Å; I1921-S1923 WeakPolarHBondContact CG2-OG 3.32Å; I1921-S1923 PolarHBondContact O-N 3.45Å; S1923-M1952 WeakPolarHBondContact O-CE 3.41Å; S1923-M1952 VanDerWaalsContact O-SD 3.37Å |
| 1924 | K | 84.3 | Confident | 85.2 | Confident | 64 Ų | 64 | 52.6 Ų | 52.6 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -114.6 | 19 | 174.6 | -61.2 | -87.4 | -177.1 | 167.4 | 0 | 112 | E1844 S1846 I1921 S1922 Y2003 | E1844-K1924 HydrophobicContact CG-CD 4.32Å; E1844-K1924 VanDerWaalsContact OE1-CE 3.29Å; E1844-K1924 WeakPolarHBondContact OE1-CE 3.32Å; E1844-K1924 IonicContact OE1-NZ 3.16Å; E1844-K1924 PolarHBondContact OE1-NZ 3.12Å; S1846-K1924 WeakPolarHBondContact CA-O 3.3Å; S1846-K1924 WeakPolarHBondContact CB-O 3.36Å; S1846-K1924 PolarHBondContact OG-O 3.2Å; I1921-K1924 HydrophobicContact CB-CB 4.27Å; I1921-K1924 HydrophobicContact CB-CG 4.11Å; I1921-K1924 HydrophobicContact CD1-CG 4.27Å; I1921-K1924 HydrophobicContact CG1-CG 4.44Å; I1921-K1924 HydrophobicContact CG2-CB 4.42Å; I1921-K1924 HydrophobicContact CG2-CG 4.15Å; I1921-K1924 CarbonylContact O-C 3.44Å; I1921-K1924 PolarHBondContact O-N 2.96Å; I1921-K1924 VanDerWaalsContact O-N 3.15Å; S1922-K1924 PolarHBondContact O-N 2.98Å; K1924-Y2003 HydrophobicContact CB-CD1 4.1Å; K1924-Y2003 HydrophobicContact CB-CE1 4.33Å; K1924-Y2003 HydrophobicContact CD-CD1 4.08Å; K1924-Y2003 HydrophobicContact CD-CE1 3.84Å; K1924-Y2003 HydrophobicContact CG-CE1 4.46Å; K1924-Y2003 WeakPolarHBondContact O-CB 3.35Å; K1924-Y2003 WeakPolarHBondContact O-CD1 3.44Å |
| 1925 | T | 87.1 | Confident | 86.1 | Confident | 14.4 Ų | 14.4 | 55.5 Ų | 55.5 | 9% | 0.088 | 31% | 0.311 | C | S | . | . | trans | -114.8 | 108.2 | -176.9 | -57 | 0 | 0 | 0 | 0 | 111.7 | S1846 F1847 A1848 I1921 S1922 M1952 L2007 | S1846-T1925 WeakPolarHBondContact OG-CA 3.28Å; S1846-T1925 WeakPolarHBondContact OG-CG2 3.39Å; S1846-T1925 PolarHBondContact OG-OG1 3.18Å; F1847-T1925 HydrophobicContact CB-CG2 4.23Å; F1847-T1925 PolarHBondContact N-OG1 3.18Å; F1847-T1925 VanDerWaalsContact N-OG1 3.11Å; A1848-T1925 HydrophobicContact CB-CG2 4.08Å; I1921-T1925 PolarHBondContact O-N 2.86Å; I1921-T1925 PolarHBondContact O-OG1 2.93Å; I1921-T1925 VanDerWaalsContact O-OG1 3.12Å; S1922-T1925 WeakPolarHBondContact O-CB 3.35Å; S1922-T1925 PolarHBondContact O-N 3.02Å; S1922-T1925 PolarHBondContact O-OG1 3Å; T1925-M1952 WeakPolarHBondContact O-CE 3.45Å; T1925-L2007 HydrophobicContact CG2-CD1 3.96Å; T1925-L2007 HydrophobicContact CG2-CG 4.01Å | ||
| 1926 | P | 89.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -67.3 | 154.8 | 177.9 | -17.2 | 29.8 | 0 | 0 | 0 | 113.8 | I1951 M1952 T2000 Y2003 Y2005 A2006 L2007 | P1926-I1951 WeakPolarHBondContact CA-O 3.44Å; P1926-M1952 HydrophobicContact CB-CB 4.03Å; P1926-M1952 WeakPolarHBondContact CB-O 3.4Å; P1926-M1952 HydrophobicContact CG-CB 4.22Å; P1926-M1952 WeakPolarHBondContact CG-O 3.36Å; P1926-T2000 HydrophobicContact CB-CG2 4.35Å; P1926-T2000 HydrophobicContact CG-CG2 4.11Å; P1926-T2000 WeakPolarHBondContact CG-OG1 3.38Å; P1926-Y2003 HydrophobicContact CG-CD2 4.25Å; P1926-Y2003 HydrophobicContact CG-CG 4.23Å; P1926-Y2005 WeakPolarHBondContact CD-O 3.38Å; P1926-A2006 HydrophobicContact CB-CB 3.83Å; P1926-A2006 CarbonylContact O-C 3.51Å; P1926-A2006 VanDerWaalsContact O-CA 3.26Å; P1926-A2006 WeakPolarHBondContact O-CA 3.31Å; P1926-L2007 PolarHBondContact O-N 3.05Å | ||
| 1927 | K | 88.5 | Confident | 87.2 | Confident | 74.8 Ų | 74.8 | 53.7 Ų | 53.7 | 33% | 0.325 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 136 | 179.2 | -179.8 | 172.8 | -177 | 168.8 | 0 | 112.3 | G1950 I1951 L2007 E2009 | K1927-G1950 CarbonylContact O-C 3.52Å; K1927-G1950 WeakPolarHBondContact O-CA 3.24Å; K1927-I1951 HydrophobicContact CB-CD1 4.1Å; K1927-I1951 HydrophobicContact CB-CG1 3.79Å; K1927-I1951 PolarHBondContact N-O 3.16Å; K1927-I1951 VanDerWaalsContact N-O 3.11Å; K1927-I1951 PolarHBondContact O-N 3.01Å; K1927-L2007 WeakPolarHBondContact CA-O 3.45Å; K1927-L2007 HydrophobicContact CB-CB 4.37Å; K1927-L2007 HydrophobicContact CG-CB 4.25Å; K1927-E2009 WeakPolarHBondContact CE-OE1 3.36Å; K1927-E2009 IonicContact NZ-OE1 3.17Å; K1927-E2009 PolarHBondContact NZ-OE1 3.1Å |
| 1928 | V | 89.8 | Confident | 86.8 | Confident | 9.8 Ų | 9.8 | 54.6 Ų | 54.6 | 6% | 0.059 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 135.3 | 170.2 | 177.7 | 0 | 0 | 0 | 0 | 109.7 | I1931 I1948 L1953 L1996 V1998 A2006 L2007 I2008 | V1928-I1931 HydrophobicContact CG1-CD1 4.31Å; V1928-I1931 HydrophobicContact CG1-CG1 4.01Å; V1928-I1948 HydrophobicContact CB-CG2 4.46Å; V1928-I1948 HydrophobicContact CG1-CG2 3.64Å; V1928-I1948 HydrophobicContact CG2-CG2 4.02Å; V1928-L1953 HydrophobicContact CG2-CD2 4.1Å; V1928-L1996 HydrophobicContact CG1-CD2 4.34Å; V1928-L1996 HydrophobicContact CG2-CD2 4.43Å; V1928-V1998 HydrophobicContact CG2-CB 4.5Å; V1928-V1998 HydrophobicContact CG2-CG2 3.91Å; V1928-A2006 HydrophobicContact CG2-CB 4.12Å; V1928-L2007 PolarHBondContact N-O 2.98Å; V1928-I2008 HydrophobicContact CB-CG1 3.87Å; V1928-I2008 HydrophobicContact CG2-CD1 4.22Å; V1928-I2008 HydrophobicContact CG2-CG1 3.72Å |
| 1929 | I | 88.1 | Confident | 86.2 | Confident | 116.8 Ų | 116.8 | 61.5 Ų | 61.5 | 60% | 0.599 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -43.6 | -176.5 | -63.3 | 167.8 | 0 | 0 | 0 | 111.6 | Y1949 I1951 | I1929-Y1949 WeakPolarHBondContact CA-O 3.43Å; I1929-Y1949 PolarHBondContact N-O 3.04Å; I1929-I1951 HydrophobicContact CD1-CG2 4.29Å |
| 1930 | N | 88 | Confident | 85.4 | Confident | 88.6 Ų | 88.6 | 62.2 Ų | 62.2 | 47% | 0.474 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 154.5 | -175.1 | -170 | 23.6 | 0 | 0 | 0 | 112.7 | I1948 Y1949 | N1930-I1948 CarbonylContact O-C 3.43Å; N1930-I1948 WeakPolarHBondContact O-CA 3.45Å; N1930-Y1949 HydrophobicContact CB-CD2 4.29Å; N1930-Y1949 PolarHBondContact N-O 3.18Å; N1930-Y1949 VanDerWaalsContact N-O 3.14Å; N1930-Y1949 PolarHBondContact O-N 2.75Å |
| 1931 | I | 89.2 | Confident | 85 | Confident | 38.6 Ų | 38.6 | 63.8 Ų | 63.8 | 20% | 0.198 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 135.7 | -179.2 | -51 | 158.8 | 0 | 0 | 0 | 110.6 | V1928 L1946 N1947 I1948 L1996 I2012 | V1928-I1931 HydrophobicContact CG1-CD1 4.31Å; V1928-I1931 HydrophobicContact CG1-CG1 4.01Å; I1931-L1946 HydrophobicContact CG2-CD1 4.29Å; I1931-L1946 HydrophobicContact CG2-CD2 4Å; I1931-L1946 HydrophobicContact CG2-CG 3.87Å; I1931-N1947 CarbonylContact C-O 3.5Å; I1931-N1947 VanDerWaalsContact CA-O 3.25Å; I1931-N1947 WeakPolarHBondContact CA-O 3.23Å; I1931-I1948 HydrophobicContact CG1-CG1 4.45Å; I1931-I1948 HydrophobicContact CG1-CG2 4.47Å; I1931-I1948 HydrophobicContact CG2-CG1 4.31Å; I1931-L1996 HydrophobicContact CD1-CB 4.4Å; I1931-L1996 HydrophobicContact CD1-CD2 3.47Å; I1931-L1996 VanDerWaalsContact CD1-CD2 3.46Å; I1931-L1996 HydrophobicContact CD1-CG 4.48Å; I1931-L1996 HydrophobicContact CG1-CD2 4.01Å; I1931-I2012 HydrophobicContact CD1-CD1 4.36Å; I1931-I2012 HydrophobicContact CD1-CG1 4.4Å; I1931-I2012 HydrophobicContact CG2-CD1 4.09Å |
| 1932 | T | 89.9 | Confident | 84.8 | Confident | 54.4 Ų | 54.4 | 65.3 Ų | 65.3 | 33% | 0.334 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 152.7 | 172.1 | 63 | 0 | 0 | 0 | 0 | 112 | L1946 N1947 | T1932-L1946 CarbonylContact O-C 3.59Å; T1932-L1946 WeakPolarHBondContact O-CA 3.42Å; T1932-N1947 PolarHBondContact N-O 2.81Å; T1932-N1947 PolarHBondContact O-N 3.08Å; T1932-N1947 WeakPolarHBondContact OG1-CB 3.33Å; T1932-N1947 PolarHBondContact OG1-ND2 3.14Å |
| 1933 | M | 88.3 | Confident | 85.1 | Confident | 75.6 Ų | 75.6 | 63.5 Ų | 63.5 | 37% | 0.372 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 129.7 | -176.9 | -136.7 | -173.2 | -66.6 | 0 | 0 | 111.6 | T1944 Q1945 L1946 L1989 I2012 V2014 | M1933-T1944 HydrophobicContact CE-CG2 4.17Å; M1933-T1944 HydrophobicContact CG-CG2 3.61Å; M1933-T1944 HydrophobicContact SD-CG2 3.91Å; M1933-T1944 VanDerWaalsContact SD-CG2 3.54Å; M1933-Q1945 CarbonylContact C-O 3.38Å; M1933-Q1945 VanDerWaalsContact CA-O 3.3Å; M1933-Q1945 WeakPolarHBondContact CA-O 3.33Å; M1933-L1946 HydrophobicContact CB-CD2 3.85Å; M1933-L1946 HydrophobicContact CE-CD2 3.75Å; M1933-L1946 HydrophobicContact CG-CD1 3.49Å; M1933-L1946 VanDerWaalsContact CG-CD1 3.49Å; M1933-L1946 HydrophobicContact CG-CD2 3.75Å; M1933-L1946 HydrophobicContact CG-CG 4.11Å; M1933-L1946 HydrophobicContact SD-CD1 4.21Å; M1933-L1946 HydrophobicContact SD-CD2 4.03Å; M1933-L1989 HydrophobicContact CE-CD2 3.62Å; M1933-L1989 VanDerWaalsContact CE-CD2 3.42Å; M1933-L1989 HydrophobicContact SD-CD2 4.22Å; M1933-I2012 HydrophobicContact CE-CG2 3.36Å; M1933-I2012 VanDerWaalsContact CE-CG2 3.45Å; M1933-I2012 HydrophobicContact SD-CG2 3.5Å; M1933-I2012 WeakPolarHBondContact SD-CG2 3.09Å; M1933-V2014 HydrophobicContact CE-CG2 4.18Å; M1933-V2014 HydrophobicContact SD-CG2 4.35Å |
| 1934 | N | 89 | Confident | 85.4 | Confident | 80.6 Ų | 80.6 | 60.1 Ų | 60.1 | 43% | 0.431 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 154.1 | 178.9 | -61.9 | -27.2 | 0 | 0 | 0 | 110.9 | T1944 Q1945 N1947 | N1934-T1944 CarbonylContact O-C 3.34Å; N1934-Q1945 HydrophobicContact CB-CB 4.47Å; N1934-Q1945 PolarHBondContact N-O 2.82Å; N1934-Q1945 PolarHBondContact O-N 3.18Å; N1934-N1947 PolarHBondContact ND2-ND2 3.09Å |
| 1935 | S | 85 | Confident | 85.7 | Confident | 84 Ų | 84 | 58.2 Ų | 58.2 | 59% | 0.587 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 130.5 | 166.5 | 18.4 | 0 | 0 | 0 | 0 | 110 | I1943 L2063 | S1935-I1943 WeakPolarHBondContact CA-O 3.35Å; S1935-L2063 WeakPolarHBondContact OG-CD1 3.23Å |
| 1936 | I | 86.7 | Confident | 86 | Confident | 43 Ų | 43 | 57.6 Ų | 57.6 | 22% | 0.221 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 153.4 | 177.5 | 62.2 | 165.5 | 0 | 0 | 0 | 110.1 | Y1938 L1942 I1943 Q1945 | I1936-Y1938 HydrophobicContact CD1-CD2 4.47Å; I1936-L1942 CarbonylContact O-C 3.53Å; I1936-L1942 WeakPolarHBondContact O-CA 3.36Å; I1936-I1943 HydrophobicContact CD1-CD1 4.2Å; I1936-I1943 HydrophobicContact CD1-CG1 4.04Å; I1936-I1943 HydrophobicContact CG1-CD1 4.29Å; I1936-I1943 HydrophobicContact CG1-CG1 3.62Å; I1936-I1943 PolarHBondContact N-O 2.82Å; I1936-I1943 PolarHBondContact O-N 3.17Å; I1936-Q1945 HydrophobicContact CD1-CB 4.05Å; I1936-Q1945 HydrophobicContact CG1-CB 4.14Å; I1936-Q1945 HydrophobicContact CG2-CB 4.15Å |
| 1937 | N | 82.3 | Confident | 86.1 | Confident | 113 Ų | 113 | 58 Ų | 58 | 60% | 0.604 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 115.9 | 169.6 | -169.5 | -24.3 | 0 | 0 | 0 | 108.8 | G1940 T1941 L1942 | N1937-G1940 VanDerWaalsContact OD1-C 3.3Å; N1937-G1940 VanDerWaalsContact OD1-CA 3.26Å; N1937-G1940 WeakPolarHBondContact OD1-CA 3.27Å; N1937-G1940 PolarHBondContact OD1-N 3.01Å; N1937-G1940 VanDerWaalsContact OD1-N 3.1Å; N1937-T1941 PolarHBondContact OD1-N 3.17Å; N1937-L1942 HydrophobicContact CB-CD2 4.26Å |
| 1938 | Y | 77.4 | Confident | 86.3 | Confident | 120 Ų | 120 | 54.4 Ų | 54.4 | 47% | 0.471 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.7 | 178.2 | -172.7 | -96.8 | 0 | 0 | 0 | 108.8 | I1936 G1940 T1941 I1943 I1975 N1985 | I1936-Y1938 HydrophobicContact CD1-CD2 4.47Å; Y1938-G1940 VanDerWaalsContact C-N 3.27Å; Y1938-G1940 PolarHBondContact O-N 3.09Å; Y1938-T1941 PolarHBondContact N-O 2.73Å; Y1938-T1941 PolarHBondContact O-N 2.84Å; Y1938-T1941 VanDerWaalsContact O-O 3.07Å; Y1938-I1943 VanDerWaalsContact CB-CD1 3.49Å; Y1938-I1943 HydrophobicContact CD1-CD1 4.11Å; Y1938-I1943 HydrophobicContact CD2-CD1 4.25Å; Y1938-I1943 HydrophobicContact CG-CD1 3.72Å; Y1938-I1943 HydrophobicContact CG-CG1 4.36Å; Y1938-I1975 HydrophobicContact CE2-CD1 4.01Å; Y1938-N1985 WeakPolarHBondContact CD2-ND2 3.48Å |
| 1939 | N | 75.7 | Confident | 86.4 | Confident | 144.2 Ų | 144.2 | 58.6 Ų | 58.6 | 77% | 0.771 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 42.7 | -177.3 | -65.2 | -11 | 0 | 0 | 0 | 114.1 | T1941 | N1939-T1941 VanDerWaalsContact C-N 3.3Å; N1939-T1941 PolarHBondContact O-N 3.1Å |
| 1940 | G | 73.6 | Confident | 86.6 | Confident | 42 Ų | 42 | 53.3 Ų | 53.3 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 11 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N1937 Y1938 K2066 | N1937-G1940 VanDerWaalsContact OD1-C 3.3Å; N1937-G1940 VanDerWaalsContact OD1-CA 3.26Å; N1937-G1940 WeakPolarHBondContact OD1-CA 3.27Å; N1937-G1940 PolarHBondContact OD1-N 3.01Å; N1937-G1940 VanDerWaalsContact OD1-N 3.1Å; Y1938-G1940 VanDerWaalsContact C-N 3.27Å; Y1938-G1940 PolarHBondContact O-N 3.09Å; G1940-K2066 PolarHBondContact O-NZ 2.86Å; G1940-K2066 VanDerWaalsContact O-NZ 3.13Å |
| 1941 | T | 79.7 | Confident | 86.6 | Confident | 33.6 Ų | 33.6 | 53 Ų | 53 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.8 | 174.6 | -53.3 | 0 | 0 | 0 | 0 | 109.5 | N1937 Y1938 N1939 I1943 L1987 | N1937-T1941 PolarHBondContact OD1-N 3.17Å; Y1938-T1941 PolarHBondContact N-O 2.73Å; Y1938-T1941 PolarHBondContact O-N 2.84Å; Y1938-T1941 VanDerWaalsContact O-O 3.07Å; N1939-T1941 VanDerWaalsContact C-N 3.3Å; N1939-T1941 PolarHBondContact O-N 3.1Å; T1941-I1943 HydrophobicContact CG2-CG2 4.28Å; T1941-I1943 PolarHBondContact O-N 2.95Å; T1941-L1987 HydrophobicContact CG2-CD1 4.01Å |
| 1942 | L | 83.3 | Confident | 86.4 | Confident | 45.8 Ų | 45.8 | 53.2 Ų | 53.2 | 24% | 0.24 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 123.6 | 174.6 | -72.6 | 169.8 | 0 | 0 | 0 | 109.7 | I1936 N1937 S2061 L2063 A2064 | I1936-L1942 CarbonylContact O-C 3.53Å; I1936-L1942 WeakPolarHBondContact O-CA 3.36Å; N1937-L1942 HydrophobicContact CB-CD2 4.26Å; L1942-S2061 WeakPolarHBondContact O-CB 3.41Å; L1942-S2061 PolarHBondContact O-OG 2.93Å; L1942-L2063 HydrophobicContact CB-CB 3.9Å; L1942-L2063 HydrophobicContact CB-CD1 4.21Å; L1942-A2064 HydrophobicContact CB-CB 4.5Å; L1942-A2064 HydrophobicContact CD1-CB 4.34Å |
| 1943 | I | 88 | Confident | 86.3 | Confident | 9.4 Ų | 9.4 | 50.6 Ų | 50.6 | 5% | 0.048 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 165.7 | 179.2 | 68.6 | 172.2 | 0 | 0 | 0 | 111.6 | S1935 I1936 Y1938 T1941 N1985 L1987 | S1935-I1943 WeakPolarHBondContact CA-O 3.35Å; I1936-I1943 HydrophobicContact CD1-CD1 4.2Å; I1936-I1943 HydrophobicContact CD1-CG1 4.04Å; I1936-I1943 HydrophobicContact CG1-CD1 4.29Å; I1936-I1943 HydrophobicContact CG1-CG1 3.62Å; I1936-I1943 PolarHBondContact N-O 2.82Å; I1936-I1943 PolarHBondContact O-N 3.17Å; Y1938-I1943 VanDerWaalsContact CB-CD1 3.49Å; Y1938-I1943 HydrophobicContact CD1-CD1 4.11Å; Y1938-I1943 HydrophobicContact CD2-CD1 4.25Å; Y1938-I1943 HydrophobicContact CG-CD1 3.72Å; Y1938-I1943 HydrophobicContact CG-CG1 4.36Å; T1941-I1943 HydrophobicContact CG2-CG2 4.28Å; T1941-I1943 PolarHBondContact O-N 2.95Å; I1943-N1985 HydrophobicContact CD1-CB 3.78Å; I1943-N1985 WeakPolarHBondContact CD1-ND2 3.01Å; I1943-L1987 HydrophobicContact CG2-CD1 3.54Å; I1943-L1987 VanDerWaalsContact CG2-CD1 3.49Å |
| 1944 | T | 90 | Very high | 85.9 | Confident | 9.6 Ų | 9.6 | 48.9 Ų | 48.9 | 6% | 0.059 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 127.8 | 177.6 | -57.2 | 0 | 0 | 0 | 0 | 110 | M1933 N1934 N1985 I1986 L1989 | M1933-T1944 HydrophobicContact CE-CG2 4.17Å; M1933-T1944 HydrophobicContact CG-CG2 3.61Å; M1933-T1944 HydrophobicContact SD-CG2 3.91Å; M1933-T1944 VanDerWaalsContact SD-CG2 3.54Å; N1934-T1944 CarbonylContact O-C 3.34Å; T1944-N1985 CarbonylContact O-C 3.46Å; T1944-N1985 WeakPolarHBondContact O-CA 3.4Å; T1944-I1986 PolarHBondContact N-O 3.09Å; T1944-I1986 VanDerWaalsContact N-O 3.08Å; T1944-I1986 PolarHBondContact O-N 3.08Å; T1944-L1989 HydrophobicContact CG2-CD2 4.1Å |
| 1945 | Q | 92 | Very high | 85 | Confident | 24.2 Ų | 24.2 | 45.6 Ų | 45.6 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 130.3 | 171.7 | 175.6 | 176.7 | 88 | 0 | 0 | 110.1 | M1933 N1934 I1936 N1947 Q1983 C1984 N1985 | M1933-Q1945 CarbonylContact C-O 3.38Å; M1933-Q1945 VanDerWaalsContact CA-O 3.3Å; M1933-Q1945 WeakPolarHBondContact CA-O 3.33Å; N1934-Q1945 HydrophobicContact CB-CB 4.47Å; N1934-Q1945 PolarHBondContact N-O 2.82Å; N1934-Q1945 PolarHBondContact O-N 3.18Å; I1936-Q1945 HydrophobicContact CD1-CB 4.05Å; I1936-Q1945 HydrophobicContact CG1-CB 4.14Å; I1936-Q1945 HydrophobicContact CG2-CB 4.15Å; Q1945-N1947 PolarHBondContact OE1-ND2 2.98Å; Q1945-Q1983 VanDerWaalsContact CD-NE2 3.27Å; Q1945-Q1983 HydrophobicContact CG-CG 4.06Å; Q1945-Q1983 VanDerWaalsContact NE2-CD 3.26Å; Q1945-Q1983 VanDerWaalsContact NE2-NE2 3.16Å; Q1945-C1984 CarbonylContact C-O 3.47Å; Q1945-C1984 WeakPolarHBondContact CA-O 3.43Å; Q1945-N1985 WeakPolarHBondContact CB-OD1 3.18Å; Q1945-N1985 WeakPolarHBondContact CG-OD1 3.28Å; Q1945-N1985 PolarHBondContact NE2-OD1 2.82Å |
| 1946 | L | 92.1 | Very high | 84 | Confident | 0.6 Ų | 0.6 | 45.2 Ų | 45.2 | 0% | 0.003 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 134.7 | 172.8 | -85.8 | 158.6 | 0 | 0 | 0 | 110.7 | I1931 T1932 M1933 I1948 L1967 Q1983 C1984 I1986 L1996 I2012 | I1931-L1946 HydrophobicContact CG2-CD1 4.29Å; I1931-L1946 HydrophobicContact CG2-CD2 4Å; I1931-L1946 HydrophobicContact CG2-CG 3.87Å; T1932-L1946 CarbonylContact O-C 3.59Å; T1932-L1946 WeakPolarHBondContact O-CA 3.42Å; M1933-L1946 HydrophobicContact CB-CD2 3.85Å; M1933-L1946 HydrophobicContact CE-CD2 3.75Å; M1933-L1946 HydrophobicContact CG-CD1 3.49Å; M1933-L1946 VanDerWaalsContact CG-CD1 3.49Å; M1933-L1946 HydrophobicContact CG-CD2 3.75Å; M1933-L1946 HydrophobicContact CG-CG 4.11Å; M1933-L1946 HydrophobicContact SD-CD1 4.21Å; M1933-L1946 HydrophobicContact SD-CD2 4.03Å; L1946-I1948 HydrophobicContact CD2-CD1 3.85Å; L1946-I1948 HydrophobicContact CD2-CG1 3.77Å; L1946-L1967 HydrophobicContact CD1-CD1 3.53Å; L1946-L1967 VanDerWaalsContact CD1-CD1 3.47Å; L1946-L1967 HydrophobicContact CD1-CD2 3.97Å; L1946-L1967 HydrophobicContact CD1-CG 4.35Å; L1946-L1967 HydrophobicContact CD2-CD1 4.1Å; L1946-Q1983 CarbonylContact O-C 3.39Å; L1946-Q1983 VanDerWaalsContact O-CA 3.31Å; L1946-Q1983 WeakPolarHBondContact O-CA 3.37Å; L1946-C1984 PolarHBondContact N-O 3.11Å; L1946-C1984 PolarHBondContact O-N 3.05Å; L1946-I1986 HydrophobicContact CD1-CD1 3.56Å; L1946-I1986 HydrophobicContact CD1-CG1 4.39Å; L1946-I1986 HydrophobicContact CG-CD1 4.27Å; L1946-L1996 HydrophobicContact CD2-CD1 3.96Å; L1946-I2012 HydrophobicContact CD1-CD1 4.15Å; L1946-I2012 HydrophobicContact CD2-CD1 4.19Å |
| 1947 | N | 92.2 | Very high | 82.5 | Confident | 9.4 Ų | 9.4 | 47.8 Ų | 47.8 | 5% | 0.05 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 118 | 172.2 | -60.5 | -61.6 | 0 | 0 | 0 | 108.7 | I1931 T1932 N1934 Q1945 Y1949 Y1981 I1982 Q1983 | I1931-N1947 CarbonylContact C-O 3.5Å; I1931-N1947 VanDerWaalsContact CA-O 3.25Å; I1931-N1947 WeakPolarHBondContact CA-O 3.23Å; T1932-N1947 PolarHBondContact N-O 2.81Å; T1932-N1947 PolarHBondContact O-N 3.08Å; T1932-N1947 WeakPolarHBondContact OG1-CB 3.33Å; T1932-N1947 PolarHBondContact OG1-ND2 3.14Å; N1934-N1947 PolarHBondContact ND2-ND2 3.09Å; Q1945-N1947 PolarHBondContact OE1-ND2 2.98Å; N1947-Y1949 HydrophobicContact CB-CE2 4.09Å; N1947-Y1981 HydrophobicContact CB-CE2 4.01Å; N1947-Y1981 PolarHBondContact OD1-OH 3.02Å; N1947-I1982 CarbonylContact C-O 3.55Å; N1947-Q1983 WeakPolarHBondContact OD1-CG 3.46Å; N1947-Q1983 PolarHBondContact OD1-NE2 2.98Å |
| 1948 | I | 92.4 | Very high | 81.2 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.6 | -173.5 | -55.5 | 165.3 | 0 | 0 | 0 | 108.2 | V1928 N1930 I1931 L1946 L1953 V1965 Y1981 I1982 L1996 | V1928-I1948 HydrophobicContact CB-CG2 4.46Å; V1928-I1948 HydrophobicContact CG1-CG2 3.64Å; V1928-I1948 HydrophobicContact CG2-CG2 4.02Å; N1930-I1948 CarbonylContact O-C 3.43Å; N1930-I1948 WeakPolarHBondContact O-CA 3.45Å; I1931-I1948 HydrophobicContact CG1-CG1 4.45Å; I1931-I1948 HydrophobicContact CG1-CG2 4.47Å; I1931-I1948 HydrophobicContact CG2-CG1 4.31Å; L1946-I1948 HydrophobicContact CD2-CD1 3.85Å; L1946-I1948 HydrophobicContact CD2-CG1 3.77Å; I1948-L1953 HydrophobicContact CG2-CD1 4.31Å; I1948-V1965 HydrophobicContact CD1-CG1 3.61Å; I1948-V1965 HydrophobicContact CD1-CG2 4.26Å; I1948-Y1981 CarbonylContact O-C 3.5Å; I1948-Y1981 WeakPolarHBondContact O-CA 3.32Å; I1948-Y1981 WeakPolarHBondContact O-CD2 3.4Å; I1948-I1982 HydrophobicContact CB-CB 4.22Å; I1948-I1982 HydrophobicContact CD1-CB 4.43Å; I1948-I1982 HydrophobicContact CD1-CG2 4.45Å; I1948-I1982 PolarHBondContact N-O 2.96Å; I1948-I1982 PolarHBondContact O-N 3.03Å; I1948-L1996 HydrophobicContact CD1-CD1 4.02Å; I1948-L1996 HydrophobicContact CD1-CD2 4.04Å; I1948-L1996 HydrophobicContact CG1-CD2 4.28Å; I1948-L1996 HydrophobicContact CG2-CD2 4.19Å |
| 1949 | Y | 92 | Very high | 80.1 | Confident | 97.4 Ų | 97.4 | 50 Ų | 50 | 38% | 0.382 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 140.4 | 179.1 | -59.1 | -90.6 | 0 | 0 | 0 | 109.8 | I1929 N1930 N1947 D1980 Y1981 | I1929-Y1949 WeakPolarHBondContact CA-O 3.43Å; I1929-Y1949 PolarHBondContact N-O 3.04Å; N1930-Y1949 HydrophobicContact CB-CD2 4.29Å; N1930-Y1949 PolarHBondContact N-O 3.18Å; N1930-Y1949 VanDerWaalsContact N-O 3.14Å; N1930-Y1949 PolarHBondContact O-N 2.75Å; N1947-Y1949 HydrophobicContact CB-CE2 4.09Å; Y1949-D1980 CarbonylContact C-O 3.52Å; Y1949-D1980 WeakPolarHBondContact CA-O 3.3Å; Y1949-Y1981 AromaticContact CD1-CD2 3.65Å; Y1949-Y1981 HydrophobicContact CD1-CD2 3.65Å; Y1949-Y1981 HydrophobicContact CD1-CE2 4.29Å; Y1949-Y1981 AromaticContact CE1-CD2 3.41Å; Y1949-Y1981 HydrophobicContact CE1-CD2 3.41Å; Y1949-Y1981 VanDerWaalsContact CE1-CD2 3.45Å; Y1949-Y1981 AromaticContact CE1-CE2 3.65Å; Y1949-Y1981 HydrophobicContact CE1-CE2 3.65Å; Y1949-Y1981 HydrophobicContact CE1-CG 4.46Å; Y1949-Y1981 HydrophobicContact CE2-CD2 4.49Å; Y1949-Y1981 HydrophobicContact CE2-CE2 4.33Å; Y1949-Y1981 HydrophobicContact CG-CD2 4.31Å; Y1949-Y1981 AromaticContact CZ-CD2 3.9Å; Y1949-Y1981 AromaticContact CZ-CE2 3.67Å |
| 1950 | G | 91.1 | Very high | 79.1 | Confident | 4.6 Ų | 4.6 | 50.5 Ų | 50.5 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.4 | -153.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | K1927 D1980 | K1927-G1950 CarbonylContact O-C 3.52Å; K1927-G1950 WeakPolarHBondContact O-CA 3.24Å; G1950-D1980 PolarHBondContact N-O 2.99Å; G1950-D1980 WeakPolarHBondContact O-CA 3.27Å; G1950-D1980 WeakPolarHBondContact O-CB 3.22Å |
| 1951 | I | 88.6 | Confident | 78.5 | Confident | 83.6 Ų | 83.6 | 51.3 Ų | 51.3 | 43% | 0.429 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 145.1 | 173.2 | 55 | 170.8 | 0 | 0 | 0 | 110.2 | P1926 K1927 I1929 L1953 N1979 | P1926-I1951 WeakPolarHBondContact CA-O 3.44Å; K1927-I1951 HydrophobicContact CB-CD1 4.1Å; K1927-I1951 HydrophobicContact CB-CG1 3.79Å; K1927-I1951 PolarHBondContact N-O 3.16Å; K1927-I1951 VanDerWaalsContact N-O 3.11Å; K1927-I1951 PolarHBondContact O-N 3.01Å; I1929-I1951 HydrophobicContact CD1-CG2 4.29Å; I1951-L1953 VanDerWaalsContact C-N 3.27Å; I1951-L1953 PolarHBondContact O-N 3.34Å; I1951-N1979 CarbonylContact C-O 3.56Å; I1951-N1979 VanDerWaalsContact C-O 3.3Å; I1951-N1979 WeakPolarHBondContact CA-O 3.37Å |
| 1952 | M | 85.6 | Confident | 78.3 | Confident | 42.2 Ų | 42.2 | 57 Ų | 57 | 21% | 0.208 | 29% | 0.287 | C | S | . | . | S | Bend | trans | 57.1 | 30.9 | -178.4 | -55.5 | 179.6 | 82.1 | 0 | 0 | 114.4 | S1923 T1925 P1926 N1954 G1955 N1979 Y2003 | S1923-M1952 WeakPolarHBondContact O-CE 3.41Å; S1923-M1952 VanDerWaalsContact O-SD 3.37Å; T1925-M1952 WeakPolarHBondContact O-CE 3.45Å; P1926-M1952 HydrophobicContact CB-CB 4.03Å; P1926-M1952 WeakPolarHBondContact CB-O 3.4Å; P1926-M1952 HydrophobicContact CG-CB 4.22Å; P1926-M1952 WeakPolarHBondContact CG-O 3.36Å; M1952-N1954 VanDerWaalsContact C-N 3.27Å; M1952-N1954 PolarHBondContact O-N 2.77Å; M1952-G1955 PolarHBondContact O-N 3.26Å; M1952-G1955 VanDerWaalsContact O-N 3.1Å; M1952-N1979 WeakPolarHBondContact CA-O 3.38Å; M1952-N1979 VanDerWaalsContact CA-OD1 3.27Å; M1952-N1979 WeakPolarHBondContact CA-OD1 3.28Å; M1952-N1979 PolarHBondContact N-O 2.91Å; M1952-N1979 VanDerWaalsContact N-O 3.07Å; M1952-N1979 PolarHBondContact N-OD1 3.01Å; M1952-Y2003 HydrophobicContact CB-CD2 4.34Å; M1952-Y2003 HydrophobicContact CB-CE2 4.32Å; M1952-Y2003 HydrophobicContact CE-CD1 3.52Å; M1952-Y2003 HydrophobicContact CE-CD2 3.99Å; M1952-Y2003 HydrophobicContact CE-CE1 3.71Å; M1952-Y2003 HydrophobicContact CE-CE2 3.73Å; M1952-Y2003 VanDerWaalsContact CE-CE2 3.49Å; M1952-Y2003 HydrophobicContact CE-CG 3.78Å; M1952-Y2003 WeakPolarHBondContact O-CD2 3.14Å |
| 1953 | L | 87.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -21.3 | -176 | -60.7 | -173.9 | 0 | 0 | 0 | 113.7 | V1928 I1948 I1951 G1955 T1963 N1979 I1982 V1998 T2000 A2006 | V1928-L1953 HydrophobicContact CG2-CD2 4.1Å; I1948-L1953 HydrophobicContact CG2-CD1 4.31Å; I1951-L1953 VanDerWaalsContact C-N 3.27Å; I1951-L1953 PolarHBondContact O-N 3.34Å; L1953-G1955 VanDerWaalsContact C-N 3.32Å; L1953-T1963 WeakPolarHBondContact O-CG2 3.24Å; L1953-T1963 PolarHBondContact O-OG1 2.97Å; L1953-T1963 VanDerWaalsContact O-OG1 3.11Å; L1953-N1979 PolarHBondContact N-O 3.12Å; L1953-I1982 HydrophobicContact CB-CD1 3.83Å; L1953-I1982 HydrophobicContact CB-CG1 3.98Å; L1953-I1982 HydrophobicContact CD1-CD1 4.19Å; L1953-I1982 HydrophobicContact CD1-CG1 4.07Å; L1953-I1982 HydrophobicContact CG-CD1 4.44Å; L1953-I1982 HydrophobicContact CG-CG1 4.47Å; L1953-V1998 HydrophobicContact CD2-CG1 4.33Å; L1953-T2000 WeakPolarHBondContact O-CG2 3.45Å; L1953-A2006 HydrophobicContact CD2-CB 4.47Å |
| 1954 | N | 80.7 | Confident | 78.3 | Confident | 40.2 Ų | 40.2 | 58.2 Ų | 58.2 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -1.8 | -179 | 179.5 | 17.7 | 0 | 0 | 0 | 113.3 | M1952 N1957 T1963 I1977 Q1978 N1979 | M1952-N1954 VanDerWaalsContact C-N 3.27Å; M1952-N1954 PolarHBondContact O-N 2.77Å; N1954-N1957 PolarHBondContact ND2-ND2 2.77Å; N1954-N1957 PolarHBondContact O-OD1 3.25Å; N1954-N1957 VanDerWaalsContact O-OD1 3.09Å; N1954-N1957 PolarHBondContact OD1-ND2 3.03Å; N1954-N1957 VanDerWaalsContact OD1-ND2 3.16Å; N1954-N1957 PolarHBondContact OD1-OD1 3.02Å; N1954-T1963 PolarHBondContact O-OG1 2.99Å; N1954-I1977 HydrophobicContact CB-CD1 4.35Å; N1954-I1977 HydrophobicContact CB-CG1 4.08Å; N1954-I1977 PolarHBondContact ND2-O 3.16Å; N1954-I1977 WeakPolarHBondContact OD1-CD1 3.31Å; N1954-I1977 WeakPolarHBondContact OD1-CG1 3.29Å; N1954-Q1978 PolarHBondContact N-O 2.8Å; N1954-N1979 WeakPolarHBondContact CB-OD1 3.3Å; N1954-N1979 PolarHBondContact O-OD1 3.49Å; N1954-N1979 PolarHBondContact OD1-OD1 2.8Å |
| 1955 | G | 69 | Low | 78.3 | Confident | 10.6 Ų | 10.6 | 57.8 Ų | 57.8 | 11% | 0.109 | 29% | 0.289 | C | S | . | . | trans | 48.8 | -162.9 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1952 L1953 N1957 | M1952-G1955 PolarHBondContact O-N 3.26Å; M1952-G1955 VanDerWaalsContact O-N 3.1Å; L1953-G1955 VanDerWaalsContact C-N 3.32Å; G1955-N1957 PolarHBondContact O-N 3.04Å | ||
| 1956 | D | 65 | Low | 78.2 | Confident | 75 Ų | 75 | 59.6 Ų | 59.6 | 40% | 0.401 | 30% | 0.296 | S | S | . | . | trans | -101.2 | 121.9 | 169 | 174.4 | 15.2 | 0 | 0 | 0 | 109.4 | T1958 I2002 | D1956-T1958 VanDerWaalsContact C-N 3.27Å; D1956-T1958 VanDerWaalsContact CG-OG1 3.24Å; D1956-T1958 PolarHBondContact O-N 2.94Å; D1956-T1958 VanDerWaalsContact O-N 3.12Å; D1956-T1958 WeakPolarHBondContact OD1-CB 3.2Å; D1956-T1958 VanDerWaalsContact OD1-CG2 3.26Å; D1956-T1958 WeakPolarHBondContact OD1-CG2 3.38Å; D1956-T1958 PolarHBondContact OD1-N 3.12Å; D1956-T1958 PolarHBondContact OD1-OG1 3.1Å; D1956-T1958 WeakPolarHBondContact OD2-CB 3.32Å; D1956-T1958 WeakPolarHBondContact OD2-CG2 3.42Å; D1956-T1958 PolarHBondContact OD2-OG1 3.24Å; D1956-I2002 HydrophobicContact CB-CB 3.98Å; D1956-I2002 HydrophobicContact CB-CD1 3.25Å; D1956-I2002 VanDerWaalsContact CB-CD1 3.42Å; D1956-I2002 HydrophobicContact CB-CG1 3.58Å; D1956-I2002 VanDerWaalsContact CB-CG1 3.46Å; D1956-I2002 HydrophobicContact CB-CG2 4.46Å; D1956-I2002 WeakPolarHBondContact O-CD1 3.32Å; D1956-I2002 VanDerWaalsContact O-CG1 3.3Å; D1956-I2002 WeakPolarHBondContact O-CG1 3.3Å; D1956-I2002 WeakPolarHBondContact OD2-CD1 3.39Å | ||
| 1957 | N | 55.7 | Low | 78 | Confident | 97.8 Ų | 97.8 | 59.6 Ų | 59.6 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | trans | -85.1 | 27.7 | -170.2 | -76.6 | -14.7 | 0 | 0 | 0 | 113.2 | N1954 G1955 K1959 | N1954-N1957 PolarHBondContact ND2-ND2 2.77Å; N1954-N1957 PolarHBondContact O-OD1 3.25Å; N1954-N1957 VanDerWaalsContact O-OD1 3.09Å; N1954-N1957 PolarHBondContact OD1-ND2 3.03Å; N1954-N1957 VanDerWaalsContact OD1-ND2 3.16Å; N1954-N1957 PolarHBondContact OD1-OD1 3.02Å; G1955-N1957 PolarHBondContact O-N 3.04Å; N1957-K1959 VanDerWaalsContact C-N 3.29Å; N1957-K1959 PolarHBondContact O-N 3.08Å | ||
| 1958 | T | 54.6 | Low | 77.7 | Confident | 93.6 Ų | 93.6 | 62.4 Ų | 62.4 | 57% | 0.574 | 31% | 0.311 | S | S | * | . | trans | -74.8 | 43.4 | -180 | 49.7 | 0 | 0 | 0 | 0 | 113.4 | D1956 I1960 | D1956-T1958 VanDerWaalsContact C-N 3.27Å; D1956-T1958 VanDerWaalsContact CG-OG1 3.24Å; D1956-T1958 PolarHBondContact O-N 2.94Å; D1956-T1958 VanDerWaalsContact O-N 3.12Å; D1956-T1958 WeakPolarHBondContact OD1-CB 3.2Å; D1956-T1958 VanDerWaalsContact OD1-CG2 3.26Å; D1956-T1958 WeakPolarHBondContact OD1-CG2 3.38Å; D1956-T1958 PolarHBondContact OD1-N 3.12Å; D1956-T1958 PolarHBondContact OD1-OG1 3.1Å; D1956-T1958 WeakPolarHBondContact OD2-CB 3.32Å; D1956-T1958 WeakPolarHBondContact OD2-CG2 3.42Å; D1956-T1958 PolarHBondContact OD2-OG1 3.24Å; T1958-I1960 VanDerWaalsContact C-N 3.29Å; T1958-I1960 PolarHBondContact O-N 3Å; T1958-I1960 VanDerWaalsContact O-N 3.15Å | ||
| 1959 | K | 52.7 | Low | 77.2 | Confident | 186.6 Ų | 186.6 | 71.1 Ų | 71.1 | 81% | 0.811 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -72.3 | 20.8 | 179.4 | -69.3 | -172.4 | 177.2 | -177.6 | 0 | 116.7 | N1957 K1961 | N1957-K1959 VanDerWaalsContact C-N 3.29Å; N1957-K1959 PolarHBondContact O-N 3.08Å; K1959-K1961 VanDerWaalsContact C-N 3.27Å; K1959-K1961 PolarHBondContact O-N 3.32Å; K1959-K1961 VanDerWaalsContact O-N 3.11Å |
| 1960 | I | 55.6 | Low | 76.9 | Confident | 154.2 Ų | 154.2 | 68.7 Ų | 68.7 | 79% | 0.791 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -81.6 | -24.5 | -169.3 | -59 | 171.3 | 0 | 0 | 0 | 113.5 | T1958 | T1958-I1960 VanDerWaalsContact C-N 3.29Å; T1958-I1960 PolarHBondContact O-N 3Å; T1958-I1960 VanDerWaalsContact O-N 3.15Å |
| 1961 | K | 61.9 | Low | 76.8 | Confident | 59.8 Ų | 59.8 | 73.4 Ų | 73.4 | 26% | 0.26 | 37% | 0.368 | S | S | . | . | trans | -134.5 | 143.1 | 175.2 | -158.6 | 177.9 | 177.4 | -166.5 | 0 | 110.3 | I1852 K1959 E1964 D1999 P2001 | I1852-K1961 HydrophobicContact CD1-CB 4.26Å; I1852-K1961 HydrophobicContact CD1-CD 4.04Å; I1852-K1961 HydrophobicContact CD1-CG 4.47Å; K1959-K1961 VanDerWaalsContact C-N 3.27Å; K1959-K1961 PolarHBondContact O-N 3.32Å; K1959-K1961 VanDerWaalsContact O-N 3.11Å; K1961-E1964 WeakPolarHBondContact CE-OE1 3.14Å; K1961-E1964 IonicContact NZ-OE1 3.19Å; K1961-D1999 IonicContact NZ-OD1 3.5Å; K1961-D1999 PolarHBondContact NZ-OD1 2.92Å; K1961-D1999 VanDerWaalsContact NZ-OD1 3.07Å; K1961-D1999 IonicContact NZ-OD2 2.94Å; K1961-D1999 PolarHBondContact NZ-OD2 3.09Å; K1961-P2001 VanDerWaalsContact C-CG 3.48Å; K1961-P2001 HydrophobicContact CB-CB 4Å; K1961-P2001 HydrophobicContact CB-CG 3.86Å; K1961-P2001 HydrophobicContact CD-CG 4.48Å; K1961-P2001 HydrophobicContact CG-CB 4.39Å; K1961-P2001 HydrophobicContact CG-CG 3.98Å; K1961-P2001 WeakPolarHBondContact O-CB 3.33Å; K1961-P2001 WeakPolarHBondContact O-CG 3.29Å | ||
| 1962 | M | 74.8 | Confident | 76.9 | Confident | 153.2 Ų | 153.2 | 69.5 Ų | 69.5 | 76% | 0.755 | 35% | 0.349 | S | S | * | . | trans | -101.1 | 156.6 | 174.8 | -65.9 | -179.5 | 136.9 | 0 | 0 | 110.9 | E1964 P2001 | M1962-E1964 PolarHBondContact O-N 3.09Å; M1962-P2001 VanDerWaalsContact C-CG 3.4Å; M1962-P2001 WeakPolarHBondContact O-CG 3.5Å | ||
| 1963 | T | 84 | Confident | 77.1 | Confident | 10.4 Ų | 10.4 | 72.5 Ų | 72.5 | 6% | 0.064 | 37% | 0.365 | C | S | . | . | trans | -59.7 | 133.6 | 171.9 | -62.7 | 0 | 0 | 0 | 0 | 110.1 | L1953 N1954 I1974 I1977 I1982 V1998 D1999 T2000 P2001 | L1953-T1963 WeakPolarHBondContact O-CG2 3.24Å; L1953-T1963 PolarHBondContact O-OG1 2.97Å; L1953-T1963 VanDerWaalsContact O-OG1 3.11Å; N1954-T1963 PolarHBondContact O-OG1 2.99Å; T1963-I1974 HydrophobicContact CG2-CD1 4.28Å; T1963-I1974 WeakPolarHBondContact O-CD1 3.29Å; T1963-I1977 VanDerWaalsContact CB-CD1 3.45Å; T1963-I1977 HydrophobicContact CG2-CD1 3.88Å; T1963-I1977 VanDerWaalsContact OG1-CD1 3.26Å; T1963-I1977 WeakPolarHBondContact OG1-CD1 3.43Å; T1963-I1982 HydrophobicContact CG2-CD1 4.09Å; T1963-V1998 HydrophobicContact CG2-CG1 4.07Å; T1963-D1999 CarbonylContact C-O 3.5Å; T1963-D1999 VanDerWaalsContact CA-O 3.27Å; T1963-D1999 WeakPolarHBondContact CA-O 3.3Å; T1963-D1999 WeakPolarHBondContact CG2-O 3.35Å; T1963-T2000 HydrophobicContact CG2-CG2 4.22Å; T1963-P2001 VanDerWaalsContact N-CG 3.29Å; T1963-P2001 WeakPolarHBondContact OG1-CD 3.27Å | ||
| 1964 | E | 87.6 | Confident | 77.2 | Confident | 70 Ų | 70 | 75.1 Ų | 75.1 | 33% | 0.327 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 136.9 | 175.7 | -70.9 | 178.2 | -160.1 | 0 | 0 | 110.4 | K1961 M1962 K1966 V1998 D1999 | K1961-E1964 WeakPolarHBondContact CE-OE1 3.14Å; K1961-E1964 IonicContact NZ-OE1 3.19Å; M1962-E1964 PolarHBondContact O-N 3.09Å; E1964-K1966 WeakPolarHBondContact OE2-CE 3.3Å; E1964-K1966 IonicContact OE2-NZ 3.05Å; E1964-K1966 PolarHBondContact OE2-NZ 2.99Å; E1964-V1998 WeakPolarHBondContact O-CA 3.36Å; E1964-D1999 HydrophobicContact CB-CB 4.41Å; E1964-D1999 PolarHBondContact N-O 3.06Å; E1964-D1999 PolarHBondContact O-N 2.95Å |
| 1965 | V | 90.4 | Very high | 77.6 | Confident | 0.8 Ų | 0.8 | 77.3 Ų | 77.3 | 1% | 0.005 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 127.6 | 172.5 | 178.7 | 0 | 0 | 0 | 0 | 109.2 | I1948 C1972 I1974 I1982 L1996 I1997 V1998 | I1948-V1965 HydrophobicContact CD1-CG1 3.61Å; I1948-V1965 HydrophobicContact CD1-CG2 4.26Å; V1965-C1972 HydrophobicContact CB-CB 4.04Å; V1965-C1972 HydrophobicContact CG1-CB 3.81Å; V1965-C1972 PolarHBondContact O-N 3.17Å; V1965-I1974 HydrophobicContact CB-CD1 4.48Å; V1965-I1974 HydrophobicContact CB-CG1 4.43Å; V1965-I1974 HydrophobicContact CG2-CD1 3.93Å; V1965-I1974 HydrophobicContact CG2-CG1 4.21Å; V1965-I1982 HydrophobicContact CG2-CD1 3.89Å; V1965-I1982 HydrophobicContact CG2-CG2 4.04Å; V1965-L1996 HydrophobicContact CG1-CD1 3.59Å; V1965-L1996 VanDerWaalsContact CG1-CD1 3.47Å; V1965-I1997 CarbonylContact C-O 3.52Å; V1965-I1997 WeakPolarHBondContact CA-O 3.38Å; V1965-V1998 HydrophobicContact CG1-CG2 4.42Å; V1965-V1998 HydrophobicContact CG2-CG1 4.34Å; V1965-V1998 HydrophobicContact CG2-CG2 4.26Å |
| 1966 | K | 90 | Very high | 78.5 | Confident | 62.4 Ų | 62.4 | 79.9 Ų | 79.9 | 27% | 0.271 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.4 | 179.7 | -61.7 | 178.8 | -174.9 | 167.2 | 0 | 111.2 | E1964 I1970 I1971 L1996 I1997 | E1964-K1966 WeakPolarHBondContact OE2-CE 3.3Å; E1964-K1966 IonicContact OE2-NZ 3.05Å; E1964-K1966 PolarHBondContact OE2-NZ 2.99Å; K1966-I1970 CarbonylContact C-O 3.53Å; K1966-I1970 VanDerWaalsContact CA-O 3.28Å; K1966-I1970 WeakPolarHBondContact CA-O 3.33Å; K1966-I1971 HydrophobicContact CD-CG1 4.41Å; K1966-I1971 HydrophobicContact CG-CG1 4.4Å; K1966-L1996 CarbonylContact O-C 3.56Å; K1966-L1996 WeakPolarHBondContact O-CA 3.37Å; K1966-I1997 HydrophobicContact CB-CB 4.41Å; K1966-I1997 PolarHBondContact N-O 3.08Å; K1966-I1997 PolarHBondContact O-N 2.99Å |
| 1967 | L | 87.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 101.3 | 166.8 | -85 | 92.7 | 0 | 0 | 0 | 107.7 | L1946 Q1969 I1970 C1972 I1986 L1989 Y1994 Q1995 L1996 I2012 | L1946-L1967 HydrophobicContact CD1-CD1 3.53Å; L1946-L1967 VanDerWaalsContact CD1-CD1 3.47Å; L1946-L1967 HydrophobicContact CD1-CD2 3.97Å; L1946-L1967 HydrophobicContact CD1-CG 4.35Å; L1946-L1967 HydrophobicContact CD2-CD1 4.1Å; L1967-Q1969 PolarHBondContact O-N 2.95Å; L1967-I1970 HydrophobicContact CB-CB 4.44Å; L1967-I1970 PolarHBondContact N-O 2.99Å; L1967-I1970 WeakPolarHBondContact O-CB 3.43Å; L1967-I1970 PolarHBondContact O-N 3.04Å; L1967-C1972 HydrophobicContact CD1-CB 4.35Å; L1967-I1986 HydrophobicContact CD1-CD1 3.74Å; L1967-I1986 VanDerWaalsContact CD1-CD1 3.43Å; L1967-I1986 HydrophobicContact CD2-CD1 4.08Å; L1967-I1986 HydrophobicContact CG-CD1 4.43Å; L1967-L1989 HydrophobicContact CD2-CD1 4.1Å; L1967-L1989 HydrophobicContact CD2-CD2 4.35Å; L1967-Y1994 HydrophobicContact CB-CD1 4.15Å; L1967-Y1994 HydrophobicContact CB-CG 4.29Å; L1967-Y1994 HydrophobicContact CD2-CG 4.25Å; L1967-Q1995 CarbonylContact C-O 3.58Å; L1967-Q1995 VanDerWaalsContact CA-O 3.26Å; L1967-Q1995 WeakPolarHBondContact CA-O 3.32Å; L1967-L1996 HydrophobicContact CD1-CD1 3.75Å; L1967-L1996 HydrophobicContact CD2-CB 4.25Å; L1967-L1996 HydrophobicContact CD2-CD1 4.19Å; L1967-L1996 HydrophobicContact CG-CD1 4.34Å; L1967-I2012 HydrophobicContact CD1-CD1 4.25Å; L1967-I2012 HydrophobicContact CD2-CB 4.48Å; L1967-I2012 HydrophobicContact CD2-CD1 3.69Å; L1967-I2012 HydrophobicContact CD2-CG1 4.37Å; L1967-I2012 HydrophobicContact CD2-CG2 4.41Å; L1967-I2012 HydrophobicContact CG-CD1 4.2Å |
| 1968 | N | 84.8 | Confident | 81.1 | Confident | 68.8 Ų | 68.8 | 78.9 Ų | 78.9 | 37% | 0.368 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | -103 | -161.6 | -58.9 | -19.9 | 0 | 0 | 0 | 110.2 | I1993 Y1994 Q1995 | N1968-I1993 PolarHBondContact ND2-O 3.05Å; N1968-I1993 VanDerWaalsContact ND2-O 3.1Å; N1968-Y1994 HydrophobicContact CB-CD1 4.42Å; N1968-Q1995 PolarHBondContact N-O 3.07Å; N1968-Q1995 VanDerWaalsContact OD1-CB 3.28Å; N1968-Q1995 WeakPolarHBondContact OD1-CB 3.41Å; N1968-Q1995 PolarHBondContact OD1-N 3.03Å |
| 1969 | Q | 81.6 | Confident | 82.6 | Confident | 182 Ų | 182 | 78.5 Ų | 78.5 | 85% | 0.85 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | -8.6 | 177.2 | -63.7 | -178.3 | -3.4 | 0 | 0 | 113.2 | L1967 I1971 | L1967-Q1969 PolarHBondContact O-N 2.95Å; Q1969-I1971 PolarHBondContact O-N 2.98Å |
| 1970 | I | 85.8 | Confident | 84.4 | Confident | 46.4 Ų | 46.4 | 74 Ų | 74 | 24% | 0.238 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 118.3 | -177.6 | -57.7 | 178.4 | 0 | 0 | 0 | 109.1 | K1966 L1967 C1972 I1986 L1989 Y1994 | K1966-I1970 CarbonylContact C-O 3.53Å; K1966-I1970 VanDerWaalsContact CA-O 3.28Å; K1966-I1970 WeakPolarHBondContact CA-O 3.33Å; L1967-I1970 HydrophobicContact CB-CB 4.44Å; L1967-I1970 PolarHBondContact N-O 2.99Å; L1967-I1970 WeakPolarHBondContact O-CB 3.43Å; L1967-I1970 PolarHBondContact O-N 3.04Å; I1970-C1972 PolarHBondContact O-N 3.02Å; I1970-I1986 HydrophobicContact CG2-CD1 4.47Å; I1970-I1986 HydrophobicContact CG2-CG2 3.72Å; I1970-L1989 HydrophobicContact CD1-CD1 3.95Å; I1970-Y1994 HydrophobicContact CD1-CD1 4.24Å; I1970-Y1994 HydrophobicContact CD1-CE1 3.48Å; I1970-Y1994 VanDerWaalsContact CD1-CE1 3.46Å; I1970-Y1994 HydrophobicContact CG1-CE1 4.42Å |
| 1971 | I | 88.7 | Confident | 86.1 | Confident | 103.8 Ų | 103.8 | 68.4 Ų | 68.4 | 53% | 0.532 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 131.8 | 178.1 | -59.7 | 173.7 | 0 | 0 | 0 | 109.5 | K1966 Q1969 | K1966-I1971 HydrophobicContact CD-CG1 4.41Å; K1966-I1971 HydrophobicContact CG-CG1 4.4Å; Q1969-I1971 PolarHBondContact O-N 2.98Å |
| 1972 | C | 91.1 | Very high | 87.6 | Confident | 2.6 Ų | 2.6 | 65.6 Ų | 65.6 | 2% | 0.018 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 113.3 | 172.7 | -160.8 | 0 | 0 | 0 | 0 | 109.3 | V1965 L1967 I1970 I1974 C1984 I1986 | V1965-C1972 HydrophobicContact CB-CB 4.04Å; V1965-C1972 HydrophobicContact CG1-CB 3.81Å; V1965-C1972 PolarHBondContact O-N 3.17Å; L1967-C1972 HydrophobicContact CD1-CB 4.35Å; I1970-C1972 PolarHBondContact O-N 3.02Å; C1972-I1974 PolarHBondContact O-N 3.17Å; C1972-I1974 VanDerWaalsContact O-N 3.11Å; C1972-C1984 HydrophobicContact CB-CB 3.8Å; C1972-C1984 WeakPolarHBondContact CB-SG 3.34Å; C1972-C1984 WeakPolarHBondContact SG-CB 3.21Å; C1972-C1984 CovalentContact SG-SG 2.02Å; C1972-C1984 PolarHBondContact SG-SG 3.01Å; C1972-I1986 HydrophobicContact CB-CD1 4.24Å; C1972-I1986 HydrophobicContact CB-CG1 4.02Å; C1972-I1986 VanDerWaalsContact SG-CG1 3.55Å; C1972-I1986 WeakPolarHBondContact SG-CG1 3.17Å |
| 1973 | N | 90 | Very high | 88.5 | Confident | 104.8 Ų | 104.8 | 59.7 Ų | 59.7 | 56% | 0.56 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73 | 109.3 | -175.5 | -70.2 | -26.9 | 0 | 0 | 0 | 110.4 | I1975 C1984 N1985 | N1973-I1975 PolarHBondContact O-N 2.81Å; N1973-C1984 CarbonylContact O-C 3.48Å; N1973-C1984 WeakPolarHBondContact O-CA 3.41Å; N1973-C1984 WeakPolarHBondContact O-CB 3.13Å; N1973-N1985 PolarHBondContact N-O 2.98Å; N1973-N1985 PolarHBondContact O-N 3.1Å |
| 1974 | I | 89 | Confident | 88.9 | Confident | 53.4 Ų | 53.4 | 59.2 Ų | 59.2 | 27% | 0.274 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 129 | -174.9 | -59.4 | 177.1 | 0 | 0 | 0 | 110.9 | T1963 V1965 C1972 I1977 I1982 Q1983 C1984 | T1963-I1974 HydrophobicContact CG2-CD1 4.28Å; T1963-I1974 WeakPolarHBondContact O-CD1 3.29Å; V1965-I1974 HydrophobicContact CB-CD1 4.48Å; V1965-I1974 HydrophobicContact CB-CG1 4.43Å; V1965-I1974 HydrophobicContact CG2-CD1 3.93Å; V1965-I1974 HydrophobicContact CG2-CG1 4.21Å; C1972-I1974 PolarHBondContact O-N 3.17Å; C1972-I1974 VanDerWaalsContact O-N 3.11Å; I1974-I1977 HydrophobicContact CD1-CD1 4.33Å; I1974-I1977 HydrophobicContact CG2-CB 3.97Å; I1974-I1977 HydrophobicContact CG2-CD1 4.45Å; I1974-I1982 HydrophobicContact CB-CG2 4.45Å; I1974-I1982 HydrophobicContact CD1-CG2 4.3Å; I1974-I1982 HydrophobicContact CG1-CG2 4.11Å; I1974-I1982 HydrophobicContact CG2-CG2 4.06Å; I1974-Q1983 CarbonylContact C-O 3.37Å; I1974-Q1983 WeakPolarHBondContact CA-O 3.34Å; I1974-C1984 HydrophobicContact CB-CB 4.47Å; I1974-C1984 HydrophobicContact CG1-CB 4.15Å |
| 1975 | I | 89 | Confident | 89.1 | Confident | 86.4 Ų | 86.4 | 56.4 Ų | 56.4 | 44% | 0.443 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | -45.5 | 176.8 | -52.6 | -59.3 | 0 | 0 | 0 | 110.8 | Y1938 N1973 Q1983 N1985 | Y1938-I1975 HydrophobicContact CE2-CD1 4.01Å; N1973-I1975 PolarHBondContact O-N 2.81Å; I1975-Q1983 HydrophobicContact CB-CG 4.44Å; I1975-Q1983 PolarHBondContact N-O 3.05Å; I1975-N1985 HydrophobicContact CD1-CB 4.1Å; I1975-N1985 WeakPolarHBondContact CD1-ND2 3.46Å; I1975-N1985 HydrophobicContact CG1-CB 4.03Å; I1975-N1985 VanDerWaalsContact CG1-ND2 3.26Å; I1975-N1985 WeakPolarHBondContact CG1-ND2 3.49Å |
| 1976 | I | 88.3 | Confident | 89.1 | Confident | 65.2 Ų | 65.2 | 56.5 Ų | 56.5 | 33% | 0.334 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 132 | 178.4 | -56.3 | -177.7 | 0 | 0 | 0 | 107.6 | Q1978 Y1981 I1982 Q1983 | I1976-Q1978 HydrophobicContact CG2-CG 4.21Å; I1976-Y1981 HydrophobicContact CB-CD1 4.48Å; I1976-Y1981 HydrophobicContact CB-CE1 4.27Å; I1976-Y1981 HydrophobicContact CD1-CE1 4.4Å; I1976-Y1981 HydrophobicContact CG2-CD1 4.11Å; I1976-Y1981 HydrophobicContact CG2-CE1 4.13Å; I1976-I1982 CarbonylContact O-C 3.5Å; I1976-I1982 VanDerWaalsContact O-CA 3.31Å; I1976-I1982 WeakPolarHBondContact O-CA 3.41Å; I1976-Q1983 HydrophobicContact CB-CB 3.92Å; I1976-Q1983 HydrophobicContact CD1-CB 4.45Å; I1976-Q1983 VanDerWaalsContact CD1-OE1 3.24Å; I1976-Q1983 HydrophobicContact CG1-CB 4.31Å; I1976-Q1983 PolarHBondContact N-O 2.99Å; I1976-Q1983 VanDerWaalsContact N-O 3.16Å; I1976-Q1983 PolarHBondContact O-N 3.17Å |
| 1977 | I | 87.5 | Confident | 89 | Confident | 55.2 Ų | 55.2 | 57.9 Ų | 57.9 | 28% | 0.283 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 125.1 | 172.5 | -170.9 | 161.8 | 0 | 0 | 0 | 110.4 | N1954 T1963 I1974 I1982 | N1954-I1977 HydrophobicContact CB-CD1 4.35Å; N1954-I1977 HydrophobicContact CB-CG1 4.08Å; N1954-I1977 PolarHBondContact ND2-O 3.16Å; N1954-I1977 WeakPolarHBondContact OD1-CD1 3.31Å; N1954-I1977 WeakPolarHBondContact OD1-CG1 3.29Å; T1963-I1977 VanDerWaalsContact CB-CD1 3.45Å; T1963-I1977 HydrophobicContact CG2-CD1 3.88Å; T1963-I1977 VanDerWaalsContact OG1-CD1 3.26Å; T1963-I1977 WeakPolarHBondContact OG1-CD1 3.43Å; I1974-I1977 HydrophobicContact CD1-CD1 4.33Å; I1974-I1977 HydrophobicContact CG2-CB 3.97Å; I1974-I1977 HydrophobicContact CG2-CD1 4.45Å; I1977-I1982 HydrophobicContact CD1-CD1 4.37Å; I1977-I1982 HydrophobicContact CD1-CG1 4.41Å; I1977-I1982 HydrophobicContact CG1-CG1 4.15Å |
| 1978 | Q | 87.9 | Confident | 89.1 | Confident | 98 Ų | 98 | 59.7 Ų | 59.7 | 46% | 0.458 | 30% | 0.302 | S | S | . | . | trans | -135.7 | 168.2 | 176.1 | -64.1 | 179 | -8.6 | 0 | 0 | 108.3 | N1954 I1976 D1980 Y1981 | N1954-Q1978 PolarHBondContact N-O 2.8Å; I1976-Q1978 HydrophobicContact CG2-CG 4.21Å; Q1978-D1980 PolarHBondContact O-N 3.04Å; Q1978-Y1981 WeakPolarHBondContact CA-O 3.37Å; Q1978-Y1981 PolarHBondContact N-O 3.27Å; Q1978-Y1981 PolarHBondContact O-N 3.32Å; Q1978-Y1981 VanDerWaalsContact O-O 3.11Å | ||
| 1979 | N | 85.7 | Confident | 89.3 | Confident | 85.2 Ų | 85.2 | 56.5 Ų | 56.5 | 46% | 0.456 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -64.2 | -27.1 | -176.9 | -145.6 | 24.5 | 0 | 0 | 0 | 112.9 | I1951 M1952 L1953 N1954 | I1951-N1979 CarbonylContact C-O 3.56Å; I1951-N1979 VanDerWaalsContact C-O 3.3Å; I1951-N1979 WeakPolarHBondContact CA-O 3.37Å; M1952-N1979 WeakPolarHBondContact CA-O 3.38Å; M1952-N1979 VanDerWaalsContact CA-OD1 3.27Å; M1952-N1979 WeakPolarHBondContact CA-OD1 3.28Å; M1952-N1979 PolarHBondContact N-O 2.91Å; M1952-N1979 VanDerWaalsContact N-O 3.07Å; M1952-N1979 PolarHBondContact N-OD1 3.01Å; L1953-N1979 PolarHBondContact N-O 3.12Å; N1954-N1979 WeakPolarHBondContact CB-OD1 3.3Å; N1954-N1979 PolarHBondContact O-OD1 3.49Å; N1954-N1979 PolarHBondContact OD1-OD1 2.8Å |
| 1980 | D | 90.8 | Very high | 89.6 | Confident | 92.4 Ų | 92.4 | 48.8 Ų | 48.8 | 49% | 0.494 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -116.4 | -0.8 | -176.3 | 60.4 | -26.8 | 0 | 0 | 0 | 114.1 | Y1949 G1950 Q1978 | Y1949-D1980 CarbonylContact C-O 3.52Å; Y1949-D1980 WeakPolarHBondContact CA-O 3.3Å; G1950-D1980 PolarHBondContact N-O 2.99Å; G1950-D1980 WeakPolarHBondContact O-CA 3.27Å; G1950-D1980 WeakPolarHBondContact O-CB 3.22Å; Q1978-D1980 PolarHBondContact O-N 3.04Å |
| 1981 | Y | 92.6 | Very high | 89.7 | Confident | 35.8 Ų | 35.8 | 49 Ų | 49 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 132.5 | -172.7 | 177.3 | -109.1 | 0 | 0 | 0 | 112.9 | N1947 I1948 Y1949 I1976 Q1978 Q1983 | N1947-Y1981 HydrophobicContact CB-CE2 4.01Å; N1947-Y1981 PolarHBondContact OD1-OH 3.02Å; I1948-Y1981 CarbonylContact O-C 3.5Å; I1948-Y1981 WeakPolarHBondContact O-CA 3.32Å; I1948-Y1981 WeakPolarHBondContact O-CD2 3.4Å; Y1949-Y1981 AromaticContact CD1-CD2 3.65Å; Y1949-Y1981 HydrophobicContact CD1-CD2 3.65Å; Y1949-Y1981 HydrophobicContact CD1-CE2 4.29Å; Y1949-Y1981 AromaticContact CE1-CD2 3.41Å; Y1949-Y1981 HydrophobicContact CE1-CD2 3.41Å; Y1949-Y1981 VanDerWaalsContact CE1-CD2 3.45Å; Y1949-Y1981 AromaticContact CE1-CE2 3.65Å; Y1949-Y1981 HydrophobicContact CE1-CE2 3.65Å; Y1949-Y1981 HydrophobicContact CE1-CG 4.46Å; Y1949-Y1981 HydrophobicContact CE2-CD2 4.49Å; Y1949-Y1981 HydrophobicContact CE2-CE2 4.33Å; Y1949-Y1981 HydrophobicContact CG-CD2 4.31Å; Y1949-Y1981 AromaticContact CZ-CD2 3.9Å; Y1949-Y1981 AromaticContact CZ-CE2 3.67Å; I1976-Y1981 HydrophobicContact CB-CD1 4.48Å; I1976-Y1981 HydrophobicContact CB-CE1 4.27Å; I1976-Y1981 HydrophobicContact CD1-CE1 4.4Å; I1976-Y1981 HydrophobicContact CG2-CD1 4.11Å; I1976-Y1981 HydrophobicContact CG2-CE1 4.13Å; Q1978-Y1981 WeakPolarHBondContact CA-O 3.37Å; Q1978-Y1981 PolarHBondContact N-O 3.27Å; Q1978-Y1981 PolarHBondContact O-N 3.32Å; Q1978-Y1981 VanDerWaalsContact O-O 3.11Å; Y1981-Q1983 HydrophobicContact CE1-CB 3.92Å; Y1981-Q1983 PolarHBondContact OH-NE2 3Å; Y1981-Q1983 VanDerWaalsContact OH-NE2 3.15Å |
| 1982 | I | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 128.7 | 167.7 | -61.6 | 171.6 | 0 | 0 | 0 | 109.2 | N1947 I1948 L1953 T1963 V1965 I1974 I1976 I1977 C1984 V1998 | N1947-I1982 CarbonylContact C-O 3.55Å; I1948-I1982 HydrophobicContact CB-CB 4.22Å; I1948-I1982 HydrophobicContact CD1-CB 4.43Å; I1948-I1982 HydrophobicContact CD1-CG2 4.45Å; I1948-I1982 PolarHBondContact N-O 2.96Å; I1948-I1982 PolarHBondContact O-N 3.03Å; L1953-I1982 HydrophobicContact CB-CD1 3.83Å; L1953-I1982 HydrophobicContact CB-CG1 3.98Å; L1953-I1982 HydrophobicContact CD1-CD1 4.19Å; L1953-I1982 HydrophobicContact CD1-CG1 4.07Å; L1953-I1982 HydrophobicContact CG-CD1 4.44Å; L1953-I1982 HydrophobicContact CG-CG1 4.47Å; T1963-I1982 HydrophobicContact CG2-CD1 4.09Å; V1965-I1982 HydrophobicContact CG2-CD1 3.89Å; V1965-I1982 HydrophobicContact CG2-CG2 4.04Å; I1974-I1982 HydrophobicContact CB-CG2 4.45Å; I1974-I1982 HydrophobicContact CD1-CG2 4.3Å; I1974-I1982 HydrophobicContact CG1-CG2 4.11Å; I1974-I1982 HydrophobicContact CG2-CG2 4.06Å; I1976-I1982 CarbonylContact O-C 3.5Å; I1976-I1982 VanDerWaalsContact O-CA 3.31Å; I1976-I1982 WeakPolarHBondContact O-CA 3.41Å; I1977-I1982 HydrophobicContact CD1-CD1 4.37Å; I1977-I1982 HydrophobicContact CD1-CG1 4.41Å; I1977-I1982 HydrophobicContact CG1-CG1 4.15Å; I1982-C1984 HydrophobicContact CG2-CB 4.31Å; I1982-V1998 HydrophobicContact CD1-CG1 3.89Å |
| 1983 | Q | 93.2 | Very high | 89.3 | Confident | 29.4 Ų | 29.4 | 49.9 Ų | 49.9 | 14% | 0.137 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 129.5 | 165.3 | -174.5 | 175.9 | 45.4 | 0 | 0 | 108.8 | Q1945 L1946 N1947 I1974 I1975 I1976 Y1981 | Q1945-Q1983 VanDerWaalsContact CD-NE2 3.27Å; Q1945-Q1983 HydrophobicContact CG-CG 4.06Å; Q1945-Q1983 VanDerWaalsContact NE2-CD 3.26Å; Q1945-Q1983 VanDerWaalsContact NE2-NE2 3.16Å; L1946-Q1983 CarbonylContact O-C 3.39Å; L1946-Q1983 VanDerWaalsContact O-CA 3.31Å; L1946-Q1983 WeakPolarHBondContact O-CA 3.37Å; N1947-Q1983 WeakPolarHBondContact OD1-CG 3.46Å; N1947-Q1983 PolarHBondContact OD1-NE2 2.98Å; I1974-Q1983 CarbonylContact C-O 3.37Å; I1974-Q1983 WeakPolarHBondContact CA-O 3.34Å; I1975-Q1983 HydrophobicContact CB-CG 4.44Å; I1975-Q1983 PolarHBondContact N-O 3.05Å; I1976-Q1983 HydrophobicContact CB-CB 3.92Å; I1976-Q1983 HydrophobicContact CD1-CB 4.45Å; I1976-Q1983 VanDerWaalsContact CD1-OE1 3.24Å; I1976-Q1983 HydrophobicContact CG1-CB 4.31Å; I1976-Q1983 PolarHBondContact N-O 2.99Å; I1976-Q1983 VanDerWaalsContact N-O 3.16Å; I1976-Q1983 PolarHBondContact O-N 3.17Å; Y1981-Q1983 HydrophobicContact CE1-CB 3.92Å; Y1981-Q1983 PolarHBondContact OH-NE2 3Å; Y1981-Q1983 VanDerWaalsContact OH-NE2 3.15Å |
| 1984 | C | 93 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 156.8 | 178 | 69.2 | 0 | 0 | 0 | 0 | 112.2 | Q1945 L1946 C1972 N1973 I1974 I1982 | Q1945-C1984 CarbonylContact C-O 3.47Å; Q1945-C1984 WeakPolarHBondContact CA-O 3.43Å; L1946-C1984 PolarHBondContact N-O 3.11Å; L1946-C1984 PolarHBondContact O-N 3.05Å; C1972-C1984 HydrophobicContact CB-CB 3.8Å; C1972-C1984 WeakPolarHBondContact CB-SG 3.34Å; C1972-C1984 WeakPolarHBondContact SG-CB 3.21Å; C1972-C1984 CovalentContact SG-SG 2.02Å; C1972-C1984 PolarHBondContact SG-SG 3.01Å; N1973-C1984 CarbonylContact O-C 3.48Å; N1973-C1984 WeakPolarHBondContact O-CA 3.41Å; N1973-C1984 WeakPolarHBondContact O-CB 3.13Å; I1974-C1984 HydrophobicContact CB-CB 4.47Å; I1974-C1984 HydrophobicContact CG1-CB 4.15Å; I1982-C1984 HydrophobicContact CG2-CB 4.31Å |
| 1985 | N | 92.5 | Very high | 89.1 | Confident | 11.2 Ų | 11.2 | 48.5 Ų | 48.5 | 6% | 0.06 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 144.3 | -172.8 | -71 | -10 | 0 | 0 | 0 | 111.6 | Y1938 I1943 T1944 Q1945 N1973 I1975 | Y1938-N1985 WeakPolarHBondContact CD2-ND2 3.48Å; I1943-N1985 HydrophobicContact CD1-CB 3.78Å; I1943-N1985 WeakPolarHBondContact CD1-ND2 3.01Å; T1944-N1985 CarbonylContact O-C 3.46Å; T1944-N1985 WeakPolarHBondContact O-CA 3.4Å; Q1945-N1985 WeakPolarHBondContact CB-OD1 3.18Å; Q1945-N1985 WeakPolarHBondContact CG-OD1 3.28Å; Q1945-N1985 PolarHBondContact NE2-OD1 2.82Å; N1973-N1985 PolarHBondContact N-O 2.98Å; N1973-N1985 PolarHBondContact O-N 3.1Å; I1975-N1985 HydrophobicContact CD1-CB 4.1Å; I1975-N1985 WeakPolarHBondContact CD1-ND2 3.46Å; I1975-N1985 HydrophobicContact CG1-CB 4.03Å; I1975-N1985 VanDerWaalsContact CG1-ND2 3.26Å; I1975-N1985 WeakPolarHBondContact CG1-ND2 3.49Å |
| 1986 | I | 90.7 | Very high | 89.1 | Confident | 3.2 Ų | 3.2 | 44.8 Ų | 44.8 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 124.1 | 178.9 | -55.2 | 174.9 | 0 | 0 | 0 | 109.4 | T1944 L1946 L1967 I1970 C1972 N1988 L1989 | T1944-I1986 PolarHBondContact N-O 3.09Å; T1944-I1986 VanDerWaalsContact N-O 3.08Å; T1944-I1986 PolarHBondContact O-N 3.08Å; L1946-I1986 HydrophobicContact CD1-CD1 3.56Å; L1946-I1986 HydrophobicContact CD1-CG1 4.39Å; L1946-I1986 HydrophobicContact CG-CD1 4.27Å; L1967-I1986 HydrophobicContact CD1-CD1 3.74Å; L1967-I1986 VanDerWaalsContact CD1-CD1 3.43Å; L1967-I1986 HydrophobicContact CD2-CD1 4.08Å; L1967-I1986 HydrophobicContact CG-CD1 4.43Å; I1970-I1986 HydrophobicContact CG2-CD1 4.47Å; I1970-I1986 HydrophobicContact CG2-CG2 3.72Å; C1972-I1986 HydrophobicContact CB-CD1 4.24Å; C1972-I1986 HydrophobicContact CB-CG1 4.02Å; C1972-I1986 VanDerWaalsContact SG-CG1 3.55Å; C1972-I1986 WeakPolarHBondContact SG-CG1 3.17Å; I1986-N1988 WeakPolarHBondContact CG2-O 3.38Å; I1986-L1989 HydrophobicContact CD1-CD1 4.36Å; I1986-L1989 HydrophobicContact CD1-CD2 4.44Å; I1986-L1989 HydrophobicContact CG2-CB 3.98Å; I1986-L1989 HydrophobicContact CG2-CD1 4.48Å |
| 1987 | L | 87.6 | Confident | 89.1 | Confident | 92.6 Ų | 92.6 | 44.9 Ų | 44.9 | 49% | 0.485 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -78.6 | -48.9 | 179.1 | -180 | 64.4 | 0 | 0 | 0 | 112.2 | T1941 I1943 G2060 S2061 S2062 | T1941-L1987 HydrophobicContact CG2-CD1 4.01Å; I1943-L1987 HydrophobicContact CG2-CD1 3.54Å; I1943-L1987 VanDerWaalsContact CG2-CD1 3.49Å; L1987-G2060 WeakPolarHBondContact CD1-O 3.22Å; L1987-G2060 WeakPolarHBondContact CG-O 3.28Å; L1987-S2061 VanDerWaalsContact O-CA 3.3Å; L1987-S2061 WeakPolarHBondContact O-CA 3.31Å; L1987-S2061 VanDerWaalsContact O-CB 3.27Å; L1987-S2061 WeakPolarHBondContact O-CB 3.31Å; L1987-S2062 PolarHBondContact O-N 2.97Å; L1987-S2062 VanDerWaalsContact O-N 3.16Å |
| 1988 | N | 88.5 | Confident | 89.2 | Confident | 36.6 Ų | 36.6 | 42.4 Ų | 42.4 | 20% | 0.196 | 22% | 0.219 | C | C | . | . | trans | -116.9 | 104.9 | -178.1 | -163.3 | 22.9 | 0 | 0 | 0 | 109.6 | I1986 M2041 D2042 V2043 | I1986-N1988 WeakPolarHBondContact CG2-O 3.38Å; N1988-M2041 PolarHBondContact OD1-O 2.81Å; N1988-D2042 PolarHBondContact ND2-OD1 3.03Å; N1988-D2042 WeakPolarHBondContact OD1-CA 3.22Å; N1988-V2043 HydrophobicContact CB-CG1 4.39Å; N1988-V2043 PolarHBondContact OD1-N 3.43Å | ||
| 1989 | L | 89.4 | Confident | 89.2 | Confident | 1.4 Ų | 1.4 | 38.1 Ų | 38.1 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | trans | -125.8 | 84.8 | 173.3 | -168.9 | 66.4 | 0 | 0 | 0 | 109.2 | M1933 T1944 L1967 I1970 I1986 Y1994 V2014 S2062 | M1933-L1989 HydrophobicContact CE-CD2 3.62Å; M1933-L1989 VanDerWaalsContact CE-CD2 3.42Å; M1933-L1989 HydrophobicContact SD-CD2 4.22Å; T1944-L1989 HydrophobicContact CG2-CD2 4.1Å; L1967-L1989 HydrophobicContact CD2-CD1 4.1Å; L1967-L1989 HydrophobicContact CD2-CD2 4.35Å; I1970-L1989 HydrophobicContact CD1-CD1 3.95Å; I1986-L1989 HydrophobicContact CD1-CD1 4.36Å; I1986-L1989 HydrophobicContact CD1-CD2 4.44Å; I1986-L1989 HydrophobicContact CG2-CB 3.98Å; I1986-L1989 HydrophobicContact CG2-CD1 4.48Å; L1989-Y1994 HydrophobicContact CD1-CD1 4.22Å; L1989-Y1994 HydrophobicContact CD1-CD2 3.93Å; L1989-Y1994 HydrophobicContact CD1-CE1 3.89Å; L1989-Y1994 HydrophobicContact CD1-CE2 3.55Å; L1989-Y1994 VanDerWaalsContact CD1-CE2 3.44Å; L1989-Y1994 HydrophobicContact CD1-CG 4.24Å; L1989-Y1994 VanDerWaalsContact CD1-CZ 3.4Å; L1989-Y1994 HydrophobicContact CG-CE2 4.05Å; L1989-V2014 HydrophobicContact CD2-CG2 3.67Å; L1989-V2014 HydrophobicContact CG-CG2 3.95Å; L1989-S2062 VanDerWaalsContact C-CB 3.47Å; L1989-S2062 VanDerWaalsContact N-CB 3.31Å; L1989-S2062 PolarHBondContact N-OG 3.04Å; L1989-S2062 WeakPolarHBondContact O-CB 3.35Å; L1989-S2062 PolarHBondContact O-OG 2.96Å | ||
| 1990 | P | 88.2 | Confident | 89.2 | Confident | 21.2 Ų | 21.2 | 34 Ų | 34 | 14% | 0.138 | 18% | 0.178 | C | C | . | . | trans | -62.4 | 174.2 | 179.6 | -23.9 | 34.9 | 0 | 0 | 0 | 113.2 | G1992 Y1994 M2041 D2042 | P1990-G1992 PolarHBondContact O-N 2.95Å; P1990-Y1994 WeakPolarHBondContact CD-OH 3.44Å; P1990-Y1994 WeakPolarHBondContact O-CE2 3.45Å; P1990-Y1994 PolarHBondContact O-OH 2.9Å; P1990-Y1994 VanDerWaalsContact O-OH 3.13Å; P1990-M2041 WeakPolarHBondContact CA-O 3.37Å; P1990-D2042 HydrophobicContact CB-CB 4.24Å; P1990-D2042 HydrophobicContact CG-CB 4.01Å; P1990-D2042 WeakPolarHBondContact CG-OD2 3.44Å | ||
| 1991 | N | 87.7 | Confident | 88.2 | Confident | 50.8 Ų | 50.8 | 30.6 Ų | 30.6 | 27% | 0.272 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -57.4 | 123.9 | 171.8 | 173.9 | 132.1 | 0 | 0 | 0 | 111.6 | V2014 N2015 F2016 G2040 L2093 | N1991-V2014 CarbonylContact C-O 3.53Å; N1991-V2014 WeakPolarHBondContact CA-O 3.32Å; N1991-V2014 PolarHBondContact ND2-O 3.5Å; N1991-V2014 PolarHBondContact OD1-O 3.42Å; N1991-V2014 VanDerWaalsContact OD1-O 3.09Å; N1991-N2015 WeakPolarHBondContact ND2-CA 3.4Å; N1991-N2015 VanDerWaalsContact OD1-CA 3.25Å; N1991-N2015 WeakPolarHBondContact OD1-CA 3.46Å; N1991-F2016 HydrophobicContact CB-CB 4.04Å; N1991-F2016 PolarHBondContact ND2-N 2.92Å; N1991-F2016 VanDerWaalsContact ND2-N 3.17Å; N1991-F2016 PolarHBondContact OD1-N 3.21Å; N1991-G2040 PolarHBondContact N-O 3.31Å; N1991-G2040 VanDerWaalsContact N-O 3.08Å; N1991-L2093 HydrophobicContact CB-CD1 4.05Å; N1991-L2093 WeakPolarHBondContact OD1-CD1 3.41Å |
| 1992 | G | 86.8 | Confident | 87.3 | Confident | 22 Ų | 22 | 31.8 Ų | 31.8 | 23% | 0.227 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.6 | 179.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | P1990 Y2013 V2014 | P1990-G1992 PolarHBondContact O-N 2.95Å; G1992-Y2013 WeakPolarHBondContact O-CA 3.49Å; G1992-V2014 PolarHBondContact N-O 2.95Å; G1992-V2014 VanDerWaalsContact N-O 3.12Å; G1992-V2014 PolarHBondContact O-N 3.01Å; G1992-V2014 VanDerWaalsContact O-N 3.16Å |
| 1993 | I | 85.7 | Confident | 86.7 | Confident | 102.4 Ų | 102.4 | 33.9 Ų | 33.9 | 53% | 0.525 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.9 | 173.6 | -51.9 | 175.7 | 0 | 0 | 0 | 108.6 | N1968 I2012 Y2013 | N1968-I1993 PolarHBondContact ND2-O 3.05Å; N1968-I1993 VanDerWaalsContact ND2-O 3.1Å; I1993-I2012 CarbonylContact C-O 3.54Å; I1993-I2012 VanDerWaalsContact CA-O 3.26Å; I1993-I2012 WeakPolarHBondContact CA-O 3.44Å; I1993-Y2013 HydrophobicContact CB-CD1 4.44Å; I1993-Y2013 HydrophobicContact CB-CE1 4.35Å; I1993-Y2013 HydrophobicContact CD1-CD1 4.11Å; I1993-Y2013 HydrophobicContact CD1-CE1 3.67Å; I1993-Y2013 HydrophobicContact CG1-CD1 3.7Å; I1993-Y2013 HydrophobicContact CG1-CE1 3.74Å; I1993-Y2013 HydrophobicContact CG2-CD1 4.25Å; I1993-Y2013 HydrophobicContact CG2-CE1 3.93Å |
| 1994 | Y | 87.7 | Confident | 86.3 | Confident | 21 Ų | 21 | 32.6 Ų | 32.6 | 8% | 0.082 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 133.4 | -172.7 | -60.9 | -84.3 | 0 | 0 | 0 | 112.8 | L1967 N1968 I1970 L1989 P1990 S2011 I2012 V2014 | L1967-Y1994 HydrophobicContact CB-CD1 4.15Å; L1967-Y1994 HydrophobicContact CB-CG 4.29Å; L1967-Y1994 HydrophobicContact CD2-CG 4.25Å; N1968-Y1994 HydrophobicContact CB-CD1 4.42Å; I1970-Y1994 HydrophobicContact CD1-CD1 4.24Å; I1970-Y1994 HydrophobicContact CD1-CE1 3.48Å; I1970-Y1994 VanDerWaalsContact CD1-CE1 3.46Å; I1970-Y1994 HydrophobicContact CG1-CE1 4.42Å; L1989-Y1994 HydrophobicContact CD1-CD1 4.22Å; L1989-Y1994 HydrophobicContact CD1-CD2 3.93Å; L1989-Y1994 HydrophobicContact CD1-CE1 3.89Å; L1989-Y1994 HydrophobicContact CD1-CE2 3.55Å; L1989-Y1994 VanDerWaalsContact CD1-CE2 3.44Å; L1989-Y1994 HydrophobicContact CD1-CG 4.24Å; L1989-Y1994 VanDerWaalsContact CD1-CZ 3.4Å; L1989-Y1994 HydrophobicContact CG-CE2 4.05Å; P1990-Y1994 WeakPolarHBondContact CD-OH 3.44Å; P1990-Y1994 WeakPolarHBondContact O-CE2 3.45Å; P1990-Y1994 PolarHBondContact O-OH 2.9Å; P1990-Y1994 VanDerWaalsContact O-OH 3.13Å; Y1994-S2011 VanDerWaalsContact O-CA 3.29Å; Y1994-S2011 WeakPolarHBondContact O-CA 3.31Å; Y1994-S2011 WeakPolarHBondContact O-CB 3.31Å; Y1994-I2012 PolarHBondContact N-O 3.14Å; Y1994-I2012 PolarHBondContact O-N 3.15Å; Y1994-V2014 HydrophobicContact CD2-CG2 4.27Å; Y1994-V2014 HydrophobicContact CE2-CB 4.34Å; Y1994-V2014 HydrophobicContact CE2-CG2 4.04Å |
| 1995 | Q | 86.6 | Confident | 86 | Confident | 109 Ų | 109 | 36.1 Ų | 36.1 | 51% | 0.509 | 18% | 0.184 | S | C | . | . | trans | -91.3 | 128.3 | 169.2 | -63.1 | -101.5 | -15.8 | 0 | 0 | 110 | L1967 N1968 S2011 | L1967-Q1995 CarbonylContact C-O 3.58Å; L1967-Q1995 VanDerWaalsContact CA-O 3.26Å; L1967-Q1995 WeakPolarHBondContact CA-O 3.32Å; N1968-Q1995 PolarHBondContact N-O 3.07Å; N1968-Q1995 VanDerWaalsContact OD1-CB 3.28Å; N1968-Q1995 WeakPolarHBondContact OD1-CB 3.41Å; N1968-Q1995 PolarHBondContact OD1-N 3.03Å; Q1995-S2011 PolarHBondContact NE2-OG 3.03Å; Q1995-S2011 PolarHBondContact OE1-OG 3.32Å | ||
| 1996 | L | 89.1 | Confident | 85.8 | Confident | 9.2 Ų | 9.2 | 36 Ų | 36 | 5% | 0.048 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 137.1 | 175.2 | -175.8 | 70.7 | 0 | 0 | 0 | 110 | V1928 I1931 L1946 I1948 V1965 K1966 L1967 V1998 I2008 | V1928-L1996 HydrophobicContact CG1-CD2 4.34Å; V1928-L1996 HydrophobicContact CG2-CD2 4.43Å; I1931-L1996 HydrophobicContact CD1-CB 4.4Å; I1931-L1996 HydrophobicContact CD1-CD2 3.47Å; I1931-L1996 VanDerWaalsContact CD1-CD2 3.46Å; I1931-L1996 HydrophobicContact CD1-CG 4.48Å; I1931-L1996 HydrophobicContact CG1-CD2 4.01Å; L1946-L1996 HydrophobicContact CD2-CD1 3.96Å; I1948-L1996 HydrophobicContact CD1-CD1 4.02Å; I1948-L1996 HydrophobicContact CD1-CD2 4.04Å; I1948-L1996 HydrophobicContact CG1-CD2 4.28Å; I1948-L1996 HydrophobicContact CG2-CD2 4.19Å; V1965-L1996 HydrophobicContact CG1-CD1 3.59Å; V1965-L1996 VanDerWaalsContact CG1-CD1 3.47Å; K1966-L1996 CarbonylContact O-C 3.56Å; K1966-L1996 WeakPolarHBondContact O-CA 3.37Å; L1967-L1996 HydrophobicContact CD1-CD1 3.75Å; L1967-L1996 HydrophobicContact CD2-CB 4.25Å; L1967-L1996 HydrophobicContact CD2-CD1 4.19Å; L1967-L1996 HydrophobicContact CG-CD1 4.34Å; L1996-V1998 HydrophobicContact CD2-CG2 4.12Å; L1996-V1998 HydrophobicContact CG-CG2 4.17Å; L1996-I2008 HydrophobicContact CB-CD1 4.16Å; L1996-I2008 HydrophobicContact CB-CG2 4.37Å; L1996-I2008 HydrophobicContact CD2-CD1 4.23Å; L1996-I2008 HydrophobicContact CG-CD1 4.03Å; L1996-I2008 WeakPolarHBondContact O-CD1 3.32Å |
| 1997 | I | 88.8 | Confident | 85.6 | Confident | 67.2 Ų | 67.2 | 38.9 Ų | 38.9 | 35% | 0.345 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 126.4 | 170.2 | -58.2 | 173.4 | 0 | 0 | 0 | 107.1 | V1965 K1966 Y2005 | V1965-I1997 CarbonylContact C-O 3.52Å; V1965-I1997 WeakPolarHBondContact CA-O 3.38Å; K1966-I1997 HydrophobicContact CB-CB 4.41Å; K1966-I1997 PolarHBondContact N-O 3.08Å; K1966-I1997 PolarHBondContact O-N 2.99Å; I1997-Y2005 HydrophobicContact CG2-CD1 4.03Å; I1997-Y2005 HydrophobicContact CG2-CE1 4.03Å |
| 1998 | V | 89.4 | Confident | 85.4 | Confident | 0.8 Ų | 0.8 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 111 | 171.3 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | V1928 L1953 T1963 E1964 V1965 I1982 L1996 T2000 Y2005 A2006 I2008 | V1928-V1998 HydrophobicContact CG2-CB 4.5Å; V1928-V1998 HydrophobicContact CG2-CG2 3.91Å; L1953-V1998 HydrophobicContact CD2-CG1 4.33Å; T1963-V1998 HydrophobicContact CG2-CG1 4.07Å; E1964-V1998 WeakPolarHBondContact O-CA 3.36Å; V1965-V1998 HydrophobicContact CG1-CG2 4.42Å; V1965-V1998 HydrophobicContact CG2-CG1 4.34Å; V1965-V1998 HydrophobicContact CG2-CG2 4.26Å; I1982-V1998 HydrophobicContact CD1-CG1 3.89Å; L1996-V1998 HydrophobicContact CD2-CG2 4.12Å; L1996-V1998 HydrophobicContact CG-CG2 4.17Å; V1998-T2000 HydrophobicContact CG1-CG2 4.2Å; V1998-Y2005 CarbonylContact O-C 3.54Å; V1998-Y2005 WeakPolarHBondContact O-CA 3.33Å; V1998-A2006 HydrophobicContact CB-CB 3.93Å; V1998-A2006 HydrophobicContact CG1-CB 4.41Å; V1998-A2006 PolarHBondContact O-N 3.2Å; V1998-I2008 HydrophobicContact CG2-CD1 4.23Å |
| 1999 | D | 87.6 | Confident | 84.9 | Confident | 8.4 Ų | 8.4 | 42.4 Ų | 42.4 | 5% | 0.045 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 111.3 | -179.4 | -177.4 | -4.1 | 0 | 0 | 0 | 109.1 | R1889 K1961 T1963 E1964 Y2005 | R1889-D1999 IonicContact CZ-OD1 3.18Å; R1889-D1999 IonicContact CZ-OD2 3.4Å; R1889-D1999 IonicContact NE-OD2 3.55Å; R1889-D1999 IonicContact NH1-OD2 3.61Å; R1889-D1999 PolarHBondContact NH1-OD2 3.29Å; R1889-D1999 IonicContact NH2-OD1 3.39Å; R1889-D1999 PolarHBondContact NH2-OD1 3.22Å; R1889-D1999 IonicContact NH2-OD2 3.08Å; R1889-D1999 PolarHBondContact NH2-OD2 2.75Å; K1961-D1999 IonicContact NZ-OD1 3.5Å; K1961-D1999 PolarHBondContact NZ-OD1 2.92Å; K1961-D1999 VanDerWaalsContact NZ-OD1 3.07Å; K1961-D1999 IonicContact NZ-OD2 2.94Å; K1961-D1999 PolarHBondContact NZ-OD2 3.09Å; T1963-D1999 CarbonylContact C-O 3.5Å; T1963-D1999 VanDerWaalsContact CA-O 3.27Å; T1963-D1999 WeakPolarHBondContact CA-O 3.3Å; T1963-D1999 WeakPolarHBondContact CG2-O 3.35Å; E1964-D1999 HydrophobicContact CB-CB 4.41Å; E1964-D1999 PolarHBondContact N-O 3.06Å; E1964-D1999 PolarHBondContact O-N 2.95Å; D1999-Y2005 HydrophobicContact CB-CD1 3.83Å; D1999-Y2005 HydrophobicContact CB-CE1 3.8Å; D1999-Y2005 WeakPolarHBondContact OD2-CE1 3.35Å |
| 2000 | T | 85 | Confident | 84.1 | Confident | 0.4 Ų | 0.4 | 47.8 Ų | 47.8 | 0% | 0.002 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134.4 | -178.6 | 66.5 | 0 | 0 | 0 | 0 | 110.5 | P1926 L1953 T1963 V1998 I2002 Y2003 G2004 | P1926-T2000 HydrophobicContact CB-CG2 4.35Å; P1926-T2000 HydrophobicContact CG-CG2 4.11Å; P1926-T2000 WeakPolarHBondContact CG-OG1 3.38Å; L1953-T2000 WeakPolarHBondContact O-CG2 3.45Å; T1963-T2000 HydrophobicContact CG2-CG2 4.22Å; V1998-T2000 HydrophobicContact CG1-CG2 4.2Å; T2000-I2002 VanDerWaalsContact C-N 3.31Å; T2000-I2002 PolarHBondContact O-N 3.08Å; T2000-Y2003 PolarHBondContact O-N 2.84Å; T2000-Y2003 VanDerWaalsContact O-N 3.11Å; T2000-Y2003 VanDerWaalsContact OG1-CB 3.31Å; T2000-Y2003 WeakPolarHBondContact OG1-CB 3.34Å; T2000-Y2003 PolarHBondContact OG1-N 3.45Å; T2000-G2004 PolarHBondContact N-O 3.01Å; T2000-G2004 WeakPolarHBondContact O-CA 3.42Å; T2000-G2004 PolarHBondContact O-N 3.22Å; T2000-G2004 VanDerWaalsContact O-N 3.16Å; T2000-G2004 PolarHBondContact OG1-N 3.1Å; T2000-G2004 VanDerWaalsContact OG1-N 3.17Å; T2000-G2004 PolarHBondContact OG1-O 2.99Å |
| 2001 | P | 70.7 | Confident | 83.7 | Confident | 19 Ų | 19 | 49 Ų | 49 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -37.3 | -168.2 | -28.8 | 35.4 | 0 | 0 | 0 | 115.9 | K1961 M1962 T1963 | K1961-P2001 VanDerWaalsContact C-CG 3.48Å; K1961-P2001 HydrophobicContact CB-CB 4Å; K1961-P2001 HydrophobicContact CB-CG 3.86Å; K1961-P2001 HydrophobicContact CD-CG 4.48Å; K1961-P2001 HydrophobicContact CG-CB 4.39Å; K1961-P2001 HydrophobicContact CG-CG 3.98Å; K1961-P2001 WeakPolarHBondContact O-CB 3.33Å; K1961-P2001 WeakPolarHBondContact O-CG 3.29Å; M1962-P2001 VanDerWaalsContact C-CG 3.4Å; M1962-P2001 WeakPolarHBondContact O-CG 3.5Å; T1963-P2001 VanDerWaalsContact N-CG 3.29Å; T1963-P2001 WeakPolarHBondContact OG1-CD 3.27Å |
| 2002 | I | 72 | Confident | 83.5 | Confident | 62 Ų | 62 | 47.5 Ų | 47.5 | 32% | 0.318 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -41.3 | -176.2 | -68 | -160.4 | 0 | 0 | 0 | 112 | T1851 D1956 T2000 | T1851-I2002 WeakPolarHBondContact CG2-O 3.27Å; D1956-I2002 HydrophobicContact CB-CB 3.98Å; D1956-I2002 HydrophobicContact CB-CD1 3.25Å; D1956-I2002 VanDerWaalsContact CB-CD1 3.42Å; D1956-I2002 HydrophobicContact CB-CG1 3.58Å; D1956-I2002 VanDerWaalsContact CB-CG1 3.46Å; D1956-I2002 HydrophobicContact CB-CG2 4.46Å; D1956-I2002 WeakPolarHBondContact O-CD1 3.32Å; D1956-I2002 VanDerWaalsContact O-CG1 3.3Å; D1956-I2002 WeakPolarHBondContact O-CG1 3.3Å; D1956-I2002 WeakPolarHBondContact OD2-CD1 3.39Å; T2000-I2002 VanDerWaalsContact C-N 3.31Å; T2000-I2002 PolarHBondContact O-N 3.08Å |
| 2003 | Y | 80.7 | Confident | 83.4 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 18% | 0.176 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -39.3 | -171.4 | -54.1 | -63.8 | 0 | 0 | 0 | 110.7 | S1846 T1851 K1924 P1926 M1952 T2000 | S1846-Y2003 WeakPolarHBondContact CB-O 3.26Å; S1846-Y2003 PolarHBondContact N-O 2.87Å; T1851-Y2003 PolarHBondContact OG1-O 2.91Å; K1924-Y2003 HydrophobicContact CB-CD1 4.1Å; K1924-Y2003 HydrophobicContact CB-CE1 4.33Å; K1924-Y2003 HydrophobicContact CD-CD1 4.08Å; K1924-Y2003 HydrophobicContact CD-CE1 3.84Å; K1924-Y2003 HydrophobicContact CG-CE1 4.46Å; K1924-Y2003 WeakPolarHBondContact O-CB 3.35Å; K1924-Y2003 WeakPolarHBondContact O-CD1 3.44Å; P1926-Y2003 HydrophobicContact CG-CD2 4.25Å; P1926-Y2003 HydrophobicContact CG-CG 4.23Å; M1952-Y2003 HydrophobicContact CB-CD2 4.34Å; M1952-Y2003 HydrophobicContact CB-CE2 4.32Å; M1952-Y2003 HydrophobicContact CE-CD1 3.52Å; M1952-Y2003 HydrophobicContact CE-CD2 3.99Å; M1952-Y2003 HydrophobicContact CE-CE1 3.71Å; M1952-Y2003 HydrophobicContact CE-CE2 3.73Å; M1952-Y2003 VanDerWaalsContact CE-CE2 3.49Å; M1952-Y2003 HydrophobicContact CE-CG 3.78Å; M1952-Y2003 WeakPolarHBondContact O-CD2 3.14Å; T2000-Y2003 PolarHBondContact O-N 2.84Å; T2000-Y2003 VanDerWaalsContact O-N 3.11Å; T2000-Y2003 VanDerWaalsContact OG1-CB 3.31Å; T2000-Y2003 WeakPolarHBondContact OG1-CB 3.34Å; T2000-Y2003 PolarHBondContact OG1-N 3.45Å |
| 2004 | G | 83.8 | Confident | 83.5 | Confident | 0.4 Ų | 0.4 | 49.9 Ų | 49.9 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 111.3 | -149.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G1849 T2000 | G1849-G2004 CarbonylContact O-C 3.5Å; G1849-G2004 VanDerWaalsContact O-CA 3.29Å; G1849-G2004 WeakPolarHBondContact O-CA 3.32Å; T2000-G2004 PolarHBondContact N-O 3.01Å; T2000-G2004 WeakPolarHBondContact O-CA 3.42Å; T2000-G2004 PolarHBondContact O-N 3.22Å; T2000-G2004 VanDerWaalsContact O-N 3.16Å; T2000-G2004 PolarHBondContact OG1-N 3.1Å; T2000-G2004 VanDerWaalsContact OG1-N 3.17Å; T2000-G2004 PolarHBondContact OG1-O 2.99Å |
| 2005 | Y | 87.6 | Confident | 83.4 | Confident | 73.6 Ų | 73.6 | 54.9 Ų | 54.9 | 29% | 0.289 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 150.3 | -177.4 | -59.5 | -56.3 | 0 | 0 | 0 | 112.7 | S1846 A1848 G1849 G1850 R1889 P1926 I1997 V1998 D1999 | S1846-Y2005 PolarHBondContact OG-O 2.77Å; A1848-Y2005 VanDerWaalsContact CB-O 3.28Å; A1848-Y2005 WeakPolarHBondContact CB-O 3.35Å; G1849-Y2005 PolarHBondContact O-N 2.91Å; G1850-Y2005 VanDerWaalsContact CA-CD2 3.44Å; G1850-Y2005 VanDerWaalsContact CA-CE2 3.45Å; R1889-Y2005 PolarHBondContact NH1-OH 2.95Å; P1926-Y2005 WeakPolarHBondContact CD-O 3.38Å; I1997-Y2005 HydrophobicContact CG2-CD1 4.03Å; I1997-Y2005 HydrophobicContact CG2-CE1 4.03Å; V1998-Y2005 CarbonylContact O-C 3.54Å; V1998-Y2005 WeakPolarHBondContact O-CA 3.33Å; D1999-Y2005 HydrophobicContact CB-CD1 3.83Å; D1999-Y2005 HydrophobicContact CB-CE1 3.8Å; D1999-Y2005 WeakPolarHBondContact OD2-CE1 3.35Å |
| 2006 | A | 88.2 | Confident | 83.5 | Confident | 10.6 Ų | 10.6 | 50.5 Ų | 50.5 | 9% | 0.088 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -88.3 | 145.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1926 V1928 L1953 V1998 | P1926-A2006 HydrophobicContact CB-CB 3.83Å; P1926-A2006 CarbonylContact O-C 3.51Å; P1926-A2006 VanDerWaalsContact O-CA 3.26Å; P1926-A2006 WeakPolarHBondContact O-CA 3.31Å; V1928-A2006 HydrophobicContact CG2-CB 4.12Å; L1953-A2006 HydrophobicContact CD2-CB 4.47Å; V1998-A2006 HydrophobicContact CB-CB 3.93Å; V1998-A2006 HydrophobicContact CG1-CB 4.41Å; V1998-A2006 PolarHBondContact O-N 3.2Å |
| 2007 | L | 86.8 | Confident | 83.5 | Confident | 63.2 Ų | 63.2 | 52.1 Ų | 52.1 | 33% | 0.331 | 26% | 0.26 | S | S | . | . | B | Isolated β-bridge | trans | -72.4 | 129.4 | 169.4 | -67.2 | 171.8 | 0 | 0 | 0 | 110.9 | A1848 L1894 T1925 P1926 K1927 V1928 | A1848-L2007 HydrophobicContact CB-CD2 4.11Å; A1848-L2007 HydrophobicContact CB-CG 4.27Å; L1894-L2007 HydrophobicContact CD2-CD2 3.72Å; T1925-L2007 HydrophobicContact CG2-CD1 3.96Å; T1925-L2007 HydrophobicContact CG2-CG 4.01Å; P1926-L2007 PolarHBondContact O-N 3.05Å; K1927-L2007 WeakPolarHBondContact CA-O 3.45Å; K1927-L2007 HydrophobicContact CB-CB 4.37Å; K1927-L2007 HydrophobicContact CG-CB 4.25Å; V1928-L2007 PolarHBondContact N-O 2.98Å |
| 2008 | I | 83.8 | Confident | 83.6 | Confident | 48.2 Ų | 48.2 | 49.9 Ų | 49.9 | 25% | 0.247 | 25% | 0.249 | C | C | . | . | trans | -136.9 | 134.1 | -174.5 | -59.7 | 164.8 | 0 | 0 | 0 | 109.5 | V1928 L1996 V1998 | V1928-I2008 HydrophobicContact CB-CG1 3.87Å; V1928-I2008 HydrophobicContact CG2-CD1 4.22Å; V1928-I2008 HydrophobicContact CG2-CG1 3.72Å; L1996-I2008 HydrophobicContact CB-CD1 4.16Å; L1996-I2008 HydrophobicContact CB-CG2 4.37Å; L1996-I2008 HydrophobicContact CD2-CD1 4.23Å; L1996-I2008 HydrophobicContact CG-CD1 4.03Å; L1996-I2008 WeakPolarHBondContact O-CD1 3.32Å; V1998-I2008 HydrophobicContact CG2-CD1 4.23Å | ||
| 2009 | E | 76.5 | Confident | 83.7 | Confident | 154 Ų | 154 | 54.6 Ų | 54.6 | 72% | 0.72 | 27% | 0.274 | S | S | * | . | trans | -104.4 | -18.3 | -175.3 | -68.5 | 175.7 | -162.2 | 0 | 0 | 114.8 | K1927 | K1927-E2009 WeakPolarHBondContact CE-OE1 3.36Å; K1927-E2009 IonicContact NZ-OE1 3.17Å; K1927-E2009 PolarHBondContact NZ-OE1 3.1Å | ||
| 2010 | N | 72.4 | Confident | 83.9 | Confident | 115.8 Ų | 115.8 | 56.4 Ų | 56.4 | 62% | 0.619 | 29% | 0.287 | S | S | * | . | trans | -129.1 | 154.1 | -169.1 | -69.9 | -17.7 | 0 | 0 | 0 | 115.1 | ||||
| 2011 | S | 80 | Confident | 84.3 | Confident | 46.2 Ų | 46.2 | 57.2 Ų | 57.2 | 32% | 0.323 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 160.6 | 176 | -50 | 0 | 0 | 0 | 0 | 113.6 | Y1994 Q1995 | Y1994-S2011 VanDerWaalsContact O-CA 3.29Å; Y1994-S2011 WeakPolarHBondContact O-CA 3.31Å; Y1994-S2011 WeakPolarHBondContact O-CB 3.31Å; Q1995-S2011 PolarHBondContact NE2-OG 3.03Å; Q1995-S2011 PolarHBondContact OE1-OG 3.32Å |
| 2012 | I | 84.7 | Confident | 85.3 | Confident | 18.2 Ų | 18.2 | 59.9 Ų | 59.9 | 9% | 0.093 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 140.7 | -176.5 | -61.2 | 169.9 | 0 | 0 | 0 | 111.5 | I1931 M1933 L1946 L1967 I1993 Y1994 | I1931-I2012 HydrophobicContact CD1-CD1 4.36Å; I1931-I2012 HydrophobicContact CD1-CG1 4.4Å; I1931-I2012 HydrophobicContact CG2-CD1 4.09Å; M1933-I2012 HydrophobicContact CE-CG2 3.36Å; M1933-I2012 VanDerWaalsContact CE-CG2 3.45Å; M1933-I2012 HydrophobicContact SD-CG2 3.5Å; M1933-I2012 WeakPolarHBondContact SD-CG2 3.09Å; L1946-I2012 HydrophobicContact CD1-CD1 4.15Å; L1946-I2012 HydrophobicContact CD2-CD1 4.19Å; L1967-I2012 HydrophobicContact CD1-CD1 4.25Å; L1967-I2012 HydrophobicContact CD2-CB 4.48Å; L1967-I2012 HydrophobicContact CD2-CD1 3.69Å; L1967-I2012 HydrophobicContact CD2-CG1 4.37Å; L1967-I2012 HydrophobicContact CD2-CG2 4.41Å; L1967-I2012 HydrophobicContact CG-CD1 4.2Å; I1993-I2012 CarbonylContact C-O 3.54Å; I1993-I2012 VanDerWaalsContact CA-O 3.26Å; I1993-I2012 WeakPolarHBondContact CA-O 3.44Å; Y1994-I2012 PolarHBondContact N-O 3.14Å; Y1994-I2012 PolarHBondContact O-N 3.15Å |
| 2013 | Y | 84.3 | Confident | 86.1 | Confident | 161.4 Ų | 161.4 | 58.5 Ų | 58.5 | 63% | 0.633 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.5 | -176.4 | -62.7 | -96.9 | 0 | 0 | 0 | 113.3 | G1992 I1993 | G1992-Y2013 WeakPolarHBondContact O-CA 3.49Å; I1993-Y2013 HydrophobicContact CB-CD1 4.44Å; I1993-Y2013 HydrophobicContact CB-CE1 4.35Å; I1993-Y2013 HydrophobicContact CD1-CD1 4.11Å; I1993-Y2013 HydrophobicContact CD1-CE1 3.67Å; I1993-Y2013 HydrophobicContact CG1-CD1 3.7Å; I1993-Y2013 HydrophobicContact CG1-CE1 3.74Å; I1993-Y2013 HydrophobicContact CG2-CD1 4.25Å; I1993-Y2013 HydrophobicContact CG2-CE1 3.93Å |
| 2014 | V | 87.3 | Confident | 86.6 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 129 | 179 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | M1933 L1989 N1991 G1992 Y1994 I2039 | M1933-V2014 HydrophobicContact CE-CG2 4.18Å; M1933-V2014 HydrophobicContact SD-CG2 4.35Å; L1989-V2014 HydrophobicContact CD2-CG2 3.67Å; L1989-V2014 HydrophobicContact CG-CG2 3.95Å; N1991-V2014 CarbonylContact C-O 3.53Å; N1991-V2014 WeakPolarHBondContact CA-O 3.32Å; N1991-V2014 PolarHBondContact ND2-O 3.5Å; N1991-V2014 PolarHBondContact OD1-O 3.42Å; N1991-V2014 VanDerWaalsContact OD1-O 3.09Å; G1992-V2014 PolarHBondContact N-O 2.95Å; G1992-V2014 VanDerWaalsContact N-O 3.12Å; G1992-V2014 PolarHBondContact O-N 3.01Å; G1992-V2014 VanDerWaalsContact O-N 3.16Å; Y1994-V2014 HydrophobicContact CD2-CG2 4.27Å; Y1994-V2014 HydrophobicContact CE2-CB 4.34Å; Y1994-V2014 HydrophobicContact CE2-CG2 4.04Å; V2014-I2039 HydrophobicContact CG1-CG2 4.18Å |
| 2015 | N | 85.3 | Confident | 86.9 | Confident | 124.8 Ų | 124.8 | 63 Ų | 63 | 67% | 0.667 | 34% | 0.335 | S | S | * | . | trans | -112 | 141.4 | -176.8 | -73.3 | -28.5 | 0 | 0 | 0 | 113.9 | N1991 T2017 I2039 | N1991-N2015 WeakPolarHBondContact ND2-CA 3.4Å; N1991-N2015 VanDerWaalsContact OD1-CA 3.25Å; N1991-N2015 WeakPolarHBondContact OD1-CA 3.46Å; N2015-T2017 PolarHBondContact O-N 3.37Å; N2015-I2039 WeakPolarHBondContact O-CG2 3.29Å | ||
| 2016 | F | 89.4 | Confident | 87 | Confident | 17.2 Ų | 17.2 | 59.5 Ų | 59.5 | 8% | 0.075 | 32% | 0.322 | C | S | . | . | trans | -77.1 | 125.1 | -178.7 | 177.3 | -124.9 | 0 | 0 | 0 | 115.3 | N1991 L2018 I2039 M2041 V2084 V2086 L2093 K2095 | N1991-F2016 HydrophobicContact CB-CB 4.04Å; N1991-F2016 PolarHBondContact ND2-N 2.92Å; N1991-F2016 VanDerWaalsContact ND2-N 3.17Å; N1991-F2016 PolarHBondContact OD1-N 3.21Å; F2016-L2018 HydrophobicContact CE2-CD2 4Å; F2016-L2018 HydrophobicContact CE2-CG 4.23Å; F2016-L2018 HydrophobicContact CZ-CD1 4.34Å; F2016-L2018 HydrophobicContact CZ-CD2 4.07Å; F2016-L2018 HydrophobicContact CZ-CG 3.93Å; F2016-I2039 CarbonylContact C-O 3.54Å; F2016-I2039 VanDerWaalsContact CA-O 3.24Å; F2016-I2039 WeakPolarHBondContact CA-O 3.28Å; F2016-I2039 WeakPolarHBondContact CD2-O 3.17Å; F2016-M2041 HydrophobicContact CD2-CG 4.3Å; F2016-M2041 HydrophobicContact CE2-CG 3.76Å; F2016-V2084 HydrophobicContact CZ-CB 4.31Å; F2016-V2084 HydrophobicContact CZ-CG1 4.33Å; F2016-V2086 HydrophobicContact CD2-CG2 3.86Å; F2016-V2086 HydrophobicContact CE1-CG2 4.25Å; F2016-V2086 HydrophobicContact CE2-CB 4.45Å; F2016-V2086 HydrophobicContact CE2-CG2 3.45Å; F2016-V2086 VanDerWaalsContact CE2-CG2 3.46Å; F2016-V2086 HydrophobicContact CG-CG2 4.4Å; F2016-V2086 HydrophobicContact CZ-CG2 3.66Å; F2016-L2093 HydrophobicContact CB-CD1 4.01Å; F2016-L2093 HydrophobicContact CD1-CB 3.79Å; F2016-L2093 HydrophobicContact CD1-CD1 4.26Å; F2016-L2093 HydrophobicContact CD1-CG 4.45Å; F2016-L2093 HydrophobicContact CE1-CB 4.2Å; F2016-L2093 HydrophobicContact CG-CB 4.44Å; F2016-L2093 HydrophobicContact CG-CD1 4.35Å; F2016-K2095 HydrophobicContact CD1-CB 4.44Å; F2016-K2095 HydrophobicContact CD1-CD 4.18Å; F2016-K2095 HydrophobicContact CD1-CG 4.11Å; F2016-K2095 HydrophobicContact CE1-CB 3.93Å; F2016-K2095 HydrophobicContact CE1-CD 4.14Å; F2016-K2095 HydrophobicContact CE1-CG 3.85Å; F2016-K2095 HydrophobicContact CZ-CB 4.16Å; F2016-K2095 HydrophobicContact CZ-CG 4.49Å; F2016-K2095 WeakPolarHBondContact O-CE 3.38Å; F2016-K2095 PolarHBondContact O-NZ 3.05Å | ||
| 2017 | T | 90 | Very high | 87 | Confident | 42.2 Ų | 42.2 | 59 Ų | 59 | 26% | 0.259 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 155.8 | 174.1 | 64.3 | 0 | 0 | 0 | 0 | 112.6 | N2015 N2019 G2038 I2039 | N2015-T2017 PolarHBondContact O-N 3.37Å; T2017-N2019 PolarHBondContact OG1-OD1 3.4Å; T2017-N2019 VanDerWaalsContact OG1-OD1 3.08Å; T2017-G2038 CarbonylContact O-C 3.56Å; T2017-G2038 WeakPolarHBondContact O-CA 3.33Å; T2017-I2039 PolarHBondContact N-O 2.77Å; T2017-I2039 PolarHBondContact O-N 3.12Å; T2017-I2039 WeakPolarHBondContact OG1-CB 3.29Å; T2017-I2039 WeakPolarHBondContact OG1-CG1 3.44Å; T2017-I2039 PolarHBondContact OG1-N 2.94Å |
| 2018 | L | 90.7 | Very high | 87.1 | Confident | 22 Ų | 22 | 56.6 Ų | 56.6 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 132.9 | 174.6 | -90.3 | 175.1 | 0 | 0 | 0 | 108.7 | F2016 I2036 M2041 V2084 K2095 L2097 | F2016-L2018 HydrophobicContact CE2-CD2 4Å; F2016-L2018 HydrophobicContact CE2-CG 4.23Å; F2016-L2018 HydrophobicContact CZ-CD1 4.34Å; F2016-L2018 HydrophobicContact CZ-CD2 4.07Å; F2016-L2018 HydrophobicContact CZ-CG 3.93Å; L2018-I2036 HydrophobicContact CD2-CG2 3.97Å; L2018-I2036 VanDerWaalsContact CD2-CG2 3.46Å; L2018-M2041 HydrophobicContact CD2-CG 4.41Å; L2018-M2041 HydrophobicContact CD2-SD 3.75Å; L2018-V2084 HydrophobicContact CD1-CB 3.64Å; L2018-V2084 HydrophobicContact CD1-CG2 3.74Å; L2018-V2084 HydrophobicContact CD2-CB 3.82Å; L2018-V2084 HydrophobicContact CD2-CG1 4.31Å; L2018-V2084 HydrophobicContact CD2-CG2 3.8Å; L2018-V2084 HydrophobicContact CG-CB 4.3Å; L2018-V2084 HydrophobicContact CG-CG2 4.28Å; L2018-K2095 HydrophobicContact CB-CB 4.19Å; L2018-K2095 HydrophobicContact CB-CD 4.31Å; L2018-K2095 VanDerWaalsContact CD1-C 3.48Å; L2018-K2095 HydrophobicContact CD1-CB 3.46Å; L2018-K2095 VanDerWaalsContact CD1-CB 3.44Å; L2018-K2095 VanDerWaalsContact CD1-O 3.3Å; L2018-K2095 WeakPolarHBondContact CD1-O 3.28Å; L2018-K2095 HydrophobicContact CG-CB 4.04Å; L2018-L2097 HydrophobicContact CB-CD2 4.3Å; L2018-L2097 HydrophobicContact CB-CG 4.39Å; L2018-L2097 HydrophobicContact CD2-CD1 3.79Å; L2018-L2097 HydrophobicContact CD2-CG 4.01Å |
| 2019 | N | 90.2 | Very high | 87.3 | Confident | 99.2 Ų | 99.2 | 56.9 Ų | 56.9 | 53% | 0.53 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | -51.8 | -168 | -63.4 | -6.3 | 0 | 0 | 0 | 112.9 | T2017 Q2037 | T2017-N2019 PolarHBondContact OG1-OD1 3.4Å; T2017-N2019 VanDerWaalsContact OG1-OD1 3.08Å; N2019-Q2037 HydrophobicContact CB-CB 4.42Å; N2019-Q2037 WeakPolarHBondContact CB-O 3.15Å; N2019-Q2037 PolarHBondContact N-O 3.1Å |
| 2020 | S | 92.5 | Very high | 87.8 | Confident | 46.2 Ų | 46.2 | 49.6 Ų | 49.6 | 32% | 0.323 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 165.6 | -172.7 | 55.7 | 0 | 0 | 0 | 0 | 112.6 | I2036 Q2037 | S2020-I2036 CarbonylContact O-C 3.5Å; S2020-I2036 VanDerWaalsContact O-CA 3.3Å; S2020-I2036 WeakPolarHBondContact O-CA 3.34Å; S2020-Q2037 PolarHBondContact N-O 2.98Å; S2020-Q2037 PolarHBondContact O-N 3Å |
| 2021 | I | 93.4 | Very high | 88.5 | Confident | 16.4 Ų | 16.4 | 45 Ų | 45 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140.8 | 166.7 | -176.2 | 171.7 | 0 | 0 | 0 | 108.8 | N2024 V2034 E2035 I2036 I2050 V2082 L2097 A2100 F2101 | I2021-N2024 HydrophobicContact CG2-CB 4.41Å; I2021-V2034 HydrophobicContact CD1-CB 4.03Å; I2021-V2034 HydrophobicContact CD1-CG1 4.39Å; I2021-V2034 HydrophobicContact CD1-CG2 4Å; I2021-V2034 HydrophobicContact CG1-CB 4.11Å; I2021-V2034 HydrophobicContact CG1-CG2 4.48Å; I2021-E2035 CarbonylContact C-O 3.54Å; I2021-E2035 VanDerWaalsContact CA-O 3.28Å; I2021-E2035 WeakPolarHBondContact CA-O 3.28Å; I2021-I2036 HydrophobicContact CB-CG1 4.23Å; I2021-I2036 HydrophobicContact CD1-CD1 4.49Å; I2021-I2036 HydrophobicContact CD1-CG1 4.04Å; I2021-I2036 HydrophobicContact CG1-CG1 3.9Å; I2021-I2050 HydrophobicContact CD1-CD1 4.18Å; I2021-V2082 HydrophobicContact CD1-CG1 4.25Å; I2021-V2082 HydrophobicContact CD1-CG2 3.72Å; I2021-V2082 HydrophobicContact CG2-CG2 4.31Å; I2021-L2097 HydrophobicContact CB-CD1 4.46Å; I2021-A2100 HydrophobicContact CG2-CB 3.79Å; I2021-A2100 VanDerWaalsContact CG2-O 3.28Å; I2021-A2100 WeakPolarHBondContact CG2-O 3.4Å; I2021-F2101 HydrophobicContact CD1-CB 4.41Å; I2021-F2101 HydrophobicContact CD1-CD2 3.96Å; I2021-F2101 HydrophobicContact CD1-CG 4.47Å |
| 2022 | S | 90.5 | Very high | 88.9 | Confident | 75.4 Ų | 75.4 | 42.9 Ų | 42.9 | 53% | 0.527 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 133.7 | 176.4 | -172.5 | 0 | 0 | 0 | 0 | 111.1 | E2035 | S2022-E2035 PolarHBondContact N-O 3.09Å; S2022-E2035 PolarHBondContact O-N 3.03Å |
| 2023 | P | 90.6 | Very high | 89.2 | Confident | 32.6 Ų | 32.6 | 45.7 Ų | 45.7 | 21% | 0.212 | 25% | 0.252 | C | S | . | . | S | Bend | cis | -64.5 | 161.5 | -11.3 | 27.8 | -34.6 | 0 | 0 | 0 | 112.3 | Q2032 V2034 | P2023-Q2032 HydrophobicContact CG-CG 4.35Å; P2023-V2034 HydrophobicContact CG-CG1 4.33Å |
| 2024 | N | 90.5 | Very high | 89.5 | Confident | 102.8 Ų | 102.8 | 38 Ų | 38 | 55% | 0.55 | 22% | 0.222 | S | C | . | . | trans | -101 | 9.8 | -177.8 | 67.2 | -12.3 | 0 | 0 | 0 | 113.6 | I2021 A2100 F2101 Q2102 | I2021-N2024 HydrophobicContact CG2-CB 4.41Å; N2024-A2100 VanDerWaalsContact CB-O 3.31Å; N2024-A2100 WeakPolarHBondContact CB-O 3.35Å; N2024-F2101 CarbonylContact O-C 3.45Å; N2024-F2101 VanDerWaalsContact O-CA 3.3Å; N2024-F2101 WeakPolarHBondContact O-CA 3.45Å; N2024-Q2102 PolarHBondContact O-N 3.14Å | ||
| 2025 | S | 90.4 | Very high | 89.8 | Confident | 37.8 Ų | 37.8 | 39.4 Ų | 39.4 | 26% | 0.264 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 155.6 | 174.5 | 61.8 | 0 | 0 | 0 | 0 | 112.4 | Q2032 Q2102 | S2025-Q2032 PolarHBondContact O-NE2 2.9Å; S2025-Q2032 PolarHBondContact O-OE1 2.84Å; S2025-Q2032 VanDerWaalsContact O-OE1 3.1Å; S2025-Q2102 CarbonylContact C-O 3.56Å; S2025-Q2102 WeakPolarHBondContact CA-O 3.35Å; S2025-Q2102 VanDerWaalsContact CB-O 3.29Å; S2025-Q2102 WeakPolarHBondContact CB-O 3.34Å |
| 2026 | G | 89.1 | Confident | 90.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.9 | 176.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q2032 Q2102 Y2103 N2104 | G2026-Q2032 VanDerWaalsContact CA-OE1 3.32Å; G2026-Q2102 PolarHBondContact N-O 3.12Å; G2026-Q2102 VanDerWaalsContact N-O 3.07Å; G2026-Y2103 CarbonylContact O-C 3.54Å; G2026-Y2103 WeakPolarHBondContact O-CA 3.39Å; G2026-N2104 PolarHBondContact O-N 2.91Å |
| 2027 | G | 88.4 | Confident | 90.3 | Very high | 1.4 Ų | 1.4 | 35.9 Ų | 35.9 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | trans | -74.7 | 158.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | E2029 G2030 Y2103 N2104 N2179 | G2027-E2029 VanDerWaalsContact C-N 3.32Å; G2027-E2029 PolarHBondContact O-N 3.09Å; G2027-G2030 PolarHBondContact O-N 3.11Å; G2027-Y2103 VanDerWaalsContact O-CD1 3.28Å; G2027-Y2103 WeakPolarHBondContact O-CD1 3.27Å; G2027-N2104 WeakPolarHBondContact CA-O 3.1Å; G2027-N2179 VanDerWaalsContact CA-O 3.27Å; G2027-N2179 WeakPolarHBondContact CA-O 3.26Å; G2027-N2179 PolarHBondContact N-O 2.96Å; G2027-N2179 VanDerWaalsContact N-O 3.16Å | ||
| 2028 | T | 88.7 | Confident | 90.4 | Very high | 10.8 Ų | 10.8 | 34.1 Ų | 34.1 | 7% | 0.066 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -19.4 | -175 | 49.7 | 0 | 0 | 0 | 0 | 114.7 | G2030 L2072 T2074 V2105 | T2028-G2030 VanDerWaalsContact C-N 3.26Å; T2028-G2030 PolarHBondContact O-N 2.96Å; T2028-L2072 WeakPolarHBondContact CB-O 3.25Å; T2028-L2072 CarbonylContact O-C 3.44Å; T2028-L2072 PolarHBondContact O-N 3.03Å; T2028-L2072 VanDerWaalsContact O-O 3.12Å; T2028-T2074 HydrophobicContact CG2-CG2 3.7Å; T2028-V2105 HydrophobicContact CG2-CB 4.32Å; T2028-V2105 HydrophobicContact CG2-CG2 3.9Å |
| 2029 | E | 87.5 | Confident | 90.3 | Very high | 55.6 Ų | 55.6 | 36.5 Ų | 36.5 | 26% | 0.26 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -6.5 | 177.9 | -70 | -63 | 125.7 | 0 | 0 | 113.5 | G2027 K2071 A2108 K2181 | G2027-E2029 VanDerWaalsContact C-N 3.32Å; G2027-E2029 PolarHBondContact O-N 3.09Å; E2029-K2071 VanDerWaalsContact CD-NZ 3.29Å; E2029-K2071 WeakPolarHBondContact O-CB 3.34Å; E2029-K2071 VanDerWaalsContact OE1-CE 3.26Å; E2029-K2071 WeakPolarHBondContact OE1-CE 3.37Å; E2029-K2071 IonicContact OE1-NZ 3.2Å; E2029-K2071 PolarHBondContact OE1-NZ 3.22Å; E2029-K2071 VanDerWaalsContact OE1-NZ 3.13Å; E2029-K2071 WeakPolarHBondContact OE2-CE 3.34Å; E2029-K2071 IonicContact OE2-NZ 3.11Å; E2029-K2071 PolarHBondContact OE2-NZ 2.84Å; E2029-A2108 HydrophobicContact CG-CB 4.26Å; E2029-K2181 HydrophobicContact CB-CB 4.4Å; E2029-K2181 VanDerWaalsContact CB-O 3.27Å; E2029-K2181 WeakPolarHBondContact CB-O 3.37Å |
| 2030 | G | 87.9 | Confident | 90.2 | Very high | 0.6 Ų | 0.6 | 31.8 Ų | 31.8 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | trans | 68.6 | -162.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G2027 T2028 Q2032 T2069 P2070 G2180 K2181 | G2027-G2030 PolarHBondContact O-N 3.11Å; T2028-G2030 VanDerWaalsContact C-N 3.26Å; T2028-G2030 PolarHBondContact O-N 2.96Å; G2030-Q2032 VanDerWaalsContact C-N 3.35Å; G2030-Q2032 PolarHBondContact O-N 3.08Å; G2030-T2069 CarbonylContact C-O 3.38Å; G2030-T2069 VanDerWaalsContact CA-O 3.28Å; G2030-T2069 WeakPolarHBondContact CA-O 3.39Å; G2030-P2070 WeakPolarHBondContact CA-O 3.19Å; G2030-G2180 CarbonylContact O-C 3.53Å; G2030-G2180 VanDerWaalsContact O-CA 3.24Å; G2030-G2180 WeakPolarHBondContact O-CA 3.3Å; G2030-K2181 WeakPolarHBondContact O-CB 3.24Å; G2030-K2181 PolarHBondContact O-N 3.15Å | ||
| 2031 | G | 87.3 | Confident | 90.2 | Very high | 20.2 Ų | 20.2 | 29.6 Ų | 29.6 | 21% | 0.208 | 17% | 0.169 | C | C | . | . | trans | 85.1 | 3.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V2068 T2069 | G2031-V2068 VanDerWaalsContact CA-CG1 3.46Å; G2031-T2069 PolarHBondContact N-O 2.95Å; G2031-T2069 PolarHBondContact N-OG1 2.91Å | ||
| 2032 | Q | 89.2 | Confident | 90 | Very high | 0.8 Ų | 0.8 | 29.9 Ų | 29.9 | 0% | 0.004 | 17% | 0.171 | C | C | . | . | trans | -84.2 | 137 | 175.9 | 168.7 | -178.7 | 43.7 | 0 | 0 | 110.7 | P2023 S2025 G2026 G2030 V2034 V2068 T2069 F2101 E2177 N2178 | P2023-Q2032 HydrophobicContact CG-CG 4.35Å; S2025-Q2032 PolarHBondContact O-NE2 2.9Å; S2025-Q2032 PolarHBondContact O-OE1 2.84Å; S2025-Q2032 VanDerWaalsContact O-OE1 3.1Å; G2026-Q2032 VanDerWaalsContact CA-OE1 3.32Å; G2030-Q2032 VanDerWaalsContact C-N 3.35Å; G2030-Q2032 PolarHBondContact O-N 3.08Å; Q2032-V2034 HydrophobicContact CG-CG1 4.23Å; Q2032-V2068 CarbonylContact O-C 3.5Å; Q2032-V2068 WeakPolarHBondContact O-CA 3.36Å; Q2032-T2069 HydrophobicContact CB-CG2 4.27Å; Q2032-T2069 VanDerWaalsContact CB-OG1 3.27Å; Q2032-T2069 WeakPolarHBondContact CB-OG1 3.4Å; Q2032-T2069 HydrophobicContact CG-CG2 4.47Å; Q2032-T2069 PolarHBondContact N-OG1 2.98Å; Q2032-T2069 VanDerWaalsContact N-OG1 3.12Å; Q2032-T2069 PolarHBondContact O-N 3.2Å; Q2032-T2069 PolarHBondContact O-OG1 2.96Å; Q2032-T2069 VanDerWaalsContact O-OG1 3.11Å; Q2032-F2101 VanDerWaalsContact OE1-CZ 3.23Å; Q2032-E2177 VanDerWaalsContact CG-O 3.29Å; Q2032-E2177 WeakPolarHBondContact CG-O 3.47Å; Q2032-E2177 PolarHBondContact NE2-O 3.09Å; Q2032-N2178 VanDerWaalsContact NE2-C 3.31Å; Q2032-N2178 VanDerWaalsContact NE2-CA 3.31Å; Q2032-N2178 PolarHBondContact NE2-O 2.96Å | ||
| 2033 | L | 89.6 | Confident | 89.8 | Confident | 76.4 Ų | 76.4 | 27.8 Ų | 27.8 | 40% | 0.4 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 126.5 | 172 | -172.2 | 65.9 | 0 | 0 | 0 | 110.2 | V2058 K2066 V2068 | L2033-V2058 HydrophobicContact CD1-CG2 3.34Å; L2033-V2058 VanDerWaalsContact CD1-CG2 3.45Å; L2033-K2066 HydrophobicContact CD1-CB 4.09Å; L2033-K2066 HydrophobicContact CD2-CD 4.33Å; L2033-K2066 HydrophobicContact CG-CB 4.42Å; L2033-V2068 HydrophobicContact CD1-CG2 4.41Å |
| 2034 | V | 91.9 | Very high | 89.6 | Confident | 0.6 Ų | 0.6 | 33.8 Ų | 33.8 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 140.8 | 174.9 | -65.1 | 0 | 0 | 0 | 0 | 110.6 | I2021 P2023 Q2032 I2050 K2066 C2067 T2069 F2101 | I2021-V2034 HydrophobicContact CD1-CB 4.03Å; I2021-V2034 HydrophobicContact CD1-CG1 4.39Å; I2021-V2034 HydrophobicContact CD1-CG2 4Å; I2021-V2034 HydrophobicContact CG1-CB 4.11Å; I2021-V2034 HydrophobicContact CG1-CG2 4.48Å; P2023-V2034 HydrophobicContact CG-CG1 4.33Å; Q2032-V2034 HydrophobicContact CG-CG1 4.23Å; V2034-I2050 HydrophobicContact CG2-CD1 4.09Å; V2034-K2066 CarbonylContact O-C 3.54Å; V2034-K2066 VanDerWaalsContact O-CA 3.29Å; V2034-K2066 WeakPolarHBondContact O-CA 3.35Å; V2034-C2067 WeakPolarHBondContact CG2-O 3.32Å; V2034-C2067 VanDerWaalsContact CG2-SG 3.54Å; V2034-C2067 WeakPolarHBondContact CG2-SG 3.36Å; V2034-C2067 PolarHBondContact N-O 2.94Å; V2034-C2067 PolarHBondContact O-N 3.08Å; V2034-T2069 HydrophobicContact CB-CG2 4.5Å; V2034-T2069 HydrophobicContact CG1-CG2 3.65Å; V2034-T2069 HydrophobicContact CG2-CG2 4.07Å; V2034-F2101 HydrophobicContact CG1-CD2 4.34Å; V2034-F2101 HydrophobicContact CG1-CE2 3.7Å; V2034-F2101 HydrophobicContact CG1-CZ 4.36Å |
| 2035 | E | 92.2 | Very high | 89.5 | Confident | 45 Ų | 45 | 34.2 Ų | 34.2 | 21% | 0.21 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.6 | 175.4 | -174.5 | 178.3 | 107.5 | 0 | 0 | 110.6 | I2021 S2022 Q2037 A2064 L2065 K2066 | I2021-E2035 CarbonylContact C-O 3.54Å; I2021-E2035 VanDerWaalsContact CA-O 3.28Å; I2021-E2035 WeakPolarHBondContact CA-O 3.28Å; S2022-E2035 PolarHBondContact N-O 3.09Å; S2022-E2035 PolarHBondContact O-N 3.03Å; E2035-Q2037 HydrophobicContact CG-CG 4.4Å; E2035-Q2037 PolarHBondContact OE1-NE2 2.88Å; E2035-A2064 HydrophobicContact CG-CB 3.97Å; E2035-L2065 CarbonylContact C-O 3.56Å; E2035-L2065 WeakPolarHBondContact CA-O 3.37Å; E2035-K2066 HydrophobicContact CB-CG 4.33Å; E2035-K2066 HydrophobicContact CG-CG 4.24Å; E2035-K2066 WeakPolarHBondContact OE2-CE 3.34Å; E2035-K2066 IonicContact OE2-NZ 3.57Å |
| 2036 | I | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 111.9 | -179.8 | -60.5 | 156.7 | 0 | 0 | 0 | 108.3 | L2018 S2020 I2021 V2048 A2064 L2065 V2082 V2084 | L2018-I2036 HydrophobicContact CD2-CG2 3.97Å; L2018-I2036 VanDerWaalsContact CD2-CG2 3.46Å; S2020-I2036 CarbonylContact O-C 3.5Å; S2020-I2036 VanDerWaalsContact O-CA 3.3Å; S2020-I2036 WeakPolarHBondContact O-CA 3.34Å; I2021-I2036 HydrophobicContact CB-CG1 4.23Å; I2021-I2036 HydrophobicContact CD1-CD1 4.49Å; I2021-I2036 HydrophobicContact CD1-CG1 4.04Å; I2021-I2036 HydrophobicContact CG1-CG1 3.9Å; I2036-V2048 HydrophobicContact CD1-CB 4.22Å; I2036-V2048 HydrophobicContact CD1-CG1 3.27Å; I2036-V2048 HydrophobicContact CD1-CG2 3.88Å; I2036-A2064 CarbonylContact O-C 3.54Å; I2036-A2064 VanDerWaalsContact O-CA 3.27Å; I2036-A2064 WeakPolarHBondContact O-CA 3.26Å; I2036-L2065 PolarHBondContact N-O 3.18Å; I2036-L2065 PolarHBondContact O-N 2.92Å; I2036-V2082 HydrophobicContact CD1-CG1 3.98Å; I2036-V2082 HydrophobicContact CG1-CG1 4.35Å; I2036-V2084 HydrophobicContact CD1-CG2 4.43Å; I2036-V2084 HydrophobicContact CG2-CG2 3.9Å |
| 2037 | Q | 92 | Very high | 89.7 | Confident | 68 Ų | 68 | 35.7 Ų | 35.7 | 32% | 0.318 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 142.5 | -176.3 | -64.2 | -175.2 | -5.1 | 0 | 0 | 111.9 | N2019 S2020 E2035 L2063 A2064 | N2019-Q2037 HydrophobicContact CB-CB 4.42Å; N2019-Q2037 WeakPolarHBondContact CB-O 3.15Å; N2019-Q2037 PolarHBondContact N-O 3.1Å; S2020-Q2037 PolarHBondContact N-O 2.98Å; S2020-Q2037 PolarHBondContact O-N 3Å; E2035-Q2037 HydrophobicContact CG-CG 4.4Å; E2035-Q2037 PolarHBondContact OE1-NE2 2.88Å; Q2037-L2063 WeakPolarHBondContact CA-O 3.44Å; Q2037-A2064 HydrophobicContact CG-CB 4.32Å |
| 2038 | G | 91.2 | Very high | 90 | Very high | 4.2 Ų | 4.2 | 35.7 Ų | 35.7 | 4% | 0.043 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.8 | -164 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | T2017 L2063 | T2017-G2038 CarbonylContact O-C 3.56Å; T2017-G2038 WeakPolarHBondContact O-CA 3.33Å; G2038-L2063 CarbonylContact C-O 3.56Å; G2038-L2063 PolarHBondContact N-O 3.09Å; G2038-L2063 CarbonylContact O-C 3.57Å; G2038-L2063 VanDerWaalsContact O-CA 3.26Å; G2038-L2063 WeakPolarHBondContact O-CA 3.36Å |
| 2039 | I | 89.9 | Confident | 90.2 | Very high | 72.8 Ų | 72.8 | 37.3 Ų | 37.3 | 37% | 0.373 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 143.4 | 170.8 | -55.9 | 176.7 | 0 | 0 | 0 | 107.3 | V2014 N2015 F2016 T2017 M2041 S2062 L2063 | V2014-I2039 HydrophobicContact CG1-CG2 4.18Å; N2015-I2039 WeakPolarHBondContact O-CG2 3.29Å; F2016-I2039 CarbonylContact C-O 3.54Å; F2016-I2039 VanDerWaalsContact CA-O 3.24Å; F2016-I2039 WeakPolarHBondContact CA-O 3.28Å; F2016-I2039 WeakPolarHBondContact CD2-O 3.17Å; T2017-I2039 PolarHBondContact N-O 2.77Å; T2017-I2039 PolarHBondContact O-N 3.12Å; T2017-I2039 WeakPolarHBondContact OG1-CB 3.29Å; T2017-I2039 WeakPolarHBondContact OG1-CG1 3.44Å; T2017-I2039 PolarHBondContact OG1-N 2.94Å; I2039-M2041 VanDerWaalsContact C-N 3.3Å; I2039-M2041 PolarHBondContact O-N 2.94Å; I2039-S2062 CarbonylContact C-O 3.54Å; I2039-S2062 VanDerWaalsContact C-O 3.24Å; I2039-S2062 WeakPolarHBondContact CA-O 3.29Å; I2039-L2063 HydrophobicContact CB-CD2 4.29Å; I2039-L2063 HydrophobicContact CG1-CD2 4.07Å; I2039-L2063 HydrophobicContact CG2-CD2 4.11Å |
| 2040 | G | 88.6 | Confident | 90.5 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 72.5 | 22.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N1991 S2062 | N1991-G2040 PolarHBondContact N-O 3.31Å; N1991-G2040 VanDerWaalsContact N-O 3.08Å; G2040-S2062 PolarHBondContact N-O 3.15Å |
| 2041 | M | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -73.8 | 162.7 | 168.2 | -67.8 | 175.8 | -61.4 | 0 | 0 | 110.6 | N1988 P1990 F2016 L2018 I2039 S2062 L2063 A2064 L2065 V2084 V2086 | N1988-M2041 PolarHBondContact OD1-O 2.81Å; P1990-M2041 WeakPolarHBondContact CA-O 3.37Å; F2016-M2041 HydrophobicContact CD2-CG 4.3Å; F2016-M2041 HydrophobicContact CE2-CG 3.76Å; L2018-M2041 HydrophobicContact CD2-CG 4.41Å; L2018-M2041 HydrophobicContact CD2-SD 3.75Å; I2039-M2041 VanDerWaalsContact C-N 3.3Å; I2039-M2041 PolarHBondContact O-N 2.94Å; M2041-S2062 PolarHBondContact N-O 3.18Å; M2041-S2062 WeakPolarHBondContact O-CA 3.34Å; M2041-S2062 WeakPolarHBondContact O-CB 3.27Å; M2041-L2063 WeakPolarHBondContact CE-O 3.43Å; M2041-A2064 VanDerWaalsContact CE-N 3.34Å; M2041-L2065 HydrophobicContact CB-CD1 4.12Å; M2041-L2065 HydrophobicContact CB-CD2 4.38Å; M2041-L2065 HydrophobicContact CB-CG 4.11Å; M2041-L2065 HydrophobicContact CE-CG 4.15Å; M2041-L2065 HydrophobicContact CG-CD1 4.21Å; M2041-L2065 HydrophobicContact CG-CG 4.41Å; M2041-L2065 HydrophobicContact SD-CB 4.44Å; M2041-L2065 HydrophobicContact SD-CD1 3.71Å; M2041-L2065 HydrophobicContact SD-CG 3.7Å; M2041-V2084 HydrophobicContact CG-CG1 4.43Å; M2041-V2084 HydrophobicContact SD-CG1 4.41Å; M2041-V2086 HydrophobicContact CG-CG2 4.45Å | ||
| 2042 | D | 88.6 | Confident | 90.6 | Very high | 23.6 Ų | 23.6 | 40.7 Ų | 40.7 | 13% | 0.126 | 21% | 0.21 | C | C | . | . | trans | -121 | 115 | 172.9 | -169.5 | -25.9 | 0 | 0 | 0 | 109.9 | N1988 P1990 E2044 Q2045 S2046 V2086 | N1988-D2042 PolarHBondContact ND2-OD1 3.03Å; N1988-D2042 WeakPolarHBondContact OD1-CA 3.22Å; P1990-D2042 HydrophobicContact CB-CB 4.24Å; P1990-D2042 HydrophobicContact CG-CB 4.01Å; P1990-D2042 WeakPolarHBondContact CG-OD2 3.44Å; D2042-E2044 PolarHBondContact O-N 3.19Å; D2042-E2044 PolarHBondContact OD1-N 3.24Å; D2042-E2044 VanDerWaalsContact OD1-N 3.1Å; D2042-Q2045 HydrophobicContact CB-CB 4.15Å; D2042-Q2045 PolarHBondContact O-N 3.17Å; D2042-Q2045 PolarHBondContact OD1-N 3.12Å; D2042-Q2045 WeakPolarHBondContact OD2-CB 3.38Å; D2042-Q2045 WeakPolarHBondContact OD2-CG 3.43Å; D2042-S2046 VanDerWaalsContact C-OG 3.32Å; D2042-S2046 WeakPolarHBondContact CA-OG 3.43Å; D2042-S2046 PolarHBondContact N-OG 3.12Å; D2042-S2046 VanDerWaalsContact N-OG 3.08Å; D2042-S2046 WeakPolarHBondContact O-CA 3.32Å; D2042-S2046 WeakPolarHBondContact O-CB 3.25Å; D2042-S2046 PolarHBondContact O-N 3.11Å; D2042-S2046 PolarHBondContact O-OG 3.19Å; D2042-V2086 HydrophobicContact CB-CG1 4.32Å | ||
| 2043 | V | 87.5 | Confident | 90.7 | Very high | 30.6 Ų | 30.6 | 45.6 Ų | 45.6 | 19% | 0.185 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -30.7 | -177 | 144.7 | 0 | 0 | 0 | 0 | 112.8 | N1988 I2057 G2060 S2061 L2065 | N1988-V2043 HydrophobicContact CB-CG1 4.39Å; N1988-V2043 PolarHBondContact OD1-N 3.43Å; V2043-I2057 HydrophobicContact CG1-CG2 4.21Å; V2043-I2057 HydrophobicContact CG2-CG2 4.25Å; V2043-G2060 VanDerWaalsContact CG2-C 3.46Å; V2043-S2061 VanDerWaalsContact CG2-C 3.43Å; V2043-S2061 VanDerWaalsContact CG2-N 3.33Å; V2043-L2065 HydrophobicContact CB-CD2 4.35Å; V2043-L2065 HydrophobicContact CG2-CD2 4.21Å |
| 2044 | E | 85.7 | Confident | 90.9 | Very high | 158.8 Ų | 158.8 | 47.4 Ų | 47.4 | 74% | 0.742 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -30.6 | -175.3 | -63.5 | -176.5 | -178.1 | 0 | 0 | 112.7 | D2042 | D2042-E2044 PolarHBondContact O-N 3.19Å; D2042-E2044 PolarHBondContact OD1-N 3.24Å; D2042-E2044 VanDerWaalsContact OD1-N 3.1Å |
| 2045 | Q | 87.4 | Confident | 91 | Very high | 110 Ų | 110 | 47.4 Ų | 47.4 | 51% | 0.514 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -14.2 | -170.3 | -60 | -64.5 | -40.9 | 0 | 0 | 114.1 | D2042 P2087 | D2042-Q2045 HydrophobicContact CB-CB 4.15Å; D2042-Q2045 PolarHBondContact O-N 3.17Å; D2042-Q2045 PolarHBondContact OD1-N 3.12Å; D2042-Q2045 WeakPolarHBondContact OD2-CB 3.38Å; D2042-Q2045 WeakPolarHBondContact OD2-CG 3.43Å; Q2045-P2087 HydrophobicContact CB-CG 3.72Å; Q2045-P2087 WeakPolarHBondContact O-CD 3.34Å; Q2045-P2087 VanDerWaalsContact O-CG 3.28Å; Q2045-P2087 WeakPolarHBondContact O-CG 3.33Å |
| 2046 | S | 91.6 | Very high | 91 | Very high | 8.8 Ų | 8.8 | 48.8 Ų | 48.8 | 6% | 0.062 | 26% | 0.255 | C | S | . | . | trans | -70.2 | 150.1 | 179 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | D2042 I2057 I2085 | D2042-S2046 VanDerWaalsContact C-OG 3.32Å; D2042-S2046 WeakPolarHBondContact CA-OG 3.43Å; D2042-S2046 PolarHBondContact N-OG 3.12Å; D2042-S2046 VanDerWaalsContact N-OG 3.08Å; D2042-S2046 WeakPolarHBondContact O-CA 3.32Å; D2042-S2046 WeakPolarHBondContact O-CB 3.25Å; D2042-S2046 PolarHBondContact O-N 3.11Å; D2042-S2046 PolarHBondContact O-OG 3.19Å; S2046-I2057 WeakPolarHBondContact O-CD1 3.27Å; S2046-I2085 CarbonylContact C-O 3.52Å; S2046-I2085 VanDerWaalsContact CA-O 3.24Å; S2046-I2085 WeakPolarHBondContact CA-O 3.31Å; S2046-I2085 WeakPolarHBondContact CB-O 3.49Å | ||
| 2047 | T | 92.5 | Very high | 90.9 | Very high | 60.8 Ų | 60.8 | 51 Ų | 51 | 37% | 0.373 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.5 | 169.2 | -40.3 | 0 | 0 | 0 | 0 | 109.6 | M2049 V2084 I2085 | T2047-M2049 HydrophobicContact CG2-CG 4.36Å; T2047-V2084 WeakPolarHBondContact O-CA 3.39Å; T2047-I2085 PolarHBondContact N-O 3.1Å; T2047-I2085 PolarHBondContact O-N 2.99Å; T2047-I2085 WeakPolarHBondContact OG1-CB 3.02Å |
| 2048 | V | 94.3 | Very high | 90.8 | Very high | 1.4 Ų | 1.4 | 52.2 Ų | 52.2 | 1% | 0.008 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 133.4 | 174 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | I2036 C2055 I2057 L2065 C2067 V2082 T2083 V2084 | I2036-V2048 HydrophobicContact CD1-CB 4.22Å; I2036-V2048 HydrophobicContact CD1-CG1 3.27Å; I2036-V2048 HydrophobicContact CD1-CG2 3.88Å; V2048-C2055 HydrophobicContact CB-CB 4.14Å; V2048-C2055 HydrophobicContact CG1-CB 3.83Å; V2048-C2055 PolarHBondContact O-N 2.96Å; V2048-I2057 HydrophobicContact CB-CG1 4.47Å; V2048-I2057 HydrophobicContact CG2-CD1 4.01Å; V2048-I2057 HydrophobicContact CG2-CG1 3.93Å; V2048-L2065 HydrophobicContact CG2-CD1 3.99Å; V2048-C2067 HydrophobicContact CB-CB 4.43Å; V2048-C2067 HydrophobicContact CG2-CB 4.48Å; V2048-V2082 HydrophobicContact CG1-CG1 4.36Å; V2048-T2083 CarbonylContact C-O 3.52Å; V2048-T2083 WeakPolarHBondContact CA-O 3.25Å; V2048-V2084 HydrophobicContact CG2-CG2 4.27Å |
| 2049 | M | 93.7 | Very high | 90.6 | Very high | 44.8 Ų | 44.8 | 53.1 Ų | 53.1 | 22% | 0.221 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134.7 | 173.4 | -60 | -179.6 | -18.3 | 0 | 0 | 111.2 | T2047 D2052 Q2053 V2082 T2083 I2085 | T2047-M2049 HydrophobicContact CG2-CG 4.36Å; M2049-D2052 HydrophobicContact CE-CB 4.4Å; M2049-D2052 VanDerWaalsContact CE-O 3.24Å; M2049-D2052 WeakPolarHBondContact CE-O 3.34Å; M2049-Q2053 CarbonylContact C-O 3.5Å; M2049-Q2053 VanDerWaalsContact CA-O 3.26Å; M2049-Q2053 WeakPolarHBondContact CA-O 3.29Å; M2049-V2082 CarbonylContact O-C 3.55Å; M2049-V2082 WeakPolarHBondContact O-CA 3.34Å; M2049-T2083 HydrophobicContact CE-CG2 3.89Å; M2049-T2083 PolarHBondContact N-O 3.02Å; M2049-T2083 PolarHBondContact O-N 3.09Å; M2049-I2085 HydrophobicContact CE-CD1 3.83Å; M2049-I2085 VanDerWaalsContact CE-CD1 3.47Å; M2049-I2085 HydrophobicContact CE-CG1 4.29Å; M2049-I2085 HydrophobicContact SD-CD1 4.34Å |
| 2050 | I | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 122.4 | 172.5 | -56.3 | -178.4 | 0 | 0 | 0 | 107.4 | I2021 V2034 D2052 Q2053 C2055 T2069 C2080 V2082 F2101 Y2103 | I2021-I2050 HydrophobicContact CD1-CD1 4.18Å; V2034-I2050 HydrophobicContact CG2-CD1 4.09Å; I2050-D2052 VanDerWaalsContact C-N 3.26Å; I2050-D2052 PolarHBondContact O-N 3.08Å; I2050-Q2053 PolarHBondContact N-O 3.19Å; I2050-Q2053 PolarHBondContact O-N 2.74Å; I2050-Q2053 VanDerWaalsContact O-N 3.08Å; I2050-C2055 HydrophobicContact CD1-CB 4.11Å; I2050-C2055 HydrophobicContact CG1-CB 4.06Å; I2050-T2069 HydrophobicContact CD1-CG2 4.09Å; I2050-C2080 HydrophobicContact CG2-CB 3.97Å; I2050-V2082 HydrophobicContact CG1-CG1 4.44Å; I2050-V2082 HydrophobicContact CG1-CG2 4.26Å; I2050-F2101 HydrophobicContact CD1-CG 4.49Å; I2050-F2101 HydrophobicContact CG2-CB 4.03Å; I2050-F2101 HydrophobicContact CG2-CD1 3.76Å; I2050-F2101 HydrophobicContact CG2-CG 4.08Å; I2050-Y2103 HydrophobicContact CG2-CE2 4.02Å |
| 2051 | C | 90 | Very high | 90.5 | Very high | 25 Ų | 25 | 50.3 Ų | 50.3 | 17% | 0.169 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 39.5 | -175.2 | -104.2 | 0 | 0 | 0 | 0 | 113.4 | Q2053 L2072 C2080 D2081 | C2051-Q2053 PolarHBondContact O-N 3.02Å; C2051-L2072 HydrophobicContact CB-CD2 4.43Å; C2051-C2080 HydrophobicContact CB-CB 3.73Å; C2051-C2080 WeakPolarHBondContact CB-SG 3.4Å; C2051-C2080 WeakPolarHBondContact SG-CB 3.32Å; C2051-C2080 CovalentContact SG-SG 2.02Å; C2051-C2080 PolarHBondContact SG-SG 3.13Å; C2051-D2081 PolarHBondContact N-O 3.1Å |
| 2052 | D | 88.5 | Confident | 90.4 | Very high | 123.6 Ų | 123.6 | 50.4 Ų | 50.4 | 66% | 0.661 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 14.1 | -176.5 | -51.6 | -44.3 | 0 | 0 | 0 | 114.5 | M2049 I2050 | M2049-D2052 HydrophobicContact CE-CB 4.4Å; M2049-D2052 VanDerWaalsContact CE-O 3.24Å; M2049-D2052 WeakPolarHBondContact CE-O 3.34Å; I2050-D2052 VanDerWaalsContact C-N 3.26Å; I2050-D2052 PolarHBondContact O-N 3.08Å |
| 2053 | Q | 91.5 | Very high | 90.5 | Very high | 102.6 Ų | 102.6 | 50 Ų | 50 | 48% | 0.479 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 140.9 | 170.2 | -63.6 | -61.3 | -55.8 | 0 | 0 | 109.4 | M2049 I2050 C2051 C2055 P2070 | M2049-Q2053 CarbonylContact C-O 3.5Å; M2049-Q2053 VanDerWaalsContact CA-O 3.26Å; M2049-Q2053 WeakPolarHBondContact CA-O 3.29Å; I2050-Q2053 PolarHBondContact N-O 3.19Å; I2050-Q2053 PolarHBondContact O-N 2.74Å; I2050-Q2053 VanDerWaalsContact O-N 3.08Å; C2051-Q2053 PolarHBondContact O-N 3.02Å; Q2053-C2055 PolarHBondContact O-N 3.06Å; Q2053-P2070 HydrophobicContact CB-CB 3.98Å; Q2053-P2070 HydrophobicContact CB-CG 3.57Å; Q2053-P2070 VanDerWaalsContact CB-CG 3.46Å; Q2053-P2070 HydrophobicContact CG-CG 4.46Å |
| 2054 | I | 93 | Very high | 90.7 | Very high | 114.8 Ų | 114.8 | 48.7 Ų | 48.7 | 59% | 0.589 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 129 | 178.3 | -63.7 | 172 | 0 | 0 | 0 | 108.7 | P2056 P2070 | I2054-P2056 WeakPolarHBondContact O-CD 3.27Å; I2054-P2070 WeakPolarHBondContact O-CB 3.4Å |
| 2055 | C | 93.7 | Very high | 91.1 | Very high | 1.2 Ų | 1.2 | 41.1 Ų | 41.1 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | trans | -99.4 | 102.1 | 168.8 | -171.1 | 0 | 0 | 0 | 0 | 107.4 | V2048 I2050 Q2053 I2057 C2067 V2068 | V2048-C2055 HydrophobicContact CB-CB 4.14Å; V2048-C2055 HydrophobicContact CG1-CB 3.83Å; V2048-C2055 PolarHBondContact O-N 2.96Å; I2050-C2055 HydrophobicContact CD1-CB 4.11Å; I2050-C2055 HydrophobicContact CG1-CB 4.06Å; Q2053-C2055 PolarHBondContact O-N 3.06Å; C2055-I2057 PolarHBondContact O-N 3.08Å; C2055-C2067 HydrophobicContact CB-CB 3.9Å; C2055-C2067 WeakPolarHBondContact CB-SG 3.34Å; C2055-C2067 WeakPolarHBondContact O-CB 3.39Å; C2055-C2067 VanDerWaalsContact SG-C 3.55Å; C2055-C2067 WeakPolarHBondContact SG-CB 3.29Å; C2055-C2067 CovalentContact SG-SG 2.04Å; C2055-C2067 PolarHBondContact SG-SG 2.79Å; C2055-V2068 PolarHBondContact SG-O 2.84Å | ||
| 2056 | P | 92.1 | Very high | 91.3 | Very high | 72.8 Ų | 72.8 | 38.4 Ų | 38.4 | 47% | 0.473 | 22% | 0.218 | S | C | . | . | trans | -60.6 | 123.9 | -174.9 | -24.7 | 36.1 | 0 | 0 | 0 | 111.3 | I2054 V2058 C2067 V2068 | I2054-P2056 WeakPolarHBondContact O-CD 3.27Å; P2056-V2058 PolarHBondContact O-N 3.25Å; P2056-C2067 CarbonylContact O-C 3.56Å; P2056-C2067 WeakPolarHBondContact O-CA 3.36Å; P2056-C2067 VanDerWaalsContact O-CB 3.26Å; P2056-C2067 WeakPolarHBondContact O-CB 3.38Å; P2056-V2068 VanDerWaalsContact CD-O 3.25Å; P2056-V2068 WeakPolarHBondContact CD-O 3.34Å; P2056-V2068 PolarHBondContact O-N 3.09Å | ||
| 2057 | I | 91.6 | Very high | 91.3 | Very high | 47.8 Ų | 47.8 | 38 Ų | 38 | 25% | 0.245 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 126.7 | 177.3 | -62.1 | 170.8 | 0 | 0 | 0 | 108.5 | V2043 S2046 V2048 C2055 G2059 L2065 K2066 C2067 | V2043-I2057 HydrophobicContact CG1-CG2 4.21Å; V2043-I2057 HydrophobicContact CG2-CG2 4.25Å; S2046-I2057 WeakPolarHBondContact O-CD1 3.27Å; V2048-I2057 HydrophobicContact CB-CG1 4.47Å; V2048-I2057 HydrophobicContact CG2-CD1 4.01Å; V2048-I2057 HydrophobicContact CG2-CG1 3.93Å; C2055-I2057 PolarHBondContact O-N 3.08Å; I2057-G2059 WeakPolarHBondContact CG2-O 3.5Å; I2057-L2065 HydrophobicContact CD1-CD1 4.14Å; I2057-L2065 HydrophobicContact CD1-CD2 4.28Å; I2057-L2065 HydrophobicContact CG2-CD2 4.36Å; I2057-K2066 CarbonylContact C-O 3.45Å; I2057-K2066 WeakPolarHBondContact CA-O 3.33Å; I2057-C2067 HydrophobicContact CG1-CB 4.36Å |
| 2058 | V | 89.5 | Confident | 91.3 | Very high | 91.8 Ų | 91.8 | 37.1 Ų | 37.1 | 56% | 0.556 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | -6.7 | 177.9 | -66.4 | 0 | 0 | 0 | 0 | 112.9 | L2033 P2056 K2066 V2068 | L2033-V2058 HydrophobicContact CD1-CG2 3.34Å; L2033-V2058 VanDerWaalsContact CD1-CG2 3.45Å; P2056-V2058 PolarHBondContact O-N 3.25Å; V2058-K2066 HydrophobicContact CG2-CB 4.2Å; V2058-K2066 WeakPolarHBondContact CG2-O 3.33Å; V2058-K2066 PolarHBondContact N-O 2.85Å; V2058-V2068 HydrophobicContact CB-CG2 4.4Å; V2058-V2068 HydrophobicContact CG1-CB 4.38Å; V2058-V2068 HydrophobicContact CG1-CG2 3.63Å; V2058-V2068 VanDerWaalsContact CG1-CG2 3.47Å; V2058-V2068 HydrophobicContact CG2-CG2 4.33Å |
| 2059 | G | 87.6 | Confident | 91.2 | Very high | 23.6 Ų | 23.6 | 37.2 Ų | 37.2 | 24% | 0.243 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.5 | -167.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I2057 K2066 | I2057-G2059 WeakPolarHBondContact CG2-O 3.5Å; G2059-K2066 PolarHBondContact N-O 3.32Å; G2059-K2066 WeakPolarHBondContact O-CB 3.2Å; G2059-K2066 PolarHBondContact O-N 2.98Å |
| 2060 | G | 87.2 | Confident | 91.1 | Very high | 15 Ų | 15 | 36.2 Ų | 36.2 | 16% | 0.155 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 130.7 | -151.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1987 V2043 A2064 | L1987-G2060 WeakPolarHBondContact CD1-O 3.22Å; L1987-G2060 WeakPolarHBondContact CG-O 3.28Å; V2043-G2060 VanDerWaalsContact CG2-C 3.46Å; G2060-A2064 CarbonylContact C-O 3.56Å; G2060-A2064 WeakPolarHBondContact CA-O 3.2Å |
| 2061 | S | 89.8 | Confident | 90.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -148.9 | 178.6 | -178.9 | 70.9 | 0 | 0 | 0 | 0 | 110.6 | L1942 L1987 V2043 L2063 A2064 | L1942-S2061 WeakPolarHBondContact O-CB 3.41Å; L1942-S2061 PolarHBondContact O-OG 2.93Å; L1987-S2061 VanDerWaalsContact O-CA 3.3Å; L1987-S2061 WeakPolarHBondContact O-CA 3.31Å; L1987-S2061 VanDerWaalsContact O-CB 3.27Å; L1987-S2061 WeakPolarHBondContact O-CB 3.31Å; V2043-S2061 VanDerWaalsContact CG2-C 3.43Å; V2043-S2061 VanDerWaalsContact CG2-N 3.33Å; S2061-L2063 PolarHBondContact O-N 2.91Å; S2061-L2063 VanDerWaalsContact O-N 3.1Å; S2061-L2063 PolarHBondContact OG-N 3.08Å; S2061-L2063 VanDerWaalsContact OG-N 3.08Å; S2061-A2064 PolarHBondContact N-O 2.91Å; S2061-A2064 CarbonylContact O-C 3.58Å; S2061-A2064 PolarHBondContact O-N 2.96Å; S2061-A2064 PolarHBondContact OG-N 3.17Å; S2061-A2064 VanDerWaalsContact OG-N 3.11Å | ||
| 2062 | S | 89.4 | Confident | 90.7 | Very high | 1.2 Ų | 1.2 | 42.2 Ų | 42.2 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -66.6 | -7 | 170.9 | 62.8 | 0 | 0 | 0 | 0 | 114.3 | L1987 L1989 I2039 G2040 M2041 | L1987-S2062 PolarHBondContact O-N 2.97Å; L1987-S2062 VanDerWaalsContact O-N 3.16Å; L1989-S2062 VanDerWaalsContact C-CB 3.47Å; L1989-S2062 VanDerWaalsContact N-CB 3.31Å; L1989-S2062 PolarHBondContact N-OG 3.04Å; L1989-S2062 WeakPolarHBondContact O-CB 3.35Å; L1989-S2062 PolarHBondContact O-OG 2.96Å; I2039-S2062 CarbonylContact C-O 3.54Å; I2039-S2062 VanDerWaalsContact C-O 3.24Å; I2039-S2062 WeakPolarHBondContact CA-O 3.29Å; G2040-S2062 PolarHBondContact N-O 3.15Å; M2041-S2062 PolarHBondContact N-O 3.18Å; M2041-S2062 WeakPolarHBondContact O-CA 3.34Å; M2041-S2062 WeakPolarHBondContact O-CB 3.27Å |
| 2063 | L | 91.3 | Very high | 90.2 | Very high | 15.8 Ų | 15.8 | 41.9 Ų | 41.9 | 8% | 0.083 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -105.9 | -21.7 | 177.1 | -58.8 | -179.9 | 0 | 0 | 0 | 113.5 | S1935 L1942 Q2037 G2038 I2039 M2041 S2061 | S1935-L2063 WeakPolarHBondContact OG-CD1 3.23Å; L1942-L2063 HydrophobicContact CB-CB 3.9Å; L1942-L2063 HydrophobicContact CB-CD1 4.21Å; Q2037-L2063 WeakPolarHBondContact CA-O 3.44Å; G2038-L2063 CarbonylContact C-O 3.56Å; G2038-L2063 PolarHBondContact N-O 3.09Å; G2038-L2063 CarbonylContact O-C 3.57Å; G2038-L2063 VanDerWaalsContact O-CA 3.26Å; G2038-L2063 WeakPolarHBondContact O-CA 3.36Å; I2039-L2063 HydrophobicContact CB-CD2 4.29Å; I2039-L2063 HydrophobicContact CG1-CD2 4.07Å; I2039-L2063 HydrophobicContact CG2-CD2 4.11Å; M2041-L2063 WeakPolarHBondContact CE-O 3.43Å; S2061-L2063 PolarHBondContact O-N 2.91Å; S2061-L2063 VanDerWaalsContact O-N 3.1Å; S2061-L2063 PolarHBondContact OG-N 3.08Å; S2061-L2063 VanDerWaalsContact OG-N 3.08Å |
| 2064 | A | 91.6 | Very high | 89.4 | Confident | 2.2 Ų | 2.2 | 38.9 Ų | 38.9 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 120.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1942 E2035 I2036 Q2037 M2041 G2060 S2061 | L1942-A2064 HydrophobicContact CB-CB 4.5Å; L1942-A2064 HydrophobicContact CD1-CB 4.34Å; E2035-A2064 HydrophobicContact CG-CB 3.97Å; I2036-A2064 CarbonylContact O-C 3.54Å; I2036-A2064 VanDerWaalsContact O-CA 3.27Å; I2036-A2064 WeakPolarHBondContact O-CA 3.26Å; Q2037-A2064 HydrophobicContact CG-CB 4.32Å; M2041-A2064 VanDerWaalsContact CE-N 3.34Å; G2060-A2064 CarbonylContact C-O 3.56Å; G2060-A2064 WeakPolarHBondContact CA-O 3.2Å; S2061-A2064 PolarHBondContact N-O 2.91Å; S2061-A2064 CarbonylContact O-C 3.58Å; S2061-A2064 PolarHBondContact O-N 2.96Å; S2061-A2064 PolarHBondContact OG-N 3.17Å; S2061-A2064 VanDerWaalsContact OG-N 3.11Å |
| 2065 | L | 92.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 136.1 | 174.1 | -66.2 | 176.7 | 0 | 0 | 0 | 110.6 | E2035 I2036 M2041 V2043 V2048 I2057 V2084 | E2035-L2065 CarbonylContact C-O 3.56Å; E2035-L2065 WeakPolarHBondContact CA-O 3.37Å; I2036-L2065 PolarHBondContact N-O 3.18Å; I2036-L2065 PolarHBondContact O-N 2.92Å; M2041-L2065 HydrophobicContact CB-CD1 4.12Å; M2041-L2065 HydrophobicContact CB-CD2 4.38Å; M2041-L2065 HydrophobicContact CB-CG 4.11Å; M2041-L2065 HydrophobicContact CE-CG 4.15Å; M2041-L2065 HydrophobicContact CG-CD1 4.21Å; M2041-L2065 HydrophobicContact CG-CG 4.41Å; M2041-L2065 HydrophobicContact SD-CB 4.44Å; M2041-L2065 HydrophobicContact SD-CD1 3.71Å; M2041-L2065 HydrophobicContact SD-CG 3.7Å; V2043-L2065 HydrophobicContact CB-CD2 4.35Å; V2043-L2065 HydrophobicContact CG2-CD2 4.21Å; V2048-L2065 HydrophobicContact CG2-CD1 3.99Å; I2057-L2065 HydrophobicContact CD1-CD1 4.14Å; I2057-L2065 HydrophobicContact CD1-CD2 4.28Å; I2057-L2065 HydrophobicContact CG2-CD2 4.36Å; L2065-V2084 HydrophobicContact CD1-CG1 3.88Å |
| 2066 | K | 91.9 | Very high | 87.9 | Confident | 52.8 Ų | 52.8 | 46.7 Ų | 46.7 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 126.1 | 173.6 | -63.9 | -178.3 | 178.8 | 177.9 | 0 | 109.5 | G1940 L2033 V2034 E2035 I2057 V2058 G2059 | G1940-K2066 PolarHBondContact O-NZ 2.86Å; G1940-K2066 VanDerWaalsContact O-NZ 3.13Å; L2033-K2066 HydrophobicContact CD1-CB 4.09Å; L2033-K2066 HydrophobicContact CD2-CD 4.33Å; L2033-K2066 HydrophobicContact CG-CB 4.42Å; V2034-K2066 CarbonylContact O-C 3.54Å; V2034-K2066 VanDerWaalsContact O-CA 3.29Å; V2034-K2066 WeakPolarHBondContact O-CA 3.35Å; E2035-K2066 HydrophobicContact CB-CG 4.33Å; E2035-K2066 HydrophobicContact CG-CG 4.24Å; E2035-K2066 WeakPolarHBondContact OE2-CE 3.34Å; E2035-K2066 IonicContact OE2-NZ 3.57Å; I2057-K2066 CarbonylContact C-O 3.45Å; I2057-K2066 WeakPolarHBondContact CA-O 3.33Å; V2058-K2066 HydrophobicContact CG2-CB 4.2Å; V2058-K2066 WeakPolarHBondContact CG2-O 3.33Å; V2058-K2066 PolarHBondContact N-O 2.85Å; G2059-K2066 PolarHBondContact N-O 3.32Å; G2059-K2066 WeakPolarHBondContact O-CB 3.2Å; G2059-K2066 PolarHBondContact O-N 2.98Å |
| 2067 | C | 93.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 160 | 178.9 | 77.6 | 0 | 0 | 0 | 0 | 112.3 | V2034 V2048 C2055 P2056 I2057 | V2034-C2067 WeakPolarHBondContact CG2-O 3.32Å; V2034-C2067 VanDerWaalsContact CG2-SG 3.54Å; V2034-C2067 WeakPolarHBondContact CG2-SG 3.36Å; V2034-C2067 PolarHBondContact N-O 2.94Å; V2034-C2067 PolarHBondContact O-N 3.08Å; V2048-C2067 HydrophobicContact CB-CB 4.43Å; V2048-C2067 HydrophobicContact CG2-CB 4.48Å; C2055-C2067 HydrophobicContact CB-CB 3.9Å; C2055-C2067 WeakPolarHBondContact CB-SG 3.34Å; C2055-C2067 WeakPolarHBondContact O-CB 3.39Å; C2055-C2067 VanDerWaalsContact SG-C 3.55Å; C2055-C2067 WeakPolarHBondContact SG-CB 3.29Å; C2055-C2067 CovalentContact SG-SG 2.04Å; C2055-C2067 PolarHBondContact SG-SG 2.79Å; P2056-C2067 CarbonylContact O-C 3.56Å; P2056-C2067 WeakPolarHBondContact O-CA 3.36Å; P2056-C2067 VanDerWaalsContact O-CB 3.26Å; P2056-C2067 WeakPolarHBondContact O-CB 3.38Å; I2057-C2067 HydrophobicContact CG1-CB 4.36Å |
| 2068 | V | 92.1 | Very high | 87.5 | Confident | 43.6 Ų | 43.6 | 50.3 Ų | 50.3 | 26% | 0.264 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.4 | 179 | 178.4 | 0 | 0 | 0 | 0 | 110.3 | G2031 Q2032 L2033 C2055 P2056 V2058 | G2031-V2068 VanDerWaalsContact CA-CG1 3.46Å; Q2032-V2068 CarbonylContact O-C 3.5Å; Q2032-V2068 WeakPolarHBondContact O-CA 3.36Å; L2033-V2068 HydrophobicContact CD1-CG2 4.41Å; C2055-V2068 PolarHBondContact SG-O 2.84Å; P2056-V2068 VanDerWaalsContact CD-O 3.25Å; P2056-V2068 WeakPolarHBondContact CD-O 3.34Å; P2056-V2068 PolarHBondContact O-N 3.09Å; V2058-V2068 HydrophobicContact CB-CG2 4.4Å; V2058-V2068 HydrophobicContact CG1-CB 4.38Å; V2058-V2068 HydrophobicContact CG1-CG2 3.63Å; V2058-V2068 VanDerWaalsContact CG1-CG2 3.47Å; V2058-V2068 HydrophobicContact CG2-CG2 4.33Å |
| 2069 | T | 92.1 | Very high | 87.7 | Confident | 3.6 Ų | 3.6 | 51 Ų | 51 | 2% | 0.022 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 133.7 | -178.2 | 55.3 | 0 | 0 | 0 | 0 | 111.4 | G2030 G2031 Q2032 V2034 I2050 F2101 | G2030-T2069 CarbonylContact C-O 3.38Å; G2030-T2069 VanDerWaalsContact CA-O 3.28Å; G2030-T2069 WeakPolarHBondContact CA-O 3.39Å; G2031-T2069 PolarHBondContact N-O 2.95Å; G2031-T2069 PolarHBondContact N-OG1 2.91Å; Q2032-T2069 HydrophobicContact CB-CG2 4.27Å; Q2032-T2069 VanDerWaalsContact CB-OG1 3.27Å; Q2032-T2069 WeakPolarHBondContact CB-OG1 3.4Å; Q2032-T2069 HydrophobicContact CG-CG2 4.47Å; Q2032-T2069 PolarHBondContact N-OG1 2.98Å; Q2032-T2069 VanDerWaalsContact N-OG1 3.12Å; Q2032-T2069 PolarHBondContact O-N 3.2Å; Q2032-T2069 PolarHBondContact O-OG1 2.96Å; Q2032-T2069 VanDerWaalsContact O-OG1 3.11Å; V2034-T2069 HydrophobicContact CB-CG2 4.5Å; V2034-T2069 HydrophobicContact CG1-CG2 3.65Å; V2034-T2069 HydrophobicContact CG2-CG2 4.07Å; I2050-T2069 HydrophobicContact CD1-CG2 4.09Å; T2069-F2101 HydrophobicContact CG2-CE1 4.11Å; T2069-F2101 HydrophobicContact CG2-CE2 4.06Å; T2069-F2101 HydrophobicContact CG2-CZ 3.63Å |
| 2070 | P | 91.6 | Very high | 87.9 | Confident | 21.8 Ų | 21.8 | 50.1 Ų | 50.1 | 14% | 0.142 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -71.6 | 156.9 | 176.6 | 26.8 | -32.7 | 0 | 0 | 0 | 111.9 | G2030 Q2053 I2054 Y2103 | G2030-P2070 WeakPolarHBondContact CA-O 3.19Å; Q2053-P2070 HydrophobicContact CB-CB 3.98Å; Q2053-P2070 HydrophobicContact CB-CG 3.57Å; Q2053-P2070 VanDerWaalsContact CB-CG 3.46Å; Q2053-P2070 HydrophobicContact CG-CG 4.46Å; I2054-P2070 WeakPolarHBondContact O-CB 3.4Å; P2070-Y2103 VanDerWaalsContact CD-OH 3.29Å; P2070-Y2103 WeakPolarHBondContact CD-OH 3.31Å; P2070-Y2103 WeakPolarHBondContact CG-OH 3.41Å; P2070-Y2103 WeakPolarHBondContact O-CE1 3.31Å; P2070-Y2103 PolarHBondContact O-OH 3.27Å |
| 2071 | K | 88.3 | Confident | 88.2 | Confident | 118.2 Ų | 118.2 | 51.8 Ų | 51.8 | 51% | 0.514 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 135.4 | 169.7 | 176.6 | 167 | 179.8 | 158.8 | 0 | 110.2 | E2029 | E2029-K2071 VanDerWaalsContact CD-NZ 3.29Å; E2029-K2071 WeakPolarHBondContact O-CB 3.34Å; E2029-K2071 VanDerWaalsContact OE1-CE 3.26Å; E2029-K2071 WeakPolarHBondContact OE1-CE 3.37Å; E2029-K2071 IonicContact OE1-NZ 3.2Å; E2029-K2071 PolarHBondContact OE1-NZ 3.22Å; E2029-K2071 VanDerWaalsContact OE1-NZ 3.13Å; E2029-K2071 WeakPolarHBondContact OE2-CE 3.34Å; E2029-K2071 IonicContact OE2-NZ 3.11Å; E2029-K2071 PolarHBondContact OE2-NZ 2.84Å |
| 2072 | L | 85.9 | Confident | 88.4 | Confident | 33.6 Ų | 33.6 | 51.8 Ų | 51.8 | 18% | 0.176 | 28% | 0.275 | C | S | . | . | trans | -125.3 | 114.9 | 175.7 | -171.6 | 69.5 | 0 | 0 | 0 | 110.3 | T2028 C2051 T2074 K2078 Y2103 | T2028-L2072 WeakPolarHBondContact CB-O 3.25Å; T2028-L2072 CarbonylContact O-C 3.44Å; T2028-L2072 PolarHBondContact O-N 3.03Å; T2028-L2072 VanDerWaalsContact O-O 3.12Å; C2051-L2072 HydrophobicContact CB-CD2 4.43Å; L2072-T2074 VanDerWaalsContact C-N 3.3Å; L2072-T2074 HydrophobicContact CD2-CG2 3.82Å; L2072-T2074 HydrophobicContact CG-CG2 3.92Å; L2072-T2074 PolarHBondContact O-N 2.77Å; L2072-K2078 HydrophobicContact CD2-CB 4.14Å; L2072-K2078 HydrophobicContact CD2-CD 4.12Å; L2072-K2078 HydrophobicContact CD2-CG 4.07Å; L2072-Y2103 HydrophobicContact CB-CD1 4.29Å; L2072-Y2103 HydrophobicContact CB-CD2 4.34Å; L2072-Y2103 HydrophobicContact CB-CE1 4.28Å; L2072-Y2103 HydrophobicContact CB-CE2 4.33Å; L2072-Y2103 HydrophobicContact CB-CG 4.32Å; L2072-Y2103 HydrophobicContact CD2-CD2 3.56Å; L2072-Y2103 VanDerWaalsContact CD2-CD2 3.49Å; L2072-Y2103 HydrophobicContact CD2-CE2 4.08Å; L2072-Y2103 HydrophobicContact CD2-CG 3.91Å; L2072-Y2103 HydrophobicContact CG-CD2 4.48Å | ||
| 2073 | S | 78.3 | Confident | 88.6 | Confident | 118.2 Ų | 118.2 | 52.1 Ų | 52.1 | 83% | 0.827 | 28% | 0.277 | S | S | * | . | trans | -77.4 | 79.7 | 177.1 | 1.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2074 | T | 75.5 | Confident | 88.8 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 24% | 0.239 | 27% | 0.273 | C | S | . | . | trans | -127.6 | 145.4 | 173.5 | 142.7 | 0 | 0 | 0 | 0 | 110.6 | T2028 L2072 D2076 K2078 | T2028-T2074 HydrophobicContact CG2-CG2 3.7Å; L2072-T2074 VanDerWaalsContact C-N 3.3Å; L2072-T2074 HydrophobicContact CD2-CG2 3.82Å; L2072-T2074 HydrophobicContact CG-CG2 3.92Å; L2072-T2074 PolarHBondContact O-N 2.77Å; T2074-D2076 VanDerWaalsContact C-N 3.34Å; T2074-D2076 WeakPolarHBondContact CG2-O 3.36Å; T2074-D2076 PolarHBondContact OG1-N 2.92Å; T2074-D2076 PolarHBondContact OG1-O 3.02Å; T2074-D2076 VanDerWaalsContact OG1-O 3.08Å; T2074-K2078 HydrophobicContact CG2-CB 4.27Å | ||
| 2075 | L | 74.4 | Confident | 88.8 | Confident | 155 Ų | 155 | 53 Ų | 53 | 81% | 0.812 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -93.7 | -10.1 | 174.2 | -69.2 | 168.6 | 0 | 0 | 0 | 112.5 | ||
| 2076 | D | 79.7 | Confident | 88.6 | Confident | 124 Ų | 124 | 53.1 Ų | 53.1 | 66% | 0.663 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -123.4 | 162.7 | -177.7 | -63.8 | -50.1 | 0 | 0 | 0 | 111.3 | T2074 K2078 | T2074-D2076 VanDerWaalsContact C-N 3.34Å; T2074-D2076 WeakPolarHBondContact CG2-O 3.36Å; T2074-D2076 PolarHBondContact OG1-N 2.92Å; T2074-D2076 PolarHBondContact OG1-O 3.02Å; T2074-D2076 VanDerWaalsContact OG1-O 3.08Å; D2076-K2078 PolarHBondContact O-N 2.96Å |
| 2077 | I | 87 | Confident | 88.1 | Confident | 92.6 Ų | 92.6 | 53.2 Ų | 53.2 | 48% | 0.475 | 29% | 0.287 | S | S | . | . | trans | -58.9 | 130.6 | 172.9 | -63.1 | 174.4 | 0 | 0 | 0 | 110.1 | Q2102 Y2103 N2104 | I2077-Q2102 HydrophobicContact CG2-CG 3.62Å; I2077-Q2102 VanDerWaalsContact CG2-NE2 3.3Å; I2077-Y2103 CarbonylContact C-O 3.44Å; I2077-Y2103 VanDerWaalsContact CA-O 3.31Å; I2077-Y2103 WeakPolarHBondContact CA-O 3.27Å; I2077-N2104 HydrophobicContact CG1-CB 4.41Å; I2077-N2104 WeakPolarHBondContact CG1-OD1 3.27Å | ||
| 2078 | K | 89.3 | Confident | 87.2 | Confident | 103.4 Ų | 103.4 | 55.5 Ų | 55.5 | 45% | 0.45 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 122.6 | -179.9 | -175.4 | 82.5 | 176.1 | -176.4 | 0 | 111.9 | L2072 T2074 D2076 Q2102 Y2103 | L2072-K2078 HydrophobicContact CD2-CB 4.14Å; L2072-K2078 HydrophobicContact CD2-CD 4.12Å; L2072-K2078 HydrophobicContact CD2-CG 4.07Å; T2074-K2078 HydrophobicContact CG2-CB 4.27Å; D2076-K2078 PolarHBondContact O-N 2.96Å; K2078-Q2102 CarbonylContact O-C 3.49Å; K2078-Q2102 VanDerWaalsContact O-CA 3.3Å; K2078-Q2102 WeakPolarHBondContact O-CA 3.43Å; K2078-Y2103 PolarHBondContact N-O 2.9Å; K2078-Y2103 PolarHBondContact O-N 2.97Å |
| 2079 | I | 92.1 | Very high | 86.2 | Confident | 108 Ų | 108 | 61.6 Ų | 61.6 | 55% | 0.554 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 131.8 | 173.8 | -58.6 | 171.1 | 0 | 0 | 0 | 109.2 | G2099 F2101 Q2102 | I2079-G2099 VanDerWaalsContact CG2-CA 3.47Å; I2079-F2101 CarbonylContact C-O 3.51Å; I2079-Q2102 HydrophobicContact CG1-CB 4.45Å; I2079-Q2102 HydrophobicContact CG1-CG 4.26Å |
| 2080 | C | 92.4 | Very high | 85.2 | Confident | 3.2 Ų | 3.2 | 68.6 Ų | 68.6 | 2% | 0.022 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 142.9 | -171.3 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | I2050 C2051 G2099 A2100 F2101 Y2103 | I2050-C2080 HydrophobicContact CG2-CB 3.97Å; C2051-C2080 HydrophobicContact CB-CB 3.73Å; C2051-C2080 WeakPolarHBondContact CB-SG 3.4Å; C2051-C2080 WeakPolarHBondContact SG-CB 3.32Å; C2051-C2080 CovalentContact SG-SG 2.02Å; C2051-C2080 PolarHBondContact SG-SG 3.13Å; C2080-G2099 CarbonylContact O-C 3.54Å; C2080-G2099 VanDerWaalsContact O-C 3.3Å; C2080-G2099 WeakPolarHBondContact O-CA 3.36Å; C2080-A2100 PolarHBondContact O-N 3.06Å; C2080-F2101 WeakPolarHBondContact CA-O 3.14Å; C2080-F2101 HydrophobicContact CB-CB 4.49Å; C2080-F2101 WeakPolarHBondContact CB-O 3.22Å; C2080-F2101 PolarHBondContact N-O 3.06Å; C2080-F2101 PolarHBondContact O-N 3.05Å; C2080-F2101 VanDerWaalsContact O-N 3.12Å; C2080-Y2103 VanDerWaalsContact SG-CD2 3.57Å |
| 2081 | D | 93.7 | Very high | 84.4 | Confident | 52.2 Ų | 52.2 | 73.2 Ų | 73.2 | 28% | 0.279 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 148.5 | 164.4 | -66.6 | -17.2 | 0 | 0 | 0 | 110.5 | C2051 K2096 L2097 I2098 G2099 | C2051-D2081 PolarHBondContact N-O 3.1Å; D2081-K2096 HydrophobicContact CB-CD 3.89Å; D2081-K2096 HydrophobicContact CB-CG 4.05Å; D2081-K2096 VanDerWaalsContact OD2-CD 3.29Å; D2081-K2096 WeakPolarHBondContact OD2-CD 3.35Å; D2081-K2096 WeakPolarHBondContact OD2-CE 3.26Å; D2081-K2096 IonicContact OD2-NZ 2.93Å; D2081-K2096 PolarHBondContact OD2-NZ 3.24Å; D2081-L2097 WeakPolarHBondContact CA-O 3.33Å; D2081-I2098 VanDerWaalsContact OD1-CA 3.31Å; D2081-I2098 WeakPolarHBondContact OD1-CA 3.34Å; D2081-G2099 PolarHBondContact OD1-N 3.11Å |
| 2082 | V | 94.3 | Very high | 84.1 | Confident | 0.2 Ų | 0.2 | 71.8 Ų | 71.8 | 0% | 0.001 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 120.6 | 171.5 | -178.2 | 0 | 0 | 0 | 0 | 108.6 | I2021 I2036 V2048 M2049 I2050 K2096 L2097 A2100 F2101 | I2021-V2082 HydrophobicContact CD1-CG1 4.25Å; I2021-V2082 HydrophobicContact CD1-CG2 3.72Å; I2021-V2082 HydrophobicContact CG2-CG2 4.31Å; I2036-V2082 HydrophobicContact CD1-CG1 3.98Å; I2036-V2082 HydrophobicContact CG1-CG1 4.35Å; V2048-V2082 HydrophobicContact CG1-CG1 4.36Å; M2049-V2082 CarbonylContact O-C 3.55Å; M2049-V2082 WeakPolarHBondContact O-CA 3.34Å; I2050-V2082 HydrophobicContact CG1-CG1 4.44Å; I2050-V2082 HydrophobicContact CG1-CG2 4.26Å; V2082-K2096 CarbonylContact O-C 3.46Å; V2082-K2096 WeakPolarHBondContact O-CA 3.27Å; V2082-L2097 HydrophobicContact CB-CB 4.35Å; V2082-L2097 PolarHBondContact N-O 3.04Å; V2082-L2097 PolarHBondContact O-N 3.13Å; V2082-A2100 HydrophobicContact CB-CB 4.41Å; V2082-A2100 HydrophobicContact CG2-CB 3.99Å; V2082-F2101 HydrophobicContact CG2-CB 3.92Å |
| 2083 | T | 94.3 | Very high | 84.1 | Confident | 6.8 Ų | 6.8 | 72.8 Ų | 72.8 | 4% | 0.042 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.4 | -178.8 | -55.9 | 0 | 0 | 0 | 0 | 109.7 | V2048 M2049 I2085 Q2094 K2096 | V2048-T2083 CarbonylContact C-O 3.52Å; V2048-T2083 WeakPolarHBondContact CA-O 3.25Å; M2049-T2083 HydrophobicContact CE-CG2 3.89Å; M2049-T2083 PolarHBondContact N-O 3.02Å; M2049-T2083 PolarHBondContact O-N 3.09Å; T2083-I2085 HydrophobicContact CG2-CD1 4.49Å; T2083-I2085 HydrophobicContact CG2-CG1 4.14Å; T2083-Q2094 HydrophobicContact CG2-CG 3.76Å; T2083-Q2094 VanDerWaalsContact CG2-NE2 3.26Å; T2083-K2096 VanDerWaalsContact OG1-CE 3.27Å; T2083-K2096 WeakPolarHBondContact OG1-CE 3.4Å |
| 2084 | V | 93.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129.4 | 170.2 | -174 | 0 | 0 | 0 | 0 | 109.1 | F2016 L2018 I2036 M2041 T2047 V2048 L2065 V2086 Q2094 K2095 | F2016-V2084 HydrophobicContact CZ-CB 4.31Å; F2016-V2084 HydrophobicContact CZ-CG1 4.33Å; L2018-V2084 HydrophobicContact CD1-CB 3.64Å; L2018-V2084 HydrophobicContact CD1-CG2 3.74Å; L2018-V2084 HydrophobicContact CD2-CB 3.82Å; L2018-V2084 HydrophobicContact CD2-CG1 4.31Å; L2018-V2084 HydrophobicContact CD2-CG2 3.8Å; L2018-V2084 HydrophobicContact CG-CB 4.3Å; L2018-V2084 HydrophobicContact CG-CG2 4.28Å; I2036-V2084 HydrophobicContact CD1-CG2 4.43Å; I2036-V2084 HydrophobicContact CG2-CG2 3.9Å; M2041-V2084 HydrophobicContact CG-CG1 4.43Å; M2041-V2084 HydrophobicContact SD-CG1 4.41Å; T2047-V2084 WeakPolarHBondContact O-CA 3.39Å; V2048-V2084 HydrophobicContact CG2-CG2 4.27Å; L2065-V2084 HydrophobicContact CD1-CG1 3.88Å; V2084-V2086 HydrophobicContact CG1-CG2 4.33Å; V2084-Q2094 WeakPolarHBondContact O-CA 3.49Å; V2084-K2095 PolarHBondContact N-O 3.13Å; V2084-K2095 PolarHBondContact O-N 2.98Å; V2084-K2095 VanDerWaalsContact O-N 3.12Å |
| 2085 | I | 92.2 | Very high | 85.5 | Confident | 37 Ų | 37 | 75.6 Ų | 75.6 | 19% | 0.19 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122.3 | -179.8 | -58 | 174.8 | 0 | 0 | 0 | 107.4 | S2046 T2047 M2049 T2083 V2092 L2093 Q2094 | S2046-I2085 CarbonylContact C-O 3.52Å; S2046-I2085 VanDerWaalsContact CA-O 3.24Å; S2046-I2085 WeakPolarHBondContact CA-O 3.31Å; S2046-I2085 WeakPolarHBondContact CB-O 3.49Å; T2047-I2085 PolarHBondContact N-O 3.1Å; T2047-I2085 PolarHBondContact O-N 2.99Å; T2047-I2085 WeakPolarHBondContact OG1-CB 3.02Å; M2049-I2085 HydrophobicContact CE-CD1 3.83Å; M2049-I2085 VanDerWaalsContact CE-CD1 3.47Å; M2049-I2085 HydrophobicContact CE-CG1 4.29Å; M2049-I2085 HydrophobicContact SD-CD1 4.34Å; T2083-I2085 HydrophobicContact CG2-CD1 4.49Å; T2083-I2085 HydrophobicContact CG2-CG1 4.14Å; I2085-V2092 HydrophobicContact CG2-CG1 3.21Å; I2085-L2093 WeakPolarHBondContact CA-O 3.16Å; I2085-Q2094 HydrophobicContact CG1-CB 4.34Å; I2085-Q2094 HydrophobicContact CG1-CG 4.06Å |
| 2086 | V | 88.3 | Confident | 86.3 | Confident | 2.4 Ų | 2.4 | 73 Ų | 73 | 2% | 0.015 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 112.3 | 176.8 | -174.2 | 0 | 0 | 0 | 0 | 108.4 | F2016 M2041 D2042 V2084 L2093 | F2016-V2086 HydrophobicContact CD2-CG2 3.86Å; F2016-V2086 HydrophobicContact CE1-CG2 4.25Å; F2016-V2086 HydrophobicContact CE2-CB 4.45Å; F2016-V2086 HydrophobicContact CE2-CG2 3.45Å; F2016-V2086 VanDerWaalsContact CE2-CG2 3.46Å; F2016-V2086 HydrophobicContact CG-CG2 4.4Å; F2016-V2086 HydrophobicContact CZ-CG2 3.66Å; M2041-V2086 HydrophobicContact CG-CG2 4.45Å; D2042-V2086 HydrophobicContact CB-CG1 4.32Å; V2084-V2086 HydrophobicContact CG1-CG2 4.33Å; V2086-L2093 HydrophobicContact CB-CB 4.48Å; V2086-L2093 PolarHBondContact N-O 2.99Å; V2086-L2093 PolarHBondContact O-N 3.18Å |
| 2087 | P | 82.6 | Confident | 87 | Confident | 53.6 Ų | 53.6 | 68.5 Ų | 68.5 | 35% | 0.348 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 139 | 175 | 20.7 | -21.3 | 0 | 0 | 0 | 110.6 | Q2045 | Q2045-P2087 HydrophobicContact CB-CG 3.72Å; Q2045-P2087 WeakPolarHBondContact O-CD 3.34Å; Q2045-P2087 VanDerWaalsContact O-CG 3.28Å; Q2045-P2087 WeakPolarHBondContact O-CG 3.33Å |
| 2088 | T | 74.2 | Confident | 87.2 | Confident | 50 Ų | 50 | 71 Ų | 71 | 31% | 0.307 | 37% | 0.365 | S | S | . | . | trans | -123.2 | 166.5 | 170 | 71.3 | 0 | 0 | 0 | 0 | 109.5 | D2090 N2091 L2093 | T2088-D2090 VanDerWaalsContact C-N 3.25Å; T2088-D2090 PolarHBondContact O-N 3.03Å; T2088-D2090 VanDerWaalsContact O-N 3.13Å; T2088-N2091 CarbonylContact C-O 3.53Å; T2088-N2091 WeakPolarHBondContact CA-O 3.24Å; T2088-N2091 WeakPolarHBondContact CB-O 3.45Å; T2088-N2091 PolarHBondContact N-O 2.94Å; T2088-N2091 PolarHBondContact O-N 2.82Å; T2088-N2091 VanDerWaalsContact O-O 3.1Å; T2088-N2091 VanDerWaalsContact OG1-C 3.31Å; T2088-N2091 PolarHBondContact OG1-N 2.97Å; T2088-N2091 VanDerWaalsContact OG1-N 3.16Å; T2088-N2091 PolarHBondContact OG1-O 2.95Å; T2088-L2093 HydrophobicContact CG2-CD1 3.71Å; T2088-L2093 HydrophobicContact CG2-CG 3.95Å | ||
| 2089 | I | 70.8 | Confident | 87.2 | Confident | 171.6 Ų | 171.6 | 67.8 Ų | 67.8 | 88% | 0.88 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -56.1 | -35.6 | -175.6 | -63.2 | 169.6 | 0 | 0 | 0 | 112.1 | ||
| 2090 | D | 70.6 | Confident | 87.2 | Confident | 149.4 Ų | 149.4 | 63.7 Ų | 63.7 | 80% | 0.799 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -111.2 | -14.6 | -173.8 | -59.8 | -40.1 | 0 | 0 | 0 | 114.2 | T2088 | T2088-D2090 VanDerWaalsContact C-N 3.25Å; T2088-D2090 PolarHBondContact O-N 3.03Å; T2088-D2090 VanDerWaalsContact O-N 3.13Å |
| 2091 | N | 75.6 | Confident | 87.3 | Confident | 118 Ų | 118 | 63.6 Ų | 63.6 | 63% | 0.631 | 34% | 0.343 | S | S | * | . | trans | -159 | 172.6 | -172.4 | -120 | -21.6 | 0 | 0 | 0 | 112.9 | T2088 | T2088-N2091 CarbonylContact C-O 3.53Å; T2088-N2091 WeakPolarHBondContact CA-O 3.24Å; T2088-N2091 WeakPolarHBondContact CB-O 3.45Å; T2088-N2091 PolarHBondContact N-O 2.94Å; T2088-N2091 PolarHBondContact O-N 2.82Å; T2088-N2091 VanDerWaalsContact O-O 3.1Å; T2088-N2091 VanDerWaalsContact OG1-C 3.31Å; T2088-N2091 PolarHBondContact OG1-N 2.97Å; T2088-N2091 VanDerWaalsContact OG1-N 3.16Å; T2088-N2091 PolarHBondContact OG1-O 2.95Å | ||
| 2092 | V | 80.8 | Confident | 87.2 | Confident | 88.6 Ų | 88.6 | 64.3 Ų | 64.3 | 54% | 0.537 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 120.5 | 171.7 | 179 | 0 | 0 | 0 | 0 | 109.1 | I2085 | I2085-V2092 HydrophobicContact CG2-CG1 3.21Å |
| 2093 | L | 87 | Confident | 87.1 | Confident | 56.4 Ų | 56.4 | 64.3 Ų | 64.3 | 30% | 0.295 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 122.5 | 174 | -64.7 | 175.4 | 0 | 0 | 0 | 109 | N1991 F2016 I2085 V2086 T2088 | N1991-L2093 HydrophobicContact CB-CD1 4.05Å; N1991-L2093 WeakPolarHBondContact OD1-CD1 3.41Å; F2016-L2093 HydrophobicContact CB-CD1 4.01Å; F2016-L2093 HydrophobicContact CD1-CB 3.79Å; F2016-L2093 HydrophobicContact CD1-CD1 4.26Å; F2016-L2093 HydrophobicContact CD1-CG 4.45Å; F2016-L2093 HydrophobicContact CE1-CB 4.2Å; F2016-L2093 HydrophobicContact CG-CB 4.44Å; F2016-L2093 HydrophobicContact CG-CD1 4.35Å; I2085-L2093 WeakPolarHBondContact CA-O 3.16Å; V2086-L2093 HydrophobicContact CB-CB 4.48Å; V2086-L2093 PolarHBondContact N-O 2.99Å; V2086-L2093 PolarHBondContact O-N 3.18Å; T2088-L2093 HydrophobicContact CG2-CD1 3.71Å; T2088-L2093 HydrophobicContact CG2-CG 3.95Å |
| 2094 | Q | 89.8 | Confident | 86.7 | Confident | 122 Ų | 122 | 65.2 Ų | 65.2 | 57% | 0.57 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 134.1 | 178.3 | 165.3 | 178.8 | -1.8 | 0 | 0 | 110.4 | T2083 V2084 I2085 | T2083-Q2094 HydrophobicContact CG2-CG 3.76Å; T2083-Q2094 VanDerWaalsContact CG2-NE2 3.26Å; V2084-Q2094 WeakPolarHBondContact O-CA 3.49Å; I2085-Q2094 HydrophobicContact CG1-CB 4.34Å; I2085-Q2094 HydrophobicContact CG1-CG 4.06Å |
| 2095 | K | 92.3 | Very high | 86.2 | Confident | 93.8 Ų | 93.8 | 67.8 Ų | 67.8 | 41% | 0.408 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 153.2 | 167.9 | -78.1 | -173.3 | 176 | -153.9 | 0 | 109.8 | F2016 L2018 V2084 | F2016-K2095 HydrophobicContact CD1-CB 4.44Å; F2016-K2095 HydrophobicContact CD1-CD 4.18Å; F2016-K2095 HydrophobicContact CD1-CG 4.11Å; F2016-K2095 HydrophobicContact CE1-CB 3.93Å; F2016-K2095 HydrophobicContact CE1-CD 4.14Å; F2016-K2095 HydrophobicContact CE1-CG 3.85Å; F2016-K2095 HydrophobicContact CZ-CB 4.16Å; F2016-K2095 HydrophobicContact CZ-CG 4.49Å; F2016-K2095 WeakPolarHBondContact O-CE 3.38Å; F2016-K2095 PolarHBondContact O-NZ 3.05Å; L2018-K2095 HydrophobicContact CB-CB 4.19Å; L2018-K2095 HydrophobicContact CB-CD 4.31Å; L2018-K2095 VanDerWaalsContact CD1-C 3.48Å; L2018-K2095 HydrophobicContact CD1-CB 3.46Å; L2018-K2095 VanDerWaalsContact CD1-CB 3.44Å; L2018-K2095 VanDerWaalsContact CD1-O 3.3Å; L2018-K2095 WeakPolarHBondContact CD1-O 3.28Å; L2018-K2095 HydrophobicContact CG-CB 4.04Å; V2084-K2095 PolarHBondContact N-O 3.13Å; V2084-K2095 PolarHBondContact O-N 2.98Å; V2084-K2095 VanDerWaalsContact O-N 3.12Å |
| 2096 | K | 92.5 | Very high | 85.8 | Confident | 100 Ų | 100 | 71.7 Ų | 71.7 | 44% | 0.435 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 133.2 | -175.7 | 178.5 | -177.1 | -88.4 | -154.1 | 0 | 110 | D2081 V2082 T2083 I2098 | D2081-K2096 HydrophobicContact CB-CD 3.89Å; D2081-K2096 HydrophobicContact CB-CG 4.05Å; D2081-K2096 VanDerWaalsContact OD2-CD 3.29Å; D2081-K2096 WeakPolarHBondContact OD2-CD 3.35Å; D2081-K2096 WeakPolarHBondContact OD2-CE 3.26Å; D2081-K2096 IonicContact OD2-NZ 2.93Å; D2081-K2096 PolarHBondContact OD2-NZ 3.24Å; V2082-K2096 CarbonylContact O-C 3.46Å; V2082-K2096 WeakPolarHBondContact O-CA 3.27Å; T2083-K2096 VanDerWaalsContact OG1-CE 3.27Å; T2083-K2096 WeakPolarHBondContact OG1-CE 3.4Å; K2096-I2098 HydrophobicContact CD-CG1 4.37Å; K2096-I2098 HydrophobicContact CG-CG1 4.41Å |
| 2097 | L | 92.6 | Very high | 85.8 | Confident | 28.8 Ų | 28.8 | 73.8 Ų | 73.8 | 15% | 0.151 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 113 | 163.4 | -61.2 | 171.4 | 0 | 0 | 0 | 107.7 | L2018 I2021 D2081 V2082 G2099 A2100 | L2018-L2097 HydrophobicContact CB-CD2 4.3Å; L2018-L2097 HydrophobicContact CB-CG 4.39Å; L2018-L2097 HydrophobicContact CD2-CD1 3.79Å; L2018-L2097 HydrophobicContact CD2-CG 4.01Å; I2021-L2097 HydrophobicContact CB-CD1 4.46Å; D2081-L2097 WeakPolarHBondContact CA-O 3.33Å; V2082-L2097 HydrophobicContact CB-CB 4.35Å; V2082-L2097 PolarHBondContact N-O 3.04Å; V2082-L2097 PolarHBondContact O-N 3.13Å; L2097-G2099 PolarHBondContact O-N 2.86Å; L2097-A2100 HydrophobicContact CB-CB 3.53Å; L2097-A2100 VanDerWaalsContact CB-CB 3.41Å; L2097-A2100 HydrophobicContact CD1-CB 4.44Å |
| 2098 | I | 91.6 | Very high | 85.9 | Confident | 145 Ų | 145 | 72.2 Ų | 72.2 | 74% | 0.744 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 130.2 | -174.7 | -59.8 | 172.5 | 0 | 0 | 0 | 109.9 | D2081 K2096 A2100 | D2081-I2098 VanDerWaalsContact OD1-CA 3.31Å; D2081-I2098 WeakPolarHBondContact OD1-CA 3.34Å; K2096-I2098 HydrophobicContact CD-CG1 4.37Å; K2096-I2098 HydrophobicContact CG-CG1 4.41Å; I2098-A2100 VanDerWaalsContact C-N 3.25Å; I2098-A2100 PolarHBondContact O-N 2.81Å; I2098-A2100 VanDerWaalsContact O-N 3.15Å |
| 2099 | G | 90.2 | Very high | 86.6 | Confident | 36.6 Ų | 36.6 | 69.8 Ų | 69.8 | 38% | 0.377 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 56.1 | 31.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I2079 C2080 D2081 L2097 | I2079-G2099 VanDerWaalsContact CG2-CA 3.47Å; C2080-G2099 CarbonylContact O-C 3.54Å; C2080-G2099 VanDerWaalsContact O-C 3.3Å; C2080-G2099 WeakPolarHBondContact O-CA 3.36Å; D2081-G2099 PolarHBondContact OD1-N 3.11Å; L2097-G2099 PolarHBondContact O-N 2.86Å |
| 2100 | A | 91.8 | Very high | 87.5 | Confident | 22.6 Ų | 22.6 | 68.3 Ų | 68.3 | 19% | 0.187 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -13.1 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I2021 N2024 C2080 V2082 L2097 I2098 | I2021-A2100 HydrophobicContact CG2-CB 3.79Å; I2021-A2100 VanDerWaalsContact CG2-O 3.28Å; I2021-A2100 WeakPolarHBondContact CG2-O 3.4Å; N2024-A2100 VanDerWaalsContact CB-O 3.31Å; N2024-A2100 WeakPolarHBondContact CB-O 3.35Å; C2080-A2100 PolarHBondContact O-N 3.06Å; V2082-A2100 HydrophobicContact CB-CB 4.41Å; V2082-A2100 HydrophobicContact CG2-CB 3.99Å; L2097-A2100 HydrophobicContact CB-CB 3.53Å; L2097-A2100 VanDerWaalsContact CB-CB 3.41Å; L2097-A2100 HydrophobicContact CD1-CB 4.44Å; I2098-A2100 VanDerWaalsContact C-N 3.25Å; I2098-A2100 PolarHBondContact O-N 2.81Å; I2098-A2100 VanDerWaalsContact O-N 3.15Å |
| 2101 | F | 93.7 | Very high | 88.6 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 135.9 | 178.1 | -168.3 | -93.8 | 0 | 0 | 0 | 112.2 | I2021 N2024 Q2032 V2034 I2050 T2069 I2079 C2080 V2082 Y2103 | I2021-F2101 HydrophobicContact CD1-CB 4.41Å; I2021-F2101 HydrophobicContact CD1-CD2 3.96Å; I2021-F2101 HydrophobicContact CD1-CG 4.47Å; N2024-F2101 CarbonylContact O-C 3.45Å; N2024-F2101 VanDerWaalsContact O-CA 3.3Å; N2024-F2101 WeakPolarHBondContact O-CA 3.45Å; Q2032-F2101 VanDerWaalsContact OE1-CZ 3.23Å; V2034-F2101 HydrophobicContact CG1-CD2 4.34Å; V2034-F2101 HydrophobicContact CG1-CE2 3.7Å; V2034-F2101 HydrophobicContact CG1-CZ 4.36Å; I2050-F2101 HydrophobicContact CD1-CG 4.49Å; I2050-F2101 HydrophobicContact CG2-CB 4.03Å; I2050-F2101 HydrophobicContact CG2-CD1 3.76Å; I2050-F2101 HydrophobicContact CG2-CG 4.08Å; T2069-F2101 HydrophobicContact CG2-CE1 4.11Å; T2069-F2101 HydrophobicContact CG2-CE2 4.06Å; T2069-F2101 HydrophobicContact CG2-CZ 3.63Å; I2079-F2101 CarbonylContact C-O 3.51Å; C2080-F2101 WeakPolarHBondContact CA-O 3.14Å; C2080-F2101 HydrophobicContact CB-CB 4.49Å; C2080-F2101 WeakPolarHBondContact CB-O 3.22Å; C2080-F2101 PolarHBondContact N-O 3.06Å; C2080-F2101 PolarHBondContact O-N 3.05Å; C2080-F2101 VanDerWaalsContact O-N 3.12Å; V2082-F2101 HydrophobicContact CG2-CB 3.92Å; F2101-Y2103 HydrophobicContact CD1-CD2 4.08Å; F2101-Y2103 AromaticContact CD1-CE2 3.91Å; F2101-Y2103 HydrophobicContact CD1-CE2 3.91Å; F2101-Y2103 AromaticContact CE1-CD1 4Å; F2101-Y2103 HydrophobicContact CE1-CD1 4.16Å; F2101-Y2103 AromaticContact CE1-CD2 3.97Å; F2101-Y2103 HydrophobicContact CE1-CD2 4.03Å; F2101-Y2103 AromaticContact CE1-CE1 3.87Å; F2101-Y2103 HydrophobicContact CE1-CE1 3.99Å; F2101-Y2103 AromaticContact CE1-CE2 3.85Å; F2101-Y2103 HydrophobicContact CE1-CE2 3.85Å; F2101-Y2103 HydrophobicContact CE1-CG 4.2Å; F2101-Y2103 AromaticContact CE1-CZ 3.82Å |
| 2102 | Q | 92.6 | Very high | 89.4 | Confident | 66 Ų | 66 | 60.9 Ų | 60.9 | 31% | 0.308 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116.5 | -178.9 | -177.7 | -176.2 | -54.1 | 0 | 0 | 112.2 | N2024 S2025 G2026 I2077 K2078 I2079 | N2024-Q2102 PolarHBondContact O-N 3.14Å; S2025-Q2102 CarbonylContact C-O 3.56Å; S2025-Q2102 WeakPolarHBondContact CA-O 3.35Å; S2025-Q2102 VanDerWaalsContact CB-O 3.29Å; S2025-Q2102 WeakPolarHBondContact CB-O 3.34Å; G2026-Q2102 PolarHBondContact N-O 3.12Å; G2026-Q2102 VanDerWaalsContact N-O 3.07Å; I2077-Q2102 HydrophobicContact CG2-CG 3.62Å; I2077-Q2102 VanDerWaalsContact CG2-NE2 3.3Å; K2078-Q2102 CarbonylContact O-C 3.49Å; K2078-Q2102 VanDerWaalsContact O-CA 3.3Å; K2078-Q2102 WeakPolarHBondContact O-CA 3.43Å; I2079-Q2102 HydrophobicContact CG1-CB 4.45Å; I2079-Q2102 HydrophobicContact CG1-CG 4.26Å |
| 2103 | Y | 90.7 | Very high | 90 | Very high | 1.4 Ų | 1.4 | 59 Ų | 59 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 129.4 | 165.9 | -75.7 | -81.1 | 0 | 0 | 0 | 110.5 | G2026 G2027 I2050 P2070 L2072 I2077 K2078 C2080 F2101 | G2026-Y2103 CarbonylContact O-C 3.54Å; G2026-Y2103 WeakPolarHBondContact O-CA 3.39Å; G2027-Y2103 VanDerWaalsContact O-CD1 3.28Å; G2027-Y2103 WeakPolarHBondContact O-CD1 3.27Å; I2050-Y2103 HydrophobicContact CG2-CE2 4.02Å; P2070-Y2103 VanDerWaalsContact CD-OH 3.29Å; P2070-Y2103 WeakPolarHBondContact CD-OH 3.31Å; P2070-Y2103 WeakPolarHBondContact CG-OH 3.41Å; P2070-Y2103 WeakPolarHBondContact O-CE1 3.31Å; P2070-Y2103 PolarHBondContact O-OH 3.27Å; L2072-Y2103 HydrophobicContact CB-CD1 4.29Å; L2072-Y2103 HydrophobicContact CB-CD2 4.34Å; L2072-Y2103 HydrophobicContact CB-CE1 4.28Å; L2072-Y2103 HydrophobicContact CB-CE2 4.33Å; L2072-Y2103 HydrophobicContact CB-CG 4.32Å; L2072-Y2103 HydrophobicContact CD2-CD2 3.56Å; L2072-Y2103 VanDerWaalsContact CD2-CD2 3.49Å; L2072-Y2103 HydrophobicContact CD2-CE2 4.08Å; L2072-Y2103 HydrophobicContact CD2-CG 3.91Å; L2072-Y2103 HydrophobicContact CG-CD2 4.48Å; I2077-Y2103 CarbonylContact C-O 3.44Å; I2077-Y2103 VanDerWaalsContact CA-O 3.31Å; I2077-Y2103 WeakPolarHBondContact CA-O 3.27Å; K2078-Y2103 PolarHBondContact N-O 2.9Å; K2078-Y2103 PolarHBondContact O-N 2.97Å; C2080-Y2103 VanDerWaalsContact SG-CD2 3.57Å; F2101-Y2103 HydrophobicContact CD1-CD2 4.08Å; F2101-Y2103 AromaticContact CD1-CE2 3.91Å; F2101-Y2103 HydrophobicContact CD1-CE2 3.91Å; F2101-Y2103 AromaticContact CE1-CD1 4Å; F2101-Y2103 HydrophobicContact CE1-CD1 4.16Å; F2101-Y2103 AromaticContact CE1-CD2 3.97Å; F2101-Y2103 HydrophobicContact CE1-CD2 4.03Å; F2101-Y2103 AromaticContact CE1-CE1 3.87Å; F2101-Y2103 HydrophobicContact CE1-CE1 3.99Å; F2101-Y2103 AromaticContact CE1-CE2 3.85Å; F2101-Y2103 HydrophobicContact CE1-CE2 3.85Å; F2101-Y2103 HydrophobicContact CE1-CG 4.2Å; F2101-Y2103 AromaticContact CE1-CZ 3.82Å |
| 2104 | N | 87.7 | Confident | 90.3 | Very high | 24.2 Ų | 24.2 | 56.8 Ų | 56.8 | 13% | 0.129 | 29% | 0.292 | C | S | . | . | trans | -128.8 | 124.3 | 177.9 | -173.2 | -3.3 | 0 | 0 | 0 | 110.9 | G2026 G2027 I2077 D2106 L2107 | G2026-N2104 PolarHBondContact O-N 2.91Å; G2027-N2104 WeakPolarHBondContact CA-O 3.1Å; I2077-N2104 HydrophobicContact CG1-CB 4.41Å; I2077-N2104 WeakPolarHBondContact CG1-OD1 3.27Å; N2104-D2106 VanDerWaalsContact C-N 3.29Å; N2104-D2106 PolarHBondContact O-N 3.1Å; N2104-D2106 WeakPolarHBondContact OD1-CB 3.5Å; N2104-D2106 PolarHBondContact OD1-N 2.97Å; N2104-D2106 VanDerWaalsContact OD1-N 3.11Å; N2104-L2107 HydrophobicContact CB-CB 4.35Å; N2104-L2107 HydrophobicContact CB-CD1 3.89Å; N2104-L2107 HydrophobicContact CB-CG 3.95Å; N2104-L2107 PolarHBondContact O-N 2.98Å; N2104-L2107 VanDerWaalsContact O-N 3.11Å | ||
| 2105 | V | 83 | Confident | 90.4 | Very high | 54.8 Ų | 54.8 | 56.3 Ų | 56.3 | 33% | 0.332 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -64.1 | -31.5 | 179.1 | 81.5 | 0 | 0 | 0 | 0 | 112.4 | T2028 L2107 A2108 | T2028-V2105 HydrophobicContact CG2-CB 4.32Å; T2028-V2105 HydrophobicContact CG2-CG2 3.9Å; V2105-L2107 PolarHBondContact O-N 2.88Å; V2105-L2107 VanDerWaalsContact O-N 3.13Å; V2105-A2108 WeakPolarHBondContact O-CB 3.31Å; V2105-A2108 PolarHBondContact O-N 2.97Å; V2105-A2108 VanDerWaalsContact O-N 3.13Å |
| 2106 | D | 84.2 | Confident | 90.3 | Very high | 119.8 Ų | 119.8 | 53.7 Ų | 53.7 | 64% | 0.641 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -70.6 | -9.1 | 179.8 | -63 | -33.7 | 0 | 0 | 0 | 113 | N2104 L2133 | N2104-D2106 VanDerWaalsContact C-N 3.29Å; N2104-D2106 PolarHBondContact O-N 3.1Å; N2104-D2106 WeakPolarHBondContact OD1-CB 3.5Å; N2104-D2106 PolarHBondContact OD1-N 2.97Å; N2104-D2106 VanDerWaalsContact OD1-N 3.11Å; D2106-L2133 VanDerWaalsContact O-CD1 3.29Å; D2106-L2133 WeakPolarHBondContact O-CD1 3.3Å |
| 2107 | L | 86.5 | Confident | 90.1 | Very high | 45.2 Ų | 45.2 | 52.8 Ų | 52.8 | 24% | 0.237 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -100.2 | 3.3 | 177.7 | -60.1 | -179.3 | 0 | 0 | 0 | 113 | N2104 V2105 P2109 N2179 | N2104-L2107 HydrophobicContact CB-CB 4.35Å; N2104-L2107 HydrophobicContact CB-CD1 3.89Å; N2104-L2107 HydrophobicContact CB-CG 3.95Å; N2104-L2107 PolarHBondContact O-N 2.98Å; N2104-L2107 VanDerWaalsContact O-N 3.11Å; V2105-L2107 PolarHBondContact O-N 2.88Å; V2105-L2107 VanDerWaalsContact O-N 3.13Å; L2107-P2109 VanDerWaalsContact O-CD 3.26Å; L2107-P2109 WeakPolarHBondContact O-CD 3.37Å; L2107-N2179 VanDerWaalsContact O-CB 3.27Å; L2107-N2179 WeakPolarHBondContact O-CB 3.3Å; L2107-N2179 PolarHBondContact O-ND2 2.94Å |
| 2108 | A | 85.2 | Confident | 89.9 | Confident | 20.8 Ų | 20.8 | 54 Ų | 54 | 17% | 0.172 | 29% | 0.291 | C | S | . | . | trans | -85.7 | 110.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E2029 V2105 | E2029-A2108 HydrophobicContact CG-CB 4.26Å; V2105-A2108 WeakPolarHBondContact O-CB 3.31Å; V2105-A2108 PolarHBondContact O-N 2.97Å; V2105-A2108 VanDerWaalsContact O-N 3.13Å | ||
| 2109 | P | 89.9 | Confident | 89.6 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -67.9 | 157 | 177.7 | 22.4 | -22.7 | 0 | 0 | 0 | 111.8 | L2107 T2132 L2133 F2134 V2176 N2179 G2180 A2182 S2183 | L2107-P2109 VanDerWaalsContact O-CD 3.26Å; L2107-P2109 WeakPolarHBondContact O-CD 3.37Å; P2109-T2132 WeakPolarHBondContact CA-O 3.34Å; P2109-T2132 VanDerWaalsContact CB-O 3.27Å; P2109-T2132 WeakPolarHBondContact CB-O 3.37Å; P2109-L2133 HydrophobicContact CB-CB 4.14Å; P2109-F2134 HydrophobicContact CB-CD1 4.48Å; P2109-F2134 HydrophobicContact CB-CE1 4.46Å; P2109-V2176 HydrophobicContact CB-CG2 4.09Å; P2109-V2176 HydrophobicContact CG-CB 4.32Å; P2109-V2176 HydrophobicContact CG-CG2 3.9Å; P2109-N2179 HydrophobicContact CG-CB 4.35Å; P2109-G2180 WeakPolarHBondContact CG-O 3.32Å; P2109-A2182 HydrophobicContact CB-CB 3.89Å; P2109-A2182 HydrophobicContact CG-CB 4.05Å; P2109-A2182 CarbonylContact O-C 3.49Å; P2109-A2182 VanDerWaalsContact O-CA 3.27Å; P2109-A2182 WeakPolarHBondContact O-CA 3.3Å; P2109-S2183 PolarHBondContact O-N 3.06Å; P2109-S2183 PolarHBondContact O-OG 3.1Å | ||
| 2110 | R | 90 | Very high | 89.3 | Confident | 140.2 Ų | 140.2 | 46.1 Ų | 46.1 | 53% | 0.529 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 137 | -178.4 | -179.7 | 167.9 | 177.1 | -173 | 1.5 | 111.5 | F2112 G2131 T2132 S2183 | R2110-F2112 HydrophobicContact CB-CE1 4.44Å; R2110-F2112 HydrophobicContact CG-CD1 4.13Å; R2110-F2112 HydrophobicContact CG-CE1 3.88Å; R2110-G2131 CarbonylContact O-C 3.56Å; R2110-G2131 VanDerWaalsContact O-C 3.31Å; R2110-G2131 WeakPolarHBondContact O-CA 3.28Å; R2110-T2132 PolarHBondContact N-O 2.93Å; R2110-T2132 PolarHBondContact N-OG1 3.02Å; R2110-T2132 PolarHBondContact O-N 2.98Å; R2110-T2132 PolarHBondContact O-OG1 2.99Å; R2110-S2183 CarbonylContact C-O 3.56Å; R2110-S2183 WeakPolarHBondContact CA-O 3.48Å; R2110-S2183 WeakPolarHBondContact CA-OG 3.23Å; R2110-S2183 VanDerWaalsContact CB-OG 3.29Å; R2110-S2183 WeakPolarHBondContact CB-OG 3.33Å; R2110-S2183 VanDerWaalsContact CG-OG 3.31Å; R2110-S2183 WeakPolarHBondContact CG-OG 3.26Å |
| 2111 | I | 93.3 | Very high | 89 | Confident | 6.8 Ų | 6.8 | 45.8 Ų | 45.8 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 128.1 | 171.5 | -51.6 | 172.7 | 0 | 0 | 0 | 108.7 | V2114 I2129 F2134 V2174 A2182 S2183 F2186 | I2111-V2114 HydrophobicContact CG2-CG2 3.93Å; I2111-I2129 HydrophobicContact CB-CG2 4.49Å; I2111-I2129 HydrophobicContact CD1-CG2 4.44Å; I2111-I2129 HydrophobicContact CG1-CG2 4.3Å; I2111-I2129 HydrophobicContact CG2-CG2 3.68Å; I2111-F2134 HydrophobicContact CG1-CZ 4.48Å; I2111-V2174 HydrophobicContact CD1-CB 3.94Å; I2111-V2174 HydrophobicContact CD1-CG2 3.48Å; I2111-V2174 VanDerWaalsContact CD1-CG2 3.47Å; I2111-V2174 HydrophobicContact CG1-CB 4.42Å; I2111-V2174 HydrophobicContact CG1-CG2 4.16Å; I2111-A2182 HydrophobicContact CD1-CB 4.24Å; I2111-A2182 HydrophobicContact CG1-CB 3.82Å; I2111-S2183 PolarHBondContact N-O 2.9Å; I2111-F2186 HydrophobicContact CB-CD2 4.3Å; I2111-F2186 HydrophobicContact CB-CE2 3.94Å; I2111-F2186 HydrophobicContact CG2-CD2 3.77Å; I2111-F2186 HydrophobicContact CG2-CE2 3.48Å; I2111-F2186 VanDerWaalsContact CG2-CE2 3.43Å; I2111-F2186 HydrophobicContact CG2-CZ 4.31Å |
| 2112 | F | 91.8 | Very high | 88.4 | Confident | 105.6 Ų | 105.6 | 47.5 Ų | 47.5 | 46% | 0.463 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -36.9 | 175.3 | -59 | -48.7 | 0 | 0 | 0 | 113 | R2110 I2130 T2132 F2186 | R2110-F2112 HydrophobicContact CB-CE1 4.44Å; R2110-F2112 HydrophobicContact CG-CD1 4.13Å; R2110-F2112 HydrophobicContact CG-CE1 3.88Å; F2112-I2130 WeakPolarHBondContact CA-O 3.44Å; F2112-I2130 HydrophobicContact CD2-CG2 4.42Å; F2112-I2130 PolarHBondContact N-O 3.1Å; F2112-T2132 HydrophobicContact CE2-CG2 3.56Å; F2112-T2132 VanDerWaalsContact CE2-CG2 3.46Å; F2112-T2132 HydrophobicContact CZ-CG2 3.64Å; F2112-F2186 WeakPolarHBondContact O-CZ 3.32Å |
| 2113 | S | 93.3 | Very high | 88 | Confident | 47.2 Ų | 47.2 | 45.2 Ų | 45.2 | 33% | 0.33 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 153.4 | 180 | 62.6 | 0 | 0 | 0 | 0 | 112.6 | I2129 I2130 | S2113-I2129 CarbonylContact O-C 3.57Å; S2113-I2129 WeakPolarHBondContact O-CA 3.33Å; S2113-I2130 PolarHBondContact N-O 2.88Å; S2113-I2130 PolarHBondContact O-N 3.02Å; S2113-I2130 WeakPolarHBondContact OG-CB 3.24Å |
| 2114 | V | 93.4 | Very high | 87.8 | Confident | 10.6 Ų | 10.6 | 47 Ų | 47 | 6% | 0.064 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 135.9 | 172.2 | -174.8 | 0 | 0 | 0 | 0 | 110.1 | I2111 L2117 L2127 T2128 I2129 I2172 F2186 | I2111-V2114 HydrophobicContact CG2-CG2 3.93Å; V2114-L2117 HydrophobicContact CB-CD2 4Å; V2114-L2117 HydrophobicContact CG1-CD2 4.25Å; V2114-L2127 HydrophobicContact CG1-CB 4.49Å; V2114-L2127 HydrophobicContact CG1-CD2 4.49Å; V2114-T2128 CarbonylContact C-O 3.43Å; V2114-T2128 WeakPolarHBondContact CA-O 3.38Å; V2114-I2129 HydrophobicContact CB-CG1 4.46Å; V2114-I2129 HydrophobicContact CG1-CG1 4Å; V2114-I2129 HydrophobicContact CG2-CB 4.45Å; V2114-I2129 HydrophobicContact CG2-CG1 4.08Å; V2114-I2129 HydrophobicContact CG2-CG2 4.16Å; V2114-I2172 HydrophobicContact CB-CD1 4.17Å; V2114-I2172 HydrophobicContact CG1-CD1 3.62Å; V2114-I2172 HydrophobicContact CG2-CD1 4.24Å; V2114-F2186 HydrophobicContact CB-CB 4.46Å; V2114-F2186 HydrophobicContact CB-CD1 4.36Å; V2114-F2186 HydrophobicContact CB-CG 4.41Å; V2114-F2186 HydrophobicContact CG2-CB 4.03Å; V2114-F2186 HydrophobicContact CG2-CD1 4.15Å; V2114-F2186 HydrophobicContact CG2-CD2 4.03Å; V2114-F2186 HydrophobicContact CG2-CE2 4.38Å; V2114-F2186 HydrophobicContact CG2-CG 3.79Å |
| 2115 | N | 91.5 | Very high | 87.8 | Confident | 112 Ų | 112 | 47.1 Ų | 47.1 | 60% | 0.599 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 135.1 | 176.7 | 177.8 | 67.2 | 0 | 0 | 0 | 112.1 | T2128 | N2115-T2128 PolarHBondContact N-O 3.1Å; N2115-T2128 PolarHBondContact O-N 3.12Å |
| 2116 | P | 91 | Very high | 88.3 | Confident | 39 Ų | 39 | 48.4 Ų | 48.4 | 25% | 0.253 | 28% | 0.279 | S | S | . | . | cis | -75 | 169.8 | -6.2 | 33.4 | -36.2 | 0 | 0 | 0 | 112.7 | T2125 N2126 L2127 | P2116-T2125 HydrophobicContact CG-CG2 3.68Å; P2116-N2126 VanDerWaalsContact CD-O 3.25Å; P2116-N2126 WeakPolarHBondContact CD-O 3.36Å; P2116-L2127 HydrophobicContact CG-CD2 4.32Å; P2116-L2127 WeakPolarHBondContact O-CD2 3.42Å | ||
| 2117 | L | 88.8 | Confident | 88.7 | Confident | 80.4 Ų | 80.4 | 42.7 Ų | 42.7 | 42% | 0.421 | 25% | 0.248 | S | C | . | . | trans | -104.2 | 10.8 | 175.7 | -64.6 | 175.2 | 0 | 0 | 0 | 113.2 | V2114 I2172 T2187 F2188 Y2189 | V2114-L2117 HydrophobicContact CB-CD2 4Å; V2114-L2117 HydrophobicContact CG1-CD2 4.25Å; L2117-I2172 HydrophobicContact CD2-CD1 4.14Å; L2117-T2187 WeakPolarHBondContact CD2-O 3.15Å; L2117-F2188 VanDerWaalsContact C-CD2 3.46Å; L2117-F2188 CarbonylContact O-C 3.49Å; L2117-F2188 WeakPolarHBondContact O-CA 3.39Å; L2117-Y2189 PolarHBondContact O-N 2.84Å | ||
| 2118 | I | 87 | Confident | 89.1 | Confident | 55.2 Ų | 55.2 | 42.9 Ų | 42.9 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 143 | -177.3 | -155.7 | 171 | 0 | 0 | 0 | 110.6 | F2188 Y2189 V2191 M2221 | I2118-F2188 VanDerWaalsContact C-CE2 3.48Å; I2118-F2188 VanDerWaalsContact C-CZ 3.46Å; I2118-F2188 WeakPolarHBondContact O-CE2 2.91Å; I2118-Y2189 WeakPolarHBondContact CA-O 3.24Å; I2118-Y2189 HydrophobicContact CD1-CD1 4.08Å; I2118-Y2189 HydrophobicContact CG1-CD1 4.31Å; I2118-Y2189 WeakPolarHBondContact CG1-O 3.29Å; I2118-V2191 HydrophobicContact CD1-CG1 3.9Å; I2118-V2191 HydrophobicContact CD1-CG2 3.99Å; I2118-V2191 HydrophobicContact CG1-CG1 3.98Å; I2118-V2191 HydrophobicContact CG1-CG2 3.81Å; I2118-V2191 HydrophobicContact CG2-CG1 4.07Å; I2118-V2191 HydrophobicContact CG2-CG2 3.68Å; I2118-M2221 HydrophobicContact CD1-CE 4.09Å; I2118-M2221 HydrophobicContact CD1-SD 3.9Å |
| 2119 | G | 85.7 | Confident | 89.6 | Confident | 2.2 Ų | 2.2 | 41.9 Ų | 41.9 | 2% | 0.023 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 173.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | T2125 F2188 Y2189 Y2190 V2191 | G2119-T2125 WeakPolarHBondContact CA-OG1 3.34Å; G2119-F2188 VanDerWaalsContact CA-CZ 3.45Å; G2119-F2188 VanDerWaalsContact N-CZ 3.29Å; G2119-Y2189 PolarHBondContact N-O 2.89Å; G2119-Y2190 CarbonylContact O-C 3.55Å; G2119-Y2190 WeakPolarHBondContact O-CA 3.3Å; G2119-V2191 WeakPolarHBondContact O-CG2 3.3Å; G2119-V2191 PolarHBondContact O-N 3Å |
| 2120 | G | 84.5 | Confident | 89.9 | Confident | 13.2 Ų | 13.2 | 45.3 Ų | 45.3 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 146.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G2122 G2123 Y2190 V2191 | G2120-G2122 PolarHBondContact O-N 3.05Å; G2120-G2123 PolarHBondContact O-N 3Å; G2120-Y2190 WeakPolarHBondContact O-CD1 3.33Å; G2120-V2191 CarbonylContact C-O 3.6Å; G2120-V2191 VanDerWaalsContact CA-O 3.3Å; G2120-V2191 WeakPolarHBondContact CA-O 3.34Å |
| 2121 | T | 85 | Confident | 90 | Very high | 16.8 Ų | 16.8 | 38.7 Ų | 38.7 | 10% | 0.103 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -28.8 | 173.9 | 48.2 | 0 | 0 | 0 | 0 | 113.4 | G2123 E2163 H2164 V2191 D2192 | T2121-G2123 VanDerWaalsContact C-N 3.26Å; T2121-G2123 PolarHBondContact O-N 3.04Å; T2121-E2163 CarbonylContact O-C 3.57Å; T2121-E2163 WeakPolarHBondContact O-CA 3.4Å; T2121-H2164 PolarHBondContact O-N 2.95Å; T2121-V2191 PolarHBondContact N-O 3.06Å; T2121-V2191 VanDerWaalsContact N-O 3.1Å; T2121-D2192 WeakPolarHBondContact CB-OD1 3.38Å; T2121-D2192 VanDerWaalsContact CG2-OD1 3.27Å; T2121-D2192 WeakPolarHBondContact CG2-OD1 3.35Å; T2121-D2192 PolarHBondContact N-OD1 3.03Å; T2121-D2192 VanDerWaalsContact N-OD1 3.1Å; T2121-D2192 PolarHBondContact OG1-OD1 3.16Å; T2121-D2192 PolarHBondContact OG1-OD2 3.3Å |
| 2122 | G | 81.2 | Confident | 90 | Very high | 35.8 Ų | 35.8 | 40.5 Ų | 40.5 | 37% | 0.369 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 0.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | G2120 | G2120-G2122 PolarHBondContact O-N 3.05Š|
| 2123 | G | 84.8 | Confident | 89.9 | Confident | 17 Ų | 17 | 38.9 Ų | 38.9 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | trans | 77.8 | -162.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | G2120 T2121 T2161 G2162 | G2120-G2123 PolarHBondContact O-N 3Å; T2121-G2123 VanDerWaalsContact C-N 3.26Å; T2121-G2123 PolarHBondContact O-N 3.04Å; G2123-T2161 CarbonylContact C-O 3.52Å; G2123-T2161 VanDerWaalsContact CA-O 3.27Å; G2123-T2161 WeakPolarHBondContact CA-O 3.36Å; G2123-G2162 VanDerWaalsContact CA-O 3.3Å; G2123-G2162 WeakPolarHBondContact CA-O 3.37Å | ||
| 2124 | G | 85.7 | Confident | 89.8 | Confident | 41 Ų | 41 | 36.9 Ų | 36.9 | 42% | 0.423 | 23% | 0.229 | S | C | . | . | trans | 89.7 | 2 | 175 | 0 | 0 | 0 | 0 | 0 | 116.4 | Q2160 T2161 | G2124-Q2160 VanDerWaalsContact C-CG 3.46Å; G2124-Q2160 WeakPolarHBondContact O-CG 3.43Å; G2124-Q2160 PolarHBondContact O-NE2 3.09Å; G2124-Q2160 VanDerWaalsContact O-NE2 3.07Å; G2124-T2161 PolarHBondContact N-O 3.05Å; G2124-T2161 PolarHBondContact N-OG1 3.02Å | ||
| 2125 | T | 88.2 | Confident | 89.6 | Confident | 25 Ų | 25 | 39 Ų | 39 | 15% | 0.153 | 24% | 0.239 | C | C | . | . | trans | -83.7 | 125.7 | -177.4 | -55.7 | 0 | 0 | 0 | 0 | 111.2 | P2116 G2119 L2127 Q2160 T2161 F2188 | P2116-T2125 HydrophobicContact CG-CG2 3.68Å; G2119-T2125 WeakPolarHBondContact CA-OG1 3.34Å; T2125-L2127 HydrophobicContact CG2-CD2 4.25Å; T2125-L2127 PolarHBondContact O-N 3.06Å; T2125-Q2160 CarbonylContact O-C 3.5Å; T2125-Q2160 VanDerWaalsContact O-CA 3.28Å; T2125-Q2160 WeakPolarHBondContact O-CA 3.3Å; T2125-T2161 WeakPolarHBondContact CA-OG1 3.47Å; T2125-T2161 VanDerWaalsContact CB-OG1 3.31Å; T2125-T2161 WeakPolarHBondContact CB-OG1 3.37Å; T2125-T2161 PolarHBondContact N-OG1 3.07Å; T2125-T2161 VanDerWaalsContact N-OG1 3.08Å; T2125-T2161 PolarHBondContact O-N 2.92Å; T2125-T2161 PolarHBondContact O-OG1 2.93Å; T2125-T2161 VanDerWaalsContact O-OG1 3.09Å; T2125-F2188 HydrophobicContact CG2-CE2 4.38Å; T2125-F2188 HydrophobicContact CG2-CZ 4.16Å | ||
| 2126 | N | 93 | Very high | 89.5 | Confident | 83.2 Ų | 83.2 | 41.3 Ų | 41.3 | 45% | 0.445 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 108.5 | 176.8 | -69.2 | -8.8 | 0 | 0 | 0 | 111.2 | P2116 I2150 I2158 C2159 Q2160 | P2116-N2126 VanDerWaalsContact CD-O 3.25Å; P2116-N2126 WeakPolarHBondContact CD-O 3.36Å; N2126-I2150 HydrophobicContact CB-CD1 4.39Å; N2126-I2150 VanDerWaalsContact CG-CD1 3.47Å; N2126-I2150 VanDerWaalsContact OD1-CD1 3.29Å; N2126-I2150 WeakPolarHBondContact OD1-CD1 3.44Å; N2126-I2158 HydrophobicContact CB-CG2 4.48Å; N2126-C2159 CarbonylContact C-O 3.37Å; N2126-C2159 VanDerWaalsContact CA-O 3.25Å; N2126-C2159 WeakPolarHBondContact CA-O 3.37Å; N2126-Q2160 WeakPolarHBondContact OD1-CB 3.29Å; N2126-Q2160 WeakPolarHBondContact OD1-CG 3.31Å |
| 2127 | L | 93.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 133.9 | 173.7 | -55.8 | -173.7 | 0 | 0 | 0 | 111 | V2114 P2116 T2125 I2129 V2142 I2158 C2159 T2161 I2172 F2188 | V2114-L2127 HydrophobicContact CG1-CB 4.49Å; V2114-L2127 HydrophobicContact CG1-CD2 4.49Å; P2116-L2127 HydrophobicContact CG-CD2 4.32Å; P2116-L2127 WeakPolarHBondContact O-CD2 3.42Å; T2125-L2127 HydrophobicContact CG2-CD2 4.25Å; T2125-L2127 PolarHBondContact O-N 3.06Å; L2127-I2129 HydrophobicContact CB-CG1 4.46Å; L2127-V2142 HydrophobicContact CD1-CG2 3.71Å; L2127-I2158 CarbonylContact O-C 3.52Å; L2127-I2158 VanDerWaalsContact O-CA 3.24Å; L2127-I2158 WeakPolarHBondContact O-CA 3.25Å; L2127-C2159 PolarHBondContact N-O 3.08Å; L2127-C2159 PolarHBondContact O-N 3.04Å; L2127-T2161 HydrophobicContact CD1-CG2 3.67Å; L2127-T2161 HydrophobicContact CD2-CG2 4.19Å; L2127-T2161 HydrophobicContact CG-CG2 3.78Å; L2127-I2172 HydrophobicContact CD1-CD1 4.45Å; L2127-F2188 HydrophobicContact CD1-CD2 4.35Å; L2127-F2188 HydrophobicContact CD1-CE2 4.44Å; L2127-F2188 HydrophobicContact CD2-CD2 3.85Å; L2127-F2188 HydrophobicContact CD2-CE2 3.44Å; L2127-F2188 VanDerWaalsContact CD2-CE2 3.46Å; L2127-F2188 HydrophobicContact CD2-CZ 4.15Å; L2127-F2188 HydrophobicContact CG-CE2 4.47Å |
| 2128 | T | 95.5 | Very high | 89.4 | Confident | 49.2 Ų | 49.2 | 37.1 Ų | 37.1 | 30% | 0.302 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 117.5 | 166.4 | -54.6 | 0 | 0 | 0 | 0 | 109 | V2114 N2115 I2130 V2156 I2157 I2158 | V2114-T2128 CarbonylContact C-O 3.43Å; V2114-T2128 WeakPolarHBondContact CA-O 3.38Å; N2115-T2128 PolarHBondContact N-O 3.1Å; N2115-T2128 PolarHBondContact O-N 3.12Å; T2128-I2130 HydrophobicContact CG2-CG1 4.39Å; T2128-V2156 HydrophobicContact CG2-CG1 4.02Å; T2128-I2157 CarbonylContact C-O 3.49Å; T2128-I2157 VanDerWaalsContact CA-O 3.29Å; T2128-I2157 WeakPolarHBondContact CA-O 3.32Å; T2128-I2158 HydrophobicContact CG2-CG1 4.44Å |
| 2129 | I | 95.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 120.4 | -179.7 | -55 | 175.4 | 0 | 0 | 0 | 107.8 | I2111 S2113 V2114 L2127 F2134 V2140 V2156 I2157 I2172 V2174 | I2111-I2129 HydrophobicContact CB-CG2 4.49Å; I2111-I2129 HydrophobicContact CD1-CG2 4.44Å; I2111-I2129 HydrophobicContact CG1-CG2 4.3Å; I2111-I2129 HydrophobicContact CG2-CG2 3.68Å; S2113-I2129 CarbonylContact O-C 3.57Å; S2113-I2129 WeakPolarHBondContact O-CA 3.33Å; V2114-I2129 HydrophobicContact CB-CG1 4.46Å; V2114-I2129 HydrophobicContact CG1-CG1 4Å; V2114-I2129 HydrophobicContact CG2-CB 4.45Å; V2114-I2129 HydrophobicContact CG2-CG1 4.08Å; V2114-I2129 HydrophobicContact CG2-CG2 4.16Å; L2127-I2129 HydrophobicContact CB-CG1 4.46Å; I2129-F2134 HydrophobicContact CG2-CZ 4.34Å; I2129-V2140 HydrophobicContact CD1-CB 4.48Å; I2129-V2140 HydrophobicContact CD1-CG1 3.63Å; I2129-V2140 HydrophobicContact CD1-CG2 4.21Å; I2129-V2156 CarbonylContact O-C 3.49Å; I2129-V2156 VanDerWaalsContact O-CA 3.28Å; I2129-V2156 WeakPolarHBondContact O-CA 3.41Å; I2129-I2157 HydrophobicContact CB-CB 4.16Å; I2129-I2157 HydrophobicContact CB-CD1 4.3Å; I2129-I2157 HydrophobicContact CB-CG1 4.46Å; I2129-I2157 HydrophobicContact CD1-CD1 4.38Å; I2129-I2157 HydrophobicContact CG2-CD1 4.27Å; I2129-I2157 PolarHBondContact N-O 2.92Å; I2129-I2157 PolarHBondContact O-N 3.02Å; I2129-I2172 HydrophobicContact CD1-CG2 4.2Å; I2129-V2174 HydrophobicContact CD1-CG2 4.06Å; I2129-V2174 HydrophobicContact CG2-CG2 4.33Å |
| 2130 | I | 94.8 | Very high | 90.1 | Very high | 71 Ų | 71 | 38.4 Ų | 38.4 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 135.1 | 177.9 | -54.9 | 178.5 | 0 | 0 | 0 | 108.6 | F2112 S2113 T2128 T2155 V2156 | F2112-I2130 WeakPolarHBondContact CA-O 3.44Å; F2112-I2130 HydrophobicContact CD2-CG2 4.42Å; F2112-I2130 PolarHBondContact N-O 3.1Å; S2113-I2130 PolarHBondContact N-O 2.88Å; S2113-I2130 PolarHBondContact O-N 3.02Å; S2113-I2130 WeakPolarHBondContact OG-CB 3.24Å; T2128-I2130 HydrophobicContact CG2-CG1 4.39Å; I2130-T2155 CarbonylContact C-O 3.46Å; I2130-T2155 VanDerWaalsContact CA-O 3.28Å; I2130-T2155 WeakPolarHBondContact CA-O 3.37Å; I2130-V2156 HydrophobicContact CG1-CG2 4.47Å |
| 2131 | G | 93.7 | Very high | 90.5 | Very high | 0.8 Ų | 0.8 | 39.5 Ų | 39.5 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.9 | -150.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114 | R2110 F2134 T2155 | R2110-G2131 CarbonylContact O-C 3.56Å; R2110-G2131 VanDerWaalsContact O-C 3.31Å; R2110-G2131 WeakPolarHBondContact O-CA 3.28Å; G2131-F2134 VanDerWaalsContact CA-CZ 3.44Å; G2131-F2134 VanDerWaalsContact N-CE2 3.35Å; G2131-T2155 PolarHBondContact N-O 3.06Å; G2131-T2155 VanDerWaalsContact O-CA 3.25Å; G2131-T2155 WeakPolarHBondContact O-CA 3.32Å; G2131-T2155 WeakPolarHBondContact O-CB 3.32Å |
| 2132 | T | 92.2 | Very high | 90.9 | Very high | 46 Ų | 46 | 38.7 Ų | 38.7 | 28% | 0.282 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 155.2 | 179 | 52 | 0 | 0 | 0 | 0 | 112 | P2109 R2110 F2112 F2134 N2154 | P2109-T2132 WeakPolarHBondContact CA-O 3.34Å; P2109-T2132 VanDerWaalsContact CB-O 3.27Å; P2109-T2132 WeakPolarHBondContact CB-O 3.37Å; R2110-T2132 PolarHBondContact N-O 2.93Å; R2110-T2132 PolarHBondContact N-OG1 3.02Å; R2110-T2132 PolarHBondContact O-N 2.98Å; R2110-T2132 PolarHBondContact O-OG1 2.99Å; F2112-T2132 HydrophobicContact CE2-CG2 3.56Å; F2112-T2132 VanDerWaalsContact CE2-CG2 3.46Å; F2112-T2132 HydrophobicContact CZ-CG2 3.64Å; T2132-F2134 VanDerWaalsContact C-N 3.28Å; T2132-F2134 PolarHBondContact O-N 2.82Å; T2132-N2154 CarbonylContact C-O 3.51Å; T2132-N2154 WeakPolarHBondContact CA-O 3.27Å |
| 2133 | L | 90 | Very high | 91.3 | Very high | 71 Ų | 71 | 38.3 Ų | 38.3 | 37% | 0.372 | 24% | 0.235 | S | C | . | . | S | Bend | trans | 62.5 | 29.1 | 174.3 | -58.4 | 172 | 0 | 0 | 0 | 113.9 | D2106 P2109 N2154 | D2106-L2133 VanDerWaalsContact O-CD1 3.29Å; D2106-L2133 WeakPolarHBondContact O-CD1 3.3Å; P2109-L2133 HydrophobicContact CB-CB 4.14Å; L2133-N2154 PolarHBondContact N-O 3.08Å; L2133-N2154 VanDerWaalsContact N-O 3.09Å |
| 2134 | F | 91.9 | Very high | 91.3 | Very high | 6.4 Ų | 6.4 | 42.7 Ų | 42.7 | 3% | 0.028 | 26% | 0.263 | C | S | . | . | trans | -76.2 | 146.9 | 167.3 | -51.1 | -36.6 | 0 | 0 | 0 | 109.7 | P2109 I2111 I2129 G2131 T2132 T2138 L2152 N2153 N2154 I2157 V2174 V2176 | P2109-F2134 HydrophobicContact CB-CD1 4.48Å; P2109-F2134 HydrophobicContact CB-CE1 4.46Å; I2111-F2134 HydrophobicContact CG1-CZ 4.48Å; I2129-F2134 HydrophobicContact CG2-CZ 4.34Å; G2131-F2134 VanDerWaalsContact CA-CZ 3.44Å; G2131-F2134 VanDerWaalsContact N-CE2 3.35Å; T2132-F2134 VanDerWaalsContact C-N 3.28Å; T2132-F2134 PolarHBondContact O-N 2.82Å; F2134-T2138 HydrophobicContact CD1-CG2 4.44Å; F2134-L2152 HydrophobicContact CB-CD1 4.3Å; F2134-L2152 HydrophobicContact CB-CG 4.49Å; F2134-N2153 WeakPolarHBondContact CB-O 3.34Å; F2134-N2154 PolarHBondContact N-O 2.83Å; F2134-N2154 VanDerWaalsContact O-CA 3.26Å; F2134-N2154 WeakPolarHBondContact O-CA 3.36Å; F2134-I2157 HydrophobicContact CB-CD1 4.43Å; F2134-I2157 HydrophobicContact CB-CG1 4.32Å; F2134-I2157 HydrophobicContact CD1-CD1 3.98Å; F2134-I2157 HydrophobicContact CD1-CG1 4.42Å; F2134-I2157 HydrophobicContact CD2-CD1 3.86Å; F2134-I2157 HydrophobicContact CD2-CG1 3.58Å; F2134-I2157 HydrophobicContact CE1-CD1 4Å; F2134-I2157 HydrophobicContact CE2-CD1 3.86Å; F2134-I2157 HydrophobicContact CE2-CG1 3.81Å; F2134-I2157 HydrophobicContact CG-CD1 3.91Å; F2134-I2157 HydrophobicContact CG-CG1 3.96Å; F2134-I2157 HydrophobicContact CZ-CD1 3.92Å; F2134-I2157 HydrophobicContact CZ-CG1 4.36Å; F2134-V2174 HydrophobicContact CD1-CG1 4.28Å; F2134-V2174 HydrophobicContact CE1-CG1 3.95Å; F2134-V2176 HydrophobicContact CD1-CG2 4.35Å | ||
| 2135 | D | 88.8 | Confident | 91.5 | Very high | 53.8 Ų | 53.8 | 41.2 Ų | 41.2 | 29% | 0.288 | 25% | 0.246 | S | C | . | . | trans | -146.7 | -179.7 | 173.7 | 64.2 | 32.8 | 0 | 0 | 0 | 110.2 | S2137 T2138 L2152 V2176 | D2135-S2137 PolarHBondContact O-N 3.19Å; D2135-S2137 WeakPolarHBondContact OD1-CA 3.42Å; D2135-S2137 VanDerWaalsContact OD1-CB 3.26Å; D2135-S2137 WeakPolarHBondContact OD1-CB 3.41Å; D2135-S2137 PolarHBondContact OD1-N 2.91Å; D2135-S2137 PolarHBondContact OD1-OG 2.92Å; D2135-T2138 PolarHBondContact N-OG1 3.07Å; D2135-T2138 VanDerWaalsContact N-OG1 3.08Å; D2135-T2138 VanDerWaalsContact O-CB 3.28Å; D2135-T2138 WeakPolarHBondContact O-CB 3.22Å; D2135-T2138 PolarHBondContact O-N 3.1Å; D2135-T2138 PolarHBondContact O-OG1 3.13Å; D2135-L2152 VanDerWaalsContact C-CD2 3.44Å; D2135-L2152 VanDerWaalsContact O-CD1 3.28Å; D2135-L2152 WeakPolarHBondContact O-CD1 3.21Å; D2135-L2152 VanDerWaalsContact O-CD2 3.3Å; D2135-L2152 WeakPolarHBondContact O-CD2 3.35Å; D2135-V2176 WeakPolarHBondContact OD1-CG1 3.18Å; D2135-V2176 WeakPolarHBondContact OD2-CG1 3.38Å | ||
| 2136 | D | 88.4 | Confident | 91.6 | Very high | 160.6 Ų | 160.6 | 45.9 Ų | 45.9 | 86% | 0.859 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -11.2 | -177.3 | -63.1 | -27.3 | 0 | 0 | 0 | 114.2 | ||
| 2137 | S | 87.9 | Confident | 91.7 | Very high | 23.6 Ų | 23.6 | 42.3 Ų | 42.3 | 17% | 0.165 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 5.6 | 176 | 79.6 | 0 | 0 | 0 | 0 | 114 | D2135 E2177 | D2135-S2137 PolarHBondContact O-N 3.19Å; D2135-S2137 WeakPolarHBondContact OD1-CA 3.42Å; D2135-S2137 VanDerWaalsContact OD1-CB 3.26Å; D2135-S2137 WeakPolarHBondContact OD1-CB 3.41Å; D2135-S2137 PolarHBondContact OD1-N 2.91Å; D2135-S2137 PolarHBondContact OD1-OG 2.92Å; S2137-E2177 VanDerWaalsContact CB-CB 3.43Å; S2137-E2177 WeakPolarHBondContact CB-OE2 3.26Å; S2137-E2177 PolarHBondContact O-N 3.06Å; S2137-E2177 VanDerWaalsContact OG-CB 3.3Å; S2137-E2177 WeakPolarHBondContact OG-CB 3.22Å; S2137-E2177 PolarHBondContact OG-N 3Å; S2137-E2177 VanDerWaalsContact OG-N 3.13Å |
| 2138 | T | 91.7 | Very high | 91.7 | Very high | 7.6 Ų | 7.6 | 48.9 Ų | 48.9 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 136.3 | -179.1 | -49.8 | 0 | 0 | 0 | 0 | 111.5 | F2134 D2135 V2140 I2149 L2152 I2157 V2174 I2175 V2176 | F2134-T2138 HydrophobicContact CD1-CG2 4.44Å; D2135-T2138 PolarHBondContact N-OG1 3.07Å; D2135-T2138 VanDerWaalsContact N-OG1 3.08Å; D2135-T2138 VanDerWaalsContact O-CB 3.28Å; D2135-T2138 WeakPolarHBondContact O-CB 3.22Å; D2135-T2138 PolarHBondContact O-N 3.1Å; D2135-T2138 PolarHBondContact O-OG1 3.13Å; T2138-V2140 HydrophobicContact CG2-CG2 4.49Å; T2138-I2149 WeakPolarHBondContact O-CD1 3.32Å; T2138-L2152 VanDerWaalsContact CB-CD1 3.42Å; T2138-L2152 HydrophobicContact CG2-CD1 4.29Å; T2138-I2157 HydrophobicContact CG2-CD1 3.69Å; T2138-I2157 HydrophobicContact CG2-CG1 4.4Å; T2138-V2174 HydrophobicContact CG2-CG1 3.45Å; T2138-V2174 VanDerWaalsContact CG2-CG1 3.44Å; T2138-I2175 CarbonylContact C-O 3.54Å; T2138-I2175 VanDerWaalsContact CA-O 3.28Å; T2138-I2175 WeakPolarHBondContact CA-O 3.33Å; T2138-V2176 HydrophobicContact CG2-CG2 4.1Å |
| 2139 | T | 92.6 | Very high | 91.7 | Very high | 79.6 Ų | 79.6 | 49.2 Ų | 49.2 | 49% | 0.488 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 150.6 | 171.1 | 57.8 | 0 | 0 | 0 | 0 | 110.3 | V2174 I2175 | T2139-V2174 WeakPolarHBondContact O-CA 3.32Å; T2139-I2175 PolarHBondContact N-O 2.88Å; T2139-I2175 PolarHBondContact O-N 2.97Å; T2139-I2175 PolarHBondContact OG1-O 2.97Å |
| 2140 | V | 94.2 | Very high | 91.5 | Very high | 5.6 Ų | 5.6 | 53.6 Ų | 53.6 | 3% | 0.034 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 130.8 | -178.5 | -174.9 | 0 | 0 | 0 | 0 | 110.1 | I2129 T2138 C2147 I2149 I2157 I2172 E2173 V2174 | I2129-V2140 HydrophobicContact CD1-CB 4.48Å; I2129-V2140 HydrophobicContact CD1-CG1 3.63Å; I2129-V2140 HydrophobicContact CD1-CG2 4.21Å; T2138-V2140 HydrophobicContact CG2-CG2 4.49Å; V2140-C2147 HydrophobicContact CB-CB 3.97Å; V2140-C2147 HydrophobicContact CG1-CB 3.83Å; V2140-C2147 WeakPolarHBondContact O-CB 3.4Å; V2140-C2147 PolarHBondContact O-N 2.89Å; V2140-I2149 HydrophobicContact CG2-CD1 4.22Å; V2140-I2149 HydrophobicContact CG2-CG1 4.3Å; V2140-I2157 HydrophobicContact CG2-CD1 4.01Å; V2140-I2157 HydrophobicContact CG2-CG2 4.02Å; V2140-I2172 HydrophobicContact CG1-CG2 4.32Å; V2140-E2173 CarbonylContact C-O 3.55Å; V2140-E2173 WeakPolarHBondContact CA-O 3.36Å; V2140-V2174 HydrophobicContact CG1-CG2 4.28Å; V2140-V2174 HydrophobicContact CG2-CG1 4.42Å; V2140-V2174 HydrophobicContact CG2-CG2 4.11Å |
| 2141 | T | 93.4 | Very high | 91.5 | Very high | 36.2 Ų | 36.2 | 52.9 Ų | 52.9 | 22% | 0.222 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 147.8 | 173.6 | 56.7 | 0 | 0 | 0 | 0 | 110.8 | A2145 I2172 E2173 | T2141-A2145 WeakPolarHBondContact CA-O 3.38Å; T2141-I2172 WeakPolarHBondContact O-CA 3.37Å; T2141-E2173 PolarHBondContact N-O 2.89Å; T2141-E2173 VanDerWaalsContact N-O 3.08Å; T2141-E2173 PolarHBondContact O-N 3.08Å |
| 2142 | V | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 95.9 | 178.6 | -176.4 | 0 | 0 | 0 | 0 | 107.7 | L2127 S2144 A2145 C2147 T2161 V2170 P2171 I2172 F2188 Y2190 | L2127-V2142 HydrophobicContact CD1-CG2 3.71Å; V2142-S2144 PolarHBondContact O-N 3.07Å; V2142-A2145 PolarHBondContact N-O 3.15Å; V2142-A2145 PolarHBondContact O-N 3.27Å; V2142-A2145 VanDerWaalsContact O-N 3.07Å; V2142-C2147 HydrophobicContact CG2-CB 4.12Å; V2142-T2161 HydrophobicContact CB-CG2 4.5Å; V2142-T2161 HydrophobicContact CG2-CG2 4.22Å; V2142-V2170 HydrophobicContact CG1-CG2 3.81Å; V2142-P2171 CarbonylContact C-O 3.47Å; V2142-P2171 WeakPolarHBondContact CA-O 3.48Å; V2142-I2172 HydrophobicContact CG1-CG1 4.4Å; V2142-I2172 HydrophobicContact CG2-CG1 4.42Å; V2142-I2172 HydrophobicContact CG2-CG2 4.46Å; V2142-F2188 HydrophobicContact CG1-CB 3.46Å; V2142-F2188 VanDerWaalsContact CG1-CB 3.45Å; V2142-F2188 HydrophobicContact CG1-CD1 3.64Å; V2142-F2188 HydrophobicContact CG1-CD2 4.48Å; V2142-F2188 HydrophobicContact CG1-CE1 4.42Å; V2142-F2188 HydrophobicContact CG1-CG 3.72Å; V2142-Y2190 HydrophobicContact CB-CE2 4.37Å; V2142-Y2190 HydrophobicContact CG1-CE2 3.77Å |
| 2143 | G | 88.9 | Confident | 91.4 | Very high | 27.2 Ų | 27.2 | 56.4 Ų | 56.4 | 28% | 0.28 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | -121.1 | -165.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | P2171 | G2143-P2171 PolarHBondContact N-O 3.03Š|
| 2144 | S | 85.1 | Confident | 91.5 | Very high | 109.6 Ų | 109.6 | 58 Ų | 58 | 77% | 0.766 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -1.2 | 174 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | V2142 | V2142-S2144 PolarHBondContact O-N 3.07Š|
| 2145 | A | 89.9 | Confident | 91.5 | Very high | 8.4 Ų | 8.4 | 60.5 Ų | 60.5 | 7% | 0.069 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 134.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T2141 V2142 E2163 Y2190 | T2141-A2145 WeakPolarHBondContact CA-O 3.38Å; V2142-A2145 PolarHBondContact N-O 3.15Å; V2142-A2145 PolarHBondContact O-N 3.27Å; V2142-A2145 VanDerWaalsContact O-N 3.07Å; A2145-E2163 VanDerWaalsContact CB-O 3.22Å; A2145-E2163 WeakPolarHBondContact CB-O 3.41Å; A2145-Y2190 VanDerWaalsContact CB-OH 3.24Å; A2145-Y2190 WeakPolarHBondContact CB-OH 3.49Å |
| 2146 | D | 91.5 | Very high | 91.8 | Very high | 124.8 Ų | 124.8 | 59.7 Ų | 59.7 | 67% | 0.667 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 140.2 | 174.6 | -69.9 | -24.7 | 0 | 0 | 0 | 111 | G2162 | D2146-G2162 WeakPolarHBondContact O-CA 3.33Å; D2146-G2162 PolarHBondContact O-N 2.88Å; D2146-G2162 VanDerWaalsContact O-N 3.12Å |
| 2147 | C | 94.2 | Very high | 92.1 | Very high | 6.2 Ų | 6.2 | 52.1 Ų | 52.1 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 106.3 | 172.1 | -162.9 | 0 | 0 | 0 | 0 | 109.8 | V2140 V2142 I2149 C2159 Q2160 | V2140-C2147 HydrophobicContact CB-CB 3.97Å; V2140-C2147 HydrophobicContact CG1-CB 3.83Å; V2140-C2147 WeakPolarHBondContact O-CB 3.4Å; V2140-C2147 PolarHBondContact O-N 2.89Å; V2142-C2147 HydrophobicContact CG2-CB 4.12Å; C2147-I2149 PolarHBondContact O-N 3.03Å; C2147-I2149 VanDerWaalsContact O-N 3.16Å; C2147-C2159 HydrophobicContact CB-CB 3.9Å; C2147-C2159 WeakPolarHBondContact CB-SG 3.26Å; C2147-C2159 WeakPolarHBondContact SG-CB 3.38Å; C2147-C2159 CovalentContact SG-SG 2.04Å; C2147-C2159 PolarHBondContact SG-SG 2.9Å; C2147-Q2160 CarbonylContact C-O 3.5Å; C2147-Q2160 VanDerWaalsContact CA-O 3.26Å; C2147-Q2160 WeakPolarHBondContact CA-O 3.19Å; C2147-Q2160 VanDerWaalsContact SG-C 3.54Å; C2147-Q2160 PolarHBondContact SG-N 3.15Å; C2147-Q2160 PolarHBondContact SG-O 3.42Å |
| 2148 | Q | 94 | Very high | 92.5 | Very high | 139.2 Ų | 139.2 | 53.4 Ų | 53.4 | 65% | 0.65 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 112.2 | -175.8 | -177.4 | -177.1 | -11.8 | 0 | 0 | 111.2 | I2150 C2159 Q2160 | Q2148-I2150 PolarHBondContact O-N 3.05Å; Q2148-C2159 CarbonylContact O-C 3.51Å; Q2148-C2159 WeakPolarHBondContact O-CA 3.22Å; Q2148-C2159 WeakPolarHBondContact O-CB 3.25Å; Q2148-Q2160 HydrophobicContact CB-CB 4.49Å; Q2148-Q2160 PolarHBondContact N-O 2.92Å; Q2148-Q2160 PolarHBondContact O-N 2.98Å |
| 2149 | I | 93.7 | Very high | 92.7 | Very high | 55.6 Ų | 55.6 | 53 Ų | 53 | 29% | 0.285 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 124.1 | -179.7 | -62 | 174 | 0 | 0 | 0 | 110.8 | T2138 V2140 C2147 L2152 I2157 I2158 C2159 | T2138-I2149 WeakPolarHBondContact O-CD1 3.32Å; V2140-I2149 HydrophobicContact CG2-CD1 4.22Å; V2140-I2149 HydrophobicContact CG2-CG1 4.3Å; C2147-I2149 PolarHBondContact O-N 3.03Å; C2147-I2149 VanDerWaalsContact O-N 3.16Å; I2149-L2152 HydrophobicContact CD1-CD1 4.17Å; I2149-L2152 HydrophobicContact CG2-CB 3.96Å; I2149-L2152 HydrophobicContact CG2-CD1 4.4Å; I2149-I2157 HydrophobicContact CD1-CG2 4.26Å; I2149-I2157 HydrophobicContact CG1-CG2 4.02Å; I2149-I2157 HydrophobicContact CG2-CG2 4.17Å; I2149-I2158 CarbonylContact C-O 3.53Å; I2149-C2159 HydrophobicContact CB-CB 4.45Å; I2149-C2159 HydrophobicContact CG1-CB 4.07Å |
| 2150 | I | 93.1 | Very high | 92.8 | Very high | 92.8 Ų | 92.8 | 52.6 Ų | 52.6 | 48% | 0.476 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -43.9 | 176.6 | -61.9 | 170.2 | 0 | 0 | 0 | 110.6 | N2126 Q2148 I2158 Q2160 | N2126-I2150 HydrophobicContact CB-CD1 4.39Å; N2126-I2150 VanDerWaalsContact CG-CD1 3.47Å; N2126-I2150 VanDerWaalsContact OD1-CD1 3.29Å; N2126-I2150 WeakPolarHBondContact OD1-CD1 3.44Å; Q2148-I2150 PolarHBondContact O-N 3.05Å; I2150-I2158 HydrophobicContact CB-CG2 4.33Å; I2150-I2158 HydrophobicContact CD1-CG2 4.35Å; I2150-I2158 PolarHBondContact N-O 2.92Å; I2150-Q2160 HydrophobicContact CD1-CB 4.07Å; I2150-Q2160 HydrophobicContact CG1-CB 4.4Å |
| 2151 | S | 92.9 | Very high | 92.7 | Very high | 55 Ų | 55 | 52.6 Ų | 52.6 | 39% | 0.385 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 144.3 | 177.8 | 70.7 | 0 | 0 | 0 | 0 | 110.8 | I2157 I2158 | S2151-I2157 CarbonylContact O-C 3.47Å; S2151-I2158 PolarHBondContact N-O 3.01Å; S2151-I2158 VanDerWaalsContact N-O 3.15Å; S2151-I2158 PolarHBondContact O-N 3.1Å; S2151-I2158 WeakPolarHBondContact OG-CB 3.26Å; S2151-I2158 VanDerWaalsContact OG-CD1 3.32Å; S2151-I2158 WeakPolarHBondContact OG-CD1 3.32Å; S2151-I2158 VanDerWaalsContact OG-CG1 3.31Å; S2151-I2158 WeakPolarHBondContact OG-CG1 3.38Å |
| 2152 | L | 93.1 | Very high | 92.6 | Very high | 44.4 Ų | 44.4 | 52 Ų | 52 | 23% | 0.232 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 138.7 | -175.3 | 178.6 | 114.2 | 0 | 0 | 0 | 110.4 | F2134 D2135 T2138 I2149 V2156 I2157 | F2134-L2152 HydrophobicContact CB-CD1 4.3Å; F2134-L2152 HydrophobicContact CB-CG 4.49Å; D2135-L2152 VanDerWaalsContact C-CD2 3.44Å; D2135-L2152 VanDerWaalsContact O-CD1 3.28Å; D2135-L2152 WeakPolarHBondContact O-CD1 3.21Å; D2135-L2152 VanDerWaalsContact O-CD2 3.3Å; D2135-L2152 WeakPolarHBondContact O-CD2 3.35Å; T2138-L2152 VanDerWaalsContact CB-CD1 3.42Å; T2138-L2152 HydrophobicContact CG2-CD1 4.29Å; I2149-L2152 HydrophobicContact CD1-CD1 4.17Å; I2149-L2152 HydrophobicContact CG2-CB 3.96Å; I2149-L2152 HydrophobicContact CG2-CD1 4.4Å; L2152-V2156 CarbonylContact C-O 3.52Å; L2152-V2156 WeakPolarHBondContact CA-O 3.09Å; L2152-I2157 HydrophobicContact CD1-CB 4.22Å; L2152-I2157 HydrophobicContact CD1-CD1 4.41Å; L2152-I2157 HydrophobicContact CD1-CG1 3.87Å; L2152-I2157 VanDerWaalsContact CD1-CG1 3.47Å; L2152-I2157 HydrophobicContact CD1-CG2 4.26Å; L2152-I2157 HydrophobicContact CG-CG1 4.45Å |
| 2153 | N | 92 | Very high | 92.3 | Very high | 76.8 Ų | 76.8 | 59.4 Ų | 59.4 | 41% | 0.411 | 33% | 0.334 | S | S | . | . | trans | -141.3 | -179.7 | 162.4 | 70.8 | 45.2 | 0 | 0 | 0 | 109 | F2134 T2155 V2156 | F2134-N2153 WeakPolarHBondContact CB-O 3.34Å; N2153-T2155 PolarHBondContact O-N 2.88Å; N2153-T2155 WeakPolarHBondContact OD1-CA 3.45Å; N2153-T2155 PolarHBondContact OD1-N 3.23Å; N2153-T2155 PolarHBondContact OD1-OG1 3.08Å; N2153-T2155 VanDerWaalsContact OD1-OG1 3.09Å; N2153-V2156 PolarHBondContact N-O 2.93Å; N2153-V2156 PolarHBondContact O-N 2.91Å; N2153-V2156 PolarHBondContact OD1-N 3.02Å | ||
| 2154 | N | 90.7 | Very high | 92.2 | Very high | 105.6 Ų | 105.6 | 59.6 Ų | 59.6 | 57% | 0.565 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -62.4 | -8.9 | -175.7 | 69.1 | -12 | 0 | 0 | 0 | 117.1 | T2132 L2133 F2134 | T2132-N2154 CarbonylContact C-O 3.51Å; T2132-N2154 WeakPolarHBondContact CA-O 3.27Å; L2133-N2154 PolarHBondContact N-O 3.08Å; L2133-N2154 VanDerWaalsContact N-O 3.09Å; F2134-N2154 PolarHBondContact N-O 2.83Å; F2134-N2154 VanDerWaalsContact O-CA 3.26Å; F2134-N2154 WeakPolarHBondContact O-CA 3.36Å |
| 2155 | T | 92.8 | Very high | 91.9 | Very high | 57.8 Ų | 57.8 | 62.1 Ų | 62.1 | 36% | 0.355 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -132.6 | -12.8 | -178.4 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | I2130 G2131 N2153 | I2130-T2155 CarbonylContact C-O 3.46Å; I2130-T2155 VanDerWaalsContact CA-O 3.28Å; I2130-T2155 WeakPolarHBondContact CA-O 3.37Å; G2131-T2155 PolarHBondContact N-O 3.06Å; G2131-T2155 VanDerWaalsContact O-CA 3.25Å; G2131-T2155 WeakPolarHBondContact O-CA 3.32Å; G2131-T2155 WeakPolarHBondContact O-CB 3.32Å; N2153-T2155 PolarHBondContact O-N 2.88Å; N2153-T2155 WeakPolarHBondContact OD1-CA 3.45Å; N2153-T2155 PolarHBondContact OD1-N 3.23Å; N2153-T2155 PolarHBondContact OD1-OG1 3.08Å; N2153-T2155 VanDerWaalsContact OD1-OG1 3.09Å |
| 2156 | V | 94.9 | Very high | 91.2 | Very high | 38 Ų | 38 | 63.4 Ų | 63.4 | 23% | 0.23 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 130.8 | -174.7 | -175 | 0 | 0 | 0 | 0 | 110.7 | T2128 I2129 I2130 L2152 N2153 I2158 | T2128-V2156 HydrophobicContact CG2-CG1 4.02Å; I2129-V2156 CarbonylContact O-C 3.49Å; I2129-V2156 VanDerWaalsContact O-CA 3.28Å; I2129-V2156 WeakPolarHBondContact O-CA 3.41Å; I2130-V2156 HydrophobicContact CG1-CG2 4.47Å; L2152-V2156 CarbonylContact C-O 3.52Å; L2152-V2156 WeakPolarHBondContact CA-O 3.09Å; N2153-V2156 PolarHBondContact N-O 2.93Å; N2153-V2156 PolarHBondContact O-N 2.91Å; N2153-V2156 PolarHBondContact OD1-N 3.02Å; V2156-I2158 HydrophobicContact CG1-CG1 4.44Å |
| 2157 | I | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 133.7 | 169.5 | -48.4 | 165.6 | 0 | 0 | 0 | 107.9 | T2128 I2129 F2134 T2138 V2140 I2149 S2151 L2152 C2159 V2174 | T2128-I2157 CarbonylContact C-O 3.49Å; T2128-I2157 VanDerWaalsContact CA-O 3.29Å; T2128-I2157 WeakPolarHBondContact CA-O 3.32Å; I2129-I2157 HydrophobicContact CB-CB 4.16Å; I2129-I2157 HydrophobicContact CB-CD1 4.3Å; I2129-I2157 HydrophobicContact CB-CG1 4.46Å; I2129-I2157 HydrophobicContact CD1-CD1 4.38Å; I2129-I2157 HydrophobicContact CG2-CD1 4.27Å; I2129-I2157 PolarHBondContact N-O 2.92Å; I2129-I2157 PolarHBondContact O-N 3.02Å; F2134-I2157 HydrophobicContact CB-CD1 4.43Å; F2134-I2157 HydrophobicContact CB-CG1 4.32Å; F2134-I2157 HydrophobicContact CD1-CD1 3.98Å; F2134-I2157 HydrophobicContact CD1-CG1 4.42Å; F2134-I2157 HydrophobicContact CD2-CD1 3.86Å; F2134-I2157 HydrophobicContact CD2-CG1 3.58Å; F2134-I2157 HydrophobicContact CE1-CD1 4Å; F2134-I2157 HydrophobicContact CE2-CD1 3.86Å; F2134-I2157 HydrophobicContact CE2-CG1 3.81Å; F2134-I2157 HydrophobicContact CG-CD1 3.91Å; F2134-I2157 HydrophobicContact CG-CG1 3.96Å; F2134-I2157 HydrophobicContact CZ-CD1 3.92Å; F2134-I2157 HydrophobicContact CZ-CG1 4.36Å; T2138-I2157 HydrophobicContact CG2-CD1 3.69Å; T2138-I2157 HydrophobicContact CG2-CG1 4.4Å; V2140-I2157 HydrophobicContact CG2-CD1 4.01Å; V2140-I2157 HydrophobicContact CG2-CG2 4.02Å; I2149-I2157 HydrophobicContact CD1-CG2 4.26Å; I2149-I2157 HydrophobicContact CG1-CG2 4.02Å; I2149-I2157 HydrophobicContact CG2-CG2 4.17Å; S2151-I2157 CarbonylContact O-C 3.47Å; L2152-I2157 HydrophobicContact CD1-CB 4.22Å; L2152-I2157 HydrophobicContact CD1-CD1 4.41Å; L2152-I2157 HydrophobicContact CD1-CG1 3.87Å; L2152-I2157 VanDerWaalsContact CD1-CG1 3.47Å; L2152-I2157 HydrophobicContact CD1-CG2 4.26Å; L2152-I2157 HydrophobicContact CG-CG1 4.45Å; I2157-C2159 HydrophobicContact CG2-CB 4.39Å; I2157-V2174 HydrophobicContact CD1-CG1 3.74Å; I2157-V2174 HydrophobicContact CD1-CG2 4.21Å |
| 2158 | I | 95.8 | Very high | 90.2 | Very high | 51 Ų | 51 | 60 Ų | 60 | 26% | 0.262 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 119.8 | 164.1 | -55.1 | -177.1 | 0 | 0 | 0 | 107 | N2126 L2127 T2128 I2149 I2150 S2151 V2156 | N2126-I2158 HydrophobicContact CB-CG2 4.48Å; L2127-I2158 CarbonylContact O-C 3.52Å; L2127-I2158 VanDerWaalsContact O-CA 3.24Å; L2127-I2158 WeakPolarHBondContact O-CA 3.25Å; T2128-I2158 HydrophobicContact CG2-CG1 4.44Å; I2149-I2158 CarbonylContact C-O 3.53Å; I2150-I2158 HydrophobicContact CB-CG2 4.33Å; I2150-I2158 HydrophobicContact CD1-CG2 4.35Å; I2150-I2158 PolarHBondContact N-O 2.92Å; S2151-I2158 PolarHBondContact N-O 3.01Å; S2151-I2158 VanDerWaalsContact N-O 3.15Å; S2151-I2158 PolarHBondContact O-N 3.1Å; S2151-I2158 WeakPolarHBondContact OG-CB 3.26Å; S2151-I2158 VanDerWaalsContact OG-CD1 3.32Å; S2151-I2158 WeakPolarHBondContact OG-CD1 3.32Å; S2151-I2158 VanDerWaalsContact OG-CG1 3.31Å; S2151-I2158 WeakPolarHBondContact OG-CG1 3.38Å; V2156-I2158 HydrophobicContact CG1-CG1 4.44Å |
| 2159 | C | 95 | Very high | 89.8 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 155.2 | 178.8 | 75.6 | 0 | 0 | 0 | 0 | 112 | N2126 L2127 C2147 Q2148 I2149 I2157 | N2126-C2159 CarbonylContact C-O 3.37Å; N2126-C2159 VanDerWaalsContact CA-O 3.25Å; N2126-C2159 WeakPolarHBondContact CA-O 3.37Å; L2127-C2159 PolarHBondContact N-O 3.08Å; L2127-C2159 PolarHBondContact O-N 3.04Å; C2147-C2159 HydrophobicContact CB-CB 3.9Å; C2147-C2159 WeakPolarHBondContact CB-SG 3.26Å; C2147-C2159 WeakPolarHBondContact SG-CB 3.38Å; C2147-C2159 CovalentContact SG-SG 2.04Å; C2147-C2159 PolarHBondContact SG-SG 2.9Å; Q2148-C2159 CarbonylContact O-C 3.51Å; Q2148-C2159 WeakPolarHBondContact O-CA 3.22Å; Q2148-C2159 WeakPolarHBondContact O-CB 3.25Å; I2149-C2159 HydrophobicContact CB-CB 4.45Å; I2149-C2159 HydrophobicContact CG1-CB 4.07Å; I2157-C2159 HydrophobicContact CG2-CB 4.39Å |
| 2160 | Q | 95.1 | Very high | 89.7 | Confident | 70.4 Ų | 70.4 | 58.5 Ų | 58.5 | 33% | 0.329 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 124.5 | 179.2 | -169.2 | 172.3 | 40.4 | 0 | 0 | 111 | G2124 T2125 N2126 C2147 Q2148 I2150 | G2124-Q2160 VanDerWaalsContact C-CG 3.46Å; G2124-Q2160 WeakPolarHBondContact O-CG 3.43Å; G2124-Q2160 PolarHBondContact O-NE2 3.09Å; G2124-Q2160 VanDerWaalsContact O-NE2 3.07Å; T2125-Q2160 CarbonylContact O-C 3.5Å; T2125-Q2160 VanDerWaalsContact O-CA 3.28Å; T2125-Q2160 WeakPolarHBondContact O-CA 3.3Å; N2126-Q2160 WeakPolarHBondContact OD1-CB 3.29Å; N2126-Q2160 WeakPolarHBondContact OD1-CG 3.31Å; C2147-Q2160 CarbonylContact C-O 3.5Å; C2147-Q2160 VanDerWaalsContact CA-O 3.26Å; C2147-Q2160 WeakPolarHBondContact CA-O 3.19Å; C2147-Q2160 VanDerWaalsContact SG-C 3.54Å; C2147-Q2160 PolarHBondContact SG-N 3.15Å; C2147-Q2160 PolarHBondContact SG-O 3.42Å; Q2148-Q2160 HydrophobicContact CB-CB 4.49Å; Q2148-Q2160 PolarHBondContact N-O 2.92Å; Q2148-Q2160 PolarHBondContact O-N 2.98Å; I2150-Q2160 HydrophobicContact CD1-CB 4.07Å; I2150-Q2160 HydrophobicContact CG1-CB 4.4Å |
| 2161 | T | 93.4 | Very high | 89.7 | Confident | 4.8 Ų | 4.8 | 57 Ų | 57 | 3% | 0.029 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 141.1 | -177.9 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | G2123 G2124 T2125 L2127 V2142 F2188 | G2123-T2161 CarbonylContact C-O 3.52Å; G2123-T2161 VanDerWaalsContact CA-O 3.27Å; G2123-T2161 WeakPolarHBondContact CA-O 3.36Å; G2124-T2161 PolarHBondContact N-O 3.05Å; G2124-T2161 PolarHBondContact N-OG1 3.02Å; T2125-T2161 WeakPolarHBondContact CA-OG1 3.47Å; T2125-T2161 VanDerWaalsContact CB-OG1 3.31Å; T2125-T2161 WeakPolarHBondContact CB-OG1 3.37Å; T2125-T2161 PolarHBondContact N-OG1 3.07Å; T2125-T2161 VanDerWaalsContact N-OG1 3.08Å; T2125-T2161 PolarHBondContact O-N 2.92Å; T2125-T2161 PolarHBondContact O-OG1 2.93Å; T2125-T2161 VanDerWaalsContact O-OG1 3.09Å; L2127-T2161 HydrophobicContact CD1-CG2 3.67Å; L2127-T2161 HydrophobicContact CD2-CG2 4.19Å; L2127-T2161 HydrophobicContact CG-CG2 3.78Å; V2142-T2161 HydrophobicContact CB-CG2 4.5Å; V2142-T2161 HydrophobicContact CG2-CG2 4.22Å; T2161-F2188 HydrophobicContact CG2-CE1 4.09Å; T2161-F2188 HydrophobicContact CG2-CE2 4.34Å; T2161-F2188 HydrophobicContact CG2-CZ 3.93Å |
| 2162 | G | 90 | Very high | 89.7 | Confident | 23.8 Ų | 23.8 | 54.8 Ų | 54.8 | 25% | 0.245 | 31% | 0.305 | C | S | . | . | trans | -77.9 | 179 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G2123 D2146 Y2190 | G2123-G2162 VanDerWaalsContact CA-O 3.3Å; G2123-G2162 WeakPolarHBondContact CA-O 3.37Å; D2146-G2162 WeakPolarHBondContact O-CA 3.33Å; D2146-G2162 PolarHBondContact O-N 2.88Å; D2146-G2162 VanDerWaalsContact O-N 3.12Å; G2162-Y2190 WeakPolarHBondContact O-CE1 3.41Å; G2162-Y2190 PolarHBondContact O-OH 3.15Å | ||
| 2163 | E | 87.1 | Confident | 89.7 | Confident | 157 Ų | 157 | 55.8 Ų | 55.8 | 73% | 0.734 | 31% | 0.309 | S | S | * | . | trans | -69.8 | 147.3 | 175.3 | 104.3 | -179.9 | -175.8 | 0 | 0 | 112.1 | T2121 A2145 | T2121-E2163 CarbonylContact O-C 3.57Å; T2121-E2163 WeakPolarHBondContact O-CA 3.4Å; A2145-E2163 VanDerWaalsContact CB-O 3.22Å; A2145-E2163 WeakPolarHBondContact CB-O 3.41Å | ||
| 2164 | H | 85.6 | Confident | 89.7 | Confident | 30.2 Ų | 30.2 | 52.2 Ų | 52.2 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | trans | -134.9 | 135.2 | 179.4 | -173.2 | -87 | 0 | 0 | 0 | 111.6 | T2121 G2166 Y2190 | T2121-H2164 PolarHBondContact O-N 2.95Å; H2164-G2166 PolarHBondContact CE1-O 2.78Å; H2164-G2166 PolarHBondContact ND1-O 2.83Å; H2164-G2166 PolarHBondContact O-N 3.08Å; H2164-G2166 VanDerWaalsContact O-N 3.13Å; H2164-Y2190 HydrophobicContact CB-CD1 3.59Å; H2164-Y2190 HydrophobicContact CB-CD2 3.52Å; H2164-Y2190 VanDerWaalsContact CB-CD2 3.49Å; H2164-Y2190 HydrophobicContact CB-CE1 3.66Å; H2164-Y2190 VanDerWaalsContact CB-CE1 3.44Å; H2164-Y2190 HydrophobicContact CB-CE2 3.59Å; H2164-Y2190 HydrophobicContact CB-CG 3.52Å; H2164-Y2190 VanDerWaalsContact CB-CG 3.5Å; H2164-Y2190 AromaticContact CD2-CD2 3.68Å; H2164-Y2190 AromaticContact CD2-CE2 3.71Å; H2164-Y2190 AromaticContact CG-CD2 3.39Å; H2164-Y2190 AromaticContact CG-CE2 3.7Å; H2164-Y2190 AromaticContact CG-CG 3.75Å; H2164-Y2190 AromaticContact ND1-CD2 3.86Å; H2164-Y2190 AromaticContact ND1-CG 3.91Å | ||
| 2165 | N | 79.8 | Confident | 89.7 | Confident | 162.8 Ų | 162.8 | 49.6 Ų | 49.6 | 87% | 0.871 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -76.4 | 98.1 | -179.9 | -135.4 | -3.1 | 0 | 0 | 0 | 111.3 | ||
| 2166 | G | 75.9 | Confident | 89.6 | Confident | 35.2 Ų | 35.2 | 46.8 Ų | 46.8 | 36% | 0.363 | 26% | 0.258 | S | S | . | . | S | Bend | trans | 83.4 | 163.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | H2164 A2168 | H2164-G2166 PolarHBondContact CE1-O 2.78Å; H2164-G2166 PolarHBondContact ND1-O 2.83Å; H2164-G2166 PolarHBondContact O-N 3.08Å; H2164-G2166 VanDerWaalsContact O-N 3.13Å; G2166-A2168 PolarHBondContact O-N 2.97Å |
| 2167 | S | 81.1 | Confident | 89 | Confident | 24.6 Ų | 24.6 | 50.5 Ų | 50.5 | 17% | 0.172 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -76.8 | 117.3 | -178.6 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | Y2190 V2191 D2192 N2219 | S2167-Y2190 CarbonylContact C-O 3.52Å; S2167-Y2190 WeakPolarHBondContact CA-O 3.25Å; S2167-Y2190 VanDerWaalsContact CB-O 3.24Å; S2167-Y2190 WeakPolarHBondContact CB-O 3.4Å; S2167-V2191 WeakPolarHBondContact OG-CA 3.34Å; S2167-D2192 VanDerWaalsContact OG-CG 3.24Å; S2167-D2192 PolarHBondContact OG-N 3.11Å; S2167-D2192 PolarHBondContact OG-OD2 3.04Å; S2167-N2219 PolarHBondContact OG-O 3.05Å |
| 2168 | A | 83.1 | Confident | 88.2 | Confident | 34.6 Ų | 34.6 | 54.4 Ų | 54.4 | 29% | 0.286 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 150.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G2166 V2170 Y2189 Y2190 | G2166-A2168 PolarHBondContact O-N 2.97Å; A2168-V2170 HydrophobicContact CB-CG1 4.16Å; A2168-Y2189 WeakPolarHBondContact O-CD2 3.34Å; A2168-Y2190 PolarHBondContact N-O 2.91Å; A2168-Y2190 VanDerWaalsContact N-O 3.07Å; A2168-Y2190 PolarHBondContact O-N 3.05Å |
| 2169 | K | 86.4 | Confident | 87.6 | Confident | 148.8 Ų | 148.8 | 52.9 Ų | 52.9 | 65% | 0.647 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 117.8 | 167.4 | -69.6 | -174.3 | 179.8 | -177.8 | 0 | 109.1 | T2187 F2188 Y2189 | K2169-T2187 HydrophobicContact CB-CG2 3.71Å; K2169-T2187 HydrophobicContact CG-CG2 4.49Å; K2169-F2188 CarbonylContact C-O 3.52Å; K2169-F2188 WeakPolarHBondContact CA-O 3.28Å; K2169-Y2189 HydrophobicContact CG-CD1 4.29Å; K2169-Y2189 HydrophobicContact CG-CD2 3.7Å; K2169-Y2189 HydrophobicContact CG-CE2 4.31Å; K2169-Y2189 HydrophobicContact CG-CG 3.87Å |
| 2170 | V | 90.9 | Very high | 87.3 | Confident | 15.2 Ų | 15.2 | 52.9 Ų | 52.9 | 9% | 0.092 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 150.2 | -174.1 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | V2142 A2168 T2187 F2188 Y2190 | V2142-V2170 HydrophobicContact CG1-CG2 3.81Å; A2168-V2170 HydrophobicContact CB-CG1 4.16Å; V2170-T2187 CarbonylContact O-C 3.51Å; V2170-T2187 VanDerWaalsContact O-CA 3.27Å; V2170-T2187 WeakPolarHBondContact O-CA 3.31Å; V2170-T2187 WeakPolarHBondContact O-CG2 3.28Å; V2170-F2188 HydrophobicContact CG2-CB 4.45Å; V2170-F2188 PolarHBondContact N-O 2.9Å; V2170-F2188 PolarHBondContact O-N 2.93Å; V2170-Y2190 HydrophobicContact CG2-CD2 3.7Å; V2170-Y2190 HydrophobicContact CG2-CE2 3.7Å |
| 2171 | P | 92.7 | Very high | 87 | Confident | 62 Ų | 62 | 52.9 Ų | 52.9 | 40% | 0.403 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 151.3 | -178.3 | 29.8 | -35.5 | 0 | 0 | 0 | 112.7 | V2142 G2143 F2186 | V2142-P2171 CarbonylContact C-O 3.47Å; V2142-P2171 WeakPolarHBondContact CA-O 3.48Å; G2143-P2171 PolarHBondContact N-O 3.03Å; P2171-F2186 WeakPolarHBondContact CA-O 3.14Å |
| 2172 | I | 93.5 | Very high | 86.8 | Confident | 7.6 Ų | 7.6 | 53 Ų | 53 | 4% | 0.039 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 123.5 | 171.5 | -53.9 | 177.6 | 0 | 0 | 0 | 108.3 | V2114 L2117 L2127 I2129 V2140 T2141 V2142 F2186 F2188 | V2114-I2172 HydrophobicContact CB-CD1 4.17Å; V2114-I2172 HydrophobicContact CG1-CD1 3.62Å; V2114-I2172 HydrophobicContact CG2-CD1 4.24Å; L2117-I2172 HydrophobicContact CD2-CD1 4.14Å; L2127-I2172 HydrophobicContact CD1-CD1 4.45Å; I2129-I2172 HydrophobicContact CD1-CG2 4.2Å; V2140-I2172 HydrophobicContact CG1-CG2 4.32Å; T2141-I2172 WeakPolarHBondContact O-CA 3.37Å; V2142-I2172 HydrophobicContact CG1-CG1 4.4Å; V2142-I2172 HydrophobicContact CG2-CG1 4.42Å; V2142-I2172 HydrophobicContact CG2-CG2 4.46Å; I2172-F2186 HydrophobicContact CB-CB 4.38Å; I2172-F2186 HydrophobicContact CD1-CB 4.24Å; I2172-F2186 PolarHBondContact N-O 2.95Å; I2172-F2188 HydrophobicContact CD1-CB 4.02Å; I2172-F2188 HydrophobicContact CG1-CB 4Å |
| 2173 | E | 91.6 | Very high | 86.7 | Confident | 66.6 Ų | 66.6 | 53.5 Ų | 53.5 | 31% | 0.311 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 137.8 | 178.5 | -51 | -159.7 | 152.3 | 0 | 0 | 111.1 | V2140 T2141 K2181 | V2140-E2173 CarbonylContact C-O 3.55Å; V2140-E2173 WeakPolarHBondContact CA-O 3.36Å; T2141-E2173 PolarHBondContact N-O 2.89Å; T2141-E2173 VanDerWaalsContact N-O 3.08Å; T2141-E2173 PolarHBondContact O-N 3.08Å; E2173-K2181 VanDerWaalsContact CD-NZ 3.32Å; E2173-K2181 IonicContact OE1-NZ 3.02Å; E2173-K2181 PolarHBondContact OE1-NZ 3Å; E2173-K2181 IonicContact OE2-NZ 3.79Å; E2173-K2181 PolarHBondContact OE2-NZ 3.03Å |
| 2174 | V | 92.9 | Very high | 86.5 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 126.5 | 175.9 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | I2111 I2129 F2134 T2138 T2139 V2140 I2157 K2181 A2182 | I2111-V2174 HydrophobicContact CD1-CB 3.94Å; I2111-V2174 HydrophobicContact CD1-CG2 3.48Å; I2111-V2174 VanDerWaalsContact CD1-CG2 3.47Å; I2111-V2174 HydrophobicContact CG1-CB 4.42Å; I2111-V2174 HydrophobicContact CG1-CG2 4.16Å; I2129-V2174 HydrophobicContact CD1-CG2 4.06Å; I2129-V2174 HydrophobicContact CG2-CG2 4.33Å; F2134-V2174 HydrophobicContact CD1-CG1 4.28Å; F2134-V2174 HydrophobicContact CE1-CG1 3.95Å; T2138-V2174 HydrophobicContact CG2-CG1 3.45Å; T2138-V2174 VanDerWaalsContact CG2-CG1 3.44Å; T2139-V2174 WeakPolarHBondContact O-CA 3.32Å; V2140-V2174 HydrophobicContact CG1-CG2 4.28Å; V2140-V2174 HydrophobicContact CG2-CG1 4.42Å; V2140-V2174 HydrophobicContact CG2-CG2 4.11Å; I2157-V2174 HydrophobicContact CD1-CG1 3.74Å; I2157-V2174 HydrophobicContact CD1-CG2 4.21Å; V2174-K2181 CarbonylContact O-C 3.55Å; V2174-K2181 WeakPolarHBondContact O-CA 3.38Å; V2174-A2182 HydrophobicContact CB-CB 3.96Å; V2174-A2182 HydrophobicContact CG1-CB 4.28Å; V2174-A2182 PolarHBondContact O-N 2.97Å |
| 2175 | I | 90.5 | Very high | 86.5 | Confident | 50 Ų | 50 | 53.8 Ų | 53.8 | 26% | 0.256 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 128.4 | 179.6 | -58.1 | 176.7 | 0 | 0 | 0 | 108.4 | T2138 T2139 K2181 | T2138-I2175 CarbonylContact C-O 3.54Å; T2138-I2175 VanDerWaalsContact CA-O 3.28Å; T2138-I2175 WeakPolarHBondContact CA-O 3.33Å; T2139-I2175 PolarHBondContact N-O 2.88Å; T2139-I2175 PolarHBondContact O-N 2.97Å; T2139-I2175 PolarHBondContact OG1-O 2.97Å; I2175-K2181 HydrophobicContact CD1-CG 4.24Å; I2175-K2181 HydrophobicContact CG1-CB 4.45Å; I2175-K2181 HydrophobicContact CG1-CG 4.17Å |
| 2176 | V | 90.4 | Very high | 87.1 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 119 | 173.4 | -177.9 | 0 | 0 | 0 | 0 | 107.4 | P2109 F2134 D2135 T2138 N2178 N2179 G2180 | P2109-V2176 HydrophobicContact CB-CG2 4.09Å; P2109-V2176 HydrophobicContact CG-CB 4.32Å; P2109-V2176 HydrophobicContact CG-CG2 3.9Å; F2134-V2176 HydrophobicContact CD1-CG2 4.35Å; D2135-V2176 WeakPolarHBondContact OD1-CG1 3.18Å; D2135-V2176 WeakPolarHBondContact OD2-CG1 3.38Å; T2138-V2176 HydrophobicContact CG2-CG2 4.1Å; V2176-N2178 VanDerWaalsContact C-N 3.29Å; V2176-N2178 PolarHBondContact O-N 3.15Å; V2176-N2178 VanDerWaalsContact O-N 3.1Å; V2176-N2179 HydrophobicContact CB-CB 3.97Å; V2176-N2179 HydrophobicContact CG1-CB 3.93Å; V2176-N2179 PolarHBondContact O-N 3.07Å; V2176-G2180 PolarHBondContact N-O 3.32Å; V2176-G2180 PolarHBondContact O-N 2.9Å |
| 2177 | E | 82.3 | Confident | 87.8 | Confident | 115.6 Ų | 115.6 | 50.1 Ų | 50.1 | 54% | 0.54 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -44.9 | -166.6 | -168.5 | -179.2 | 177.8 | 0 | 0 | 113.4 | Q2032 S2137 | Q2032-E2177 VanDerWaalsContact CG-O 3.29Å; Q2032-E2177 WeakPolarHBondContact CG-O 3.47Å; Q2032-E2177 PolarHBondContact NE2-O 3.09Å; S2137-E2177 VanDerWaalsContact CB-CB 3.43Å; S2137-E2177 WeakPolarHBondContact CB-OE2 3.26Å; S2137-E2177 PolarHBondContact O-N 3.06Å; S2137-E2177 VanDerWaalsContact OG-CB 3.3Å; S2137-E2177 WeakPolarHBondContact OG-CB 3.22Å; S2137-E2177 PolarHBondContact OG-N 3Å; S2137-E2177 VanDerWaalsContact OG-N 3.13Å |
| 2178 | N | 79.3 | Confident | 88.3 | Confident | 80.2 Ų | 80.2 | 48.9 Ų | 48.9 | 43% | 0.429 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -8.5 | -177.6 | -69 | -49 | 0 | 0 | 0 | 115.2 | Q2032 V2176 | Q2032-N2178 VanDerWaalsContact NE2-C 3.31Å; Q2032-N2178 VanDerWaalsContact NE2-CA 3.31Å; Q2032-N2178 PolarHBondContact NE2-O 2.96Å; V2176-N2178 VanDerWaalsContact C-N 3.29Å; V2176-N2178 PolarHBondContact O-N 3.15Å; V2176-N2178 VanDerWaalsContact O-N 3.1Å |
| 2179 | N | 84.1 | Confident | 88.6 | Confident | 20.8 Ų | 20.8 | 49.8 Ų | 49.8 | 11% | 0.111 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.9 | -21.7 | -170 | -75.9 | -8 | 0 | 0 | 0 | 113 | G2027 L2107 P2109 V2176 | G2027-N2179 VanDerWaalsContact CA-O 3.27Å; G2027-N2179 WeakPolarHBondContact CA-O 3.26Å; G2027-N2179 PolarHBondContact N-O 2.96Å; G2027-N2179 VanDerWaalsContact N-O 3.16Å; L2107-N2179 VanDerWaalsContact O-CB 3.27Å; L2107-N2179 WeakPolarHBondContact O-CB 3.3Å; L2107-N2179 PolarHBondContact O-ND2 2.94Å; P2109-N2179 HydrophobicContact CG-CB 4.35Å; V2176-N2179 HydrophobicContact CB-CB 3.97Å; V2176-N2179 HydrophobicContact CG1-CB 3.93Å; V2176-N2179 PolarHBondContact O-N 3.07Å |
| 2180 | G | 87 | Confident | 88.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.7 | -162.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | G2030 P2109 V2176 | G2030-G2180 CarbonylContact O-C 3.53Å; G2030-G2180 VanDerWaalsContact O-CA 3.24Å; G2030-G2180 WeakPolarHBondContact O-CA 3.3Å; P2109-G2180 WeakPolarHBondContact CG-O 3.32Å; V2176-G2180 PolarHBondContact N-O 3.32Å; V2176-G2180 PolarHBondContact O-N 2.9Å |
| 2181 | K | 89.3 | Confident | 88.5 | Confident | 69.8 Ų | 69.8 | 42 Ų | 42 | 30% | 0.303 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 138 | -176.4 | -159.8 | 172.2 | -177.4 | 171.8 | 0 | 111.2 | E2029 G2030 E2173 V2174 I2175 | E2029-K2181 HydrophobicContact CB-CB 4.4Å; E2029-K2181 VanDerWaalsContact CB-O 3.27Å; E2029-K2181 WeakPolarHBondContact CB-O 3.37Å; G2030-K2181 WeakPolarHBondContact O-CB 3.24Å; G2030-K2181 PolarHBondContact O-N 3.15Å; E2173-K2181 VanDerWaalsContact CD-NZ 3.32Å; E2173-K2181 IonicContact OE1-NZ 3.02Å; E2173-K2181 PolarHBondContact OE1-NZ 3Å; E2173-K2181 IonicContact OE2-NZ 3.79Å; E2173-K2181 PolarHBondContact OE2-NZ 3.03Å; V2174-K2181 CarbonylContact O-C 3.55Å; V2174-K2181 WeakPolarHBondContact O-CA 3.38Å; I2175-K2181 HydrophobicContact CD1-CG 4.24Å; I2175-K2181 HydrophobicContact CG1-CB 4.45Å; I2175-K2181 HydrophobicContact CG1-CG 4.17Å |
| 2182 | A | 90.1 | Very high | 88.3 | Confident | 7.2 Ų | 7.2 | 40.3 Ų | 40.3 | 6% | 0.06 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 139.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | P2109 I2111 V2174 | P2109-A2182 HydrophobicContact CB-CB 3.89Å; P2109-A2182 HydrophobicContact CG-CB 4.05Å; P2109-A2182 CarbonylContact O-C 3.49Å; P2109-A2182 VanDerWaalsContact O-CA 3.27Å; P2109-A2182 WeakPolarHBondContact O-CA 3.3Å; I2111-A2182 HydrophobicContact CD1-CB 4.24Å; I2111-A2182 HydrophobicContact CG1-CB 3.82Å; V2174-A2182 HydrophobicContact CB-CB 3.96Å; V2174-A2182 HydrophobicContact CG1-CB 4.28Å; V2174-A2182 PolarHBondContact O-N 2.97Å |
| 2183 | S | 86.9 | Confident | 88.2 | Confident | 33.4 Ų | 33.4 | 43.9 Ų | 43.9 | 23% | 0.234 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -73.7 | 140.7 | 172.5 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | P2109 R2110 I2111 | P2109-S2183 PolarHBondContact O-N 3.06Å; P2109-S2183 PolarHBondContact O-OG 3.1Å; R2110-S2183 CarbonylContact C-O 3.56Å; R2110-S2183 WeakPolarHBondContact CA-O 3.48Å; R2110-S2183 WeakPolarHBondContact CA-OG 3.23Å; R2110-S2183 VanDerWaalsContact CB-OG 3.29Å; R2110-S2183 WeakPolarHBondContact CB-OG 3.33Å; R2110-S2183 VanDerWaalsContact CG-OG 3.31Å; R2110-S2183 WeakPolarHBondContact CG-OG 3.26Å; I2111-S2183 PolarHBondContact N-O 2.9Å |
| 2184 | G | 83.8 | Confident | 88.3 | Confident | 43.2 Ų | 43.2 | 40.8 Ų | 40.8 | 45% | 0.445 | 22% | 0.215 | S | C | . | . | trans | 140.3 | 143.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 2185 | N | 85.5 | Confident | 88.2 | Confident | 150.4 Ų | 150.4 | 42.9 Ų | 42.9 | 80% | 0.804 | 23% | 0.23 | S | C | * | . | trans | -119.9 | 97.4 | -179.5 | -155.2 | 7.2 | 0 | 0 | 0 | 110.2 | ||||
| 2186 | F | 91.6 | Very high | 88.1 | Confident | 49 Ų | 49 | 41.9 Ų | 41.9 | 22% | 0.215 | 23% | 0.227 | C | C | . | . | trans | -123 | 143 | 178.4 | -64.3 | -86.9 | 0 | 0 | 0 | 109.9 | I2111 F2112 V2114 P2171 I2172 | I2111-F2186 HydrophobicContact CB-CD2 4.3Å; I2111-F2186 HydrophobicContact CB-CE2 3.94Å; I2111-F2186 HydrophobicContact CG2-CD2 3.77Å; I2111-F2186 HydrophobicContact CG2-CE2 3.48Å; I2111-F2186 VanDerWaalsContact CG2-CE2 3.43Å; I2111-F2186 HydrophobicContact CG2-CZ 4.31Å; F2112-F2186 WeakPolarHBondContact O-CZ 3.32Å; V2114-F2186 HydrophobicContact CB-CB 4.46Å; V2114-F2186 HydrophobicContact CB-CD1 4.36Å; V2114-F2186 HydrophobicContact CB-CG 4.41Å; V2114-F2186 HydrophobicContact CG2-CB 4.03Å; V2114-F2186 HydrophobicContact CG2-CD1 4.15Å; V2114-F2186 HydrophobicContact CG2-CD2 4.03Å; V2114-F2186 HydrophobicContact CG2-CE2 4.38Å; V2114-F2186 HydrophobicContact CG2-CG 3.79Å; P2171-F2186 WeakPolarHBondContact CA-O 3.14Å; I2172-F2186 HydrophobicContact CB-CB 4.38Å; I2172-F2186 HydrophobicContact CD1-CB 4.24Å; I2172-F2186 PolarHBondContact N-O 2.95Å | ||
| 2187 | T | 91 | Very high | 87.9 | Confident | 71.4 Ų | 71.4 | 47 Ų | 47 | 44% | 0.438 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 136.6 | 177.9 | 39.3 | 0 | 0 | 0 | 0 | 110.6 | L2117 K2169 V2170 | L2117-T2187 WeakPolarHBondContact CD2-O 3.15Å; K2169-T2187 HydrophobicContact CB-CG2 3.71Å; K2169-T2187 HydrophobicContact CG-CG2 4.49Å; V2170-T2187 CarbonylContact O-C 3.51Å; V2170-T2187 VanDerWaalsContact O-CA 3.27Å; V2170-T2187 WeakPolarHBondContact O-CA 3.31Å; V2170-T2187 WeakPolarHBondContact O-CG2 3.28Å |
| 2188 | F | 91.6 | Very high | 87.9 | Confident | 0.2 Ų | 0.2 | 47.2 Ų | 47.2 | 0% | 0.001 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 138.3 | 175.2 | -172.1 | -102.9 | 0 | 0 | 0 | 110.1 | L2117 I2118 G2119 T2125 L2127 V2142 T2161 K2169 V2170 I2172 Y2190 | L2117-F2188 VanDerWaalsContact C-CD2 3.46Å; L2117-F2188 CarbonylContact O-C 3.49Å; L2117-F2188 WeakPolarHBondContact O-CA 3.39Å; I2118-F2188 VanDerWaalsContact C-CE2 3.48Å; I2118-F2188 VanDerWaalsContact C-CZ 3.46Å; I2118-F2188 WeakPolarHBondContact O-CE2 2.91Å; G2119-F2188 VanDerWaalsContact CA-CZ 3.45Å; G2119-F2188 VanDerWaalsContact N-CZ 3.29Å; T2125-F2188 HydrophobicContact CG2-CE2 4.38Å; T2125-F2188 HydrophobicContact CG2-CZ 4.16Å; L2127-F2188 HydrophobicContact CD1-CD2 4.35Å; L2127-F2188 HydrophobicContact CD1-CE2 4.44Å; L2127-F2188 HydrophobicContact CD2-CD2 3.85Å; L2127-F2188 HydrophobicContact CD2-CE2 3.44Å; L2127-F2188 VanDerWaalsContact CD2-CE2 3.46Å; L2127-F2188 HydrophobicContact CD2-CZ 4.15Å; L2127-F2188 HydrophobicContact CG-CE2 4.47Å; V2142-F2188 HydrophobicContact CG1-CB 3.46Å; V2142-F2188 VanDerWaalsContact CG1-CB 3.45Å; V2142-F2188 HydrophobicContact CG1-CD1 3.64Å; V2142-F2188 HydrophobicContact CG1-CD2 4.48Å; V2142-F2188 HydrophobicContact CG1-CE1 4.42Å; V2142-F2188 HydrophobicContact CG1-CG 3.72Å; T2161-F2188 HydrophobicContact CG2-CE1 4.09Å; T2161-F2188 HydrophobicContact CG2-CE2 4.34Å; T2161-F2188 HydrophobicContact CG2-CZ 3.93Å; K2169-F2188 CarbonylContact C-O 3.52Å; K2169-F2188 WeakPolarHBondContact CA-O 3.28Å; V2170-F2188 HydrophobicContact CG2-CB 4.45Å; V2170-F2188 PolarHBondContact N-O 2.9Å; V2170-F2188 PolarHBondContact O-N 2.93Å; I2172-F2188 HydrophobicContact CD1-CB 4.02Å; I2172-F2188 HydrophobicContact CG1-CB 4Å; F2188-Y2190 HydrophobicContact CD1-CD1 4.28Å; F2188-Y2190 AromaticContact CD1-CD2 3.92Å; F2188-Y2190 HydrophobicContact CD1-CD2 4.02Å; F2188-Y2190 HydrophobicContact CD1-CE1 4.24Å; F2188-Y2190 AromaticContact CD1-CE2 3.94Å; F2188-Y2190 HydrophobicContact CD1-CE2 3.97Å; F2188-Y2190 HydrophobicContact CD1-CG 4.21Å; F2188-Y2190 AromaticContact CD1-CZ 3.99Å; F2188-Y2190 AromaticContact CE1-CD1 3.89Å; F2188-Y2190 HydrophobicContact CE1-CD1 3.94Å; F2188-Y2190 HydrophobicContact CE1-CD2 4.41Å; F2188-Y2190 AromaticContact CE1-CE1 3.82Å; F2188-Y2190 HydrophobicContact CE1-CE1 3.87Å; F2188-Y2190 HydrophobicContact CE1-CE2 4.35Å; F2188-Y2190 HydrophobicContact CE1-CG 4.22Å |
| 2189 | Y | 88.8 | Confident | 88.2 | Confident | 53.2 Ų | 53.2 | 43.9 Ų | 43.9 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 108.3 | 176.7 | -169 | -161.9 | 0 | 0 | 0 | 111 | L2117 I2118 G2119 A2168 K2169 V2191 M2221 F2240 | L2117-Y2189 PolarHBondContact O-N 2.84Å; I2118-Y2189 WeakPolarHBondContact CA-O 3.24Å; I2118-Y2189 HydrophobicContact CD1-CD1 4.08Å; I2118-Y2189 HydrophobicContact CG1-CD1 4.31Å; I2118-Y2189 WeakPolarHBondContact CG1-O 3.29Å; G2119-Y2189 PolarHBondContact N-O 2.89Å; A2168-Y2189 WeakPolarHBondContact O-CD2 3.34Å; K2169-Y2189 HydrophobicContact CG-CD1 4.29Å; K2169-Y2189 HydrophobicContact CG-CD2 3.7Å; K2169-Y2189 HydrophobicContact CG-CE2 4.31Å; K2169-Y2189 HydrophobicContact CG-CG 3.87Å; Y2189-V2191 HydrophobicContact CD1-CB 4.29Å; Y2189-V2191 HydrophobicContact CD1-CG1 3.49Å; Y2189-V2191 VanDerWaalsContact CD1-CG1 3.49Å; Y2189-V2191 HydrophobicContact CD2-CG1 3.66Å; Y2189-V2191 HydrophobicContact CE1-CB 3.94Å; Y2189-V2191 HydrophobicContact CE1-CG1 3.48Å; Y2189-V2191 VanDerWaalsContact CE1-CG1 3.42Å; Y2189-V2191 HydrophobicContact CE1-CG2 4.34Å; Y2189-V2191 HydrophobicContact CE2-CB 4.37Å; Y2189-V2191 HydrophobicContact CE2-CG1 3.64Å; Y2189-V2191 HydrophobicContact CG-CG1 3.71Å; Y2189-V2191 VanDerWaalsContact CG-CG1 3.48Å; Y2189-V2191 VanDerWaalsContact CZ-CG1 3.45Å; Y2189-M2221 HydrophobicContact CE1-SD 4.23Å; Y2189-F2240 HydrophobicContact CE1-CE1 4.43Å; Y2189-F2240 HydrophobicContact CE1-CE2 4.25Å; Y2189-F2240 AromaticContact CE1-CZ 3.77Å; Y2189-F2240 HydrophobicContact CE1-CZ 4.16Å |
| 2190 | Y | 88.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 124.5 | 165.6 | -77.6 | -74.1 | 0 | 0 | 0 | 109.6 | G2119 G2120 V2142 A2145 G2162 H2164 S2167 A2168 V2170 F2188 | G2119-Y2190 CarbonylContact O-C 3.55Å; G2119-Y2190 WeakPolarHBondContact O-CA 3.3Å; G2120-Y2190 WeakPolarHBondContact O-CD1 3.33Å; V2142-Y2190 HydrophobicContact CB-CE2 4.37Å; V2142-Y2190 HydrophobicContact CG1-CE2 3.77Å; A2145-Y2190 VanDerWaalsContact CB-OH 3.24Å; A2145-Y2190 WeakPolarHBondContact CB-OH 3.49Å; G2162-Y2190 WeakPolarHBondContact O-CE1 3.41Å; G2162-Y2190 PolarHBondContact O-OH 3.15Å; H2164-Y2190 HydrophobicContact CB-CD1 3.59Å; H2164-Y2190 HydrophobicContact CB-CD2 3.52Å; H2164-Y2190 VanDerWaalsContact CB-CD2 3.49Å; H2164-Y2190 HydrophobicContact CB-CE1 3.66Å; H2164-Y2190 VanDerWaalsContact CB-CE1 3.44Å; H2164-Y2190 HydrophobicContact CB-CE2 3.59Å; H2164-Y2190 HydrophobicContact CB-CG 3.52Å; H2164-Y2190 VanDerWaalsContact CB-CG 3.5Å; H2164-Y2190 AromaticContact CD2-CD2 3.68Å; H2164-Y2190 AromaticContact CD2-CE2 3.71Å; H2164-Y2190 AromaticContact CG-CD2 3.39Å; H2164-Y2190 AromaticContact CG-CE2 3.7Å; H2164-Y2190 AromaticContact CG-CG 3.75Å; H2164-Y2190 AromaticContact ND1-CD2 3.86Å; H2164-Y2190 AromaticContact ND1-CG 3.91Å; S2167-Y2190 CarbonylContact C-O 3.52Å; S2167-Y2190 WeakPolarHBondContact CA-O 3.25Å; S2167-Y2190 VanDerWaalsContact CB-O 3.24Å; S2167-Y2190 WeakPolarHBondContact CB-O 3.4Å; A2168-Y2190 PolarHBondContact N-O 2.91Å; A2168-Y2190 VanDerWaalsContact N-O 3.07Å; A2168-Y2190 PolarHBondContact O-N 3.05Å; V2170-Y2190 HydrophobicContact CG2-CD2 3.7Å; V2170-Y2190 HydrophobicContact CG2-CE2 3.7Å; F2188-Y2190 HydrophobicContact CD1-CD1 4.28Å; F2188-Y2190 AromaticContact CD1-CD2 3.92Å; F2188-Y2190 HydrophobicContact CD1-CD2 4.02Å; F2188-Y2190 HydrophobicContact CD1-CE1 4.24Å; F2188-Y2190 AromaticContact CD1-CE2 3.94Å; F2188-Y2190 HydrophobicContact CD1-CE2 3.97Å; F2188-Y2190 HydrophobicContact CD1-CG 4.21Å; F2188-Y2190 AromaticContact CD1-CZ 3.99Å; F2188-Y2190 AromaticContact CE1-CD1 3.89Å; F2188-Y2190 HydrophobicContact CE1-CD1 3.94Å; F2188-Y2190 HydrophobicContact CE1-CD2 4.41Å; F2188-Y2190 AromaticContact CE1-CE1 3.82Å; F2188-Y2190 HydrophobicContact CE1-CE1 3.87Å; F2188-Y2190 HydrophobicContact CE1-CE2 4.35Å; F2188-Y2190 HydrophobicContact CE1-CG 4.22Å |
| 2191 | V | 86.7 | Confident | 88.3 | Confident | 0.2 Ų | 0.2 | 51.1 Ų | 51.1 | 0% | 0.001 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 146.3 | -178.3 | -46.4 | 0 | 0 | 0 | 0 | 112.2 | I2118 G2119 G2120 T2121 S2167 Y2189 R2193 M2221 F2240 | I2118-V2191 HydrophobicContact CD1-CG1 3.9Å; I2118-V2191 HydrophobicContact CD1-CG2 3.99Å; I2118-V2191 HydrophobicContact CG1-CG1 3.98Å; I2118-V2191 HydrophobicContact CG1-CG2 3.81Å; I2118-V2191 HydrophobicContact CG2-CG1 4.07Å; I2118-V2191 HydrophobicContact CG2-CG2 3.68Å; G2119-V2191 WeakPolarHBondContact O-CG2 3.3Å; G2119-V2191 PolarHBondContact O-N 3Å; G2120-V2191 CarbonylContact C-O 3.6Å; G2120-V2191 VanDerWaalsContact CA-O 3.3Å; G2120-V2191 WeakPolarHBondContact CA-O 3.34Å; T2121-V2191 PolarHBondContact N-O 3.06Å; T2121-V2191 VanDerWaalsContact N-O 3.1Å; S2167-V2191 WeakPolarHBondContact OG-CA 3.34Å; Y2189-V2191 HydrophobicContact CD1-CB 4.29Å; Y2189-V2191 HydrophobicContact CD1-CG1 3.49Å; Y2189-V2191 VanDerWaalsContact CD1-CG1 3.49Å; Y2189-V2191 HydrophobicContact CD2-CG1 3.66Å; Y2189-V2191 HydrophobicContact CE1-CB 3.94Å; Y2189-V2191 HydrophobicContact CE1-CG1 3.48Å; Y2189-V2191 VanDerWaalsContact CE1-CG1 3.42Å; Y2189-V2191 HydrophobicContact CE1-CG2 4.34Å; Y2189-V2191 HydrophobicContact CE2-CB 4.37Å; Y2189-V2191 HydrophobicContact CE2-CG1 3.64Å; Y2189-V2191 HydrophobicContact CG-CG1 3.71Å; Y2189-V2191 VanDerWaalsContact CG-CG1 3.48Å; Y2189-V2191 VanDerWaalsContact CZ-CG1 3.45Å; V2191-R2193 HydrophobicContact CG2-CG 4.19Å; V2191-R2193 PolarHBondContact O-N 3.07Å; V2191-M2221 HydrophobicContact CB-CB 4.39Å; V2191-M2221 HydrophobicContact CG1-CE 3.75Å; V2191-M2221 HydrophobicContact CG1-SD 4.26Å; V2191-M2221 HydrophobicContact CG2-CB 4.01Å; V2191-M2221 HydrophobicContact CG2-CE 4.1Å; V2191-M2221 HydrophobicContact CG2-CG 4.23Å; V2191-M2221 HydrophobicContact CG2-SD 4.17Å; V2191-F2240 HydrophobicContact CB-CZ 4.15Å; V2191-F2240 HydrophobicContact CG1-CZ 3.97Å; V2191-F2240 HydrophobicContact CG2-CE1 4.4Å; V2191-F2240 HydrophobicContact CG2-CE2 4.22Å; V2191-F2240 HydrophobicContact CG2-CZ 3.53Å |
| 2192 | D | 89.2 | Confident | 87.9 | Confident | 26.4 Ų | 26.4 | 52.8 Ų | 52.8 | 14% | 0.141 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 111.7 | 172.6 | -63.1 | -49.2 | 0 | 0 | 0 | 109.6 | T2121 S2167 T2199 N2219 I2220 M2221 | T2121-D2192 WeakPolarHBondContact CB-OD1 3.38Å; T2121-D2192 VanDerWaalsContact CG2-OD1 3.27Å; T2121-D2192 WeakPolarHBondContact CG2-OD1 3.35Å; T2121-D2192 PolarHBondContact N-OD1 3.03Å; T2121-D2192 VanDerWaalsContact N-OD1 3.1Å; T2121-D2192 PolarHBondContact OG1-OD1 3.16Å; T2121-D2192 PolarHBondContact OG1-OD2 3.3Å; S2167-D2192 VanDerWaalsContact OG-CG 3.24Å; S2167-D2192 PolarHBondContact OG-N 3.11Å; S2167-D2192 PolarHBondContact OG-OD2 3.04Å; D2192-T2199 WeakPolarHBondContact CA-OG1 3.22Å; D2192-T2199 HydrophobicContact CB-CG2 4.03Å; D2192-T2199 WeakPolarHBondContact CB-OG1 3.24Å; D2192-N2219 PolarHBondContact N-O 2.96Å; D2192-I2220 HydrophobicContact CB-CG1 4.41Å; D2192-I2220 CarbonylContact O-C 3.46Å; D2192-I2220 VanDerWaalsContact O-CA 3.28Å; D2192-I2220 WeakPolarHBondContact O-CA 3.3Å; D2192-M2221 PolarHBondContact O-N 3.17Å |
| 2193 | R | 90.6 | Very high | 87.7 | Confident | 82.4 Ų | 82.4 | 58.1 Ų | 58.1 | 31% | 0.311 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 132.2 | -177.2 | -64.3 | -176.1 | 121 | 178.5 | 1 | 110.6 | V2191 S2195 S2196 T2199 M2221 D2223 | V2191-R2193 HydrophobicContact CG2-CG 4.19Å; V2191-R2193 PolarHBondContact O-N 3.07Å; R2193-S2195 PolarHBondContact O-N 2.96Å; R2193-S2195 VanDerWaalsContact O-N 3.14Å; R2193-S2196 VanDerWaalsContact O-CB 3.26Å; R2193-S2196 WeakPolarHBondContact O-CB 3.32Å; R2193-S2196 PolarHBondContact O-N 3.02Å; R2193-T2199 PolarHBondContact N-OG1 3.03Å; R2193-T2199 VanDerWaalsContact N-OG1 3.17Å; R2193-T2199 VanDerWaalsContact O-CB 3.29Å; R2193-T2199 WeakPolarHBondContact O-CB 3.46Å; R2193-T2199 PolarHBondContact O-OG1 2.93Å; R2193-M2221 HydrophobicContact CG-CE 3.99Å; R2193-D2223 WeakPolarHBondContact CD-OD2 3.19Å; R2193-D2223 HydrophobicContact CG-CB 4.43Å; R2193-D2223 IonicContact CZ-OD2 3.22Å; R2193-D2223 IonicContact NE-OD2 3.28Å; R2193-D2223 PolarHBondContact NE-OD2 2.99Å; R2193-D2223 IonicContact NH2-OD2 3.85Å; R2193-D2223 PolarHBondContact NH2-OD2 2.85Å |
| 2194 | W | 93.4 | Very high | 87.8 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.008 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -38.6 | 174.7 | -174 | -71.8 | 0 | 0 | 0 | 112.4 | S2196 W2200 I2205 P2206 V2212 I2214 I2220 M2221 L2222 D2223 V2224 T2226 L2229 L2232 L2239 | W2194-S2196 PolarHBondContact O-N 3.08Å; W2194-W2200 HydrophobicContact CD2-CH2 4.35Å; W2194-W2200 AromaticContact CD2-CZ2 3.67Å; W2194-W2200 HydrophobicContact CD2-CZ2 3.67Å; W2194-W2200 AromaticContact CE2-CZ2 3.86Å; W2194-W2200 AromaticContact CE3-CH2 4Å; W2194-W2200 HydrophobicContact CE3-CH2 4.14Å; W2194-W2200 AromaticContact CE3-CZ2 3.82Å; W2194-W2200 HydrophobicContact CE3-CZ2 3.82Å; W2194-W2200 AromaticContact CG-CZ2 3.97Å; W2194-W2200 HydrophobicContact CG-CZ2 4.11Å; W2194-W2200 HydrophobicContact CH2-CH2 4.24Å; W2194-W2200 HydrophobicContact CH2-CZ2 4.37Å; W2194-W2200 HydrophobicContact CZ2-CH2 4.4Å; W2194-W2200 HydrophobicContact CZ2-CZ2 4.22Å; W2194-W2200 AromaticContact CZ3-CH2 3.96Å; W2194-W2200 HydrophobicContact CZ3-CH2 4.07Å; W2194-W2200 HydrophobicContact CZ3-CZ2 4.18Å; W2194-W2200 PolarHBondContact O-NE1 2.74Å; W2194-I2205 WeakPolarHBondContact O-CG2 3.37Å; W2194-P2206 HydrophobicContact CH2-CG 4.48Å; W2194-P2206 HydrophobicContact CZ2-CB 3.95Å; W2194-P2206 HydrophobicContact CZ2-CG 3.8Å; W2194-V2212 HydrophobicContact CH2-CB 4.32Å; W2194-V2212 HydrophobicContact CH2-CG1 3.76Å; W2194-V2212 HydrophobicContact CH2-CG2 4.23Å; W2194-V2212 HydrophobicContact CZ2-CG1 4.47Å; W2194-V2212 HydrophobicContact CZ2-CG2 4.4Å; W2194-V2212 HydrophobicContact CZ3-CG1 4.25Å; W2194-I2214 HydrophobicContact CZ3-CD1 4.47Å; W2194-I2220 HydrophobicContact CB-CG2 4.21Å; W2194-I2220 HydrophobicContact CE3-CG2 4.01Å; W2194-M2221 WeakPolarHBondContact CB-O 3.33Å; W2194-M2221 PolarHBondContact N-O 2.92Å; W2194-L2222 HydrophobicContact CB-CD1 3.96Å; W2194-L2222 HydrophobicContact CD2-CD1 3.54Å; W2194-L2222 HydrophobicContact CE3-CD1 3.68Å; W2194-L2222 HydrophobicContact CG-CD1 3.67Å; W2194-L2222 HydrophobicContact CZ3-CD1 4.38Å; W2194-D2223 PolarHBondContact N-OD1 2.84Å; W2194-D2223 VanDerWaalsContact N-OD1 3.13Å; W2194-V2224 HydrophobicContact CB-CG2 4.46Å; W2194-V2224 HydrophobicContact CG-CG2 4.35Å; W2194-T2226 HydrophobicContact CD2-CG2 4.48Å; W2194-T2226 HydrophobicContact CH2-CG2 4.14Å; W2194-T2226 HydrophobicContact CZ2-CG2 3.71Å; W2194-L2229 HydrophobicContact CH2-CD1 3.87Å; W2194-L2229 HydrophobicContact CZ2-CD1 4.08Å; W2194-L2232 HydrophobicContact CH2-CD1 4.4Å; W2194-L2232 HydrophobicContact CZ3-CD1 4.4Å; W2194-L2239 HydrophobicContact CE3-CD1 4.14Å; W2194-L2239 HydrophobicContact CZ3-CD1 4.23Å |
| 2195 | S | 92 | Very high | 88.3 | Confident | 45.8 Ų | 45.8 | 62.2 Ų | 62.2 | 32% | 0.32 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -8.7 | 179 | 75.3 | 0 | 0 | 0 | 0 | 115 | R2193 D2223 | R2193-S2195 PolarHBondContact O-N 2.96Å; R2193-S2195 VanDerWaalsContact O-N 3.14Å; S2195-D2223 WeakPolarHBondContact CB-OD1 3.42Å; S2195-D2223 WeakPolarHBondContact CB-OD2 3.32Å; S2195-D2223 PolarHBondContact N-OD1 2.94Å; S2195-D2223 VanDerWaalsContact OG-CG 3.28Å; S2195-D2223 PolarHBondContact OG-OD1 3.23Å; S2195-D2223 VanDerWaalsContact OG-OD1 3.09Å; S2195-D2223 PolarHBondContact OG-OD2 3.25Å; S2195-D2223 VanDerWaalsContact OG-OD2 3.05Å |
| 2196 | S | 87.7 | Confident | 88.7 | Confident | 28 Ų | 28 | 55.6 Ų | 55.6 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | trans | -91.2 | 125.7 | -176.8 | -176.1 | 0 | 0 | 0 | 0 | 111 | R2193 W2194 F2198 T2199 W2200 | R2193-S2196 VanDerWaalsContact O-CB 3.26Å; R2193-S2196 WeakPolarHBondContact O-CB 3.32Å; R2193-S2196 PolarHBondContact O-N 3.02Å; W2194-S2196 PolarHBondContact O-N 3.08Å; S2196-F2198 PolarHBondContact O-N 2.86Å; S2196-F2198 VanDerWaalsContact O-N 3.17Å; S2196-F2198 WeakPolarHBondContact OG-CB 3.32Å; S2196-F2198 WeakPolarHBondContact OG-CD2 3.25Å; S2196-F2198 PolarHBondContact OG-N 3.05Å; S2196-T2199 VanDerWaalsContact O-CB 3.3Å; S2196-T2199 WeakPolarHBondContact O-CB 3.32Å; S2196-T2199 PolarHBondContact O-N 3.28Å; S2196-T2199 VanDerWaalsContact O-N 3.09Å; S2196-W2200 VanDerWaalsContact O-CD1 3.24Å | ||
| 2197 | Q | 85.3 | Confident | 88.8 | Confident | 108.6 Ų | 108.6 | 57.2 Ų | 57.2 | 51% | 0.507 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -58.8 | -28.4 | 170.7 | -28.4 | -177.9 | -7.4 | 0 | 0 | 112.2 | T2199 W2200 N2202 Q2203 | Q2197-T2199 PolarHBondContact O-N 2.96Å; Q2197-W2200 CarbonylContact O-C 3.52Å; Q2197-W2200 PolarHBondContact O-N 2.87Å; Q2197-N2202 VanDerWaalsContact O-CA 3.26Å; Q2197-N2202 WeakPolarHBondContact O-CA 3.29Å; Q2197-N2202 PolarHBondContact O-N 3.18Å; Q2197-Q2203 WeakPolarHBondContact CB-O 3.4Å; Q2197-Q2203 WeakPolarHBondContact CG-O 3.43Å |
| 2198 | F | 82.6 | Confident | 89 | Confident | 119.8 Ų | 119.8 | 59.4 Ų | 59.4 | 53% | 0.525 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -63.8 | -29.2 | 177 | -76.8 | -80.7 | 0 | 0 | 0 | 112.6 | S2196 W2200 D2201 N2202 | S2196-F2198 PolarHBondContact O-N 2.86Å; S2196-F2198 VanDerWaalsContact O-N 3.17Å; S2196-F2198 WeakPolarHBondContact OG-CB 3.32Å; S2196-F2198 WeakPolarHBondContact OG-CD2 3.25Å; S2196-F2198 PolarHBondContact OG-N 3.05Å; F2198-W2200 PolarHBondContact O-N 3.09Å; F2198-D2201 PolarHBondContact O-N 3.32Å; F2198-N2202 WeakPolarHBondContact CD1-OD1 3.24Å; F2198-N2202 VanDerWaalsContact CE1-OD1 3.32Å; F2198-N2202 WeakPolarHBondContact CE1-OD1 3.42Å |
| 2199 | T | 86.9 | Confident | 89.2 | Confident | 9.4 Ų | 9.4 | 63.6 Ų | 63.6 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -67.9 | -22 | 175 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | D2192 R2193 S2196 Q2197 I2220 | D2192-T2199 WeakPolarHBondContact CA-OG1 3.22Å; D2192-T2199 HydrophobicContact CB-CG2 4.03Å; D2192-T2199 WeakPolarHBondContact CB-OG1 3.24Å; R2193-T2199 PolarHBondContact N-OG1 3.03Å; R2193-T2199 VanDerWaalsContact N-OG1 3.17Å; R2193-T2199 VanDerWaalsContact O-CB 3.29Å; R2193-T2199 WeakPolarHBondContact O-CB 3.46Å; R2193-T2199 PolarHBondContact O-OG1 2.93Å; S2196-T2199 VanDerWaalsContact O-CB 3.3Å; S2196-T2199 WeakPolarHBondContact O-CB 3.32Å; S2196-T2199 PolarHBondContact O-N 3.28Å; S2196-T2199 VanDerWaalsContact O-N 3.09Å; Q2197-T2199 PolarHBondContact O-N 2.96Å; T2199-I2220 HydrophobicContact CG2-CD1 3.94Å; T2199-I2220 HydrophobicContact CG2-CG1 4.03Å; T2199-I2220 HydrophobicContact CG2-CG2 4.25Å |
| 2200 | W | 88.3 | Confident | 89.5 | Confident | 33.6 Ų | 33.6 | 64.2 Ų | 64.2 | 13% | 0.127 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -113.8 | 38.6 | -177.1 | -51.1 | 105.3 | 0 | 0 | 0 | 111.5 | W2194 S2196 Q2197 F2198 N2202 Q2203 P2206 V2212 I2220 | W2194-W2200 HydrophobicContact CD2-CH2 4.35Å; W2194-W2200 AromaticContact CD2-CZ2 3.67Å; W2194-W2200 HydrophobicContact CD2-CZ2 3.67Å; W2194-W2200 AromaticContact CE2-CZ2 3.86Å; W2194-W2200 AromaticContact CE3-CH2 4Å; W2194-W2200 HydrophobicContact CE3-CH2 4.14Å; W2194-W2200 AromaticContact CE3-CZ2 3.82Å; W2194-W2200 HydrophobicContact CE3-CZ2 3.82Å; W2194-W2200 AromaticContact CG-CZ2 3.97Å; W2194-W2200 HydrophobicContact CG-CZ2 4.11Å; W2194-W2200 HydrophobicContact CH2-CH2 4.24Å; W2194-W2200 HydrophobicContact CH2-CZ2 4.37Å; W2194-W2200 HydrophobicContact CZ2-CH2 4.4Å; W2194-W2200 HydrophobicContact CZ2-CZ2 4.22Å; W2194-W2200 AromaticContact CZ3-CH2 3.96Å; W2194-W2200 HydrophobicContact CZ3-CH2 4.07Å; W2194-W2200 HydrophobicContact CZ3-CZ2 4.18Å; W2194-W2200 PolarHBondContact O-NE1 2.74Å; S2196-W2200 VanDerWaalsContact O-CD1 3.24Å; Q2197-W2200 CarbonylContact O-C 3.52Å; Q2197-W2200 PolarHBondContact O-N 2.87Å; F2198-W2200 PolarHBondContact O-N 3.09Å; W2200-N2202 VanDerWaalsContact C-N 3.26Å; W2200-N2202 PolarHBondContact O-N 3.18Å; W2200-Q2203 HydrophobicContact CB-CB 4.45Å; W2200-Q2203 WeakPolarHBondContact O-CA 3.37Å; W2200-Q2203 WeakPolarHBondContact O-CB 3.41Å; W2200-Q2203 VanDerWaalsContact O-CG 3.3Å; W2200-Q2203 WeakPolarHBondContact O-CG 3.41Å; W2200-Q2203 PolarHBondContact O-N 2.88Å; W2200-P2206 HydrophobicContact CD2-CG 4.05Å; W2200-P2206 HydrophobicContact CE3-CG 4.2Å; W2200-P2206 HydrophobicContact CH2-CG 3.74Å; W2200-P2206 HydrophobicContact CZ2-CG 3.55Å; W2200-P2206 HydrophobicContact CZ3-CG 4.06Å; W2200-V2212 HydrophobicContact CH2-CG1 3.53Å; W2200-V2212 VanDerWaalsContact CH2-CG1 3.49Å; W2200-V2212 HydrophobicContact CZ3-CG1 3.76Å; W2200-I2220 HydrophobicContact CH2-CD1 3.99Å; W2200-I2220 HydrophobicContact CZ2-CD1 4.46Å; W2200-I2220 HydrophobicContact CZ3-CD1 4.38Å |
| 2201 | D | 84 | Confident | 89.9 | Confident | 138.8 Ų | 138.8 | 69.6 Ų | 69.6 | 74% | 0.742 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 39 | 179 | -60.3 | -40.4 | 0 | 0 | 0 | 113.8 | F2198 Q2203 | F2198-D2201 PolarHBondContact O-N 3.32Å; D2201-Q2203 PolarHBondContact O-N 2.93Å |
| 2202 | N | 81.5 | Confident | 90.4 | Very high | 104.8 Ų | 104.8 | 69.8 Ų | 69.8 | 56% | 0.56 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 20.4 | -172.7 | -62.8 | -49 | 0 | 0 | 0 | 114.6 | Q2197 F2198 W2200 | Q2197-N2202 VanDerWaalsContact O-CA 3.26Å; Q2197-N2202 WeakPolarHBondContact O-CA 3.29Å; Q2197-N2202 PolarHBondContact O-N 3.18Å; F2198-N2202 WeakPolarHBondContact CD1-OD1 3.24Å; F2198-N2202 VanDerWaalsContact CE1-OD1 3.32Å; F2198-N2202 WeakPolarHBondContact CE1-OD1 3.42Å; W2200-N2202 VanDerWaalsContact C-N 3.26Å; W2200-N2202 PolarHBondContact O-N 3.18Å |
| 2203 | Q | 85.9 | Confident | 90.8 | Very high | 120 Ų | 120 | 70.7 Ų | 70.7 | 56% | 0.561 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -84.5 | 162.4 | 168.3 | -57.3 | -55.7 | -56.2 | 0 | 0 | 110.9 | Q2197 W2200 D2201 | Q2197-Q2203 WeakPolarHBondContact CB-O 3.4Å; Q2197-Q2203 WeakPolarHBondContact CG-O 3.43Å; W2200-Q2203 HydrophobicContact CB-CB 4.45Å; W2200-Q2203 WeakPolarHBondContact O-CA 3.37Å; W2200-Q2203 WeakPolarHBondContact O-CB 3.41Å; W2200-Q2203 VanDerWaalsContact O-CG 3.3Å; W2200-Q2203 WeakPolarHBondContact O-CG 3.41Å; W2200-Q2203 PolarHBondContact O-N 2.88Å; D2201-Q2203 PolarHBondContact O-N 2.93Å |
| 2204 | P | 88.7 | Confident | 91 | Very high | 95.4 Ų | 95.4 | 66.8 Ų | 66.8 | 62% | 0.619 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 144.2 | 169.3 | -24.8 | 35.1 | 0 | 0 | 0 | 111.7 | ||
| 2205 | I | 92.9 | Very high | 91 | Very high | 67.2 Ų | 67.2 | 70.2 Ų | 70.2 | 35% | 0.345 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 151.7 | 172.4 | 63.4 | 173.9 | 0 | 0 | 0 | 110.4 | W2194 V2207 | W2194-I2205 WeakPolarHBondContact O-CG2 3.37Å; I2205-V2207 PolarHBondContact O-N 2.93Å |
| 2206 | P | 94.9 | Very high | 90.9 | Very high | 11.8 Ų | 11.8 | 70.8 Ų | 70.8 | 8% | 0.077 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -53.2 | 133.5 | -179.1 | -29.3 | 34.9 | 0 | 0 | 0 | 113.5 | W2194 W2200 D2210 V2212 P2227 L2229 | W2194-P2206 HydrophobicContact CH2-CG 4.48Å; W2194-P2206 HydrophobicContact CZ2-CB 3.95Å; W2194-P2206 HydrophobicContact CZ2-CG 3.8Å; W2200-P2206 HydrophobicContact CD2-CG 4.05Å; W2200-P2206 HydrophobicContact CE3-CG 4.2Å; W2200-P2206 HydrophobicContact CH2-CG 3.74Å; W2200-P2206 HydrophobicContact CZ2-CG 3.55Å; W2200-P2206 HydrophobicContact CZ3-CG 4.06Å; P2206-D2210 WeakPolarHBondContact CA-OD2 3.38Å; P2206-D2210 HydrophobicContact CB-CB 4.46Å; P2206-V2212 HydrophobicContact CB-CG2 3.62Å; P2206-V2212 HydrophobicContact CG-CG1 4.41Å; P2206-V2212 HydrophobicContact CG-CG2 3.81Å; P2206-P2227 WeakPolarHBondContact O-CG 3.3Å; P2206-L2229 HydrophobicContact CB-CD2 4.25Å |
| 2207 | V | 94.7 | Very high | 90.6 | Very high | 82.2 Ų | 82.2 | 76.8 Ų | 76.8 | 50% | 0.498 | 41% | 0.405 | S | S | . | . | trans | -108.1 | 177.7 | 179.5 | -62.1 | 0 | 0 | 0 | 0 | 111.8 | I2205 N2209 D2210 P2227 | I2205-V2207 PolarHBondContact O-N 2.93Å; V2207-N2209 PolarHBondContact O-N 3.08Å; V2207-D2210 VanDerWaalsContact CG2-OD2 3.31Å; V2207-D2210 WeakPolarHBondContact CG2-OD2 3.31Å; V2207-D2210 PolarHBondContact N-OD2 3.28Å; V2207-D2210 WeakPolarHBondContact O-CB 3.38Å; V2207-D2210 PolarHBondContact O-N 3.11Å; V2207-D2210 VanDerWaalsContact O-N 3.17Å; V2207-P2227 VanDerWaalsContact C-CG 3.41Å | ||
| 2208 | E | 95.2 | Very high | 90.7 | Very high | 118.4 Ų | 118.4 | 74 Ų | 74 | 55% | 0.553 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 136.3 | -179 | -163.5 | -176.9 | 164 | 0 | 0 | 112.1 | D2210 P2227 I2228 | E2208-D2210 VanDerWaalsContact C-N 3.27Å; E2208-D2210 PolarHBondContact O-N 3.04Å; E2208-P2227 HydrophobicContact CB-CB 4.09Å; E2208-I2228 HydrophobicContact CG-CB 4.21Å |
| 2209 | N | 94.2 | Very high | 91.1 | Very high | 88.4 Ų | 88.4 | 70.6 Ų | 70.6 | 47% | 0.473 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 7.8 | -175.2 | -56.4 | -68.8 | 0 | 0 | 0 | 116.4 | V2207 I2228 S2230 | V2207-N2209 PolarHBondContact O-N 3.08Å; N2209-I2228 PolarHBondContact N-O 3.03Å; N2209-S2230 WeakPolarHBondContact O-CB 3.31Å; N2209-S2230 PolarHBondContact O-OG 3.18Å |
| 2210 | D | 96.5 | Very high | 91.4 | Very high | 64 Ų | 64 | 70.1 Ų | 70.1 | 34% | 0.342 | 38% | 0.376 | S | S | . | . | trans | -68 | 147.6 | 173.7 | -77.3 | -11.6 | 0 | 0 | 0 | 112.6 | P2206 V2207 E2208 V2212 S2230 | P2206-D2210 WeakPolarHBondContact CA-OD2 3.38Å; P2206-D2210 HydrophobicContact CB-CB 4.46Å; V2207-D2210 VanDerWaalsContact CG2-OD2 3.31Å; V2207-D2210 WeakPolarHBondContact CG2-OD2 3.31Å; V2207-D2210 PolarHBondContact N-OD2 3.28Å; V2207-D2210 WeakPolarHBondContact O-CB 3.38Å; V2207-D2210 PolarHBondContact O-N 3.11Å; V2207-D2210 VanDerWaalsContact O-N 3.17Å; E2208-D2210 VanDerWaalsContact C-N 3.27Å; E2208-D2210 PolarHBondContact O-N 3.04Å; D2210-V2212 HydrophobicContact CB-CG2 4.39Å; D2210-S2230 VanDerWaalsContact C-OG 3.25Å; D2210-S2230 PolarHBondContact O-N 2.93Å; D2210-S2230 PolarHBondContact O-OG 3.22Å; D2210-S2230 VanDerWaalsContact O-OG 3.06Å | ||
| 2211 | F | 96.7 | Very high | 91.7 | Very high | 113.4 Ų | 113.4 | 68.7 Ų | 68.7 | 50% | 0.497 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 107.8 | 168.4 | -171.8 | -66.8 | 0 | 0 | 0 | 108 | V2213 S2230 M2231 L2233 | F2211-V2213 HydrophobicContact CD1-CG2 3.74Å; F2211-V2213 HydrophobicContact CE1-CG2 3.54Å; F2211-V2213 VanDerWaalsContact CE1-CG2 3.44Å; F2211-S2230 PolarHBondContact N-OG 2.97Å; F2211-M2231 WeakPolarHBondContact CA-O 3.32Å; F2211-M2231 HydrophobicContact CD2-CB 3.63Å; F2211-M2231 HydrophobicContact CD2-CG 4.19Å; F2211-M2231 HydrophobicContact CD2-SD 4.18Å; F2211-M2231 HydrophobicContact CE1-CG 4.44Å; F2211-M2231 HydrophobicContact CE2-CB 3.72Å; F2211-M2231 HydrophobicContact CE2-CE 4.45Å; F2211-M2231 HydrophobicContact CE2-CG 3.77Å; F2211-M2231 HydrophobicContact CE2-SD 3.29Å; F2211-M2231 WeakPolarHBondContact CE2-SD 3.18Å; F2211-M2231 HydrophobicContact CG-CB 4.21Å; F2211-M2231 HydrophobicContact CZ-CB 4.28Å; F2211-M2231 HydrophobicContact CZ-CE 4.27Å; F2211-M2231 HydrophobicContact CZ-CG 4.01Å; F2211-M2231 HydrophobicContact CZ-SD 3.61Å; F2211-M2231 VanDerWaalsContact CZ-SD 3.55Å; F2211-M2231 WeakPolarHBondContact CZ-SD 3.45Å; F2211-L2233 HydrophobicContact CE1-CB 3.94Å; F2211-L2233 HydrophobicContact CE1-CD2 4.11Å; F2211-L2233 HydrophobicContact CZ-CB 4.21Å; F2211-L2233 HydrophobicContact CZ-CD2 4.19Å |
| 2212 | V | 97.1 | Very high | 92.3 | Very high | 5.8 Ų | 5.8 | 62.1 Ų | 62.1 | 4% | 0.035 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 130 | -175.5 | -177.4 | 0 | 0 | 0 | 0 | 110.2 | W2194 W2200 P2206 D2210 L2229 M2231 L2232 L2233 | W2194-V2212 HydrophobicContact CH2-CB 4.32Å; W2194-V2212 HydrophobicContact CH2-CG1 3.76Å; W2194-V2212 HydrophobicContact CH2-CG2 4.23Å; W2194-V2212 HydrophobicContact CZ2-CG1 4.47Å; W2194-V2212 HydrophobicContact CZ2-CG2 4.4Å; W2194-V2212 HydrophobicContact CZ3-CG1 4.25Å; W2200-V2212 HydrophobicContact CH2-CG1 3.53Å; W2200-V2212 VanDerWaalsContact CH2-CG1 3.49Å; W2200-V2212 HydrophobicContact CZ3-CG1 3.76Å; P2206-V2212 HydrophobicContact CB-CG2 3.62Å; P2206-V2212 HydrophobicContact CG-CG1 4.41Å; P2206-V2212 HydrophobicContact CG-CG2 3.81Å; D2210-V2212 HydrophobicContact CB-CG2 4.39Å; V2212-L2229 HydrophobicContact CB-CD1 4.44Å; V2212-L2229 HydrophobicContact CG2-CD1 3.98Å; V2212-L2229 HydrophobicContact CG2-CD2 3.86Å; V2212-L2229 HydrophobicContact CG2-CG 4.47Å; V2212-M2231 PolarHBondContact N-O 3.23Å; V2212-L2232 HydrophobicContact CB-CD1 4.09Å; V2212-L2232 HydrophobicContact CG1-CD1 4Å; V2212-L2233 PolarHBondContact O-N 2.82Å |
| 2213 | V | 96.9 | Very high | 92.9 | Very high | 44.4 Ų | 44.4 | 57.3 Ų | 57.3 | 27% | 0.269 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 128.3 | 175.4 | -171 | 0 | 0 | 0 | 0 | 110.1 | F2211 N2215 L2233 N2235 | F2211-V2213 HydrophobicContact CD1-CG2 3.74Å; F2211-V2213 HydrophobicContact CE1-CG2 3.54Å; F2211-V2213 VanDerWaalsContact CE1-CG2 3.44Å; V2213-N2215 VanDerWaalsContact CG1-OD1 3.3Å; V2213-N2215 WeakPolarHBondContact CG1-OD1 3.27Å; V2213-L2233 CarbonylContact C-O 3.56Å; V2213-L2233 WeakPolarHBondContact CA-O 3.32Å; V2213-L2233 HydrophobicContact CG1-CB 4.46Å; V2213-L2233 HydrophobicContact CG1-CD2 4.27Å; V2213-L2233 HydrophobicContact CG1-CG 4.42Å; V2213-L2233 HydrophobicContact CG2-CB 4.4Å; V2213-L2233 HydrophobicContact CG2-CD2 4.34Å; V2213-N2235 HydrophobicContact CG1-CB 4.18Å |
| 2214 | I | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 99.8 | 171.5 | -52.7 | -177.7 | 0 | 0 | 0 | 107.5 | W2194 Q2218 I2220 L2232 L2233 I2234 N2235 G2237 L2239 | W2194-I2214 HydrophobicContact CZ3-CD1 4.47Å; I2214-Q2218 HydrophobicContact CG2-CB 3.95Å; I2214-I2220 HydrophobicContact CB-CD1 4.46Å; I2214-I2220 HydrophobicContact CD1-CB 4.46Å; I2214-I2220 HydrophobicContact CD1-CD1 4.18Å; I2214-I2220 HydrophobicContact CG1-CD1 3.97Å; I2214-I2220 HydrophobicContact CG2-CD1 3.99Å; I2214-I2220 HydrophobicContact CG2-CG1 4.23Å; I2214-L2232 HydrophobicContact CD1-CD1 3.95Å; I2214-L2232 HydrophobicContact CG1-CD1 4.17Å; I2214-L2233 PolarHBondContact N-O 3.13Å; I2214-I2234 HydrophobicContact CB-CG2 4.48Å; I2214-I2234 HydrophobicContact CD1-CG1 4.36Å; I2214-N2235 CarbonylContact O-C 3.44Å; I2214-N2235 WeakPolarHBondContact O-CA 3.27Å; I2214-N2235 PolarHBondContact O-N 3.02Å; I2214-G2237 PolarHBondContact O-N 2.88Å; I2214-L2239 HydrophobicContact CD1-CB 3.73Å; I2214-L2239 HydrophobicContact CD1-CD1 3.78Å; I2214-L2239 HydrophobicContact CD1-CD2 4.15Å; I2214-L2239 HydrophobicContact CD1-CG 4.09Å |
| 2215 | N | 93.7 | Very high | 93.8 | Very high | 74.2 Ų | 74.2 | 53.3 Ų | 53.3 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 168.8 | -174.8 | -70 | -56.7 | 0 | 0 | 0 | 112.9 | V2213 N2217 Q2218 N2235 G2237 | V2213-N2215 VanDerWaalsContact CG1-OD1 3.3Å; V2213-N2215 WeakPolarHBondContact CG1-OD1 3.27Å; N2215-N2217 PolarHBondContact O-N 3.04Å; N2215-Q2218 WeakPolarHBondContact O-CB 3.39Å; N2215-Q2218 PolarHBondContact O-N 3.07Å; N2215-Q2218 VanDerWaalsContact O-N 3.11Å; N2215-N2235 CarbonylContact C-O 3.54Å; N2215-N2235 VanDerWaalsContact C-O 3.27Å; N2215-N2235 VanDerWaalsContact CA-O 3.28Å; N2215-N2235 WeakPolarHBondContact CA-O 3.32Å; N2215-N2235 PolarHBondContact OD1-ND2 2.87Å; N2215-G2237 WeakPolarHBondContact O-CA 3.36Å; N2215-G2237 PolarHBondContact O-N 2.9Å |
| 2216 | A | 88.7 | Confident | 94 | Very high | 58.8 Ų | 58.8 | 50.4 Ų | 50.4 | 49% | 0.486 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 140.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q2218 N2235 | A2216-Q2218 VanDerWaalsContact C-N 3.29Å; A2216-Q2218 PolarHBondContact O-N 3.06Å; A2216-N2235 PolarHBondContact N-O 2.96Å |
| 2217 | N | 81.7 | Confident | 94.1 | Very high | 154.4 Ų | 154.4 | 51.9 Ų | 51.9 | 83% | 0.826 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | -4 | -174.9 | -47.5 | -43.4 | 0 | 0 | 0 | 116.5 | N2215 | N2215-N2217 PolarHBondContact O-N 3.04Š|
| 2218 | Q | 88.2 | Confident | 94.2 | Very high | 49.4 Ų | 49.4 | 50.3 Ų | 50.3 | 23% | 0.231 | 27% | 0.272 | C | S | . | . | trans | -86.6 | 125.9 | 170.6 | -62.8 | -176.8 | -64.9 | 0 | 0 | 110.5 | I2214 N2215 A2216 I2220 G2237 T2238 | I2214-Q2218 HydrophobicContact CG2-CB 3.95Å; N2215-Q2218 WeakPolarHBondContact O-CB 3.39Å; N2215-Q2218 PolarHBondContact O-N 3.07Å; N2215-Q2218 VanDerWaalsContact O-N 3.11Å; A2216-Q2218 VanDerWaalsContact C-N 3.29Å; A2216-Q2218 PolarHBondContact O-N 3.06Å; Q2218-I2220 HydrophobicContact CB-CD1 4.42Å; Q2218-I2220 HydrophobicContact CB-CG1 4.28Å; Q2218-G2237 CarbonylContact O-C 3.53Å; Q2218-G2237 WeakPolarHBondContact O-CA 3.17Å; Q2218-T2238 PolarHBondContact O-N 3.04Å | ||
| 2219 | N | 90.3 | Very high | 94.4 | Very high | 47.2 Ų | 47.2 | 44.7 Ų | 44.7 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 90.3 | 171.5 | -65.5 | -53.8 | 0 | 0 | 0 | 108.6 | S2167 D2192 T2238 F2240 | S2167-N2219 PolarHBondContact OG-O 3.05Å; D2192-N2219 PolarHBondContact N-O 2.96Å; N2219-T2238 CarbonylContact C-O 3.33Å; N2219-T2238 WeakPolarHBondContact CA-O 3.16Å; N2219-T2238 VanDerWaalsContact OD1-CB 3.26Å; N2219-T2238 WeakPolarHBondContact OD1-CB 3.33Å; N2219-T2238 PolarHBondContact OD1-OG1 3.1Å; N2219-T2238 VanDerWaalsContact OD1-OG1 3.1Å; N2219-F2240 HydrophobicContact CB-CE1 4.41Å |
| 2220 | I | 93.5 | Very high | 94.5 | Very high | 0.6 Ų | 0.6 | 42.1 Ų | 42.1 | 0% | 0.003 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 125.8 | -173.2 | -57.5 | -177.9 | 0 | 0 | 0 | 109.9 | D2192 W2194 T2199 W2200 I2214 Q2218 T2238 L2239 F2240 | D2192-I2220 HydrophobicContact CB-CG1 4.41Å; D2192-I2220 CarbonylContact O-C 3.46Å; D2192-I2220 VanDerWaalsContact O-CA 3.28Å; D2192-I2220 WeakPolarHBondContact O-CA 3.3Å; W2194-I2220 HydrophobicContact CB-CG2 4.21Å; W2194-I2220 HydrophobicContact CE3-CG2 4.01Å; T2199-I2220 HydrophobicContact CG2-CD1 3.94Å; T2199-I2220 HydrophobicContact CG2-CG1 4.03Å; T2199-I2220 HydrophobicContact CG2-CG2 4.25Å; W2200-I2220 HydrophobicContact CH2-CD1 3.99Å; W2200-I2220 HydrophobicContact CZ2-CD1 4.46Å; W2200-I2220 HydrophobicContact CZ3-CD1 4.38Å; I2214-I2220 HydrophobicContact CB-CD1 4.46Å; I2214-I2220 HydrophobicContact CD1-CB 4.46Å; I2214-I2220 HydrophobicContact CD1-CD1 4.18Å; I2214-I2220 HydrophobicContact CG1-CD1 3.97Å; I2214-I2220 HydrophobicContact CG2-CD1 3.99Å; I2214-I2220 HydrophobicContact CG2-CG1 4.23Å; Q2218-I2220 HydrophobicContact CB-CD1 4.42Å; Q2218-I2220 HydrophobicContact CB-CG1 4.28Å; I2220-T2238 PolarHBondContact N-O 2.99Å; I2220-L2239 HydrophobicContact CB-CD1 4.23Å; I2220-L2239 HydrophobicContact CG2-CD1 4.15Å; I2220-L2239 WeakPolarHBondContact O-CA 3.38Å; I2220-F2240 VanDerWaalsContact O-CD1 3.32Å; I2220-F2240 WeakPolarHBondContact O-CD1 3.23Å; I2220-F2240 PolarHBondContact O-N 3.1Å |
| 2221 | M | 94.2 | Very high | 94.5 | Very high | 4.2 Ų | 4.2 | 39.9 Ų | 39.9 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 116.6 | 168.8 | -169.9 | 171.8 | 75.5 | 0 | 0 | 109.7 | I2118 Y2189 V2191 D2192 R2193 W2194 D2223 F2240 D2242 | I2118-M2221 HydrophobicContact CD1-CE 4.09Å; I2118-M2221 HydrophobicContact CD1-SD 3.9Å; Y2189-M2221 HydrophobicContact CE1-SD 4.23Å; V2191-M2221 HydrophobicContact CB-CB 4.39Å; V2191-M2221 HydrophobicContact CG1-CE 3.75Å; V2191-M2221 HydrophobicContact CG1-SD 4.26Å; V2191-M2221 HydrophobicContact CG2-CB 4.01Å; V2191-M2221 HydrophobicContact CG2-CE 4.1Å; V2191-M2221 HydrophobicContact CG2-CG 4.23Å; V2191-M2221 HydrophobicContact CG2-SD 4.17Å; D2192-M2221 PolarHBondContact O-N 3.17Å; R2193-M2221 HydrophobicContact CG-CE 3.99Å; W2194-M2221 WeakPolarHBondContact CB-O 3.33Å; W2194-M2221 PolarHBondContact N-O 2.92Å; M2221-D2223 HydrophobicContact CE-CB 3.96Å; M2221-D2223 PolarHBondContact O-N 2.85Å; M2221-D2223 VanDerWaalsContact O-N 3.16Å; M2221-F2240 CarbonylContact C-O 3.46Å; M2221-F2240 VanDerWaalsContact CA-O 3.29Å; M2221-F2240 WeakPolarHBondContact CA-O 3.26Å; M2221-F2240 HydrophobicContact CB-CD2 4.31Å; M2221-F2240 HydrophobicContact CB-CE1 4.1Å; M2221-F2240 HydrophobicContact CB-CE2 3.63Å; M2221-F2240 HydrophobicContact CB-CZ 3.52Å; M2221-F2240 VanDerWaalsContact CB-CZ 3.48Å; M2221-F2240 HydrophobicContact CG-CD2 4.03Å; M2221-F2240 HydrophobicContact CG-CE2 3.5Å; M2221-F2240 VanDerWaalsContact CG-CE2 3.46Å; M2221-F2240 HydrophobicContact CG-CZ 3.96Å; M2221-F2240 HydrophobicContact SD-CE2 3.83Å; M2221-F2240 HydrophobicContact SD-CZ 4.34Å; M2221-D2242 HydrophobicContact CE-CB 4.23Å; M2221-D2242 HydrophobicContact CG-CB 3.98Å; M2221-D2242 HydrophobicContact SD-CB 4.02Å |
| 2222 | L | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 101.3 | 172 | -173.4 | 63.9 | 0 | 0 | 0 | 109.5 | W2194 V2224 T2226 L2239 F2240 F2241 D2242 I2247 L2249 | W2194-L2222 HydrophobicContact CB-CD1 3.96Å; W2194-L2222 HydrophobicContact CD2-CD1 3.54Å; W2194-L2222 HydrophobicContact CE3-CD1 3.68Å; W2194-L2222 HydrophobicContact CG-CD1 3.67Å; W2194-L2222 HydrophobicContact CZ3-CD1 4.38Å; L2222-V2224 VanDerWaalsContact CD1-O 3.3Å; L2222-V2224 WeakPolarHBondContact CD1-O 3.25Å; L2222-T2226 HydrophobicContact CD1-CG2 3.57Å; L2222-T2226 HydrophobicContact CD2-CG2 4.33Å; L2222-L2239 HydrophobicContact CB-CD1 4.01Å; L2222-F2240 PolarHBondContact N-O 2.95Å; L2222-F2241 HydrophobicContact CB-CD2 4.31Å; L2222-F2241 HydrophobicContact CD2-CD2 4.12Å; L2222-F2241 HydrophobicContact CD2-CE1 4.19Å; L2222-F2241 HydrophobicContact CD2-CE2 3.69Å; L2222-F2241 HydrophobicContact CD2-CZ 3.74Å; L2222-D2242 WeakPolarHBondContact O-CB 3.34Å; L2222-D2242 PolarHBondContact O-N 2.98Å; L2222-I2247 HydrophobicContact CB-CG2 4.45Å; L2222-I2247 HydrophobicContact CD2-CG2 3.49Å; L2222-I2247 VanDerWaalsContact CD2-CG2 3.48Å; L2222-I2247 HydrophobicContact CG-CG2 3.64Å; L2222-I2247 WeakPolarHBondContact O-CD1 3.49Å; L2222-L2249 HydrophobicContact CD2-CB 3.98Å; L2222-L2249 HydrophobicContact CD2-CD1 4.29Å; L2222-L2249 HydrophobicContact CD2-CG 4.48Å |
| 2223 | D | 93.9 | Very high | 94.7 | Very high | 2.8 Ų | 2.8 | 35.5 Ų | 35.5 | 2% | 0.015 | 20% | 0.203 | C | C | . | . | trans | -115.7 | 4.1 | -172.2 | 73.7 | -48.3 | 0 | 0 | 0 | 114.2 | R2193 W2194 S2195 M2221 D2242 K2245 I2247 | R2193-D2223 WeakPolarHBondContact CD-OD2 3.19Å; R2193-D2223 HydrophobicContact CG-CB 4.43Å; R2193-D2223 IonicContact CZ-OD2 3.22Å; R2193-D2223 IonicContact NE-OD2 3.28Å; R2193-D2223 PolarHBondContact NE-OD2 2.99Å; R2193-D2223 IonicContact NH2-OD2 3.85Å; R2193-D2223 PolarHBondContact NH2-OD2 2.85Å; W2194-D2223 PolarHBondContact N-OD1 2.84Å; W2194-D2223 VanDerWaalsContact N-OD1 3.13Å; S2195-D2223 WeakPolarHBondContact CB-OD1 3.42Å; S2195-D2223 WeakPolarHBondContact CB-OD2 3.32Å; S2195-D2223 PolarHBondContact N-OD1 2.94Å; S2195-D2223 VanDerWaalsContact OG-CG 3.28Å; S2195-D2223 PolarHBondContact OG-OD1 3.23Å; S2195-D2223 VanDerWaalsContact OG-OD1 3.09Å; S2195-D2223 PolarHBondContact OG-OD2 3.25Å; S2195-D2223 VanDerWaalsContact OG-OD2 3.05Å; M2221-D2223 HydrophobicContact CE-CB 3.96Å; M2221-D2223 PolarHBondContact O-N 2.85Å; M2221-D2223 VanDerWaalsContact O-N 3.16Å; D2223-D2242 HydrophobicContact CB-CB 4.02Å; D2223-K2245 VanDerWaalsContact O-CD 3.26Å; D2223-K2245 WeakPolarHBondContact O-CD 3.41Å; D2223-K2245 PolarHBondContact O-NZ 2.8Å; D2223-K2245 IonicContact OD2-NZ 3.45Å; D2223-I2247 VanDerWaalsContact C-CD1 3.46Å | ||
| 2224 | V | 95.9 | Very high | 94.7 | Very high | 48.8 Ų | 48.8 | 33.3 Ų | 33.3 | 30% | 0.296 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -142.5 | 157.2 | 174 | -70 | 0 | 0 | 0 | 0 | 109.6 | W2194 L2222 | W2194-V2224 HydrophobicContact CB-CG2 4.46Å; W2194-V2224 HydrophobicContact CG-CG2 4.35Å; L2222-V2224 VanDerWaalsContact CD1-O 3.3Å; L2222-V2224 WeakPolarHBondContact CD1-O 3.25Å |
| 2225 | D | 97.8 | Very high | 94.8 | Very high | 84 Ų | 84 | 35.4 Ų | 35.4 | 45% | 0.449 | 20% | 0.201 | S | C | . | . | trans | -64 | 137.8 | 172.6 | -67 | -11.6 | 0 | 0 | 0 | 110.6 | Q2248 | D2225-Q2248 CarbonylContact C-O 3.52Å; D2225-Q2248 VanDerWaalsContact CA-O 3.29Å; D2225-Q2248 WeakPolarHBondContact CA-O 3.34Å; D2225-Q2248 HydrophobicContact CB-CB 4.27Å; D2225-Q2248 PolarHBondContact OD1-N 2.86Å | ||
| 2226 | T | 97.7 | Very high | 94.8 | Very high | 5 Ų | 5 | 32.9 Ų | 32.9 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | trans | -83.9 | 147.4 | 174.4 | 72.1 | 0 | 0 | 0 | 0 | 110.8 | W2194 L2222 L2229 Q2248 L2249 N2250 | W2194-T2226 HydrophobicContact CD2-CG2 4.48Å; W2194-T2226 HydrophobicContact CH2-CG2 4.14Å; W2194-T2226 HydrophobicContact CZ2-CG2 3.71Å; L2222-T2226 HydrophobicContact CD1-CG2 3.57Å; L2222-T2226 HydrophobicContact CD2-CG2 4.33Å; T2226-L2229 HydrophobicContact CG2-CD1 4.46Å; T2226-Q2248 PolarHBondContact N-O 2.91Å; T2226-Q2248 PolarHBondContact OG1-O 2.8Å; T2226-L2249 HydrophobicContact CG2-CD1 3.63Å; T2226-L2249 WeakPolarHBondContact OG1-CA 3.28Å; T2226-N2250 PolarHBondContact O-ND2 2.99Å; T2226-N2250 PolarHBondContact OG1-N 3.2Å; T2226-N2250 PolarHBondContact OG1-O 3.18Å | ||
| 2227 | P | 97.2 | Very high | 95.1 | Very high | 43 Ų | 43 | 30.1 Ų | 30.1 | 28% | 0.279 | 17% | 0.171 | S | C | . | . | trans | -64.8 | 175.5 | 160.8 | 32.7 | -35.7 | 0 | 0 | 0 | 110 | P2206 V2207 E2208 L2229 | P2206-P2227 WeakPolarHBondContact O-CG 3.3Å; V2207-P2227 VanDerWaalsContact C-CG 3.41Å; E2208-P2227 HydrophobicContact CB-CB 4.09Å; P2227-L2229 HydrophobicContact CG-CD2 4.14Å; P2227-L2229 PolarHBondContact O-N 3.08Å | ||
| 2228 | I | 96.9 | Very high | 95.8 | Very high | 50.2 Ų | 50.2 | 23.6 Ų | 23.6 | 26% | 0.257 | 14% | 0.136 | S | C | . | . | trans | -69.9 | 99 | 177 | -55.1 | 173.4 | 0 | 0 | 0 | 108.8 | E2208 N2209 N2250 K2252 H2280 | E2208-I2228 HydrophobicContact CG-CB 4.21Å; N2209-I2228 PolarHBondContact N-O 3.03Å; I2228-N2250 HydrophobicContact CG1-CB 4.34Å; I2228-K2252 HydrophobicContact CG2-CG 4.41Å; I2228-H2280 VanDerWaalsContact CD1-CE1 3.49Å; I2228-H2280 WeakPolarHBondContact CD1-CE1 3.43Å; I2228-H2280 HydrophobicContact CG2-CB 3.91Å | ||
| 2229 | L | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | B | Isolated β-bridge | trans | -72.7 | 143.5 | 178.8 | -56.4 | 178.5 | 0 | 0 | 0 | 110.6 | W2194 P2206 V2212 T2226 P2227 M2231 L2232 L2249 N2250 S2251 K2252 | W2194-L2229 HydrophobicContact CH2-CD1 3.87Å; W2194-L2229 HydrophobicContact CZ2-CD1 4.08Å; P2206-L2229 HydrophobicContact CB-CD2 4.25Å; V2212-L2229 HydrophobicContact CB-CD1 4.44Å; V2212-L2229 HydrophobicContact CG2-CD1 3.98Å; V2212-L2229 HydrophobicContact CG2-CD2 3.86Å; V2212-L2229 HydrophobicContact CG2-CG 4.47Å; T2226-L2229 HydrophobicContact CG2-CD1 4.46Å; P2227-L2229 HydrophobicContact CG-CD2 4.14Å; P2227-L2229 PolarHBondContact O-N 3.08Å; L2229-M2231 VanDerWaalsContact C-N 3.34Å; L2229-L2232 HydrophobicContact CD1-CB 4.28Å; L2229-L2249 HydrophobicContact CD1-CD1 4.48Å; L2229-N2250 PolarHBondContact N-O 2.98Å; L2229-S2251 WeakPolarHBondContact O-CA 3.3Å; L2229-K2252 PolarHBondContact O-N 2.96Å |
| 2230 | S | 96.6 | Very high | 96.5 | Very high | 34 Ų | 34 | 20.3 Ų | 20.3 | 24% | 0.238 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -71.2 | -35.2 | 172.2 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | N2209 D2210 F2211 Y2253 | N2209-S2230 WeakPolarHBondContact O-CB 3.31Å; N2209-S2230 PolarHBondContact O-OG 3.18Å; D2210-S2230 VanDerWaalsContact C-OG 3.25Å; D2210-S2230 PolarHBondContact O-N 2.93Å; D2210-S2230 PolarHBondContact O-OG 3.22Å; D2210-S2230 VanDerWaalsContact O-OG 3.06Å; F2211-S2230 PolarHBondContact N-OG 2.97Å; S2230-Y2253 VanDerWaalsContact O-CD2 3.22Å; S2230-Y2253 WeakPolarHBondContact O-CD2 3.27Å |
| 2231 | M | 97.6 | Very high | 96.7 | Very high | 17.4 Ų | 17.4 | 20.5 Ų | 20.5 | 9% | 0.086 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 144 | 170.4 | -178.7 | 162.6 | 179.1 | 0 | 0 | 110.5 | F2211 V2212 L2229 L2233 Y2253 L2255 L2288 | F2211-M2231 WeakPolarHBondContact CA-O 3.32Å; F2211-M2231 HydrophobicContact CD2-CB 3.63Å; F2211-M2231 HydrophobicContact CD2-CG 4.19Å; F2211-M2231 HydrophobicContact CD2-SD 4.18Å; F2211-M2231 HydrophobicContact CE1-CG 4.44Å; F2211-M2231 HydrophobicContact CE2-CB 3.72Å; F2211-M2231 HydrophobicContact CE2-CE 4.45Å; F2211-M2231 HydrophobicContact CE2-CG 3.77Å; F2211-M2231 HydrophobicContact CE2-SD 3.29Å; F2211-M2231 WeakPolarHBondContact CE2-SD 3.18Å; F2211-M2231 HydrophobicContact CG-CB 4.21Å; F2211-M2231 HydrophobicContact CZ-CB 4.28Å; F2211-M2231 HydrophobicContact CZ-CE 4.27Å; F2211-M2231 HydrophobicContact CZ-CG 4.01Å; F2211-M2231 HydrophobicContact CZ-SD 3.61Å; F2211-M2231 VanDerWaalsContact CZ-SD 3.55Å; F2211-M2231 WeakPolarHBondContact CZ-SD 3.45Å; V2212-M2231 PolarHBondContact N-O 3.23Å; L2229-M2231 VanDerWaalsContact C-N 3.34Å; M2231-L2233 HydrophobicContact CE-CB 4.4Å; M2231-L2233 HydrophobicContact CE-CD1 4.34Å; M2231-Y2253 CarbonylContact C-O 3.54Å; M2231-Y2253 WeakPolarHBondContact CA-O 3.36Å; M2231-Y2253 HydrophobicContact CB-CD2 4.38Å; M2231-L2255 HydrophobicContact CE-CB 3.5Å; M2231-L2255 VanDerWaalsContact CE-CB 3.47Å; M2231-L2255 HydrophobicContact CE-CD2 3.63Å; M2231-L2255 HydrophobicContact CE-CG 4.2Å; M2231-L2288 HydrophobicContact CE-CD1 4.28Å; M2231-L2288 HydrophobicContact SD-CD1 4.49Å |
| 2232 | L | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 111.8 | 167.3 | 171.8 | 63.2 | 0 | 0 | 0 | 108.9 | W2194 V2212 I2214 L2229 I2234 L2239 L2249 Y2253 I2254 L2255 | W2194-L2232 HydrophobicContact CH2-CD1 4.4Å; W2194-L2232 HydrophobicContact CZ3-CD1 4.4Å; V2212-L2232 HydrophobicContact CB-CD1 4.09Å; V2212-L2232 HydrophobicContact CG1-CD1 4Å; I2214-L2232 HydrophobicContact CD1-CD1 3.95Å; I2214-L2232 HydrophobicContact CG1-CD1 4.17Å; L2229-L2232 HydrophobicContact CD1-CB 4.28Å; L2232-I2234 HydrophobicContact CD1-CG1 4.49Å; L2232-I2234 HydrophobicContact CG-CG1 4.31Å; L2232-L2239 HydrophobicContact CD2-CD2 3.57Å; L2232-L2249 HydrophobicContact CD2-CD1 4Å; L2232-L2249 HydrophobicContact CD2-CD2 3.95Å; L2232-Y2253 PolarHBondContact N-O 3.27Å; L2232-I2254 HydrophobicContact CB-CG1 4.27Å; L2232-I2254 HydrophobicContact CB-CG2 4.45Å; L2232-I2254 HydrophobicContact CD2-CG1 4.38Å; L2232-I2254 HydrophobicContact CD2-CG2 4.05Å; L2232-I2254 HydrophobicContact CG-CG2 4.3Å; L2232-I2254 CarbonylContact O-C 3.52Å; L2232-I2254 VanDerWaalsContact O-CA 3.3Å; L2232-I2254 WeakPolarHBondContact O-CA 3.29Å; L2232-L2255 PolarHBondContact O-N 3Å |
| 2233 | L | 98.4 | Very high | 96.3 | Very high | 26.2 Ų | 26.2 | 23.9 Ų | 23.9 | 14% | 0.137 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 109.8 | 177.9 | 177.7 | 61.7 | 0 | 0 | 0 | 110.3 | F2211 V2212 V2213 I2214 M2231 N2235 L2255 L2257 | F2211-L2233 HydrophobicContact CE1-CB 3.94Å; F2211-L2233 HydrophobicContact CE1-CD2 4.11Å; F2211-L2233 HydrophobicContact CZ-CB 4.21Å; F2211-L2233 HydrophobicContact CZ-CD2 4.19Å; V2212-L2233 PolarHBondContact O-N 2.82Å; V2213-L2233 CarbonylContact C-O 3.56Å; V2213-L2233 WeakPolarHBondContact CA-O 3.32Å; V2213-L2233 HydrophobicContact CG1-CB 4.46Å; V2213-L2233 HydrophobicContact CG1-CD2 4.27Å; V2213-L2233 HydrophobicContact CG1-CG 4.42Å; V2213-L2233 HydrophobicContact CG2-CB 4.4Å; V2213-L2233 HydrophobicContact CG2-CD2 4.34Å; I2214-L2233 PolarHBondContact N-O 3.13Å; M2231-L2233 HydrophobicContact CE-CB 4.4Å; M2231-L2233 HydrophobicContact CE-CD1 4.34Å; L2233-N2235 HydrophobicContact CD2-CB 4.47Å; L2233-N2235 HydrophobicContact CG-CB 4.19Å; L2233-N2235 PolarHBondContact O-N 3.16Å; L2233-L2255 CarbonylContact C-O 3.57Å; L2233-L2255 WeakPolarHBondContact CA-O 3.32Å; L2233-L2255 HydrophobicContact CD1-CB 4.04Å; L2233-L2255 HydrophobicContact CD1-CD2 4.02Å; L2233-L2255 HydrophobicContact CD1-CG 4.03Å; L2233-L2257 HydrophobicContact CD1-CD1 3.85Å; L2233-L2257 HydrophobicContact CD1-CD2 3.75Å; L2233-L2257 HydrophobicContact CD1-CG 3.96Å |
| 2234 | I | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 97.3 | 172.9 | -51.5 | -179.1 | 0 | 0 | 0 | 108 | I2214 L2232 G2237 L2239 L2255 I2256 L2257 L2262 | I2214-I2234 HydrophobicContact CB-CG2 4.48Å; I2214-I2234 HydrophobicContact CD1-CG1 4.36Å; L2232-I2234 HydrophobicContact CD1-CG1 4.49Å; L2232-I2234 HydrophobicContact CG-CG1 4.31Å; I2234-G2237 VanDerWaalsContact CG2-O 3.23Å; I2234-G2237 WeakPolarHBondContact CG2-O 3.21Å; I2234-L2239 HydrophobicContact CD1-CB 3.71Å; I2234-L2239 HydrophobicContact CD1-CD2 4.24Å; I2234-L2239 HydrophobicContact CG1-CB 4.48Å; I2234-L2255 PolarHBondContact N-O 3.12Å; I2234-I2256 HydrophobicContact CB-CG1 4.3Å; I2234-I2256 HydrophobicContact CB-CG2 4.41Å; I2234-I2256 HydrophobicContact CD1-CG1 4.21Å; I2234-I2256 HydrophobicContact CG1-CG1 4.48Å; I2234-I2256 WeakPolarHBondContact O-CA 3.19Å; I2234-L2257 PolarHBondContact O-N 2.97Å; I2234-L2262 HydrophobicContact CD1-CB 4.05Å; I2234-L2262 HydrophobicContact CD1-CD1 4.26Å |
| 2235 | N | 97.2 | Very high | 96.1 | Very high | 42.4 Ų | 42.4 | 29.4 Ų | 29.4 | 23% | 0.227 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 78.3 | -173 | -177.6 | 29.5 | 0 | 0 | 0 | 111.2 | V2213 I2214 N2215 A2216 L2233 G2237 L2257 N2258 | V2213-N2235 HydrophobicContact CG1-CB 4.18Å; I2214-N2235 CarbonylContact O-C 3.44Å; I2214-N2235 WeakPolarHBondContact O-CA 3.27Å; I2214-N2235 PolarHBondContact O-N 3.02Å; N2215-N2235 CarbonylContact C-O 3.54Å; N2215-N2235 VanDerWaalsContact C-O 3.27Å; N2215-N2235 VanDerWaalsContact CA-O 3.28Å; N2215-N2235 WeakPolarHBondContact CA-O 3.32Å; N2215-N2235 PolarHBondContact OD1-ND2 2.87Å; A2216-N2235 PolarHBondContact N-O 2.96Å; L2233-N2235 HydrophobicContact CD2-CB 4.47Å; L2233-N2235 HydrophobicContact CG-CB 4.19Å; L2233-N2235 PolarHBondContact O-N 3.16Å; N2235-G2237 PolarHBondContact O-N 3.06Å; N2235-L2257 HydrophobicContact CB-CD1 3.88Å; N2235-L2257 VanDerWaalsContact OD1-CD1 3.32Å; N2235-L2257 WeakPolarHBondContact OD1-CD1 3.49Å; N2235-N2258 WeakPolarHBondContact OD1-CB 3.46Å; N2235-N2258 PolarHBondContact OD1-ND2 2.93Å |
| 2236 | G | 95 | Very high | 96.1 | Very high | 22.2 Ų | 22.2 | 30.1 Ų | 30.1 | 23% | 0.229 | 17% | 0.173 | C | C | . | . | B | Isolated β-bridge | trans | 75.9 | -5.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | L2257 N2258 | G2236-L2257 PolarHBondContact N-O 2.99Å; G2236-N2258 WeakPolarHBondContact CA-O 3.31Å |
| 2237 | G | 94.5 | Very high | 96.1 | Very high | 1.2 Ų | 1.2 | 30 Ų | 30 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -88.7 | -176.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114 | I2214 N2215 Q2218 I2234 N2235 G2260 K2261 | I2214-G2237 PolarHBondContact O-N 2.88Å; N2215-G2237 WeakPolarHBondContact O-CA 3.36Å; N2215-G2237 PolarHBondContact O-N 2.9Å; Q2218-G2237 CarbonylContact O-C 3.53Å; Q2218-G2237 WeakPolarHBondContact O-CA 3.17Å; I2234-G2237 VanDerWaalsContact CG2-O 3.23Å; I2234-G2237 WeakPolarHBondContact CG2-O 3.21Å; N2235-G2237 PolarHBondContact O-N 3.06Å; G2237-G2260 CarbonylContact O-C 3.53Å; G2237-G2260 VanDerWaalsContact O-CA 3.27Å; G2237-G2260 WeakPolarHBondContact O-CA 3.28Å; G2237-K2261 PolarHBondContact O-N 3.04Å |
| 2238 | T | 96.2 | Very high | 96.1 | Very high | 16.4 Ų | 16.4 | 31.6 Ų | 31.6 | 10% | 0.101 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 127.9 | 177 | -52.5 | 0 | 0 | 0 | 0 | 109.9 | Q2218 N2219 I2220 F2240 K2261 L2263 | Q2218-T2238 PolarHBondContact O-N 3.04Å; N2219-T2238 CarbonylContact C-O 3.33Å; N2219-T2238 WeakPolarHBondContact CA-O 3.16Å; N2219-T2238 VanDerWaalsContact OD1-CB 3.26Å; N2219-T2238 WeakPolarHBondContact OD1-CB 3.33Å; N2219-T2238 PolarHBondContact OD1-OG1 3.1Å; N2219-T2238 VanDerWaalsContact OD1-OG1 3.1Å; I2220-T2238 PolarHBondContact N-O 2.99Å; T2238-F2240 HydrophobicContact CG2-CD1 4.19Å; T2238-K2261 WeakPolarHBondContact CA-O 3.29Å; T2238-K2261 HydrophobicContact CG2-CB 4.02Å; T2238-L2263 HydrophobicContact CG2-CD1 3.63Å; T2238-L2263 HydrophobicContact CG2-CG 4.13Å |
| 2239 | L | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 123.8 | 161.8 | -174.7 | 62 | 0 | 0 | 0 | 108.4 | W2194 I2214 I2220 L2222 L2232 I2234 L2249 K2261 L2262 L2263 | W2194-L2239 HydrophobicContact CE3-CD1 4.14Å; W2194-L2239 HydrophobicContact CZ3-CD1 4.23Å; I2214-L2239 HydrophobicContact CD1-CB 3.73Å; I2214-L2239 HydrophobicContact CD1-CD1 3.78Å; I2214-L2239 HydrophobicContact CD1-CD2 4.15Å; I2214-L2239 HydrophobicContact CD1-CG 4.09Å; I2220-L2239 HydrophobicContact CB-CD1 4.23Å; I2220-L2239 HydrophobicContact CG2-CD1 4.15Å; I2220-L2239 WeakPolarHBondContact O-CA 3.38Å; L2222-L2239 HydrophobicContact CB-CD1 4.01Å; L2232-L2239 HydrophobicContact CD2-CD2 3.57Å; I2234-L2239 HydrophobicContact CD1-CB 3.71Å; I2234-L2239 HydrophobicContact CD1-CD2 4.24Å; I2234-L2239 HydrophobicContact CG1-CB 4.48Å; L2239-L2249 HydrophobicContact CD2-CD2 4.35Å; L2239-K2261 PolarHBondContact N-O 2.89Å; L2239-L2262 HydrophobicContact CB-CD1 4.28Å; L2239-L2262 HydrophobicContact CD2-CD1 4.04Å; L2239-L2262 HydrophobicContact CG-CD1 4.3Å; L2239-L2262 WeakPolarHBondContact O-CA 3.26Å; L2239-L2263 PolarHBondContact O-N 3.02Å |
| 2240 | F | 95.7 | Very high | 96.2 | Very high | 28.8 Ų | 28.8 | 30.3 Ų | 30.3 | 13% | 0.126 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 147.2 | 173.6 | 67.2 | -82.4 | 0 | 0 | 0 | 111.4 | Y2189 V2191 N2219 I2220 M2221 L2222 T2238 L2263 | Y2189-F2240 HydrophobicContact CE1-CE1 4.43Å; Y2189-F2240 HydrophobicContact CE1-CE2 4.25Å; Y2189-F2240 AromaticContact CE1-CZ 3.77Å; Y2189-F2240 HydrophobicContact CE1-CZ 4.16Å; V2191-F2240 HydrophobicContact CB-CZ 4.15Å; V2191-F2240 HydrophobicContact CG1-CZ 3.97Å; V2191-F2240 HydrophobicContact CG2-CE1 4.4Å; V2191-F2240 HydrophobicContact CG2-CE2 4.22Å; V2191-F2240 HydrophobicContact CG2-CZ 3.53Å; N2219-F2240 HydrophobicContact CB-CE1 4.41Å; I2220-F2240 VanDerWaalsContact O-CD1 3.32Å; I2220-F2240 WeakPolarHBondContact O-CD1 3.23Å; I2220-F2240 PolarHBondContact O-N 3.1Å; M2221-F2240 CarbonylContact C-O 3.46Å; M2221-F2240 VanDerWaalsContact CA-O 3.29Å; M2221-F2240 WeakPolarHBondContact CA-O 3.26Å; M2221-F2240 HydrophobicContact CB-CD2 4.31Å; M2221-F2240 HydrophobicContact CB-CE1 4.1Å; M2221-F2240 HydrophobicContact CB-CE2 3.63Å; M2221-F2240 HydrophobicContact CB-CZ 3.52Å; M2221-F2240 VanDerWaalsContact CB-CZ 3.48Å; M2221-F2240 HydrophobicContact CG-CD2 4.03Å; M2221-F2240 HydrophobicContact CG-CE2 3.5Å; M2221-F2240 VanDerWaalsContact CG-CE2 3.46Å; M2221-F2240 HydrophobicContact CG-CZ 3.96Å; M2221-F2240 HydrophobicContact SD-CE2 3.83Å; M2221-F2240 HydrophobicContact SD-CZ 4.34Å; L2222-F2240 PolarHBondContact N-O 2.95Å; T2238-F2240 HydrophobicContact CG2-CD1 4.19Å; F2240-L2263 VanDerWaalsContact CA-O 3.24Å; F2240-L2263 WeakPolarHBondContact CA-O 3.35Å; F2240-L2263 HydrophobicContact CB-CB 3.87Å; F2240-L2263 HydrophobicContact CB-CD1 4.46Å |
| 2241 | F | 97 | Very high | 96.3 | Very high | 4.8 Ų | 4.8 | 28.7 Ų | 28.7 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 141.6 | -177.4 | -78.7 | -140.1 | 0 | 0 | 0 | 110.5 | L2222 P2243 I2247 L2249 L2262 L2263 I2264 Y2271 A2275 I2277 | L2222-F2241 HydrophobicContact CB-CD2 4.31Å; L2222-F2241 HydrophobicContact CD2-CD2 4.12Å; L2222-F2241 HydrophobicContact CD2-CE1 4.19Å; L2222-F2241 HydrophobicContact CD2-CE2 3.69Å; L2222-F2241 HydrophobicContact CD2-CZ 3.74Å; F2241-P2243 VanDerWaalsContact O-CD 3.3Å; F2241-P2243 WeakPolarHBondContact O-CD 3.41Å; F2241-P2243 VanDerWaalsContact O-N 3.16Å; F2241-I2247 HydrophobicContact CD1-CB 3.74Å; F2241-I2247 HydrophobicContact CD1-CG1 4.49Å; F2241-I2247 HydrophobicContact CD1-CG2 3.55Å; F2241-I2247 HydrophobicContact CE1-CB 4.09Å; F2241-I2247 HydrophobicContact CE1-CG2 3.6Å; F2241-I2247 HydrophobicContact CG-CG2 4.27Å; F2241-I2247 HydrophobicContact CZ-CG2 4.36Å; F2241-L2249 HydrophobicContact CE1-CB 4.45Å; F2241-L2249 HydrophobicContact CE2-CD2 4.23Å; F2241-L2249 HydrophobicContact CZ-CB 3.75Å; F2241-L2249 HydrophobicContact CZ-CD2 4.12Å; F2241-L2262 HydrophobicContact CE2-CD1 4.29Å; F2241-L2263 PolarHBondContact N-O 3.02Å; F2241-L2263 VanDerWaalsContact N-O 3.12Å; F2241-I2264 HydrophobicContact CB-CG1 4.45Å; F2241-I2264 HydrophobicContact CB-CG2 4.31Å; F2241-I2264 HydrophobicContact CD1-CD1 4.22Å; F2241-I2264 HydrophobicContact CD1-CG1 4.31Å; F2241-I2264 HydrophobicContact CD1-CG2 4.35Å; F2241-I2264 HydrophobicContact CD2-CD1 4.13Å; F2241-I2264 HydrophobicContact CD2-CG1 3.73Å; F2241-I2264 HydrophobicContact CE1-CD1 3.99Å; F2241-I2264 HydrophobicContact CE1-CG1 4.46Å; F2241-I2264 HydrophobicContact CE2-CD1 3.89Å; F2241-I2264 HydrophobicContact CE2-CG1 3.96Å; F2241-I2264 HydrophobicContact CG-CD1 4.29Å; F2241-I2264 HydrophobicContact CG-CG1 3.92Å; F2241-I2264 HydrophobicContact CG-CG2 4.3Å; F2241-I2264 HydrophobicContact CZ-CD1 3.82Å; F2241-I2264 HydrophobicContact CZ-CG1 4.35Å; F2241-Y2271 HydrophobicContact CB-CD2 4.41Å; F2241-Y2271 HydrophobicContact CB-CE2 3.61Å; F2241-A2275 HydrophobicContact CD1-CB 3.77Å; F2241-A2275 HydrophobicContact CE1-CB 3.91Å; F2241-I2277 HydrophobicContact CZ-CG1 4.26Å |
| 2242 | D | 93.3 | Very high | 96.2 | Very high | 8.4 Ų | 8.4 | 29.9 Ų | 29.9 | 5% | 0.045 | 16% | 0.163 | C | C | . | . | trans | -59.1 | 115.5 | 172.2 | -178.2 | -19.2 | 0 | 0 | 0 | 109.3 | M2221 L2222 D2223 T2244 K2245 Y2271 | M2221-D2242 HydrophobicContact CE-CB 4.23Å; M2221-D2242 HydrophobicContact CG-CB 3.98Å; M2221-D2242 HydrophobicContact SD-CB 4.02Å; L2222-D2242 WeakPolarHBondContact O-CB 3.34Å; L2222-D2242 PolarHBondContact O-N 2.98Å; D2223-D2242 HydrophobicContact CB-CB 4.02Å; D2242-T2244 PolarHBondContact O-N 2.99Å; D2242-T2244 VanDerWaalsContact O-N 3.1Å; D2242-T2244 WeakPolarHBondContact OD1-CB 3.33Å; D2242-T2244 PolarHBondContact OD1-N 2.99Å; D2242-T2244 PolarHBondContact OD1-OG1 3.11Å; D2242-T2244 PolarHBondContact OD2-OG1 3.07Å; D2242-K2245 PolarHBondContact O-N 3.11Å; D2242-K2245 WeakPolarHBondContact OD2-CD 3.46Å; D2242-K2245 VanDerWaalsContact OD2-CE 3.29Å; D2242-K2245 WeakPolarHBondContact OD2-CE 3.32Å; D2242-K2245 IonicContact OD2-NZ 3.29Å; D2242-K2245 PolarHBondContact OD2-NZ 3.41Å; D2242-Y2271 VanDerWaalsContact O-CE2 3.23Å; D2242-Y2271 WeakPolarHBondContact O-CE2 3.3Å; D2242-Y2271 VanDerWaalsContact O-CZ 3.29Å; D2242-Y2271 PolarHBondContact O-OH 3.02Å | ||
| 2243 | P | 90.3 | Very high | 96.2 | Very high | 65.4 Ų | 65.4 | 30.8 Ų | 30.8 | 43% | 0.425 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -8.3 | -175 | 29.8 | -35.8 | 0 | 0 | 0 | 113.5 | F2241 Y2271 K2273 | F2241-P2243 VanDerWaalsContact O-CD 3.3Å; F2241-P2243 WeakPolarHBondContact O-CD 3.41Å; F2241-P2243 VanDerWaalsContact O-N 3.16Å; P2243-Y2271 HydrophobicContact CB-CE2 4.5Å; P2243-K2273 WeakPolarHBondContact O-CG 3.37Å |
| 2244 | T | 90.1 | Very high | 96.2 | Very high | 92 Ų | 92 | 29.6 Ų | 29.6 | 56% | 0.564 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -8.6 | -174.1 | 71.6 | 0 | 0 | 0 | 0 | 114.3 | D2242 K2273 | D2242-T2244 PolarHBondContact O-N 2.99Å; D2242-T2244 VanDerWaalsContact O-N 3.1Å; D2242-T2244 WeakPolarHBondContact OD1-CB 3.33Å; D2242-T2244 PolarHBondContact OD1-N 2.99Å; D2242-T2244 PolarHBondContact OD1-OG1 3.11Å; D2242-T2244 PolarHBondContact OD2-OG1 3.07Å; T2244-K2273 VanDerWaalsContact O-CE 3.29Å; T2244-K2273 WeakPolarHBondContact O-CE 3.27Å |
| 2245 | K | 93.5 | Very high | 96.2 | Very high | 75.6 Ų | 75.6 | 30.3 Ų | 30.3 | 33% | 0.329 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -124.1 | 159.3 | -174.7 | -64.7 | -177.5 | -173.3 | 170.2 | 0 | 112.6 | D2223 D2242 I2247 Y2271 K2273 | D2223-K2245 VanDerWaalsContact O-CD 3.26Å; D2223-K2245 WeakPolarHBondContact O-CD 3.41Å; D2223-K2245 PolarHBondContact O-NZ 2.8Å; D2223-K2245 IonicContact OD2-NZ 3.45Å; D2242-K2245 PolarHBondContact O-N 3.11Å; D2242-K2245 WeakPolarHBondContact OD2-CD 3.46Å; D2242-K2245 VanDerWaalsContact OD2-CE 3.29Å; D2242-K2245 WeakPolarHBondContact OD2-CE 3.32Å; D2242-K2245 IonicContact OD2-NZ 3.29Å; D2242-K2245 PolarHBondContact OD2-NZ 3.41Å; K2245-I2247 HydrophobicContact CB-CD1 3.97Å; K2245-I2247 HydrophobicContact CB-CG1 4.16Å; K2245-I2247 HydrophobicContact CD-CD1 4.44Å; K2245-Y2271 PolarHBondContact O-OH 3.01Å; K2245-K2273 WeakPolarHBondContact O-CB 3.36Å; K2245-K2273 WeakPolarHBondContact O-CG 3.43Å |
| 2246 | D | 97.8 | Very high | 96.3 | Very high | 99 Ų | 99 | 28.3 Ų | 28.3 | 53% | 0.529 | 15% | 0.154 | S | C | . | . | trans | -79.2 | 133 | 161.8 | -59.4 | -29 | 0 | 0 | 0 | 108.3 | K2273 Q2274 | D2246-K2273 WeakPolarHBondContact OD1-CB 3.32Å; D2246-Q2274 CarbonylContact C-O 3.53Å; D2246-Q2274 WeakPolarHBondContact CA-O 3.39Å; D2246-Q2274 HydrophobicContact CB-CB 4.03Å; D2246-Q2274 WeakPolarHBondContact OD1-CB 3.41Å; D2246-Q2274 PolarHBondContact OD1-N 2.97Å | ||
| 2247 | I | 97.8 | Very high | 96.3 | Very high | 2.4 Ų | 2.4 | 29.1 Ų | 29.1 | 1% | 0.012 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 133.9 | -171.1 | -62.5 | -67.1 | 0 | 0 | 0 | 111.6 | L2222 D2223 F2241 K2245 Y2271 Q2274 A2275 T2276 | L2222-I2247 HydrophobicContact CB-CG2 4.45Å; L2222-I2247 HydrophobicContact CD2-CG2 3.49Å; L2222-I2247 VanDerWaalsContact CD2-CG2 3.48Å; L2222-I2247 HydrophobicContact CG-CG2 3.64Å; L2222-I2247 WeakPolarHBondContact O-CD1 3.49Å; D2223-I2247 VanDerWaalsContact C-CD1 3.46Å; F2241-I2247 HydrophobicContact CD1-CB 3.74Å; F2241-I2247 HydrophobicContact CD1-CG1 4.49Å; F2241-I2247 HydrophobicContact CD1-CG2 3.55Å; F2241-I2247 HydrophobicContact CE1-CB 4.09Å; F2241-I2247 HydrophobicContact CE1-CG2 3.6Å; F2241-I2247 HydrophobicContact CG-CG2 4.27Å; F2241-I2247 HydrophobicContact CZ-CG2 4.36Å; K2245-I2247 HydrophobicContact CB-CD1 3.97Å; K2245-I2247 HydrophobicContact CB-CG1 4.16Å; K2245-I2247 HydrophobicContact CD-CD1 4.44Å; I2247-Y2271 WeakPolarHBondContact CG1-OH 3.37Å; I2247-Q2274 PolarHBondContact N-O 2.91Å; I2247-A2275 CarbonylContact O-C 3.44Å; I2247-A2275 WeakPolarHBondContact O-CA 3.35Å; I2247-T2276 PolarHBondContact O-N 3.35Å |
| 2248 | Q | 98 | Very high | 96.4 | Very high | 76.8 Ų | 76.8 | 33.6 Ų | 33.6 | 36% | 0.359 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.2 | 172.7 | -54.8 | -169.5 | 37.9 | 0 | 0 | 112 | D2225 T2226 T2276 | D2225-Q2248 CarbonylContact C-O 3.52Å; D2225-Q2248 VanDerWaalsContact CA-O 3.29Å; D2225-Q2248 WeakPolarHBondContact CA-O 3.34Å; D2225-Q2248 HydrophobicContact CB-CB 4.27Å; D2225-Q2248 PolarHBondContact OD1-N 2.86Å; T2226-Q2248 PolarHBondContact N-O 2.91Å; T2226-Q2248 PolarHBondContact OG1-O 2.8Å; Q2248-T2276 CarbonylContact C-O 3.51Å; Q2248-T2276 VanDerWaalsContact CA-O 3.32Å; Q2248-T2276 WeakPolarHBondContact CA-O 3.36Å |
| 2249 | L | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 111.7 | 170 | 176 | 58.6 | 0 | 0 | 0 | 109.6 | L2222 T2226 L2229 L2232 L2239 F2241 I2254 T2276 I2277 T2278 | L2222-L2249 HydrophobicContact CD2-CB 3.98Å; L2222-L2249 HydrophobicContact CD2-CD1 4.29Å; L2222-L2249 HydrophobicContact CD2-CG 4.48Å; T2226-L2249 HydrophobicContact CG2-CD1 3.63Å; T2226-L2249 WeakPolarHBondContact OG1-CA 3.28Å; L2229-L2249 HydrophobicContact CD1-CD1 4.48Å; L2232-L2249 HydrophobicContact CD2-CD1 4Å; L2232-L2249 HydrophobicContact CD2-CD2 3.95Å; L2239-L2249 HydrophobicContact CD2-CD2 4.35Å; F2241-L2249 HydrophobicContact CE1-CB 4.45Å; F2241-L2249 HydrophobicContact CE2-CD2 4.23Å; F2241-L2249 HydrophobicContact CZ-CB 3.75Å; F2241-L2249 HydrophobicContact CZ-CD2 4.12Å; L2249-I2254 HydrophobicContact CD2-CD1 3.75Å; L2249-I2254 HydrophobicContact CG-CD1 4.2Å; L2249-T2276 PolarHBondContact N-O 2.92Å; L2249-I2277 HydrophobicContact CB-CG1 4.38Å; L2249-I2277 HydrophobicContact CD2-CG1 4.38Å; L2249-I2277 CarbonylContact O-C 3.52Å; L2249-I2277 WeakPolarHBondContact O-CA 3.34Å; L2249-T2278 PolarHBondContact O-N 3.28Å |
| 2250 | N | 98.4 | Very high | 96.4 | Very high | 23 Ų | 23 | 38.1 Ų | 38.1 | 12% | 0.123 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 118.2 | 179 | -60.3 | -70.1 | 0 | 0 | 0 | 109.6 | T2226 I2228 L2229 T2278 H2280 | T2226-N2250 PolarHBondContact O-ND2 2.99Å; T2226-N2250 PolarHBondContact OG1-N 3.2Å; T2226-N2250 PolarHBondContact OG1-O 3.18Å; I2228-N2250 HydrophobicContact CG1-CB 4.34Å; L2229-N2250 PolarHBondContact N-O 2.98Å; N2250-T2278 WeakPolarHBondContact CA-O 3.33Å; N2250-T2278 VanDerWaalsContact OD1-CB 3.3Å; N2250-T2278 WeakPolarHBondContact OD1-CB 3.33Å; N2250-T2278 PolarHBondContact OD1-OG1 2.84Å; N2250-H2280 PolarHBondContact OD1-NE2 2.87Å |
| 2251 | S | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 151.6 | 177.3 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | L2229 Y2253 T2278 L2279 H2280 | L2229-S2251 WeakPolarHBondContact O-CA 3.3Å; S2251-Y2253 PolarHBondContact OG-N 2.97Å; S2251-Y2253 PolarHBondContact OG-O 3.01Å; S2251-T2278 PolarHBondContact N-O 3.34Å; S2251-T2278 VanDerWaalsContact N-O 3.12Å; S2251-L2279 CarbonylContact O-C 3.58Å; S2251-L2279 VanDerWaalsContact O-CA 3.29Å; S2251-L2279 WeakPolarHBondContact O-CA 3.32Å; S2251-H2280 PolarHBondContact O-N 3.13Å |
| 2252 | K | 96.7 | Very high | 96.5 | Very high | 43.6 Ų | 43.6 | 40.8 Ų | 40.8 | 19% | 0.19 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -74.9 | -38.2 | 169.2 | -63.2 | -173.9 | 174.7 | -154.8 | 0 | 112.6 | I2228 L2229 H2280 E2285 K2294 V2295 | I2228-K2252 HydrophobicContact CG2-CG 4.41Å; L2229-K2252 PolarHBondContact O-N 2.96Å; K2252-H2280 WeakPolarHBondContact CA-O 3.4Å; K2252-H2280 HydrophobicContact CG-CB 4.02Å; K2252-E2285 WeakPolarHBondContact CE-OE2 3.34Å; K2252-E2285 IonicContact NZ-OE1 3.77Å; K2252-E2285 PolarHBondContact NZ-OE1 3.03Å; K2252-E2285 IonicContact NZ-OE2 3.15Å; K2252-E2285 PolarHBondContact NZ-OE2 3.27Å; K2252-K2294 VanDerWaalsContact O-CA 3.28Å; K2252-K2294 WeakPolarHBondContact O-CA 3.22Å; K2252-K2294 PolarHBondContact O-N 2.84Å; K2252-V2295 PolarHBondContact O-N 2.92Å |
| 2253 | Y | 98 | Very high | 96.8 | Very high | 18.8 Ų | 18.8 | 42.7 Ų | 42.7 | 7% | 0.074 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 136.2 | 178.5 | -42.8 | -103 | 0 | 0 | 0 | 110.1 | S2230 M2231 L2232 S2251 E2285 K2286 L2288 A2293 V2295 | S2230-Y2253 VanDerWaalsContact O-CD2 3.22Å; S2230-Y2253 WeakPolarHBondContact O-CD2 3.27Å; M2231-Y2253 CarbonylContact C-O 3.54Å; M2231-Y2253 WeakPolarHBondContact CA-O 3.36Å; M2231-Y2253 HydrophobicContact CB-CD2 4.38Å; L2232-Y2253 PolarHBondContact N-O 3.27Å; S2251-Y2253 PolarHBondContact OG-N 2.97Å; S2251-Y2253 PolarHBondContact OG-O 3.01Å; Y2253-E2285 VanDerWaalsContact OH-CG 3.29Å; Y2253-E2285 WeakPolarHBondContact OH-CG 3.26Å; Y2253-E2285 PolarHBondContact OH-OE1 3.04Å; Y2253-E2285 VanDerWaalsContact OH-OE1 3.06Å; Y2253-K2286 WeakPolarHBondContact CE1-O 3.27Å; Y2253-K2286 PolarHBondContact OH-O 3.03Å; Y2253-L2288 HydrophobicContact CD1-CD1 3.48Å; Y2253-L2288 VanDerWaalsContact CD1-CD1 3.47Å; Y2253-L2288 HydrophobicContact CD1-CG 3.63Å; Y2253-L2288 HydrophobicContact CE1-CD1 4.21Å; Y2253-L2288 HydrophobicContact CE1-CG 3.82Å; Y2253-L2288 HydrophobicContact CG-CD1 3.93Å; Y2253-L2288 HydrophobicContact CG-CG 4.36Å; Y2253-A2293 HydrophobicContact CE1-CB 3.75Å; Y2253-V2295 WeakPolarHBondContact CA-O 3.42Å; Y2253-V2295 HydrophobicContact CD1-CG1 3.89Å; Y2253-V2295 HydrophobicContact CG-CG1 4.48Å |
| 2254 | I | 98.5 | Very high | 97.1 | Very high | 0.4 Ų | 0.4 | 39.6 Ų | 39.6 | 0% | 0.002 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 121.8 | 168.9 | -54.7 | 171.3 | 0 | 0 | 0 | 106.9 | L2232 L2249 I2277 L2279 V2295 L2296 A2297 | L2232-I2254 HydrophobicContact CB-CG1 4.27Å; L2232-I2254 HydrophobicContact CB-CG2 4.45Å; L2232-I2254 HydrophobicContact CD2-CG1 4.38Å; L2232-I2254 HydrophobicContact CD2-CG2 4.05Å; L2232-I2254 HydrophobicContact CG-CG2 4.3Å; L2232-I2254 CarbonylContact O-C 3.52Å; L2232-I2254 VanDerWaalsContact O-CA 3.3Å; L2232-I2254 WeakPolarHBondContact O-CA 3.29Å; L2249-I2254 HydrophobicContact CD2-CD1 3.75Å; L2249-I2254 HydrophobicContact CG-CD1 4.2Å; I2254-I2277 HydrophobicContact CD1-CG2 3.67Å; I2254-L2279 HydrophobicContact CD1-CD2 4.12Å; I2254-L2279 HydrophobicContact CG1-CD2 4.39Å; I2254-V2295 PolarHBondContact N-O 3.19Å; I2254-L2296 HydrophobicContact CB-CD1 3.72Å; I2254-L2296 HydrophobicContact CD1-CD1 4.43Å; I2254-L2296 HydrophobicContact CG2-CD1 3.53Å; I2254-L2296 CarbonylContact O-C 3.55Å; I2254-L2296 WeakPolarHBondContact O-CA 3.24Å; I2254-A2297 PolarHBondContact O-N 3.23Å |
| 2255 | L | 98.2 | Very high | 97.4 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130 | -178.8 | -179 | 62.3 | 0 | 0 | 0 | 110.7 | M2231 L2232 L2233 I2234 L2257 Y2291 A2297 | M2231-L2255 HydrophobicContact CE-CB 3.5Å; M2231-L2255 VanDerWaalsContact CE-CB 3.47Å; M2231-L2255 HydrophobicContact CE-CD2 3.63Å; M2231-L2255 HydrophobicContact CE-CG 4.2Å; L2232-L2255 PolarHBondContact O-N 3Å; L2233-L2255 CarbonylContact C-O 3.57Å; L2233-L2255 WeakPolarHBondContact CA-O 3.32Å; L2233-L2255 HydrophobicContact CD1-CB 4.04Å; L2233-L2255 HydrophobicContact CD1-CD2 4.02Å; L2233-L2255 HydrophobicContact CD1-CG 4.03Å; I2234-L2255 PolarHBondContact N-O 3.12Å; L2255-L2257 HydrophobicContact CD1-CD2 4.03Å; L2255-L2257 HydrophobicContact CD2-CD1 4.02Å; L2255-L2257 HydrophobicContact CD2-CD2 4.04Å; L2255-L2257 HydrophobicContact CD2-CG 4.16Å; L2255-L2257 HydrophobicContact CG-CD1 4.36Å; L2255-L2257 HydrophobicContact CG-CD2 3.86Å; L2255-L2257 HydrophobicContact CG-CG 4.04Å; L2255-Y2291 HydrophobicContact CD1-CD1 4.49Å; L2255-Y2291 HydrophobicContact CD1-CD2 4.28Å; L2255-Y2291 HydrophobicContact CD1-CE1 4.35Å; L2255-Y2291 HydrophobicContact CD1-CE2 3.92Å; L2255-Y2291 HydrophobicContact CD1-CG 4.48Å; L2255-Y2291 HydrophobicContact CD2-CE2 4.38Å; L2255-A2297 CarbonylContact C-O 3.55Å; L2255-A2297 WeakPolarHBondContact CA-O 3.4Å; L2255-A2297 HydrophobicContact CD1-CB 3.6Å |
| 2256 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 117.2 | -177.1 | -52.8 | 171.6 | 0 | 0 | 0 | 109.9 | I2234 G2260 L2262 L2296 A2297 L2298 R2299 N2300 I2303 | I2234-I2256 HydrophobicContact CB-CG1 4.3Å; I2234-I2256 HydrophobicContact CB-CG2 4.41Å; I2234-I2256 HydrophobicContact CD1-CG1 4.21Å; I2234-I2256 HydrophobicContact CG1-CG1 4.48Å; I2234-I2256 WeakPolarHBondContact O-CA 3.19Å; I2256-G2260 VanDerWaalsContact CG2-C 3.42Å; I2256-G2260 WeakPolarHBondContact CG2-O 3.35Å; I2256-L2262 HydrophobicContact CD1-CB 3.63Å; I2256-L2262 HydrophobicContact CD1-CD2 4.31Å; I2256-L2296 HydrophobicContact CD1-CD1 4.27Å; I2256-A2297 PolarHBondContact N-O 2.96Å; I2256-L2298 HydrophobicContact CB-CD1 3.75Å; I2256-L2298 HydrophobicContact CD1-CD1 4.41Å; I2256-L2298 HydrophobicContact CG2-CD1 3.7Å; I2256-R2299 PolarHBondContact O-N 2.98Å; I2256-R2299 VanDerWaalsContact O-N 3.12Å; I2256-N2300 PolarHBondContact O-N 2.84Å; I2256-I2303 HydrophobicContact CD1-CD1 4.05Å; I2256-I2303 HydrophobicContact CD1-CG1 3.52Å; I2256-I2303 VanDerWaalsContact CD1-CG1 3.48Å |
| 2257 | L | 96.4 | Very high | 97.1 | Very high | 38.8 Ų | 38.8 | 33 Ų | 33 | 20% | 0.203 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 165.4 | -175.8 | -40 | 169.6 | 0 | 0 | 0 | 112.3 | L2233 I2234 N2235 G2236 L2255 N2259 G2260 R2299 N2300 | L2233-L2257 HydrophobicContact CD1-CD1 3.85Å; L2233-L2257 HydrophobicContact CD1-CD2 3.75Å; L2233-L2257 HydrophobicContact CD1-CG 3.96Å; I2234-L2257 PolarHBondContact O-N 2.97Å; N2235-L2257 HydrophobicContact CB-CD1 3.88Å; N2235-L2257 VanDerWaalsContact OD1-CD1 3.32Å; N2235-L2257 WeakPolarHBondContact OD1-CD1 3.49Å; G2236-L2257 PolarHBondContact N-O 2.99Å; L2255-L2257 HydrophobicContact CD1-CD2 4.03Å; L2255-L2257 HydrophobicContact CD2-CD1 4.02Å; L2255-L2257 HydrophobicContact CD2-CD2 4.04Å; L2255-L2257 HydrophobicContact CD2-CG 4.16Å; L2255-L2257 HydrophobicContact CG-CD1 4.36Å; L2255-L2257 HydrophobicContact CG-CD2 3.86Å; L2255-L2257 HydrophobicContact CG-CG 4.04Å; L2257-N2259 PolarHBondContact O-N 2.93Å; L2257-G2260 WeakPolarHBondContact O-CA 3.25Å; L2257-G2260 PolarHBondContact O-N 2.99Å; L2257-R2299 HydrophobicContact CB-CB 4.47Å; L2257-R2299 HydrophobicContact CD2-CB 3.42Å; L2257-R2299 VanDerWaalsContact CD2-CB 3.43Å; L2257-R2299 HydrophobicContact CD2-CG 3.85Å; L2257-N2300 CarbonylContact C-O 3.53Å; L2257-N2300 VanDerWaalsContact CA-O 3.28Å; L2257-N2300 WeakPolarHBondContact CA-O 3.26Å |
| 2258 | N | 95.2 | Very high | 96.8 | Very high | 95.2 Ų | 95.2 | 40.2 Ų | 40.2 | 51% | 0.509 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 46 | 170.2 | -63.6 | -27.4 | 0 | 0 | 0 | 115 | N2235 G2236 G2260 N2300 | N2235-N2258 WeakPolarHBondContact OD1-CB 3.46Å; N2235-N2258 PolarHBondContact OD1-ND2 2.93Å; G2236-N2258 WeakPolarHBondContact CA-O 3.31Å; N2258-G2260 VanDerWaalsContact C-N 3.29Å; N2258-G2260 PolarHBondContact O-N 3.12Å; N2258-N2300 PolarHBondContact N-O 2.88Å; N2258-N2300 VanDerWaalsContact N-O 3.16Å |
| 2259 | N | 95.7 | Very high | 96.5 | Very high | 110.2 Ų | 110.2 | 43.8 Ų | 43.8 | 59% | 0.589 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 19.9 | -173.4 | -58.8 | -54.6 | 0 | 0 | 0 | 114.9 | L2257 N2300 | L2257-N2259 PolarHBondContact O-N 2.93Å; N2259-N2300 PolarHBondContact N-O 3.08Å; N2259-N2300 VanDerWaalsContact N-O 3.12Å; N2259-N2300 PolarHBondContact N-OD1 3.05Å; N2259-N2300 VanDerWaalsContact N-OD1 3.13Å; N2259-N2300 PolarHBondContact OD1-OD1 3.22Å |
| 2260 | G | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 153.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G2237 I2256 L2257 N2258 G2301 T2302 | G2237-G2260 CarbonylContact O-C 3.53Å; G2237-G2260 VanDerWaalsContact O-CA 3.27Å; G2237-G2260 WeakPolarHBondContact O-CA 3.28Å; I2256-G2260 VanDerWaalsContact CG2-C 3.42Å; I2256-G2260 WeakPolarHBondContact CG2-O 3.35Å; L2257-G2260 WeakPolarHBondContact O-CA 3.25Å; L2257-G2260 PolarHBondContact O-N 2.99Å; N2258-G2260 VanDerWaalsContact C-N 3.29Å; N2258-G2260 PolarHBondContact O-N 3.12Å; G2260-G2301 CarbonylContact O-C 3.47Å; G2260-G2301 WeakPolarHBondContact O-CA 3.38Å; G2260-T2302 PolarHBondContact O-N 3.06Å |
| 2261 | K | 98.1 | Very high | 96.3 | Very high | 91.4 Ų | 91.4 | 44.5 Ų | 44.5 | 40% | 0.397 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 129.6 | -176 | -61.3 | 178.1 | -172.9 | 171.2 | 0 | 111.6 | G2237 T2238 L2239 L2263 T2302 | G2237-K2261 PolarHBondContact O-N 3.04Å; T2238-K2261 WeakPolarHBondContact CA-O 3.29Å; T2238-K2261 HydrophobicContact CG2-CB 4.02Å; L2239-K2261 PolarHBondContact N-O 2.89Å; K2261-L2263 HydrophobicContact CB-CD1 4.5Å; K2261-L2263 HydrophobicContact CB-CD2 4.18Å; K2261-L2263 HydrophobicContact CB-CG 4.2Å; K2261-T2302 WeakPolarHBondContact CA-O 3.38Å |
| 2262 | L | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 115.1 | 166.5 | 177.3 | 62.9 | 0 | 0 | 0 | 108.6 | I2234 L2239 F2241 I2256 I2277 L2296 T2302 S2304 | I2234-L2262 HydrophobicContact CD1-CB 4.05Å; I2234-L2262 HydrophobicContact CD1-CD1 4.26Å; L2239-L2262 HydrophobicContact CB-CD1 4.28Å; L2239-L2262 HydrophobicContact CD2-CD1 4.04Å; L2239-L2262 HydrophobicContact CG-CD1 4.3Å; L2239-L2262 WeakPolarHBondContact O-CA 3.26Å; F2241-L2262 HydrophobicContact CE2-CD1 4.29Å; I2256-L2262 HydrophobicContact CD1-CB 3.63Å; I2256-L2262 HydrophobicContact CD1-CD2 4.31Å; L2262-I2277 HydrophobicContact CD2-CD1 4.19Å; L2262-L2296 HydrophobicContact CD2-CD1 3.88Å; L2262-L2296 HydrophobicContact CD2-CD2 4.29Å; L2262-T2302 PolarHBondContact N-O 3.04Å; L2262-S2304 PolarHBondContact O-N 3.07Å |
| 2263 | L | 98 | Very high | 96.1 | Very high | 49 Ų | 49 | 51 Ų | 51 | 26% | 0.257 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.2 | -172.4 | -49.4 | 178.5 | 0 | 0 | 0 | 111.3 | T2238 L2239 F2240 F2241 K2261 S2304 | T2238-L2263 HydrophobicContact CG2-CD1 3.63Å; T2238-L2263 HydrophobicContact CG2-CG 4.13Å; L2239-L2263 PolarHBondContact O-N 3.02Å; F2240-L2263 VanDerWaalsContact CA-O 3.24Å; F2240-L2263 WeakPolarHBondContact CA-O 3.35Å; F2240-L2263 HydrophobicContact CB-CB 3.87Å; F2240-L2263 HydrophobicContact CB-CD1 4.46Å; F2241-L2263 PolarHBondContact N-O 3.02Å; F2241-L2263 VanDerWaalsContact N-O 3.12Å; K2261-L2263 HydrophobicContact CB-CD1 4.5Å; K2261-L2263 HydrophobicContact CB-CD2 4.18Å; K2261-L2263 HydrophobicContact CB-CG 4.2Å; L2263-S2304 CarbonylContact C-O 3.53Å; L2263-S2304 VanDerWaalsContact CA-O 3.3Å; L2263-S2304 WeakPolarHBondContact CA-O 3.34Å |
| 2264 | I | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 95.8 | 171.4 | -50.8 | -180 | 0 | 0 | 0 | 107.5 | F2241 Y2271 A2275 I2277 S2304 I2305 H2306 I2407 | F2241-I2264 HydrophobicContact CB-CG1 4.45Å; F2241-I2264 HydrophobicContact CB-CG2 4.31Å; F2241-I2264 HydrophobicContact CD1-CD1 4.22Å; F2241-I2264 HydrophobicContact CD1-CG1 4.31Å; F2241-I2264 HydrophobicContact CD1-CG2 4.35Å; F2241-I2264 HydrophobicContact CD2-CD1 4.13Å; F2241-I2264 HydrophobicContact CD2-CG1 3.73Å; F2241-I2264 HydrophobicContact CE1-CD1 3.99Å; F2241-I2264 HydrophobicContact CE1-CG1 4.46Å; F2241-I2264 HydrophobicContact CE2-CD1 3.89Å; F2241-I2264 HydrophobicContact CE2-CG1 3.96Å; F2241-I2264 HydrophobicContact CG-CD1 4.29Å; F2241-I2264 HydrophobicContact CG-CG1 3.92Å; F2241-I2264 HydrophobicContact CG-CG2 4.3Å; F2241-I2264 HydrophobicContact CZ-CD1 3.82Å; F2241-I2264 HydrophobicContact CZ-CG1 4.35Å; I2264-Y2271 HydrophobicContact CG2-CD1 4.13Å; I2264-Y2271 HydrophobicContact CG2-CD2 3.82Å; I2264-Y2271 HydrophobicContact CG2-CE2 4.32Å; I2264-Y2271 HydrophobicContact CG2-CG 3.71Å; I2264-A2275 HydrophobicContact CG2-CB 3.9Å; I2264-I2277 HydrophobicContact CD1-CD1 4.02Å; I2264-I2277 HydrophobicContact CD1-CG1 4.4Å; I2264-S2304 PolarHBondContact N-O 3.16Å; I2264-I2305 HydrophobicContact CB-CG1 4.48Å; I2264-I2305 HydrophobicContact CB-CG2 4.26Å; I2264-I2305 HydrophobicContact CD1-CD1 4.44Å; I2264-I2305 HydrophobicContact CD1-CG1 4.39Å; I2264-I2305 HydrophobicContact CD1-CG2 4.45Å; I2264-I2305 HydrophobicContact CG1-CG1 4.39Å; I2264-H2306 PolarHBondContact O-N 3.09Å; I2264-I2407 HydrophobicContact CB-CD1 4.17Å; I2264-I2407 HydrophobicContact CD1-CG2 4.42Å; I2264-I2407 HydrophobicContact CG2-CD1 3.54Å; I2264-I2407 HydrophobicContact CG2-CG1 4.28Å |
| 2265 | G | 95.4 | Very high | 96.1 | Very high | 24.2 Ų | 24.2 | 54.9 Ų | 54.9 | 25% | 0.249 | 29% | 0.289 | C | S | . | . | trans | 69.2 | -179.9 | -169 | 0 | 0 | 0 | 0 | 0 | 113.5 | E2269 H2306 | G2265-E2269 CarbonylContact C-O 3.48Å; G2265-E2269 WeakPolarHBondContact CA-O 3.34Å; G2265-H2306 PolarHBondContact O-CD2 3.19Å | ||
| 2266 | S | 94.1 | Very high | 96.1 | Very high | 34.6 Ų | 34.6 | 55.2 Ų | 55.2 | 24% | 0.242 | 29% | 0.291 | C | S | . | . | trans | -132.3 | 170.8 | 170.9 | 86.4 | 0 | 0 | 0 | 0 | 110.4 | E2268 E2269 P2270 H2306 | S2266-E2268 WeakPolarHBondContact CB-OE2 3.05Å; S2266-E2268 PolarHBondContact O-N 3.09Å; S2266-E2268 PolarHBondContact OG-N 3.05Å; S2266-E2268 PolarHBondContact OG-OE2 3.05Å; S2266-E2269 PolarHBondContact N-O 3.07Å; S2266-E2269 CarbonylContact O-C 3.47Å; S2266-E2269 VanDerWaalsContact O-C 3.22Å; S2266-E2269 PolarHBondContact O-N 2.68Å; S2266-E2269 PolarHBondContact OG-N 3.14Å; S2266-P2270 VanDerWaalsContact O-CA 3.3Å; S2266-P2270 WeakPolarHBondContact O-CA 3.35Å; S2266-P2270 VanDerWaalsContact O-N 3.11Å; S2266-H2306 VanDerWaalsContact CA-CD2 3.47Å; S2266-H2306 WeakPolarHBondContact CA-CD2 3.44Å; S2266-H2306 WeakPolarHBondContact O-CB 3.37Å | ||
| 2267 | P | 90.9 | Very high | 96.1 | Very high | 68.4 Ų | 68.4 | 55.2 Ų | 55.2 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -58.1 | -35.1 | 172.4 | -25.2 | 35.8 | 0 | 0 | 0 | 113.7 | ||
| 2268 | E | 91.6 | Very high | 96.2 | Very high | 154.4 Ų | 154.4 | 53.5 Ų | 53.5 | 72% | 0.721 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -83 | -35 | 180 | -54.7 | 72.7 | -155.5 | 0 | 0 | 112.4 | S2266 | S2266-E2268 WeakPolarHBondContact CB-OE2 3.05Å; S2266-E2268 PolarHBondContact O-N 3.09Å; S2266-E2268 PolarHBondContact OG-N 3.05Å; S2266-E2268 PolarHBondContact OG-OE2 3.05Å |
| 2269 | E | 92 | Very high | 96.3 | Very high | 152.6 Ų | 152.6 | 49 Ų | 49 | 71% | 0.713 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -126.3 | 76.6 | 178.1 | -66.9 | -178.3 | -173.6 | 0 | 0 | 110.2 | G2265 S2266 | G2265-E2269 CarbonylContact C-O 3.48Å; G2265-E2269 WeakPolarHBondContact CA-O 3.34Å; S2266-E2269 PolarHBondContact N-O 3.07Å; S2266-E2269 CarbonylContact O-C 3.47Å; S2266-E2269 VanDerWaalsContact O-C 3.22Å; S2266-E2269 PolarHBondContact O-N 2.68Å; S2266-E2269 PolarHBondContact OG-N 3.14Å |
| 2270 | P | 95.7 | Very high | 96.3 | Very high | 36 Ų | 36 | 44.6 Ų | 44.6 | 23% | 0.234 | 24% | 0.235 | C | C | . | . | trans | -63.5 | 150.6 | 179.5 | -2.5 | 6.4 | 0 | 0 | 0 | 111.7 | S2266 T2272 H2306 G2307 P2309 | S2266-P2270 VanDerWaalsContact O-CA 3.3Å; S2266-P2270 WeakPolarHBondContact O-CA 3.35Å; S2266-P2270 VanDerWaalsContact O-N 3.11Å; P2270-T2272 WeakPolarHBondContact O-CG2 3.38Å; P2270-T2272 PolarHBondContact O-N 3.15Å; P2270-H2306 HydrophobicContact CB-CB 4.48Å; P2270-G2307 WeakPolarHBondContact CB-O 3.27Å; P2270-P2309 HydrophobicContact CB-CG 4.25Å; P2270-P2309 HydrophobicContact CG-CG 3.91Å | ||
| 2271 | Y | 97 | Very high | 96 | Very high | 1.8 Ų | 1.8 | 44.6 Ų | 44.6 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | trans | -67.3 | 121.7 | 176.6 | -156.7 | -100.4 | 0 | 0 | 0 | 109.7 | F2241 D2242 P2243 K2245 I2247 I2264 K2273 A2275 H2306 K2308 N2406 | F2241-Y2271 HydrophobicContact CB-CD2 4.41Å; F2241-Y2271 HydrophobicContact CB-CE2 3.61Å; D2242-Y2271 VanDerWaalsContact O-CE2 3.23Å; D2242-Y2271 WeakPolarHBondContact O-CE2 3.3Å; D2242-Y2271 VanDerWaalsContact O-CZ 3.29Å; D2242-Y2271 PolarHBondContact O-OH 3.02Å; P2243-Y2271 HydrophobicContact CB-CE2 4.5Å; K2245-Y2271 PolarHBondContact O-OH 3.01Å; I2247-Y2271 WeakPolarHBondContact CG1-OH 3.37Å; I2264-Y2271 HydrophobicContact CG2-CD1 4.13Å; I2264-Y2271 HydrophobicContact CG2-CD2 3.82Å; I2264-Y2271 HydrophobicContact CG2-CE2 4.32Å; I2264-Y2271 HydrophobicContact CG2-CG 3.71Å; Y2271-K2273 HydrophobicContact CD1-CB 4.24Å; Y2271-K2273 VanDerWaalsContact CD1-O 3.23Å; Y2271-K2273 WeakPolarHBondContact CD1-O 3.39Å; Y2271-K2273 HydrophobicContact CE1-CB 3.66Å; Y2271-K2273 WeakPolarHBondContact CE1-O 3.26Å; Y2271-A2275 HydrophobicContact CD1-CB 3.88Å; Y2271-A2275 HydrophobicContact CE1-CB 3.57Å; Y2271-H2306 WeakPolarHBondContact CB-O 3.37Å; Y2271-H2306 PolarHBondContact N-O 3.1Å; Y2271-K2308 PolarHBondContact O-N 2.97Å; Y2271-K2308 VanDerWaalsContact O-N 3.14Å; Y2271-N2406 PolarHBondContact O-ND2 3.16Å | ||
| 2272 | T | 94.9 | Very high | 95.6 | Very high | 94.6 Ų | 94.6 | 42.2 Ų | 42.2 | 58% | 0.58 | 23% | 0.225 | S | C | * | . | trans | -100.8 | -13.8 | -174.7 | 58.1 | 0 | 0 | 0 | 0 | 113.9 | P2270 | P2270-T2272 WeakPolarHBondContact O-CG2 3.38Å; P2270-T2272 PolarHBondContact O-N 3.15Å | ||
| 2273 | K | 96.4 | Very high | 94.9 | Very high | 85.2 Ų | 85.2 | 43.3 Ų | 43.3 | 37% | 0.37 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -93.1 | 179.2 | 178.2 | -60 | -61.7 | -178.6 | 179 | 0 | 111.2 | P2243 T2244 K2245 D2246 Y2271 N2406 | P2243-K2273 WeakPolarHBondContact O-CG 3.37Å; T2244-K2273 VanDerWaalsContact O-CE 3.29Å; T2244-K2273 WeakPolarHBondContact O-CE 3.27Å; K2245-K2273 WeakPolarHBondContact O-CB 3.36Å; K2245-K2273 WeakPolarHBondContact O-CG 3.43Å; D2246-K2273 WeakPolarHBondContact OD1-CB 3.32Å; Y2271-K2273 HydrophobicContact CD1-CB 4.24Å; Y2271-K2273 VanDerWaalsContact CD1-O 3.23Å; Y2271-K2273 WeakPolarHBondContact CD1-O 3.39Å; Y2271-K2273 HydrophobicContact CE1-CB 3.66Å; Y2271-K2273 WeakPolarHBondContact CE1-O 3.26Å; K2273-N2406 PolarHBondContact O-ND2 3.12Å |
| 2274 | Q | 97.3 | Very high | 94.3 | Very high | 101 Ų | 101 | 48 Ų | 48 | 47% | 0.472 | 25% | 0.246 | S | C | . | . | trans | -83.1 | 122 | 175.7 | -60.9 | -67.3 | 84.9 | 0 | 0 | 110.3 | D2246 I2247 N2406 | D2246-Q2274 CarbonylContact C-O 3.53Å; D2246-Q2274 WeakPolarHBondContact CA-O 3.39Å; D2246-Q2274 HydrophobicContact CB-CB 4.03Å; D2246-Q2274 WeakPolarHBondContact OD1-CB 3.41Å; D2246-Q2274 PolarHBondContact OD1-N 2.97Å; I2247-Q2274 PolarHBondContact N-O 2.91Å; Q2274-N2406 CarbonylContact C-O 3.53Å; Q2274-N2406 VanDerWaalsContact CA-O 3.31Å; Q2274-N2406 WeakPolarHBondContact CA-O 3.33Å; Q2274-N2406 VanDerWaalsContact OE1-CA 3.26Å | ||
| 2275 | A | 98.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 127.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | F2241 I2247 I2264 Y2271 N2406 I2407 L2408 | F2241-A2275 HydrophobicContact CD1-CB 3.77Å; F2241-A2275 HydrophobicContact CE1-CB 3.91Å; I2247-A2275 CarbonylContact O-C 3.44Å; I2247-A2275 WeakPolarHBondContact O-CA 3.35Å; I2264-A2275 HydrophobicContact CG2-CB 3.9Å; Y2271-A2275 HydrophobicContact CD1-CB 3.88Å; Y2271-A2275 HydrophobicContact CE1-CB 3.57Å; A2275-N2406 PolarHBondContact N-O 3.04Å; A2275-I2407 HydrophobicContact CB-CG1 4.24Å; A2275-I2407 HydrophobicContact CB-CG2 4.28Å; A2275-I2407 CarbonylContact O-C 3.39Å; A2275-I2407 VanDerWaalsContact O-CA 3.24Å; A2275-I2407 WeakPolarHBondContact O-CA 3.39Å; A2275-L2408 PolarHBondContact O-N 3.11Å |
| 2276 | T | 98.4 | Very high | 93.6 | Very high | 21.4 Ų | 21.4 | 56.8 Ų | 56.8 | 13% | 0.131 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.2 | 176.5 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | I2247 Q2248 L2249 T2278 L2408 R2410 | I2247-T2276 PolarHBondContact O-N 3.35Å; Q2248-T2276 CarbonylContact C-O 3.51Å; Q2248-T2276 VanDerWaalsContact CA-O 3.32Å; Q2248-T2276 WeakPolarHBondContact CA-O 3.36Å; L2249-T2276 PolarHBondContact N-O 2.92Å; T2276-T2278 WeakPolarHBondContact CG2-OG1 3.3Å; T2276-L2408 CarbonylContact C-O 3.45Å; T2276-L2408 VanDerWaalsContact CA-O 3.26Å; T2276-L2408 WeakPolarHBondContact CA-O 3.12Å; T2276-L2408 HydrophobicContact CG2-CB 4.26Å; T2276-L2408 HydrophobicContact CG2-CD2 4.21Å; T2276-L2408 HydrophobicContact CG2-CG 4.27Å; T2276-R2410 HydrophobicContact CG2-CG 4.43Å |
| 2277 | I | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 111.9 | 164 | -57.4 | -180 | 0 | 0 | 0 | 107.6 | F2241 L2249 I2254 L2262 I2264 L2279 L2408 I2409 R2410 | F2241-I2277 HydrophobicContact CZ-CG1 4.26Å; L2249-I2277 HydrophobicContact CB-CG1 4.38Å; L2249-I2277 HydrophobicContact CD2-CG1 4.38Å; L2249-I2277 CarbonylContact O-C 3.52Å; L2249-I2277 WeakPolarHBondContact O-CA 3.34Å; I2254-I2277 HydrophobicContact CD1-CG2 3.67Å; L2262-I2277 HydrophobicContact CD2-CD1 4.19Å; I2264-I2277 HydrophobicContact CD1-CD1 4.02Å; I2264-I2277 HydrophobicContact CD1-CG1 4.4Å; I2277-L2279 HydrophobicContact CG2-CD2 4.25Å; I2277-L2279 HydrophobicContact CG2-CG 4.47Å; I2277-L2408 PolarHBondContact N-O 3.12Å; I2277-I2409 HydrophobicContact CB-CG1 4.27Å; I2277-I2409 HydrophobicContact CB-CG2 4.48Å; I2277-I2409 HydrophobicContact CD1-CD1 4.39Å; I2277-I2409 HydrophobicContact CD1-CG1 4.38Å; I2277-I2409 WeakPolarHBondContact O-CA 3.28Å; I2277-R2410 PolarHBondContact O-N 3.11Å |
| 2278 | T | 98.4 | Very high | 93.6 | Very high | 4 Ų | 4 | 58 Ų | 58 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 116.5 | 175.4 | -56.6 | 0 | 0 | 0 | 0 | 109.5 | L2249 N2250 S2251 T2276 H2280 R2410 T2412 | L2249-T2278 PolarHBondContact O-N 3.28Å; N2250-T2278 WeakPolarHBondContact CA-O 3.33Å; N2250-T2278 VanDerWaalsContact OD1-CB 3.3Å; N2250-T2278 WeakPolarHBondContact OD1-CB 3.33Å; N2250-T2278 PolarHBondContact OD1-OG1 2.84Å; S2251-T2278 PolarHBondContact N-O 3.34Å; S2251-T2278 VanDerWaalsContact N-O 3.12Å; T2276-T2278 WeakPolarHBondContact CG2-OG1 3.3Å; T2278-H2280 WeakPolarHBondContact CG2-NE2 3.42Å; T2278-H2280 PolarHBondContact O-CD2 3.16Å; T2278-R2410 WeakPolarHBondContact CA-O 3.31Å; T2278-R2410 HydrophobicContact CG2-CG 4.34Å; T2278-R2410 PolarHBondContact OG1-NE 2.92Å; T2278-R2410 VanDerWaalsContact OG1-NE 3.16Å; T2278-R2410 PolarHBondContact OG1-NH2 2.91Å; T2278-T2412 HydrophobicContact CG2-CG2 3.34Å; T2278-T2412 VanDerWaalsContact CG2-CG2 3.47Å |
| 2279 | L | 98.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 116.5 | 175.6 | -61 | 173.8 | 0 | 0 | 0 | 109.5 | S2251 I2254 I2277 K2294 L2296 I2409 R2410 G2411 T2412 M2480 | S2251-L2279 CarbonylContact O-C 3.58Å; S2251-L2279 VanDerWaalsContact O-CA 3.29Å; S2251-L2279 WeakPolarHBondContact O-CA 3.32Å; I2254-L2279 HydrophobicContact CD1-CD2 4.12Å; I2254-L2279 HydrophobicContact CG1-CD2 4.39Å; I2277-L2279 HydrophobicContact CG2-CD2 4.25Å; I2277-L2279 HydrophobicContact CG2-CG 4.47Å; L2279-K2294 HydrophobicContact CB-CG 3.74Å; L2279-K2294 WeakPolarHBondContact O-CE 3.34Å; L2279-K2294 VanDerWaalsContact O-CG 3.31Å; L2279-K2294 WeakPolarHBondContact O-CG 3.37Å; L2279-L2296 HydrophobicContact CD1-CB 4.42Å; L2279-I2409 HydrophobicContact CD1-CG2 4.5Å; L2279-R2410 PolarHBondContact N-O 3.15Å; L2279-G2411 WeakPolarHBondContact O-CA 3.42Å; L2279-T2412 PolarHBondContact O-N 3.15Å; L2279-T2412 VanDerWaalsContact O-N 3.09Å; L2279-T2412 PolarHBondContact O-OG1 3.15Å; L2279-M2480 HydrophobicContact CD1-CE 4.4Å |
| 2280 | H | 96 | Very high | 93.5 | Very high | 18.4 Ų | 18.4 | 53.2 Ų | 53.2 | 9% | 0.085 | 26% | 0.264 | C | S | . | . | trans | -94 | 152.7 | -177.1 | -72.8 | -95.8 | 0 | 0 | 0 | 112.7 | I2228 N2250 S2251 K2252 T2278 K2294 T2412 E2414 | I2228-H2280 VanDerWaalsContact CD1-CE1 3.49Å; I2228-H2280 WeakPolarHBondContact CD1-CE1 3.43Å; I2228-H2280 HydrophobicContact CG2-CB 3.91Å; N2250-H2280 PolarHBondContact OD1-NE2 2.87Å; S2251-H2280 PolarHBondContact O-N 3.13Å; K2252-H2280 WeakPolarHBondContact CA-O 3.4Å; K2252-H2280 HydrophobicContact CG-CB 4.02Å; T2278-H2280 WeakPolarHBondContact CG2-NE2 3.42Å; T2278-H2280 PolarHBondContact O-CD2 3.16Å; H2280-K2294 WeakPolarHBondContact O-CG 3.29Å; H2280-T2412 HydrophobicContact CB-CG2 4.41Å; H2280-T2412 VanDerWaalsContact CE1-CG2 3.46Å; H2280-T2412 WeakPolarHBondContact CE1-CG2 3.25Å; H2280-T2412 VanDerWaalsContact ND1-CG2 3.35Å; H2280-T2412 WeakPolarHBondContact ND1-CG2 3.22Å; H2280-E2414 WeakPolarHBondContact CA-OE1 3.38Å; H2280-E2414 VanDerWaalsContact CB-OE1 3.26Å; H2280-E2414 WeakPolarHBondContact CB-OE1 3.29Å; H2280-E2414 IonicContact CE1-OE1 3.1Å; H2280-E2414 IonicContact CG-OE1 3.45Å; H2280-E2414 IonicContact ND1-OE1 3.09Å; H2280-E2414 PolarHBondContact ND1-OE1 3.07Å | ||
| 2281 | G | 90.9 | Very high | 93.4 | Very high | 0.2 Ų | 0.2 | 52.7 Ų | 52.7 | 0% | 0.002 | 26% | 0.258 | C | S | . | . | trans | 134.3 | 163 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K2294 E2414 | G2281-K2294 WeakPolarHBondContact O-CD 3.35Å; G2281-K2294 WeakPolarHBondContact O-CE 3.21Å; G2281-K2294 PolarHBondContact O-NZ 2.95Å; G2281-E2414 WeakPolarHBondContact CA-OE2 3.32Å; G2281-E2414 PolarHBondContact N-OE1 3.08Å; G2281-E2414 PolarHBondContact N-OE2 2.88Å; G2281-E2414 VanDerWaalsContact N-OE2 3.11Å | ||
| 2282 | H | 88.5 | Confident | 93.3 | Very high | 41.2 Ų | 41.2 | 52.6 Ų | 52.6 | 19% | 0.191 | 26% | 0.258 | C | S | . | . | trans | -126.4 | 174.1 | -177.9 | 60.1 | 85.4 | 0 | 0 | 0 | 111.7 | R2284 E2285 E2414 I2416 Y2452 | H2282-R2284 WeakPolarHBondContact ND1-CB 3.33Å; H2282-R2284 PolarHBondContact ND1-N 3.09Å; H2282-R2284 VanDerWaalsContact ND1-N 3.17Å; H2282-R2284 PolarHBondContact O-N 3.08Å; H2282-E2285 PolarHBondContact CE1-N 3.09Å; H2282-E2285 PolarHBondContact ND1-N 2.76Å; H2282-E2285 IonicContact NE2-OE2 3.88Å; H2282-E2285 VanDerWaalsContact O-CB 3.24Å; H2282-E2285 WeakPolarHBondContact O-CB 3.3Å; H2282-E2285 PolarHBondContact O-N 3.09Å; H2282-E2414 HydrophobicContact CB-CB 4.49Å; H2282-I2416 HydrophobicContact CB-CD1 3.67Å; H2282-I2416 HydrophobicContact CB-CG1 4.39Å; H2282-I2416 PolarHBondContact CE1-O 3.19Å; H2282-I2416 WeakPolarHBondContact ND1-CD1 3.42Å; H2282-Y2452 VanDerWaalsContact C-CD1 3.5Å; H2282-Y2452 VanDerWaalsContact O-CE1 3.29Å; H2282-Y2452 WeakPolarHBondContact O-CE1 3.4Å | ||
| 2283 | V | 85.3 | Confident | 93.2 | Very high | 22.8 Ų | 22.8 | 48.1 Ų | 48.1 | 14% | 0.138 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -14.7 | -173.6 | 79.3 | 0 | 0 | 0 | 0 | 115.7 | I2416 A2449 Y2452 R2485 | V2283-I2416 HydrophobicContact CB-CD1 4.35Å; V2283-I2416 HydrophobicContact CG1-CD1 3.47Å; V2283-I2416 HydrophobicContact CG1-CG1 3.78Å; V2283-I2416 HydrophobicContact CG1-CG2 4.24Å; V2283-A2449 HydrophobicContact CG1-CB 4.5Å; V2283-Y2452 HydrophobicContact CB-CD2 4.33Å; V2283-Y2452 HydrophobicContact CB-CG 4.43Å; V2283-Y2452 HydrophobicContact CG2-CD2 4.19Å; V2283-Y2452 HydrophobicContact CG2-CE2 4.43Å; V2283-R2485 VanDerWaalsContact CG2-NH1 3.34Å; V2283-R2485 VanDerWaalsContact CG2-NH2 3.28Å; V2283-R2485 PolarHBondContact O-NH2 2.99Å |
| 2284 | R | 84.1 | Confident | 93.2 | Very high | 147.6 Ų | 147.6 | 44.1 Ų | 44.1 | 56% | 0.557 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.3 | 4.9 | 179.2 | -58.9 | -177.6 | 179.7 | -174.2 | -2.1 | 113.2 | H2282 I2416 | H2282-R2284 WeakPolarHBondContact ND1-CB 3.33Å; H2282-R2284 PolarHBondContact ND1-N 3.09Å; H2282-R2284 VanDerWaalsContact ND1-N 3.17Å; H2282-R2284 PolarHBondContact O-N 3.08Å; R2284-I2416 VanDerWaalsContact CD-CG2 3.45Å; R2284-I2416 HydrophobicContact CG-CG2 3.82Å |
| 2285 | E | 87.9 | Confident | 93.2 | Very high | 31.8 Ų | 31.8 | 39.3 Ų | 39.3 | 15% | 0.149 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -61.7 | 145.5 | 175.9 | -169.2 | 68.6 | -115.8 | 0 | 0 | 109.7 | K2252 Y2253 H2282 E2287 A2293 | K2252-E2285 WeakPolarHBondContact CE-OE2 3.34Å; K2252-E2285 IonicContact NZ-OE1 3.77Å; K2252-E2285 PolarHBondContact NZ-OE1 3.03Å; K2252-E2285 IonicContact NZ-OE2 3.15Å; K2252-E2285 PolarHBondContact NZ-OE2 3.27Å; Y2253-E2285 VanDerWaalsContact OH-CG 3.29Å; Y2253-E2285 WeakPolarHBondContact OH-CG 3.26Å; Y2253-E2285 PolarHBondContact OH-OE1 3.04Å; Y2253-E2285 VanDerWaalsContact OH-OE1 3.06Å; H2282-E2285 PolarHBondContact CE1-N 3.09Å; H2282-E2285 PolarHBondContact ND1-N 2.76Å; H2282-E2285 IonicContact NE2-OE2 3.88Å; H2282-E2285 VanDerWaalsContact O-CB 3.24Å; H2282-E2285 WeakPolarHBondContact O-CB 3.3Å; H2282-E2285 PolarHBondContact O-N 3.09Å; E2285-E2287 PolarHBondContact O-N 3.05Å; E2285-A2293 HydrophobicContact CB-CB 4.12Å; E2285-A2293 HydrophobicContact CG-CB 4.1Å |
| 2286 | K | 90.3 | Very high | 93.2 | Very high | 177 Ų | 177 | 39.4 Ų | 39.4 | 77% | 0.77 | 19% | 0.191 | S | C | * | . | P | Polyproline II helix | trans | -67.2 | 123.7 | -176.2 | -70.5 | -179.8 | -179.6 | 175.5 | 0 | 110.2 | Y2253 | Y2253-K2286 WeakPolarHBondContact CE1-O 3.27Å; Y2253-K2286 PolarHBondContact OH-O 3.03Å |
| 2287 | E | 92.3 | Very high | 93.2 | Very high | 83.8 Ų | 83.8 | 38.4 Ų | 38.4 | 39% | 0.392 | 19% | 0.185 | S | C | . | . | P | Polyproline II helix | trans | -78.3 | 134.4 | 179.1 | -65.6 | -165.1 | -176.9 | 0 | 0 | 111.9 | E2285 A2293 R2485 R2488 | E2285-E2287 PolarHBondContact O-N 3.05Å; E2287-A2293 HydrophobicContact CG-CB 4.27Å; E2287-R2485 IonicContact OE1-CZ 3.26Å; E2287-R2485 IonicContact OE1-NE 3.19Å; E2287-R2485 PolarHBondContact OE1-NE 2.99Å; E2287-R2485 IonicContact OE1-NH1 2.77Å; E2287-R2485 PolarHBondContact OE1-NH1 3.28Å; E2287-R2485 IonicContact OE1-NH2 3.25Å; E2287-R2488 IonicContact OE2-CZ 3.61Å; E2287-R2488 IonicContact OE2-NE 2.81Å; E2287-R2488 IonicContact OE2-NH2 3.3Å; E2287-R2488 PolarHBondContact OE2-NH2 3.32Å; E2287-R2488 VanDerWaalsContact OE2-NH2 3.1Å |
| 2288 | L | 93.8 | Very high | 93.2 | Very high | 43.8 Ų | 43.8 | 38.4 Ų | 38.4 | 23% | 0.229 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -69.7 | 136.3 | 164.7 | -64.8 | 178.3 | 0 | 0 | 0 | 108.8 | M2231 Y2253 L2290 Y2291 G2292 | M2231-L2288 HydrophobicContact CE-CD1 4.28Å; M2231-L2288 HydrophobicContact SD-CD1 4.49Å; Y2253-L2288 HydrophobicContact CD1-CD1 3.48Å; Y2253-L2288 VanDerWaalsContact CD1-CD1 3.47Å; Y2253-L2288 HydrophobicContact CD1-CG 3.63Å; Y2253-L2288 HydrophobicContact CE1-CD1 4.21Å; Y2253-L2288 HydrophobicContact CE1-CG 3.82Å; Y2253-L2288 HydrophobicContact CG-CD1 3.93Å; Y2253-L2288 HydrophobicContact CG-CG 4.36Å; L2288-L2290 PolarHBondContact O-N 3.29Å; L2288-Y2291 HydrophobicContact CB-CD2 4.2Å; L2288-Y2291 HydrophobicContact CD1-CD2 4.5Å; L2288-Y2291 PolarHBondContact O-N 3.43Å; L2288-G2292 WeakPolarHBondContact CB-O 3.37Å; L2288-G2292 PolarHBondContact N-O 3.01Å; L2288-G2292 PolarHBondContact O-N 2.98Å |
| 2289 | P | 91.4 | Very high | 93.1 | Very high | 111.8 Ų | 111.8 | 41.5 Ų | 41.5 | 73% | 0.726 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 138.9 | 172.2 | -26.1 | 34.5 | 0 | 0 | 0 | 110.8 | Y2291 | P2289-Y2291 VanDerWaalsContact O-CD2 3.28Å; P2289-Y2291 WeakPolarHBondContact O-CD2 3.19Å; P2289-Y2291 PolarHBondContact O-N 2.83Å |
| 2290 | L | 89.2 | Confident | 93 | Very high | 94.6 Ų | 94.6 | 43.3 Ų | 43.3 | 50% | 0.495 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | -46.7 | -173.2 | -133.8 | 103.2 | 0 | 0 | 0 | 115.1 | L2288 R2488 | L2288-L2290 PolarHBondContact O-N 3.29Å; L2290-R2488 PolarHBondContact O-NH1 3.35Å |
| 2291 | Y | 94.3 | Very high | 93 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -31.9 | -167.3 | -50.5 | -65.2 | 0 | 0 | 0 | 114.2 | L2255 L2288 P2289 A2297 R2299 H2455 H2457 R2488 | L2255-Y2291 HydrophobicContact CD1-CD1 4.49Å; L2255-Y2291 HydrophobicContact CD1-CD2 4.28Å; L2255-Y2291 HydrophobicContact CD1-CE1 4.35Å; L2255-Y2291 HydrophobicContact CD1-CE2 3.92Å; L2255-Y2291 HydrophobicContact CD1-CG 4.48Å; L2255-Y2291 HydrophobicContact CD2-CE2 4.38Å; L2288-Y2291 HydrophobicContact CB-CD2 4.2Å; L2288-Y2291 HydrophobicContact CD1-CD2 4.5Å; L2288-Y2291 PolarHBondContact O-N 3.43Å; P2289-Y2291 VanDerWaalsContact O-CD2 3.28Å; P2289-Y2291 WeakPolarHBondContact O-CD2 3.19Å; P2289-Y2291 PolarHBondContact O-N 2.83Å; Y2291-A2297 HydrophobicContact CD1-CB 3.64Å; Y2291-A2297 HydrophobicContact CE1-CB 4.2Å; Y2291-A2297 HydrophobicContact CG-CB 3.91Å; Y2291-R2299 HydrophobicContact CE1-CB 4.25Å; Y2291-R2299 WeakPolarHBondContact OH-CB 3.3Å; Y2291-R2299 VanDerWaalsContact OH-CD 3.3Å; Y2291-R2299 WeakPolarHBondContact OH-CD 3.37Å; Y2291-R2299 VanDerWaalsContact OH-CG 3.27Å; Y2291-R2299 WeakPolarHBondContact OH-CG 3.35Å; Y2291-H2455 PolarHBondContact O-CE1 3.17Å; Y2291-H2455 PolarHBondContact O-NE2 3.14Å; Y2291-H2455 VanDerWaalsContact O-NE2 3.11Å; Y2291-H2457 HydrophobicContact CD1-CB 4.4Å; Y2291-H2457 AromaticContact CD1-CD2 3.76Å; Y2291-H2457 AromaticContact CD1-CG 3.98Å; Y2291-R2488 PolarHBondContact O-NE 3.5Å |
| 2292 | G | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | 87.8 | -156.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L2288 | L2288-G2292 WeakPolarHBondContact CB-O 3.37Å; L2288-G2292 PolarHBondContact N-O 3.01Å; L2288-G2292 PolarHBondContact O-N 2.98Å |
| 2293 | A | 94 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -124.6 | 160.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y2253 E2285 E2287 H2455 Q2482 | Y2253-A2293 HydrophobicContact CE1-CB 3.75Å; E2285-A2293 HydrophobicContact CB-CB 4.12Å; E2285-A2293 HydrophobicContact CG-CB 4.1Å; E2287-A2293 HydrophobicContact CG-CB 4.27Å; A2293-H2455 PolarHBondContact O-CD2 2.89Å; A2293-H2455 PolarHBondContact O-NE2 3.2Å; A2293-Q2482 PolarHBondContact O-NE2 3.18Å |
| 2294 | K | 96 | Very high | 94.4 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 60.2 | 56 | -178.3 | -160.8 | 175 | -171.3 | 169.9 | 0 | 111.3 | K2252 L2279 H2280 G2281 T2412 Y2452 G2454 H2455 | K2252-K2294 VanDerWaalsContact O-CA 3.28Å; K2252-K2294 WeakPolarHBondContact O-CA 3.22Å; K2252-K2294 PolarHBondContact O-N 2.84Å; L2279-K2294 HydrophobicContact CB-CG 3.74Å; L2279-K2294 WeakPolarHBondContact O-CE 3.34Å; L2279-K2294 VanDerWaalsContact O-CG 3.31Å; L2279-K2294 WeakPolarHBondContact O-CG 3.37Å; H2280-K2294 WeakPolarHBondContact O-CG 3.29Å; G2281-K2294 WeakPolarHBondContact O-CD 3.35Å; G2281-K2294 WeakPolarHBondContact O-CE 3.21Å; G2281-K2294 PolarHBondContact O-NZ 2.95Å; K2294-T2412 VanDerWaalsContact CE-N 3.32Å; K2294-T2412 WeakPolarHBondContact CE-OG1 3.3Å; K2294-T2412 PolarHBondContact NZ-O 3.15Å; K2294-T2412 PolarHBondContact NZ-OG1 3.38Å; K2294-Y2452 HydrophobicContact CB-CE1 4.27Å; K2294-Y2452 HydrophobicContact CD-CD1 4.03Å; K2294-Y2452 HydrophobicContact CD-CE1 3.94Å; K2294-Y2452 PolarHBondContact NZ-O 3.16Å; K2294-G2454 WeakPolarHBondContact O-CA 3.22Å; K2294-H2455 PolarHBondContact O-N 2.83Å; K2294-H2455 VanDerWaalsContact O-N 3.13Å |
| 2295 | V | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 139.6 | -160.3 | 64 | 0 | 0 | 0 | 0 | 113.1 | K2252 Y2253 I2254 A2297 H2455 H2457 | K2252-V2295 PolarHBondContact O-N 2.92Å; Y2253-V2295 WeakPolarHBondContact CA-O 3.42Å; Y2253-V2295 HydrophobicContact CD1-CG1 3.89Å; Y2253-V2295 HydrophobicContact CG-CG1 4.48Å; I2254-V2295 PolarHBondContact N-O 3.19Å; V2295-A2297 HydrophobicContact CG2-CB 3.98Å; V2295-H2455 WeakPolarHBondContact CA-O 3.33Å; V2295-H2455 VanDerWaalsContact CB-NE2 3.34Å; V2295-H2455 WeakPolarHBondContact CB-NE2 3.36Å; V2295-H2455 WeakPolarHBondContact CG2-CE1 3.38Å; V2295-H2455 VanDerWaalsContact CG2-NE2 3.33Å; V2295-H2455 WeakPolarHBondContact CG2-NE2 3.4Å; V2295-H2457 HydrophobicContact CG2-CB 4.14Å |
| 2296 | L | 98.5 | Very high | 95.6 | Very high | 1.2 Ų | 1.2 | 32.9 Ų | 32.9 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 108.4 | 156.5 | 169.4 | 60.8 | 0 | 0 | 0 | 108.3 | I2254 I2256 L2262 L2279 I2303 I2409 H2455 V2456 H2457 | I2254-L2296 HydrophobicContact CB-CD1 3.72Å; I2254-L2296 HydrophobicContact CD1-CD1 4.43Å; I2254-L2296 HydrophobicContact CG2-CD1 3.53Å; I2254-L2296 CarbonylContact O-C 3.55Å; I2254-L2296 WeakPolarHBondContact O-CA 3.24Å; I2256-L2296 HydrophobicContact CD1-CD1 4.27Å; L2262-L2296 HydrophobicContact CD2-CD1 3.88Å; L2262-L2296 HydrophobicContact CD2-CD2 4.29Å; L2279-L2296 HydrophobicContact CD1-CB 4.42Å; L2296-I2303 HydrophobicContact CD1-CD1 4.32Å; L2296-I2303 HydrophobicContact CD2-CD1 4.19Å; L2296-I2303 HydrophobicContact CG-CD1 4.11Å; L2296-I2409 HydrophobicContact CD2-CD1 4.44Å; L2296-H2455 PolarHBondContact N-O 3.07Å; L2296-V2456 HydrophobicContact CB-CG2 4.25Å; L2296-V2456 HydrophobicContact CD2-CG1 4.41Å; L2296-V2456 HydrophobicContact CD2-CG2 4.28Å; L2296-V2456 HydrophobicContact CG-CG1 4.33Å; L2296-V2456 CarbonylContact O-C 3.5Å; L2296-V2456 VanDerWaalsContact O-CA 3.3Å; L2296-V2456 WeakPolarHBondContact O-CA 3.25Å; L2296-H2457 PolarHBondContact O-N 3.05Å |
| 2297 | A | 98.2 | Very high | 96 | Very high | 0.6 Ų | 0.6 | 24.5 Ų | 24.5 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 131 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I2254 L2255 I2256 Y2291 V2295 H2457 | I2254-A2297 PolarHBondContact O-N 3.23Å; L2255-A2297 CarbonylContact C-O 3.55Å; L2255-A2297 WeakPolarHBondContact CA-O 3.4Å; L2255-A2297 HydrophobicContact CD1-CB 3.6Å; I2256-A2297 PolarHBondContact N-O 2.96Å; Y2291-A2297 HydrophobicContact CD1-CB 3.64Å; Y2291-A2297 HydrophobicContact CE1-CB 4.2Å; Y2291-A2297 HydrophobicContact CG-CB 3.91Å; V2295-A2297 HydrophobicContact CG2-CB 3.98Å; A2297-H2457 CarbonylContact C-O 3.54Å; A2297-H2457 WeakPolarHBondContact CA-O 3.32Å; A2297-H2457 HydrophobicContact CB-CB 4.47Å |
| 2298 | L | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 118.8 | 173.7 | 176.1 | 61.8 | 0 | 0 | 0 | 109.9 | I2256 G2301 I2303 H2457 I2458 G2459 V2468 V2470 | I2256-L2298 HydrophobicContact CB-CD1 3.75Å; I2256-L2298 HydrophobicContact CD1-CD1 4.41Å; I2256-L2298 HydrophobicContact CG2-CD1 3.7Å; L2298-G2301 VanDerWaalsContact CD1-C 3.5Å; L2298-I2303 HydrophobicContact CB-CD1 3.81Å; L2298-I2303 HydrophobicContact CB-CG1 4.36Å; L2298-I2303 HydrophobicContact CD2-CB 4.47Å; L2298-I2303 HydrophobicContact CD2-CD1 4.19Å; L2298-I2303 HydrophobicContact CD2-CG1 4.1Å; L2298-I2303 HydrophobicContact CG-CD1 4.49Å; L2298-H2457 PolarHBondContact N-O 2.9Å; L2298-I2458 HydrophobicContact CD2-CG2 4.4Å; L2298-G2459 PolarHBondContact O-N 2.84Å; L2298-V2468 HydrophobicContact CD2-CB 4Å; L2298-V2468 HydrophobicContact CD2-CG1 4.29Å; L2298-V2468 HydrophobicContact CG-CB 4.23Å; L2298-V2468 HydrophobicContact CG-CG1 3.95Å; L2298-V2470 HydrophobicContact CD2-CG2 3.6Å |
| 2299 | R | 96.2 | Very high | 96.2 | Very high | 69.4 Ų | 69.4 | 25.5 Ų | 25.5 | 26% | 0.262 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -112.2 | -40.7 | 178.2 | -177.4 | 56.7 | 163.7 | 174 | 7.3 | 113.1 | I2256 L2257 Y2291 G2459 G2460 P2461 V2468 | I2256-R2299 PolarHBondContact O-N 2.98Å; I2256-R2299 VanDerWaalsContact O-N 3.12Å; L2257-R2299 HydrophobicContact CB-CB 4.47Å; L2257-R2299 HydrophobicContact CD2-CB 3.42Å; L2257-R2299 VanDerWaalsContact CD2-CB 3.43Å; L2257-R2299 HydrophobicContact CD2-CG 3.85Å; Y2291-R2299 HydrophobicContact CE1-CB 4.25Å; Y2291-R2299 WeakPolarHBondContact OH-CB 3.3Å; Y2291-R2299 VanDerWaalsContact OH-CD 3.3Å; Y2291-R2299 WeakPolarHBondContact OH-CD 3.37Å; Y2291-R2299 VanDerWaalsContact OH-CG 3.27Å; Y2291-R2299 WeakPolarHBondContact OH-CG 3.35Å; R2299-G2459 WeakPolarHBondContact CA-O 3.08Å; R2299-G2459 WeakPolarHBondContact CD-O 3.41Å; R2299-G2459 PolarHBondContact NH1-O 3.36Å; R2299-G2459 VanDerWaalsContact NH1-O 3.15Å; R2299-G2460 VanDerWaalsContact NH1-C 3.31Å; R2299-G2460 PolarHBondContact NH1-O 2.97Å; R2299-G2460 WeakPolarHBondContact O-CA 3.37Å; R2299-P2461 VanDerWaalsContact CZ-CA 3.43Å; R2299-P2461 PolarHBondContact NH2-O 3.12Å; R2299-P2461 VanDerWaalsContact NH2-O 3.12Å; R2299-P2461 VanDerWaalsContact O-CD 3.29Å; R2299-P2461 WeakPolarHBondContact O-CD 3.36Å; R2299-V2468 WeakPolarHBondContact O-CG1 3.45Å |
| 2300 | N | 95.9 | Very high | 96.3 | Very high | 37.6 Ų | 37.6 | 21 Ų | 21 | 20% | 0.201 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -155.4 | 106 | 176.5 | 177.7 | -10.4 | 0 | 0 | 0 | 108.3 | I2256 L2257 N2258 N2259 A2467 | I2256-N2300 PolarHBondContact O-N 2.84Å; L2257-N2300 CarbonylContact C-O 3.53Å; L2257-N2300 VanDerWaalsContact CA-O 3.28Å; L2257-N2300 WeakPolarHBondContact CA-O 3.26Å; N2258-N2300 PolarHBondContact N-O 2.88Å; N2258-N2300 VanDerWaalsContact N-O 3.16Å; N2259-N2300 PolarHBondContact N-O 3.08Å; N2259-N2300 VanDerWaalsContact N-O 3.12Å; N2259-N2300 PolarHBondContact N-OD1 3.05Å; N2259-N2300 VanDerWaalsContact N-OD1 3.13Å; N2259-N2300 PolarHBondContact OD1-OD1 3.22Å; N2300-A2467 CarbonylContact C-O 3.39Å; N2300-A2467 WeakPolarHBondContact CA-O 3.45Å; N2300-A2467 HydrophobicContact CB-CB 4.37Å; N2300-A2467 PolarHBondContact OD1-O 3.24Å |
| 2301 | G | 96.9 | Very high | 96.4 | Very high | 2.6 Ų | 2.6 | 22.9 Ų | 22.9 | 3% | 0.027 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 153.2 | -157.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G2260 L2298 A2467 V2468 K2469 | G2260-G2301 CarbonylContact O-C 3.47Å; G2260-G2301 WeakPolarHBondContact O-CA 3.38Å; L2298-G2301 VanDerWaalsContact CD1-C 3.5Å; G2301-A2467 PolarHBondContact N-O 3.23Å; G2301-V2468 WeakPolarHBondContact O-CA 3.42Å; G2301-K2469 PolarHBondContact O-N 3.08Å; G2301-K2469 VanDerWaalsContact O-N 3.09Å |
| 2302 | T | 97.9 | Very high | 96.5 | Very high | 24.2 Ų | 24.2 | 23.4 Ų | 23.4 | 15% | 0.148 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 132 | -176.8 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | G2260 K2261 L2262 K2469 Y2471 | G2260-T2302 PolarHBondContact O-N 3.06Å; K2261-T2302 WeakPolarHBondContact CA-O 3.38Å; L2262-T2302 PolarHBondContact N-O 3.04Å; T2302-K2469 WeakPolarHBondContact CA-O 3.35Å; T2302-K2469 HydrophobicContact CG2-CB 4.09Å; T2302-Y2471 HydrophobicContact CG2-CD2 4.13Å; T2302-Y2471 HydrophobicContact CG2-CE2 4.01Å |
| 2303 | I | 98.4 | Very high | 96.7 | Very high | 0.2 Ų | 0.2 | 24 Ų | 24 | 0% | 0.001 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 118.9 | 160.8 | -68.7 | 172.2 | 0 | 0 | 0 | 107.2 | I2256 L2296 L2298 I2305 K2469 V2470 Y2471 I2472 | I2256-I2303 HydrophobicContact CD1-CD1 4.05Å; I2256-I2303 HydrophobicContact CD1-CG1 3.52Å; I2256-I2303 VanDerWaalsContact CD1-CG1 3.48Å; L2296-I2303 HydrophobicContact CD1-CD1 4.32Å; L2296-I2303 HydrophobicContact CD2-CD1 4.19Å; L2296-I2303 HydrophobicContact CG-CD1 4.11Å; L2298-I2303 HydrophobicContact CB-CD1 3.81Å; L2298-I2303 HydrophobicContact CB-CG1 4.36Å; L2298-I2303 HydrophobicContact CD2-CB 4.47Å; L2298-I2303 HydrophobicContact CD2-CD1 4.19Å; L2298-I2303 HydrophobicContact CD2-CG1 4.1Å; L2298-I2303 HydrophobicContact CG-CD1 4.49Å; I2303-I2305 HydrophobicContact CG2-CD1 3.7Å; I2303-I2305 HydrophobicContact CG2-CG1 3.82Å; I2303-K2469 PolarHBondContact N-O 3.03Å; I2303-V2470 WeakPolarHBondContact O-CA 3.25Å; I2303-Y2471 PolarHBondContact O-N 3.04Å; I2303-I2472 HydrophobicContact CG2-CG1 4.32Å |
| 2304 | S | 98.4 | Very high | 96.9 | Very high | 15.8 Ų | 15.8 | 25.6 Ų | 25.6 | 11% | 0.11 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 109.1 | 176.4 | -145.5 | 0 | 0 | 0 | 0 | 109.2 | L2262 L2263 I2264 H2306 Y2471 | L2262-S2304 PolarHBondContact O-N 3.07Å; L2263-S2304 CarbonylContact C-O 3.53Å; L2263-S2304 VanDerWaalsContact CA-O 3.3Å; L2263-S2304 WeakPolarHBondContact CA-O 3.34Å; I2264-S2304 PolarHBondContact N-O 3.16Å; S2304-H2306 PolarHBondContact OG-NE2 3.19Å; S2304-Y2471 CarbonylContact C-O 3.51Å; S2304-Y2471 WeakPolarHBondContact CA-O 3.28Å |
| 2305 | I | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 117.3 | -174.1 | -58.5 | -179.8 | 0 | 0 | 0 | 108.2 | I2264 I2303 I2407 I2409 Y2471 I2472 S2473 T2475 | I2264-I2305 HydrophobicContact CB-CG1 4.48Å; I2264-I2305 HydrophobicContact CB-CG2 4.26Å; I2264-I2305 HydrophobicContact CD1-CD1 4.44Å; I2264-I2305 HydrophobicContact CD1-CG1 4.39Å; I2264-I2305 HydrophobicContact CD1-CG2 4.45Å; I2264-I2305 HydrophobicContact CG1-CG1 4.39Å; I2303-I2305 HydrophobicContact CG2-CD1 3.7Å; I2303-I2305 HydrophobicContact CG2-CG1 3.82Å; I2305-I2407 HydrophobicContact CG2-CB 4.47Å; I2305-I2407 HydrophobicContact CG2-CD1 3.58Å; I2305-I2407 HydrophobicContact CG2-CG2 3.79Å; I2305-I2409 HydrophobicContact CD1-CD1 3.88Å; I2305-Y2471 PolarHBondContact N-O 3.25Å; I2305-I2472 CarbonylContact O-C 3.52Å; I2305-I2472 WeakPolarHBondContact O-CA 3.26Å; I2305-S2473 PolarHBondContact O-N 3.09Å; I2305-S2473 PolarHBondContact O-OG 3.09Å; I2305-T2475 HydrophobicContact CG2-CG2 4.31Å; I2305-T2475 WeakPolarHBondContact CG2-OG1 3.32Å |
| 2306 | H | 98.5 | Very high | 96.9 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.009 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 95.5 | -174 | -56.2 | -72.1 | 0 | 0 | 0 | 109.7 | I2264 G2265 S2266 P2270 Y2271 S2304 S2473 Y2503 | I2264-H2306 PolarHBondContact O-N 3.09Å; G2265-H2306 PolarHBondContact O-CD2 3.19Å; S2266-H2306 VanDerWaalsContact CA-CD2 3.47Å; S2266-H2306 WeakPolarHBondContact CA-CD2 3.44Å; S2266-H2306 WeakPolarHBondContact O-CB 3.37Å; P2270-H2306 HydrophobicContact CB-CB 4.48Å; Y2271-H2306 WeakPolarHBondContact CB-O 3.37Å; Y2271-H2306 PolarHBondContact N-O 3.1Å; S2304-H2306 PolarHBondContact OG-NE2 3.19Å; H2306-S2473 WeakPolarHBondContact CA-OG 3.43Å; H2306-S2473 PolarHBondContact ND1-OG 2.93Å; H2306-Y2503 AromaticContact CE1-CZ 3.96Å; H2306-Y2503 PolarHBondContact CE1-OH 3.07Å |
| 2307 | G | 97.9 | Very high | 96.9 | Very high | 0.2 Ų | 0.2 | 28.3 Ų | 28.3 | 0% | 0.002 | 14% | 0.14 | C | C | . | . | trans | -75.9 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | P2270 P2309 N2406 I2407 S2473 | P2270-G2307 WeakPolarHBondContact CB-O 3.27Å; G2307-P2309 VanDerWaalsContact O-CD 3.24Å; G2307-P2309 WeakPolarHBondContact O-CD 3.42Å; G2307-P2309 VanDerWaalsContact O-N 3.16Å; G2307-N2406 WeakPolarHBondContact CA-OD1 3.31Å; G2307-I2407 VanDerWaalsContact CA-CD1 3.4Å; G2307-I2407 VanDerWaalsContact N-CD1 3.29Å; G2307-S2473 PolarHBondContact N-O 3.22Å | ||
| 2308 | K | 95.7 | Very high | 96.9 | Very high | 83.8 Ų | 83.8 | 30.5 Ų | 30.5 | 36% | 0.364 | 16% | 0.158 | S | C | . | . | trans | -57.2 | 117 | 176.2 | -177 | -178.7 | 176.5 | -174.2 | 0 | 109.3 | Y2271 R2310 N2406 H2474 | Y2271-K2308 PolarHBondContact O-N 2.97Å; Y2271-K2308 VanDerWaalsContact O-N 3.14Å; K2308-R2310 PolarHBondContact O-N 3.16Å; K2308-N2406 WeakPolarHBondContact CB-OD1 3.32Å; K2308-N2406 PolarHBondContact N-OD1 3.07Å; K2308-H2474 WeakPolarHBondContact O-CB 3.37Å | ||
| 2309 | P | 94.8 | Very high | 96.8 | Very high | 64 Ų | 64 | 36.2 Ų | 36.2 | 42% | 0.416 | 19% | 0.185 | S | C | . | . | trans | -59.6 | 142.6 | 177.9 | -24.1 | 34.9 | 0 | 0 | 0 | 111.7 | P2270 G2307 H2474 | P2270-P2309 HydrophobicContact CB-CG 4.25Å; P2270-P2309 HydrophobicContact CG-CG 3.91Å; G2307-P2309 VanDerWaalsContact O-CD 3.24Å; G2307-P2309 WeakPolarHBondContact O-CD 3.42Å; G2307-P2309 VanDerWaalsContact O-N 3.16Å; P2309-H2474 VanDerWaalsContact CA-CE1 3.49Å; P2309-H2474 WeakPolarHBondContact CA-CE1 3.36Å | ||
| 2310 | R | 93.8 | Very high | 96.9 | Very high | 18 Ų | 18 | 35.1 Ų | 35.1 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | trans | -113.8 | 132.2 | 174.6 | -57.5 | -60.1 | -167.3 | 152.4 | 2.6 | 109 | K2308 I2312 I2313 D2335 W2336 E2340 L2402 H2474 | K2308-R2310 PolarHBondContact O-N 3.16Å; R2310-I2312 VanDerWaalsContact C-N 3.31Å; R2310-I2312 PolarHBondContact O-N 3.07Å; R2310-I2313 HydrophobicContact CB-CD1 3.73Å; R2310-I2313 HydrophobicContact CB-CG1 4.11Å; R2310-I2313 HydrophobicContact CG-CD1 4.18Å; R2310-D2335 WeakPolarHBondContact CA-OD2 3.08Å; R2310-D2335 VanDerWaalsContact CD-OD2 3.29Å; R2310-D2335 WeakPolarHBondContact CD-OD2 3.2Å; R2310-D2335 IonicContact CZ-OD2 3.89Å; R2310-D2335 IonicContact NE-OD2 3.54Å; R2310-D2335 PolarHBondContact NH1-O 3.18Å; R2310-D2335 VanDerWaalsContact NH1-O 3.12Å; R2310-D2335 IonicContact NH1-OD2 3.13Å; R2310-D2335 PolarHBondContact NH1-OD2 2.7Å; R2310-D2335 PolarHBondContact NH2-O 3.25Å; R2310-W2336 VanDerWaalsContact NH2-CA 3.34Å; R2310-E2340 IonicContact CZ-OE1 3.18Å; R2310-E2340 VanDerWaalsContact CZ-OE1 3.26Å; R2310-E2340 IonicContact CZ-OE2 3Å; R2310-E2340 IonicContact NH1-OE1 2.96Å; R2310-E2340 PolarHBondContact NH1-OE1 3.07Å; R2310-E2340 IonicContact NH1-OE2 3.49Å; R2310-E2340 PolarHBondContact NH1-OE2 2.9Å; R2310-E2340 IonicContact NH2-OE1 3.37Å; R2310-E2340 PolarHBondContact NH2-OE1 2.91Å; R2310-E2340 IonicContact NH2-OE2 3.1Å; R2310-E2340 PolarHBondContact NH2-OE2 2.96Å; R2310-L2402 HydrophobicContact CG-CD2 4.12Å; R2310-L2402 VanDerWaalsContact NE-CD2 3.27Å; R2310-H2474 PolarHBondContact N-CE1 3.21Å; R2310-H2474 PolarHBondContact N-NE2 2.69Å | ||
| 2311 | N | 91 | Very high | 96.9 | Very high | 135.2 Ų | 135.2 | 33.6 Ų | 33.6 | 72% | 0.723 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -65.1 | -41.5 | -177 | -70.6 | -26 | 0 | 0 | 0 | 111 | D2335 | N2311-D2335 PolarHBondContact N-OD1 2.93Å; N2311-D2335 VanDerWaalsContact N-OD1 3.13Å; N2311-D2335 PolarHBondContact N-OD2 2.77Å |
| 2312 | I | 96.4 | Very high | 96.9 | Very high | 34.4 Ų | 34.4 | 37.9 Ų | 37.9 | 18% | 0.176 | 20% | 0.198 | C | C | . | . | trans | -130.6 | 117.6 | 179.4 | -59.6 | -63.3 | 0 | 0 | 0 | 107.3 | R2310 W2314 T2315 Q2332 P2333 V2334 W2336 | R2310-I2312 VanDerWaalsContact C-N 3.31Å; R2310-I2312 PolarHBondContact O-N 3.07Å; I2312-W2314 VanDerWaalsContact CG2-O 3.32Å; I2312-W2314 WeakPolarHBondContact CG2-O 3.33Å; I2312-T2315 HydrophobicContact CG2-CG2 4.29Å; I2312-Q2332 HydrophobicContact CD1-CB 4.44Å; I2312-Q2332 HydrophobicContact CG1-CB 4.37Å; I2312-P2333 WeakPolarHBondContact CG1-O 3.28Å; I2312-V2334 HydrophobicContact CB-CG1 4.2Å; I2312-V2334 HydrophobicContact CG2-CG1 4.12Å; I2312-W2336 PolarHBondContact O-NE1 3.06Å | ||
| 2313 | I | 97.3 | Very high | 96.8 | Very high | 13.6 Ų | 13.6 | 40.1 Ų | 40.1 | 7% | 0.07 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -89.2 | -36.7 | -177.8 | -69.3 | 162.1 | 0 | 0 | 0 | 111.4 | R2310 L2402 R2405 G2506 N2529 V2531 | R2310-I2313 HydrophobicContact CB-CD1 3.73Å; R2310-I2313 HydrophobicContact CB-CG1 4.11Å; R2310-I2313 HydrophobicContact CG-CD1 4.18Å; I2313-L2402 WeakPolarHBondContact O-CB 3.23Å; I2313-L2402 PolarHBondContact O-N 3.04Å; I2313-R2405 VanDerWaalsContact CG2-NH2 3.28Å; I2313-G2506 VanDerWaalsContact CD1-CA 3.45Å; I2313-N2529 HydrophobicContact CD1-CB 3.7Å; I2313-N2529 HydrophobicContact CG1-CB 4.37Å; I2313-N2529 VanDerWaalsContact CG2-O 3.27Å; I2313-N2529 WeakPolarHBondContact CG2-O 3.18Å; I2313-V2531 HydrophobicContact CG2-CG2 3.66Å |
| 2314 | W | 98.1 | Very high | 96.8 | Very high | 32.6 Ų | 32.6 | 42.7 Ų | 42.7 | 12% | 0.123 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 152.6 | 169.1 | 64.8 | -86.9 | 0 | 0 | 0 | 108.8 | I2312 E2399 V2400 V2531 Y2554 L2556 V2589 | I2312-W2314 VanDerWaalsContact CG2-O 3.32Å; I2312-W2314 WeakPolarHBondContact CG2-O 3.33Å; W2314-E2399 HydrophobicContact CE3-CB 4.19Å; W2314-E2399 HydrophobicContact CE3-CG 3.99Å; W2314-E2399 HydrophobicContact CZ3-CB 4.44Å; W2314-E2399 HydrophobicContact CZ3-CG 3.74Å; W2314-V2400 CarbonylContact C-O 3.56Å; W2314-V2400 WeakPolarHBondContact CA-O 3.35Å; W2314-V2400 WeakPolarHBondContact CB-O 3.35Å; W2314-V2531 HydrophobicContact CB-CG2 4.09Å; W2314-V2531 HydrophobicContact CG-CG2 4.48Å; W2314-Y2554 PolarHBondContact NE1-O 3.07Å; W2314-L2556 HydrophobicContact CB-CB 4.42Å; W2314-L2556 HydrophobicContact CB-CD2 3.73Å; W2314-L2556 HydrophobicContact CD2-CB 3.95Å; W2314-L2556 HydrophobicContact CD2-CD2 4.22Å; W2314-L2556 HydrophobicContact CE3-CB 4.44Å; W2314-L2556 HydrophobicContact CE3-CD2 4.31Å; W2314-L2556 HydrophobicContact CG-CB 3.88Å; W2314-L2556 HydrophobicContact CG-CD2 3.99Å; W2314-V2589 HydrophobicContact CH2-CG2 3.55Å; W2314-V2589 HydrophobicContact CZ2-CG2 4.27Å; W2314-V2589 HydrophobicContact CZ3-CG2 3.99Å |
| 2315 | T | 97.6 | Very high | 96.7 | Very high | 3.6 Ų | 3.6 | 43.9 Ų | 43.9 | 2% | 0.022 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | -163.2 | 179.9 | -165.3 | 0 | 0 | 0 | 0 | 109.5 | I2312 L2330 Q2332 V2334 W2336 E2399 V2400 | I2312-T2315 HydrophobicContact CG2-CG2 4.29Å; T2315-L2330 HydrophobicContact CG2-CB 4.03Å; T2315-L2330 HydrophobicContact CG2-CD1 3.89Å; T2315-L2330 HydrophobicContact CG2-CD2 4.08Å; T2315-L2330 HydrophobicContact CG2-CG 4.23Å; T2315-Q2332 WeakPolarHBondContact OG1-CB 3.44Å; T2315-Q2332 PolarHBondContact OG1-OE1 3.1Å; T2315-V2334 HydrophobicContact CG2-CG1 4.28Å; T2315-W2336 HydrophobicContact CG2-CH2 4.33Å; T2315-E2399 CarbonylContact O-C 3.48Å; T2315-E2399 VanDerWaalsContact O-CA 3.28Å; T2315-E2399 WeakPolarHBondContact O-CA 3.33Å; T2315-V2400 PolarHBondContact N-O 2.98Å; T2315-V2400 PolarHBondContact O-N 2.9Å |
| 2316 | R | 97.7 | Very high | 96.7 | Very high | 56.6 Ų | 56.6 | 46.9 Ų | 46.9 | 21% | 0.214 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 157.7 | -178.6 | -75.1 | 179.3 | -175.6 | 122.4 | 2.8 | 111 | L2330 E2331 N2395 V2397 A2398 E2399 | R2316-L2330 WeakPolarHBondContact O-CA 3.33Å; R2316-E2331 HydrophobicContact CB-CB 4.49Å; R2316-E2331 HydrophobicContact CB-CG 4.1Å; R2316-E2331 PolarHBondContact O-N 3.12Å; R2316-N2395 VanDerWaalsContact CD-ND2 3.3Å; R2316-N2395 WeakPolarHBondContact CD-ND2 3.41Å; R2316-N2395 PolarHBondContact NH1-ND2 3.22Å; R2316-N2395 VanDerWaalsContact NH1-ND2 3.18Å; R2316-V2397 HydrophobicContact CB-CB 4.35Å; R2316-V2397 HydrophobicContact CB-CG1 3.67Å; R2316-V2397 HydrophobicContact CG-CB 4.38Å; R2316-V2397 HydrophobicContact CG-CG1 4.22Å; R2316-A2398 WeakPolarHBondContact CA-O 3.28Å; R2316-E2399 HydrophobicContact CG-CG 4.21Å; R2316-E2399 IonicContact CZ-OE1 3.81Å; R2316-E2399 IonicContact NE-OE1 3.71Å; R2316-E2399 PolarHBondContact NE-OE1 3.37Å; R2316-E2399 IonicContact NH1-OE1 2.62Å; R2316-E2399 IonicContact NH2-OE1 3.57Å; R2316-E2399 PolarHBondContact NH2-OE1 3.08Å |
| 2317 | L | 98.1 | Very high | 96.6 | Very high | 0.4 Ų | 0.4 | 52.2 Ų | 52.2 | 0% | 0.002 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -67.9 | 133.6 | 171 | -65.2 | -177 | 0 | 0 | 0 | 111.5 | E2319 A2321 L2328 V2329 L2330 K2381 S2383 V2397 A2398 V2400 | L2317-E2319 WeakPolarHBondContact CB-O 3.39Å; L2317-A2321 HydrophobicContact CD1-CB 4.11Å; L2317-L2328 HydrophobicContact CD2-CB 3.96Å; L2317-L2328 HydrophobicContact CD2-CD2 4.24Å; L2317-L2328 HydrophobicContact CD2-CG 4.48Å; L2317-V2329 CarbonylContact C-O 3.56Å; L2317-V2329 WeakPolarHBondContact CA-O 3.38Å; L2317-L2330 HydrophobicContact CD2-CD2 4.03Å; L2317-K2381 HydrophobicContact CD1-CB 3.53Å; L2317-K2381 VanDerWaalsContact CD1-CB 3.48Å; L2317-S2383 WeakPolarHBondContact O-CB 3.4Å; L2317-S2383 PolarHBondContact O-OG 2.96Å; L2317-V2397 HydrophobicContact CB-CG1 4.03Å; L2317-V2397 WeakPolarHBondContact O-CG1 3.31Å; L2317-A2398 HydrophobicContact CD1-CB 3.86Å; L2317-A2398 HydrophobicContact CG-CB 4.21Å; L2317-A2398 PolarHBondContact N-O 3.1Å; L2317-A2398 VanDerWaalsContact N-O 3.12Å; L2317-V2400 HydrophobicContact CD2-CG2 3.69Å; L2317-V2400 HydrophobicContact CG-CG2 4.09Å |
| 2318 | A | 97.3 | Very high | 96.6 | Very high | 46 Ų | 46 | 52.2 Ų | 52.2 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -78.1 | -26.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V2329 E2331 S2383 | A2318-V2329 HydrophobicContact CB-CB 4.42Å; A2318-V2329 HydrophobicContact CB-CG1 3.98Å; A2318-V2329 PolarHBondContact N-O 2.93Å; A2318-E2331 HydrophobicContact CB-CG 4.36Å; A2318-S2383 PolarHBondContact O-OG 3.01Å |
| 2319 | E | 96.8 | Very high | 96.7 | Very high | 119.8 Ų | 119.8 | 49.9 Ų | 49.9 | 56% | 0.56 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -136.3 | 151.8 | 179.8 | -22.1 | -174.9 | -169 | 0 | 0 | 110.9 | L2317 A2321 V2329 S2383 | L2317-E2319 WeakPolarHBondContact CB-O 3.39Å; E2319-A2321 PolarHBondContact O-N 3.22Å; E2319-V2329 HydrophobicContact CB-CB 4.29Å; E2319-V2329 HydrophobicContact CB-CG2 4.46Å; E2319-V2329 VanDerWaalsContact CD-CG2 3.46Å; E2319-V2329 HydrophobicContact CG-CB 4.16Å; E2319-V2329 HydrophobicContact CG-CG1 4.47Å; E2319-V2329 HydrophobicContact CG-CG2 4.18Å; E2319-V2329 WeakPolarHBondContact OE1-CG2 3.27Å; E2319-S2383 VanDerWaalsContact C-CB 3.41Å |
| 2320 | T | 96.9 | Very high | 96.9 | Very high | 46.2 Ų | 46.2 | 46.9 Ų | 46.9 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 126.7 | 177.6 | -67.6 | 0 | 0 | 0 | 0 | 109.5 | K2380 K2381 L2382 S2383 | T2320-K2380 VanDerWaalsContact CG2-CE 3.49Å; T2320-K2380 HydrophobicContact CG2-CG 4.29Å; T2320-K2381 CarbonylContact C-O 3.54Å; T2320-K2381 WeakPolarHBondContact CA-O 3.33Å; T2320-K2381 WeakPolarHBondContact CG2-O 3.33Å; T2320-L2382 HydrophobicContact CG2-CD2 4.12Å; T2320-S2383 PolarHBondContact OG1-N 3.16Å; T2320-S2383 PolarHBondContact OG1-O 3.07Å |
| 2321 | A | 97.2 | Very high | 97 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 6% | 0.058 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -96.8 | 117.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | L2317 E2319 T2325 L2328 L2377 K2381 | L2317-A2321 HydrophobicContact CD1-CB 4.11Å; E2319-A2321 PolarHBondContact O-N 3.22Å; A2321-T2325 HydrophobicContact CB-CG2 3.94Å; A2321-L2328 HydrophobicContact CB-CD2 3.91Å; A2321-L2377 HydrophobicContact CB-CD1 3.52Å; A2321-L2377 VanDerWaalsContact CB-CD1 3.49Å; A2321-K2381 HydrophobicContact CB-CB 4.24Å; A2321-K2381 PolarHBondContact N-O 3.17Å; A2321-K2381 PolarHBondContact O-N 2.86Å |
| 2322 | E | 96.6 | Very high | 97.3 | Very high | 92 Ų | 92 | 46.7 Ų | 46.7 | 43% | 0.43 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -82 | 150.6 | 180 | -62.6 | -62.2 | 155.5 | 0 | 0 | 111.7 | G2324 T2325 K2380 | E2322-G2324 PolarHBondContact O-N 2.88Å; E2322-T2325 WeakPolarHBondContact O-CB 3.32Å; E2322-T2325 WeakPolarHBondContact O-CG2 3.33Å; E2322-T2325 PolarHBondContact O-N 2.92Å; E2322-T2325 VanDerWaalsContact O-N 3.15Å; E2322-K2380 VanDerWaalsContact CD-NZ 3.3Å; E2322-K2380 VanDerWaalsContact OE1-CE 3.23Å; E2322-K2380 WeakPolarHBondContact OE1-CE 3.31Å; E2322-K2380 IonicContact OE1-NZ 3.11Å; E2322-K2380 PolarHBondContact OE1-NZ 2.95Å; E2322-K2380 WeakPolarHBondContact OE2-CD 3.34Å; E2322-K2380 WeakPolarHBondContact OE2-CE 3.35Å; E2322-K2380 IonicContact OE2-NZ 3.36Å; E2322-K2380 PolarHBondContact OE2-NZ 2.89Å; E2322-K2380 VanDerWaalsContact OE2-NZ 3.1Å |
| 2323 | P | 96.5 | Very high | 97.3 | Very high | 69.8 Ų | 69.8 | 48.1 Ų | 48.1 | 45% | 0.453 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 139.7 | 174.2 | -23.6 | 32.4 | 0 | 0 | 0 | 112.2 | T2325 K2380 | P2323-T2325 VanDerWaalsContact C-N 3.31Å; P2323-T2325 PolarHBondContact O-N 3.04Å; P2323-K2380 HydrophobicContact CG-CB 4.07Å |
| 2324 | G | 97.2 | Very high | 97.3 | Very high | 55.6 Ų | 55.6 | 47.6 Ų | 47.6 | 57% | 0.573 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | -11.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | E2322 P2376 L2377 | E2322-G2324 PolarHBondContact O-N 2.88Å; G2324-P2376 WeakPolarHBondContact O-CB 3.32Å; G2324-L2377 PolarHBondContact N-O 2.93Å |
| 2325 | T | 97.1 | Very high | 97.2 | Very high | 41.6 Ų | 41.6 | 47.4 Ų | 47.4 | 26% | 0.255 | 27% | 0.265 | S | S | . | . | trans | -70.9 | 146.3 | 169.4 | -167.9 | 0 | 0 | 0 | 0 | 110.7 | A2321 E2322 P2323 K2327 P2376 L2377 | A2321-T2325 HydrophobicContact CB-CG2 3.94Å; E2322-T2325 WeakPolarHBondContact O-CB 3.32Å; E2322-T2325 WeakPolarHBondContact O-CG2 3.33Å; E2322-T2325 PolarHBondContact O-N 2.92Å; E2322-T2325 VanDerWaalsContact O-N 3.15Å; P2323-T2325 VanDerWaalsContact C-N 3.31Å; P2323-T2325 PolarHBondContact O-N 3.04Å; T2325-K2327 PolarHBondContact OG1-N 3.09Å; T2325-K2327 VanDerWaalsContact OG1-N 3.12Å; T2325-K2327 PolarHBondContact OG1-O 3.06Å; T2325-P2376 CarbonylContact O-C 3.5Å; T2325-P2376 VanDerWaalsContact O-CA 3.3Å; T2325-P2376 WeakPolarHBondContact O-CA 3.24Å; T2325-L2377 HydrophobicContact CG2-CD1 3.78Å; T2325-L2377 HydrophobicContact CG2-CG 4.29Å; T2325-L2377 PolarHBondContact O-N 2.78Å | ||
| 2326 | N | 97.1 | Very high | 97.1 | Very high | 61.6 Ų | 61.6 | 47.4 Ų | 47.4 | 33% | 0.329 | 26% | 0.264 | S | S | . | . | trans | -109 | 8.3 | 166.4 | 68.9 | -21 | 0 | 0 | 0 | 112 | T2372 L2373 P2376 | N2326-T2372 WeakPolarHBondContact ND2-CG2 3.34Å; N2326-T2372 CarbonylContact O-C 3.55Å; N2326-T2372 VanDerWaalsContact O-CA 3.27Å; N2326-T2372 WeakPolarHBondContact O-CA 3.32Å; N2326-L2373 HydrophobicContact CB-CB 4.46Å; N2326-L2373 PolarHBondContact O-N 3.09Å; N2326-P2376 HydrophobicContact CB-CB 4.44Å | ||
| 2327 | K | 97.4 | Very high | 97 | Very high | 113.6 Ų | 113.6 | 49 Ų | 49 | 49% | 0.494 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131 | 179.7 | -68.4 | -174.1 | 177.1 | -173.4 | 0 | 111.2 | T2325 T2370 I2371 T2372 | T2325-K2327 PolarHBondContact OG1-N 3.09Å; T2325-K2327 VanDerWaalsContact OG1-N 3.12Å; T2325-K2327 PolarHBondContact OG1-O 3.06Å; K2327-T2370 HydrophobicContact CB-CG2 4.48Å; K2327-I2371 CarbonylContact C-O 3.38Å; K2327-I2371 WeakPolarHBondContact CA-O 3.25Å; K2327-T2372 HydrophobicContact CG-CG2 4.49Å |
| 2328 | L | 97.7 | Very high | 97 | Very high | 0.8 Ų | 0.8 | 51.8 Ų | 51.8 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129.4 | 172.9 | -52.7 | 179.8 | 0 | 0 | 0 | 109.1 | L2317 A2321 L2330 I2342 I2344 T2370 I2371 L2373 L2377 | L2317-L2328 HydrophobicContact CD2-CB 3.96Å; L2317-L2328 HydrophobicContact CD2-CD2 4.24Å; L2317-L2328 HydrophobicContact CD2-CG 4.48Å; A2321-L2328 HydrophobicContact CB-CD2 3.91Å; L2328-L2330 HydrophobicContact CB-CD2 4.46Å; L2328-I2342 HydrophobicContact CD1-CD1 4.01Å; L2328-I2344 HydrophobicContact CD1-CD1 3.55Å; L2328-I2344 HydrophobicContact CD1-CG1 4.19Å; L2328-I2344 HydrophobicContact CD2-CD1 4.39Å; L2328-T2370 CarbonylContact O-C 3.44Å; L2328-T2370 VanDerWaalsContact O-CA 3.27Å; L2328-T2370 WeakPolarHBondContact O-CA 3.38Å; L2328-I2371 HydrophobicContact CB-CB 4.4Å; L2328-I2371 PolarHBondContact N-O 3.1Å; L2328-I2371 PolarHBondContact O-N 2.93Å; L2328-L2373 HydrophobicContact CD1-CD1 4.06Å; L2328-L2373 HydrophobicContact CD1-CD2 3.87Å; L2328-L2373 HydrophobicContact CD1-CG 4.27Å; L2328-L2373 HydrophobicContact CD2-CD1 4.26Å; L2328-L2373 HydrophobicContact CG-CD1 4.05Å; L2328-L2373 HydrophobicContact CG-CD2 4.32Å; L2328-L2373 HydrophobicContact CG-CG 4.24Å; L2328-L2377 HydrophobicContact CD2-CD1 3.71Å; L2328-L2377 HydrophobicContact CD2-CD2 4.28Å; L2328-L2377 HydrophobicContact CD2-CG 4.3Å |
| 2329 | V | 98.1 | Very high | 97 | Very high | 36.2 Ų | 36.2 | 55.8 Ų | 55.8 | 22% | 0.219 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 126 | 171 | -169.8 | 0 | 0 | 0 | 0 | 107.9 | L2317 A2318 E2319 R2369 T2370 | L2317-V2329 CarbonylContact C-O 3.56Å; L2317-V2329 WeakPolarHBondContact CA-O 3.38Å; A2318-V2329 HydrophobicContact CB-CB 4.42Å; A2318-V2329 HydrophobicContact CB-CG1 3.98Å; A2318-V2329 PolarHBondContact N-O 2.93Å; E2319-V2329 HydrophobicContact CB-CB 4.29Å; E2319-V2329 HydrophobicContact CB-CG2 4.46Å; E2319-V2329 VanDerWaalsContact CD-CG2 3.46Å; E2319-V2329 HydrophobicContact CG-CB 4.16Å; E2319-V2329 HydrophobicContact CG-CG1 4.47Å; E2319-V2329 HydrophobicContact CG-CG2 4.18Å; E2319-V2329 WeakPolarHBondContact OE1-CG2 3.27Å; V2329-R2369 CarbonylContact C-O 3.54Å; V2329-T2370 HydrophobicContact CG2-CG2 4.3Å |
| 2330 | L | 98 | Very high | 97 | Very high | 0.6 Ų | 0.6 | 51.2 Ų | 51.2 | 0% | 0.003 | 29% | 0.286 | C | S | . | . | B | Isolated β-bridge | trans | -101.5 | 149.4 | -175.6 | -55.4 | -176.9 | 0 | 0 | 0 | 111.9 | T2315 R2316 L2317 L2328 Q2332 V2334 W2336 R2369 I2371 V2400 | T2315-L2330 HydrophobicContact CG2-CB 4.03Å; T2315-L2330 HydrophobicContact CG2-CD1 3.89Å; T2315-L2330 HydrophobicContact CG2-CD2 4.08Å; T2315-L2330 HydrophobicContact CG2-CG 4.23Å; R2316-L2330 WeakPolarHBondContact O-CA 3.33Å; L2317-L2330 HydrophobicContact CD2-CD2 4.03Å; L2328-L2330 HydrophobicContact CB-CD2 4.46Å; L2330-Q2332 VanDerWaalsContact C-N 3.3Å; L2330-Q2332 PolarHBondContact O-N 2.93Å; L2330-V2334 HydrophobicContact CD1-CB 4.44Å; L2330-V2334 HydrophobicContact CD1-CG1 3.66Å; L2330-V2334 HydrophobicContact CD1-CG2 3.94Å; L2330-W2336 HydrophobicContact CD1-CE3 4.48Å; L2330-W2336 HydrophobicContact CD1-CH2 4.36Å; L2330-W2336 HydrophobicContact CD1-CZ3 4.05Å; L2330-R2369 WeakPolarHBondContact CB-O 3.38Å; L2330-R2369 PolarHBondContact N-O 2.98Å; L2330-I2371 HydrophobicContact CD1-CD1 3.62Å; L2330-I2371 HydrophobicContact CD1-CG1 4.07Å; L2330-I2371 HydrophobicContact CG-CD1 4.39Å; L2330-V2400 HydrophobicContact CD2-CB 4.18Å; L2330-V2400 HydrophobicContact CD2-CG1 4.44Å; L2330-V2400 HydrophobicContact CD2-CG2 3.9Å |
| 2331 | E | 96.6 | Very high | 97.1 | Very high | 67.2 Ų | 67.2 | 52 Ų | 52 | 31% | 0.314 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -65.6 | -36 | 176.8 | -86.5 | -175.1 | 165.8 | 0 | 0 | 112.3 | R2316 A2318 R2369 K2385 | R2316-E2331 HydrophobicContact CB-CB 4.49Å; R2316-E2331 HydrophobicContact CB-CG 4.1Å; R2316-E2331 PolarHBondContact O-N 3.12Å; A2318-E2331 HydrophobicContact CB-CG 4.36Å; E2331-R2369 PolarHBondContact O-NH1 3.17Å; E2331-K2385 WeakPolarHBondContact OE1-CE 3.46Å; E2331-K2385 IonicContact OE1-NZ 3.17Å; E2331-K2385 PolarHBondContact OE1-NZ 3.25Å; E2331-K2385 VanDerWaalsContact OE1-NZ 3.12Å |
| 2332 | Q | 97 | Very high | 97.1 | Very high | 82 Ų | 82 | 51.6 Ų | 51.6 | 38% | 0.383 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -117.8 | 145.5 | -176.1 | -63.6 | 171.9 | -53.4 | 0 | 0 | 110.8 | I2312 T2315 L2330 | I2312-Q2332 HydrophobicContact CD1-CB 4.44Å; I2312-Q2332 HydrophobicContact CG1-CB 4.37Å; T2315-Q2332 WeakPolarHBondContact OG1-CB 3.44Å; T2315-Q2332 PolarHBondContact OG1-OE1 3.1Å; L2330-Q2332 VanDerWaalsContact C-N 3.3Å; L2330-Q2332 PolarHBondContact O-N 2.93Å |
| 2333 | P | 97.3 | Very high | 97.2 | Very high | 62.4 Ų | 62.4 | 47.2 Ų | 47.2 | 41% | 0.405 | 26% | 0.263 | S | S | . | . | trans | -68.3 | 136.5 | 171.4 | 30 | -33.5 | 0 | 0 | 0 | 110.6 | I2312 N2368 R2369 | I2312-P2333 WeakPolarHBondContact CG1-O 3.28Å; P2333-N2368 CarbonylContact C-O 3.52Å; P2333-N2368 VanDerWaalsContact CA-O 3.26Å; P2333-N2368 WeakPolarHBondContact CA-O 3.34Å; P2333-N2368 HydrophobicContact CB-CB 3.88Å; P2333-R2369 HydrophobicContact CB-CG 4.23Å | ||
| 2334 | V | 96.8 | Very high | 97.2 | Very high | 3.4 Ų | 3.4 | 43.9 Ų | 43.9 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | trans | -115.4 | 152.2 | -177.5 | -60.1 | 0 | 0 | 0 | 0 | 112.4 | I2312 T2315 L2330 W2336 I2364 N2368 I2371 | I2312-V2334 HydrophobicContact CB-CG1 4.2Å; I2312-V2334 HydrophobicContact CG2-CG1 4.12Å; T2315-V2334 HydrophobicContact CG2-CG1 4.28Å; L2330-V2334 HydrophobicContact CD1-CB 4.44Å; L2330-V2334 HydrophobicContact CD1-CG1 3.66Å; L2330-V2334 HydrophobicContact CD1-CG2 3.94Å; V2334-W2336 VanDerWaalsContact C-N 3.34Å; V2334-W2336 HydrophobicContact CB-CB 4.44Å; V2334-W2336 HydrophobicContact CB-CD2 3.78Å; V2334-W2336 HydrophobicContact CB-CE3 4.39Å; V2334-W2336 HydrophobicContact CB-CG 3.78Å; V2334-W2336 HydrophobicContact CB-CZ2 4.47Å; V2334-W2336 HydrophobicContact CG1-CD2 4.05Å; V2334-W2336 HydrophobicContact CG1-CE3 4.44Å; V2334-W2336 HydrophobicContact CG1-CH2 4.27Å; V2334-W2336 HydrophobicContact CG1-CZ2 3.87Å; V2334-W2336 HydrophobicContact CG1-CZ3 4.49Å; V2334-W2336 HydrophobicContact CG2-CB 4.04Å; V2334-W2336 HydrophobicContact CG2-CD2 3.77Å; V2334-W2336 HydrophobicContact CG2-CE3 4Å; V2334-W2336 HydrophobicContact CG2-CG 3.8Å; V2334-I2364 HydrophobicContact CG2-CD1 4.44Å; V2334-N2368 PolarHBondContact N-O 2.89Å; V2334-N2368 VanDerWaalsContact O-CB 3.28Å; V2334-N2368 WeakPolarHBondContact O-CB 3.31Å; V2334-I2371 HydrophobicContact CG2-CD1 4.44Å | ||
| 2335 | D | 95.7 | Very high | 97.3 | Very high | 28.8 Ų | 28.8 | 41.3 Ų | 41.3 | 15% | 0.154 | 21% | 0.214 | C | C | . | . | trans | -98.6 | 18.9 | 174.1 | 67.3 | -49.1 | 0 | 0 | 0 | 112.9 | R2310 N2311 Q2337 | R2310-D2335 WeakPolarHBondContact CA-OD2 3.08Å; R2310-D2335 VanDerWaalsContact CD-OD2 3.29Å; R2310-D2335 WeakPolarHBondContact CD-OD2 3.2Å; R2310-D2335 IonicContact CZ-OD2 3.89Å; R2310-D2335 IonicContact NE-OD2 3.54Å; R2310-D2335 PolarHBondContact NH1-O 3.18Å; R2310-D2335 VanDerWaalsContact NH1-O 3.12Å; R2310-D2335 IonicContact NH1-OD2 3.13Å; R2310-D2335 PolarHBondContact NH1-OD2 2.7Å; R2310-D2335 PolarHBondContact NH2-O 3.25Å; N2311-D2335 PolarHBondContact N-OD1 2.93Å; N2311-D2335 VanDerWaalsContact N-OD1 3.13Å; N2311-D2335 PolarHBondContact N-OD2 2.77Å; D2335-Q2337 PolarHBondContact O-NE2 2.94Å; D2335-Q2337 VanDerWaalsContact O-NE2 3.1Å | ||
| 2336 | W | 96.5 | Very high | 97.2 | Very high | 3.8 Ų | 3.8 | 39.5 Ų | 39.5 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | trans | -63.4 | 165.5 | 177.6 | -53.2 | -8.3 | 0 | 0 | 0 | 110.5 | R2310 I2312 T2315 L2330 V2334 E2340 I2342 I2361 I2364 I2371 V2400 L2402 | R2310-W2336 VanDerWaalsContact NH2-CA 3.34Å; I2312-W2336 PolarHBondContact O-NE1 3.06Å; T2315-W2336 HydrophobicContact CG2-CH2 4.33Å; L2330-W2336 HydrophobicContact CD1-CE3 4.48Å; L2330-W2336 HydrophobicContact CD1-CH2 4.36Å; L2330-W2336 HydrophobicContact CD1-CZ3 4.05Å; V2334-W2336 VanDerWaalsContact C-N 3.34Å; V2334-W2336 HydrophobicContact CB-CB 4.44Å; V2334-W2336 HydrophobicContact CB-CD2 3.78Å; V2334-W2336 HydrophobicContact CB-CE3 4.39Å; V2334-W2336 HydrophobicContact CB-CG 3.78Å; V2334-W2336 HydrophobicContact CB-CZ2 4.47Å; V2334-W2336 HydrophobicContact CG1-CD2 4.05Å; V2334-W2336 HydrophobicContact CG1-CE3 4.44Å; V2334-W2336 HydrophobicContact CG1-CH2 4.27Å; V2334-W2336 HydrophobicContact CG1-CZ2 3.87Å; V2334-W2336 HydrophobicContact CG1-CZ3 4.49Å; V2334-W2336 HydrophobicContact CG2-CB 4.04Å; V2334-W2336 HydrophobicContact CG2-CD2 3.77Å; V2334-W2336 HydrophobicContact CG2-CE3 4Å; V2334-W2336 HydrophobicContact CG2-CG 3.8Å; W2336-E2340 VanDerWaalsContact CA-OE2 3.28Å; W2336-E2340 WeakPolarHBondContact CA-OE2 3.24Å; W2336-I2342 HydrophobicContact CE3-CG2 3.78Å; W2336-I2342 HydrophobicContact CZ3-CG2 3.79Å; W2336-I2361 HydrophobicContact CB-CD1 3.85Å; W2336-I2361 HydrophobicContact CE3-CD1 3.95Å; W2336-I2364 VanDerWaalsContact C-CD1 3.42Å; W2336-I2364 HydrophobicContact CB-CD1 3.98Å; W2336-I2364 WeakPolarHBondContact O-CD1 3.35Å; W2336-I2371 HydrophobicContact CD2-CD1 4.49Å; W2336-I2371 HydrophobicContact CE3-CD1 3.36Å; W2336-I2371 HydrophobicContact CZ3-CD1 3.5Å; W2336-I2371 VanDerWaalsContact CZ3-CD1 3.47Å; W2336-V2400 HydrophobicContact CH2-CB 4.25Å; W2336-V2400 HydrophobicContact CH2-CG1 3.79Å; W2336-V2400 HydrophobicContact CZ3-CB 4.47Å; W2336-V2400 HydrophobicContact CZ3-CG1 3.7Å; W2336-L2402 HydrophobicContact CB-CD1 4.31Å; W2336-L2402 HydrophobicContact CD2-CB 4.24Å; W2336-L2402 HydrophobicContact CD2-CD1 4.07Å; W2336-L2402 HydrophobicContact CE3-CD1 4.38Å; W2336-L2402 HydrophobicContact CG-CB 4.5Å; W2336-L2402 HydrophobicContact CG-CD1 3.94Å; W2336-L2402 HydrophobicContact CG-CD2 4.22Å; W2336-L2402 HydrophobicContact CG-CG 4.44Å; W2336-L2402 HydrophobicContact CZ2-CB 4.07Å | ||
| 2337 | Q | 95.4 | Very high | 97.1 | Very high | 90 Ų | 90 | 37.1 Ų | 37.1 | 42% | 0.421 | 19% | 0.191 | S | C | . | . | trans | -129.9 | 156.2 | -174.7 | -57.8 | -61.6 | -55.3 | 0 | 0 | 111.3 | D2335 E2340 | D2335-Q2337 PolarHBondContact O-NE2 2.94Å; D2335-Q2337 VanDerWaalsContact O-NE2 3.1Å; Q2337-E2340 HydrophobicContact CB-CG 4.15Å; Q2337-E2340 PolarHBondContact N-OE2 2.84Å; Q2337-E2340 WeakPolarHBondContact O-CB 3.31Å; Q2337-E2340 WeakPolarHBondContact O-CG 3.04Å; Q2337-E2340 PolarHBondContact O-N 2.96Å | ||
| 2338 | P | 97.3 | Very high | 96.8 | Very high | 60.2 Ų | 60.2 | 32.7 Ų | 32.7 | 39% | 0.391 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.1 | 150.3 | 163.6 | -27.1 | 36.6 | 0 | 0 | 0 | 112.3 | E2340 I2361 Q2362 | P2338-E2340 PolarHBondContact O-N 2.94Å; P2338-I2361 CarbonylContact C-O 3.54Å; P2338-I2361 WeakPolarHBondContact CA-O 3.32Å; P2338-Q2362 WeakPolarHBondContact CB-O 3.27Å |
| 2339 | D | 97.1 | Very high | 96.3 | Very high | 129.4 Ų | 129.4 | 34.7 Ų | 34.7 | 69% | 0.692 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | -1.8 | -176.5 | -53.8 | -48.8 | 0 | 0 | 0 | 115.8 | I2361 | D2339-I2361 PolarHBondContact N-O 2.94Š|
| 2340 | E | 97.7 | Very high | 95.7 | Very high | 24 Ų | 24 | 37.4 Ų | 37.4 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | trans | -78.8 | 145.1 | 172.3 | -65.5 | -178 | 155.5 | 0 | 0 | 111.9 | R2310 W2336 Q2337 P2338 I2361 L2402 | R2310-E2340 IonicContact CZ-OE1 3.18Å; R2310-E2340 VanDerWaalsContact CZ-OE1 3.26Å; R2310-E2340 IonicContact CZ-OE2 3Å; R2310-E2340 IonicContact NH1-OE1 2.96Å; R2310-E2340 PolarHBondContact NH1-OE1 3.07Å; R2310-E2340 IonicContact NH1-OE2 3.49Å; R2310-E2340 PolarHBondContact NH1-OE2 2.9Å; R2310-E2340 IonicContact NH2-OE1 3.37Å; R2310-E2340 PolarHBondContact NH2-OE1 2.91Å; R2310-E2340 IonicContact NH2-OE2 3.1Å; R2310-E2340 PolarHBondContact NH2-OE2 2.96Å; W2336-E2340 VanDerWaalsContact CA-OE2 3.28Å; W2336-E2340 WeakPolarHBondContact CA-OE2 3.24Å; Q2337-E2340 HydrophobicContact CB-CG 4.15Å; Q2337-E2340 PolarHBondContact N-OE2 2.84Å; Q2337-E2340 WeakPolarHBondContact O-CB 3.31Å; Q2337-E2340 WeakPolarHBondContact O-CG 3.04Å; Q2337-E2340 PolarHBondContact O-N 2.96Å; P2338-E2340 PolarHBondContact O-N 2.94Å; E2340-I2361 HydrophobicContact CB-CD1 4.4Å; E2340-I2361 WeakPolarHBondContact O-CG1 3.23Å; E2340-I2361 PolarHBondContact O-N 3.09Å; E2340-L2402 HydrophobicContact CB-CD1 3.93Å | ||
| 2341 | H | 98.2 | Very high | 95.2 | Very high | 61.2 Ų | 61.2 | 41.7 Ų | 41.7 | 28% | 0.283 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 136.8 | 179 | -72.5 | -119.9 | 0 | 0 | 0 | 111.1 | E2358 H2359 L2403 S2404 | H2341-E2358 IonicContact CE1-OE1 2.76Å; H2341-E2358 IonicContact CG-OE1 3.07Å; H2341-E2358 IonicContact ND1-OE1 3.2Å; H2341-E2358 PolarHBondContact ND1-OE1 2.98Å; H2341-H2359 WeakPolarHBondContact CA-O 3.4Å; H2341-L2403 HydrophobicContact CB-CB 4.16Å; H2341-L2403 HydrophobicContact CB-CD1 4.44Å; H2341-L2403 WeakPolarHBondContact O-CB 3.42Å; H2341-L2403 PolarHBondContact O-N 3.03Å; H2341-S2404 PolarHBondContact N-OG 3.17Å; H2341-S2404 PolarHBondContact O-N 3.3Å |
| 2342 | I | 98.2 | Very high | 95 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 154.2 | 176.1 | 61.2 | 169.5 | 0 | 0 | 0 | 110.9 | L2328 W2336 I2344 E2358 H2359 I2361 I2371 L2373 V2400 G2401 L2402 | L2328-I2342 HydrophobicContact CD1-CD1 4.01Å; W2336-I2342 HydrophobicContact CE3-CG2 3.78Å; W2336-I2342 HydrophobicContact CZ3-CG2 3.79Å; I2342-I2344 HydrophobicContact CD1-CD1 4.38Å; I2342-I2344 HydrophobicContact CD1-CG1 4.41Å; I2342-E2358 CarbonylContact O-C 3.5Å; I2342-E2358 VanDerWaalsContact O-CA 3.3Å; I2342-E2358 WeakPolarHBondContact O-CA 3.34Å; I2342-H2359 HydrophobicContact CG1-CB 4.32Å; I2342-H2359 WeakPolarHBondContact CG1-O 3.31Å; I2342-H2359 PolarHBondContact N-O 3.27Å; I2342-H2359 PolarHBondContact O-N 2.89Å; I2342-I2361 HydrophobicContact CD1-CG1 4.42Å; I2342-I2361 HydrophobicContact CG1-CG1 4.5Å; I2342-I2361 HydrophobicContact CG2-CD1 3.79Å; I2342-I2361 HydrophobicContact CG2-CG1 4.06Å; I2342-I2371 HydrophobicContact CD1-CD1 4.48Å; I2342-I2371 HydrophobicContact CD1-CG2 4.46Å; I2342-L2373 HydrophobicContact CD1-CD2 3.75Å; I2342-V2400 HydrophobicContact CB-CG1 4.35Å; I2342-V2400 HydrophobicContact CD1-CG1 3.9Å; I2342-G2401 CarbonylContact C-O 3.5Å; I2342-G2401 VanDerWaalsContact CA-O 3.24Å; I2342-G2401 WeakPolarHBondContact CA-O 3.28Å; I2342-L2402 HydrophobicContact CG2-CD1 4.04Å |
| 2343 | I | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 135.9 | 171.5 | -177 | 58.4 | 0 | 0 | 0 | 110.1 | E2357 E2358 V2400 G2401 L2403 V2531 Y2533 V2558 | I2343-E2357 WeakPolarHBondContact CD1-O 3.31Å; I2343-E2358 HydrophobicContact CD1-CB 4.45Å; I2343-V2400 CarbonylContact O-C 3.52Å; I2343-V2400 VanDerWaalsContact O-CA 3.32Å; I2343-V2400 WeakPolarHBondContact O-CA 3.29Å; I2343-G2401 PolarHBondContact N-O 3.28Å; I2343-G2401 PolarHBondContact O-N 3.06Å; I2343-L2403 HydrophobicContact CB-CD1 4.23Å; I2343-L2403 HydrophobicContact CB-CD2 4.3Å; I2343-L2403 HydrophobicContact CB-CG 4.3Å; I2343-L2403 HydrophobicContact CG2-CD2 3.86Å; I2343-L2403 HydrophobicContact CG2-CG 4.22Å; I2343-V2531 HydrophobicContact CG2-CG1 3.75Å; I2343-Y2533 HydrophobicContact CB-CG 4.41Å; I2343-Y2533 HydrophobicContact CD1-CD1 4.26Å; I2343-Y2533 HydrophobicContact CD1-CD2 3.66Å; I2343-Y2533 HydrophobicContact CD1-CE1 4.03Å; I2343-Y2533 HydrophobicContact CD1-CE2 3.39Å; I2343-Y2533 VanDerWaalsContact CD1-CE2 3.42Å; I2343-Y2533 HydrophobicContact CD1-CG 4.1Å; I2343-Y2533 HydrophobicContact CG1-CD1 4.36Å; I2343-Y2533 HydrophobicContact CG1-CD2 3.7Å; I2343-Y2533 HydrophobicContact CG1-CE2 4.01Å; I2343-Y2533 HydrophobicContact CG1-CG 3.91Å; I2343-V2558 HydrophobicContact CD1-CG1 4.49Å; I2343-V2558 HydrophobicContact CG1-CB 4.35Å; I2343-V2558 HydrophobicContact CG1-CG1 3.99Å; I2343-V2558 HydrophobicContact CG1-CG2 4.49Å |
| 2344 | I | 97.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 119.7 | 178.5 | -50.3 | 160.8 | 0 | 0 | 0 | 108.9 | L2328 I2342 S2356 E2357 L2373 L2377 K2381 A2398 E2399 V2400 | L2328-I2344 HydrophobicContact CD1-CD1 3.55Å; L2328-I2344 HydrophobicContact CD1-CG1 4.19Å; L2328-I2344 HydrophobicContact CD2-CD1 4.39Å; I2342-I2344 HydrophobicContact CD1-CD1 4.38Å; I2342-I2344 HydrophobicContact CD1-CG1 4.41Å; I2344-S2356 VanDerWaalsContact O-CA 3.32Å; I2344-S2356 WeakPolarHBondContact O-CA 3.34Å; I2344-E2357 PolarHBondContact N-O 3.02Å; I2344-E2357 VanDerWaalsContact N-O 3.08Å; I2344-E2357 PolarHBondContact O-N 3.07Å; I2344-E2357 VanDerWaalsContact O-N 3.07Å; I2344-L2373 HydrophobicContact CD1-CD1 4.35Å; I2344-L2377 HydrophobicContact CD1-CD2 3.59Å; I2344-L2377 VanDerWaalsContact CD1-CD2 3.4Å; I2344-K2381 HydrophobicContact CG2-CB 4.38Å; I2344-K2381 HydrophobicContact CG2-CD 3.77Å; I2344-K2381 HydrophobicContact CG2-CG 3.83Å; I2344-K2381 PolarHBondContact O-NZ 2.98Å; I2344-K2381 VanDerWaalsContact O-NZ 3.13Å; I2344-A2398 HydrophobicContact CG2-CB 4.19Å; I2344-E2399 WeakPolarHBondContact CA-O 3.3Å; I2344-V2400 HydrophobicContact CG1-CG1 4.24Å; I2344-V2400 HydrophobicContact CG1-CG2 4.42Å; I2344-V2400 HydrophobicContact CG2-CG2 4.35Å |
| 2345 | T | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -65.5 | 153.6 | -175.1 | 61.1 | 0 | 0 | 0 | 0 | 112.4 | K2381 A2398 E2399 L2556 V2558 A2591 | T2345-K2381 WeakPolarHBondContact O-CD 3.35Å; T2345-K2381 PolarHBondContact O-NZ 3.18Å; T2345-A2398 WeakPolarHBondContact OG1-CA 3.18Å; T2345-E2399 HydrophobicContact CG2-CB 3.88Å; T2345-E2399 PolarHBondContact N-O 3.1Å; T2345-E2399 PolarHBondContact OG1-N 3.13Å; T2345-E2399 PolarHBondContact OG1-O 3.08Å; T2345-E2399 PolarHBondContact OG1-OE2 2.92Å; T2345-L2556 HydrophobicContact CG2-CD1 4.09Å; T2345-V2558 HydrophobicContact CG2-CB 4.47Å; T2345-V2558 HydrophobicContact CG2-CG1 4Å; T2345-V2558 HydrophobicContact CG2-CG2 3.66Å; T2345-A2591 HydrophobicContact CG2-CB 3.56Å | ||
| 2346 | S | 95.7 | Very high | 93.7 | Very high | 3.4 Ų | 3.4 | 40.3 Ų | 40.3 | 2% | 0.024 | 23% | 0.23 | C | C | . | . | trans | -69.9 | 145.2 | 166.8 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | G2348 S2352 E2355 S2356 S2592 H2631 S2632 | S2346-G2348 PolarHBondContact OG-N 2.88Å; S2346-G2348 VanDerWaalsContact OG-N 3.11Å; S2346-S2352 VanDerWaalsContact CB-O 3.25Å; S2346-S2352 WeakPolarHBondContact CB-O 3.29Å; S2346-S2352 VanDerWaalsContact OG-CB 3.26Å; S2346-S2352 WeakPolarHBondContact OG-CB 3.37Å; S2346-S2352 PolarHBondContact OG-O 2.87Å; S2346-S2352 VanDerWaalsContact OG-O 3.11Å; S2346-S2352 PolarHBondContact OG-OG 3.06Å; S2346-E2355 PolarHBondContact OG-OE2 3.04Å; S2346-S2356 PolarHBondContact N-OG 3.16Å; S2346-S2356 VanDerWaalsContact N-OG 3.09Å; S2346-S2592 VanDerWaalsContact CB-OG 3.22Å; S2346-S2592 WeakPolarHBondContact CB-OG 3.28Å; S2346-S2592 PolarHBondContact N-OG 2.87Å; S2346-S2592 VanDerWaalsContact N-OG 3.1Å; S2346-H2631 PolarHBondContact O-CE1 2.99Å; S2346-H2631 PolarHBondContact O-ND1 2.97Å; S2346-H2631 VanDerWaalsContact O-ND1 3.15Å; S2346-S2632 PolarHBondContact O-OG 3.18Å | ||
| 2347 | T | 95.2 | Very high | 93.7 | Very high | 11.8 Ų | 11.8 | 41.1 Ų | 41.1 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | trans | -115.3 | 8.9 | 170.3 | 56 | 0 | 0 | 0 | 0 | 112.6 | K2380 L2382 A2398 W2668 N2669 | T2347-K2380 PolarHBondContact OG1-O 2.98Å; T2347-L2382 HydrophobicContact CG2-CB 4.07Å; T2347-L2382 WeakPolarHBondContact OG1-CG 3.21Å; T2347-L2382 PolarHBondContact OG1-N 2.89Å; T2347-L2382 VanDerWaalsContact OG1-N 3.09Å; T2347-A2398 HydrophobicContact CG2-CB 3.6Å; T2347-W2668 HydrophobicContact CG2-CH2 3.84Å; T2347-W2668 WeakPolarHBondContact O-CZ3 3.17Å; T2347-N2669 PolarHBondContact O-ND2 3Å | ||
| 2348 | G | 90.4 | Very high | 93.8 | Very high | 22.4 Ų | 22.4 | 39.9 Ų | 39.9 | 23% | 0.231 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -77.8 | -172.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S2346 S2352 S2632 N2669 | S2346-G2348 PolarHBondContact OG-N 2.88Å; S2346-G2348 VanDerWaalsContact OG-N 3.11Å; G2348-S2352 VanDerWaalsContact CA-OG 3.26Å; G2348-S2352 WeakPolarHBondContact CA-OG 3.33Å; G2348-S2352 PolarHBondContact N-OG 3.16Å; G2348-S2352 PolarHBondContact O-OG 3.06Å; G2348-S2632 WeakPolarHBondContact O-CB 3.35Å; G2348-S2632 PolarHBondContact O-OG 3.4Å; G2348-N2669 VanDerWaalsContact O-CB 3.25Å; G2348-N2669 WeakPolarHBondContact O-CB 3.39Å; G2348-N2669 PolarHBondContact O-ND2 3.26Å; G2348-N2669 VanDerWaalsContact O-ND2 3.11Å |
| 2349 | G | 87.8 | Confident | 93.8 | Very high | 42.8 Ų | 42.8 | 37.6 Ų | 37.6 | 44% | 0.441 | 21% | 0.212 | S | C | . | . | trans | -73.2 | -173.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S2351 S2352 N2669 | G2349-S2351 PolarHBondContact O-N 3.16Å; G2349-S2352 PolarHBondContact N-OG 3.22Å; G2349-S2352 VanDerWaalsContact O-CB 3.28Å; G2349-S2352 WeakPolarHBondContact O-CB 3.39Å; G2349-S2352 PolarHBondContact O-N 3.24Å; G2349-S2352 PolarHBondContact O-OG 3.07Å; G2349-N2669 CarbonylContact C-O 3.49Å | ||
| 2350 | K | 86.6 | Confident | 93.9 | Very high | 91.8 Ų | 91.8 | 34.1 Ų | 34.1 | 40% | 0.399 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -27.1 | -178 | 69.9 | -177.3 | -174.3 | -176.8 | 0 | 115.1 | N2633 G2634 N2669 N2671 D2693 | K2350-N2633 WeakPolarHBondContact CB-O 3.3Å; K2350-G2634 VanDerWaalsContact O-CA 3.23Å; K2350-G2634 WeakPolarHBondContact O-CA 3.32Å; K2350-G2634 PolarHBondContact O-N 3.49Å; K2350-N2669 WeakPolarHBondContact CA-O 3.37Å; K2350-N2669 PolarHBondContact N-O 3.07Å; K2350-N2669 VanDerWaalsContact N-O 3.12Å; K2350-N2671 HydrophobicContact CB-CB 4.49Å; K2350-N2671 HydrophobicContact CD-CB 3.86Å; K2350-N2671 WeakPolarHBondContact CD-OD1 3.13Å; K2350-N2671 PolarHBondContact NZ-OD1 3.01Å; K2350-D2693 HydrophobicContact CD-CB 4.16Å; K2350-D2693 WeakPolarHBondContact CE-OD2 3.32Å; K2350-D2693 IonicContact NZ-OD2 3.64Å; K2350-D2693 PolarHBondContact NZ-OD2 3.17Å |
| 2351 | S | 87.5 | Confident | 93.9 | Very high | 90.8 Ų | 90.8 | 33 Ų | 33 | 64% | 0.635 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 2.4 | -179.6 | -56.4 | 0 | 0 | 0 | 0 | 114.2 | G2349 H2353 | G2349-S2351 PolarHBondContact O-N 3.16Å; S2351-H2353 VanDerWaalsContact C-N 3.31Å; S2351-H2353 PolarHBondContact O-N 2.9Å; S2351-H2353 PolarHBondContact O-ND1 3.38Å |
| 2352 | S | 90.8 | Very high | 93.9 | Very high | 4.8 Ų | 4.8 | 35.1 Ų | 35.1 | 3% | 0.034 | 20% | 0.197 | C | C | . | . | trans | -91 | 18.1 | -173.8 | 70.5 | 0 | 0 | 0 | 0 | 114.3 | S2346 G2348 G2349 N2354 E2355 | S2346-S2352 VanDerWaalsContact CB-O 3.25Å; S2346-S2352 WeakPolarHBondContact CB-O 3.29Å; S2346-S2352 VanDerWaalsContact OG-CB 3.26Å; S2346-S2352 WeakPolarHBondContact OG-CB 3.37Å; S2346-S2352 PolarHBondContact OG-O 2.87Å; S2346-S2352 VanDerWaalsContact OG-O 3.11Å; S2346-S2352 PolarHBondContact OG-OG 3.06Å; G2348-S2352 VanDerWaalsContact CA-OG 3.26Å; G2348-S2352 WeakPolarHBondContact CA-OG 3.33Å; G2348-S2352 PolarHBondContact N-OG 3.16Å; G2348-S2352 PolarHBondContact O-OG 3.06Å; G2349-S2352 PolarHBondContact N-OG 3.22Å; G2349-S2352 VanDerWaalsContact O-CB 3.28Å; G2349-S2352 WeakPolarHBondContact O-CB 3.39Å; G2349-S2352 PolarHBondContact O-N 3.24Å; G2349-S2352 PolarHBondContact O-OG 3.07Å; S2352-N2354 PolarHBondContact O-N 3.25Å; S2352-N2354 VanDerWaalsContact O-N 3.13Å; S2352-E2355 VanDerWaalsContact CB-CD 3.43Å; S2352-E2355 WeakPolarHBondContact CB-OE1 3.29Å; S2352-E2355 WeakPolarHBondContact CB-OE2 3.31Å; S2352-E2355 VanDerWaalsContact O-CB 3.31Å; S2352-E2355 WeakPolarHBondContact O-CB 3.3Å; S2352-E2355 PolarHBondContact O-N 3.15Å | ||
| 2353 | H | 84.6 | Confident | 93.9 | Very high | 46.6 Ų | 46.6 | 40.1 Ų | 40.1 | 22% | 0.216 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -58.4 | -27.4 | -176.3 | 55.2 | -109.9 | 0 | 0 | 0 | 113.3 | S2351 E2355 F2428 H2559 S2592 | S2351-H2353 VanDerWaalsContact C-N 3.31Å; S2351-H2353 PolarHBondContact O-N 2.9Å; S2351-H2353 PolarHBondContact O-ND1 3.38Å; H2353-E2355 VanDerWaalsContact C-N 3.31Å; H2353-E2355 PolarHBondContact O-N 3.02Å; H2353-F2428 AromaticContact CE1-CD1 3.65Å; H2353-F2428 AromaticContact CE1-CE1 3.95Å; H2353-F2428 AromaticContact NE2-CD1 3.42Å; H2353-F2428 WeakPolarHBondContact NE2-CD1 3.1Å; H2353-F2428 AromaticContact NE2-CE1 3.76Å; H2353-H2559 PolarHBondContact O-CE1 3.14Å; H2353-H2559 VanDerWaalsContact O-CE1 3.27Å; H2353-H2559 PolarHBondContact O-ND1 3.04Å; H2353-S2592 VanDerWaalsContact CB-O 3.25Å; H2353-S2592 WeakPolarHBondContact CB-O 3.34Å |
| 2354 | N | 86 | Confident | 93.8 | Very high | 97 Ų | 97 | 41.8 Ų | 41.8 | 52% | 0.519 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -85.4 | 0.8 | 176.6 | 24.4 | -25.7 | 0 | 0 | 0 | 114 | S2352 S2356 | S2352-N2354 PolarHBondContact O-N 3.25Å; S2352-N2354 VanDerWaalsContact O-N 3.13Å; N2354-S2356 VanDerWaalsContact C-N 3.34Å |
| 2355 | E | 94.6 | Very high | 93.7 | Very high | 55 Ų | 55 | 43.5 Ų | 43.5 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -90.7 | 1.6 | 177.5 | -57.8 | 179.2 | -169.7 | 0 | 0 | 112.3 | S2346 S2352 H2353 Y2379 K2381 | S2346-E2355 PolarHBondContact OG-OE2 3.04Å; S2352-E2355 VanDerWaalsContact CB-CD 3.43Å; S2352-E2355 WeakPolarHBondContact CB-OE1 3.29Å; S2352-E2355 WeakPolarHBondContact CB-OE2 3.31Å; S2352-E2355 VanDerWaalsContact O-CB 3.31Å; S2352-E2355 WeakPolarHBondContact O-CB 3.3Å; S2352-E2355 PolarHBondContact O-N 3.15Å; H2353-E2355 VanDerWaalsContact C-N 3.31Å; H2353-E2355 PolarHBondContact O-N 3.02Å; E2355-Y2379 HydrophobicContact CB-CD1 4.14Å; E2355-Y2379 HydrophobicContact CB-CD2 3.86Å; E2355-Y2379 HydrophobicContact CB-CE1 4.48Å; E2355-Y2379 HydrophobicContact CB-CE2 4.3Å; E2355-Y2379 HydrophobicContact CB-CG 3.78Å; E2355-Y2379 HydrophobicContact CG-CD1 3.71Å; E2355-Y2379 HydrophobicContact CG-CD2 4.22Å; E2355-Y2379 HydrophobicContact CG-CE1 3.87Å; E2355-Y2379 HydrophobicContact CG-CE2 4.37Å; E2355-Y2379 HydrophobicContact CG-CG 3.89Å; E2355-K2381 PolarHBondContact O-NZ 3.17Å |
| 2356 | S | 95.7 | Very high | 93.6 | Very high | 12.2 Ų | 12.2 | 49.7 Ų | 49.7 | 9% | 0.085 | 29% | 0.285 | C | S | . | . | trans | -72 | 135.3 | 166.3 | -69.9 | 0 | 0 | 0 | 0 | 109.8 | I2344 S2346 N2354 V2558 S2592 | I2344-S2356 VanDerWaalsContact O-CA 3.32Å; I2344-S2356 WeakPolarHBondContact O-CA 3.34Å; S2346-S2356 PolarHBondContact N-OG 3.16Å; S2346-S2356 VanDerWaalsContact N-OG 3.09Å; N2354-S2356 VanDerWaalsContact C-N 3.34Å; S2356-V2558 WeakPolarHBondContact OG-CG1 3.41Å; S2356-S2592 WeakPolarHBondContact OG-CB 3.36Å; S2356-S2592 PolarHBondContact OG-OG 3.25Å | ||
| 2357 | E | 96 | Very high | 93.6 | Very high | 19.2 Ų | 19.2 | 53.6 Ų | 53.6 | 9% | 0.09 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 127.5 | -169.8 | -47.4 | 179.9 | -118.7 | 0 | 0 | 111.7 | I2343 I2344 H2359 L2377 A2378 Y2379 K2381 | I2343-E2357 WeakPolarHBondContact CD1-O 3.31Å; I2344-E2357 PolarHBondContact N-O 3.02Å; I2344-E2357 VanDerWaalsContact N-O 3.08Å; I2344-E2357 PolarHBondContact O-N 3.07Å; I2344-E2357 VanDerWaalsContact O-N 3.07Å; E2357-H2359 WeakPolarHBondContact CB-NE2 3.41Å; E2357-H2359 WeakPolarHBondContact CG-NE2 3.43Å; E2357-H2359 IonicContact OE1-NE2 3.75Å; E2357-H2359 IonicContact OE2-CE1 3.35Å; E2357-H2359 IonicContact OE2-NE2 3.13Å; E2357-H2359 PolarHBondContact OE2-NE2 3.04Å; E2357-L2377 HydrophobicContact CG-CD2 4.34Å; E2357-L2377 WeakPolarHBondContact OE1-CB 3.49Å; E2357-L2377 WeakPolarHBondContact OE1-CD2 3.46Å; E2357-A2378 PolarHBondContact OE1-N 3.07Å; E2357-A2378 WeakPolarHBondContact OE2-CA 3.47Å; E2357-A2378 WeakPolarHBondContact OE2-CB 3.28Å; E2357-A2378 PolarHBondContact OE2-N 3.23Å; E2357-Y2379 VanDerWaalsContact CD-CD2 3.48Å; E2357-Y2379 HydrophobicContact CG-CD2 3.91Å; E2357-Y2379 HydrophobicContact CG-CE2 4.39Å; E2357-Y2379 WeakPolarHBondContact OE1-CB 3.35Å; E2357-Y2379 WeakPolarHBondContact OE1-CD2 3.32Å; E2357-Y2379 PolarHBondContact OE1-N 3.18Å; E2357-Y2379 PolarHBondContact OE2-N 2.87Å; E2357-K2381 WeakPolarHBondContact OE1-CE 3.25Å; E2357-K2381 IonicContact OE1-NZ 3.16Å; E2357-K2381 PolarHBondContact OE1-NZ 3.13Å |
| 2358 | E | 96.9 | Very high | 93.6 | Very high | 66.2 Ų | 66.2 | 56.6 Ų | 56.6 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 132 | 170.1 | -173.7 | -174.2 | 151.7 | 0 | 0 | 109.4 | H2341 I2342 I2343 L2403 K2511 Y2533 | H2341-E2358 IonicContact CE1-OE1 2.76Å; H2341-E2358 IonicContact CG-OE1 3.07Å; H2341-E2358 IonicContact ND1-OE1 3.2Å; H2341-E2358 PolarHBondContact ND1-OE1 2.98Å; I2342-E2358 CarbonylContact O-C 3.5Å; I2342-E2358 VanDerWaalsContact O-CA 3.3Å; I2342-E2358 WeakPolarHBondContact O-CA 3.34Å; I2343-E2358 HydrophobicContact CD1-CB 4.45Å; E2358-L2403 HydrophobicContact CG-CD1 3.96Å; E2358-K2511 IonicContact OE1-NZ 2.84Å; E2358-K2511 VanDerWaalsContact OE2-CE 3.27Å; E2358-K2511 WeakPolarHBondContact OE2-CE 3.18Å; E2358-K2511 IonicContact OE2-NZ 3.59Å; E2358-K2511 PolarHBondContact OE2-NZ 3.23Å; E2358-Y2533 HydrophobicContact CB-CE1 4.25Å |
| 2359 | H | 98 | Very high | 94 | Very high | 10.8 Ų | 10.8 | 60.6 Ų | 60.6 | 5% | 0.05 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 161.3 | 178.4 | -74.8 | -94.1 | 0 | 0 | 0 | 111.5 | H2341 I2342 E2357 L2373 T2375 P2376 | H2341-H2359 WeakPolarHBondContact CA-O 3.4Å; I2342-H2359 HydrophobicContact CG1-CB 4.32Å; I2342-H2359 WeakPolarHBondContact CG1-O 3.31Å; I2342-H2359 PolarHBondContact N-O 3.27Å; I2342-H2359 PolarHBondContact O-N 2.89Å; E2357-H2359 WeakPolarHBondContact CB-NE2 3.41Å; E2357-H2359 WeakPolarHBondContact CG-NE2 3.43Å; E2357-H2359 IonicContact OE1-NE2 3.75Å; E2357-H2359 IonicContact OE2-CE1 3.35Å; E2357-H2359 IonicContact OE2-NE2 3.13Å; E2357-H2359 PolarHBondContact OE2-NE2 3.04Å; H2359-L2373 HydrophobicContact CB-CB 4.5Å; H2359-L2373 HydrophobicContact CB-CD1 4.15Å; H2359-L2373 HydrophobicContact CB-CD2 3.92Å; H2359-L2373 HydrophobicContact CB-CG 4.43Å; H2359-T2375 PolarHBondContact CE1-O 3.25Å; H2359-T2375 PolarHBondContact CE1-OG1 3.44Å; H2359-T2375 PolarHBondContact ND1-O 2.91Å; H2359-T2375 VanDerWaalsContact ND1-O 3.13Å; H2359-T2375 PolarHBondContact ND1-OG1 2.92Å; H2359-T2375 VanDerWaalsContact ND1-OG1 3.08Å; H2359-P2376 PolarHBondContact CE1-O 2.98Å |
| 2360 | I | 98.5 | Very high | 94.4 | Very high | 56.6 Ų | 56.6 | 60.3 Ų | 60.3 | 29% | 0.29 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 135.9 | 175.2 | -57.5 | 173.4 | 0 | 0 | 0 | 108.9 | L2373 V2374 | I2360-L2373 WeakPolarHBondContact O-CA 3.36Å; I2360-V2374 HydrophobicContact CB-CB 4.35Å; I2360-V2374 HydrophobicContact CB-CG2 3.98Å; I2360-V2374 HydrophobicContact CG2-CG2 3.92Å; I2360-V2374 PolarHBondContact O-N 3.27Å |
| 2361 | I | 98.3 | Very high | 95 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 126.4 | 175.5 | -60.8 | 176.3 | 0 | 0 | 0 | 109.8 | W2336 P2338 D2339 E2340 I2342 I2364 I2371 | W2336-I2361 HydrophobicContact CB-CD1 3.85Å; W2336-I2361 HydrophobicContact CE3-CD1 3.95Å; P2338-I2361 CarbonylContact C-O 3.54Å; P2338-I2361 WeakPolarHBondContact CA-O 3.32Å; D2339-I2361 PolarHBondContact N-O 2.94Å; E2340-I2361 HydrophobicContact CB-CD1 4.4Å; E2340-I2361 WeakPolarHBondContact O-CG1 3.23Å; E2340-I2361 PolarHBondContact O-N 3.09Å; I2342-I2361 HydrophobicContact CD1-CG1 4.42Å; I2342-I2361 HydrophobicContact CG1-CG1 4.5Å; I2342-I2361 HydrophobicContact CG2-CD1 3.79Å; I2342-I2361 HydrophobicContact CG2-CG1 4.06Å; I2361-I2364 HydrophobicContact CD1-CD1 4.48Å; I2361-I2364 HydrophobicContact CG2-CD1 4.09Å; I2361-I2364 HydrophobicContact CG2-CG1 3.73Å; I2361-I2371 HydrophobicContact CB-CG2 4.37Å; I2361-I2371 HydrophobicContact CD1-CD1 4.15Å; I2361-I2371 HydrophobicContact CD1-CG2 4.44Å; I2361-I2371 HydrophobicContact CG1-CD1 4.5Å; I2361-I2371 HydrophobicContact CG1-CG2 3.88Å; I2361-I2371 HydrophobicContact CG2-CG2 4.05Å |
| 2362 | Q | 98 | Very high | 95.5 | Very high | 105.4 Ų | 105.4 | 51.9 Ų | 51.9 | 49% | 0.493 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | -48.5 | 171.8 | -176.5 | 177.9 | 16.1 | 0 | 0 | 111.8 | P2338 T2372 L2373 V2374 | P2338-Q2362 WeakPolarHBondContact CB-O 3.27Å; Q2362-T2372 WeakPolarHBondContact CA-O 3.38Å; Q2362-T2372 HydrophobicContact CB-CG2 4.47Å; Q2362-T2372 WeakPolarHBondContact CB-O 3.39Å; Q2362-T2372 PolarHBondContact N-O 2.97Å; Q2362-L2373 PolarHBondContact OE1-O 3.38Å; Q2362-V2374 HydrophobicContact CB-CG2 3.93Å |
| 2363 | E | 97.2 | Very high | 95.8 | Very high | 104.6 Ų | 104.6 | 51.7 Ų | 51.7 | 49% | 0.489 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 160.9 | -179.6 | 56.7 | 168.4 | -161 | 0 | 0 | 110.4 | T2372 | E2363-T2372 HydrophobicContact CG-CG2 4.18Å; E2363-T2372 WeakPolarHBondContact CG-OG1 3.37Å; E2363-T2372 PolarHBondContact N-O 3.08Å; E2363-T2372 PolarHBondContact O-N 3.18Å; E2363-T2372 PolarHBondContact OE1-OG1 3.04Å |
| 2364 | I | 96.4 | Very high | 96.5 | Very high | 37.4 Ų | 37.4 | 53.3 Ų | 53.3 | 19% | 0.192 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 136 | 176.9 | -56.3 | 171.2 | 0 | 0 | 0 | 108.1 | V2334 W2336 I2361 T2370 I2371 | V2334-I2364 HydrophobicContact CG2-CD1 4.44Å; W2336-I2364 VanDerWaalsContact C-CD1 3.42Å; W2336-I2364 HydrophobicContact CB-CD1 3.98Å; W2336-I2364 WeakPolarHBondContact O-CD1 3.35Å; I2361-I2364 HydrophobicContact CD1-CD1 4.48Å; I2361-I2364 HydrophobicContact CG2-CD1 4.09Å; I2361-I2364 HydrophobicContact CG2-CG1 3.73Å; I2364-T2370 CarbonylContact C-O 3.31Å; I2364-T2370 WeakPolarHBondContact CA-O 3.32Å; I2364-I2371 HydrophobicContact CG1-CG1 4.38Å |
| 2365 | S | 96.6 | Very high | 97 | Very high | 35.4 Ų | 35.4 | 52.1 Ų | 52.1 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | trans | -63.5 | 158.8 | 178 | 56.9 | 0 | 0 | 0 | 0 | 112.6 | D2367 N2368 T2370 | S2365-D2367 WeakPolarHBondContact CB-OD1 3.35Å; S2365-D2367 PolarHBondContact O-N 2.96Å; S2365-D2367 VanDerWaalsContact O-N 3.15Å; S2365-D2367 PolarHBondContact OG-OD1 3.08Å; S2365-N2368 WeakPolarHBondContact O-CA 3.26Å; S2365-N2368 PolarHBondContact O-N 2.96Å; S2365-N2368 PolarHBondContact O-OD1 3.1Å; S2365-T2370 PolarHBondContact N-O 2.96Å; S2365-T2370 WeakPolarHBondContact OG-CA 3.34Å; S2365-T2370 VanDerWaalsContact OG-CB 3.31Å; S2365-T2370 WeakPolarHBondContact OG-CB 3.37Å; S2365-T2370 PolarHBondContact OG-N 2.95Å; S2365-T2370 PolarHBondContact OG-O 3.14Å | ||
| 2366 | S | 94.9 | Very high | 97.2 | Very high | 130 Ų | 130 | 53 Ų | 53 | 91% | 0.909 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.6 | -177.9 | 56.4 | 0 | 0 | 0 | 0 | 115.1 | N2368 | S2366-N2368 VanDerWaalsContact C-N 3.3Š|
| 2367 | D | 95.5 | Very high | 97.2 | Very high | 85 Ų | 85 | 52.6 Ų | 52.6 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 2.6 | 173.9 | 71.5 | -17.5 | 0 | 0 | 0 | 113.1 | S2365 R2369 | S2365-D2367 WeakPolarHBondContact CB-OD1 3.35Å; S2365-D2367 PolarHBondContact O-N 2.96Å; S2365-D2367 VanDerWaalsContact O-N 3.15Å; S2365-D2367 PolarHBondContact OG-OD1 3.08Å; D2367-R2369 VanDerWaalsContact C-N 3.25Å; D2367-R2369 PolarHBondContact O-N 3.11Å; D2367-R2369 PolarHBondContact OD1-N 3.27Å; D2367-R2369 VanDerWaalsContact OD1-N 3.15Å |
| 2368 | N | 96.4 | Very high | 97.3 | Very high | 73.6 Ų | 73.6 | 54.7 Ų | 54.7 | 39% | 0.394 | 31% | 0.307 | S | S | . | . | S | Bend | trans | 61.6 | 19.7 | 179.5 | -69.1 | -15.7 | 0 | 0 | 0 | 115.3 | P2333 V2334 S2365 S2366 | P2333-N2368 CarbonylContact C-O 3.52Å; P2333-N2368 VanDerWaalsContact CA-O 3.26Å; P2333-N2368 WeakPolarHBondContact CA-O 3.34Å; P2333-N2368 HydrophobicContact CB-CB 3.88Å; V2334-N2368 PolarHBondContact N-O 2.89Å; V2334-N2368 VanDerWaalsContact O-CB 3.28Å; V2334-N2368 WeakPolarHBondContact O-CB 3.31Å; S2365-N2368 WeakPolarHBondContact O-CA 3.26Å; S2365-N2368 PolarHBondContact O-N 2.96Å; S2365-N2368 PolarHBondContact O-OD1 3.1Å; S2366-N2368 VanDerWaalsContact C-N 3.3Å |
| 2369 | R | 97.3 | Very high | 97.2 | Very high | 108.4 Ų | 108.4 | 55.9 Ų | 55.9 | 41% | 0.409 | 31% | 0.309 | S | S | . | . | trans | -110.1 | -20.9 | -176.6 | -71.7 | 176.4 | 175.8 | -141.9 | -2.6 | 114.7 | V2329 L2330 E2331 P2333 D2367 | V2329-R2369 CarbonylContact C-O 3.54Å; L2330-R2369 WeakPolarHBondContact CB-O 3.38Å; L2330-R2369 PolarHBondContact N-O 2.98Å; E2331-R2369 PolarHBondContact O-NH1 3.17Å; P2333-R2369 HydrophobicContact CB-CG 4.23Å; D2367-R2369 VanDerWaalsContact C-N 3.25Å; D2367-R2369 PolarHBondContact O-N 3.11Å; D2367-R2369 PolarHBondContact OD1-N 3.27Å; D2367-R2369 VanDerWaalsContact OD1-N 3.15Å | ||
| 2370 | T | 97.9 | Very high | 97.1 | Very high | 34.6 Ų | 34.6 | 58.6 Ų | 58.6 | 21% | 0.212 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 123.3 | -179.5 | -51 | 0 | 0 | 0 | 0 | 109.9 | K2327 L2328 V2329 I2364 S2365 | K2327-T2370 HydrophobicContact CB-CG2 4.48Å; L2328-T2370 CarbonylContact O-C 3.44Å; L2328-T2370 VanDerWaalsContact O-CA 3.27Å; L2328-T2370 WeakPolarHBondContact O-CA 3.38Å; V2329-T2370 HydrophobicContact CG2-CG2 4.3Å; I2364-T2370 CarbonylContact C-O 3.31Å; I2364-T2370 WeakPolarHBondContact CA-O 3.32Å; S2365-T2370 PolarHBondContact N-O 2.96Å; S2365-T2370 WeakPolarHBondContact OG-CA 3.34Å; S2365-T2370 VanDerWaalsContact OG-CB 3.31Å; S2365-T2370 WeakPolarHBondContact OG-CB 3.37Å; S2365-T2370 PolarHBondContact OG-N 2.95Å; S2365-T2370 PolarHBondContact OG-O 3.14Å |
| 2371 | I | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 129.3 | 175 | -64.4 | -176.5 | 0 | 0 | 0 | 108.3 | K2327 L2328 L2330 V2334 W2336 I2342 I2361 I2364 L2373 | K2327-I2371 CarbonylContact C-O 3.38Å; K2327-I2371 WeakPolarHBondContact CA-O 3.25Å; L2328-I2371 HydrophobicContact CB-CB 4.4Å; L2328-I2371 PolarHBondContact N-O 3.1Å; L2328-I2371 PolarHBondContact O-N 2.93Å; L2330-I2371 HydrophobicContact CD1-CD1 3.62Å; L2330-I2371 HydrophobicContact CD1-CG1 4.07Å; L2330-I2371 HydrophobicContact CG-CD1 4.39Å; V2334-I2371 HydrophobicContact CG2-CD1 4.44Å; W2336-I2371 HydrophobicContact CD2-CD1 4.49Å; W2336-I2371 HydrophobicContact CE3-CD1 3.36Å; W2336-I2371 HydrophobicContact CZ3-CD1 3.5Å; W2336-I2371 VanDerWaalsContact CZ3-CD1 3.47Å; I2342-I2371 HydrophobicContact CD1-CD1 4.48Å; I2342-I2371 HydrophobicContact CD1-CG2 4.46Å; I2361-I2371 HydrophobicContact CB-CG2 4.37Å; I2361-I2371 HydrophobicContact CD1-CD1 4.15Å; I2361-I2371 HydrophobicContact CD1-CG2 4.44Å; I2361-I2371 HydrophobicContact CG1-CD1 4.5Å; I2361-I2371 HydrophobicContact CG1-CG2 3.88Å; I2361-I2371 HydrophobicContact CG2-CG2 4.05Å; I2364-I2371 HydrophobicContact CG1-CG1 4.38Å; I2371-L2373 HydrophobicContact CG2-CD2 3.78Å |
| 2372 | T | 98.2 | Very high | 96.9 | Very high | 7.8 Ų | 7.8 | 56.9 Ų | 56.9 | 5% | 0.048 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 129.8 | 164.5 | -53.6 | 0 | 0 | 0 | 0 | 108.5 | N2326 K2327 Q2362 E2363 | N2326-T2372 WeakPolarHBondContact ND2-CG2 3.34Å; N2326-T2372 CarbonylContact O-C 3.55Å; N2326-T2372 VanDerWaalsContact O-CA 3.27Å; N2326-T2372 WeakPolarHBondContact O-CA 3.32Å; K2327-T2372 HydrophobicContact CG-CG2 4.49Å; Q2362-T2372 WeakPolarHBondContact CA-O 3.38Å; Q2362-T2372 HydrophobicContact CB-CG2 4.47Å; Q2362-T2372 WeakPolarHBondContact CB-O 3.39Å; Q2362-T2372 PolarHBondContact N-O 2.97Å; E2363-T2372 HydrophobicContact CG-CG2 4.18Å; E2363-T2372 WeakPolarHBondContact CG-OG1 3.37Å; E2363-T2372 PolarHBondContact N-O 3.08Å; E2363-T2372 PolarHBondContact O-N 3.18Å; E2363-T2372 PolarHBondContact OE1-OG1 3.04Å |
| 2373 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 148.3 | -179.8 | -52.4 | 176.8 | 0 | 0 | 0 | 110.8 | N2326 L2328 I2342 I2344 H2359 I2360 Q2362 I2371 T2375 L2377 | N2326-L2373 HydrophobicContact CB-CB 4.46Å; N2326-L2373 PolarHBondContact O-N 3.09Å; L2328-L2373 HydrophobicContact CD1-CD1 4.06Å; L2328-L2373 HydrophobicContact CD1-CD2 3.87Å; L2328-L2373 HydrophobicContact CD1-CG 4.27Å; L2328-L2373 HydrophobicContact CD2-CD1 4.26Å; L2328-L2373 HydrophobicContact CG-CD1 4.05Å; L2328-L2373 HydrophobicContact CG-CD2 4.32Å; L2328-L2373 HydrophobicContact CG-CG 4.24Å; I2342-L2373 HydrophobicContact CD1-CD2 3.75Å; I2344-L2373 HydrophobicContact CD1-CD1 4.35Å; H2359-L2373 HydrophobicContact CB-CB 4.5Å; H2359-L2373 HydrophobicContact CB-CD1 4.15Å; H2359-L2373 HydrophobicContact CB-CD2 3.92Å; H2359-L2373 HydrophobicContact CB-CG 4.43Å; I2360-L2373 WeakPolarHBondContact O-CA 3.36Å; Q2362-L2373 PolarHBondContact OE1-O 3.38Å; I2371-L2373 HydrophobicContact CG2-CD2 3.78Å; L2373-T2375 VanDerWaalsContact C-N 3.32Å; L2373-T2375 VanDerWaalsContact CB-O 3.25Å; L2373-T2375 WeakPolarHBondContact CB-O 3.34Å; L2373-T2375 PolarHBondContact O-N 2.88Å; L2373-L2377 HydrophobicContact CD1-CD2 3.88Å; L2373-L2377 HydrophobicContact CD1-CG 4.15Å |
| 2374 | V | 98 | Very high | 96.7 | Very high | 79.6 Ų | 79.6 | 49.4 Ų | 49.4 | 48% | 0.482 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -63.7 | -40 | 173.6 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | I2360 Q2362 | I2360-V2374 HydrophobicContact CB-CB 4.35Å; I2360-V2374 HydrophobicContact CB-CG2 3.98Å; I2360-V2374 HydrophobicContact CG2-CG2 3.92Å; I2360-V2374 PolarHBondContact O-N 3.27Å; Q2362-V2374 HydrophobicContact CB-CG2 3.93Å |
| 2375 | T | 97.4 | Very high | 96.6 | Very high | 72.2 Ų | 72.2 | 54.1 Ų | 54.1 | 44% | 0.443 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -116.1 | 142.2 | 177.7 | 49 | 0 | 0 | 0 | 0 | 110.7 | H2359 L2373 | H2359-T2375 PolarHBondContact CE1-O 3.25Å; H2359-T2375 PolarHBondContact CE1-OG1 3.44Å; H2359-T2375 PolarHBondContact ND1-O 2.91Å; H2359-T2375 VanDerWaalsContact ND1-O 3.13Å; H2359-T2375 PolarHBondContact ND1-OG1 2.92Å; H2359-T2375 VanDerWaalsContact ND1-OG1 3.08Å; L2373-T2375 VanDerWaalsContact C-N 3.32Å; L2373-T2375 VanDerWaalsContact CB-O 3.25Å; L2373-T2375 WeakPolarHBondContact CB-O 3.34Å; L2373-T2375 PolarHBondContact O-N 2.88Å |
| 2376 | P | 97.6 | Very high | 96.4 | Very high | 74.8 Ų | 74.8 | 55.6 Ų | 55.6 | 49% | 0.486 | 30% | 0.303 | S | S | . | . | trans | -70.3 | 152.8 | 177.8 | 29.8 | -34.7 | 0 | 0 | 0 | 111.9 | G2324 T2325 N2326 H2359 | G2324-P2376 WeakPolarHBondContact O-CB 3.32Å; T2325-P2376 CarbonylContact O-C 3.5Å; T2325-P2376 VanDerWaalsContact O-CA 3.3Å; T2325-P2376 WeakPolarHBondContact O-CA 3.24Å; N2326-P2376 HydrophobicContact CB-CB 4.44Å; H2359-P2376 PolarHBondContact CE1-O 2.98Å | ||
| 2377 | L | 97.3 | Very high | 96.4 | Very high | 3.8 Ų | 3.8 | 55 Ų | 55 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | trans | -61.6 | 137.8 | 175.3 | -68.9 | 179.9 | 0 | 0 | 0 | 111.7 | A2321 G2324 T2325 L2328 I2344 E2357 L2373 K2381 | A2321-L2377 HydrophobicContact CB-CD1 3.52Å; A2321-L2377 VanDerWaalsContact CB-CD1 3.49Å; G2324-L2377 PolarHBondContact N-O 2.93Å; T2325-L2377 HydrophobicContact CG2-CD1 3.78Å; T2325-L2377 HydrophobicContact CG2-CG 4.29Å; T2325-L2377 PolarHBondContact O-N 2.78Å; L2328-L2377 HydrophobicContact CD2-CD1 3.71Å; L2328-L2377 HydrophobicContact CD2-CD2 4.28Å; L2328-L2377 HydrophobicContact CD2-CG 4.3Å; I2344-L2377 HydrophobicContact CD1-CD2 3.59Å; I2344-L2377 VanDerWaalsContact CD1-CD2 3.4Å; E2357-L2377 HydrophobicContact CG-CD2 4.34Å; E2357-L2377 WeakPolarHBondContact OE1-CB 3.49Å; E2357-L2377 WeakPolarHBondContact OE1-CD2 3.46Å; L2373-L2377 HydrophobicContact CD1-CD2 3.88Å; L2373-L2377 HydrophobicContact CD1-CG 4.15Å; L2377-K2381 HydrophobicContact CD1-CG 3.85Å; L2377-K2381 HydrophobicContact CD2-CG 4.34Å | ||
| 2378 | A | 96.8 | Very high | 96.3 | Very high | 62.6 Ų | 62.6 | 52.1 Ų | 52.1 | 52% | 0.517 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -86.2 | -31.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E2357 | E2357-A2378 PolarHBondContact OE1-N 3.07Å; E2357-A2378 WeakPolarHBondContact OE2-CA 3.47Å; E2357-A2378 WeakPolarHBondContact OE2-CB 3.28Å; E2357-A2378 PolarHBondContact OE2-N 3.23Å |
| 2379 | Y | 95.7 | Very high | 95.9 | Very high | 92.2 Ų | 92.2 | 53.7 Ų | 53.7 | 36% | 0.362 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -120.9 | 158.2 | -175.6 | -54.8 | -78.4 | 0 | 0 | 0 | 112.4 | E2355 E2357 | E2355-Y2379 HydrophobicContact CB-CD1 4.14Å; E2355-Y2379 HydrophobicContact CB-CD2 3.86Å; E2355-Y2379 HydrophobicContact CB-CE1 4.48Å; E2355-Y2379 HydrophobicContact CB-CE2 4.3Å; E2355-Y2379 HydrophobicContact CB-CG 3.78Å; E2355-Y2379 HydrophobicContact CG-CD1 3.71Å; E2355-Y2379 HydrophobicContact CG-CD2 4.22Å; E2355-Y2379 HydrophobicContact CG-CE1 3.87Å; E2355-Y2379 HydrophobicContact CG-CE2 4.37Å; E2355-Y2379 HydrophobicContact CG-CG 3.89Å; E2357-Y2379 VanDerWaalsContact CD-CD2 3.48Å; E2357-Y2379 HydrophobicContact CG-CD2 3.91Å; E2357-Y2379 HydrophobicContact CG-CE2 4.39Å; E2357-Y2379 WeakPolarHBondContact OE1-CB 3.35Å; E2357-Y2379 WeakPolarHBondContact OE1-CD2 3.32Å; E2357-Y2379 PolarHBondContact OE1-N 3.18Å; E2357-Y2379 PolarHBondContact OE2-N 2.87Å |
| 2380 | K | 95.4 | Very high | 95.5 | Very high | 67.4 Ų | 67.4 | 52.2 Ų | 52.2 | 29% | 0.293 | 29% | 0.286 | S | S | . | . | trans | -73.9 | 134.2 | 177.9 | -175.7 | 171.9 | -178.9 | 140.5 | 0 | 110 | T2320 E2322 P2323 T2347 L2382 | T2320-K2380 VanDerWaalsContact CG2-CE 3.49Å; T2320-K2380 HydrophobicContact CG2-CG 4.29Å; E2322-K2380 VanDerWaalsContact CD-NZ 3.3Å; E2322-K2380 VanDerWaalsContact OE1-CE 3.23Å; E2322-K2380 WeakPolarHBondContact OE1-CE 3.31Å; E2322-K2380 IonicContact OE1-NZ 3.11Å; E2322-K2380 PolarHBondContact OE1-NZ 2.95Å; E2322-K2380 WeakPolarHBondContact OE2-CD 3.34Å; E2322-K2380 WeakPolarHBondContact OE2-CE 3.35Å; E2322-K2380 IonicContact OE2-NZ 3.36Å; E2322-K2380 PolarHBondContact OE2-NZ 2.89Å; E2322-K2380 VanDerWaalsContact OE2-NZ 3.1Å; P2323-K2380 HydrophobicContact CG-CB 4.07Å; T2347-K2380 PolarHBondContact OG1-O 2.98Å; K2380-L2382 HydrophobicContact CD-CD2 4.26Å; K2380-L2382 HydrophobicContact CG-CD2 4.42Å | ||
| 2381 | K | 96.2 | Very high | 95.2 | Very high | 0.4 Ų | 0.4 | 53 Ų | 53 | 0% | 0.002 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -119.3 | 107 | 178.9 | -50.8 | -62.7 | -173.6 | 166.2 | 0 | 109.4 | L2317 T2320 A2321 I2344 T2345 E2355 E2357 L2377 A2398 | L2317-K2381 HydrophobicContact CD1-CB 3.53Å; L2317-K2381 VanDerWaalsContact CD1-CB 3.48Å; T2320-K2381 CarbonylContact C-O 3.54Å; T2320-K2381 WeakPolarHBondContact CA-O 3.33Å; T2320-K2381 WeakPolarHBondContact CG2-O 3.33Å; A2321-K2381 HydrophobicContact CB-CB 4.24Å; A2321-K2381 PolarHBondContact N-O 3.17Å; A2321-K2381 PolarHBondContact O-N 2.86Å; I2344-K2381 HydrophobicContact CG2-CB 4.38Å; I2344-K2381 HydrophobicContact CG2-CD 3.77Å; I2344-K2381 HydrophobicContact CG2-CG 3.83Å; I2344-K2381 PolarHBondContact O-NZ 2.98Å; I2344-K2381 VanDerWaalsContact O-NZ 3.13Å; T2345-K2381 WeakPolarHBondContact O-CD 3.35Å; T2345-K2381 PolarHBondContact O-NZ 3.18Å; E2355-K2381 PolarHBondContact O-NZ 3.17Å; E2357-K2381 WeakPolarHBondContact OE1-CE 3.25Å; E2357-K2381 IonicContact OE1-NZ 3.16Å; E2357-K2381 PolarHBondContact OE1-NZ 3.13Å; L2377-K2381 HydrophobicContact CD1-CG 3.85Å; L2377-K2381 HydrophobicContact CD2-CG 4.34Å; K2381-A2398 HydrophobicContact CB-CB 3.9Å |
| 2382 | L | 96 | Very high | 95 | Very high | 20.2 Ų | 20.2 | 55.5 Ų | 55.5 | 11% | 0.106 | 32% | 0.316 | C | S | . | . | trans | -69.9 | 147.5 | -174.4 | -65.4 | 176.3 | 0 | 0 | 0 | 112.2 | T2320 T2347 K2380 V2384 F2396 V2397 A2398 L2728 | T2320-L2382 HydrophobicContact CG2-CD2 4.12Å; T2347-L2382 HydrophobicContact CG2-CB 4.07Å; T2347-L2382 WeakPolarHBondContact OG1-CG 3.21Å; T2347-L2382 PolarHBondContact OG1-N 2.89Å; T2347-L2382 VanDerWaalsContact OG1-N 3.09Å; K2380-L2382 HydrophobicContact CD-CD2 4.26Å; K2380-L2382 HydrophobicContact CG-CD2 4.42Å; L2382-V2384 HydrophobicContact CB-CG2 4.37Å; L2382-V2384 HydrophobicContact CD2-CG2 4.38Å; L2382-F2396 WeakPolarHBondContact CB-O 3.39Å; L2382-V2397 CarbonylContact O-C 3.47Å; L2382-V2397 VanDerWaalsContact O-CA 3.29Å; L2382-V2397 WeakPolarHBondContact O-CA 3.35Å; L2382-A2398 PolarHBondContact O-N 3.13Å; L2382-L2728 HydrophobicContact CD1-CD2 3.96Å | ||
| 2383 | S | 96.2 | Very high | 94.8 | Very high | 23.8 Ų | 23.8 | 59.8 Ų | 59.8 | 17% | 0.166 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 92.1 | 157.3 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | L2317 A2318 E2319 T2320 | L2317-S2383 WeakPolarHBondContact O-CB 3.4Å; L2317-S2383 PolarHBondContact O-OG 2.96Å; A2318-S2383 PolarHBondContact O-OG 3.01Å; E2319-S2383 VanDerWaalsContact C-CB 3.41Å; T2320-S2383 PolarHBondContact OG1-N 3.16Å; T2320-S2383 PolarHBondContact OG1-O 3.07Å |
| 2384 | V | 95.2 | Very high | 94.5 | Very high | 29.2 Ų | 29.2 | 60 Ų | 60 | 18% | 0.177 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 116.3 | -175.2 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | L2382 F2396 D2727 L2728 | L2382-V2384 HydrophobicContact CB-CG2 4.37Å; L2382-V2384 HydrophobicContact CD2-CG2 4.38Å; V2384-F2396 HydrophobicContact CB-CB 4.41Å; V2384-F2396 HydrophobicContact CG1-CD2 4.48Å; V2384-F2396 PolarHBondContact N-O 3.11Å; V2384-F2396 CarbonylContact O-C 3.41Å; V2384-F2396 WeakPolarHBondContact O-CA 3.17Å; V2384-F2396 WeakPolarHBondContact O-CB 3.31Å; V2384-F2396 PolarHBondContact O-N 3.11Å; V2384-D2727 HydrophobicContact CG1-CB 3.83Å; V2384-L2728 HydrophobicContact CB-CD2 3.94Å; V2384-L2728 HydrophobicContact CG1-CD2 4.08Å; V2384-L2728 HydrophobicContact CG2-CD2 4.16Å |
| 2385 | K | 93.7 | Very high | 94.3 | Very high | 135.6 Ų | 135.6 | 58.4 Ų | 58.4 | 59% | 0.59 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 117.6 | 171 | -136.7 | 176.6 | -177.6 | 174.2 | 0 | 109.8 | E2331 I2393 G2394 N2395 | E2331-K2385 WeakPolarHBondContact OE1-CE 3.46Å; E2331-K2385 IonicContact OE1-NZ 3.17Å; E2331-K2385 PolarHBondContact OE1-NZ 3.25Å; E2331-K2385 VanDerWaalsContact OE1-NZ 3.12Å; K2385-I2393 HydrophobicContact CB-CG2 4.16Å; K2385-I2393 HydrophobicContact CG-CG2 4.11Å; K2385-G2394 CarbonylContact C-O 3.43Å; K2385-G2394 WeakPolarHBondContact CA-O 3.26Å; K2385-N2395 VanDerWaalsContact CE-OD1 3.27Å; K2385-N2395 WeakPolarHBondContact CE-OD1 3.35Å; K2385-N2395 VanDerWaalsContact CG-OD1 3.28Å; K2385-N2395 WeakPolarHBondContact CG-OD1 3.38Å |
| 2386 | K | 93.6 | Very high | 94.2 | Very high | 66.2 Ų | 66.2 | 56 Ų | 56 | 29% | 0.288 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.4 | 178.1 | -169 | 66.4 | 165.1 | -152.6 | 0 | 110.5 | Y2388 I2393 G2394 F2396 E2725 D2727 | K2386-Y2388 HydrophobicContact CB-CE2 4.29Å; K2386-Y2388 HydrophobicContact CG-CD1 4.42Å; K2386-Y2388 HydrophobicContact CG-CD2 4.5Å; K2386-Y2388 HydrophobicContact CG-CE1 4.06Å; K2386-Y2388 HydrophobicContact CG-CE2 4.11Å; K2386-I2393 CarbonylContact O-C 3.49Å; K2386-I2393 WeakPolarHBondContact O-CA 3.33Å; K2386-G2394 PolarHBondContact N-O 3.05Å; K2386-G2394 PolarHBondContact O-N 3.16Å; K2386-F2396 HydrophobicContact CB-CD2 4.42Å; K2386-F2396 HydrophobicContact CB-CE2 4.01Å; K2386-E2725 VanDerWaalsContact CE-OE1 3.26Å; K2386-E2725 WeakPolarHBondContact CE-OE1 3.23Å; K2386-E2725 WeakPolarHBondContact CE-OE2 3.42Å; K2386-E2725 IonicContact NZ-OE1 3.09Å; K2386-E2725 PolarHBondContact NZ-OE1 2.88Å; K2386-E2725 IonicContact NZ-OE2 3.43Å; K2386-D2727 IonicContact NZ-OD2 3.55Å; K2386-D2727 PolarHBondContact NZ-OD2 2.94Å |
| 2387 | I | 94.5 | Very high | 94.1 | Very high | 117.8 Ų | 117.8 | 52.5 Ų | 52.5 | 60% | 0.604 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 116.6 | 171.5 | -54.3 | 176.7 | 0 | 0 | 0 | 107.6 | I2393 | I2387-I2393 HydrophobicContact CG1-CG1 4.44Å |
| 2388 | Y | 93 | Very high | 94.1 | Very high | 23.4 Ų | 23.4 | 52.3 Ų | 52.3 | 9% | 0.092 | 29% | 0.287 | C | S | . | . | trans | -81.4 | 155.4 | 176.9 | -67.1 | -76.8 | 0 | 0 | 0 | 110.9 | K2386 N2390 G2391 V2392 F2396 L2688 T2720 V2722 E2725 K2756 | K2386-Y2388 HydrophobicContact CB-CE2 4.29Å; K2386-Y2388 HydrophobicContact CG-CD1 4.42Å; K2386-Y2388 HydrophobicContact CG-CD2 4.5Å; K2386-Y2388 HydrophobicContact CG-CE1 4.06Å; K2386-Y2388 HydrophobicContact CG-CE2 4.11Å; Y2388-N2390 VanDerWaalsContact CB-OD1 3.31Å; Y2388-N2390 WeakPolarHBondContact CB-OD1 3.37Å; Y2388-N2390 PolarHBondContact O-N 2.99Å; Y2388-G2391 PolarHBondContact O-N 2.85Å; Y2388-V2392 WeakPolarHBondContact CB-O 3.4Å; Y2388-V2392 HydrophobicContact CD2-CB 4.45Å; Y2388-V2392 HydrophobicContact CD2-CG1 4.42Å; Y2388-V2392 WeakPolarHBondContact CD2-O 3.33Å; Y2388-V2392 PolarHBondContact N-O 3.04Å; Y2388-F2396 HydrophobicContact CE2-CE2 4.4Å; Y2388-F2396 HydrophobicContact CE2-CZ 4.41Å; Y2388-F2396 WeakPolarHBondContact OH-CE2 3.42Å; Y2388-F2396 WeakPolarHBondContact OH-CZ 3.07Å; Y2388-L2688 HydrophobicContact CD2-CD1 4.14Å; Y2388-L2688 HydrophobicContact CE2-CD1 3.69Å; Y2388-L2688 HydrophobicContact CE2-CD2 4.28Å; Y2388-T2720 HydrophobicContact CD1-CG2 4.24Å; Y2388-T2720 HydrophobicContact CD2-CG2 4.44Å; Y2388-T2720 HydrophobicContact CG-CG2 4.21Å; Y2388-V2722 HydrophobicContact CD1-CG2 4.39Å; Y2388-V2722 HydrophobicContact CE1-CG2 3.63Å; Y2388-E2725 WeakPolarHBondContact CE1-OE2 3.29Å; Y2388-E2725 PolarHBondContact OH-OE2 2.81Å; Y2388-K2756 HydrophobicContact CD1-CD 4.29Å; Y2388-K2756 HydrophobicContact CE1-CD 4.21Å | ||
| 2389 | P | 88.2 | Confident | 94.2 | Very high | 107.2 Ų | 107.2 | 49.6 Ų | 49.6 | 70% | 0.696 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -23.3 | -175.6 | -27.9 | 36.6 | 0 | 0 | 0 | 115.3 | G2391 E2792 | P2389-G2391 VanDerWaalsContact C-N 3.28Å; P2389-G2391 PolarHBondContact O-N 3.29Å; P2389-E2792 WeakPolarHBondContact CG-OE2 3.35Å |
| 2390 | N | 89 | Confident | 94.3 | Very high | 78.2 Ų | 78.2 | 45.2 Ų | 45.2 | 42% | 0.418 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 4.2 | 175.4 | 65 | -9.6 | 0 | 0 | 0 | 113.9 | Y2388 V2392 T2720 V2754 | Y2388-N2390 VanDerWaalsContact CB-OD1 3.31Å; Y2388-N2390 WeakPolarHBondContact CB-OD1 3.37Å; Y2388-N2390 PolarHBondContact O-N 2.99Å; N2390-V2392 VanDerWaalsContact C-N 3.34Å; N2390-V2392 WeakPolarHBondContact ND2-CG2 3.3Å; N2390-V2392 WeakPolarHBondContact OD1-CB 3.39Å; N2390-V2392 WeakPolarHBondContact OD1-CG2 3.35Å; N2390-V2392 PolarHBondContact OD1-N 2.91Å; N2390-V2392 VanDerWaalsContact OD1-N 3.16Å; N2390-T2720 PolarHBondContact ND2-OG1 2.95Å; N2390-V2754 HydrophobicContact CB-CG2 4.37Å; N2390-V2754 WeakPolarHBondContact ND2-CG2 3.27Å |
| 2391 | G | 91.5 | Very high | 94.5 | Very high | 50.4 Ų | 50.4 | 42 Ų | 42 | 52% | 0.52 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 85.5 | -2.9 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y2388 P2389 I2393 | Y2388-G2391 PolarHBondContact O-N 2.85Å; P2389-G2391 VanDerWaalsContact C-N 3.28Å; P2389-G2391 PolarHBondContact O-N 3.29Å; G2391-I2393 PolarHBondContact O-N 2.9Å |
| 2392 | V | 93.2 | Very high | 94.6 | Very high | 52.6 Ų | 52.6 | 41.9 Ų | 41.9 | 32% | 0.319 | 23% | 0.233 | S | C | . | . | trans | -67.1 | 132.9 | 173.9 | 176.1 | 0 | 0 | 0 | 0 | 109.2 | Y2388 N2390 L2688 | Y2388-V2392 WeakPolarHBondContact CB-O 3.4Å; Y2388-V2392 HydrophobicContact CD2-CB 4.45Å; Y2388-V2392 HydrophobicContact CD2-CG1 4.42Å; Y2388-V2392 WeakPolarHBondContact CD2-O 3.33Å; Y2388-V2392 PolarHBondContact N-O 3.04Å; N2390-V2392 VanDerWaalsContact C-N 3.34Å; N2390-V2392 WeakPolarHBondContact ND2-CG2 3.3Å; N2390-V2392 WeakPolarHBondContact OD1-CB 3.39Å; N2390-V2392 WeakPolarHBondContact OD1-CG2 3.35Å; N2390-V2392 PolarHBondContact OD1-N 2.91Å; N2390-V2392 VanDerWaalsContact OD1-N 3.16Å; V2392-L2688 HydrophobicContact CG1-CB 4.32Å; V2392-L2688 HydrophobicContact CG1-CD1 4.13Å; V2392-L2688 HydrophobicContact CG1-CD2 4.2Å; V2392-L2688 HydrophobicContact CG1-CG 4.45Å | ||
| 2393 | I | 93.5 | Very high | 94.7 | Very high | 99 Ų | 99 | 41 Ų | 41 | 51% | 0.508 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 115.2 | -179.7 | -55.2 | 176 | 0 | 0 | 0 | 108.3 | K2385 K2386 I2387 G2391 | K2385-I2393 HydrophobicContact CB-CG2 4.16Å; K2385-I2393 HydrophobicContact CG-CG2 4.11Å; K2386-I2393 CarbonylContact O-C 3.49Å; K2386-I2393 WeakPolarHBondContact O-CA 3.33Å; I2387-I2393 HydrophobicContact CG1-CG1 4.44Å; G2391-I2393 PolarHBondContact O-N 2.9Å |
| 2394 | G | 92.7 | Very high | 94.8 | Very high | 2.6 Ų | 2.6 | 40.7 Ų | 40.7 | 3% | 0.027 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 121.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | K2385 K2386 | K2385-G2394 CarbonylContact C-O 3.43Å; K2385-G2394 WeakPolarHBondContact CA-O 3.26Å; K2386-G2394 PolarHBondContact N-O 3.05Å; K2386-G2394 PolarHBondContact O-N 3.16Å |
| 2395 | N | 93.1 | Very high | 94.9 | Very high | 47 Ų | 47 | 39.8 Ų | 39.8 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 91.2 | 176.3 | -157.8 | 28.2 | 0 | 0 | 0 | 109.2 | R2316 K2385 V2397 | R2316-N2395 VanDerWaalsContact CD-ND2 3.3Å; R2316-N2395 WeakPolarHBondContact CD-ND2 3.41Å; R2316-N2395 PolarHBondContact NH1-ND2 3.22Å; R2316-N2395 VanDerWaalsContact NH1-ND2 3.18Å; K2385-N2395 VanDerWaalsContact CE-OD1 3.27Å; K2385-N2395 WeakPolarHBondContact CE-OD1 3.35Å; K2385-N2395 VanDerWaalsContact CG-OD1 3.28Å; K2385-N2395 WeakPolarHBondContact CG-OD1 3.38Å; N2395-V2397 PolarHBondContact O-N 3.11Å; N2395-V2397 WeakPolarHBondContact OD1-CG2 3.36Å |
| 2396 | F | 95.6 | Very high | 95.1 | Very high | 20.8 Ų | 20.8 | 33.7 Ų | 33.7 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 79.8 | -177.8 | -50.4 | -71.1 | 0 | 0 | 0 | 108.9 | L2382 V2384 K2386 Y2388 W2668 L2688 V2690 L2728 | L2382-F2396 WeakPolarHBondContact CB-O 3.39Å; V2384-F2396 HydrophobicContact CB-CB 4.41Å; V2384-F2396 HydrophobicContact CG1-CD2 4.48Å; V2384-F2396 PolarHBondContact N-O 3.11Å; V2384-F2396 CarbonylContact O-C 3.41Å; V2384-F2396 WeakPolarHBondContact O-CA 3.17Å; V2384-F2396 WeakPolarHBondContact O-CB 3.31Å; V2384-F2396 PolarHBondContact O-N 3.11Å; K2386-F2396 HydrophobicContact CB-CD2 4.42Å; K2386-F2396 HydrophobicContact CB-CE2 4.01Å; Y2388-F2396 HydrophobicContact CE2-CE2 4.4Å; Y2388-F2396 HydrophobicContact CE2-CZ 4.41Å; Y2388-F2396 WeakPolarHBondContact OH-CE2 3.42Å; Y2388-F2396 WeakPolarHBondContact OH-CZ 3.07Å; F2396-W2668 HydrophobicContact CB-CD2 4.42Å; F2396-W2668 HydrophobicContact CB-CE3 4.4Å; F2396-W2668 HydrophobicContact CB-CH2 4.34Å; F2396-W2668 HydrophobicContact CB-CZ2 4.36Å; F2396-W2668 HydrophobicContact CB-CZ3 4.35Å; F2396-W2668 HydrophobicContact CD1-CB 4.07Å; F2396-W2668 AromaticContact CD1-CD1 3.86Å; F2396-W2668 AromaticContact CD1-CD2 3.71Å; F2396-W2668 HydrophobicContact CD1-CD2 3.71Å; F2396-W2668 HydrophobicContact CD1-CE3 4.21Å; F2396-W2668 AromaticContact CD1-CG 3.62Å; F2396-W2668 HydrophobicContact CD1-CG 3.62Å; F2396-W2668 HydrophobicContact CE1-CB 4.03Å; F2396-W2668 HydrophobicContact CE1-CG 4.03Å; F2396-W2668 HydrophobicContact CG-CD2 4.48Å; F2396-L2688 HydrophobicContact CE1-CD2 4.39Å; F2396-L2688 HydrophobicContact CZ-CD2 4.1Å; F2396-V2690 HydrophobicContact CE1-CB 3.96Å; F2396-V2690 HydrophobicContact CE1-CG1 4.21Å; F2396-V2690 HydrophobicContact CE1-CG2 4.02Å; F2396-V2690 HydrophobicContact CZ-CB 3.98Å; F2396-V2690 HydrophobicContact CZ-CG1 3.98Å; F2396-V2690 HydrophobicContact CZ-CG2 3.69Å; F2396-L2728 HydrophobicContact CB-CD1 4.07Å; F2396-L2728 HydrophobicContact CB-CD2 3.53Å; F2396-L2728 HydrophobicContact CB-CG 4.44Å; F2396-L2728 HydrophobicContact CD1-CD1 3.93Å; F2396-L2728 HydrophobicContact CD2-CD1 3.79Å; F2396-L2728 HydrophobicContact CD2-CD2 3.96Å; F2396-L2728 HydrophobicContact CD2-CG 4.27Å; F2396-L2728 HydrophobicContact CE1-CD1 4.33Å; F2396-L2728 HydrophobicContact CE2-CD1 4.19Å; F2396-L2728 HydrophobicContact CG-CD1 3.65Å; F2396-L2728 HydrophobicContact CG-CD2 3.91Å; F2396-L2728 HydrophobicContact CG-CG 4.35Å; F2396-L2728 HydrophobicContact CZ-CD1 4.46Å |
| 2397 | V | 96.5 | Very high | 95.3 | Very high | 1.2 Ų | 1.2 | 30.6 Ų | 30.6 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 138.5 | -168.8 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | R2316 L2317 L2382 N2395 E2399 | R2316-V2397 HydrophobicContact CB-CB 4.35Å; R2316-V2397 HydrophobicContact CB-CG1 3.67Å; R2316-V2397 HydrophobicContact CG-CB 4.38Å; R2316-V2397 HydrophobicContact CG-CG1 4.22Å; L2317-V2397 HydrophobicContact CB-CG1 4.03Å; L2317-V2397 WeakPolarHBondContact O-CG1 3.31Å; L2382-V2397 CarbonylContact O-C 3.47Å; L2382-V2397 VanDerWaalsContact O-CA 3.29Å; L2382-V2397 WeakPolarHBondContact O-CA 3.35Å; N2395-V2397 PolarHBondContact O-N 3.11Å; N2395-V2397 WeakPolarHBondContact OD1-CG2 3.36Å; V2397-E2399 PolarHBondContact O-N 3.07Å |
| 2398 | A | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -65.1 | 128.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | R2316 L2317 I2344 T2345 T2347 K2381 L2382 | R2316-A2398 WeakPolarHBondContact CA-O 3.28Å; L2317-A2398 HydrophobicContact CD1-CB 3.86Å; L2317-A2398 HydrophobicContact CG-CB 4.21Å; L2317-A2398 PolarHBondContact N-O 3.1Å; L2317-A2398 VanDerWaalsContact N-O 3.12Å; I2344-A2398 HydrophobicContact CG2-CB 4.19Å; T2345-A2398 WeakPolarHBondContact OG1-CA 3.18Å; T2347-A2398 HydrophobicContact CG2-CB 3.6Å; K2381-A2398 HydrophobicContact CB-CB 3.9Å; L2382-A2398 PolarHBondContact O-N 3.13Å | ||
| 2399 | E | 98.1 | Very high | 95.8 | Very high | 5.6 Ų | 5.6 | 25.3 Ų | 25.3 | 3% | 0.026 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 142.4 | 168.2 | -61.6 | 76.2 | -168.3 | 0 | 0 | 110.5 | W2314 T2315 R2316 I2344 T2345 V2397 L2556 V2589 H2631 | W2314-E2399 HydrophobicContact CE3-CB 4.19Å; W2314-E2399 HydrophobicContact CE3-CG 3.99Å; W2314-E2399 HydrophobicContact CZ3-CB 4.44Å; W2314-E2399 HydrophobicContact CZ3-CG 3.74Å; T2315-E2399 CarbonylContact O-C 3.48Å; T2315-E2399 VanDerWaalsContact O-CA 3.28Å; T2315-E2399 WeakPolarHBondContact O-CA 3.33Å; R2316-E2399 HydrophobicContact CG-CG 4.21Å; R2316-E2399 IonicContact CZ-OE1 3.81Å; R2316-E2399 IonicContact NE-OE1 3.71Å; R2316-E2399 PolarHBondContact NE-OE1 3.37Å; R2316-E2399 IonicContact NH1-OE1 2.62Å; R2316-E2399 IonicContact NH2-OE1 3.57Å; R2316-E2399 PolarHBondContact NH2-OE1 3.08Å; I2344-E2399 WeakPolarHBondContact CA-O 3.3Å; T2345-E2399 HydrophobicContact CG2-CB 3.88Å; T2345-E2399 PolarHBondContact N-O 3.1Å; T2345-E2399 PolarHBondContact OG1-N 3.13Å; T2345-E2399 PolarHBondContact OG1-O 3.08Å; T2345-E2399 PolarHBondContact OG1-OE2 2.92Å; V2397-E2399 PolarHBondContact O-N 3.07Å; E2399-L2556 HydrophobicContact CB-CD1 3.85Å; E2399-L2556 HydrophobicContact CB-CD2 3.9Å; E2399-L2556 HydrophobicContact CG-CD1 4.08Å; E2399-V2589 HydrophobicContact CG-CG1 4.21Å; E2399-V2589 HydrophobicContact CG-CG2 4.44Å; E2399-H2631 IonicContact OE1-NE2 3.14Å; E2399-H2631 IonicContact OE2-CE1 3.3Å; E2399-H2631 IonicContact OE2-NE2 2.95Å; E2399-H2631 PolarHBondContact OE2-NE2 2.99Å |
| 2400 | V | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 119.1 | 175 | -171.6 | 0 | 0 | 0 | 0 | 107.8 | W2314 T2315 L2317 L2330 W2336 I2342 I2343 I2344 | W2314-V2400 CarbonylContact C-O 3.56Å; W2314-V2400 WeakPolarHBondContact CA-O 3.35Å; W2314-V2400 WeakPolarHBondContact CB-O 3.35Å; T2315-V2400 PolarHBondContact N-O 2.98Å; T2315-V2400 PolarHBondContact O-N 2.9Å; L2317-V2400 HydrophobicContact CD2-CG2 3.69Å; L2317-V2400 HydrophobicContact CG-CG2 4.09Å; L2330-V2400 HydrophobicContact CD2-CB 4.18Å; L2330-V2400 HydrophobicContact CD2-CG1 4.44Å; L2330-V2400 HydrophobicContact CD2-CG2 3.9Å; W2336-V2400 HydrophobicContact CH2-CB 4.25Å; W2336-V2400 HydrophobicContact CH2-CG1 3.79Å; W2336-V2400 HydrophobicContact CZ3-CB 4.47Å; W2336-V2400 HydrophobicContact CZ3-CG1 3.7Å; I2342-V2400 HydrophobicContact CB-CG1 4.35Å; I2342-V2400 HydrophobicContact CD1-CG1 3.9Å; I2343-V2400 CarbonylContact O-C 3.52Å; I2343-V2400 VanDerWaalsContact O-CA 3.32Å; I2343-V2400 WeakPolarHBondContact O-CA 3.29Å; I2344-V2400 HydrophobicContact CG1-CG1 4.24Å; I2344-V2400 HydrophobicContact CG1-CG2 4.42Å; I2344-V2400 HydrophobicContact CG2-CG2 4.35Å |
| 2401 | G | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 137.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I2342 I2343 | I2342-G2401 CarbonylContact C-O 3.5Å; I2342-G2401 VanDerWaalsContact CA-O 3.24Å; I2342-G2401 WeakPolarHBondContact CA-O 3.28Å; I2343-G2401 PolarHBondContact N-O 3.28Å; I2343-G2401 PolarHBondContact O-N 3.06Å |
| 2402 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 122.4 | 174.3 | -175.9 | 71.2 | 0 | 0 | 0 | 110.6 | R2310 I2313 W2336 E2340 I2342 S2404 R2405 | R2310-L2402 HydrophobicContact CG-CD2 4.12Å; R2310-L2402 VanDerWaalsContact NE-CD2 3.27Å; I2313-L2402 WeakPolarHBondContact O-CB 3.23Å; I2313-L2402 PolarHBondContact O-N 3.04Å; W2336-L2402 HydrophobicContact CB-CD1 4.31Å; W2336-L2402 HydrophobicContact CD2-CB 4.24Å; W2336-L2402 HydrophobicContact CD2-CD1 4.07Å; W2336-L2402 HydrophobicContact CE3-CD1 4.38Å; W2336-L2402 HydrophobicContact CG-CB 4.5Å; W2336-L2402 HydrophobicContact CG-CD1 3.94Å; W2336-L2402 HydrophobicContact CG-CD2 4.22Å; W2336-L2402 HydrophobicContact CG-CG 4.44Å; W2336-L2402 HydrophobicContact CZ2-CB 4.07Å; E2340-L2402 HydrophobicContact CB-CD1 3.93Å; I2342-L2402 HydrophobicContact CG2-CD1 4.04Å; L2402-S2404 WeakPolarHBondContact CD2-O 3.33Å; L2402-R2405 VanDerWaalsContact C-NH1 3.28Å; L2402-R2405 VanDerWaalsContact CD2-NH1 3.31Å; L2402-R2405 VanDerWaalsContact CG-NH1 3.28Å; L2402-R2405 VanDerWaalsContact O-CZ 3.3Å; L2402-R2405 PolarHBondContact O-NH1 3.2Å; L2402-R2405 PolarHBondContact O-NH2 2.91Å |
| 2403 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -87.2 | -44.7 | 174.6 | -60.8 | 178.3 | 0 | 0 | 0 | 111.6 | H2341 I2343 E2358 R2405 S2508 H2510 V2531 Y2533 | H2341-L2403 HydrophobicContact CB-CB 4.16Å; H2341-L2403 HydrophobicContact CB-CD1 4.44Å; H2341-L2403 WeakPolarHBondContact O-CB 3.42Å; H2341-L2403 PolarHBondContact O-N 3.03Å; I2343-L2403 HydrophobicContact CB-CD1 4.23Å; I2343-L2403 HydrophobicContact CB-CD2 4.3Å; I2343-L2403 HydrophobicContact CB-CG 4.3Å; I2343-L2403 HydrophobicContact CG2-CD2 3.86Å; I2343-L2403 HydrophobicContact CG2-CG 4.22Å; E2358-L2403 HydrophobicContact CG-CD1 3.96Å; L2403-R2405 PolarHBondContact O-N 2.97Å; L2403-R2405 PolarHBondContact O-NH1 2.85Å; L2403-S2508 WeakPolarHBondContact CA-OG 3.45Å; L2403-S2508 WeakPolarHBondContact CD2-OG 3.23Å; L2403-S2508 WeakPolarHBondContact O-CB 3.35Å; L2403-S2508 PolarHBondContact O-OG 3.26Å; L2403-H2510 HydrophobicContact CD2-CB 4.25Å; L2403-V2531 HydrophobicContact CD2-CG1 3.86Å; L2403-Y2533 HydrophobicContact CD1-CD1 4.01Å; L2403-Y2533 HydrophobicContact CD1-CE1 4.5Å; L2403-Y2533 HydrophobicContact CD2-CD1 4.46Å | ||
| 2404 | S | 98.2 | Very high | 95.7 | Very high | 17 Ų | 17 | 21.5 Ų | 21.5 | 12% | 0.119 | 10% | 0.103 | C | C | . | . | trans | -65.7 | 136.3 | -173.6 | -62.4 | 0 | 0 | 0 | 0 | 114 | H2341 L2402 E2476 | H2341-S2404 PolarHBondContact N-OG 3.17Å; H2341-S2404 PolarHBondContact O-N 3.3Å; L2402-S2404 WeakPolarHBondContact CD2-O 3.33Å; S2404-E2476 VanDerWaalsContact CA-OE2 3.25Å; S2404-E2476 WeakPolarHBondContact CA-OE2 3.3Å | ||
| 2405 | R | 97.9 | Very high | 94.5 | Very high | 10.8 Ų | 10.8 | 25.3 Ų | 25.3 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | trans | -131.8 | 160.7 | 166.6 | -59.2 | -67.7 | -179.6 | -81.2 | -6.7 | 110.6 | I2313 L2402 L2403 I2407 H2474 E2476 G2506 | I2313-R2405 VanDerWaalsContact CG2-NH2 3.28Å; L2402-R2405 VanDerWaalsContact C-NH1 3.28Å; L2402-R2405 VanDerWaalsContact CD2-NH1 3.31Å; L2402-R2405 VanDerWaalsContact CG-NH1 3.28Å; L2402-R2405 VanDerWaalsContact O-CZ 3.3Å; L2402-R2405 PolarHBondContact O-NH1 3.2Å; L2402-R2405 PolarHBondContact O-NH2 2.91Å; L2403-R2405 PolarHBondContact O-N 2.97Å; L2403-R2405 PolarHBondContact O-NH1 2.85Å; R2405-I2407 VanDerWaalsContact C-N 3.29Å; R2405-H2474 WeakPolarHBondContact CB-O 3.29Å; R2405-H2474 WeakPolarHBondContact CG-O 3.43Å; R2405-E2476 HydrophobicContact CB-CB 3.76Å; R2405-E2476 HydrophobicContact CG-CB 3.98Å; R2405-E2476 PolarHBondContact N-OE2 2.93Å; R2405-G2506 PolarHBondContact NE-O 3.18Å; R2405-G2506 PolarHBondContact NH2-O 3.2Å; R2405-G2506 VanDerWaalsContact NH2-O 3.12Å | ||
| 2406 | N | 97.4 | Very high | 93.2 | Very high | 8.4 Ų | 8.4 | 24.8 Ų | 24.8 | 5% | 0.045 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -76.7 | -19.3 | 176.8 | 69.6 | -58.4 | 0 | 0 | 0 | 113 | Y2271 K2273 Q2274 A2275 G2307 K2308 | Y2271-N2406 PolarHBondContact O-ND2 3.16Å; K2273-N2406 PolarHBondContact O-ND2 3.12Å; Q2274-N2406 CarbonylContact C-O 3.53Å; Q2274-N2406 VanDerWaalsContact CA-O 3.31Å; Q2274-N2406 WeakPolarHBondContact CA-O 3.33Å; Q2274-N2406 VanDerWaalsContact OE1-CA 3.26Å; A2275-N2406 PolarHBondContact N-O 3.04Å; G2307-N2406 WeakPolarHBondContact CA-OD1 3.31Å; K2308-N2406 WeakPolarHBondContact CB-OD1 3.32Å; K2308-N2406 PolarHBondContact N-OD1 3.07Å |
| 2407 | I | 98.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 122.8 | 168.9 | -52 | -176.3 | 0 | 0 | 0 | 108.8 | I2264 A2275 I2305 G2307 R2405 T2475 E2476 | I2264-I2407 HydrophobicContact CB-CD1 4.17Å; I2264-I2407 HydrophobicContact CD1-CG2 4.42Å; I2264-I2407 HydrophobicContact CG2-CD1 3.54Å; I2264-I2407 HydrophobicContact CG2-CG1 4.28Å; A2275-I2407 HydrophobicContact CB-CG1 4.24Å; A2275-I2407 HydrophobicContact CB-CG2 4.28Å; A2275-I2407 CarbonylContact O-C 3.39Å; A2275-I2407 VanDerWaalsContact O-CA 3.24Å; A2275-I2407 WeakPolarHBondContact O-CA 3.39Å; I2305-I2407 HydrophobicContact CG2-CB 4.47Å; I2305-I2407 HydrophobicContact CG2-CD1 3.58Å; I2305-I2407 HydrophobicContact CG2-CG2 3.79Å; G2307-I2407 VanDerWaalsContact CA-CD1 3.4Å; G2307-I2407 VanDerWaalsContact N-CD1 3.29Å; R2405-I2407 VanDerWaalsContact C-N 3.29Å; I2407-T2475 HydrophobicContact CB-CG2 4.29Å; I2407-T2475 HydrophobicContact CG2-CG2 3.93Å; I2407-E2476 PolarHBondContact O-N 2.96Å |
| 2408 | L | 98.5 | Very high | 89.4 | Confident | 29.8 Ų | 29.8 | 31.4 Ų | 31.4 | 16% | 0.156 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 126.2 | -179.5 | 177.6 | 60.9 | 0 | 0 | 0 | 110.8 | A2275 T2276 I2277 R2410 E2476 | A2275-L2408 PolarHBondContact O-N 3.11Å; T2276-L2408 CarbonylContact C-O 3.45Å; T2276-L2408 VanDerWaalsContact CA-O 3.26Å; T2276-L2408 WeakPolarHBondContact CA-O 3.12Å; T2276-L2408 HydrophobicContact CG2-CB 4.26Å; T2276-L2408 HydrophobicContact CG2-CD2 4.21Å; T2276-L2408 HydrophobicContact CG2-CG 4.27Å; I2277-L2408 PolarHBondContact N-O 3.12Å; L2408-R2410 HydrophobicContact CD1-CB 4.42Å; L2408-R2410 HydrophobicContact CD2-CG 4.38Å; L2408-R2410 HydrophobicContact CG-CB 4.34Å; L2408-R2410 HydrophobicContact CG-CG 4.33Å; L2408-E2476 CarbonylContact C-O 3.51Å; L2408-E2476 WeakPolarHBondContact CA-O 3.33Å; L2408-E2476 HydrophobicContact CD1-CB 3.98Å; L2408-E2476 HydrophobicContact CD1-CG 3.71Å |
| 2409 | I | 98.6 | Very high | 87.2 | Confident | 0.8 Ų | 0.8 | 34.8 Ų | 34.8 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 120.9 | 168 | -56.8 | -177.1 | 0 | 0 | 0 | 107.5 | I2277 L2279 L2296 I2305 T2475 E2476 F2477 Y2478 M2480 | I2277-I2409 HydrophobicContact CB-CG1 4.27Å; I2277-I2409 HydrophobicContact CB-CG2 4.48Å; I2277-I2409 HydrophobicContact CD1-CD1 4.39Å; I2277-I2409 HydrophobicContact CD1-CG1 4.38Å; I2277-I2409 WeakPolarHBondContact O-CA 3.28Å; L2279-I2409 HydrophobicContact CD1-CG2 4.5Å; L2296-I2409 HydrophobicContact CD2-CD1 4.44Å; I2305-I2409 HydrophobicContact CD1-CD1 3.88Å; I2409-T2475 HydrophobicContact CD1-CG2 3.96Å; I2409-T2475 HydrophobicContact CG1-CG2 3.92Å; I2409-E2476 PolarHBondContact N-O 3.09Å; I2409-F2477 HydrophobicContact CB-CD1 3.96Å; I2409-F2477 HydrophobicContact CB-CE1 3.98Å; I2409-F2477 HydrophobicContact CD1-CE1 3.75Å; I2409-F2477 HydrophobicContact CD1-CZ 3.89Å; I2409-F2477 HydrophobicContact CG1-CE1 4.34Å; I2409-F2477 HydrophobicContact CG2-CD1 4.22Å; I2409-F2477 HydrophobicContact CG2-CE1 4.16Å; I2409-F2477 VanDerWaalsContact O-CA 3.3Å; I2409-F2477 WeakPolarHBondContact O-CA 3.25Å; I2409-Y2478 PolarHBondContact O-N 3.1Å; I2409-Y2478 VanDerWaalsContact O-N 3.08Å; I2409-M2480 HydrophobicContact CG2-CE 3.95Å; I2409-M2480 HydrophobicContact CG2-SD 4.46Å |
| 2410 | R | 97.8 | Very high | 85.3 | Confident | 91.6 Ų | 91.6 | 39.8 Ų | 39.8 | 35% | 0.346 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 153.9 | -174.6 | 64.9 | 176.7 | -150.1 | 178.1 | -0.9 | 114.1 | T2276 I2277 T2278 L2279 L2408 Y2478 | T2276-R2410 HydrophobicContact CG2-CG 4.43Å; I2277-R2410 PolarHBondContact O-N 3.11Å; T2278-R2410 WeakPolarHBondContact CA-O 3.31Å; T2278-R2410 HydrophobicContact CG2-CG 4.34Å; T2278-R2410 PolarHBondContact OG1-NE 2.92Å; T2278-R2410 VanDerWaalsContact OG1-NE 3.16Å; T2278-R2410 PolarHBondContact OG1-NH2 2.91Å; L2279-R2410 PolarHBondContact N-O 3.15Å; L2408-R2410 HydrophobicContact CD1-CB 4.42Å; L2408-R2410 HydrophobicContact CD2-CG 4.38Å; L2408-R2410 HydrophobicContact CG-CB 4.34Å; L2408-R2410 HydrophobicContact CG-CG 4.33Å; R2410-Y2478 WeakPolarHBondContact CA-O 3.31Å; R2410-Y2478 VanDerWaalsContact CB-O 3.31Å; R2410-Y2478 WeakPolarHBondContact CB-O 3.39Å |
| 2411 | G | 96.1 | Very high | 83.4 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 4% | 0.041 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 154.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L2279 Y2478 F2479 | L2279-G2411 WeakPolarHBondContact O-CA 3.42Å; G2411-Y2478 PolarHBondContact N-O 2.85Å; G2411-F2479 WeakPolarHBondContact CA-O 3.42Å; G2411-F2479 PolarHBondContact N-O 3.01Å; G2411-F2479 VanDerWaalsContact N-O 3.14Å; G2411-F2479 WeakPolarHBondContact O-CD1 3.45Å |
| 2412 | T | 94 | Very high | 81.6 | Confident | 18.4 Ų | 18.4 | 47.6 Ų | 47.6 | 11% | 0.113 | 28% | 0.28 | C | S | . | . | trans | -80.3 | 160.2 | 167.4 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | T2278 L2279 H2280 K2294 E2414 F2479 | T2278-T2412 HydrophobicContact CG2-CG2 3.34Å; T2278-T2412 VanDerWaalsContact CG2-CG2 3.47Å; L2279-T2412 PolarHBondContact O-N 3.15Å; L2279-T2412 VanDerWaalsContact O-N 3.09Å; L2279-T2412 PolarHBondContact O-OG1 3.15Å; H2280-T2412 HydrophobicContact CB-CG2 4.41Å; H2280-T2412 VanDerWaalsContact CE1-CG2 3.46Å; H2280-T2412 WeakPolarHBondContact CE1-CG2 3.25Å; H2280-T2412 VanDerWaalsContact ND1-CG2 3.35Å; H2280-T2412 WeakPolarHBondContact ND1-CG2 3.22Å; K2294-T2412 VanDerWaalsContact CE-N 3.32Å; K2294-T2412 WeakPolarHBondContact CE-OG1 3.3Å; K2294-T2412 PolarHBondContact NZ-O 3.15Å; K2294-T2412 PolarHBondContact NZ-OG1 3.38Å; T2412-E2414 WeakPolarHBondContact CB-OE1 3.26Å; T2412-E2414 VanDerWaalsContact OG1-CD 3.26Å; T2412-E2414 WeakPolarHBondContact OG1-CG 3.35Å; T2412-E2414 PolarHBondContact OG1-OE1 3.22Å; T2412-F2479 VanDerWaalsContact O-CE1 3.24Å; T2412-F2479 WeakPolarHBondContact O-CE1 3.24Å | ||
| 2413 | Q | 86.4 | Confident | 79.9 | Confident | 133.8 Ų | 133.8 | 55.1 Ų | 55.1 | 63% | 0.625 | 31% | 0.312 | S | S | * | . | trans | -101.7 | 103.8 | 163 | -173.6 | 175.8 | -4.5 | 0 | 0 | 108.1 | P2415 N2450 F2479 | Q2413-P2415 WeakPolarHBondContact O-CD 3.34Å; Q2413-N2450 PolarHBondContact NE2-OD1 2.86Å; Q2413-F2479 HydrophobicContact CB-CE1 4.26Å; Q2413-F2479 HydrophobicContact CB-CE2 4.26Å; Q2413-F2479 HydrophobicContact CB-CZ 3.88Å; Q2413-F2479 HydrophobicContact CG-CE2 4.31Å; Q2413-F2479 HydrophobicContact CG-CZ 4.09Å | ||
| 2414 | E | 79.2 | Confident | 78.4 | Confident | 59.6 Ų | 59.6 | 56 Ų | 56 | 28% | 0.279 | 32% | 0.319 | S | S | . | . | trans | -118.9 | 115.5 | -178.1 | -75.1 | 170.3 | -143.3 | 0 | 0 | 110.3 | H2280 G2281 H2282 T2412 I2416 | H2280-E2414 WeakPolarHBondContact CA-OE1 3.38Å; H2280-E2414 VanDerWaalsContact CB-OE1 3.26Å; H2280-E2414 WeakPolarHBondContact CB-OE1 3.29Å; H2280-E2414 IonicContact CE1-OE1 3.1Å; H2280-E2414 IonicContact CG-OE1 3.45Å; H2280-E2414 IonicContact ND1-OE1 3.09Å; H2280-E2414 PolarHBondContact ND1-OE1 3.07Å; G2281-E2414 WeakPolarHBondContact CA-OE2 3.32Å; G2281-E2414 PolarHBondContact N-OE1 3.08Å; G2281-E2414 PolarHBondContact N-OE2 2.88Å; G2281-E2414 VanDerWaalsContact N-OE2 3.11Å; H2282-E2414 HydrophobicContact CB-CB 4.49Å; T2412-E2414 WeakPolarHBondContact CB-OE1 3.26Å; T2412-E2414 VanDerWaalsContact OG1-CD 3.26Å; T2412-E2414 WeakPolarHBondContact OG1-CG 3.35Å; T2412-E2414 PolarHBondContact OG1-OE1 3.22Å; E2414-I2416 PolarHBondContact O-N 3.4Å | ||
| 2415 | P | 67.6 | Low | 77 | Confident | 81.6 Ų | 81.6 | 60.1 Ų | 60.1 | 53% | 0.53 | 35% | 0.347 | S | S | . | . | trans | -68 | 136.7 | 177.6 | 28.7 | -33.4 | 0 | 0 | 0 | 110.5 | Q2413 V2417 N2450 | Q2413-P2415 WeakPolarHBondContact O-CD 3.34Å; P2415-V2417 VanDerWaalsContact C-N 3.25Å; P2415-V2417 PolarHBondContact O-N 2.67Å; P2415-N2450 VanDerWaalsContact CB-OD1 3.27Å; P2415-N2450 WeakPolarHBondContact CB-OD1 3.37Å | ||
| 2416 | I | 65.6 | Low | 75.4 | Confident | 36.6 Ų | 36.6 | 64.6 Ų | 64.6 | 19% | 0.188 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -76.8 | -24.6 | 179.5 | -62.3 | 173.3 | 0 | 0 | 0 | 112.1 | H2282 V2283 R2284 E2414 P2443 Q2446 A2449 | H2282-I2416 HydrophobicContact CB-CD1 3.67Å; H2282-I2416 HydrophobicContact CB-CG1 4.39Å; H2282-I2416 PolarHBondContact CE1-O 3.19Å; H2282-I2416 WeakPolarHBondContact ND1-CD1 3.42Å; V2283-I2416 HydrophobicContact CB-CD1 4.35Å; V2283-I2416 HydrophobicContact CG1-CD1 3.47Å; V2283-I2416 HydrophobicContact CG1-CG1 3.78Å; V2283-I2416 HydrophobicContact CG1-CG2 4.24Å; R2284-I2416 VanDerWaalsContact CD-CG2 3.45Å; R2284-I2416 HydrophobicContact CG-CG2 3.82Å; E2414-I2416 PolarHBondContact O-N 3.4Å; I2416-P2443 HydrophobicContact CB-CB 4.16Å; I2416-P2443 VanDerWaalsContact CD1-O 3.28Å; I2416-P2443 WeakPolarHBondContact CD1-O 3.26Å; I2416-P2443 HydrophobicContact CG2-CB 4.3Å; I2416-Q2446 HydrophobicContact CD1-CB 4.08Å; I2416-Q2446 HydrophobicContact CD1-CG 4.33Å; I2416-A2449 HydrophobicContact CD1-CB 3.26Å; I2416-A2449 HydrophobicContact CG1-CB 4.29Å |
| 2417 | V | 58.4 | Low | 73.8 | Confident | 51 Ų | 51 | 68.4 Ų | 68.4 | 31% | 0.309 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -133.9 | 129.5 | -176.2 | -170 | 0 | 0 | 0 | 0 | 109.3 | P2415 S2419 V2421 M2439 P2443 | P2415-V2417 VanDerWaalsContact C-N 3.25Å; P2415-V2417 PolarHBondContact O-N 2.67Å; V2417-S2419 PolarHBondContact O-N 3.18Å; V2417-V2421 HydrophobicContact CG1-CB 3.55Å; V2417-V2421 HydrophobicContact CG1-CG1 4.31Å; V2417-V2421 HydrophobicContact CG1-CG2 3.44Å; V2417-V2421 VanDerWaalsContact CG1-CG2 3.44Å; V2417-M2439 HydrophobicContact CG1-CG 4.32Å; V2417-M2439 HydrophobicContact CG2-CE 3.74Å; V2417-M2439 HydrophobicContact CG2-CG 4.25Å; V2417-M2439 HydrophobicContact CG2-SD 3.87Å; V2417-P2443 HydrophobicContact CB-CB 4.45Å; V2417-P2443 HydrophobicContact CB-CG 4.3Å; V2417-P2443 HydrophobicContact CG2-CB 4.06Å; V2417-P2443 HydrophobicContact CG2-CG 3.98Å |
| 2418 | S | 53.4 | Low | 72.4 | Confident | 110 Ų | 110 | 71.5 Ų | 71.5 | 77% | 0.769 | 43% | 0.427 | S | S | * | . | trans | -64.5 | 115.2 | 163.3 | 89.8 | 0 | 0 | 0 | 0 | 111.8 | S2420 V2421 | S2418-S2420 PolarHBondContact O-N 3.09Å; S2418-S2420 PolarHBondContact OG-N 3.47Å; S2418-S2420 PolarHBondContact OG-OG 2.85Å; S2418-V2421 PolarHBondContact O-N 3.31Å | ||
| 2419 | S | 53.2 | Low | 71 | Confident | 71.2 Ų | 71.2 | 73.5 Ų | 73.5 | 50% | 0.498 | 44% | 0.443 | S | S | . | . | trans | -108.3 | 128.2 | 179.3 | 99 | 0 | 0 | 0 | 0 | 113.5 | V2417 V2421 P2443 D2444 | V2417-S2419 PolarHBondContact O-N 3.18Å; S2419-V2421 VanDerWaalsContact C-N 3.25Å; S2419-V2421 WeakPolarHBondContact OG-CB 3.17Å; S2419-V2421 PolarHBondContact OG-N 2.92Å; S2419-V2421 PolarHBondContact OG-O 3Å; S2419-P2443 WeakPolarHBondContact CB-O 3.37Å; S2419-P2443 PolarHBondContact OG-O 2.01Å; S2419-D2444 WeakPolarHBondContact CB-OD1 2.9Å; S2419-D2444 WeakPolarHBondContact OG-CA 3.27Å; S2419-D2444 WeakPolarHBondContact OG-CB 3.26Å; S2419-D2444 PolarHBondContact OG-OD1 3.09Å | ||
| 2420 | S | 56.4 | Low | 69.6 | Low | 112 Ų | 112 | 77.2 Ų | 77.2 | 78% | 0.783 | 47% | 0.465 | S | S | * | . | trans | -103.5 | 11.3 | 171.3 | 58.1 | 0 | 0 | 0 | 0 | 113.2 | S2418 P2422 D2444 | S2418-S2420 PolarHBondContact O-N 3.09Å; S2418-S2420 PolarHBondContact OG-N 3.47Å; S2418-S2420 PolarHBondContact OG-OG 2.85Å; S2420-P2422 WeakPolarHBondContact O-CD 3.28Å; S2420-D2444 PolarHBondContact N-OD1 2.91Å | ||
| 2421 | V | 58.4 | Low | 68.4 | Low | 67.8 Ų | 67.8 | 77.1 Ų | 77.1 | 41% | 0.411 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -93 | 128.9 | 177.5 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | V2417 S2418 S2419 M2439 S2442 P2443 | V2417-V2421 HydrophobicContact CG1-CB 3.55Å; V2417-V2421 HydrophobicContact CG1-CG1 4.31Å; V2417-V2421 HydrophobicContact CG1-CG2 3.44Å; V2417-V2421 VanDerWaalsContact CG1-CG2 3.44Å; S2418-V2421 PolarHBondContact O-N 3.31Å; S2419-V2421 VanDerWaalsContact C-N 3.25Å; S2419-V2421 WeakPolarHBondContact OG-CB 3.17Å; S2419-V2421 PolarHBondContact OG-N 2.92Å; S2419-V2421 PolarHBondContact OG-O 3Å; V2421-M2439 HydrophobicContact CB-CG 4.38Å; V2421-M2439 HydrophobicContact CG1-CG 4Å; V2421-S2442 PolarHBondContact O-OG 3.44Å; V2421-P2443 HydrophobicContact CB-CB 3.33Å; V2421-P2443 HydrophobicContact CB-CG 4.13Å; V2421-P2443 HydrophobicContact CG1-CB 3.51Å; V2421-P2443 HydrophobicContact CG1-CG 4.12Å; V2421-P2443 HydrophobicContact CG2-CB 4.45Å; V2421-P2443 HydrophobicContact CG2-CG 3.55Å; V2421-P2443 WeakPolarHBondContact O-CB 3.27Å; V2421-P2443 WeakPolarHBondContact O-CG 3.28Å |
| 2422 | P | 61.2 | Low | 67.1 | Low | 94.6 Ų | 94.6 | 83.8 Ų | 83.8 | 61% | 0.614 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -74.1 | 149.9 | -177.7 | 19.3 | -20.9 | 0 | 0 | 0 | 113.3 | S2420 C2438 M2439 | S2420-P2422 WeakPolarHBondContact O-CD 3.28Å; P2422-C2438 CarbonylContact O-C 3.46Å; P2422-C2438 WeakPolarHBondContact O-CA 3.19Å; P2422-C2438 VanDerWaalsContact O-CB 3.25Å; P2422-C2438 WeakPolarHBondContact O-CB 3.34Å; P2422-M2439 PolarHBondContact O-N 3.18Å; P2422-M2439 VanDerWaalsContact O-N 3.09Å |
| 2423 | K | 63.5 | Low | 65.9 | Low | 157.2 Ų | 157.2 | 90.6 Ų | 90.6 | 68% | 0.683 | 53% | 0.53 | S | S | * | . | B | Isolated β-bridge | trans | -62.8 | 140.2 | 172.3 | -167.7 | 174.4 | -176.1 | 173.3 | 0 | 110.3 | S2425 E2445 | K2423-S2425 PolarHBondContact O-N 3.14Å; K2423-E2445 IonicContact NZ-OE1 2.93Å; K2423-E2445 PolarHBondContact NZ-OE1 3.07Å |
| 2424 | C | 66.6 | Low | 64.8 | Low | 20.4 Ų | 20.4 | 86 Ų | 86 | 14% | 0.138 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 136.4 | 173.3 | -72.2 | 0 | 0 | 0 | 0 | 111.5 | F2428 C2438 M2439 I2440 | C2424-F2428 HydrophobicContact CB-CB 4.1Å; C2424-F2428 HydrophobicContact CB-CD1 4.28Å; C2424-F2428 HydrophobicContact CB-CG 4.26Å; C2424-C2438 WeakPolarHBondContact CA-SG 3.34Å; C2424-C2438 HydrophobicContact CB-CB 4Å; C2424-C2438 WeakPolarHBondContact CB-SG 3.34Å; C2424-C2438 VanDerWaalsContact SG-CA 3.51Å; C2424-C2438 WeakPolarHBondContact SG-CB 3.23Å; C2424-C2438 PolarHBondContact SG-O 3.28Å; C2424-C2438 VanDerWaalsContact SG-O 3.32Å; C2424-C2438 CovalentContact SG-SG 2.03Å; C2424-C2438 PolarHBondContact SG-SG 2.96Å; C2424-M2439 PolarHBondContact N-O 2.91Å; C2424-M2439 VanDerWaalsContact SG-C 3.55Å; C2424-M2439 PolarHBondContact SG-O 3.01Å; C2424-I2440 HydrophobicContact CB-CG1 3.94Å; C2424-I2440 VanDerWaalsContact SG-CG1 3.51Å |
| 2425 | S | 68.2 | Low | 63.9 | Low | 101.8 Ų | 101.8 | 89.1 Ų | 89.1 | 71% | 0.712 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 143.8 | 168.5 | 58.9 | 0 | 0 | 0 | 0 | 110.9 | K2423 A2427 F2428 | K2423-S2425 PolarHBondContact O-N 3.14Å; S2425-A2427 CarbonylContact O-C 3.55Å; S2425-A2427 VanDerWaalsContact O-C 3.23Å; S2425-A2427 PolarHBondContact O-N 3.01Å; S2425-A2427 PolarHBondContact OG-N 3.2Å; S2425-A2427 PolarHBondContact OG-O 2.79Å; S2425-A2427 VanDerWaalsContact OG-O 3.06Å; S2425-F2428 WeakPolarHBondContact O-CB 3.15Å; S2425-F2428 PolarHBondContact O-N 3.05Å |
| 2426 | S | 64.8 | Low | 63.4 | Low | 106.2 Ų | 106.2 | 89.8 Ų | 89.8 | 74% | 0.743 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -63.6 | 6.5 | -180 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 2427 | A | 64.2 | Low | 63.3 | Low | 87.8 Ų | 87.8 | 93.4 Ų | 93.4 | 73% | 0.726 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 104.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S2425 S2429 | S2425-A2427 CarbonylContact O-C 3.55Å; S2425-A2427 VanDerWaalsContact O-C 3.23Å; S2425-A2427 PolarHBondContact O-N 3.01Å; S2425-A2427 PolarHBondContact OG-N 3.2Å; S2425-A2427 PolarHBondContact OG-O 2.79Å; S2425-A2427 VanDerWaalsContact OG-O 3.06Å; A2427-S2429 PolarHBondContact O-N 3.31Å |
| 2428 | F | 69.1 | Low | 63.6 | Low | 66 Ų | 66 | 92.3 Ų | 92.3 | 29% | 0.289 | 55% | 0.553 | S | S | . | * | trans | -83.6 | 135.2 | 171.8 | 144.1 | -93.1 | 0 | 0 | 0 | 110.1 | H2353 C2424 S2425 T2430 A2434 I2440 R2562 T2594 | H2353-F2428 AromaticContact CE1-CD1 3.65Å; H2353-F2428 AromaticContact CE1-CE1 3.95Å; H2353-F2428 AromaticContact NE2-CD1 3.42Å; H2353-F2428 WeakPolarHBondContact NE2-CD1 3.1Å; H2353-F2428 AromaticContact NE2-CE1 3.76Å; C2424-F2428 HydrophobicContact CB-CB 4.1Å; C2424-F2428 HydrophobicContact CB-CD1 4.28Å; C2424-F2428 HydrophobicContact CB-CG 4.26Å; S2425-F2428 WeakPolarHBondContact O-CB 3.15Å; S2425-F2428 PolarHBondContact O-N 3.05Å; F2428-T2430 HydrophobicContact CD1-CG2 4.39Å; F2428-T2430 HydrophobicContact CE1-CG2 3.7Å; F2428-T2430 VanDerWaalsContact CE1-CG2 3.46Å; F2428-T2430 HydrophobicContact CE2-CG2 4.11Å; F2428-T2430 HydrophobicContact CZ-CG2 3.85Å; F2428-T2430 VanDerWaalsContact CZ-CG2 3.46Å; F2428-T2430 PolarHBondContact O-N 2.92Å; F2428-A2434 HydrophobicContact CZ-CB 4.28Å; F2428-I2440 HydrophobicContact CD1-CD1 4Å; F2428-I2440 HydrophobicContact CD1-CG1 4.12Å; F2428-I2440 HydrophobicContact CD2-CD1 4.05Å; F2428-I2440 HydrophobicContact CD2-CG1 4.3Å; F2428-I2440 HydrophobicContact CD2-CG2 4.37Å; F2428-I2440 HydrophobicContact CE1-CD1 3.7Å; F2428-I2440 VanDerWaalsContact CE1-CD1 3.45Å; F2428-I2440 HydrophobicContact CE1-CG1 4.08Å; F2428-I2440 HydrophobicContact CE1-CG2 4.36Å; F2428-I2440 HydrophobicContact CE2-CD1 3.78Å; F2428-I2440 HydrophobicContact CE2-CG1 4.2Å; F2428-I2440 HydrophobicContact CG-CD1 4.03Å; F2428-I2440 HydrophobicContact CG-CG1 4.18Å; F2428-I2440 HydrophobicContact CZ-CD1 3.4Å; F2428-I2440 VanDerWaalsContact CZ-CD1 3.46Å; F2428-I2440 HydrophobicContact CZ-CG1 4.18Å; F2428-R2562 HydrophobicContact CE2-CG 3.92Å; F2428-R2562 HydrophobicContact CZ-CG 4.02Å; F2428-T2594 HydrophobicContact CE1-CG2 3.94Å; F2428-T2594 HydrophobicContact CZ-CG2 3.94Å | ||
| 2429 | S | 68.4 | Low | 63.9 | Low | 70.6 Ų | 70.6 | 90.9 Ų | 90.9 | 49% | 0.494 | 54% | 0.535 | S | S | . | . | trans | -94.2 | 127.3 | 175.2 | -177.6 | 0 | 0 | 0 | 0 | 110 | A2427 D2431 R2562 | A2427-S2429 PolarHBondContact O-N 3.31Å; S2429-D2431 VanDerWaalsContact C-N 3.3Å; S2429-D2431 PolarHBondContact O-N 3.09Å; S2429-D2431 VanDerWaalsContact O-N 3.15Å; S2429-D2431 WeakPolarHBondContact OG-CB 3.37Å; S2429-D2431 PolarHBondContact OG-N 3.02Å; S2429-D2431 VanDerWaalsContact OG-N 3.16Å; S2429-R2562 PolarHBondContact O-NH1 3.38Å | ||
| 2430 | T | 69.2 | Low | 64.2 | Low | 78.8 Ų | 78.8 | 92.1 Ų | 92.1 | 48% | 0.483 | 54% | 0.535 | S | S | . | . | trans | -81.1 | 17.6 | 173.4 | 56.9 | 0 | 0 | 0 | 0 | 112 | F2428 Q2432 I2440 T2594 H2595 W2635 | F2428-T2430 HydrophobicContact CD1-CG2 4.39Å; F2428-T2430 HydrophobicContact CE1-CG2 3.7Å; F2428-T2430 VanDerWaalsContact CE1-CG2 3.46Å; F2428-T2430 HydrophobicContact CE2-CG2 4.11Å; F2428-T2430 HydrophobicContact CZ-CG2 3.85Å; F2428-T2430 VanDerWaalsContact CZ-CG2 3.46Å; F2428-T2430 PolarHBondContact O-N 2.92Å; T2430-Q2432 PolarHBondContact O-N 3.36Å; T2430-I2440 HydrophobicContact CG2-CD1 3.43Å; T2430-I2440 VanDerWaalsContact CG2-CD1 3.43Å; T2430-T2594 VanDerWaalsContact CG2-O 3.23Å; T2430-T2594 WeakPolarHBondContact CG2-O 3.23Å; T2430-H2595 PolarHBondContact O-NE2 3.07Å; T2430-W2635 WeakPolarHBondContact O-CZ2 3.12Å; T2430-W2635 PolarHBondContact O-NE1 2.93Å | ||
| 2431 | D | 71.6 | Confident | 64.1 | Low | 90.2 Ų | 90.2 | 88.1 Ų | 88.1 | 48% | 0.482 | 51% | 0.512 | S | S | . | . | trans | -67.2 | 140.6 | 176.7 | 169.7 | -45 | 0 | 0 | 0 | 111.2 | S2429 F2433 A2434 | S2429-D2431 VanDerWaalsContact C-N 3.3Å; S2429-D2431 PolarHBondContact O-N 3.09Å; S2429-D2431 VanDerWaalsContact O-N 3.15Å; S2429-D2431 WeakPolarHBondContact OG-CB 3.37Å; S2429-D2431 PolarHBondContact OG-N 3.02Å; S2429-D2431 VanDerWaalsContact OG-N 3.16Å; D2431-F2433 PolarHBondContact O-N 3.17Å; D2431-F2433 VanDerWaalsContact O-N 3.12Å; D2431-F2433 WeakPolarHBondContact OD1-CA 3.12Å; D2431-F2433 WeakPolarHBondContact OD1-CB 3.49Å; D2431-F2433 PolarHBondContact OD1-N 3.2Å; D2431-A2434 HydrophobicContact CB-CB 4.13Å; D2431-A2434 VanDerWaalsContact O-CB 3.27Å; D2431-A2434 WeakPolarHBondContact O-CB 3.39Å; D2431-A2434 PolarHBondContact O-N 3.18Å; D2431-A2434 VanDerWaalsContact O-N 3.13Å; D2431-A2434 PolarHBondContact OD1-N 3.03Å | ||
| 2432 | Q | 70.8 | Confident | 63.9 | Low | 145 Ų | 145 | 86.6 Ų | 86.6 | 68% | 0.678 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -17.7 | -176.1 | 70.7 | -175.9 | 10.6 | 0 | 0 | 114.2 | T2430 V2572 W2635 | T2430-Q2432 PolarHBondContact O-N 3.36Å; Q2432-V2572 HydrophobicContact CB-CG1 4.28Å; Q2432-W2635 HydrophobicContact CB-CH2 3.88Å; Q2432-W2635 HydrophobicContact CB-CZ2 3.91Å; Q2432-W2635 HydrophobicContact CG-CH2 4.26Å |
| 2433 | F | 68.2 | Low | 63.5 | Low | 159.4 Ų | 159.4 | 83.7 Ų | 83.7 | 70% | 0.699 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | 2.1 | 177.3 | -56.8 | -64.1 | 0 | 0 | 0 | 112.9 | D2431 T2435 | D2431-F2433 PolarHBondContact O-N 3.17Å; D2431-F2433 VanDerWaalsContact O-N 3.12Å; D2431-F2433 WeakPolarHBondContact OD1-CA 3.12Å; D2431-F2433 WeakPolarHBondContact OD1-CB 3.49Å; D2431-F2433 PolarHBondContact OD1-N 3.2Å; F2433-T2435 PolarHBondContact O-N 3.02Å |
| 2434 | A | 63.5 | Low | 63.1 | Low | 39.2 Ų | 39.2 | 79.7 Ų | 79.7 | 32% | 0.324 | 47% | 0.472 | S | S | . | . | trans | -61 | 116.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | F2428 D2431 H2436 | F2428-A2434 HydrophobicContact CZ-CB 4.28Å; D2431-A2434 HydrophobicContact CB-CB 4.13Å; D2431-A2434 VanDerWaalsContact O-CB 3.27Å; D2431-A2434 WeakPolarHBondContact O-CB 3.39Å; D2431-A2434 PolarHBondContact O-N 3.18Å; D2431-A2434 VanDerWaalsContact O-N 3.13Å; D2431-A2434 PolarHBondContact OD1-N 3.03Å; A2434-H2436 PolarHBondContact O-CE1 2.79Å; A2434-H2436 PolarHBondContact O-N 3.22Å; A2434-H2436 VanDerWaalsContact O-N 3.16Å; A2434-H2436 PolarHBondContact O-ND1 2.95Å | ||
| 2435 | T | 59 | Low | 62.6 | Low | 123 Ų | 123 | 83.8 Ų | 83.8 | 76% | 0.755 | 49% | 0.488 | S | S | * | . | trans | -70.5 | 117.5 | 174.3 | -32.9 | 0 | 0 | 0 | 0 | 108.9 | F2433 T2437 | F2433-T2435 PolarHBondContact O-N 3.02Å; T2435-T2437 HydrophobicContact CG2-CG2 4.24Å; T2435-T2437 PolarHBondContact O-N 3.13Å; T2435-T2437 VanDerWaalsContact O-N 3.15Å | ||
| 2436 | H | 57.9 | Low | 62.1 | Low | 97 Ų | 97 | 83.1 Ų | 83.1 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | trans | -78.7 | 101 | 179.5 | -139.4 | 75.5 | 0 | 0 | 0 | 109.8 | A2434 C2438 I2440 R2562 | A2434-H2436 PolarHBondContact O-CE1 2.79Å; A2434-H2436 PolarHBondContact O-N 3.22Å; A2434-H2436 VanDerWaalsContact O-N 3.16Å; A2434-H2436 PolarHBondContact O-ND1 2.95Å; H2436-C2438 PolarHBondContact CD2-O 2.93Å; H2436-C2438 VanDerWaalsContact CD2-O 3.24Å; H2436-C2438 PolarHBondContact CE1-O 2.85Å; H2436-C2438 PolarHBondContact NE2-O 2.99Å; H2436-C2438 PolarHBondContact O-N 3.16Å; H2436-I2440 HydrophobicContact CB-CD1 4.37Å; H2436-I2440 WeakPolarHBondContact CD2-CD1 3.28Å; H2436-I2440 VanDerWaalsContact CD2-CG1 3.42Å; H2436-I2440 WeakPolarHBondContact CD2-CG1 3.46Å; H2436-I2440 WeakPolarHBondContact CE1-CD1 3.34Å; H2436-I2440 WeakPolarHBondContact CE1-CG1 3.5Å; H2436-I2440 VanDerWaalsContact NE2-CD1 3.25Å; H2436-I2440 WeakPolarHBondContact NE2-CD1 3.39Å; H2436-I2440 WeakPolarHBondContact NE2-CG1 3.39Å; H2436-I2440 PolarHBondContact NE2-N 3.4Å; H2436-R2562 PolarHBondContact CE1-NH1 3.01Å; H2436-R2562 PolarHBondContact CE1-NH2 2.76Å; H2436-R2562 PolarHBondContact ND1-NH2 2.99Å; H2436-R2562 PolarHBondContact NE2-NH2 2.94Å | ||
| 2437 | T | 62.8 | Low | 62 | Low | 113.2 Ų | 113.2 | 84.1 Ų | 84.1 | 69% | 0.694 | 47% | 0.47 | S | S | * | . | trans | -94.8 | -0.4 | -177.1 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | T2435 | T2435-T2437 HydrophobicContact CG2-CG2 4.24Å; T2435-T2437 PolarHBondContact O-N 3.13Å; T2435-T2437 VanDerWaalsContact O-N 3.15Å | ||
| 2438 | C | 65.3 | Low | 62.2 | Low | 27.8 Ų | 27.8 | 80.1 Ų | 80.1 | 19% | 0.188 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -145.7 | 161 | -177 | 55.5 | 0 | 0 | 0 | 0 | 109.6 | P2422 C2424 H2436 I2440 | P2422-C2438 CarbonylContact O-C 3.46Å; P2422-C2438 WeakPolarHBondContact O-CA 3.19Å; P2422-C2438 VanDerWaalsContact O-CB 3.25Å; P2422-C2438 WeakPolarHBondContact O-CB 3.34Å; C2424-C2438 WeakPolarHBondContact CA-SG 3.34Å; C2424-C2438 HydrophobicContact CB-CB 4Å; C2424-C2438 WeakPolarHBondContact CB-SG 3.34Å; C2424-C2438 VanDerWaalsContact SG-CA 3.51Å; C2424-C2438 WeakPolarHBondContact SG-CB 3.23Å; C2424-C2438 PolarHBondContact SG-O 3.28Å; C2424-C2438 VanDerWaalsContact SG-O 3.32Å; C2424-C2438 CovalentContact SG-SG 2.03Å; C2424-C2438 PolarHBondContact SG-SG 2.96Å; H2436-C2438 PolarHBondContact CD2-O 2.93Å; H2436-C2438 VanDerWaalsContact CD2-O 3.24Å; H2436-C2438 PolarHBondContact CE1-O 2.85Å; H2436-C2438 PolarHBondContact NE2-O 2.99Å; H2436-C2438 PolarHBondContact O-N 3.16Å; C2438-I2440 PolarHBondContact O-N 3.43Å; C2438-I2440 VanDerWaalsContact O-N 3.12Å |
| 2439 | M | 59.6 | Low | 62.4 | Low | 78.8 Ų | 78.8 | 77.5 Ų | 77.5 | 39% | 0.388 | 43% | 0.429 | S | S | . | . | B | Isolated β-bridge | trans | -84.4 | 127.8 | 176.2 | -69.8 | -86.5 | -74.1 | 0 | 0 | 111.4 | V2417 V2421 P2422 C2424 G2441 P2443 L2447 | V2417-M2439 HydrophobicContact CG1-CG 4.32Å; V2417-M2439 HydrophobicContact CG2-CE 3.74Å; V2417-M2439 HydrophobicContact CG2-CG 4.25Å; V2417-M2439 HydrophobicContact CG2-SD 3.87Å; V2421-M2439 HydrophobicContact CB-CG 4.38Å; V2421-M2439 HydrophobicContact CG1-CG 4Å; P2422-M2439 PolarHBondContact O-N 3.18Å; P2422-M2439 VanDerWaalsContact O-N 3.09Å; C2424-M2439 PolarHBondContact N-O 2.91Å; C2424-M2439 VanDerWaalsContact SG-C 3.55Å; C2424-M2439 PolarHBondContact SG-O 3.01Å; M2439-G2441 VanDerWaalsContact C-N 3.32Å; M2439-G2441 PolarHBondContact O-N 3.32Å; M2439-P2443 HydrophobicContact CB-CG 4.44Å; M2439-P2443 HydrophobicContact CE-CB 3.87Å; M2439-P2443 HydrophobicContact CE-CG 3.88Å; M2439-L2447 HydrophobicContact CE-CD2 3.82Å |
| 2440 | I | 58.7 | Low | 62.9 | Low | 97 Ų | 97 | 77.2 Ų | 77.2 | 50% | 0.497 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -82.9 | 111.2 | 165.4 | -61.6 | 156.5 | 0 | 0 | 0 | 106.8 | C2424 F2428 T2430 H2436 C2438 | C2424-I2440 HydrophobicContact CB-CG1 3.94Å; C2424-I2440 VanDerWaalsContact SG-CG1 3.51Å; F2428-I2440 HydrophobicContact CD1-CD1 4Å; F2428-I2440 HydrophobicContact CD1-CG1 4.12Å; F2428-I2440 HydrophobicContact CD2-CD1 4.05Å; F2428-I2440 HydrophobicContact CD2-CG1 4.3Å; F2428-I2440 HydrophobicContact CD2-CG2 4.37Å; F2428-I2440 HydrophobicContact CE1-CD1 3.7Å; F2428-I2440 VanDerWaalsContact CE1-CD1 3.45Å; F2428-I2440 HydrophobicContact CE1-CG1 4.08Å; F2428-I2440 HydrophobicContact CE1-CG2 4.36Å; F2428-I2440 HydrophobicContact CE2-CD1 3.78Å; F2428-I2440 HydrophobicContact CE2-CG1 4.2Å; F2428-I2440 HydrophobicContact CG-CD1 4.03Å; F2428-I2440 HydrophobicContact CG-CG1 4.18Å; F2428-I2440 HydrophobicContact CZ-CD1 3.4Å; F2428-I2440 VanDerWaalsContact CZ-CD1 3.46Å; F2428-I2440 HydrophobicContact CZ-CG1 4.18Å; T2430-I2440 HydrophobicContact CG2-CD1 3.43Å; T2430-I2440 VanDerWaalsContact CG2-CD1 3.43Å; H2436-I2440 HydrophobicContact CB-CD1 4.37Å; H2436-I2440 WeakPolarHBondContact CD2-CD1 3.28Å; H2436-I2440 VanDerWaalsContact CD2-CG1 3.42Å; H2436-I2440 WeakPolarHBondContact CD2-CG1 3.46Å; H2436-I2440 WeakPolarHBondContact CE1-CD1 3.34Å; H2436-I2440 WeakPolarHBondContact CE1-CG1 3.5Å; H2436-I2440 VanDerWaalsContact NE2-CD1 3.25Å; H2436-I2440 WeakPolarHBondContact NE2-CD1 3.39Å; H2436-I2440 WeakPolarHBondContact NE2-CG1 3.39Å; H2436-I2440 PolarHBondContact NE2-N 3.4Å; C2438-I2440 PolarHBondContact O-N 3.43Å; C2438-I2440 VanDerWaalsContact O-N 3.12Å |
| 2441 | G | 56 | Low | 63.7 | Low | 28.8 Ų | 28.8 | 75.6 Ų | 75.6 | 30% | 0.297 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 104.4 | 161.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M2439 P2443 E2445 | M2439-G2441 VanDerWaalsContact C-N 3.32Å; M2439-G2441 PolarHBondContact O-N 3.32Å; G2441-P2443 VanDerWaalsContact O-CD 3.28Å; G2441-P2443 WeakPolarHBondContact O-CD 3.46Å; G2441-E2445 WeakPolarHBondContact CA-OE2 3.4Å |
| 2442 | S | 53.9 | Low | 64.6 | Low | 35.4 Ų | 35.4 | 71.6 Ų | 71.6 | 25% | 0.248 | 39% | 0.386 | C | S | . | . | trans | -83.9 | 138 | 169.7 | -157.3 | 0 | 0 | 0 | 0 | 110.3 | V2421 D2444 E2445 | V2421-S2442 PolarHBondContact O-OG 3.44Å; S2442-D2444 VanDerWaalsContact CB-CB 3.45Å; S2442-D2444 VanDerWaalsContact CB-N 3.35Å; S2442-D2444 WeakPolarHBondContact CB-OD1 3.34Å; S2442-D2444 WeakPolarHBondContact CB-OD2 3.22Å; S2442-D2444 PolarHBondContact O-N 3.26Å; S2442-D2444 VanDerWaalsContact O-N 3.12Å; S2442-D2444 WeakPolarHBondContact OG-CB 3.22Å; S2442-D2444 PolarHBondContact OG-N 3.05Å; S2442-D2444 VanDerWaalsContact OG-N 3.16Å; S2442-D2444 PolarHBondContact OG-OD1 2.87Å; S2442-D2444 PolarHBondContact OG-OD2 3.29Å; S2442-E2445 PolarHBondContact N-OE2 2.88Å; S2442-E2445 WeakPolarHBondContact O-CA 3.38Å; S2442-E2445 VanDerWaalsContact O-CB 3.3Å; S2442-E2445 WeakPolarHBondContact O-CB 3.28Å; S2442-E2445 VanDerWaalsContact O-CG 3.27Å; S2442-E2445 WeakPolarHBondContact O-CG 2.95Å; S2442-E2445 PolarHBondContact O-N 3.34Å | ||
| 2443 | P | 53 | Low | 65.7 | Low | 34.8 Ų | 34.8 | 64.6 Ų | 64.6 | 23% | 0.226 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -57.9 | -21.7 | 165.5 | -22.6 | 34.4 | 0 | 0 | 0 | 113.1 | I2416 V2417 S2419 V2421 M2439 G2441 E2445 Q2446 | I2416-P2443 HydrophobicContact CB-CB 4.16Å; I2416-P2443 VanDerWaalsContact CD1-O 3.28Å; I2416-P2443 WeakPolarHBondContact CD1-O 3.26Å; I2416-P2443 HydrophobicContact CG2-CB 4.3Å; V2417-P2443 HydrophobicContact CB-CB 4.45Å; V2417-P2443 HydrophobicContact CB-CG 4.3Å; V2417-P2443 HydrophobicContact CG2-CB 4.06Å; V2417-P2443 HydrophobicContact CG2-CG 3.98Å; S2419-P2443 WeakPolarHBondContact CB-O 3.37Å; S2419-P2443 PolarHBondContact OG-O 2.01Å; V2421-P2443 HydrophobicContact CB-CB 3.33Å; V2421-P2443 HydrophobicContact CB-CG 4.13Å; V2421-P2443 HydrophobicContact CG1-CB 3.51Å; V2421-P2443 HydrophobicContact CG1-CG 4.12Å; V2421-P2443 HydrophobicContact CG2-CB 4.45Å; V2421-P2443 HydrophobicContact CG2-CG 3.55Å; V2421-P2443 WeakPolarHBondContact O-CB 3.27Å; V2421-P2443 WeakPolarHBondContact O-CG 3.28Å; M2439-P2443 HydrophobicContact CB-CG 4.44Å; M2439-P2443 HydrophobicContact CE-CB 3.87Å; M2439-P2443 HydrophobicContact CE-CG 3.88Å; G2441-P2443 VanDerWaalsContact O-CD 3.28Å; G2441-P2443 WeakPolarHBondContact O-CD 3.46Å; P2443-E2445 CarbonylContact O-C 3.29Å; P2443-E2445 PolarHBondContact O-N 3.04Å; P2443-Q2446 VanDerWaalsContact O-CB 3.24Å; P2443-Q2446 WeakPolarHBondContact O-CB 3.36Å; P2443-Q2446 VanDerWaalsContact O-CG 3.3Å; P2443-Q2446 WeakPolarHBondContact O-CG 3.38Å; P2443-Q2446 PolarHBondContact O-N 3.19Å; P2443-Q2446 VanDerWaalsContact O-N 3.08Å |
| 2444 | D | 53.3 | Low | 67.1 | Low | 73.4 Ų | 73.4 | 57.1 Ų | 57.1 | 39% | 0.393 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -64.4 | -16.2 | 171.8 | -50.3 | -30.3 | 0 | 0 | 0 | 112.7 | S2419 S2420 S2442 Q2446 N2450 | S2419-D2444 WeakPolarHBondContact CB-OD1 2.9Å; S2419-D2444 WeakPolarHBondContact OG-CA 3.27Å; S2419-D2444 WeakPolarHBondContact OG-CB 3.26Å; S2419-D2444 PolarHBondContact OG-OD1 3.09Å; S2420-D2444 PolarHBondContact N-OD1 2.91Å; S2442-D2444 VanDerWaalsContact CB-CB 3.45Å; S2442-D2444 VanDerWaalsContact CB-N 3.35Å; S2442-D2444 WeakPolarHBondContact CB-OD1 3.34Å; S2442-D2444 WeakPolarHBondContact CB-OD2 3.22Å; S2442-D2444 PolarHBondContact O-N 3.26Å; S2442-D2444 VanDerWaalsContact O-N 3.12Å; S2442-D2444 WeakPolarHBondContact OG-CB 3.22Å; S2442-D2444 PolarHBondContact OG-N 3.05Å; S2442-D2444 VanDerWaalsContact OG-N 3.16Å; S2442-D2444 PolarHBondContact OG-OD1 2.87Å; S2442-D2444 PolarHBondContact OG-OD2 3.29Å; D2444-Q2446 VanDerWaalsContact C-N 3.33Å; D2444-Q2446 PolarHBondContact O-N 2.81Å; D2444-N2450 PolarHBondContact O-ND2 2.86Å; D2444-N2450 VanDerWaalsContact O-ND2 3.08Å |
| 2445 | E | 57 | Low | 68.7 | Low | 104.8 Ų | 104.8 | 55.2 Ų | 55.2 | 49% | 0.49 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -87.7 | 29.6 | 173.2 | -64.7 | 165.6 | -178.9 | 0 | 0 | 111.3 | K2423 G2441 S2442 P2443 L2447 N2450 | K2423-E2445 IonicContact NZ-OE1 2.93Å; K2423-E2445 PolarHBondContact NZ-OE1 3.07Å; G2441-E2445 WeakPolarHBondContact CA-OE2 3.4Å; S2442-E2445 PolarHBondContact N-OE2 2.88Å; S2442-E2445 WeakPolarHBondContact O-CA 3.38Å; S2442-E2445 VanDerWaalsContact O-CB 3.3Å; S2442-E2445 WeakPolarHBondContact O-CB 3.28Å; S2442-E2445 VanDerWaalsContact O-CG 3.27Å; S2442-E2445 WeakPolarHBondContact O-CG 2.95Å; S2442-E2445 PolarHBondContact O-N 3.34Å; P2443-E2445 CarbonylContact O-C 3.29Å; P2443-E2445 PolarHBondContact O-N 3.04Å; E2445-L2447 PolarHBondContact O-N 2.89Å; E2445-N2450 HydrophobicContact CB-CB 4.42Å; E2445-N2450 HydrophobicContact CG-CB 3.96Å; E2445-N2450 WeakPolarHBondContact CG-ND2 3.19Å |
| 2446 | Q | 58.4 | Low | 70.6 | Confident | 88.8 Ų | 88.8 | 49.4 Ų | 49.4 | 42% | 0.415 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -60.3 | 129.6 | 162.2 | -122 | -178.4 | -4.8 | 0 | 0 | 108.4 | I2416 P2443 D2444 G2448 A2449 | I2416-Q2446 HydrophobicContact CD1-CB 4.08Å; I2416-Q2446 HydrophobicContact CD1-CG 4.33Å; P2443-Q2446 VanDerWaalsContact O-CB 3.24Å; P2443-Q2446 WeakPolarHBondContact O-CB 3.36Å; P2443-Q2446 VanDerWaalsContact O-CG 3.3Å; P2443-Q2446 WeakPolarHBondContact O-CG 3.38Å; P2443-Q2446 PolarHBondContact O-N 3.19Å; P2443-Q2446 VanDerWaalsContact O-N 3.08Å; D2444-Q2446 VanDerWaalsContact C-N 3.33Å; D2444-Q2446 PolarHBondContact O-N 2.81Å; Q2446-G2448 PolarHBondContact O-N 3.08Å; Q2446-A2449 HydrophobicContact CB-CB 4.16Å; Q2446-A2449 WeakPolarHBondContact O-CB 3.31Å; Q2446-A2449 PolarHBondContact O-N 3.09Å |
| 2447 | L | 62.8 | Low | 72.5 | Confident | 126.2 Ų | 126.2 | 44.9 Ų | 44.9 | 66% | 0.661 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.6 | 120.5 | 179.2 | -66.5 | 171.4 | 0 | 0 | 0 | 110.6 | M2439 E2445 A2449 Y2484 | M2439-L2447 HydrophobicContact CE-CD2 3.82Å; E2445-L2447 PolarHBondContact O-N 2.89Å; L2447-A2449 VanDerWaalsContact C-N 3.3Å; L2447-A2449 PolarHBondContact O-N 3.08Å; L2447-Y2484 VanDerWaalsContact C-CE2 3.47Å; L2447-Y2484 VanDerWaalsContact CA-CE2 3.44Å; L2447-Y2484 HydrophobicContact CB-CD1 3.86Å; L2447-Y2484 HydrophobicContact CB-CD2 3.93Å; L2447-Y2484 HydrophobicContact CB-CE1 4Å; L2447-Y2484 HydrophobicContact CB-CE2 3.96Å; L2447-Y2484 HydrophobicContact CB-CG 3.8Å; L2447-Y2484 HydrophobicContact CD1-CD1 4.13Å; L2447-Y2484 HydrophobicContact CD1-CE1 3.94Å; L2447-Y2484 HydrophobicContact CD2-CD1 4.32Å; L2447-Y2484 HydrophobicContact CD2-CE1 3.91Å; L2447-Y2484 VanDerWaalsContact CD2-CE1 3.41Å; L2447-Y2484 HydrophobicContact CD2-CE2 4.21Å; L2447-Y2484 WeakPolarHBondContact CD2-OH 3.3Å; L2447-Y2484 HydrophobicContact CG-CD1 4.29Å; L2447-Y2484 HydrophobicContact CG-CE1 3.86Å; L2447-Y2484 HydrophobicContact CG-CE2 4.36Å |
| 2448 | G | 68.6 | Low | 74.2 | Confident | 4.2 Ų | 4.2 | 39.5 Ų | 39.5 | 4% | 0.043 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | -0.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q2446 N2450 E2451 Y2452 Y2484 | Q2446-G2448 PolarHBondContact O-N 3.08Å; G2448-N2450 VanDerWaalsContact C-N 3.34Å; G2448-N2450 PolarHBondContact O-N 2.94Å; G2448-E2451 CarbonylContact O-C 3.54Å; G2448-E2451 PolarHBondContact O-N 2.97Å; G2448-E2451 VanDerWaalsContact O-N 3.11Å; G2448-Y2452 WeakPolarHBondContact O-CB 2.97Å; G2448-Y2484 VanDerWaalsContact N-CE2 3.32Å |
| 2449 | A | 72.7 | Confident | 75.7 | Confident | 12 Ų | 12 | 38.2 Ų | 38.2 | 10% | 0.099 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -46.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | V2283 I2416 Q2446 L2447 E2451 | V2283-A2449 HydrophobicContact CG1-CB 4.5Å; I2416-A2449 HydrophobicContact CD1-CB 3.26Å; I2416-A2449 HydrophobicContact CG1-CB 4.29Å; Q2446-A2449 HydrophobicContact CB-CB 4.16Å; Q2446-A2449 WeakPolarHBondContact O-CB 3.31Å; Q2446-A2449 PolarHBondContact O-N 3.09Å; L2447-A2449 VanDerWaalsContact C-N 3.3Å; L2447-A2449 PolarHBondContact O-N 3.08Å; A2449-E2451 VanDerWaalsContact C-N 3.32Å |
| 2450 | N | 77.5 | Confident | 77.3 | Confident | 63.2 Ų | 63.2 | 34.7 Ų | 34.7 | 34% | 0.338 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -6.9 | 178.8 | -63.9 | -30.9 | 0 | 0 | 0 | 112.7 | Q2413 P2415 D2444 E2445 G2448 Y2452 F2479 | Q2413-N2450 PolarHBondContact NE2-OD1 2.86Å; P2415-N2450 VanDerWaalsContact CB-OD1 3.27Å; P2415-N2450 WeakPolarHBondContact CB-OD1 3.37Å; D2444-N2450 PolarHBondContact O-ND2 2.86Å; D2444-N2450 VanDerWaalsContact O-ND2 3.08Å; E2445-N2450 HydrophobicContact CB-CB 4.42Å; E2445-N2450 HydrophobicContact CG-CB 3.96Å; E2445-N2450 WeakPolarHBondContact CG-ND2 3.19Å; G2448-N2450 VanDerWaalsContact C-N 3.34Å; G2448-N2450 PolarHBondContact O-N 2.94Å; N2450-Y2452 PolarHBondContact O-N 3.05Å; N2450-F2479 WeakPolarHBondContact O-CZ 3.38Å |
| 2451 | E | 86.9 | Confident | 78.8 | Confident | 45.2 Ų | 45.2 | 32.4 Ų | 32.4 | 21% | 0.211 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -107.6 | 40.8 | -178.4 | -61.8 | 177.2 | 143.8 | 0 | 0 | 110.5 | G2448 A2449 A2483 F2513 M2536 | G2448-E2451 CarbonylContact O-C 3.54Å; G2448-E2451 PolarHBondContact O-N 2.97Å; G2448-E2451 VanDerWaalsContact O-N 3.11Å; A2449-E2451 VanDerWaalsContact C-N 3.32Å; E2451-A2483 HydrophobicContact CB-CB 3.64Å; E2451-A2483 PolarHBondContact O-N 3.12Å; E2451-A2483 VanDerWaalsContact OE2-CB 3.29Å; E2451-A2483 WeakPolarHBondContact OE2-CB 3.48Å; E2451-F2513 VanDerWaalsContact C-CD2 3.44Å; E2451-F2513 VanDerWaalsContact CA-CG 3.46Å; E2451-F2513 HydrophobicContact CB-CB 3.93Å; E2451-F2513 HydrophobicContact CB-CD1 3.78Å; E2451-F2513 HydrophobicContact CB-CD2 4.43Å; E2451-F2513 HydrophobicContact CB-CE1 4.46Å; E2451-F2513 HydrophobicContact CB-CG 3.81Å; E2451-F2513 HydrophobicContact CG-CD1 3.9Å; E2451-F2513 HydrophobicContact CG-CE1 4.35Å; E2451-F2513 HydrophobicContact CG-CG 4.4Å; E2451-F2513 WeakPolarHBondContact O-CB 3.35Å; E2451-M2536 HydrophobicContact CG-CE 4.46Å; E2451-M2536 WeakPolarHBondContact OE1-CE 3.35Å |
| 2452 | Y | 90.3 | Very high | 80.5 | Confident | 5.4 Ų | 5.4 | 37.7 Ų | 37.7 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | B | Isolated β-bridge | trans | -121.1 | 76.3 | -172.4 | -163.3 | -101.4 | 0 | 0 | 0 | 111.6 | H2282 V2283 K2294 G2448 N2450 Q2482 R2485 | H2282-Y2452 VanDerWaalsContact C-CD1 3.5Å; H2282-Y2452 VanDerWaalsContact O-CE1 3.29Å; H2282-Y2452 WeakPolarHBondContact O-CE1 3.4Å; V2283-Y2452 HydrophobicContact CB-CD2 4.33Å; V2283-Y2452 HydrophobicContact CB-CG 4.43Å; V2283-Y2452 HydrophobicContact CG2-CD2 4.19Å; V2283-Y2452 HydrophobicContact CG2-CE2 4.43Å; K2294-Y2452 HydrophobicContact CB-CE1 4.27Å; K2294-Y2452 HydrophobicContact CD-CD1 4.03Å; K2294-Y2452 HydrophobicContact CD-CE1 3.94Å; K2294-Y2452 PolarHBondContact NZ-O 3.16Å; G2448-Y2452 WeakPolarHBondContact O-CB 2.97Å; N2450-Y2452 PolarHBondContact O-N 3.05Å; Y2452-Q2482 HydrophobicContact CD2-CB 3.98Å; Y2452-Q2482 HydrophobicContact CD2-CG 3.76Å; Y2452-Q2482 HydrophobicContact CE2-CB 4.06Å; Y2452-Q2482 HydrophobicContact CE2-CG 3.69Å; Y2452-Q2482 VanDerWaalsContact CE2-OE1 3.26Å; Y2452-Q2482 HydrophobicContact CG-CG 4.35Å; Y2452-Q2482 VanDerWaalsContact CZ-CD 3.45Å; Y2452-Q2482 PolarHBondContact OH-NE2 3.08Å; Y2452-Q2482 PolarHBondContact OH-OE1 3.1Å; Y2452-R2485 VanDerWaalsContact CE2-CZ 3.42Å; Y2452-R2485 PolarHBondContact OH-NH1 3.15Å |
| 2453 | G | 94.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -81.8 | 176.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | F2479 G2481 Q2482 | G2453-F2479 CarbonylContact C-O 3.58Å; G2453-F2479 WeakPolarHBondContact CA-O 3.32Å; G2453-G2481 VanDerWaalsContact CA-O 3.23Å; G2453-G2481 WeakPolarHBondContact CA-O 3.21Å; G2453-G2481 PolarHBondContact N-O 3.1Å; G2453-Q2482 VanDerWaalsContact O-CG 3.22Å; G2453-Q2482 WeakPolarHBondContact O-CG 3.35Å; G2453-Q2482 PolarHBondContact O-NE2 3.19Å; G2453-Q2482 VanDerWaalsContact O-NE2 3.1Å | ||
| 2454 | G | 96.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -74.8 | 165.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112 | K2294 F2479 M2480 G2481 | K2294-G2454 WeakPolarHBondContact O-CA 3.22Å; G2454-F2479 PolarHBondContact N-O 3Å; G2454-F2479 VanDerWaalsContact N-O 3.11Å; G2454-M2480 VanDerWaalsContact C-SD 3.57Å; G2454-M2480 CarbonylContact O-C 3.4Å; G2454-M2480 VanDerWaalsContact O-CA 3.23Å; G2454-M2480 WeakPolarHBondContact O-CA 3.42Å; G2454-M2480 WeakPolarHBondContact O-CB 3.36Å; G2454-M2480 VanDerWaalsContact O-CE 3.31Å; G2454-M2480 WeakPolarHBondContact O-CE 3.25Å; G2454-M2480 VanDerWaalsContact O-SD 3.42Å; G2454-G2481 PolarHBondContact O-N 2.98Å |
| 2455 | H | 97.9 | Very high | 85.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 154.6 | 176.5 | 82.6 | 92.6 | 0 | 0 | 0 | 112.5 | Y2291 A2293 K2294 V2295 L2296 Q2482 R2488 Y2489 | Y2291-H2455 PolarHBondContact O-CE1 3.17Å; Y2291-H2455 PolarHBondContact O-NE2 3.14Å; Y2291-H2455 VanDerWaalsContact O-NE2 3.11Å; A2293-H2455 PolarHBondContact O-CD2 2.89Å; A2293-H2455 PolarHBondContact O-NE2 3.2Å; K2294-H2455 PolarHBondContact O-N 2.83Å; K2294-H2455 VanDerWaalsContact O-N 3.13Å; V2295-H2455 WeakPolarHBondContact CA-O 3.33Å; V2295-H2455 VanDerWaalsContact CB-NE2 3.34Å; V2295-H2455 WeakPolarHBondContact CB-NE2 3.36Å; V2295-H2455 WeakPolarHBondContact CG2-CE1 3.38Å; V2295-H2455 VanDerWaalsContact CG2-NE2 3.33Å; V2295-H2455 WeakPolarHBondContact CG2-NE2 3.4Å; L2296-H2455 PolarHBondContact N-O 3.07Å; H2455-Q2482 PolarHBondContact CD2-NE2 2.87Å; H2455-R2488 VanDerWaalsContact CE1-CD 3.47Å; H2455-R2488 WeakPolarHBondContact CE1-CD 3.3Å; H2455-R2488 VanDerWaalsContact NE2-CD 3.27Å; H2455-R2488 WeakPolarHBondContact NE2-CD 3.27Å; H2455-Y2489 VanDerWaalsContact CB-O 3.29Å; H2455-Y2489 WeakPolarHBondContact CB-O 3.3Å |
| 2456 | V | 98.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 121.7 | 176.4 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | L2296 I2458 F2477 M2480 Y2489 P2490 H2492 | L2296-V2456 HydrophobicContact CB-CG2 4.25Å; L2296-V2456 HydrophobicContact CD2-CG1 4.41Å; L2296-V2456 HydrophobicContact CD2-CG2 4.28Å; L2296-V2456 HydrophobicContact CG-CG1 4.33Å; L2296-V2456 CarbonylContact O-C 3.5Å; L2296-V2456 VanDerWaalsContact O-CA 3.3Å; L2296-V2456 WeakPolarHBondContact O-CA 3.25Å; V2456-I2458 HydrophobicContact CG1-CD1 4.25Å; V2456-I2458 HydrophobicContact CG1-CG1 4.09Å; V2456-F2477 HydrophobicContact CG2-CE1 3.86Å; V2456-M2480 HydrophobicContact CG2-CE 4.29Å; V2456-Y2489 PolarHBondContact N-O 3.03Å; V2456-P2490 VanDerWaalsContact CB-O 3.22Å; V2456-P2490 WeakPolarHBondContact CB-O 3.26Å; V2456-P2490 VanDerWaalsContact CG2-O 3.28Å; V2456-P2490 WeakPolarHBondContact CG2-O 3.34Å; V2456-P2490 PolarHBondContact N-O 3Å; V2456-P2490 VanDerWaalsContact N-O 3.12Å; V2456-H2492 WeakPolarHBondContact O-CB 3.28Å; V2456-H2492 PolarHBondContact O-N 3.06Å |
| 2457 | H | 98 | Very high | 89 | Confident | 3.2 Ų | 3.2 | 33.9 Ų | 33.9 | 2% | 0.015 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 116.9 | 179.3 | -174.9 | 105.4 | 0 | 0 | 0 | 110.5 | Y2291 V2295 L2296 A2297 L2298 H2492 H2494 | Y2291-H2457 HydrophobicContact CD1-CB 4.4Å; Y2291-H2457 AromaticContact CD1-CD2 3.76Å; Y2291-H2457 AromaticContact CD1-CG 3.98Å; V2295-H2457 HydrophobicContact CG2-CB 4.14Å; L2296-H2457 PolarHBondContact O-N 3.05Å; A2297-H2457 CarbonylContact C-O 3.54Å; A2297-H2457 WeakPolarHBondContact CA-O 3.32Å; A2297-H2457 HydrophobicContact CB-CB 4.47Å; L2298-H2457 PolarHBondContact N-O 2.9Å; H2457-H2492 AromaticContact ND1-ND1 3.95Å; H2457-H2494 AromaticContact CE1-CD2 3.68Å; H2457-H2494 AromaticContact CE1-CG 3.78Å; H2457-H2494 AromaticContact CE1-ND1 3.6Å; H2457-H2494 AromaticContact NE2-CD2 3.75Å; H2457-H2494 AromaticContact NE2-ND1 3.71Å |
| 2458 | I | 97.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 97.2 | -178.8 | -59.4 | 154 | 0 | 0 | 0 | 107.6 | L2298 V2456 V2468 V2470 I2491 H2492 F2493 H2494 N2496 M2499 | L2298-I2458 HydrophobicContact CD2-CG2 4.4Å; V2456-I2458 HydrophobicContact CG1-CD1 4.25Å; V2456-I2458 HydrophobicContact CG1-CG1 4.09Å; I2458-V2468 HydrophobicContact CG2-CB 4.41Å; I2458-V2468 HydrophobicContact CG2-CG2 4.33Å; I2458-V2470 HydrophobicContact CB-CG2 4.4Å; I2458-V2470 HydrophobicContact CD1-CB 4.46Å; I2458-V2470 HydrophobicContact CD1-CG1 4Å; I2458-V2470 HydrophobicContact CD1-CG2 3.91Å; I2458-V2470 HydrophobicContact CG1-CG2 3.94Å; I2458-V2470 HydrophobicContact CG2-CG2 3.55Å; I2458-I2491 HydrophobicContact CD1-CG2 3.98Å; I2458-H2492 WeakPolarHBondContact CA-O 3.24Å; I2458-H2492 WeakPolarHBondContact CB-O 3.37Å; I2458-H2492 PolarHBondContact N-O 3.22Å; I2458-F2493 HydrophobicContact CB-CD1 4.34Å; I2458-F2493 HydrophobicContact CD1-CD1 4.06Å; I2458-F2493 HydrophobicContact CD1-CE1 3.87Å; I2458-F2493 HydrophobicContact CD1-CG 4.47Å; I2458-F2493 HydrophobicContact CD1-CZ 4.13Å; I2458-F2493 HydrophobicContact CG2-CD1 4.01Å; I2458-F2493 HydrophobicContact CG2-CE1 4.4Å; I2458-H2494 PolarHBondContact O-N 2.91Å; I2458-N2496 PolarHBondContact O-ND2 2.99Å; I2458-M2499 HydrophobicContact CG2-CE 4.28Å |
| 2459 | G | 96.3 | Very high | 91.9 | Very high | 0.2 Ų | 0.2 | 33 Ų | 33 | 0% | 0.002 | 19% | 0.189 | C | C | . | . | trans | -147.5 | 105.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L2298 R2299 H2494 N2496 | L2298-G2459 PolarHBondContact O-N 2.84Å; R2299-G2459 WeakPolarHBondContact CA-O 3.08Å; R2299-G2459 WeakPolarHBondContact CD-O 3.41Å; R2299-G2459 PolarHBondContact NH1-O 3.36Å; R2299-G2459 VanDerWaalsContact NH1-O 3.15Å; G2459-H2494 VanDerWaalsContact CA-O 3.28Å; G2459-H2494 WeakPolarHBondContact CA-O 3.43Å; G2459-N2496 WeakPolarHBondContact CA-OD1 3.25Å | ||
| 2460 | G | 93.1 | Very high | 93.1 | Very high | 4.2 Ų | 4.2 | 32.4 Ų | 32.4 | 4% | 0.043 | 18% | 0.184 | C | C | . | . | trans | -64 | 162 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R2299 F2462 N2496 | R2299-G2460 VanDerWaalsContact NH1-C 3.31Å; R2299-G2460 PolarHBondContact NH1-O 2.97Å; R2299-G2460 WeakPolarHBondContact O-CA 3.37Å; G2460-F2462 PolarHBondContact O-N 3.25Å; G2460-F2462 VanDerWaalsContact O-N 3.12Å; G2460-N2496 PolarHBondContact N-OD1 3.01Å | ||
| 2461 | P | 91.3 | Very high | 94.1 | Very high | 50.4 Ų | 50.4 | 32.4 Ų | 32.4 | 33% | 0.327 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -54.4 | -35 | -177.2 | 23.8 | -34.4 | 0 | 0 | 0 | 113.8 | R2299 S2465 A2467 | R2299-P2461 VanDerWaalsContact CZ-CA 3.43Å; R2299-P2461 PolarHBondContact NH2-O 3.12Å; R2299-P2461 VanDerWaalsContact NH2-O 3.12Å; R2299-P2461 VanDerWaalsContact O-CD 3.29Å; R2299-P2461 WeakPolarHBondContact O-CD 3.36Å; P2461-S2465 WeakPolarHBondContact CD-OG 3.36Å; P2461-A2467 HydrophobicContact CG-CB 4.15Å |
| 2462 | F | 91.1 | Very high | 94.6 | Very high | 138.4 Ų | 138.4 | 30.4 Ų | 30.4 | 61% | 0.607 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -155.2 | 162.6 | 174.7 | 45 | -91.1 | 0 | 0 | 0 | 109.2 | G2460 S2465 | G2460-F2462 PolarHBondContact O-N 3.25Å; G2460-F2462 VanDerWaalsContact O-N 3.12Å; F2462-S2465 VanDerWaalsContact CE2-CB 3.46Å; F2462-S2465 WeakPolarHBondContact O-CB 3.34Å; F2462-S2465 PolarHBondContact O-N 3.16Å; F2462-S2465 PolarHBondContact O-OG 3.14Å |
| 2463 | V | 91.7 | Very high | 95 | Very high | 58.2 Ų | 58.2 | 30.3 Ų | 30.3 | 35% | 0.353 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 140.4 | 176.6 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | S2465 L2495 | V2463-S2465 PolarHBondContact O-N 3.09Å; V2463-S2465 VanDerWaalsContact O-N 3.14Å; V2463-L2495 WeakPolarHBondContact CA-O 3.2Å; V2463-L2495 HydrophobicContact CG2-CB 4.31Å; V2463-L2495 WeakPolarHBondContact CG2-O 3.42Å |
| 2464 | D | 91.4 | Very high | 95.2 | Very high | 96.6 Ų | 96.6 | 31.5 Ų | 31.5 | 52% | 0.517 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 19.5 | -178.3 | -61.5 | -39.9 | 0 | 0 | 0 | 115 | G2466 N2496 G2497 L2498 | D2464-G2466 PolarHBondContact O-N 2.93Å; D2464-G2466 VanDerWaalsContact O-N 3.16Å; D2464-N2496 PolarHBondContact N-O 3.06Å; D2464-G2497 VanDerWaalsContact OD1-CA 3.29Å; D2464-G2497 WeakPolarHBondContact OD1-CA 3.34Å; D2464-L2498 PolarHBondContact OD1-N 2.96Å |
| 2465 | S | 90.4 | Very high | 95.2 | Very high | 29.8 Ų | 29.8 | 31.5 Ų | 31.5 | 21% | 0.208 | 18% | 0.176 | C | C | . | . | trans | -64.8 | -19.8 | 178 | 57.7 | 0 | 0 | 0 | 0 | 114.4 | P2461 F2462 V2463 A2467 | P2461-S2465 WeakPolarHBondContact CD-OG 3.36Å; F2462-S2465 VanDerWaalsContact CE2-CB 3.46Å; F2462-S2465 WeakPolarHBondContact O-CB 3.34Å; F2462-S2465 PolarHBondContact O-N 3.16Å; F2462-S2465 PolarHBondContact O-OG 3.14Å; V2463-S2465 PolarHBondContact O-N 3.09Å; V2463-S2465 VanDerWaalsContact O-N 3.14Å; S2465-A2467 PolarHBondContact O-N 2.95Å; S2465-A2467 WeakPolarHBondContact OG-CB 3.44Å; S2465-A2467 PolarHBondContact OG-N 3.19Å | ||
| 2466 | G | 90.3 | Very high | 95.3 | Very high | 55.2 Ų | 55.2 | 32.5 Ų | 32.5 | 57% | 0.569 | 18% | 0.181 | S | C | * | . | trans | 61.7 | 9.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D2464 | D2464-G2466 PolarHBondContact O-N 2.93Å; D2464-G2466 VanDerWaalsContact O-N 3.16Å | ||
| 2467 | A | 91.8 | Very high | 95.3 | Very high | 17.6 Ų | 17.6 | 32.4 Ų | 32.4 | 15% | 0.145 | 18% | 0.181 | C | C | . | . | trans | -82.8 | -15.3 | -170 | 0 | 0 | 0 | 0 | 0 | 113.9 | N2300 G2301 P2461 S2465 | N2300-A2467 CarbonylContact C-O 3.39Å; N2300-A2467 WeakPolarHBondContact CA-O 3.45Å; N2300-A2467 HydrophobicContact CB-CB 4.37Å; N2300-A2467 PolarHBondContact OD1-O 3.24Å; G2301-A2467 PolarHBondContact N-O 3.23Å; P2461-A2467 HydrophobicContact CG-CB 4.15Å; S2465-A2467 PolarHBondContact O-N 2.95Å; S2465-A2467 WeakPolarHBondContact OG-CB 3.44Å; S2465-A2467 PolarHBondContact OG-N 3.19Å | ||
| 2468 | V | 95.3 | Very high | 95.3 | Very high | 10.2 Ų | 10.2 | 35.7 Ų | 35.7 | 6% | 0.062 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 131.7 | -178.6 | -64.2 | 0 | 0 | 0 | 0 | 110.6 | L2298 R2299 G2301 I2458 N2496 M2499 | L2298-V2468 HydrophobicContact CD2-CB 4Å; L2298-V2468 HydrophobicContact CD2-CG1 4.29Å; L2298-V2468 HydrophobicContact CG-CB 4.23Å; L2298-V2468 HydrophobicContact CG-CG1 3.95Å; R2299-V2468 WeakPolarHBondContact O-CG1 3.45Å; G2301-V2468 WeakPolarHBondContact O-CA 3.42Å; I2458-V2468 HydrophobicContact CG2-CB 4.41Å; I2458-V2468 HydrophobicContact CG2-CG2 4.33Å; V2468-N2496 HydrophobicContact CG2-CB 4.26Å; V2468-N2496 VanDerWaalsContact CG2-OD1 3.27Å; V2468-N2496 WeakPolarHBondContact CG2-OD1 3.34Å; V2468-M2499 HydrophobicContact CG2-CE 3.97Å; V2468-M2499 HydrophobicContact CG2-SD 4.24Å |
| 2469 | K | 96 | Very high | 95.2 | Very high | 102.4 Ų | 102.4 | 36.6 Ų | 36.6 | 45% | 0.445 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 130.6 | 176.4 | -63.3 | 177.4 | -177.2 | 178.7 | 0 | 109.3 | G2301 T2302 I2303 Y2471 | G2301-K2469 PolarHBondContact O-N 3.08Å; G2301-K2469 VanDerWaalsContact O-N 3.09Å; T2302-K2469 WeakPolarHBondContact CA-O 3.35Å; T2302-K2469 HydrophobicContact CG2-CB 4.09Å; I2303-K2469 PolarHBondContact N-O 3.03Å; K2469-Y2471 HydrophobicContact CB-CE2 3.92Å |
| 2470 | V | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 121.4 | -175.7 | 179.2 | 0 | 0 | 0 | 0 | 110.5 | L2298 I2303 I2458 I2472 F2493 M2499 S2502 Y2503 | L2298-V2470 HydrophobicContact CD2-CG2 3.6Å; I2303-V2470 WeakPolarHBondContact O-CA 3.25Å; I2458-V2470 HydrophobicContact CB-CG2 4.4Å; I2458-V2470 HydrophobicContact CD1-CB 4.46Å; I2458-V2470 HydrophobicContact CD1-CG1 4Å; I2458-V2470 HydrophobicContact CD1-CG2 3.91Å; I2458-V2470 HydrophobicContact CG1-CG2 3.94Å; I2458-V2470 HydrophobicContact CG2-CG2 3.55Å; V2470-I2472 HydrophobicContact CG1-CD1 3.63Å; V2470-I2472 HydrophobicContact CG1-CG1 3.68Å; V2470-F2493 HydrophobicContact CB-CE1 4.29Å; V2470-F2493 HydrophobicContact CG1-CE1 4.41Å; V2470-F2493 HydrophobicContact CG1-CZ 4.37Å; V2470-M2499 HydrophobicContact CG2-CE 4.43Å; V2470-S2502 CarbonylContact O-C 3.54Å; V2470-S2502 VanDerWaalsContact O-CA 3.24Å; V2470-S2502 WeakPolarHBondContact O-CA 3.3Å; V2470-S2502 WeakPolarHBondContact O-CB 3.42Å; V2470-Y2503 PolarHBondContact O-N 3.21Å |
| 2471 | Y | 98.3 | Very high | 95.4 | Very high | 62.8 Ų | 62.8 | 36.4 Ų | 36.4 | 25% | 0.246 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 98.5 | 177.2 | -46.3 | -70.7 | 0 | 0 | 0 | 107.9 | T2302 I2303 S2304 I2305 K2469 G2501 Y2503 | T2302-Y2471 HydrophobicContact CG2-CD2 4.13Å; T2302-Y2471 HydrophobicContact CG2-CE2 4.01Å; I2303-Y2471 PolarHBondContact O-N 3.04Å; S2304-Y2471 CarbonylContact C-O 3.51Å; S2304-Y2471 WeakPolarHBondContact CA-O 3.28Å; I2305-Y2471 PolarHBondContact N-O 3.25Å; K2469-Y2471 HydrophobicContact CB-CE2 3.92Å; Y2471-G2501 VanDerWaalsContact CE1-O 3.32Å; Y2471-G2501 WeakPolarHBondContact CE1-O 3.3Å; Y2471-Y2503 AromaticContact CD1-CD1 3.91Å; Y2471-Y2503 HydrophobicContact CD1-CD1 3.91Å; Y2471-Y2503 AromaticContact CD1-CE1 3.55Å; Y2471-Y2503 HydrophobicContact CD1-CE1 3.55Å; Y2471-Y2503 HydrophobicContact CE1-CE1 4.45Å; Y2471-Y2503 HydrophobicContact CG-CE1 4.24Å |
| 2472 | I | 98.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 120.4 | -178.6 | -55.6 | 173.7 | 0 | 0 | 0 | 108.1 | I2303 I2305 V2470 T2475 F2477 Y2503 V2504 R2505 | I2303-I2472 HydrophobicContact CG2-CG1 4.32Å; I2305-I2472 CarbonylContact O-C 3.52Å; I2305-I2472 WeakPolarHBondContact O-CA 3.26Å; V2470-I2472 HydrophobicContact CG1-CD1 3.63Å; V2470-I2472 HydrophobicContact CG1-CG1 3.68Å; I2472-T2475 HydrophobicContact CG2-CG2 4.4Å; I2472-F2477 HydrophobicContact CD1-CZ 4.32Å; I2472-F2477 HydrophobicContact CG2-CE2 4.03Å; I2472-F2477 HydrophobicContact CG2-CZ 4.11Å; I2472-Y2503 PolarHBondContact N-O 2.96Å; I2472-V2504 WeakPolarHBondContact O-CA 3.39Å; I2472-R2505 PolarHBondContact O-N 3Å |
| 2473 | S | 98.2 | Very high | 95.5 | Very high | 4.8 Ų | 4.8 | 27.4 Ų | 27.4 | 3% | 0.034 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 142.7 | 176.7 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | I2305 H2306 G2307 T2475 R2505 | I2305-S2473 PolarHBondContact O-N 3.09Å; I2305-S2473 PolarHBondContact O-OG 3.09Å; H2306-S2473 WeakPolarHBondContact CA-OG 3.43Å; H2306-S2473 PolarHBondContact ND1-OG 2.93Å; G2307-S2473 PolarHBondContact N-O 3.22Å; S2473-T2475 VanDerWaalsContact C-N 3.25Å; S2473-T2475 PolarHBondContact O-N 3.05Å; S2473-T2475 PolarHBondContact O-OG1 2.95Å; S2473-R2505 CarbonylContact C-O 3.42Å; S2473-R2505 WeakPolarHBondContact CA-O 3.37Å; S2473-R2505 WeakPolarHBondContact CB-O 3.42Å |
| 2474 | H | 98.1 | Very high | 95.3 | Very high | 23.8 Ų | 23.8 | 29.2 Ų | 29.2 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 52.1 | 42.3 | 177.7 | -52.9 | -69 | 0 | 0 | 0 | 112.7 | K2308 P2309 R2310 R2405 R2505 G2506 | K2308-H2474 WeakPolarHBondContact O-CB 3.37Å; P2309-H2474 VanDerWaalsContact CA-CE1 3.49Å; P2309-H2474 WeakPolarHBondContact CA-CE1 3.36Å; R2310-H2474 PolarHBondContact N-CE1 3.21Å; R2310-H2474 PolarHBondContact N-NE2 2.69Å; R2405-H2474 WeakPolarHBondContact CB-O 3.29Å; R2405-H2474 WeakPolarHBondContact CG-O 3.43Å; H2474-R2505 PolarHBondContact N-O 3.17Å; H2474-R2505 VanDerWaalsContact N-O 3.11Å; H2474-G2506 WeakPolarHBondContact CA-O 3.25Å |
| 2475 | T | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 138.4 | 179.9 | -55 | 0 | 0 | 0 | 0 | 110.1 | I2305 I2407 I2409 I2472 S2473 F2477 C2507 S2508 | I2305-T2475 HydrophobicContact CG2-CG2 4.31Å; I2305-T2475 WeakPolarHBondContact CG2-OG1 3.32Å; I2407-T2475 HydrophobicContact CB-CG2 4.29Å; I2407-T2475 HydrophobicContact CG2-CG2 3.93Å; I2409-T2475 HydrophobicContact CD1-CG2 3.96Å; I2409-T2475 HydrophobicContact CG1-CG2 3.92Å; I2472-T2475 HydrophobicContact CG2-CG2 4.4Å; S2473-T2475 VanDerWaalsContact C-N 3.25Å; S2473-T2475 PolarHBondContact O-N 3.05Å; S2473-T2475 PolarHBondContact O-OG1 2.95Å; T2475-F2477 HydrophobicContact CG2-CD2 4.29Å; T2475-F2477 HydrophobicContact CG2-CE2 3.77Å; T2475-F2477 HydrophobicContact CG2-CZ 4.12Å; T2475-C2507 CarbonylContact O-C 3.56Å; T2475-C2507 WeakPolarHBondContact O-CA 3.28Å; T2475-C2507 WeakPolarHBondContact O-CB 3.34Å; T2475-S2508 PolarHBondContact O-N 3.07Å |
| 2476 | E | 98.7 | Very high | 95.2 | Very high | 21.4 Ų | 21.4 | 29.8 Ų | 29.8 | 10% | 0.1 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 133 | 174.6 | -178.9 | 177.8 | 175.3 | 0 | 0 | 109.8 | S2404 R2405 I2407 L2408 I2409 S2508 H2510 | S2404-E2476 VanDerWaalsContact CA-OE2 3.25Å; S2404-E2476 WeakPolarHBondContact CA-OE2 3.3Å; R2405-E2476 HydrophobicContact CB-CB 3.76Å; R2405-E2476 HydrophobicContact CG-CB 3.98Å; R2405-E2476 PolarHBondContact N-OE2 2.93Å; I2407-E2476 PolarHBondContact O-N 2.96Å; L2408-E2476 CarbonylContact C-O 3.51Å; L2408-E2476 WeakPolarHBondContact CA-O 3.33Å; L2408-E2476 HydrophobicContact CD1-CB 3.98Å; L2408-E2476 HydrophobicContact CD1-CG 3.71Å; I2409-E2476 PolarHBondContact N-O 3.09Å; E2476-S2508 CarbonylContact C-O 3.54Å; E2476-S2508 WeakPolarHBondContact CA-O 3.38Å; E2476-H2510 IonicContact OE1-CD2 3.02Å; E2476-H2510 IonicContact OE1-CE1 3.3Å; E2476-H2510 PolarHBondContact OE1-CE1 3.08Å; E2476-H2510 IonicContact OE1-NE2 3.63Å; E2476-H2510 PolarHBondContact OE1-NE2 2.94Å |
| 2477 | F | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 112.8 | 174.9 | -70.4 | -94.5 | 0 | 0 | 0 | 107.9 | I2409 V2456 I2472 T2475 M2480 I2491 C2507 S2508 I2509 H2510 | I2409-F2477 HydrophobicContact CB-CD1 3.96Å; I2409-F2477 HydrophobicContact CB-CE1 3.98Å; I2409-F2477 HydrophobicContact CD1-CE1 3.75Å; I2409-F2477 HydrophobicContact CD1-CZ 3.89Å; I2409-F2477 HydrophobicContact CG1-CE1 4.34Å; I2409-F2477 HydrophobicContact CG2-CD1 4.22Å; I2409-F2477 HydrophobicContact CG2-CE1 4.16Å; I2409-F2477 VanDerWaalsContact O-CA 3.3Å; I2409-F2477 WeakPolarHBondContact O-CA 3.25Å; V2456-F2477 HydrophobicContact CG2-CE1 3.86Å; I2472-F2477 HydrophobicContact CD1-CZ 4.32Å; I2472-F2477 HydrophobicContact CG2-CE2 4.03Å; I2472-F2477 HydrophobicContact CG2-CZ 4.11Å; T2475-F2477 HydrophobicContact CG2-CD2 4.29Å; T2475-F2477 HydrophobicContact CG2-CE2 3.77Å; T2475-F2477 HydrophobicContact CG2-CZ 4.12Å; F2477-M2480 HydrophobicContact CB-CG 4.06Å; F2477-M2480 HydrophobicContact CD1-CE 4.08Å; F2477-M2480 HydrophobicContact CD1-CG 4.45Å; F2477-I2491 HydrophobicContact CD1-CG1 4.47Å; F2477-I2491 HydrophobicContact CD2-CD1 4.35Å; F2477-I2491 HydrophobicContact CE1-CD1 4.38Å; F2477-I2491 HydrophobicContact CE1-CG1 4.09Å; F2477-I2491 HydrophobicContact CE2-CD1 3.85Å; F2477-I2491 HydrophobicContact CE2-CG1 4.42Å; F2477-I2491 HydrophobicContact CZ-CD1 3.86Å; F2477-I2491 HydrophobicContact CZ-CG1 4.05Å; F2477-C2507 HydrophobicContact CE2-CB 4.47Å; F2477-S2508 PolarHBondContact N-O 3.1Å; F2477-I2509 HydrophobicContact CB-CB 4.29Å; F2477-I2509 HydrophobicContact CB-CG1 4.03Å; F2477-I2509 HydrophobicContact CB-CG2 4.15Å; F2477-I2509 HydrophobicContact CD2-CG1 3.99Å; F2477-I2509 HydrophobicContact CG-CG1 4.26Å; F2477-I2509 WeakPolarHBondContact O-CA 3.24Å; F2477-H2510 PolarHBondContact O-N 2.87Å |
| 2478 | Y | 97.8 | Very high | 95.5 | Very high | 71 Ų | 71 | 28.4 Ų | 28.4 | 28% | 0.278 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 138.9 | -174.7 | 179.9 | -105.4 | 0 | 0 | 0 | 111.5 | I2409 R2410 G2411 M2480 H2510 K2511 | I2409-Y2478 PolarHBondContact O-N 3.1Å; I2409-Y2478 VanDerWaalsContact O-N 3.08Å; R2410-Y2478 WeakPolarHBondContact CA-O 3.31Å; R2410-Y2478 VanDerWaalsContact CB-O 3.31Å; R2410-Y2478 WeakPolarHBondContact CB-O 3.39Å; G2411-Y2478 PolarHBondContact N-O 2.85Å; Y2478-M2480 VanDerWaalsContact C-N 3.34Å; Y2478-M2480 PolarHBondContact O-N 3.3Å; Y2478-H2510 WeakPolarHBondContact CA-O 3.28Å; Y2478-H2510 AromaticContact CD2-CE1 3.26Å; Y2478-H2510 WeakPolarHBondContact CD2-CE1 3.38Å; Y2478-H2510 AromaticContact CD2-ND1 3.53Å; Y2478-H2510 WeakPolarHBondContact CD2-ND1 3.24Å; Y2478-H2510 AromaticContact CD2-NE2 3.79Å; Y2478-H2510 AromaticContact CE2-CE1 3.74Å; Y2478-H2510 AromaticContact CE2-ND1 3.87Å; Y2478-K2511 HydrophobicContact CD2-CB 4.3Å; Y2478-K2511 HydrophobicContact CD2-CD 4.42Å; Y2478-K2511 HydrophobicContact CE1-CD 4.49Å; Y2478-K2511 HydrophobicContact CE2-CB 4.1Å; Y2478-K2511 HydrophobicContact CE2-CD 3.61Å; Y2478-K2511 HydrophobicContact CE2-CG 4.22Å; Y2478-K2511 WeakPolarHBondContact OH-CD 3.1Å; Y2478-K2511 PolarHBondContact OH-NZ 3.08Å; Y2478-K2511 VanDerWaalsContact OH-NZ 3.09Å |
| 2479 | F | 96 | Very high | 95.6 | Very high | 18.6 Ų | 18.6 | 28 Ų | 28 | 8% | 0.082 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.9 | 54.9 | 179.8 | -157.3 | -89.4 | 0 | 0 | 0 | 110.9 | G2411 T2412 Q2413 N2450 G2453 G2454 H2510 K2511 F2513 | G2411-F2479 WeakPolarHBondContact CA-O 3.42Å; G2411-F2479 PolarHBondContact N-O 3.01Å; G2411-F2479 VanDerWaalsContact N-O 3.14Å; G2411-F2479 WeakPolarHBondContact O-CD1 3.45Å; T2412-F2479 VanDerWaalsContact O-CE1 3.24Å; T2412-F2479 WeakPolarHBondContact O-CE1 3.24Å; Q2413-F2479 HydrophobicContact CB-CE1 4.26Å; Q2413-F2479 HydrophobicContact CB-CE2 4.26Å; Q2413-F2479 HydrophobicContact CB-CZ 3.88Å; Q2413-F2479 HydrophobicContact CG-CE2 4.31Å; Q2413-F2479 HydrophobicContact CG-CZ 4.09Å; N2450-F2479 WeakPolarHBondContact O-CZ 3.38Å; G2453-F2479 CarbonylContact C-O 3.58Å; G2453-F2479 WeakPolarHBondContact CA-O 3.32Å; G2454-F2479 PolarHBondContact N-O 3Å; G2454-F2479 VanDerWaalsContact N-O 3.11Å; F2479-H2510 PolarHBondContact N-O 3.06Å; F2479-K2511 VanDerWaalsContact CA-O 3.26Å; F2479-K2511 WeakPolarHBondContact CA-O 3.28Å; F2479-K2511 HydrophobicContact CD2-CD 4.17Å; F2479-K2511 HydrophobicContact CD2-CG 4.5Å; F2479-K2511 PolarHBondContact N-O 3.13Å; F2479-F2513 AromaticContact CD1-CE2 3.92Å; F2479-F2513 HydrophobicContact CD1-CE2 3.94Å; F2479-F2513 AromaticContact CD2-CE2 3.73Å; F2479-F2513 HydrophobicContact CD2-CE2 3.73Å; F2479-F2513 AromaticContact CD2-CZ 3.7Å; F2479-F2513 HydrophobicContact CD2-CZ 3.7Å; F2479-F2513 AromaticContact CE1-CE2 3.76Å; F2479-F2513 HydrophobicContact CE1-CE2 3.76Å; F2479-F2513 HydrophobicContact CE1-CZ 4.39Å; F2479-F2513 AromaticContact CE2-CE2 3.59Å; F2479-F2513 HydrophobicContact CE2-CE2 3.59Å; F2479-F2513 AromaticContact CE2-CZ 3.39Å; F2479-F2513 HydrophobicContact CE2-CZ 3.39Å; F2479-F2513 VanDerWaalsContact CE2-CZ 3.4Å; F2479-F2513 AromaticContact CG-CE2 3.91Å; F2479-F2513 HydrophobicContact CG-CE2 3.91Å; F2479-F2513 HydrophobicContact CG-CZ 4.34Å; F2479-F2513 AromaticContact CZ-CE2 3.58Å; F2479-F2513 HydrophobicContact CZ-CE2 3.58Å; F2479-F2513 AromaticContact CZ-CZ 3.75Å; F2479-F2513 HydrophobicContact CZ-CZ 3.75Å |
| 2480 | M | 97.2 | Very high | 95.7 | Very high | 0.6 Ų | 0.6 | 23.1 Ų | 23.1 | 0% | 0.003 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 173 | -174.7 | -62.8 | -61.7 | -79.3 | 0 | 0 | 110.9 | L2279 I2409 G2454 V2456 F2477 Y2478 P2490 K2511 S2512 F2513 | L2279-M2480 HydrophobicContact CD1-CE 4.4Å; I2409-M2480 HydrophobicContact CG2-CE 3.95Å; I2409-M2480 HydrophobicContact CG2-SD 4.46Å; G2454-M2480 VanDerWaalsContact C-SD 3.57Å; G2454-M2480 CarbonylContact O-C 3.4Å; G2454-M2480 VanDerWaalsContact O-CA 3.23Å; G2454-M2480 WeakPolarHBondContact O-CA 3.42Å; G2454-M2480 WeakPolarHBondContact O-CB 3.36Å; G2454-M2480 VanDerWaalsContact O-CE 3.31Å; G2454-M2480 WeakPolarHBondContact O-CE 3.25Å; G2454-M2480 VanDerWaalsContact O-SD 3.42Å; V2456-M2480 HydrophobicContact CG2-CE 4.29Å; F2477-M2480 HydrophobicContact CB-CG 4.06Å; F2477-M2480 HydrophobicContact CD1-CE 4.08Å; F2477-M2480 HydrophobicContact CD1-CG 4.45Å; Y2478-M2480 VanDerWaalsContact C-N 3.34Å; Y2478-M2480 PolarHBondContact O-N 3.3Å; M2480-P2490 HydrophobicContact CB-CB 3.65Å; M2480-P2490 HydrophobicContact CB-CG 3.64Å; M2480-P2490 HydrophobicContact CG-CB 4.37Å; M2480-K2511 PolarHBondContact N-O 2.83Å; M2480-S2512 CarbonylContact O-C 3.53Å; M2480-S2512 VanDerWaalsContact O-CA 3.25Å; M2480-S2512 WeakPolarHBondContact O-CA 3.36Å; M2480-S2512 WeakPolarHBondContact O-CB 3.23Å; M2480-S2512 PolarHBondContact O-OG 3.01Å; M2480-F2513 WeakPolarHBondContact O-CD2 3.48Å; M2480-F2513 PolarHBondContact O-N 2.97Å |
| 2481 | G | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | 72.8 | 151.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G2453 G2454 R2488 F2513 | G2453-G2481 VanDerWaalsContact CA-O 3.23Å; G2453-G2481 WeakPolarHBondContact CA-O 3.21Å; G2453-G2481 PolarHBondContact N-O 3.1Å; G2454-G2481 PolarHBondContact O-N 2.98Å; G2481-R2488 VanDerWaalsContact CA-O 3.3Å; G2481-R2488 WeakPolarHBondContact CA-O 3.41Å; G2481-F2513 WeakPolarHBondContact O-CD2 3.39Å | ||
| 2482 | Q | 94 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | B | Isolated β-bridge | trans | -125.1 | 120.1 | 178.5 | -61.1 | 172.7 | 1.3 | 0 | 0 | 110.3 | A2293 Y2452 G2453 H2455 R2485 R2488 N2514 | A2293-Q2482 PolarHBondContact O-NE2 3.18Å; Y2452-Q2482 HydrophobicContact CD2-CB 3.98Å; Y2452-Q2482 HydrophobicContact CD2-CG 3.76Å; Y2452-Q2482 HydrophobicContact CE2-CB 4.06Å; Y2452-Q2482 HydrophobicContact CE2-CG 3.69Å; Y2452-Q2482 VanDerWaalsContact CE2-OE1 3.26Å; Y2452-Q2482 HydrophobicContact CG-CG 4.35Å; Y2452-Q2482 VanDerWaalsContact CZ-CD 3.45Å; Y2452-Q2482 PolarHBondContact OH-NE2 3.08Å; Y2452-Q2482 PolarHBondContact OH-OE1 3.1Å; G2453-Q2482 VanDerWaalsContact O-CG 3.22Å; G2453-Q2482 WeakPolarHBondContact O-CG 3.35Å; G2453-Q2482 PolarHBondContact O-NE2 3.19Å; G2453-Q2482 VanDerWaalsContact O-NE2 3.1Å; H2455-Q2482 PolarHBondContact CD2-NE2 2.87Å; Q2482-R2485 HydrophobicContact CB-CB 4.32Å; Q2482-R2485 PolarHBondContact O-N 3.36Å; Q2482-R2485 VanDerWaalsContact OE1-CD 3.25Å; Q2482-R2488 HydrophobicContact CB-CB 3.83Å; Q2482-R2488 HydrophobicContact CB-CG 4.48Å; Q2482-R2488 HydrophobicContact CG-CB 4.11Å; Q2482-R2488 PolarHBondContact N-O 3.08Å; Q2482-R2488 VanDerWaalsContact N-O 3.08Å; Q2482-N2514 WeakPolarHBondContact O-CB 3.25Å; Q2482-N2514 PolarHBondContact O-ND2 3.12Å |
| 2483 | A | 90.3 | Very high | 95.7 | Very high | 1.2 Ų | 1.2 | 20.2 Ų | 20.2 | 1% | 0.01 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 151.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111 | E2451 R2485 F2513 | E2451-A2483 HydrophobicContact CB-CB 3.64Å; E2451-A2483 PolarHBondContact O-N 3.12Å; E2451-A2483 VanDerWaalsContact OE2-CB 3.29Å; E2451-A2483 WeakPolarHBondContact OE2-CB 3.48Å; A2483-R2485 PolarHBondContact O-N 3.04Å; A2483-R2485 VanDerWaalsContact O-N 3.13Å; A2483-F2513 WeakPolarHBondContact CA-O 3.41Å; A2483-F2513 HydrophobicContact CB-CB 4.42Å; A2483-F2513 PolarHBondContact N-O 3.08Å |
| 2484 | Y | 88.8 | Confident | 95.7 | Very high | 95.4 Ų | 95.4 | 21.7 Ų | 21.7 | 37% | 0.374 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 13.9 | -179.9 | -51.5 | -83.4 | 0 | 0 | 0 | 115.3 | L2447 G2448 S2565 | L2447-Y2484 VanDerWaalsContact C-CE2 3.47Å; L2447-Y2484 VanDerWaalsContact CA-CE2 3.44Å; L2447-Y2484 HydrophobicContact CB-CD1 3.86Å; L2447-Y2484 HydrophobicContact CB-CD2 3.93Å; L2447-Y2484 HydrophobicContact CB-CE1 4Å; L2447-Y2484 HydrophobicContact CB-CE2 3.96Å; L2447-Y2484 HydrophobicContact CB-CG 3.8Å; L2447-Y2484 HydrophobicContact CD1-CD1 4.13Å; L2447-Y2484 HydrophobicContact CD1-CE1 3.94Å; L2447-Y2484 HydrophobicContact CD2-CD1 4.32Å; L2447-Y2484 HydrophobicContact CD2-CE1 3.91Å; L2447-Y2484 VanDerWaalsContact CD2-CE1 3.41Å; L2447-Y2484 HydrophobicContact CD2-CE2 4.21Å; L2447-Y2484 WeakPolarHBondContact CD2-OH 3.3Å; L2447-Y2484 HydrophobicContact CG-CD1 4.29Å; L2447-Y2484 HydrophobicContact CG-CE1 3.86Å; L2447-Y2484 HydrophobicContact CG-CE2 4.36Å; G2448-Y2484 VanDerWaalsContact N-CE2 3.32Å; Y2484-S2565 WeakPolarHBondContact CA-O 3.26Å; Y2484-S2565 VanDerWaalsContact CE1-CA 3.43Å; Y2484-S2565 VanDerWaalsContact CE1-CB 3.48Å; Y2484-S2565 VanDerWaalsContact CE2-CB 3.46Å; Y2484-S2565 PolarHBondContact N-O 2.88Å; Y2484-S2565 VanDerWaalsContact N-O 3.1Å |
| 2485 | R | 89.5 | Confident | 95.6 | Very high | 51.2 Ų | 51.2 | 22.5 Ų | 22.5 | 19% | 0.193 | 10% | 0.101 | C | C | . | . | trans | -135.4 | 109.4 | 176.5 | -67.1 | -178.8 | 174.5 | 89.6 | -4.7 | 111.2 | V2283 E2287 Y2452 Q2482 A2483 R2488 N2514 | V2283-R2485 VanDerWaalsContact CG2-NH1 3.34Å; V2283-R2485 VanDerWaalsContact CG2-NH2 3.28Å; V2283-R2485 PolarHBondContact O-NH2 2.99Å; E2287-R2485 IonicContact OE1-CZ 3.26Å; E2287-R2485 IonicContact OE1-NE 3.19Å; E2287-R2485 PolarHBondContact OE1-NE 2.99Å; E2287-R2485 IonicContact OE1-NH1 2.77Å; E2287-R2485 PolarHBondContact OE1-NH1 3.28Å; E2287-R2485 IonicContact OE1-NH2 3.25Å; Y2452-R2485 VanDerWaalsContact CE2-CZ 3.42Å; Y2452-R2485 PolarHBondContact OH-NH1 3.15Å; Q2482-R2485 HydrophobicContact CB-CB 4.32Å; Q2482-R2485 PolarHBondContact O-N 3.36Å; Q2482-R2485 VanDerWaalsContact OE1-CD 3.25Å; A2483-R2485 PolarHBondContact O-N 3.04Å; A2483-R2485 VanDerWaalsContact O-N 3.13Å; R2485-R2488 HydrophobicContact CB-CB 4.18Å; R2485-R2488 HydrophobicContact CB-CG 3.64Å; R2485-N2514 PolarHBondContact O-ND2 2.86Å | ||
| 2486 | L | 90.5 | Very high | 95.5 | Very high | 87.4 Ų | 87.4 | 22.6 Ų | 22.6 | 46% | 0.458 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | 148.5 | 172.3 | -61.1 | 175.8 | 0 | 0 | 0 | 110.7 | R2488 L2566 L2567 | L2486-R2488 VanDerWaalsContact C-N 3.29Å; L2486-R2488 PolarHBondContact O-N 3.1Å; L2486-L2566 HydrophobicContact CD2-CB 4.42Å; L2486-L2566 HydrophobicContact CD2-CD2 4.24Å; L2486-L2567 HydrophobicContact CD1-CD2 3.77Å; L2486-L2567 HydrophobicContact CD1-CG 4.19Å; L2486-L2567 HydrophobicContact CD2-CD2 4.24Å; L2486-L2567 HydrophobicContact CD2-CG 4.01Å |
| 2487 | G | 92.4 | Very high | 95.3 | Very high | 10 Ų | 10 | 21.6 Ų | 21.6 | 10% | 0.103 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y2489 H2492 | G2487-Y2489 VanDerWaalsContact CA-CE2 3.45Å; G2487-Y2489 PolarHBondContact N-OH 3.25Å; G2487-Y2489 VanDerWaalsContact N-OH 3.12Å; G2487-H2492 VanDerWaalsContact CA-CE1 3.5Å; G2487-H2492 WeakPolarHBondContact CA-CE1 3.24Å; G2487-H2492 PolarHBondContact O-ND1 3.15Å |
| 2488 | R | 95.7 | Very high | 95.2 | Very high | 34.4 Ų | 34.4 | 25.9 Ų | 25.9 | 13% | 0.13 | 12% | 0.12 | C | C | . | . | trans | -112.2 | 64.4 | -179.9 | -54.4 | -63.2 | 178.1 | -101.4 | 1.6 | 110.5 | E2287 L2290 Y2291 H2455 G2481 Q2482 R2485 L2486 | E2287-R2488 IonicContact OE2-CZ 3.61Å; E2287-R2488 IonicContact OE2-NE 2.81Å; E2287-R2488 IonicContact OE2-NH2 3.3Å; E2287-R2488 PolarHBondContact OE2-NH2 3.32Å; E2287-R2488 VanDerWaalsContact OE2-NH2 3.1Å; L2290-R2488 PolarHBondContact O-NH1 3.35Å; Y2291-R2488 PolarHBondContact O-NE 3.5Å; H2455-R2488 VanDerWaalsContact CE1-CD 3.47Å; H2455-R2488 WeakPolarHBondContact CE1-CD 3.3Å; H2455-R2488 VanDerWaalsContact NE2-CD 3.27Å; H2455-R2488 WeakPolarHBondContact NE2-CD 3.27Å; G2481-R2488 VanDerWaalsContact CA-O 3.3Å; G2481-R2488 WeakPolarHBondContact CA-O 3.41Å; Q2482-R2488 HydrophobicContact CB-CB 3.83Å; Q2482-R2488 HydrophobicContact CB-CG 4.48Å; Q2482-R2488 HydrophobicContact CG-CB 4.11Å; Q2482-R2488 PolarHBondContact N-O 3.08Å; Q2482-R2488 VanDerWaalsContact N-O 3.08Å; R2485-R2488 HydrophobicContact CB-CB 4.18Å; R2485-R2488 HydrophobicContact CB-CG 3.64Å; L2486-R2488 VanDerWaalsContact C-N 3.29Å; L2486-R2488 PolarHBondContact O-N 3.1Å | ||
| 2489 | Y | 97 | Very high | 95 | Very high | 0.4 Ų | 0.4 | 22.9 Ų | 22.9 | 0% | 0.002 | 11% | 0.109 | C | C | . | . | trans | -102.3 | 153.3 | -174 | -41.8 | -59 | 0 | 0 | 0 | 111.5 | H2455 V2456 G2487 I2491 H2492 N2514 R2515 N2518 | H2455-Y2489 VanDerWaalsContact CB-O 3.29Å; H2455-Y2489 WeakPolarHBondContact CB-O 3.3Å; V2456-Y2489 PolarHBondContact N-O 3.03Å; G2487-Y2489 VanDerWaalsContact CA-CE2 3.45Å; G2487-Y2489 PolarHBondContact N-OH 3.25Å; G2487-Y2489 VanDerWaalsContact N-OH 3.12Å; Y2489-I2491 VanDerWaalsContact C-N 3.26Å; Y2489-I2491 PolarHBondContact O-N 3.07Å; Y2489-I2491 VanDerWaalsContact O-N 3.15Å; Y2489-H2492 HydrophobicContact CD2-CB 3.79Å; Y2489-H2492 AromaticContact CD2-CD2 3.81Å; Y2489-H2492 AromaticContact CD2-CG 3.52Å; Y2489-H2492 VanDerWaalsContact CD2-CG 3.48Å; Y2489-H2492 AromaticContact CD2-ND1 3.75Å; Y2489-H2492 AromaticContact CE2-CD2 3.98Å; Y2489-H2492 AromaticContact CE2-CE1 3.91Å; Y2489-H2492 AromaticContact CE2-ND1 3.94Å; Y2489-H2492 AromaticContact CE2-NE2 3.94Å; Y2489-H2492 HydrophobicContact CG-CB 4.45Å; Y2489-N2514 HydrophobicContact CD1-CB 4.25Å; Y2489-N2514 VanDerWaalsContact CD1-CG 3.48Å; Y2489-N2514 VanDerWaalsContact CD1-OD1 3.3Å; Y2489-N2514 WeakPolarHBondContact CD1-OD1 3.27Å; Y2489-N2514 WeakPolarHBondContact CE1-ND2 3.31Å; Y2489-N2514 WeakPolarHBondContact CE1-OD1 3.41Å; Y2489-R2515 HydrophobicContact CD1-CB 3.97Å; Y2489-R2515 HydrophobicContact CD1-CG 4.1Å; Y2489-R2515 HydrophobicContact CE1-CB 4.42Å; Y2489-R2515 HydrophobicContact CE1-CG 4.11Å; Y2489-R2515 HydrophobicContact CG-CB 4.28Å; Y2489-R2515 HydrophobicContact CG-CG 4.17Å; Y2489-R2515 PolarHBondContact OH-NH1 3.06Å; Y2489-N2518 WeakPolarHBondContact CB-OD1 3.33Å; Y2489-N2518 HydrophobicContact CD2-CB 3.34Å; Y2489-N2518 VanDerWaalsContact CD2-ND2 3.32Å; Y2489-N2518 WeakPolarHBondContact CD2-ND2 3.28Å; Y2489-N2518 WeakPolarHBondContact CD2-OD1 3.36Å; Y2489-N2518 HydrophobicContact CE2-CB 3.67Å; Y2489-N2518 WeakPolarHBondContact CE2-ND2 3.33Å; Y2489-N2518 HydrophobicContact CG-CB 4.04Å; Y2489-N2518 VanDerWaalsContact CG-CG 3.46Å; Y2489-N2518 VanDerWaalsContact CG-OD1 3.25Å; Y2489-N2518 PolarHBondContact OH-ND2 2.9Å | ||
| 2490 | P | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -49 | -44.1 | 177.4 | -26.1 | 33.6 | 0 | 0 | 0 | 112.7 | V2456 M2480 I2509 S2512 N2514 R2515 A2516 | V2456-P2490 VanDerWaalsContact CB-O 3.22Å; V2456-P2490 WeakPolarHBondContact CB-O 3.26Å; V2456-P2490 VanDerWaalsContact CG2-O 3.28Å; V2456-P2490 WeakPolarHBondContact CG2-O 3.34Å; V2456-P2490 PolarHBondContact N-O 3Å; V2456-P2490 VanDerWaalsContact N-O 3.12Å; M2480-P2490 HydrophobicContact CB-CB 3.65Å; M2480-P2490 HydrophobicContact CB-CG 3.64Å; M2480-P2490 HydrophobicContact CG-CB 4.37Å; P2490-I2509 HydrophobicContact CB-CG2 3.9Å; P2490-I2509 HydrophobicContact CG-CG2 4.09Å; P2490-S2512 WeakPolarHBondContact CG-OG 3.25Å; P2490-N2514 VanDerWaalsContact CD-O 3.26Å; P2490-N2514 WeakPolarHBondContact CD-O 3.3Å; P2490-R2515 WeakPolarHBondContact CD-O 3.25Å; P2490-R2515 VanDerWaalsContact CG-O 3.28Å; P2490-R2515 WeakPolarHBondContact CG-O 3.26Å; P2490-A2516 WeakPolarHBondContact CB-O 3.4Å |
| 2491 | I | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 117.3 | 169.6 | -55 | 177.1 | 0 | 0 | 0 | 109.2 | I2458 F2477 Y2489 F2493 V2504 I2509 A2516 I2517 N2518 | I2458-I2491 HydrophobicContact CD1-CG2 3.98Å; F2477-I2491 HydrophobicContact CD1-CG1 4.47Å; F2477-I2491 HydrophobicContact CD2-CD1 4.35Å; F2477-I2491 HydrophobicContact CE1-CD1 4.38Å; F2477-I2491 HydrophobicContact CE1-CG1 4.09Å; F2477-I2491 HydrophobicContact CE2-CD1 3.85Å; F2477-I2491 HydrophobicContact CE2-CG1 4.42Å; F2477-I2491 HydrophobicContact CZ-CD1 3.86Å; F2477-I2491 HydrophobicContact CZ-CG1 4.05Å; Y2489-I2491 VanDerWaalsContact C-N 3.26Å; Y2489-I2491 PolarHBondContact O-N 3.07Å; Y2489-I2491 VanDerWaalsContact O-N 3.15Å; I2491-F2493 HydrophobicContact CG2-CD2 4.18Å; I2491-F2493 HydrophobicContact CG2-CE2 3.7Å; I2491-F2493 HydrophobicContact CG2-CZ 4.28Å; I2491-V2504 HydrophobicContact CD1-CG1 3.72Å; I2491-V2504 HydrophobicContact CD1-CG2 4.06Å; I2491-V2504 HydrophobicContact CG2-CG2 4.33Å; I2491-I2509 HydrophobicContact CD1-CD1 3.97Å; I2491-A2516 PolarHBondContact N-O 3.16Å; I2491-A2516 VanDerWaalsContact N-O 3.14Å; I2491-I2517 HydrophobicContact CD1-CG1 4.44Å; I2491-I2517 WeakPolarHBondContact O-CA 3.39Å; I2491-N2518 PolarHBondContact O-N 3.14Å |
| 2492 | H | 98.2 | Very high | 94.7 | Very high | 3.2 Ų | 3.2 | 30.4 Ų | 30.4 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 106.2 | 179.9 | -174.7 | -171.5 | 0 | 0 | 0 | 111.5 | V2456 H2457 I2458 G2487 Y2489 H2494 H2520 | V2456-H2492 WeakPolarHBondContact O-CB 3.28Å; V2456-H2492 PolarHBondContact O-N 3.06Å; H2457-H2492 AromaticContact ND1-ND1 3.95Å; I2458-H2492 WeakPolarHBondContact CA-O 3.24Å; I2458-H2492 WeakPolarHBondContact CB-O 3.37Å; I2458-H2492 PolarHBondContact N-O 3.22Å; G2487-H2492 VanDerWaalsContact CA-CE1 3.5Å; G2487-H2492 WeakPolarHBondContact CA-CE1 3.24Å; G2487-H2492 PolarHBondContact O-ND1 3.15Å; Y2489-H2492 HydrophobicContact CD2-CB 3.79Å; Y2489-H2492 AromaticContact CD2-CD2 3.81Å; Y2489-H2492 AromaticContact CD2-CG 3.52Å; Y2489-H2492 VanDerWaalsContact CD2-CG 3.48Å; Y2489-H2492 AromaticContact CD2-ND1 3.75Å; Y2489-H2492 AromaticContact CE2-CD2 3.98Å; Y2489-H2492 AromaticContact CE2-CE1 3.91Å; Y2489-H2492 AromaticContact CE2-ND1 3.94Å; Y2489-H2492 AromaticContact CE2-NE2 3.94Å; Y2489-H2492 HydrophobicContact CG-CB 4.45Å; H2492-H2494 AromaticContact CE1-CD2 3.51Å; H2492-H2494 PolarHBondContact CE1-CD2 3.3Å; H2492-H2494 VanDerWaalsContact CE1-CD2 3.49Å; H2492-H2494 AromaticContact CE1-CG 3.77Å; H2492-H2494 AromaticContact CE1-ND1 3.24Å; H2492-H2494 PolarHBondContact CE1-ND1 3.12Å; H2492-H2494 VanDerWaalsContact CE1-ND1 3.27Å; H2492-H2494 AromaticContact NE2-CD2 3.57Å; H2492-H2494 AromaticContact NE2-CG 3.8Å; H2492-H2494 AromaticContact NE2-ND1 3.21Å; H2492-H2494 PolarHBondContact NE2-ND1 3.07Å; H2492-H2494 VanDerWaalsContact NE2-ND1 3.15Å; H2492-H2494 PolarHBondContact O-N 3.2Å; H2492-H2520 AromaticContact NE2-ND1 3.88Å |
| 2493 | F | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 107.3 | 166.2 | -63.7 | -87.6 | 0 | 0 | 0 | 109.4 | I2458 V2470 I2491 M2499 V2504 I2517 N2518 I2519 H2520 T2522 V2525 I2527 | I2458-F2493 HydrophobicContact CB-CD1 4.34Å; I2458-F2493 HydrophobicContact CD1-CD1 4.06Å; I2458-F2493 HydrophobicContact CD1-CE1 3.87Å; I2458-F2493 HydrophobicContact CD1-CG 4.47Å; I2458-F2493 HydrophobicContact CD1-CZ 4.13Å; I2458-F2493 HydrophobicContact CG2-CD1 4.01Å; I2458-F2493 HydrophobicContact CG2-CE1 4.4Å; V2470-F2493 HydrophobicContact CB-CE1 4.29Å; V2470-F2493 HydrophobicContact CG1-CE1 4.41Å; V2470-F2493 HydrophobicContact CG1-CZ 4.37Å; I2491-F2493 HydrophobicContact CG2-CD2 4.18Å; I2491-F2493 HydrophobicContact CG2-CE2 3.7Å; I2491-F2493 HydrophobicContact CG2-CZ 4.28Å; F2493-M2499 HydrophobicContact CD1-CE 4.09Å; F2493-M2499 HydrophobicContact CD1-SD 3.78Å; F2493-M2499 HydrophobicContact CE1-CE 4.11Å; F2493-M2499 HydrophobicContact CE1-SD 4.34Å; F2493-V2504 HydrophobicContact CE2-CG2 4.03Å; F2493-V2504 HydrophobicContact CZ-CG2 3.88Å; F2493-I2517 HydrophobicContact CE2-CG2 4.4Å; F2493-N2518 PolarHBondContact N-O 3.05Å; F2493-I2519 HydrophobicContact CD2-CG1 4.21Å; F2493-H2520 WeakPolarHBondContact O-CA 3.28Å; F2493-H2520 VanDerWaalsContact O-CB 3.31Å; F2493-H2520 WeakPolarHBondContact O-CB 3.36Å; F2493-H2520 PolarHBondContact O-N 2.95Å; F2493-T2522 HydrophobicContact CB-CG2 3.95Å; F2493-T2522 HydrophobicContact CD1-CG2 4.37Å; F2493-T2522 HydrophobicContact CG-CG2 4.4Å; F2493-V2525 HydrophobicContact CD1-CG1 4.39Å; F2493-V2525 HydrophobicContact CD1-CG2 4.44Å; F2493-V2525 HydrophobicContact CE1-CG1 4.29Å; F2493-V2525 HydrophobicContact CE1-CG2 4.41Å; F2493-V2525 HydrophobicContact CE2-CG1 4.16Å; F2493-V2525 HydrophobicContact CZ-CG1 3.9Å; F2493-I2527 HydrophobicContact CE2-CD1 4.4Å |
| 2494 | H | 96.9 | Very high | 95.3 | Very high | 36.2 Ų | 36.2 | 31.7 Ų | 31.7 | 17% | 0.168 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 106.2 | -169.8 | -172.8 | 73.8 | 0 | 0 | 0 | 112.3 | H2457 I2458 G2459 H2492 N2496 H2520 | H2457-H2494 AromaticContact CE1-CD2 3.68Å; H2457-H2494 AromaticContact CE1-CG 3.78Å; H2457-H2494 AromaticContact CE1-ND1 3.6Å; H2457-H2494 AromaticContact NE2-CD2 3.75Å; H2457-H2494 AromaticContact NE2-ND1 3.71Å; I2458-H2494 PolarHBondContact O-N 2.91Å; G2459-H2494 VanDerWaalsContact CA-O 3.28Å; G2459-H2494 WeakPolarHBondContact CA-O 3.43Å; H2492-H2494 AromaticContact CE1-CD2 3.51Å; H2492-H2494 PolarHBondContact CE1-CD2 3.3Å; H2492-H2494 VanDerWaalsContact CE1-CD2 3.49Å; H2492-H2494 AromaticContact CE1-CG 3.77Å; H2492-H2494 AromaticContact CE1-ND1 3.24Å; H2492-H2494 PolarHBondContact CE1-ND1 3.12Å; H2492-H2494 VanDerWaalsContact CE1-ND1 3.27Å; H2492-H2494 AromaticContact NE2-CD2 3.57Å; H2492-H2494 AromaticContact NE2-CG 3.8Å; H2492-H2494 AromaticContact NE2-ND1 3.21Å; H2492-H2494 PolarHBondContact NE2-ND1 3.07Å; H2492-H2494 VanDerWaalsContact NE2-ND1 3.15Å; H2492-H2494 PolarHBondContact O-N 3.2Å; H2494-N2496 PolarHBondContact N-ND2 3.08Å; H2494-N2496 PolarHBondContact O-N 3Å; H2494-N2496 PolarHBondContact O-ND2 3.39Å; H2494-N2496 PolarHBondContact O-OD1 2.86Å; H2494-H2520 AromaticContact CD2-ND1 3.38Å; H2494-H2520 PolarHBondContact CD2-ND1 3.1Å; H2494-H2520 AromaticContact CE1-CE1 3.83Å; H2494-H2520 AromaticContact CE1-ND1 3.51Å; H2494-H2520 PolarHBondContact CE1-ND1 3.11Å; H2494-H2520 AromaticContact ND1-CE1 3.9Å; H2494-H2520 AromaticContact ND1-CG 3.89Å; H2494-H2520 AromaticContact ND1-ND1 3.2Å; H2494-H2520 PolarHBondContact ND1-ND1 2.86Å; H2494-H2520 AromaticContact NE2-ND1 3.98Å |
| 2495 | L | 95.9 | Very high | 95.7 | Very high | 40.8 Ų | 40.8 | 31.3 Ų | 31.3 | 21% | 0.214 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.8 | 44.5 | 169.5 | -48.3 | -179.2 | 0 | 0 | 0 | 114.8 | V2463 H2520 N2521 P2609 | V2463-L2495 WeakPolarHBondContact CA-O 3.2Å; V2463-L2495 HydrophobicContact CG2-CB 4.31Å; V2463-L2495 WeakPolarHBondContact CG2-O 3.42Å; L2495-H2520 WeakPolarHBondContact CA-O 3.49Å; L2495-H2520 PolarHBondContact N-O 3.09Å; L2495-N2521 HydrophobicContact CD2-CB 3.53Å; L2495-N2521 VanDerWaalsContact CD2-CB 3.5Å; L2495-P2609 HydrophobicContact CD1-CB 4.12Å; L2495-P2609 HydrophobicContact CD2-CB 4.25Å |
| 2496 | N | 96.4 | Very high | 96.1 | Very high | 3.4 Ų | 3.4 | 28.9 Ų | 28.9 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -21.7 | -175.8 | -61.9 | -58.9 | 0 | 0 | 0 | 114.3 | I2458 G2459 G2460 D2464 V2468 H2494 M2499 N2521 T2522 | I2458-N2496 PolarHBondContact O-ND2 2.99Å; G2459-N2496 WeakPolarHBondContact CA-OD1 3.25Å; G2460-N2496 PolarHBondContact N-OD1 3.01Å; D2464-N2496 PolarHBondContact N-O 3.06Å; V2468-N2496 HydrophobicContact CG2-CB 4.26Å; V2468-N2496 VanDerWaalsContact CG2-OD1 3.27Å; V2468-N2496 WeakPolarHBondContact CG2-OD1 3.34Å; H2494-N2496 PolarHBondContact N-ND2 3.08Å; H2494-N2496 PolarHBondContact O-N 3Å; H2494-N2496 PolarHBondContact O-ND2 3.39Å; H2494-N2496 PolarHBondContact O-OD1 2.86Å; N2496-M2499 HydrophobicContact CB-CG 3.7Å; N2496-M2499 HydrophobicContact CB-SD 3.35Å; N2496-M2499 WeakPolarHBondContact CB-SD 3.38Å; N2496-M2499 VanDerWaalsContact CG-SD 3.57Å; N2496-M2499 PolarHBondContact ND2-SD 3.08Å; N2496-M2499 VanDerWaalsContact ND2-SD 3.44Å; N2496-N2521 PolarHBondContact N-O 3.07Å; N2496-T2522 HydrophobicContact CB-CG2 4.18Å; N2496-T2522 PolarHBondContact N-OG1 3.05Å; N2496-T2522 PolarHBondContact ND2-OG1 3.12Å |
| 2497 | G | 95.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 71.3 | -138.3 | -169 | 0 | 0 | 0 | 0 | 0 | 111.9 | D2464 M2499 N2521 T2522 H2523 | D2464-G2497 VanDerWaalsContact OD1-CA 3.29Å; D2464-G2497 WeakPolarHBondContact OD1-CA 3.34Å; G2497-M2499 PolarHBondContact O-N 2.99Å; G2497-N2521 PolarHBondContact N-O 2.81Å; G2497-T2522 CarbonylContact O-C 3.53Å; G2497-T2522 WeakPolarHBondContact O-CA 3.39Å; G2497-H2523 PolarHBondContact O-N 3.06Å |
| 2498 | L | 95.4 | Very high | 96.8 | Very high | 90.2 Ų | 90.2 | 24.3 Ų | 24.3 | 47% | 0.472 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 120.6 | -179.4 | -65.2 | 173.1 | 0 | 0 | 0 | 111.7 | D2464 H2523 E2524 | D2464-L2498 PolarHBondContact OD1-N 2.96Å; L2498-H2523 HydrophobicContact CD2-CB 4.12Å; L2498-E2524 HydrophobicContact CD2-CG 4.2Å |
| 2499 | M | 95.5 | Very high | 96.9 | Very high | 8.2 Ų | 8.2 | 22.7 Ų | 22.7 | 4% | 0.04 | 12% | 0.121 | C | C | . | . | trans | -125.4 | 37.9 | 178 | -73.2 | -163.4 | 70.8 | 0 | 0 | 112.7 | I2458 V2468 V2470 F2493 N2496 G2497 G2501 S2502 T2522 H2523 V2525 | I2458-M2499 HydrophobicContact CG2-CE 4.28Å; V2468-M2499 HydrophobicContact CG2-CE 3.97Å; V2468-M2499 HydrophobicContact CG2-SD 4.24Å; V2470-M2499 HydrophobicContact CG2-CE 4.43Å; F2493-M2499 HydrophobicContact CD1-CE 4.09Å; F2493-M2499 HydrophobicContact CD1-SD 3.78Å; F2493-M2499 HydrophobicContact CE1-CE 4.11Å; F2493-M2499 HydrophobicContact CE1-SD 4.34Å; N2496-M2499 HydrophobicContact CB-CG 3.7Å; N2496-M2499 HydrophobicContact CB-SD 3.35Å; N2496-M2499 WeakPolarHBondContact CB-SD 3.38Å; N2496-M2499 VanDerWaalsContact CG-SD 3.57Å; N2496-M2499 PolarHBondContact ND2-SD 3.08Å; N2496-M2499 VanDerWaalsContact ND2-SD 3.44Å; G2497-M2499 PolarHBondContact O-N 2.99Å; M2499-G2501 PolarHBondContact O-N 3.03Å; M2499-S2502 VanDerWaalsContact CE-OG 3.32Å; M2499-S2502 WeakPolarHBondContact CE-OG 3.41Å; M2499-S2502 VanDerWaalsContact O-CB 3.26Å; M2499-S2502 WeakPolarHBondContact O-CB 3.44Å; M2499-S2502 PolarHBondContact O-N 3.07Å; M2499-S2502 PolarHBondContact O-OG 3.15Å; M2499-S2502 VanDerWaalsContact O-OG 3.13Å; M2499-T2522 HydrophobicContact CB-CG2 4.06Å; M2499-T2522 HydrophobicContact CG-CG2 3.76Å; M2499-T2522 HydrophobicContact SD-CG2 3.49Å; M2499-T2522 VanDerWaalsContact SD-CG2 3.51Å; M2499-T2522 WeakPolarHBondContact SD-CG2 3.37Å; M2499-H2523 PolarHBondContact N-O 3.1Å; M2499-V2525 HydrophobicContact CB-CG1 3.66Å; M2499-V2525 HydrophobicContact CB-CG2 3.78Å | ||
| 2500 | N | 90.6 | Very high | 96.9 | Very high | 129.6 Ų | 129.6 | 22.8 Ų | 22.8 | 69% | 0.693 | 12% | 0.122 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 130 | -179.9 | -167.4 | -6.4 | 0 | 0 | 0 | 112.1 | S2502 E2524 | N2500-S2502 VanDerWaalsContact C-N 3.31Å; N2500-S2502 PolarHBondContact O-N 3.11Å; N2500-E2524 HydrophobicContact CB-CB 4.4Å; N2500-E2524 WeakPolarHBondContact CB-OE2 3.23Å; N2500-E2524 PolarHBondContact ND2-OE2 2.94Å |
| 2501 | G | 93.1 | Very high | 96.7 | Very high | 41.2 Ų | 41.2 | 25.7 Ų | 25.7 | 43% | 0.425 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -9.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | Y2471 M2499 Y2503 | Y2471-G2501 VanDerWaalsContact CE1-O 3.32Å; Y2471-G2501 WeakPolarHBondContact CE1-O 3.3Å; M2499-G2501 PolarHBondContact O-N 3.03Å; G2501-Y2503 WeakPolarHBondContact O-CD1 3.35Å |
| 2502 | S | 97.5 | Very high | 96.6 | Very high | 4.6 Ų | 4.6 | 25.7 Ų | 25.7 | 3% | 0.032 | 13% | 0.134 | C | C | . | . | trans | -75.8 | 141.4 | 171.1 | -59.3 | 0 | 0 | 0 | 0 | 110.7 | V2470 M2499 N2500 L2526 | V2470-S2502 CarbonylContact O-C 3.54Å; V2470-S2502 VanDerWaalsContact O-CA 3.24Å; V2470-S2502 WeakPolarHBondContact O-CA 3.3Å; V2470-S2502 WeakPolarHBondContact O-CB 3.42Å; M2499-S2502 VanDerWaalsContact CE-OG 3.32Å; M2499-S2502 WeakPolarHBondContact CE-OG 3.41Å; M2499-S2502 VanDerWaalsContact O-CB 3.26Å; M2499-S2502 WeakPolarHBondContact O-CB 3.44Å; M2499-S2502 PolarHBondContact O-N 3.07Å; M2499-S2502 PolarHBondContact O-OG 3.15Å; M2499-S2502 VanDerWaalsContact O-OG 3.13Å; N2500-S2502 VanDerWaalsContact C-N 3.31Å; N2500-S2502 PolarHBondContact O-N 3.11Å; S2502-L2526 PolarHBondContact O-N 3.09Å; S2502-L2526 VanDerWaalsContact O-N 3.09Å | ||
| 2503 | Y | 98.2 | Very high | 96.4 | Very high | 28.8 Ų | 28.8 | 26.8 Ų | 26.8 | 11% | 0.113 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 151.2 | -175.1 | 60.5 | -103 | 0 | 0 | 0 | 114.7 | H2306 V2470 Y2471 I2472 G2501 R2505 L2526 | H2306-Y2503 AromaticContact CE1-CZ 3.96Å; H2306-Y2503 PolarHBondContact CE1-OH 3.07Å; V2470-Y2503 PolarHBondContact O-N 3.21Å; Y2471-Y2503 AromaticContact CD1-CD1 3.91Å; Y2471-Y2503 HydrophobicContact CD1-CD1 3.91Å; Y2471-Y2503 AromaticContact CD1-CE1 3.55Å; Y2471-Y2503 HydrophobicContact CD1-CE1 3.55Å; Y2471-Y2503 HydrophobicContact CE1-CE1 4.45Å; Y2471-Y2503 HydrophobicContact CG-CE1 4.24Å; I2472-Y2503 PolarHBondContact N-O 2.96Å; G2501-Y2503 WeakPolarHBondContact O-CD1 3.35Å; Y2503-R2505 HydrophobicContact CD2-CB 4.31Å; Y2503-R2505 HydrophobicContact CD2-CG 3.69Å; Y2503-R2505 HydrophobicContact CE2-CG 3.98Å; Y2503-R2505 PolarHBondContact OH-NH2 3.45Å; Y2503-L2526 CarbonylContact C-O 3.53Å; Y2503-L2526 VanDerWaalsContact CA-O 3.24Å; Y2503-L2526 WeakPolarHBondContact CA-O 3.34Å |
| 2504 | V | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 107.2 | 162.7 | -177.7 | 0 | 0 | 0 | 0 | 106.8 | I2472 I2491 F2493 C2507 I2517 L2526 I2527 E2528 N2530 | I2472-V2504 WeakPolarHBondContact O-CA 3.39Å; I2491-V2504 HydrophobicContact CD1-CG1 3.72Å; I2491-V2504 HydrophobicContact CD1-CG2 4.06Å; I2491-V2504 HydrophobicContact CG2-CG2 4.33Å; F2493-V2504 HydrophobicContact CE2-CG2 4.03Å; F2493-V2504 HydrophobicContact CZ-CG2 3.88Å; V2504-C2507 HydrophobicContact CG1-CB 4.16Å; V2504-I2517 HydrophobicContact CG1-CD1 4.39Å; V2504-L2526 PolarHBondContact N-O 3.17Å; V2504-I2527 HydrophobicContact CB-CD1 3.92Å; V2504-I2527 HydrophobicContact CG2-CD1 4.08Å; V2504-I2527 WeakPolarHBondContact O-CA 3.1Å; V2504-E2528 PolarHBondContact O-N 3.08Å; V2504-E2528 VanDerWaalsContact O-N 3.07Å; V2504-N2530 PolarHBondContact O-ND2 2.96Å |
| 2505 | R | 97.6 | Very high | 96.2 | Very high | 87.4 Ų | 87.4 | 25.1 Ų | 25.1 | 33% | 0.33 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 138.4 | -174.2 | 89.1 | -176.4 | -164.6 | 169.4 | -2.6 | 115.4 | I2472 S2473 H2474 Y2503 C2507 E2528 | I2472-R2505 PolarHBondContact O-N 3Å; S2473-R2505 CarbonylContact C-O 3.42Å; S2473-R2505 WeakPolarHBondContact CA-O 3.37Å; S2473-R2505 WeakPolarHBondContact CB-O 3.42Å; H2474-R2505 PolarHBondContact N-O 3.17Å; H2474-R2505 VanDerWaalsContact N-O 3.11Å; Y2503-R2505 HydrophobicContact CD2-CB 4.31Å; Y2503-R2505 HydrophobicContact CD2-CG 3.69Å; Y2503-R2505 HydrophobicContact CE2-CG 3.98Å; Y2503-R2505 PolarHBondContact OH-NH2 3.45Å; R2505-C2507 PolarHBondContact O-N 2.89Å; R2505-C2507 VanDerWaalsContact O-N 3.11Å; R2505-C2507 PolarHBondContact O-SG 3.05Å; R2505-C2507 VanDerWaalsContact O-SG 3.38Å; R2505-E2528 CarbonylContact C-O 3.49Å; R2505-E2528 WeakPolarHBondContact CA-O 3.35Å; R2505-E2528 HydrophobicContact CB-CB 4.27Å; R2505-E2528 WeakPolarHBondContact CB-O 3.43Å; R2505-E2528 HydrophobicContact CG-CB 4.36Å; R2505-E2528 HydrophobicContact CG-CG 4.43Å; R2505-E2528 IonicContact CZ-OE2 3.24Å; R2505-E2528 IonicContact NE-OE2 2.64Å; R2505-E2528 PolarHBondContact NE-OE2 2.93Å; R2505-E2528 IonicContact NH2-OE2 3.47Å; R2505-E2528 PolarHBondContact NH2-OE2 2.82Å |
| 2506 | G | 98 | Very high | 96.3 | Very high | 1.2 Ų | 1.2 | 23.2 Ų | 23.2 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 64.5 | 15 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I2313 R2405 H2474 E2528 N2529 N2530 | I2313-G2506 VanDerWaalsContact CD1-CA 3.45Å; R2405-G2506 PolarHBondContact NE-O 3.18Å; R2405-G2506 PolarHBondContact NH2-O 3.2Å; R2405-G2506 VanDerWaalsContact NH2-O 3.12Å; H2474-G2506 WeakPolarHBondContact CA-O 3.25Å; G2506-E2528 PolarHBondContact N-O 3.13Å; G2506-N2529 VanDerWaalsContact CA-O 3.26Å; G2506-N2529 WeakPolarHBondContact CA-O 3.26Å; G2506-N2529 PolarHBondContact N-O 3.07Å; G2506-N2530 PolarHBondContact N-OD1 3.22Å |
| 2507 | C | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -82.8 | 158.7 | -178.9 | -60.8 | 0 | 0 | 0 | 0 | 111 | T2475 F2477 V2504 R2505 I2509 N2530 V2531 | T2475-C2507 CarbonylContact O-C 3.56Å; T2475-C2507 WeakPolarHBondContact O-CA 3.28Å; T2475-C2507 WeakPolarHBondContact O-CB 3.34Å; F2477-C2507 HydrophobicContact CE2-CB 4.47Å; V2504-C2507 HydrophobicContact CG1-CB 4.16Å; R2505-C2507 PolarHBondContact O-N 2.89Å; R2505-C2507 VanDerWaalsContact O-N 3.11Å; R2505-C2507 PolarHBondContact O-SG 3.05Å; R2505-C2507 VanDerWaalsContact O-SG 3.38Å; C2507-I2509 HydrophobicContact CB-CD1 4.21Å; C2507-N2530 VanDerWaalsContact CB-OD1 3.28Å; C2507-N2530 WeakPolarHBondContact CB-OD1 3.39Å; C2507-N2530 PolarHBondContact N-OD1 3.11Å; C2507-N2530 CarbonylContact O-C 3.56Å; C2507-N2530 VanDerWaalsContact O-CA 3.26Å; C2507-N2530 WeakPolarHBondContact O-CA 3.27Å; C2507-V2531 PolarHBondContact O-N 2.93Å | ||
| 2508 | S | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134.2 | 165.2 | -177.7 | 0 | 0 | 0 | 0 | 109 | L2403 T2475 E2476 F2477 H2510 V2531 | L2403-S2508 WeakPolarHBondContact CA-OG 3.45Å; L2403-S2508 WeakPolarHBondContact CD2-OG 3.23Å; L2403-S2508 WeakPolarHBondContact O-CB 3.35Å; L2403-S2508 PolarHBondContact O-OG 3.26Å; T2475-S2508 PolarHBondContact O-N 3.07Å; E2476-S2508 CarbonylContact C-O 3.54Å; E2476-S2508 WeakPolarHBondContact CA-O 3.38Å; F2477-S2508 PolarHBondContact N-O 3.1Å; S2508-H2510 PolarHBondContact OG-CD2 2.94Å; S2508-V2531 CarbonylContact C-O 3.55Å; S2508-V2531 VanDerWaalsContact CA-O 3.25Å; S2508-V2531 WeakPolarHBondContact CA-O 3.31Å; S2508-V2531 PolarHBondContact OG-O 3.09Å |
| 2509 | I | 98.7 | Very high | 96.6 | Very high | 0.6 Ų | 0.6 | 18.7 Ų | 18.7 | 0% | 0.003 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 110.6 | 173.9 | -54.7 | 152.6 | 0 | 0 | 0 | 106.9 | F2477 P2490 I2491 C2507 A2516 I2517 N2530 V2531 V2532 Y2533 I2535 | F2477-I2509 HydrophobicContact CB-CB 4.29Å; F2477-I2509 HydrophobicContact CB-CG1 4.03Å; F2477-I2509 HydrophobicContact CB-CG2 4.15Å; F2477-I2509 HydrophobicContact CD2-CG1 3.99Å; F2477-I2509 HydrophobicContact CG-CG1 4.26Å; F2477-I2509 WeakPolarHBondContact O-CA 3.24Å; P2490-I2509 HydrophobicContact CB-CG2 3.9Å; P2490-I2509 HydrophobicContact CG-CG2 4.09Å; I2491-I2509 HydrophobicContact CD1-CD1 3.97Å; C2507-I2509 HydrophobicContact CB-CD1 4.21Å; I2509-A2516 HydrophobicContact CB-CB 4.44Å; I2509-A2516 HydrophobicContact CD1-CB 4.37Å; I2509-A2516 HydrophobicContact CG2-CB 4.03Å; I2509-I2517 HydrophobicContact CD1-CD1 3.79Å; I2509-I2517 HydrophobicContact CD1-CG1 3.66Å; I2509-I2517 VanDerWaalsContact CD1-CG1 3.46Å; I2509-N2530 HydrophobicContact CD1-CB 4.48Å; I2509-V2531 PolarHBondContact N-O 3.15Å; I2509-V2532 HydrophobicContact CB-CG2 4.32Å; I2509-V2532 HydrophobicContact CD1-CG2 4.29Å; I2509-V2532 CarbonylContact O-C 3.54Å; I2509-V2532 VanDerWaalsContact O-CA 3.28Å; I2509-V2532 WeakPolarHBondContact O-CA 3.38Å; I2509-Y2533 PolarHBondContact O-N 2.97Å; I2509-I2535 HydrophobicContact CG2-CD1 4.32Å |
| 2510 | H | 97.4 | Very high | 96.7 | Very high | 4.4 Ų | 4.4 | 18.5 Ų | 18.5 | 2% | 0.02 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 152 | -176.2 | 68.3 | 109.5 | 0 | 0 | 0 | 115 | L2403 E2476 F2477 Y2478 F2479 S2508 Y2533 | L2403-H2510 HydrophobicContact CD2-CB 4.25Å; E2476-H2510 IonicContact OE1-CD2 3.02Å; E2476-H2510 IonicContact OE1-CE1 3.3Å; E2476-H2510 PolarHBondContact OE1-CE1 3.08Å; E2476-H2510 IonicContact OE1-NE2 3.63Å; E2476-H2510 PolarHBondContact OE1-NE2 2.94Å; F2477-H2510 PolarHBondContact O-N 2.87Å; Y2478-H2510 WeakPolarHBondContact CA-O 3.28Å; Y2478-H2510 AromaticContact CD2-CE1 3.26Å; Y2478-H2510 WeakPolarHBondContact CD2-CE1 3.38Å; Y2478-H2510 AromaticContact CD2-ND1 3.53Å; Y2478-H2510 WeakPolarHBondContact CD2-ND1 3.24Å; Y2478-H2510 AromaticContact CD2-NE2 3.79Å; Y2478-H2510 AromaticContact CE2-CE1 3.74Å; Y2478-H2510 AromaticContact CE2-ND1 3.87Å; F2479-H2510 PolarHBondContact N-O 3.06Å; S2508-H2510 PolarHBondContact OG-CD2 2.94Å; H2510-Y2533 WeakPolarHBondContact CA-O 3.35Å; H2510-Y2533 HydrophobicContact CB-CD1 4.05Å; H2510-Y2533 HydrophobicContact CB-CG 4.48Å; H2510-Y2533 WeakPolarHBondContact CB-O 3.38Å |
| 2511 | K | 94.3 | Very high | 97 | Very high | 59 Ų | 59 | 13.2 Ų | 13.2 | 26% | 0.257 | 7% | 0.068 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 55.3 | 65.7 | -171.6 | -94.8 | -174.1 | -173.2 | 164.7 | 0 | 110.9 | E2358 Y2478 F2479 M2480 F2513 Y2533 D2534 | E2358-K2511 IonicContact OE1-NZ 2.84Å; E2358-K2511 VanDerWaalsContact OE2-CE 3.27Å; E2358-K2511 WeakPolarHBondContact OE2-CE 3.18Å; E2358-K2511 IonicContact OE2-NZ 3.59Å; E2358-K2511 PolarHBondContact OE2-NZ 3.23Å; Y2478-K2511 HydrophobicContact CD2-CB 4.3Å; Y2478-K2511 HydrophobicContact CD2-CD 4.42Å; Y2478-K2511 HydrophobicContact CE1-CD 4.49Å; Y2478-K2511 HydrophobicContact CE2-CB 4.1Å; Y2478-K2511 HydrophobicContact CE2-CD 3.61Å; Y2478-K2511 HydrophobicContact CE2-CG 4.22Å; Y2478-K2511 WeakPolarHBondContact OH-CD 3.1Å; Y2478-K2511 PolarHBondContact OH-NZ 3.08Å; Y2478-K2511 VanDerWaalsContact OH-NZ 3.09Å; F2479-K2511 VanDerWaalsContact CA-O 3.26Å; F2479-K2511 WeakPolarHBondContact CA-O 3.28Å; F2479-K2511 HydrophobicContact CD2-CD 4.17Å; F2479-K2511 HydrophobicContact CD2-CG 4.5Å; F2479-K2511 PolarHBondContact N-O 3.13Å; M2480-K2511 PolarHBondContact N-O 2.83Å; K2511-F2513 HydrophobicContact CG-CZ 4.37Å; K2511-Y2533 PolarHBondContact N-O 3.39Å; K2511-Y2533 VanDerWaalsContact N-O 3.11Å; K2511-D2534 WeakPolarHBondContact CA-O 3.29Å; K2511-D2534 HydrophobicContact CG-CB 4.46Å; K2511-D2534 PolarHBondContact N-O 2.81Å |
| 2512 | S | 95.9 | Very high | 97.2 | Very high | 1.4 Ų | 1.4 | 11.3 Ų | 11.3 | 1% | 0.01 | 5% | 0.048 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 131.4 | 177.1 | -173.5 | 0 | 0 | 0 | 0 | 112 | M2480 P2490 N2514 R2515 D2534 I2535 M2536 | M2480-S2512 CarbonylContact O-C 3.53Å; M2480-S2512 VanDerWaalsContact O-CA 3.25Å; M2480-S2512 WeakPolarHBondContact O-CA 3.36Å; M2480-S2512 WeakPolarHBondContact O-CB 3.23Å; M2480-S2512 PolarHBondContact O-OG 3.01Å; P2490-S2512 WeakPolarHBondContact CG-OG 3.25Å; S2512-N2514 WeakPolarHBondContact CB-O 3.22Å; S2512-N2514 PolarHBondContact O-N 2.94Å; S2512-N2514 PolarHBondContact OG-N 3.1Å; S2512-N2514 PolarHBondContact OG-O 2.89Å; S2512-R2515 WeakPolarHBondContact CB-O 3.27Å; S2512-R2515 PolarHBondContact OG-O 3.09Å; S2512-D2534 PolarHBondContact N-O 3.13Å; S2512-D2534 VanDerWaalsContact N-O 3.1Å; S2512-I2535 VanDerWaalsContact CB-CD1 3.49Å; S2512-M2536 PolarHBondContact O-N 3.16Å; S2512-M2536 VanDerWaalsContact O-N 3.1Å |
| 2513 | F | 94.4 | Very high | 97.2 | Very high | 26 Ų | 26 | 11.7 Ų | 11.7 | 11% | 0.114 | 5% | 0.05 | C | C | . | . | S | Bend | trans | -86.4 | 3.4 | 177.5 | -51.7 | -63.2 | 0 | 0 | 0 | 113.8 | E2451 F2479 M2480 G2481 A2483 K2511 M2536 | E2451-F2513 VanDerWaalsContact C-CD2 3.44Å; E2451-F2513 VanDerWaalsContact CA-CG 3.46Å; E2451-F2513 HydrophobicContact CB-CB 3.93Å; E2451-F2513 HydrophobicContact CB-CD1 3.78Å; E2451-F2513 HydrophobicContact CB-CD2 4.43Å; E2451-F2513 HydrophobicContact CB-CE1 4.46Å; E2451-F2513 HydrophobicContact CB-CG 3.81Å; E2451-F2513 HydrophobicContact CG-CD1 3.9Å; E2451-F2513 HydrophobicContact CG-CE1 4.35Å; E2451-F2513 HydrophobicContact CG-CG 4.4Å; E2451-F2513 WeakPolarHBondContact O-CB 3.35Å; F2479-F2513 AromaticContact CD1-CE2 3.92Å; F2479-F2513 HydrophobicContact CD1-CE2 3.94Å; F2479-F2513 AromaticContact CD2-CE2 3.73Å; F2479-F2513 HydrophobicContact CD2-CE2 3.73Å; F2479-F2513 AromaticContact CD2-CZ 3.7Å; F2479-F2513 HydrophobicContact CD2-CZ 3.7Å; F2479-F2513 AromaticContact CE1-CE2 3.76Å; F2479-F2513 HydrophobicContact CE1-CE2 3.76Å; F2479-F2513 HydrophobicContact CE1-CZ 4.39Å; F2479-F2513 AromaticContact CE2-CE2 3.59Å; F2479-F2513 HydrophobicContact CE2-CE2 3.59Å; F2479-F2513 AromaticContact CE2-CZ 3.39Å; F2479-F2513 HydrophobicContact CE2-CZ 3.39Å; F2479-F2513 VanDerWaalsContact CE2-CZ 3.4Å; F2479-F2513 AromaticContact CG-CE2 3.91Å; F2479-F2513 HydrophobicContact CG-CE2 3.91Å; F2479-F2513 HydrophobicContact CG-CZ 4.34Å; F2479-F2513 AromaticContact CZ-CE2 3.58Å; F2479-F2513 HydrophobicContact CZ-CE2 3.58Å; F2479-F2513 AromaticContact CZ-CZ 3.75Å; F2479-F2513 HydrophobicContact CZ-CZ 3.75Å; M2480-F2513 WeakPolarHBondContact O-CD2 3.48Å; M2480-F2513 PolarHBondContact O-N 2.97Å; G2481-F2513 WeakPolarHBondContact O-CD2 3.39Å; A2483-F2513 WeakPolarHBondContact CA-O 3.41Å; A2483-F2513 HydrophobicContact CB-CB 4.42Å; A2483-F2513 PolarHBondContact N-O 3.08Å; K2511-F2513 HydrophobicContact CG-CZ 4.37Å; F2513-M2536 HydrophobicContact CB-SD 4.3Å; F2513-M2536 HydrophobicContact CD1-CE 4.07Å; F2513-M2536 HydrophobicContact CD1-SD 4.23Å |
| 2514 | N | 93.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -145.7 | -179.9 | 173.3 | -156 | -34.8 | 0 | 0 | 0 | 107.2 | Q2482 R2485 Y2489 P2490 S2512 I2535 M2536 L2566 | Q2482-N2514 WeakPolarHBondContact O-CB 3.25Å; Q2482-N2514 PolarHBondContact O-ND2 3.12Å; R2485-N2514 PolarHBondContact O-ND2 2.86Å; Y2489-N2514 HydrophobicContact CD1-CB 4.25Å; Y2489-N2514 VanDerWaalsContact CD1-CG 3.48Å; Y2489-N2514 VanDerWaalsContact CD1-OD1 3.3Å; Y2489-N2514 WeakPolarHBondContact CD1-OD1 3.27Å; Y2489-N2514 WeakPolarHBondContact CE1-ND2 3.31Å; Y2489-N2514 WeakPolarHBondContact CE1-OD1 3.41Å; P2490-N2514 VanDerWaalsContact CD-O 3.26Å; P2490-N2514 WeakPolarHBondContact CD-O 3.3Å; S2512-N2514 WeakPolarHBondContact CB-O 3.22Å; S2512-N2514 PolarHBondContact O-N 2.94Å; S2512-N2514 PolarHBondContact OG-N 3.1Å; S2512-N2514 PolarHBondContact OG-O 2.89Å; N2514-I2535 VanDerWaalsContact O-CG2 3.3Å; N2514-I2535 WeakPolarHBondContact O-CG2 3.33Å; N2514-M2536 CarbonylContact C-O 3.45Å; N2514-M2536 PolarHBondContact O-N 2.91Å; N2514-L2566 HydrophobicContact CB-CD1 4.09Å; N2514-L2566 HydrophobicContact CB-CD2 4.44Å; N2514-L2566 VanDerWaalsContact CG-CD1 3.43Å; N2514-L2566 VanDerWaalsContact CG-CD2 3.47Å; N2514-L2566 WeakPolarHBondContact ND2-CD2 3.25Å; N2514-L2566 WeakPolarHBondContact OD1-CD1 3.38Å; N2514-L2566 WeakPolarHBondContact OD1-CD2 3.3Å |
| 2515 | R | 95.7 | Very high | 97.1 | Very high | 0.8 Ų | 0.8 | 13.9 Ų | 13.9 | 0% | 0.003 | 6% | 0.061 | C | C | . | . | trans | -40.8 | -175.7 | 175.3 | -55.6 | -161.3 | -176.2 | 170.4 | 6.5 | 112.5 | Y2489 P2490 S2512 N2518 I2535 M2536 G2538 F2541 E2543 L2566 D2570 | Y2489-R2515 HydrophobicContact CD1-CB 3.97Å; Y2489-R2515 HydrophobicContact CD1-CG 4.1Å; Y2489-R2515 HydrophobicContact CE1-CB 4.42Å; Y2489-R2515 HydrophobicContact CE1-CG 4.11Å; Y2489-R2515 HydrophobicContact CG-CB 4.28Å; Y2489-R2515 HydrophobicContact CG-CG 4.17Å; Y2489-R2515 PolarHBondContact OH-NH1 3.06Å; P2490-R2515 WeakPolarHBondContact CD-O 3.25Å; P2490-R2515 VanDerWaalsContact CG-O 3.28Å; P2490-R2515 WeakPolarHBondContact CG-O 3.26Å; S2512-R2515 WeakPolarHBondContact CB-O 3.27Å; S2512-R2515 PolarHBondContact OG-O 3.09Å; R2515-N2518 WeakPolarHBondContact CB-OD1 3.31Å; R2515-N2518 VanDerWaalsContact CD-ND2 3.34Å; R2515-N2518 WeakPolarHBondContact CD-ND2 3.26Å; R2515-N2518 VanDerWaalsContact CD-OD1 3.26Å; R2515-N2518 WeakPolarHBondContact CD-OD1 3.36Å; R2515-N2518 WeakPolarHBondContact CG-OD1 3.3Å; R2515-N2518 PolarHBondContact NH1-ND2 3.14Å; R2515-I2535 VanDerWaalsContact C-CG2 3.49Å; R2515-I2535 WeakPolarHBondContact O-CG2 3.25Å; R2515-M2536 PolarHBondContact N-O 3.23Å; R2515-M2536 VanDerWaalsContact N-O 3.16Å; R2515-G2538 WeakPolarHBondContact CA-O 3.15Å; R2515-G2538 WeakPolarHBondContact CB-O 3.27Å; R2515-G2538 VanDerWaalsContact CD-O 3.28Å; R2515-G2538 WeakPolarHBondContact CD-O 3.24Å; R2515-G2538 WeakPolarHBondContact CG-O 3.42Å; R2515-F2541 VanDerWaalsContact CZ-CD2 3.44Å; R2515-F2541 VanDerWaalsContact CZ-CE2 3.42Å; R2515-F2541 VanDerWaalsContact CZ-CZ 3.44Å; R2515-F2541 VanDerWaalsContact NE-CD2 3.33Å; R2515-F2541 VanDerWaalsContact NH1-CG 3.29Å; R2515-F2541 VanDerWaalsContact NH1-CZ 3.34Å; R2515-E2543 IonicContact NH1-OE2 3.26Å; R2515-L2566 HydrophobicContact CG-CD1 4.37Å; R2515-D2570 VanDerWaalsContact CZ-CG 3.49Å; R2515-D2570 IonicContact CZ-OD1 3.38Å; R2515-D2570 IonicContact CZ-OD2 3.58Å; R2515-D2570 IonicContact NE-OD1 3.51Å; R2515-D2570 PolarHBondContact NE-OD1 2.94Å; R2515-D2570 VanDerWaalsContact NE-OD1 3.15Å; R2515-D2570 IonicContact NE-OD2 3.54Å; R2515-D2570 IonicContact NH1-OD1 2.96Å; R2515-D2570 PolarHBondContact NH1-OD1 3.05Å; R2515-D2570 IonicContact NH1-OD2 3.06Å; R2515-D2570 PolarHBondContact NH1-OD2 3.21Å; R2515-D2570 IonicContact NH2-OD1 3.08Å; R2515-D2570 PolarHBondContact NH2-OD1 2.78Å; R2515-D2570 IonicContact NH2-OD2 2.97Å; R2515-D2570 PolarHBondContact NH2-OD2 3.21Å | ||
| 2516 | A | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -110 | -59.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | P2490 I2491 I2509 V2532 I2535 A2539 | P2490-A2516 WeakPolarHBondContact CB-O 3.4Å; I2491-A2516 PolarHBondContact N-O 3.16Å; I2491-A2516 VanDerWaalsContact N-O 3.14Å; I2509-A2516 HydrophobicContact CB-CB 4.44Å; I2509-A2516 HydrophobicContact CD1-CB 4.37Å; I2509-A2516 HydrophobicContact CG2-CB 4.03Å; A2516-V2532 HydrophobicContact CB-CG1 3.66Å; A2516-V2532 HydrophobicContact CB-CG2 4.38Å; A2516-I2535 HydrophobicContact CB-CD1 4.14Å; A2516-I2535 HydrophobicContact CB-CG1 4.24Å; A2516-I2535 HydrophobicContact CB-CG2 4.18Å; A2516-A2539 CarbonylContact C-O 3.53Å; A2516-A2539 WeakPolarHBondContact CA-O 3.38Å; A2516-A2539 HydrophobicContact CB-CB 4.27Å; A2516-A2539 VanDerWaalsContact CB-O 3.32Å; A2516-A2539 WeakPolarHBondContact CB-O 3.3Å; A2516-A2539 PolarHBondContact N-O 3.07Å |
| 2517 | I | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 112.1 | -176.6 | -55.4 | 175.9 | 0 | 0 | 0 | 108.3 | I2491 F2493 V2504 I2509 I2519 I2527 A2539 L2540 F2541 | I2491-I2517 HydrophobicContact CD1-CG1 4.44Å; I2491-I2517 WeakPolarHBondContact O-CA 3.39Å; F2493-I2517 HydrophobicContact CE2-CG2 4.4Å; V2504-I2517 HydrophobicContact CG1-CD1 4.39Å; I2509-I2517 HydrophobicContact CD1-CD1 3.79Å; I2509-I2517 HydrophobicContact CD1-CG1 3.66Å; I2509-I2517 VanDerWaalsContact CD1-CG1 3.46Å; I2517-I2519 HydrophobicContact CG2-CG1 4.46Å; I2517-I2527 HydrophobicContact CD1-CD1 4.5Å; I2517-I2527 HydrophobicContact CD1-CG2 3.81Å; I2517-I2527 HydrophobicContact CG2-CD1 4Å; I2517-A2539 PolarHBondContact N-O 3.22Å; I2517-L2540 CarbonylContact O-C 3.59Å; I2517-L2540 WeakPolarHBondContact O-CA 3.31Å; I2517-F2541 PolarHBondContact O-N 2.79Å |
| 2518 | N | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 130.6 | 174.7 | -78.9 | 59.2 | 0 | 0 | 0 | 110.4 | Y2489 I2491 F2493 R2515 F2541 E2543 | Y2489-N2518 WeakPolarHBondContact CB-OD1 3.33Å; Y2489-N2518 HydrophobicContact CD2-CB 3.34Å; Y2489-N2518 VanDerWaalsContact CD2-ND2 3.32Å; Y2489-N2518 WeakPolarHBondContact CD2-ND2 3.28Å; Y2489-N2518 WeakPolarHBondContact CD2-OD1 3.36Å; Y2489-N2518 HydrophobicContact CE2-CB 3.67Å; Y2489-N2518 WeakPolarHBondContact CE2-ND2 3.33Å; Y2489-N2518 HydrophobicContact CG-CB 4.04Å; Y2489-N2518 VanDerWaalsContact CG-CG 3.46Å; Y2489-N2518 VanDerWaalsContact CG-OD1 3.25Å; Y2489-N2518 PolarHBondContact OH-ND2 2.9Å; I2491-N2518 PolarHBondContact O-N 3.14Å; F2493-N2518 PolarHBondContact N-O 3.05Å; R2515-N2518 WeakPolarHBondContact CB-OD1 3.31Å; R2515-N2518 VanDerWaalsContact CD-ND2 3.34Å; R2515-N2518 WeakPolarHBondContact CD-ND2 3.26Å; R2515-N2518 VanDerWaalsContact CD-OD1 3.26Å; R2515-N2518 WeakPolarHBondContact CD-OD1 3.36Å; R2515-N2518 WeakPolarHBondContact CG-OD1 3.3Å; R2515-N2518 PolarHBondContact NH1-ND2 3.14Å; N2518-F2541 WeakPolarHBondContact CA-O 3.38Å; N2518-E2543 PolarHBondContact ND2-OE2 2.99Å; N2518-E2543 VanDerWaalsContact ND2-OE2 3.17Å |
| 2519 | I | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 110.8 | 172.2 | -54.5 | 177.3 | 0 | 0 | 0 | 105.9 | F2493 I2517 T2522 V2525 I2527 F2541 L2542 E2543 E2547 N2550 | F2493-I2519 HydrophobicContact CD2-CG1 4.21Å; I2517-I2519 HydrophobicContact CG2-CG1 4.46Å; I2519-T2522 HydrophobicContact CG2-CG2 4.35Å; I2519-T2522 VanDerWaalsContact CG2-O 3.27Å; I2519-T2522 WeakPolarHBondContact CG2-O 3.23Å; I2519-V2525 HydrophobicContact CD1-CG2 3.55Å; I2519-V2525 HydrophobicContact CG1-CG2 4.15Å; I2519-V2525 HydrophobicContact CG2-CG2 4.41Å; I2519-I2527 HydrophobicContact CD1-CG1 4.17Å; I2519-F2541 PolarHBondContact N-O 2.96Å; I2519-L2542 HydrophobicContact CB-CD2 3.75Å; I2519-L2542 HydrophobicContact CD1-CD2 3.96Å; I2519-L2542 HydrophobicContact CG1-CD2 4.28Å; I2519-L2542 HydrophobicContact CG2-CD2 4.25Å; I2519-L2542 WeakPolarHBondContact O-CA 3.33Å; I2519-E2543 PolarHBondContact O-N 2.95Å; I2519-E2543 VanDerWaalsContact O-N 3.13Å; I2519-E2547 HydrophobicContact CG2-CB 4.27Å; I2519-E2547 HydrophobicContact CG2-CG 4.12Å; I2519-E2547 WeakPolarHBondContact O-CG 3.35Å; I2519-N2550 HydrophobicContact CD1-CB 4.43Å |
| 2520 | H | 97.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 15.5 Ų | 15.5 | 1% | 0.014 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 113.5 | -175.2 | -176.4 | -171.2 | 0 | 0 | 0 | 109 | H2492 F2493 H2494 L2495 T2522 E2543 D2544 E2547 | H2492-H2520 AromaticContact NE2-ND1 3.88Å; F2493-H2520 WeakPolarHBondContact O-CA 3.28Å; F2493-H2520 VanDerWaalsContact O-CB 3.31Å; F2493-H2520 WeakPolarHBondContact O-CB 3.36Å; F2493-H2520 PolarHBondContact O-N 2.95Å; H2494-H2520 AromaticContact CD2-ND1 3.38Å; H2494-H2520 PolarHBondContact CD2-ND1 3.1Å; H2494-H2520 AromaticContact CE1-CE1 3.83Å; H2494-H2520 AromaticContact CE1-ND1 3.51Å; H2494-H2520 PolarHBondContact CE1-ND1 3.11Å; H2494-H2520 AromaticContact ND1-CE1 3.9Å; H2494-H2520 AromaticContact ND1-CG 3.89Å; H2494-H2520 AromaticContact ND1-ND1 3.2Å; H2494-H2520 PolarHBondContact ND1-ND1 2.86Å; H2494-H2520 AromaticContact NE2-ND1 3.98Å; L2495-H2520 WeakPolarHBondContact CA-O 3.49Å; L2495-H2520 PolarHBondContact N-O 3.09Å; H2520-T2522 PolarHBondContact O-N 3.21Å; H2520-T2522 VanDerWaalsContact O-N 3.09Å; H2520-T2522 PolarHBondContact O-OG1 2.96Å; H2520-E2543 HydrophobicContact CB-CB 3.97Å; H2520-E2543 IonicContact CE1-OE1 3.31Å; H2520-E2543 PolarHBondContact CE1-OE1 3.35Å; H2520-E2543 IonicContact CG-OE2 2.76Å; H2520-E2543 IonicContact ND1-OE1 2.85Å; H2520-E2543 IonicContact ND1-OE2 2.68Å; H2520-E2543 IonicContact NE2-OE1 3.81Å; H2520-D2544 IonicContact CD2-OD1 3.53Å; H2520-D2544 IonicContact CD2-OD2 3.5Å; H2520-D2544 PolarHBondContact CD2-OD2 3.26Å; H2520-D2544 VanDerWaalsContact CD2-OD2 3.31Å; H2520-D2544 IonicContact CE1-OD2 3.48Å; H2520-D2544 IonicContact NE2-OD1 3.65Å; H2520-D2544 PolarHBondContact NE2-OD1 3.08Å; H2520-D2544 IonicContact NE2-OD2 3.19Å; H2520-D2544 PolarHBondContact NE2-OD2 3.12Å; H2520-E2547 WeakPolarHBondContact CA-OE1 3.37Å; H2520-E2547 IonicContact CD2-OE1 3.22Å |
| 2521 | N | 97.2 | Very high | 97.3 | Very high | 19.6 Ų | 19.6 | 15.2 Ų | 15.2 | 11% | 0.105 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 38.9 | 47.3 | -171.9 | -162 | 2.4 | 0 | 0 | 0 | 113.3 | L2495 N2496 G2497 H2523 I2546 E2547 S2610 | L2495-N2521 HydrophobicContact CD2-CB 3.53Å; L2495-N2521 VanDerWaalsContact CD2-CB 3.5Å; N2496-N2521 PolarHBondContact N-O 3.07Å; G2497-N2521 PolarHBondContact N-O 2.81Å; N2521-H2523 PolarHBondContact OD1-CE1 3.1Å; N2521-H2523 PolarHBondContact OD1-NE2 2.97Å; N2521-I2546 HydrophobicContact CB-CG2 4.08Å; N2521-I2546 WeakPolarHBondContact OD1-CG2 3.4Å; N2521-E2547 PolarHBondContact N-OE1 3.01Å; N2521-S2610 VanDerWaalsContact CB-OG 3.28Å; N2521-S2610 WeakPolarHBondContact CB-OG 3.27Å; N2521-S2610 WeakPolarHBondContact ND2-CB 3.36Å; N2521-S2610 PolarHBondContact ND2-OG 3.04Å; N2521-S2610 VanDerWaalsContact ND2-OG 3.12Å |
| 2522 | T | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.6 | 179.4 | -60.5 | 0 | 0 | 0 | 0 | 107.3 | F2493 N2496 G2497 M2499 I2519 H2520 V2525 | F2493-T2522 HydrophobicContact CB-CG2 3.95Å; F2493-T2522 HydrophobicContact CD1-CG2 4.37Å; F2493-T2522 HydrophobicContact CG-CG2 4.4Å; N2496-T2522 HydrophobicContact CB-CG2 4.18Å; N2496-T2522 PolarHBondContact N-OG1 3.05Å; N2496-T2522 PolarHBondContact ND2-OG1 3.12Å; G2497-T2522 CarbonylContact O-C 3.53Å; G2497-T2522 WeakPolarHBondContact O-CA 3.39Å; M2499-T2522 HydrophobicContact CB-CG2 4.06Å; M2499-T2522 HydrophobicContact CG-CG2 3.76Å; M2499-T2522 HydrophobicContact SD-CG2 3.49Å; M2499-T2522 VanDerWaalsContact SD-CG2 3.51Å; M2499-T2522 WeakPolarHBondContact SD-CG2 3.37Å; I2519-T2522 HydrophobicContact CG2-CG2 4.35Å; I2519-T2522 VanDerWaalsContact CG2-O 3.27Å; I2519-T2522 WeakPolarHBondContact CG2-O 3.23Å; H2520-T2522 PolarHBondContact O-N 3.21Å; H2520-T2522 VanDerWaalsContact O-N 3.09Å; H2520-T2522 PolarHBondContact O-OG1 2.96Å; T2522-V2525 HydrophobicContact CG2-CG1 3.8Å; T2522-V2525 HydrophobicContact CG2-CG2 3.63Å |
| 2523 | H | 97.5 | Very high | 97.6 | Very high | 13.6 Ų | 13.6 | 13.7 Ų | 13.7 | 6% | 0.063 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 153.9 | -166.9 | -50.1 | -33.8 | 0 | 0 | 0 | 110.6 | G2497 L2498 M2499 N2521 V2525 I2546 H2548 | G2497-H2523 PolarHBondContact O-N 3.06Å; L2498-H2523 HydrophobicContact CD2-CB 4.12Å; M2499-H2523 PolarHBondContact N-O 3.1Å; N2521-H2523 PolarHBondContact OD1-CE1 3.1Å; N2521-H2523 PolarHBondContact OD1-NE2 2.97Å; H2523-V2525 VanDerWaalsContact C-N 3.28Å; H2523-V2525 PolarHBondContact O-N 3.05Å; H2523-I2546 PolarHBondContact CE1-O 2.99Å; H2523-H2548 VanDerWaalsContact CA-O 3.29Å; H2523-H2548 WeakPolarHBondContact CA-O 3.39Å; H2523-H2548 WeakPolarHBondContact CB-O 3.36Å; H2523-H2548 AromaticContact CD2-CE1 3.3Å; H2523-H2548 PolarHBondContact CD2-CE1 2.79Å; H2523-H2548 AromaticContact CD2-ND1 3.9Å; H2523-H2548 AromaticContact CD2-NE2 3.96Å; H2523-H2548 AromaticContact CE1-CE1 3.66Å; H2523-H2548 AromaticContact CE1-ND1 3.53Å; H2523-H2548 AromaticContact CG-CE1 3.48Å; H2523-H2548 VanDerWaalsContact CG-CE1 3.47Å; H2523-H2548 AromaticContact CG-ND1 3.71Å; H2523-H2548 AromaticContact CG-NE2 3.96Å; H2523-H2548 AromaticContact ND1-CE1 3.7Å; H2523-H2548 PolarHBondContact ND1-N 3.22Å; H2523-H2548 AromaticContact ND1-ND1 3.48Å; H2523-H2548 PolarHBondContact ND1-ND1 3.03Å; H2523-H2548 AromaticContact NE2-CE1 3.41Å; H2523-H2548 PolarHBondContact NE2-CE1 3.09Å; H2523-H2548 AromaticContact NE2-ND1 3.77Å |
| 2524 | E | 97 | Very high | 97.6 | Very high | 73.6 Ų | 73.6 | 13.8 Ų | 13.8 | 34% | 0.344 | 7% | 0.068 | S | C | . | . | S | Bend | trans | 59.4 | 30.6 | 172.5 | -53.9 | -174.1 | 174.3 | 0 | 0 | 115.2 | L2498 N2500 H2548 G2549 N2550 | L2498-E2524 HydrophobicContact CD2-CG 4.2Å; N2500-E2524 HydrophobicContact CB-CB 4.4Å; N2500-E2524 WeakPolarHBondContact CB-OE2 3.23Å; N2500-E2524 PolarHBondContact ND2-OE2 2.94Å; E2524-H2548 PolarHBondContact N-O 3.2Å; E2524-H2548 VanDerWaalsContact N-O 3.14Å; E2524-G2549 WeakPolarHBondContact CA-O 3.33Å; E2524-N2550 PolarHBondContact N-OD1 2.93Å |
| 2525 | V | 97.9 | Very high | 97.8 | Very high | 1.2 Ų | 1.2 | 13.8 Ų | 13.8 | 1% | 0.007 | 7% | 0.068 | C | C | . | . | trans | -86.8 | 143.3 | 173.5 | -164.9 | 0 | 0 | 0 | 0 | 110.9 | F2493 M2499 I2519 T2522 H2523 I2527 N2550 L2551 | F2493-V2525 HydrophobicContact CD1-CG1 4.39Å; F2493-V2525 HydrophobicContact CD1-CG2 4.44Å; F2493-V2525 HydrophobicContact CE1-CG1 4.29Å; F2493-V2525 HydrophobicContact CE1-CG2 4.41Å; F2493-V2525 HydrophobicContact CE2-CG1 4.16Å; F2493-V2525 HydrophobicContact CZ-CG1 3.9Å; M2499-V2525 HydrophobicContact CB-CG1 3.66Å; M2499-V2525 HydrophobicContact CB-CG2 3.78Å; I2519-V2525 HydrophobicContact CD1-CG2 3.55Å; I2519-V2525 HydrophobicContact CG1-CG2 4.15Å; I2519-V2525 HydrophobicContact CG2-CG2 4.41Å; T2522-V2525 HydrophobicContact CG2-CG1 3.8Å; T2522-V2525 HydrophobicContact CG2-CG2 3.63Å; H2523-V2525 VanDerWaalsContact C-N 3.28Å; H2523-V2525 PolarHBondContact O-N 3.05Å; V2525-I2527 HydrophobicContact CG1-CD1 3.84Å; V2525-I2527 HydrophobicContact CG1-CG1 4.46Å; V2525-I2527 HydrophobicContact CG2-CD1 4.35Å; V2525-I2527 HydrophobicContact CG2-CG1 4.45Å; V2525-N2550 HydrophobicContact CG2-CB 4.44Å; V2525-N2550 VanDerWaalsContact CG2-OD1 3.23Å; V2525-N2550 WeakPolarHBondContact CG2-OD1 3.38Å; V2525-N2550 PolarHBondContact N-OD1 2.95Å; V2525-N2550 VanDerWaalsContact N-OD1 3.12Å; V2525-N2550 WeakPolarHBondContact O-CA 3.32Å; V2525-L2551 PolarHBondContact O-N 3.13Å | ||
| 2526 | L | 98.6 | Very high | 97.7 | Very high | 37.8 Ų | 37.8 | 14.7 Ų | 14.7 | 20% | 0.198 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 119.6 | 173.5 | 173.3 | 64.4 | 0 | 0 | 0 | 111.3 | S2502 Y2503 V2504 E2528 L2551 | S2502-L2526 PolarHBondContact O-N 3.09Å; S2502-L2526 VanDerWaalsContact O-N 3.09Å; Y2503-L2526 CarbonylContact C-O 3.53Å; Y2503-L2526 VanDerWaalsContact CA-O 3.24Å; Y2503-L2526 WeakPolarHBondContact CA-O 3.34Å; V2504-L2526 PolarHBondContact N-O 3.17Å; L2526-E2528 HydrophobicContact CD1-CB 3.78Å; L2526-E2528 HydrophobicContact CG-CB 4.05Å; L2526-L2551 HydrophobicContact CD1-CB 4.05Å; L2526-L2551 HydrophobicContact CD1-CD2 3.77Å; L2526-L2551 HydrophobicContact CD1-CG 3.68Å |
| 2527 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 103.5 | 172.9 | -52.1 | -59.2 | 0 | 0 | 0 | 108.5 | F2493 V2504 I2517 I2519 V2525 N2530 L2540 L2551 I2552 Q2553 N2555 | F2493-I2527 HydrophobicContact CE2-CD1 4.4Å; V2504-I2527 HydrophobicContact CB-CD1 3.92Å; V2504-I2527 HydrophobicContact CG2-CD1 4.08Å; V2504-I2527 WeakPolarHBondContact O-CA 3.1Å; I2517-I2527 HydrophobicContact CD1-CD1 4.5Å; I2517-I2527 HydrophobicContact CD1-CG2 3.81Å; I2517-I2527 HydrophobicContact CG2-CD1 4Å; I2519-I2527 HydrophobicContact CD1-CG1 4.17Å; V2525-I2527 HydrophobicContact CG1-CD1 3.84Å; V2525-I2527 HydrophobicContact CG1-CG1 4.46Å; V2525-I2527 HydrophobicContact CG2-CD1 4.35Å; V2525-I2527 HydrophobicContact CG2-CG1 4.45Å; I2527-N2530 WeakPolarHBondContact CG2-ND2 3.26Å; I2527-L2540 HydrophobicContact CB-CD1 4.46Å; I2527-L2540 HydrophobicContact CG2-CD1 4.03Å; I2527-L2551 PolarHBondContact N-O 3.06Å; I2527-I2552 HydrophobicContact CB-CG1 4.39Å; I2527-I2552 WeakPolarHBondContact O-CA 3.32Å; I2527-Q2553 PolarHBondContact O-N 3.2Å; I2527-N2555 PolarHBondContact O-ND2 3.25Å |
| 2528 | E | 98.3 | Very high | 97.3 | Very high | 32.2 Ų | 32.2 | 14.7 Ų | 14.7 | 15% | 0.15 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 140.4 | -167.4 | 174.3 | 173.3 | -113.3 | 0 | 0 | 115.2 | V2504 R2505 G2506 L2526 N2530 Q2553 Y2554 | V2504-E2528 PolarHBondContact O-N 3.08Å; V2504-E2528 VanDerWaalsContact O-N 3.07Å; R2505-E2528 CarbonylContact C-O 3.49Å; R2505-E2528 WeakPolarHBondContact CA-O 3.35Å; R2505-E2528 HydrophobicContact CB-CB 4.27Å; R2505-E2528 WeakPolarHBondContact CB-O 3.43Å; R2505-E2528 HydrophobicContact CG-CB 4.36Å; R2505-E2528 HydrophobicContact CG-CG 4.43Å; R2505-E2528 IonicContact CZ-OE2 3.24Å; R2505-E2528 IonicContact NE-OE2 2.64Å; R2505-E2528 PolarHBondContact NE-OE2 2.93Å; R2505-E2528 IonicContact NH2-OE2 3.47Å; R2505-E2528 PolarHBondContact NH2-OE2 2.82Å; G2506-E2528 PolarHBondContact N-O 3.13Å; L2526-E2528 HydrophobicContact CD1-CB 3.78Å; L2526-E2528 HydrophobicContact CG-CB 4.05Å; E2528-N2530 PolarHBondContact N-ND2 3.19Å; E2528-N2530 PolarHBondContact O-N 2.86Å; E2528-N2530 VanDerWaalsContact O-N 3.08Å; E2528-N2530 PolarHBondContact O-ND2 3.02Å; E2528-N2530 VanDerWaalsContact O-ND2 3.14Å; E2528-Q2553 VanDerWaalsContact CA-O 3.22Å; E2528-Q2553 WeakPolarHBondContact CA-O 3.24Å; E2528-Q2553 HydrophobicContact CB-CG 4.24Å; E2528-Q2553 HydrophobicContact CG-CG 4.1Å; E2528-Q2553 VanDerWaalsContact OE1-CD 3.26Å; E2528-Q2553 WeakPolarHBondContact OE1-CG 3.41Å; E2528-Q2553 PolarHBondContact OE1-NE2 3.06Å; E2528-Y2554 HydrophobicContact CG-CD2 4.49Å |
| 2529 | N | 98.2 | Very high | 97.3 | Very high | 52 Ų | 52 | 14.7 Ų | 14.7 | 28% | 0.278 | 7% | 0.072 | S | C | . | . | S | Bend | trans | 55.9 | 28.7 | 172.6 | -70.6 | 76 | 0 | 0 | 0 | 114.6 | I2313 G2506 Q2553 Y2554 N2555 | I2313-N2529 HydrophobicContact CD1-CB 3.7Å; I2313-N2529 HydrophobicContact CG1-CB 4.37Å; I2313-N2529 VanDerWaalsContact CG2-O 3.27Å; I2313-N2529 WeakPolarHBondContact CG2-O 3.18Å; G2506-N2529 VanDerWaalsContact CA-O 3.26Å; G2506-N2529 WeakPolarHBondContact CA-O 3.26Å; G2506-N2529 PolarHBondContact N-O 3.07Å; N2529-Q2553 PolarHBondContact N-O 2.96Å; N2529-Q2553 VanDerWaalsContact N-O 3.11Å; N2529-Y2554 VanDerWaalsContact CA-O 3.3Å; N2529-Y2554 WeakPolarHBondContact CA-O 3.37Å; N2529-Y2554 VanDerWaalsContact ND2-CB 3.35Å; N2529-Y2554 WeakPolarHBondContact ND2-CB 3.22Å; N2529-Y2554 WeakPolarHBondContact OD1-CB 3.19Å; N2529-N2555 PolarHBondContact N-OD1 3.1Å |
| 2530 | N | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | trans | -89.2 | 147.4 | 179.2 | -56 | -70 | 0 | 0 | 0 | 111.7 | V2504 G2506 C2507 I2509 I2527 E2528 V2532 N2555 L2556 | V2504-N2530 PolarHBondContact O-ND2 2.96Å; G2506-N2530 PolarHBondContact N-OD1 3.22Å; C2507-N2530 VanDerWaalsContact CB-OD1 3.28Å; C2507-N2530 WeakPolarHBondContact CB-OD1 3.39Å; C2507-N2530 PolarHBondContact N-OD1 3.11Å; C2507-N2530 CarbonylContact O-C 3.56Å; C2507-N2530 VanDerWaalsContact O-CA 3.26Å; C2507-N2530 WeakPolarHBondContact O-CA 3.27Å; I2509-N2530 HydrophobicContact CD1-CB 4.48Å; I2527-N2530 WeakPolarHBondContact CG2-ND2 3.26Å; E2528-N2530 PolarHBondContact N-ND2 3.19Å; E2528-N2530 PolarHBondContact O-N 2.86Å; E2528-N2530 VanDerWaalsContact O-N 3.08Å; E2528-N2530 PolarHBondContact O-ND2 3.02Å; E2528-N2530 VanDerWaalsContact O-ND2 3.14Å; N2530-V2532 HydrophobicContact CB-CG2 4.47Å; N2530-N2555 WeakPolarHBondContact CB-OD1 3.33Å; N2530-N2555 PolarHBondContact N-OD1 3.06Å; N2530-N2555 PolarHBondContact ND2-OD1 3.13Å; N2530-N2555 CarbonylContact O-C 3.53Å; N2530-N2555 WeakPolarHBondContact O-CA 3.43Å; N2530-L2556 PolarHBondContact O-N 3.17Å | ||
| 2531 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 115.6 | 170.1 | -178.6 | 0 | 0 | 0 | 0 | 108.4 | I2313 W2314 I2343 L2403 C2507 S2508 I2509 L2556 | I2313-V2531 HydrophobicContact CG2-CG2 3.66Å; W2314-V2531 HydrophobicContact CB-CG2 4.09Å; W2314-V2531 HydrophobicContact CG-CG2 4.48Å; I2343-V2531 HydrophobicContact CG2-CG1 3.75Å; L2403-V2531 HydrophobicContact CD2-CG1 3.86Å; C2507-V2531 PolarHBondContact O-N 2.93Å; S2508-V2531 CarbonylContact C-O 3.55Å; S2508-V2531 VanDerWaalsContact CA-O 3.25Å; S2508-V2531 WeakPolarHBondContact CA-O 3.31Å; S2508-V2531 PolarHBondContact OG-O 3.09Å; I2509-V2531 PolarHBondContact N-O 3.15Å; V2531-L2556 CarbonylContact C-O 3.55Å; V2531-L2556 WeakPolarHBondContact CA-O 3.33Å; V2531-L2556 HydrophobicContact CG1-CD2 4.46Å |
| 2532 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.4 | -176.6 | 176.6 | 0 | 0 | 0 | 0 | 108.8 | I2509 A2516 N2530 I2535 A2539 L2556 F2557 V2558 | I2509-V2532 HydrophobicContact CB-CG2 4.32Å; I2509-V2532 HydrophobicContact CD1-CG2 4.29Å; I2509-V2532 CarbonylContact O-C 3.54Å; I2509-V2532 VanDerWaalsContact O-CA 3.28Å; I2509-V2532 WeakPolarHBondContact O-CA 3.38Å; A2516-V2532 HydrophobicContact CB-CG1 3.66Å; A2516-V2532 HydrophobicContact CB-CG2 4.38Å; N2530-V2532 HydrophobicContact CB-CG2 4.47Å; V2532-I2535 HydrophobicContact CG1-CD1 3.84Å; V2532-I2535 HydrophobicContact CG1-CG1 3.37Å; V2532-A2539 HydrophobicContact CG1-CB 4.28Å; V2532-L2556 PolarHBondContact N-O 2.89Å; V2532-F2557 HydrophobicContact CB-CD1 3.98Å; V2532-F2557 HydrophobicContact CB-CD2 3.93Å; V2532-F2557 HydrophobicContact CB-CE1 4.06Å; V2532-F2557 HydrophobicContact CB-CE2 4Å; V2532-F2557 HydrophobicContact CB-CG 3.91Å; V2532-F2557 HydrophobicContact CB-CZ 4.08Å; V2532-F2557 HydrophobicContact CG1-CD1 3.96Å; V2532-F2557 HydrophobicContact CG1-CE1 3.98Å; V2532-F2557 HydrophobicContact CG1-CG 4.36Å; V2532-F2557 HydrophobicContact CG1-CZ 4.4Å; V2532-F2557 HydrophobicContact CG2-CD1 4.4Å; V2532-F2557 HydrophobicContact CG2-CD2 3.99Å; V2532-F2557 HydrophobicContact CG2-CE1 4.02Å; V2532-F2557 HydrophobicContact CG2-CE2 3.56Å; V2532-F2557 HydrophobicContact CG2-CG 4.39Å; V2532-F2557 HydrophobicContact CG2-CZ 3.58Å; V2532-F2557 CarbonylContact O-C 3.56Å; V2532-F2557 WeakPolarHBondContact O-CA 3.34Å; V2532-V2558 PolarHBondContact O-N 3.05Å |
| 2533 | Y | 97.8 | Very high | 97.3 | Very high | 27.2 Ų | 27.2 | 15.9 Ų | 15.9 | 11% | 0.107 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 139 | -172.5 | 169.5 | -121.9 | 0 | 0 | 0 | 113.1 | I2343 E2358 L2403 I2509 H2510 K2511 I2535 V2558 H2559 | I2343-Y2533 HydrophobicContact CB-CG 4.41Å; I2343-Y2533 HydrophobicContact CD1-CD1 4.26Å; I2343-Y2533 HydrophobicContact CD1-CD2 3.66Å; I2343-Y2533 HydrophobicContact CD1-CE1 4.03Å; I2343-Y2533 HydrophobicContact CD1-CE2 3.39Å; I2343-Y2533 VanDerWaalsContact CD1-CE2 3.42Å; I2343-Y2533 HydrophobicContact CD1-CG 4.1Å; I2343-Y2533 HydrophobicContact CG1-CD1 4.36Å; I2343-Y2533 HydrophobicContact CG1-CD2 3.7Å; I2343-Y2533 HydrophobicContact CG1-CE2 4.01Å; I2343-Y2533 HydrophobicContact CG1-CG 3.91Å; E2358-Y2533 HydrophobicContact CB-CE1 4.25Å; L2403-Y2533 HydrophobicContact CD1-CD1 4.01Å; L2403-Y2533 HydrophobicContact CD1-CE1 4.5Å; L2403-Y2533 HydrophobicContact CD2-CD1 4.46Å; I2509-Y2533 PolarHBondContact O-N 2.97Å; H2510-Y2533 WeakPolarHBondContact CA-O 3.35Å; H2510-Y2533 HydrophobicContact CB-CD1 4.05Å; H2510-Y2533 HydrophobicContact CB-CG 4.48Å; H2510-Y2533 WeakPolarHBondContact CB-O 3.38Å; K2511-Y2533 PolarHBondContact N-O 3.39Å; K2511-Y2533 VanDerWaalsContact N-O 3.11Å; Y2533-I2535 VanDerWaalsContact O-CD1 3.3Å; Y2533-I2535 WeakPolarHBondContact O-CD1 3.29Å; Y2533-V2558 WeakPolarHBondContact CA-O 3.35Å; Y2533-V2558 HydrophobicContact CD2-CB 4.15Å; Y2533-V2558 HydrophobicContact CD2-CG1 4.16Å; Y2533-H2559 HydrophobicContact CD2-CB 4.07Å; Y2533-H2559 HydrophobicContact CE2-CB 3.96Å |
| 2534 | D | 96 | Very high | 97.1 | Very high | 28.6 Ų | 28.6 | 15.5 Ų | 15.5 | 15% | 0.153 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.6 | 67.2 | 174.7 | -167.7 | 36.6 | 0 | 0 | 0 | 113.4 | K2511 S2512 V2558 H2559 K2561 | K2511-D2534 WeakPolarHBondContact CA-O 3.29Å; K2511-D2534 HydrophobicContact CG-CB 4.46Å; K2511-D2534 PolarHBondContact N-O 2.81Å; S2512-D2534 PolarHBondContact N-O 3.13Å; S2512-D2534 VanDerWaalsContact N-O 3.1Å; D2534-V2558 PolarHBondContact N-O 3.03Å; D2534-H2559 WeakPolarHBondContact CA-O 3.34Å; D2534-H2559 IonicContact OD1-CD2 3.08Å; D2534-H2559 PolarHBondContact OD1-CD2 3.35Å; D2534-K2561 VanDerWaalsContact CG-NZ 3.3Å; D2534-K2561 WeakPolarHBondContact OD1-CD 3.39Å; D2534-K2561 VanDerWaalsContact OD1-CE 3.27Å; D2534-K2561 WeakPolarHBondContact OD1-CE 3.4Å; D2534-K2561 IonicContact OD1-NZ 3.46Å; D2534-K2561 PolarHBondContact OD1-NZ 3.07Å; D2534-K2561 IonicContact OD2-NZ 3.31Å; D2534-K2561 PolarHBondContact OD2-NZ 3.14Å |
| 2535 | I | 96.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 128.8 | -172.3 | -53.1 | -58.3 | 0 | 0 | 0 | 111 | I2509 S2512 N2514 R2515 A2516 V2532 Y2533 A2539 H2559 K2561 | I2509-I2535 HydrophobicContact CG2-CD1 4.32Å; S2512-I2535 VanDerWaalsContact CB-CD1 3.49Å; N2514-I2535 VanDerWaalsContact O-CG2 3.3Å; N2514-I2535 WeakPolarHBondContact O-CG2 3.33Å; R2515-I2535 VanDerWaalsContact C-CG2 3.49Å; R2515-I2535 WeakPolarHBondContact O-CG2 3.25Å; A2516-I2535 HydrophobicContact CB-CD1 4.14Å; A2516-I2535 HydrophobicContact CB-CG1 4.24Å; A2516-I2535 HydrophobicContact CB-CG2 4.18Å; V2532-I2535 HydrophobicContact CG1-CD1 3.84Å; V2532-I2535 HydrophobicContact CG1-CG1 3.37Å; Y2533-I2535 VanDerWaalsContact O-CD1 3.3Å; Y2533-I2535 WeakPolarHBondContact O-CD1 3.29Å; I2535-A2539 HydrophobicContact CB-CB 4.27Å; I2535-A2539 HydrophobicContact CG1-CB 4.44Å; I2535-A2539 HydrophobicContact CG2-CB 3.96Å; I2535-H2559 PolarHBondContact N-O 3.15Å; I2535-K2561 WeakPolarHBondContact O-CG 3.23Å; I2535-K2561 PolarHBondContact O-N 2.86Å |
| 2536 | M | 94 | Very high | 97 | Very high | 19.6 Ų | 19.6 | 13.4 Ų | 13.4 | 10% | 0.097 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 123.5 | 173.2 | -69.2 | -178 | 132.8 | 0 | 0 | 111.9 | E2451 S2512 F2513 N2514 R2515 K2561 T2563 | E2451-M2536 HydrophobicContact CG-CE 4.46Å; E2451-M2536 WeakPolarHBondContact OE1-CE 3.35Å; S2512-M2536 PolarHBondContact O-N 3.16Å; S2512-M2536 VanDerWaalsContact O-N 3.1Å; F2513-M2536 HydrophobicContact CB-SD 4.3Å; F2513-M2536 HydrophobicContact CD1-CE 4.07Å; F2513-M2536 HydrophobicContact CD1-SD 4.23Å; N2514-M2536 CarbonylContact C-O 3.45Å; N2514-M2536 PolarHBondContact O-N 2.91Å; R2515-M2536 PolarHBondContact N-O 3.23Å; R2515-M2536 VanDerWaalsContact N-O 3.16Å; M2536-K2561 HydrophobicContact CG-CD 4.35Å; M2536-K2561 VanDerWaalsContact CG-CE 3.42Å; M2536-K2561 HydrophobicContact CG-CG 4.2Å; M2536-T2563 HydrophobicContact CB-CG2 4.12Å; M2536-T2563 WeakPolarHBondContact CE-OG1 3.36Å |
| 2537 | G | 94.1 | Very high | 97 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.057 | C | C | . | . | S | Bend | trans | 80.8 | -171.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A2539 V2560 K2561 D2570 P2573 | G2537-A2539 PolarHBondContact O-N 3.11Å; G2537-V2560 WeakPolarHBondContact O-CG1 3.34Å; G2537-K2561 PolarHBondContact N-O 3.1Å; G2537-D2570 VanDerWaalsContact CA-OD1 3.27Å; G2537-D2570 WeakPolarHBondContact CA-OD1 3.31Å; G2537-P2573 VanDerWaalsContact C-CB 3.44Å |
| 2538 | G | 95 | Very high | 96.9 | Very high | 0.4 Ų | 0.4 | 14.3 Ų | 14.3 | 0% | 0.004 | 7% | 0.07 | C | C | . | . | trans | -63.9 | 120.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R2515 D2570 A2574 | R2515-G2538 WeakPolarHBondContact CA-O 3.15Å; R2515-G2538 WeakPolarHBondContact CB-O 3.27Å; R2515-G2538 VanDerWaalsContact CD-O 3.28Å; R2515-G2538 WeakPolarHBondContact CD-O 3.24Å; R2515-G2538 WeakPolarHBondContact CG-O 3.42Å; G2538-D2570 PolarHBondContact N-OD1 2.96Å; G2538-A2574 CarbonylContact C-O 3.55Å; G2538-A2574 VanDerWaalsContact CA-O 3.28Å; G2538-A2574 WeakPolarHBondContact CA-O 3.29Å | ||
| 2539 | A | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -75 | -58.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | A2516 I2517 V2532 I2535 G2537 F2557 V2560 A2574 | A2516-A2539 CarbonylContact C-O 3.53Å; A2516-A2539 WeakPolarHBondContact CA-O 3.38Å; A2516-A2539 HydrophobicContact CB-CB 4.27Å; A2516-A2539 VanDerWaalsContact CB-O 3.32Å; A2516-A2539 WeakPolarHBondContact CB-O 3.3Å; A2516-A2539 PolarHBondContact N-O 3.07Å; I2517-A2539 PolarHBondContact N-O 3.22Å; V2532-A2539 HydrophobicContact CG1-CB 4.28Å; I2535-A2539 HydrophobicContact CB-CB 4.27Å; I2535-A2539 HydrophobicContact CG1-CB 4.44Å; I2535-A2539 HydrophobicContact CG2-CB 3.96Å; G2537-A2539 PolarHBondContact O-N 3.11Å; A2539-F2557 HydrophobicContact CB-CD1 3.56Å; A2539-F2557 VanDerWaalsContact CB-CD1 3.49Å; A2539-F2557 HydrophobicContact CB-CE1 3.56Å; A2539-V2560 HydrophobicContact CB-CG1 4.18Å; A2539-V2560 HydrophobicContact CB-CG2 3.7Å; A2539-A2574 PolarHBondContact N-O 2.96Å; A2539-A2574 VanDerWaalsContact N-O 3.1Å |
| 2540 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 120.8 | 167.5 | -176.1 | 152.5 | 0 | 0 | 0 | 108.1 | I2517 I2527 L2542 I2552 F2557 A2575 F2576 W2577 I2578 | I2517-L2540 CarbonylContact O-C 3.59Å; I2517-L2540 WeakPolarHBondContact O-CA 3.31Å; I2527-L2540 HydrophobicContact CB-CD1 4.46Å; I2527-L2540 HydrophobicContact CG2-CD1 4.03Å; L2540-L2542 HydrophobicContact CD2-CD2 4.39Å; L2540-I2552 HydrophobicContact CD1-CD1 4.01Å; L2540-I2552 HydrophobicContact CD1-CG1 4.06Å; L2540-I2552 HydrophobicContact CD1-CG2 3.69Å; L2540-I2552 HydrophobicContact CD2-CD1 3.7Å; L2540-F2557 HydrophobicContact CB-CE1 3.72Å; L2540-F2557 HydrophobicContact CB-CZ 3.85Å; L2540-F2557 HydrophobicContact CD1-CZ 4.34Å; L2540-A2575 PolarHBondContact N-O 2.91Å; L2540-F2576 HydrophobicContact CB-CD1 4.13Å; L2540-F2576 HydrophobicContact CD1-CD1 4.17Å; L2540-F2576 HydrophobicContact CD1-CE1 4.26Å; L2540-F2576 HydrophobicContact CD2-CD1 4.48Å; L2540-F2576 HydrophobicContact CG-CD1 4.5Å; L2540-W2577 WeakPolarHBondContact O-CA 3.45Å; L2540-W2577 WeakPolarHBondContact O-CB 3.3Å; L2540-W2577 PolarHBondContact O-N 2.93Å; L2540-I2578 HydrophobicContact CD2-CD1 4.16Å |
| 2541 | F | 97.5 | Very high | 96.9 | Very high | 5.8 Ų | 5.8 | 14.6 Ų | 14.6 | 3% | 0.025 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 113.4 | -167.6 | -156.7 | -82.1 | 0 | 0 | 0 | 112.3 | R2515 I2517 N2518 I2519 E2543 L2567 W2577 | R2515-F2541 VanDerWaalsContact CZ-CD2 3.44Å; R2515-F2541 VanDerWaalsContact CZ-CE2 3.42Å; R2515-F2541 VanDerWaalsContact CZ-CZ 3.44Å; R2515-F2541 VanDerWaalsContact NE-CD2 3.33Å; R2515-F2541 VanDerWaalsContact NH1-CG 3.29Å; R2515-F2541 VanDerWaalsContact NH1-CZ 3.34Å; I2517-F2541 PolarHBondContact O-N 2.79Å; N2518-F2541 WeakPolarHBondContact CA-O 3.38Å; I2519-F2541 PolarHBondContact N-O 2.96Å; F2541-E2543 HydrophobicContact CD1-CB 4.14Å; F2541-E2543 HydrophobicContact CD1-CG 4.41Å; F2541-E2543 HydrophobicContact CE1-CB 4.28Å; F2541-E2543 HydrophobicContact CE1-CG 4.2Å; F2541-L2567 HydrophobicContact CE1-CD1 4.48Å; F2541-L2567 HydrophobicContact CZ-CD1 4.07Å; F2541-W2577 AromaticContact CD1-CD1 3.73Å; F2541-W2577 HydrophobicContact CD1-CG 4.45Å; F2541-W2577 AromaticContact CD1-NE1 3.95Å; F2541-W2577 HydrophobicContact CD2-CB 3.81Å; F2541-W2577 AromaticContact CD2-CD1 3.61Å; F2541-W2577 HydrophobicContact CD2-CD2 4.06Å; F2541-W2577 AromaticContact CD2-CG 3.56Å; F2541-W2577 HydrophobicContact CD2-CG 3.56Å; F2541-W2577 AromaticContact CE1-CD1 3.71Å; F2541-W2577 HydrophobicContact CE1-CG 4.46Å; F2541-W2577 AromaticContact CE1-NE1 3.47Å; F2541-W2577 HydrophobicContact CE2-CB 4.25Å; F2541-W2577 AromaticContact CE2-CD1 3.57Å; F2541-W2577 AromaticContact CE2-CD2 3.57Å; F2541-W2577 HydrophobicContact CE2-CD2 3.57Å; F2541-W2577 AromaticContact CE2-CE2 3.67Å; F2541-W2577 HydrophobicContact CE2-CE3 4.11Å; F2541-W2577 AromaticContact CE2-CG 3.57Å; F2541-W2577 HydrophobicContact CE2-CG 3.57Å; F2541-W2577 HydrophobicContact CE2-CZ2 4.36Å; F2541-W2577 AromaticContact CE2-NE1 3.6Å; F2541-W2577 HydrophobicContact CG-CB 4.32Å; F2541-W2577 AromaticContact CG-CD1 3.68Å; F2541-W2577 HydrophobicContact CG-CG 4.1Å; F2541-W2577 AromaticContact CZ-CD1 3.67Å; F2541-W2577 AromaticContact CZ-CD2 3.96Å; F2541-W2577 HydrophobicContact CZ-CD2 4.02Å; F2541-W2577 AromaticContact CZ-CE2 3.6Å; F2541-W2577 VanDerWaalsContact CZ-CE2 3.49Å; F2541-W2577 HydrophobicContact CZ-CG 4.1Å; F2541-W2577 AromaticContact CZ-CZ2 3.97Å; F2541-W2577 HydrophobicContact CZ-CZ2 4.12Å; F2541-W2577 AromaticContact CZ-NE1 3.31Å; F2541-W2577 VanDerWaalsContact CZ-NE1 3.26Å |
| 2542 | L | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 117.2 | 164.1 | -54.7 | -168.9 | 0 | 0 | 0 | 109.1 | I2519 L2540 E2547 W2577 I2578 T2579 N2583 | I2519-L2542 HydrophobicContact CB-CD2 3.75Å; I2519-L2542 HydrophobicContact CD1-CD2 3.96Å; I2519-L2542 HydrophobicContact CG1-CD2 4.28Å; I2519-L2542 HydrophobicContact CG2-CD2 4.25Å; I2519-L2542 WeakPolarHBondContact O-CA 3.33Å; L2540-L2542 HydrophobicContact CD2-CD2 4.39Å; L2542-E2547 HydrophobicContact CB-CB 4.3Å; L2542-E2547 HydrophobicContact CD1-CB 4.41Å; L2542-E2547 HydrophobicContact CD2-CB 4.17Å; L2542-E2547 HydrophobicContact CG-CB 4.48Å; L2542-W2577 PolarHBondContact N-O 3Å; L2542-W2577 VanDerWaalsContact O-CD1 3.25Å; L2542-W2577 PolarHBondContact O-NE1 3.11Å; L2542-I2578 HydrophobicContact CD1-CD1 4.07Å; L2542-I2578 HydrophobicContact CD1-CG2 4.02Å; L2542-I2578 HydrophobicContact CG-CD1 4.25Å; L2542-T2579 VanDerWaalsContact C-OG1 3.28Å; L2542-T2579 VanDerWaalsContact CB-OG1 3.3Å; L2542-T2579 WeakPolarHBondContact CB-OG1 3.29Å; L2542-T2579 VanDerWaalsContact O-CG2 3.26Å; L2542-T2579 WeakPolarHBondContact O-CG2 3.32Å; L2542-T2579 PolarHBondContact O-OG1 3.27Å; L2542-N2583 VanDerWaalsContact CD1-ND2 3.32Å; L2542-N2583 WeakPolarHBondContact CD1-ND2 3.32Å |
| 2543 | E | 95.5 | Very high | 96.9 | Very high | 42.2 Ų | 42.2 | 15.5 Ų | 15.5 | 20% | 0.197 | 9% | 0.085 | C | C | . | . | trans | -83.1 | -59.4 | -159.8 | -166.5 | 153.5 | 154.1 | 0 | 0 | 114.6 | R2515 N2518 I2519 H2520 F2541 E2547 | R2515-E2543 IonicContact NH1-OE2 3.26Å; N2518-E2543 PolarHBondContact ND2-OE2 2.99Å; N2518-E2543 VanDerWaalsContact ND2-OE2 3.17Å; I2519-E2543 PolarHBondContact O-N 2.95Å; I2519-E2543 VanDerWaalsContact O-N 3.13Å; H2520-E2543 HydrophobicContact CB-CB 3.97Å; H2520-E2543 IonicContact CE1-OE1 3.31Å; H2520-E2543 PolarHBondContact CE1-OE1 3.35Å; H2520-E2543 IonicContact CG-OE2 2.76Å; H2520-E2543 IonicContact ND1-OE1 2.85Å; H2520-E2543 IonicContact ND1-OE2 2.68Å; H2520-E2543 IonicContact NE2-OE1 3.81Å; F2541-E2543 HydrophobicContact CD1-CB 4.14Å; F2541-E2543 HydrophobicContact CD1-CG 4.41Å; F2541-E2543 HydrophobicContact CE1-CB 4.28Å; F2541-E2543 HydrophobicContact CE1-CG 4.2Å; E2543-E2547 PolarHBondContact N-OE1 3.23Å | ||
| 2544 | D | 94.9 | Very high | 96.9 | Very high | 4.8 Ų | 4.8 | 18.7 Ų | 18.7 | 3% | 0.026 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -99.5 | -12.6 | -165.6 | -78.4 | -10 | 0 | 0 | 0 | 114.1 | H2520 I2546 E2547 P2606 S2607 G2608 P2609 S2610 | H2520-D2544 IonicContact CD2-OD1 3.53Å; H2520-D2544 IonicContact CD2-OD2 3.5Å; H2520-D2544 PolarHBondContact CD2-OD2 3.26Å; H2520-D2544 VanDerWaalsContact CD2-OD2 3.31Å; H2520-D2544 IonicContact CE1-OD2 3.48Å; H2520-D2544 IonicContact NE2-OD1 3.65Å; H2520-D2544 PolarHBondContact NE2-OD1 3.08Å; H2520-D2544 IonicContact NE2-OD2 3.19Å; H2520-D2544 PolarHBondContact NE2-OD2 3.12Å; D2544-I2546 HydrophobicContact CB-CG2 4.48Å; D2544-E2547 PolarHBondContact N-OE1 3.07Å; D2544-E2547 PolarHBondContact N-OE2 3.03Å; D2544-P2606 CarbonylContact O-C 3.55Å; D2544-P2606 WeakPolarHBondContact O-CA 3.21Å; D2544-P2606 VanDerWaalsContact O-CB 3.27Å; D2544-P2606 WeakPolarHBondContact O-CB 3.3Å; D2544-S2607 WeakPolarHBondContact CB-O 3.28Å; D2544-S2607 PolarHBondContact O-N 2.87Å; D2544-S2607 VanDerWaalsContact OD2-O 3.11Å; D2544-G2608 WeakPolarHBondContact OD1-CA 3.3Å; D2544-P2609 WeakPolarHBondContact OD2-CD 3.35Å; D2544-S2610 VanDerWaalsContact OD2-CB 3.28Å; D2544-S2610 WeakPolarHBondContact OD2-CB 3.41Å; D2544-S2610 PolarHBondContact OD2-N 3.21Å; D2544-S2610 PolarHBondContact OD2-OG 3.27Å |
| 2545 | G | 95.9 | Very high | 97 | Very high | 0.4 Ų | 0.4 | 17.3 Ų | 17.3 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | S | Bend | trans | 90.1 | 19.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | E2547 T2579 Q2580 P2617 | G2545-E2547 PolarHBondContact N-OE2 2.92Å; G2545-T2579 WeakPolarHBondContact CA-O 3.33Å; G2545-T2579 WeakPolarHBondContact CA-OG1 3.43Å; G2545-T2579 PolarHBondContact N-OG1 2.99Å; G2545-Q2580 WeakPolarHBondContact O-CG 3.31Å; G2545-P2617 WeakPolarHBondContact O-CG 3.35Å |
| 2546 | I | 96.4 | Very high | 97.1 | Very high | 30.2 Ų | 30.2 | 17.3 Ų | 17.3 | 16% | 0.155 | 9% | 0.09 | C | C | . | . | trans | -116.7 | -10.2 | 174.5 | -164.4 | 163.3 | 0 | 0 | 0 | 112.3 | N2521 H2523 D2544 H2548 P2606 T2612 V2615 | N2521-I2546 HydrophobicContact CB-CG2 4.08Å; N2521-I2546 WeakPolarHBondContact OD1-CG2 3.4Å; H2523-I2546 PolarHBondContact CE1-O 2.99Å; D2544-I2546 HydrophobicContact CB-CG2 4.48Å; I2546-H2548 PolarHBondContact O-N 3.09Å; I2546-H2548 PolarHBondContact O-ND1 3.16Å; I2546-P2606 HydrophobicContact CB-CB 4.33Å; I2546-P2606 HydrophobicContact CB-CG 4.15Å; I2546-T2612 HydrophobicContact CD1-CG2 4.33Å; I2546-V2615 HydrophobicContact CD1-CG2 4.1Å; I2546-V2615 HydrophobicContact CG1-CG2 4.44Å | ||
| 2547 | E | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -69.9 | 108.3 | -176.5 | -59.1 | 84.5 | -180 | 0 | 0 | 111.4 | I2519 H2520 N2521 L2542 E2543 D2544 G2545 Q2580 N2583 | I2519-E2547 HydrophobicContact CG2-CB 4.27Å; I2519-E2547 HydrophobicContact CG2-CG 4.12Å; I2519-E2547 WeakPolarHBondContact O-CG 3.35Å; H2520-E2547 WeakPolarHBondContact CA-OE1 3.37Å; H2520-E2547 IonicContact CD2-OE1 3.22Å; N2521-E2547 PolarHBondContact N-OE1 3.01Å; L2542-E2547 HydrophobicContact CB-CB 4.3Å; L2542-E2547 HydrophobicContact CD1-CB 4.41Å; L2542-E2547 HydrophobicContact CD2-CB 4.17Å; L2542-E2547 HydrophobicContact CG-CB 4.48Å; E2543-E2547 PolarHBondContact N-OE1 3.23Å; D2544-E2547 PolarHBondContact N-OE1 3.07Å; D2544-E2547 PolarHBondContact N-OE2 3.03Å; G2545-E2547 PolarHBondContact N-OE2 2.92Å; E2547-Q2580 VanDerWaalsContact O-CB 3.3Å; E2547-Q2580 WeakPolarHBondContact O-CB 3.25Å; E2547-Q2580 WeakPolarHBondContact O-CG 3.29Å; E2547-N2583 PolarHBondContact O-ND2 3.17Å; E2547-N2583 PolarHBondContact O-OD1 3.04Å | ||
| 2548 | H | 97.1 | Very high | 97.6 | Very high | 57.8 Ų | 57.8 | 16.4 Ų | 16.4 | 27% | 0.268 | 9% | 0.085 | S | C | . | . | trans | -130 | 166.1 | -173.4 | 62.2 | -84.2 | 0 | 0 | 0 | 112.3 | H2523 E2524 I2546 N2550 N2582 N2583 | H2523-H2548 VanDerWaalsContact CA-O 3.29Å; H2523-H2548 WeakPolarHBondContact CA-O 3.39Å; H2523-H2548 WeakPolarHBondContact CB-O 3.36Å; H2523-H2548 AromaticContact CD2-CE1 3.3Å; H2523-H2548 PolarHBondContact CD2-CE1 2.79Å; H2523-H2548 AromaticContact CD2-ND1 3.9Å; H2523-H2548 AromaticContact CD2-NE2 3.96Å; H2523-H2548 AromaticContact CE1-CE1 3.66Å; H2523-H2548 AromaticContact CE1-ND1 3.53Å; H2523-H2548 AromaticContact CG-CE1 3.48Å; H2523-H2548 VanDerWaalsContact CG-CE1 3.47Å; H2523-H2548 AromaticContact CG-ND1 3.71Å; H2523-H2548 AromaticContact CG-NE2 3.96Å; H2523-H2548 AromaticContact ND1-CE1 3.7Å; H2523-H2548 PolarHBondContact ND1-N 3.22Å; H2523-H2548 AromaticContact ND1-ND1 3.48Å; H2523-H2548 PolarHBondContact ND1-ND1 3.03Å; H2523-H2548 AromaticContact NE2-CE1 3.41Å; H2523-H2548 PolarHBondContact NE2-CE1 3.09Å; H2523-H2548 AromaticContact NE2-ND1 3.77Å; E2524-H2548 PolarHBondContact N-O 3.2Å; E2524-H2548 VanDerWaalsContact N-O 3.14Å; I2546-H2548 PolarHBondContact O-N 3.09Å; I2546-H2548 PolarHBondContact O-ND1 3.16Å; H2548-N2550 PolarHBondContact O-N 3.29Å; H2548-N2550 VanDerWaalsContact O-N 3.13Å; H2548-N2550 PolarHBondContact O-ND2 2.98Å; H2548-N2582 WeakPolarHBondContact CA-O 3.42Å; H2548-N2582 HydrophobicContact CB-CB 4.47Å; H2548-N2583 WeakPolarHBondContact CA-OD1 3.37Å | ||
| 2549 | G | 97.6 | Very high | 97.6 | Very high | 35.8 Ų | 35.8 | 17.6 Ų | 17.6 | 37% | 0.369 | 9% | 0.091 | S | C | . | . | S | Bend | trans | 70.8 | 3.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E2524 N2582 N2583 | E2524-G2549 WeakPolarHBondContact CA-O 3.33Å; G2549-N2582 PolarHBondContact N-O 3.09Å; G2549-N2583 PolarHBondContact N-OD1 3.12Å |
| 2550 | N | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -70.4 | 142.7 | 179.1 | -55 | -73.1 | 0 | 0 | 0 | 110.5 | I2519 E2524 V2525 H2548 N2583 T2584 | I2519-N2550 HydrophobicContact CD1-CB 4.43Å; E2524-N2550 PolarHBondContact N-OD1 2.93Å; V2525-N2550 HydrophobicContact CG2-CB 4.44Å; V2525-N2550 VanDerWaalsContact CG2-OD1 3.23Å; V2525-N2550 WeakPolarHBondContact CG2-OD1 3.38Å; V2525-N2550 PolarHBondContact N-OD1 2.95Å; V2525-N2550 VanDerWaalsContact N-OD1 3.12Å; V2525-N2550 WeakPolarHBondContact O-CA 3.32Å; H2548-N2550 PolarHBondContact O-N 3.29Å; H2548-N2550 VanDerWaalsContact O-N 3.13Å; H2548-N2550 PolarHBondContact O-ND2 2.98Å; N2550-N2583 VanDerWaalsContact CB-OD1 3.26Å; N2550-N2583 WeakPolarHBondContact CB-OD1 3.37Å; N2550-N2583 PolarHBondContact N-OD1 3.13Å; N2550-N2583 PolarHBondContact ND2-OD1 3.12Å; N2550-T2584 PolarHBondContact O-N 3.19Å | ||
| 2551 | L | 98.5 | Very high | 97.3 | Very high | 53.4 Ų | 53.4 | 20.3 Ų | 20.3 | 28% | 0.28 | 10% | 0.102 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 108.4 | 177.6 | 175.6 | 53.5 | 0 | 0 | 0 | 109.5 | V2525 L2526 I2527 Q2553 T2584 | V2525-L2551 PolarHBondContact O-N 3.13Å; L2526-L2551 HydrophobicContact CD1-CB 4.05Å; L2526-L2551 HydrophobicContact CD1-CD2 3.77Å; L2526-L2551 HydrophobicContact CD1-CG 3.68Å; I2527-L2551 PolarHBondContact N-O 3.06Å; L2551-Q2553 HydrophobicContact CD1-CB 4.39Å; L2551-Q2553 HydrophobicContact CD1-CG 4.14Å; L2551-Q2553 HydrophobicContact CG-CG 4.23Å; L2551-T2584 HydrophobicContact CD1-CG2 3.37Å |
| 2552 | I | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 103.3 | -176.1 | -58 | 161.8 | 0 | 0 | 0 | 108 | I2527 L2540 F2576 I2578 T2584 V2585 K2586 N2588 | I2527-I2552 HydrophobicContact CB-CG1 4.39Å; I2527-I2552 WeakPolarHBondContact O-CA 3.32Å; L2540-I2552 HydrophobicContact CD1-CD1 4.01Å; L2540-I2552 HydrophobicContact CD1-CG1 4.06Å; L2540-I2552 HydrophobicContact CD1-CG2 3.69Å; L2540-I2552 HydrophobicContact CD2-CD1 3.7Å; I2552-F2576 HydrophobicContact CG2-CD1 4.01Å; I2552-F2576 HydrophobicContact CG2-CE1 3.77Å; I2552-I2578 HydrophobicContact CD1-CD1 4.13Å; I2552-T2584 PolarHBondContact N-O 3.04Å; I2552-V2585 HydrophobicContact CB-CG2 4.48Å; I2552-V2585 HydrophobicContact CD1-CG2 4.18Å; I2552-V2585 WeakPolarHBondContact O-CA 3.42Å; I2552-K2586 PolarHBondContact O-N 3Å; I2552-N2588 PolarHBondContact O-ND2 3.11Å |
| 2553 | Q | 98.6 | Very high | 96.5 | Very high | 20.2 Ų | 20.2 | 25.9 Ų | 25.9 | 9% | 0.094 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 151.5 | -174.3 | 63.1 | 177.6 | -4 | 0 | 0 | 117 | I2527 E2528 N2529 L2551 N2555 K2586 N2588 | I2527-Q2553 PolarHBondContact O-N 3.2Å; E2528-Q2553 VanDerWaalsContact CA-O 3.22Å; E2528-Q2553 WeakPolarHBondContact CA-O 3.24Å; E2528-Q2553 HydrophobicContact CB-CG 4.24Å; E2528-Q2553 HydrophobicContact CG-CG 4.1Å; E2528-Q2553 VanDerWaalsContact OE1-CD 3.26Å; E2528-Q2553 WeakPolarHBondContact OE1-CG 3.41Å; E2528-Q2553 PolarHBondContact OE1-NE2 3.06Å; N2529-Q2553 PolarHBondContact N-O 2.96Å; N2529-Q2553 VanDerWaalsContact N-O 3.11Å; L2551-Q2553 HydrophobicContact CD1-CB 4.39Å; L2551-Q2553 HydrophobicContact CD1-CG 4.14Å; L2551-Q2553 HydrophobicContact CG-CG 4.23Å; Q2553-N2555 PolarHBondContact N-ND2 3.18Å; Q2553-N2555 PolarHBondContact O-N 2.95Å; Q2553-N2555 VanDerWaalsContact O-N 3.09Å; Q2553-N2555 PolarHBondContact O-ND2 3.29Å; Q2553-K2586 WeakPolarHBondContact CA-O 3.35Å; Q2553-K2586 HydrophobicContact CB-CG 3.94Å; Q2553-K2586 VanDerWaalsContact CB-O 3.31Å; Q2553-K2586 WeakPolarHBondContact CB-O 3.36Å; Q2553-N2588 VanDerWaalsContact C-OD1 3.3Å; Q2553-N2588 WeakPolarHBondContact CA-OD1 3.31Å |
| 2554 | Y | 98.4 | Very high | 96 | Very high | 92.8 Ų | 92.8 | 28.7 Ų | 28.7 | 36% | 0.364 | 15% | 0.149 | S | C | . | . | S | Bend | trans | 57.2 | 23.5 | 175.3 | -56.9 | -73.8 | 0 | 0 | 0 | 114.7 | W2314 E2528 N2529 K2586 H2587 N2588 | W2314-Y2554 PolarHBondContact NE1-O 3.07Å; E2528-Y2554 HydrophobicContact CG-CD2 4.49Å; N2529-Y2554 VanDerWaalsContact CA-O 3.3Å; N2529-Y2554 WeakPolarHBondContact CA-O 3.37Å; N2529-Y2554 VanDerWaalsContact ND2-CB 3.35Å; N2529-Y2554 WeakPolarHBondContact ND2-CB 3.22Å; N2529-Y2554 WeakPolarHBondContact OD1-CB 3.19Å; Y2554-K2586 PolarHBondContact N-O 3.15Å; Y2554-H2587 VanDerWaalsContact CA-O 3.3Å; Y2554-H2587 WeakPolarHBondContact CA-O 3.26Å; Y2554-H2587 HydrophobicContact CD1-CB 3.39Å; Y2554-H2587 VanDerWaalsContact CD1-CB 3.41Å; Y2554-H2587 AromaticContact CD1-CG 3.96Å; Y2554-H2587 HydrophobicContact CD2-CB 4.45Å; Y2554-H2587 HydrophobicContact CE1-CB 3.43Å; Y2554-H2587 VanDerWaalsContact CE1-CB 3.44Å; Y2554-H2587 AromaticContact CE1-CD2 3.59Å; Y2554-H2587 VanDerWaalsContact CE1-CD2 3.5Å; Y2554-H2587 WeakPolarHBondContact CE1-CD2 3.25Å; Y2554-H2587 AromaticContact CE1-CG 3.5Å; Y2554-H2587 VanDerWaalsContact CE1-CG 3.48Å; Y2554-H2587 HydrophobicContact CE2-CB 4.48Å; Y2554-H2587 AromaticContact CE2-CD2 3.8Å; Y2554-H2587 HydrophobicContact CG-CB 3.96Å; Y2554-H2587 AromaticContact CZ-CD2 3.28Å; Y2554-H2587 AromaticContact CZ-CG 3.73Å; Y2554-H2587 PolarHBondContact N-O 3.1Å; Y2554-H2587 PolarHBondContact OH-CD2 3Å; Y2554-H2587 VanDerWaalsContact OH-CD2 3.23Å; Y2554-N2588 PolarHBondContact N-OD1 2.83Å |
| 2555 | N | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -90.4 | 145.1 | 179.4 | -53.1 | -80.6 | 0 | 0 | 0 | 111.5 | I2527 N2529 N2530 Q2553 F2557 F2576 N2588 V2589 | I2527-N2555 PolarHBondContact O-ND2 3.25Å; N2529-N2555 PolarHBondContact N-OD1 3.1Å; N2530-N2555 WeakPolarHBondContact CB-OD1 3.33Å; N2530-N2555 PolarHBondContact N-OD1 3.06Å; N2530-N2555 PolarHBondContact ND2-OD1 3.13Å; N2530-N2555 CarbonylContact O-C 3.53Å; N2530-N2555 WeakPolarHBondContact O-CA 3.43Å; Q2553-N2555 PolarHBondContact N-ND2 3.18Å; Q2553-N2555 PolarHBondContact O-N 2.95Å; Q2553-N2555 VanDerWaalsContact O-N 3.09Å; Q2553-N2555 PolarHBondContact O-ND2 3.29Å; N2555-F2557 HydrophobicContact CB-CD2 3.82Å; N2555-F2557 HydrophobicContact CB-CE2 3.56Å; N2555-F2576 HydrophobicContact CB-CZ 4.38Å; N2555-N2588 WeakPolarHBondContact CB-OD1 3.31Å; N2555-N2588 PolarHBondContact N-OD1 3.01Å; N2555-N2588 VanDerWaalsContact N-OD1 3.09Å; N2555-N2588 PolarHBondContact ND2-OD1 3.09Å; N2555-N2588 CarbonylContact O-C 3.44Å; N2555-N2588 WeakPolarHBondContact O-CA 3.36Å; N2555-V2589 PolarHBondContact O-N 2.93Å | ||
| 2556 | L | 98.8 | Very high | 95 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 112.9 | 173.6 | 173.5 | 60.8 | 0 | 0 | 0 | 109.1 | W2314 T2345 E2399 N2530 V2531 V2532 V2558 V2589 | W2314-L2556 HydrophobicContact CB-CB 4.42Å; W2314-L2556 HydrophobicContact CB-CD2 3.73Å; W2314-L2556 HydrophobicContact CD2-CB 3.95Å; W2314-L2556 HydrophobicContact CD2-CD2 4.22Å; W2314-L2556 HydrophobicContact CE3-CB 4.44Å; W2314-L2556 HydrophobicContact CE3-CD2 4.31Å; W2314-L2556 HydrophobicContact CG-CB 3.88Å; W2314-L2556 HydrophobicContact CG-CD2 3.99Å; T2345-L2556 HydrophobicContact CG2-CD1 4.09Å; E2399-L2556 HydrophobicContact CB-CD1 3.85Å; E2399-L2556 HydrophobicContact CB-CD2 3.9Å; E2399-L2556 HydrophobicContact CG-CD1 4.08Å; N2530-L2556 PolarHBondContact O-N 3.17Å; V2531-L2556 CarbonylContact C-O 3.55Å; V2531-L2556 WeakPolarHBondContact CA-O 3.33Å; V2531-L2556 HydrophobicContact CG1-CD2 4.46Å; V2532-L2556 PolarHBondContact N-O 2.89Å; L2556-V2558 HydrophobicContact CD1-CG2 3.76Å; L2556-V2558 HydrophobicContact CD2-CG2 4.2Å; L2556-V2558 HydrophobicContact CG-CG2 3.68Å; L2556-V2589 HydrophobicContact CD1-CB 3.8Å; L2556-V2589 HydrophobicContact CD1-CG1 3.8Å |
| 2557 | F | 98.6 | Very high | 94.6 | Very high | 0.4 Ų | 0.4 | 31.9 Ų | 31.9 | 0% | 0.002 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 118.4 | 179.8 | -82.2 | -127.1 | 0 | 0 | 0 | 109.2 | V2532 A2539 L2540 N2555 A2575 F2576 V2589 A2591 | V2532-F2557 HydrophobicContact CB-CD1 3.98Å; V2532-F2557 HydrophobicContact CB-CD2 3.93Å; V2532-F2557 HydrophobicContact CB-CE1 4.06Å; V2532-F2557 HydrophobicContact CB-CE2 4Å; V2532-F2557 HydrophobicContact CB-CG 3.91Å; V2532-F2557 HydrophobicContact CB-CZ 4.08Å; V2532-F2557 HydrophobicContact CG1-CD1 3.96Å; V2532-F2557 HydrophobicContact CG1-CE1 3.98Å; V2532-F2557 HydrophobicContact CG1-CG 4.36Å; V2532-F2557 HydrophobicContact CG1-CZ 4.4Å; V2532-F2557 HydrophobicContact CG2-CD1 4.4Å; V2532-F2557 HydrophobicContact CG2-CD2 3.99Å; V2532-F2557 HydrophobicContact CG2-CE1 4.02Å; V2532-F2557 HydrophobicContact CG2-CE2 3.56Å; V2532-F2557 HydrophobicContact CG2-CG 4.39Å; V2532-F2557 HydrophobicContact CG2-CZ 3.58Å; V2532-F2557 CarbonylContact O-C 3.56Å; V2532-F2557 WeakPolarHBondContact O-CA 3.34Å; A2539-F2557 HydrophobicContact CB-CD1 3.56Å; A2539-F2557 VanDerWaalsContact CB-CD1 3.49Å; A2539-F2557 HydrophobicContact CB-CE1 3.56Å; L2540-F2557 HydrophobicContact CB-CE1 3.72Å; L2540-F2557 HydrophobicContact CB-CZ 3.85Å; L2540-F2557 HydrophobicContact CD1-CZ 4.34Å; N2555-F2557 HydrophobicContact CB-CD2 3.82Å; N2555-F2557 HydrophobicContact CB-CE2 3.56Å; F2557-A2575 HydrophobicContact CB-CB 3.87Å; F2557-A2575 HydrophobicContact CD1-CB 4.09Å; F2557-A2575 WeakPolarHBondContact CD1-O 3.27Å; F2557-A2575 WeakPolarHBondContact CE1-O 3.28Å; F2557-A2575 HydrophobicContact CG-CB 4.38Å; F2557-F2576 HydrophobicContact CB-CE2 4.05Å; F2557-F2576 HydrophobicContact CB-CZ 4.22Å; F2557-F2576 HydrophobicContact CD1-CE1 4.48Å; F2557-F2576 HydrophobicContact CD1-CE2 4.41Å; F2557-F2576 HydrophobicContact CD1-CZ 4.21Å; F2557-F2576 AromaticContact CD2-CE1 3.99Å; F2557-F2576 HydrophobicContact CD2-CE1 4.02Å; F2557-F2576 HydrophobicContact CD2-CE2 4.14Å; F2557-F2576 AromaticContact CD2-CZ 3.43Å; F2557-F2576 HydrophobicContact CD2-CZ 3.43Å; F2557-F2576 VanDerWaalsContact CD2-CZ 3.43Å; F2557-F2576 HydrophobicContact CE1-CE1 4.37Å; F2557-F2576 HydrophobicContact CE1-CZ 4.45Å; F2557-F2576 AromaticContact CE2-CE1 3.88Å; F2557-F2576 HydrophobicContact CE2-CE1 3.88Å; F2557-F2576 AromaticContact CE2-CZ 3.78Å; F2557-F2576 HydrophobicContact CE2-CZ 3.78Å; F2557-F2576 HydrophobicContact CG-CE1 4.37Å; F2557-F2576 AromaticContact CG-CE2 3.95Å; F2557-F2576 HydrophobicContact CG-CE2 3.95Å; F2557-F2576 AromaticContact CG-CZ 3.69Å; F2557-F2576 HydrophobicContact CG-CZ 3.69Å; F2557-F2576 HydrophobicContact CZ-CE1 4.08Å; F2557-F2576 HydrophobicContact CZ-CZ 4.29Å; F2557-V2589 PolarHBondContact N-O 2.71Å; F2557-A2591 PolarHBondContact O-N 3.16Å |
| 2558 | V | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 132.4 | -170.2 | -169.6 | 0 | 0 | 0 | 0 | 110.2 | I2343 T2345 S2356 V2532 Y2533 D2534 L2556 A2591 | I2343-V2558 HydrophobicContact CD1-CG1 4.49Å; I2343-V2558 HydrophobicContact CG1-CB 4.35Å; I2343-V2558 HydrophobicContact CG1-CG1 3.99Å; I2343-V2558 HydrophobicContact CG1-CG2 4.49Å; T2345-V2558 HydrophobicContact CG2-CB 4.47Å; T2345-V2558 HydrophobicContact CG2-CG1 4Å; T2345-V2558 HydrophobicContact CG2-CG2 3.66Å; S2356-V2558 WeakPolarHBondContact OG-CG1 3.41Å; V2532-V2558 PolarHBondContact O-N 3.05Å; Y2533-V2558 WeakPolarHBondContact CA-O 3.35Å; Y2533-V2558 HydrophobicContact CD2-CB 4.15Å; Y2533-V2558 HydrophobicContact CD2-CG1 4.16Å; D2534-V2558 PolarHBondContact N-O 3.03Å; L2556-V2558 HydrophobicContact CD1-CG2 3.76Å; L2556-V2558 HydrophobicContact CD2-CG2 4.2Å; L2556-V2558 HydrophobicContact CG-CG2 3.68Å; V2558-A2591 VanDerWaalsContact CA-O 3.32Å; V2558-A2591 WeakPolarHBondContact CA-O 3.34Å |
| 2559 | H | 96.2 | Very high | 93.7 | Very high | 26.8 Ų | 26.8 | 37.4 Ų | 37.4 | 12% | 0.124 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.7 | 58.2 | 171.2 | -160.8 | 65 | 0 | 0 | 0 | 114.5 | H2353 Y2533 D2534 I2535 K2561 A2591 S2592 | H2353-H2559 PolarHBondContact O-CE1 3.14Å; H2353-H2559 VanDerWaalsContact O-CE1 3.27Å; H2353-H2559 PolarHBondContact O-ND1 3.04Å; Y2533-H2559 HydrophobicContact CD2-CB 4.07Å; Y2533-H2559 HydrophobicContact CE2-CB 3.96Å; D2534-H2559 WeakPolarHBondContact CA-O 3.34Å; D2534-H2559 IonicContact OD1-CD2 3.08Å; D2534-H2559 PolarHBondContact OD1-CD2 3.35Å; I2535-H2559 PolarHBondContact N-O 3.15Å; H2559-K2561 WeakPolarHBondContact NE2-CD 3.45Å; H2559-K2561 PolarHBondContact O-N 3.05Å; H2559-A2591 PolarHBondContact N-O 2.98Å; H2559-S2592 WeakPolarHBondContact CA-O 3.35Å |
| 2560 | V | 96.6 | Very high | 93.4 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 115.8 | 170.7 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | G2537 A2539 P2573 A2575 T2594 | G2537-V2560 WeakPolarHBondContact O-CG1 3.34Å; A2539-V2560 HydrophobicContact CB-CG1 4.18Å; A2539-V2560 HydrophobicContact CB-CG2 3.7Å; V2560-P2573 HydrophobicContact CG1-CB 4.13Å; V2560-P2573 HydrophobicContact CG1-CG 4.27Å; V2560-A2575 HydrophobicContact CG2-CB 3.96Å; V2560-T2594 PolarHBondContact O-N 3.14Å; V2560-T2594 PolarHBondContact O-OG1 2.94Å; V2560-T2594 VanDerWaalsContact O-OG1 3.11Å |
| 2561 | K | 92.2 | Very high | 93 | Very high | 51.8 Ų | 51.8 | 38.5 Ų | 38.5 | 23% | 0.225 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 142.2 | -168 | 50.5 | -175.8 | -168.3 | -165.2 | 0 | 112.2 | D2534 I2535 M2536 G2537 H2559 T2594 | D2534-K2561 VanDerWaalsContact CG-NZ 3.3Å; D2534-K2561 WeakPolarHBondContact OD1-CD 3.39Å; D2534-K2561 VanDerWaalsContact OD1-CE 3.27Å; D2534-K2561 WeakPolarHBondContact OD1-CE 3.4Å; D2534-K2561 IonicContact OD1-NZ 3.46Å; D2534-K2561 PolarHBondContact OD1-NZ 3.07Å; D2534-K2561 IonicContact OD2-NZ 3.31Å; D2534-K2561 PolarHBondContact OD2-NZ 3.14Å; I2535-K2561 WeakPolarHBondContact O-CG 3.23Å; I2535-K2561 PolarHBondContact O-N 2.86Å; M2536-K2561 HydrophobicContact CG-CD 4.35Å; M2536-K2561 VanDerWaalsContact CG-CE 3.42Å; M2536-K2561 HydrophobicContact CG-CG 4.2Å; G2537-K2561 PolarHBondContact N-O 3.1Å; H2559-K2561 WeakPolarHBondContact NE2-CD 3.45Å; H2559-K2561 PolarHBondContact O-N 3.05Å; K2561-T2594 WeakPolarHBondContact CA-OG1 3.21Å; K2561-T2594 HydrophobicContact CB-CG2 4.16Å |
| 2562 | R | 90.7 | Very high | 92.7 | Very high | 110.6 Ų | 110.6 | 37.4 Ų | 37.4 | 42% | 0.417 | 19% | 0.193 | S | C | . | . | trans | -56.2 | 149.3 | 173.2 | 68.8 | 175.3 | -165.6 | 177.9 | -0.6 | 111.7 | F2428 S2429 H2436 D2570 V2571 P2573 T2594 | F2428-R2562 HydrophobicContact CE2-CG 3.92Å; F2428-R2562 HydrophobicContact CZ-CG 4.02Å; S2429-R2562 PolarHBondContact O-NH1 3.38Å; H2436-R2562 PolarHBondContact CE1-NH1 3.01Å; H2436-R2562 PolarHBondContact CE1-NH2 2.76Å; H2436-R2562 PolarHBondContact ND1-NH2 2.99Å; H2436-R2562 PolarHBondContact NE2-NH2 2.94Å; R2562-D2570 WeakPolarHBondContact CA-O 3.31Å; R2562-V2571 VanDerWaalsContact CB-O 3.23Å; R2562-V2571 WeakPolarHBondContact CB-O 3.37Å; R2562-P2573 HydrophobicContact CB-CG 4.42Å; R2562-T2594 PolarHBondContact N-OG1 3.01Å; R2562-T2594 VanDerWaalsContact N-OG1 3.12Å | ||
| 2563 | T | 87.9 | Confident | 92.6 | Very high | 13.8 Ų | 13.8 | 37.5 Ų | 37.5 | 9% | 0.085 | 19% | 0.193 | C | C | . | . | trans | -146 | 145.1 | 169.3 | -177.2 | 0 | 0 | 0 | 0 | 111 | M2536 S2565 L2566 D2570 V2571 | M2536-T2563 HydrophobicContact CB-CG2 4.12Å; M2536-T2563 WeakPolarHBondContact CE-OG1 3.36Å; T2563-S2565 WeakPolarHBondContact OG1-CB 3.28Å; T2563-S2565 PolarHBondContact OG1-N 3.23Å; T2563-S2565 VanDerWaalsContact OG1-N 3.14Å; T2563-S2565 PolarHBondContact OG1-OG 3.11Å; T2563-L2566 HydrophobicContact CG2-CB 4.28Å; T2563-L2566 HydrophobicContact CG2-CD1 3.79Å; T2563-L2566 HydrophobicContact CG2-CG 4.01Å; T2563-D2570 HydrophobicContact CG2-CB 3.85Å; T2563-D2570 PolarHBondContact N-O 2.93Å; T2563-D2570 CarbonylContact O-C 3.54Å; T2563-D2570 VanDerWaalsContact O-C 3.3Å; T2563-D2570 VanDerWaalsContact O-O 3.08Å; T2563-V2571 WeakPolarHBondContact O-CA 3.32Å; T2563-V2571 WeakPolarHBondContact O-CG2 3.22Å; T2563-V2571 PolarHBondContact O-N 3.32Å | ||
| 2564 | S | 84.7 | Confident | 92.5 | Very high | 100.4 Ų | 100.4 | 36.5 Ų | 36.5 | 70% | 0.702 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -96.6 | 5.9 | 169.7 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | L2566 | S2564-L2566 VanDerWaalsContact C-N 3.34Å; S2564-L2566 PolarHBondContact O-N 2.93Å |
| 2565 | S | 83.3 | Confident | 92.5 | Very high | 7.4 Ų | 7.4 | 32.2 Ų | 32.2 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -85.9 | -2 | -176.4 | 69.9 | 0 | 0 | 0 | 0 | 114.3 | Y2484 T2563 | Y2484-S2565 WeakPolarHBondContact CA-O 3.26Å; Y2484-S2565 VanDerWaalsContact CE1-CA 3.43Å; Y2484-S2565 VanDerWaalsContact CE1-CB 3.48Å; Y2484-S2565 VanDerWaalsContact CE2-CB 3.46Å; Y2484-S2565 PolarHBondContact N-O 2.88Å; Y2484-S2565 VanDerWaalsContact N-O 3.1Å; T2563-S2565 WeakPolarHBondContact OG1-CB 3.28Å; T2563-S2565 PolarHBondContact OG1-N 3.23Å; T2563-S2565 VanDerWaalsContact OG1-N 3.14Å; T2563-S2565 PolarHBondContact OG1-OG 3.11Å |
| 2566 | L | 86.3 | Confident | 92.5 | Very high | 27.4 Ų | 27.4 | 32.2 Ų | 32.2 | 14% | 0.143 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -129.8 | -133.3 | -172.1 | -57.3 | 174.4 | 0 | 0 | 0 | 111.4 | L2486 N2514 R2515 T2563 S2564 D2570 | L2486-L2566 HydrophobicContact CD2-CB 4.42Å; L2486-L2566 HydrophobicContact CD2-CD2 4.24Å; N2514-L2566 HydrophobicContact CB-CD1 4.09Å; N2514-L2566 HydrophobicContact CB-CD2 4.44Å; N2514-L2566 VanDerWaalsContact CG-CD1 3.43Å; N2514-L2566 VanDerWaalsContact CG-CD2 3.47Å; N2514-L2566 WeakPolarHBondContact ND2-CD2 3.25Å; N2514-L2566 WeakPolarHBondContact OD1-CD1 3.38Å; N2514-L2566 WeakPolarHBondContact OD1-CD2 3.3Å; R2515-L2566 HydrophobicContact CG-CD1 4.37Å; T2563-L2566 HydrophobicContact CG2-CB 4.28Å; T2563-L2566 HydrophobicContact CG2-CD1 3.79Å; T2563-L2566 HydrophobicContact CG2-CG 4.01Å; S2564-L2566 VanDerWaalsContact C-N 3.34Å; S2564-L2566 PolarHBondContact O-N 2.93Å; L2566-D2570 HydrophobicContact CB-CB 3.87Å; L2566-D2570 VanDerWaalsContact CB-OD2 3.26Å; L2566-D2570 WeakPolarHBondContact CB-OD2 3.17Å; L2566-D2570 HydrophobicContact CD1-CB 4.1Å; L2566-D2570 HydrophobicContact CG-CB 4.49Å |
| 2567 | L | 88.9 | Confident | 92.4 | Very high | 68.2 Ų | 68.2 | 32.3 Ų | 32.3 | 36% | 0.357 | 17% | 0.173 | S | C | . | . | trans | -84.4 | 163.2 | 177.5 | -61.3 | -179.9 | 0 | 0 | 0 | 111 | L2486 F2541 D2569 D2570 | L2486-L2567 HydrophobicContact CD1-CD2 3.77Å; L2486-L2567 HydrophobicContact CD1-CG 4.19Å; L2486-L2567 HydrophobicContact CD2-CD2 4.24Å; L2486-L2567 HydrophobicContact CD2-CG 4.01Å; F2541-L2567 HydrophobicContact CE1-CD1 4.48Å; F2541-L2567 HydrophobicContact CZ-CD1 4.07Å; L2567-D2569 PolarHBondContact O-N 2.92Å; L2567-D2569 VanDerWaalsContact O-N 3.11Å; L2567-D2570 PolarHBondContact N-OD2 3.03Å; L2567-D2570 VanDerWaalsContact N-OD2 3.13Å; L2567-D2570 WeakPolarHBondContact O-CB 3.32Å; L2567-D2570 PolarHBondContact O-N 3.09Å | ||
| 2568 | N | 87.2 | Confident | 92.4 | Very high | 143.8 Ų | 143.8 | 32.3 Ų | 32.3 | 77% | 0.769 | 17% | 0.173 | S | C | * | . | G | 310 helix | trans | -54.9 | -32.1 | 176.2 | -71.4 | -15.3 | 0 | 0 | 0 | 112.6 | D2570 V2571 | N2568-D2570 VanDerWaalsContact C-N 3.28Å; N2568-D2570 PolarHBondContact O-N 3.22Å; N2568-V2571 VanDerWaalsContact O-CB 3.31Å; N2568-V2571 WeakPolarHBondContact O-CB 3.33Å; N2568-V2571 WeakPolarHBondContact O-CG2 3.41Å; N2568-V2571 PolarHBondContact O-N 3.23Å |
| 2569 | D | 88.9 | Confident | 92.3 | Very high | 30.2 Ų | 30.2 | 32.4 Ų | 32.4 | 16% | 0.161 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -68.5 | -26.1 | 177.9 | -60.5 | -60.9 | 0 | 0 | 0 | 113.1 | L2567 V2571 V2572 W2577 W2599 R2601 | L2567-D2569 PolarHBondContact O-N 2.92Å; L2567-D2569 VanDerWaalsContact O-N 3.11Å; D2569-V2571 PolarHBondContact O-N 3.28Å; D2569-V2572 CarbonylContact O-C 3.54Å; D2569-V2572 VanDerWaalsContact O-C 3.24Å; D2569-V2572 WeakPolarHBondContact O-CG2 3Å; D2569-V2572 PolarHBondContact O-N 3.17Å; D2569-W2577 HydrophobicContact CB-CH2 3.43Å; D2569-W2577 VanDerWaalsContact CB-CH2 3.46Å; D2569-W2577 HydrophobicContact CB-CZ2 4.28Å; D2569-W2577 HydrophobicContact CB-CZ3 3.65Å; D2569-W2577 VanDerWaalsContact CG-CH2 3.43Å; D2569-W2577 WeakPolarHBondContact OD1-CH2 3.38Å; D2569-W2599 HydrophobicContact CB-CH2 4.44Å; D2569-W2599 HydrophobicContact CB-CZ3 4.49Å; D2569-R2601 IonicContact OD1-CZ 3.35Å; D2569-R2601 IonicContact OD1-NH1 3.67Å; D2569-R2601 PolarHBondContact OD1-NH1 3.15Å; D2569-R2601 VanDerWaalsContact OD1-NH1 3.11Å; D2569-R2601 IonicContact OD1-NH2 3.14Å; D2569-R2601 IonicContact OD2-CZ 3.09Å; D2569-R2601 IonicContact OD2-NH1 3.51Å; D2569-R2601 PolarHBondContact OD2-NH1 3.07Å; D2569-R2601 IonicContact OD2-NH2 3.42Å |
| 2570 | D | 91.9 | Very high | 92.4 | Very high | 0.2 Ų | 0.2 | 31.5 Ų | 31.5 | 0% | 0.001 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -77.6 | -9.3 | 178.3 | -64.5 | -66.6 | 0 | 0 | 0 | 112.7 | R2515 G2537 G2538 R2562 T2563 L2566 L2567 N2568 V2572 P2573 | R2515-D2570 VanDerWaalsContact CZ-CG 3.49Å; R2515-D2570 IonicContact CZ-OD1 3.38Å; R2515-D2570 IonicContact CZ-OD2 3.58Å; R2515-D2570 IonicContact NE-OD1 3.51Å; R2515-D2570 PolarHBondContact NE-OD1 2.94Å; R2515-D2570 VanDerWaalsContact NE-OD1 3.15Å; R2515-D2570 IonicContact NE-OD2 3.54Å; R2515-D2570 IonicContact NH1-OD1 2.96Å; R2515-D2570 PolarHBondContact NH1-OD1 3.05Å; R2515-D2570 IonicContact NH1-OD2 3.06Å; R2515-D2570 PolarHBondContact NH1-OD2 3.21Å; R2515-D2570 IonicContact NH2-OD1 3.08Å; R2515-D2570 PolarHBondContact NH2-OD1 2.78Å; R2515-D2570 IonicContact NH2-OD2 2.97Å; R2515-D2570 PolarHBondContact NH2-OD2 3.21Å; G2537-D2570 VanDerWaalsContact CA-OD1 3.27Å; G2537-D2570 WeakPolarHBondContact CA-OD1 3.31Å; G2538-D2570 PolarHBondContact N-OD1 2.96Å; R2562-D2570 WeakPolarHBondContact CA-O 3.31Å; T2563-D2570 HydrophobicContact CG2-CB 3.85Å; T2563-D2570 PolarHBondContact N-O 2.93Å; T2563-D2570 CarbonylContact O-C 3.54Å; T2563-D2570 VanDerWaalsContact O-C 3.3Å; T2563-D2570 VanDerWaalsContact O-O 3.08Å; L2566-D2570 HydrophobicContact CB-CB 3.87Å; L2566-D2570 VanDerWaalsContact CB-OD2 3.26Å; L2566-D2570 WeakPolarHBondContact CB-OD2 3.17Å; L2566-D2570 HydrophobicContact CD1-CB 4.1Å; L2566-D2570 HydrophobicContact CG-CB 4.49Å; L2567-D2570 PolarHBondContact N-OD2 3.03Å; L2567-D2570 VanDerWaalsContact N-OD2 3.13Å; L2567-D2570 WeakPolarHBondContact O-CB 3.32Å; L2567-D2570 PolarHBondContact O-N 3.09Å; N2568-D2570 VanDerWaalsContact C-N 3.28Å; N2568-D2570 PolarHBondContact O-N 3.22Å; D2570-V2572 VanDerWaalsContact C-N 3.29Å; D2570-V2572 PolarHBondContact O-N 3.22Å; D2570-P2573 WeakPolarHBondContact O-CD 3.33Å |
| 2571 | V | 90.5 | Very high | 92.4 | Very high | 58 Ų | 58 | 31.3 Ų | 31.3 | 35% | 0.352 | 17% | 0.168 | S | C | . | . | G | 310 helix | trans | -72.6 | -25 | 168.8 | -162.6 | 0 | 0 | 0 | 0 | 111.1 | R2562 T2563 N2568 D2569 H2595 | R2562-V2571 VanDerWaalsContact CB-O 3.23Å; R2562-V2571 WeakPolarHBondContact CB-O 3.37Å; T2563-V2571 WeakPolarHBondContact O-CA 3.32Å; T2563-V2571 WeakPolarHBondContact O-CG2 3.22Å; T2563-V2571 PolarHBondContact O-N 3.32Å; N2568-V2571 VanDerWaalsContact O-CB 3.31Å; N2568-V2571 WeakPolarHBondContact O-CB 3.33Å; N2568-V2571 WeakPolarHBondContact O-CG2 3.41Å; N2568-V2571 PolarHBondContact O-N 3.23Å; D2569-V2571 PolarHBondContact O-N 3.28Å; V2571-H2595 PolarHBondContact O-CE1 3.07Å |
| 2572 | V | 91.9 | Very high | 92.7 | Very high | 30.2 Ų | 30.2 | 32.3 Ų | 32.3 | 18% | 0.183 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -130 | 62 | 178.1 | -69.7 | 0 | 0 | 0 | 0 | 110.4 | Q2432 D2569 D2570 F2596 W2599 W2635 | Q2432-V2572 HydrophobicContact CB-CG1 4.28Å; D2569-V2572 CarbonylContact O-C 3.54Å; D2569-V2572 VanDerWaalsContact O-C 3.24Å; D2569-V2572 WeakPolarHBondContact O-CG2 3Å; D2569-V2572 PolarHBondContact O-N 3.17Å; D2570-V2572 VanDerWaalsContact C-N 3.29Å; D2570-V2572 PolarHBondContact O-N 3.22Å; V2572-F2596 HydrophobicContact CB-CE2 4.06Å; V2572-F2596 HydrophobicContact CG2-CE2 4.41Å; V2572-F2596 VanDerWaalsContact O-CD2 3.29Å; V2572-F2596 WeakPolarHBondContact O-CD2 3.35Å; V2572-F2596 VanDerWaalsContact O-CE2 3.26Å; V2572-F2596 WeakPolarHBondContact O-CE2 3.33Å; V2572-W2599 HydrophobicContact CG2-CH2 4.34Å; V2572-W2599 HydrophobicContact CG2-CZ3 3.99Å; V2572-W2599 WeakPolarHBondContact O-CZ3 3.27Å; V2572-W2635 HydrophobicContact CB-CZ3 4.32Å; V2572-W2635 HydrophobicContact CG1-CH2 4.04Å; V2572-W2635 HydrophobicContact CG1-CZ2 4.36Å; V2572-W2635 HydrophobicContact CG1-CZ3 3.79Å |
| 2573 | P | 95.1 | Very high | 93 | Very high | 1.4 Ų | 1.4 | 27.1 Ų | 27.1 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | trans | -74.7 | 161.9 | -163.6 | 32.6 | -38.5 | 0 | 0 | 0 | 114 | G2537 V2560 R2562 D2570 H2595 F2596 | G2537-P2573 VanDerWaalsContact C-CB 3.44Å; V2560-P2573 HydrophobicContact CG1-CB 4.13Å; V2560-P2573 HydrophobicContact CG1-CG 4.27Å; R2562-P2573 HydrophobicContact CB-CG 4.42Å; D2570-P2573 WeakPolarHBondContact O-CD 3.33Å; P2573-H2595 WeakPolarHBondContact O-CB 3.32Å; P2573-F2596 PolarHBondContact O-N 3.16Å; P2573-F2596 VanDerWaalsContact O-N 3.1Å | ||
| 2574 | A | 97.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 149.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | G2538 A2539 F2576 W2577 F2596 W2599 | G2538-A2574 CarbonylContact C-O 3.55Å; G2538-A2574 VanDerWaalsContact CA-O 3.28Å; G2538-A2574 WeakPolarHBondContact CA-O 3.29Å; A2539-A2574 PolarHBondContact N-O 2.96Å; A2539-A2574 VanDerWaalsContact N-O 3.1Å; A2574-F2576 VanDerWaalsContact C-N 3.31Å; A2574-W2577 HydrophobicContact CB-CE3 4.33Å; A2574-F2596 VanDerWaalsContact CA-O 3.31Å; A2574-F2596 WeakPolarHBondContact CA-O 3.29Å; A2574-F2596 HydrophobicContact CB-CB 3.87Å; A2574-W2599 HydrophobicContact CB-CB 3.61Å |
| 2575 | A | 98.4 | Very high | 94.2 | Very high | 2.2 Ų | 2.2 | 23.2 Ų | 23.2 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | -42.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L2540 F2557 V2560 A2590 F2596 G2597 | L2540-A2575 PolarHBondContact N-O 2.91Å; F2557-A2575 HydrophobicContact CB-CB 3.87Å; F2557-A2575 HydrophobicContact CD1-CB 4.09Å; F2557-A2575 WeakPolarHBondContact CD1-O 3.27Å; F2557-A2575 WeakPolarHBondContact CE1-O 3.28Å; F2557-A2575 HydrophobicContact CG-CB 4.38Å; V2560-A2575 HydrophobicContact CG2-CB 3.96Å; A2575-A2590 HydrophobicContact CB-CB 3.83Å; A2575-F2596 PolarHBondContact N-O 3.03Å; A2575-F2596 VanDerWaalsContact N-O 3.09Å; A2575-G2597 WeakPolarHBondContact CB-O 3.34Å; A2575-G2597 PolarHBondContact N-O 3.06Å |
| 2576 | F | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 107 | 175.5 | -60.9 | -88.6 | 0 | 0 | 0 | 110.2 | L2540 I2552 N2555 F2557 A2574 N2588 A2590 G2597 F2598 W2599 | L2540-F2576 HydrophobicContact CB-CD1 4.13Å; L2540-F2576 HydrophobicContact CD1-CD1 4.17Å; L2540-F2576 HydrophobicContact CD1-CE1 4.26Å; L2540-F2576 HydrophobicContact CD2-CD1 4.48Å; L2540-F2576 HydrophobicContact CG-CD1 4.5Å; I2552-F2576 HydrophobicContact CG2-CD1 4.01Å; I2552-F2576 HydrophobicContact CG2-CE1 3.77Å; N2555-F2576 HydrophobicContact CB-CZ 4.38Å; F2557-F2576 HydrophobicContact CB-CE2 4.05Å; F2557-F2576 HydrophobicContact CB-CZ 4.22Å; F2557-F2576 HydrophobicContact CD1-CE1 4.48Å; F2557-F2576 HydrophobicContact CD1-CE2 4.41Å; F2557-F2576 HydrophobicContact CD1-CZ 4.21Å; F2557-F2576 AromaticContact CD2-CE1 3.99Å; F2557-F2576 HydrophobicContact CD2-CE1 4.02Å; F2557-F2576 HydrophobicContact CD2-CE2 4.14Å; F2557-F2576 AromaticContact CD2-CZ 3.43Å; F2557-F2576 HydrophobicContact CD2-CZ 3.43Å; F2557-F2576 VanDerWaalsContact CD2-CZ 3.43Å; F2557-F2576 HydrophobicContact CE1-CE1 4.37Å; F2557-F2576 HydrophobicContact CE1-CZ 4.45Å; F2557-F2576 AromaticContact CE2-CE1 3.88Å; F2557-F2576 HydrophobicContact CE2-CE1 3.88Å; F2557-F2576 AromaticContact CE2-CZ 3.78Å; F2557-F2576 HydrophobicContact CE2-CZ 3.78Å; F2557-F2576 HydrophobicContact CG-CE1 4.37Å; F2557-F2576 AromaticContact CG-CE2 3.95Å; F2557-F2576 HydrophobicContact CG-CE2 3.95Å; F2557-F2576 AromaticContact CG-CZ 3.69Å; F2557-F2576 HydrophobicContact CG-CZ 3.69Å; F2557-F2576 HydrophobicContact CZ-CE1 4.08Å; F2557-F2576 HydrophobicContact CZ-CZ 4.29Å; A2574-F2576 VanDerWaalsContact C-N 3.31Å; F2576-N2588 HydrophobicContact CE1-CB 4.16Å; F2576-N2588 HydrophobicContact CE2-CB 3.99Å; F2576-N2588 HydrophobicContact CZ-CB 3.59Å; F2576-A2590 HydrophobicContact CD2-CB 4.24Å; F2576-A2590 HydrophobicContact CE2-CB 4.11Å; F2576-G2597 PolarHBondContact N-O 3.2Å; F2576-F2598 HydrophobicContact CB-CD1 3.5Å; F2576-F2598 VanDerWaalsContact CB-CD1 3.49Å; F2576-F2598 HydrophobicContact CB-CE1 3.89Å; F2576-F2598 HydrophobicContact CB-CG 4.35Å; F2576-F2598 HydrophobicContact CD1-CE1 4.32Å; F2576-F2598 AromaticContact CD2-CD1 3.67Å; F2576-F2598 HydrophobicContact CD2-CD1 3.67Å; F2576-F2598 AromaticContact CD2-CE1 3.24Å; F2576-F2598 HydrophobicContact CD2-CE1 3.24Å; F2576-F2598 HydrophobicContact CD2-CE2 4.45Å; F2576-F2598 HydrophobicContact CD2-CG 4.43Å; F2576-F2598 AromaticContact CD2-CZ 3.69Å; F2576-F2598 HydrophobicContact CD2-CZ 3.69Å; F2576-F2598 AromaticContact CE2-CE1 3.81Å; F2576-F2598 HydrophobicContact CE2-CE1 3.81Å; F2576-F2598 AromaticContact CE2-CZ 3.92Å; F2576-F2598 HydrophobicContact CE2-CZ 3.92Å; F2576-F2598 AromaticContact CG-CD1 3.74Å; F2576-F2598 HydrophobicContact CG-CD1 3.74Å; F2576-F2598 AromaticContact CG-CE1 3.55Å; F2576-F2598 HydrophobicContact CG-CE1 3.55Å; F2576-F2598 HydrophobicContact CG-CZ 4.43Å; F2576-F2598 WeakPolarHBondContact O-CA 3.34Å; F2576-W2599 PolarHBondContact O-N 3.07Å |
| 2577 | W | 97.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 109.7 | 177.8 | 175.8 | -81.3 | 0 | 0 | 0 | 110.5 | L2540 F2541 L2542 D2569 A2574 T2579 W2599 R2601 | L2540-W2577 WeakPolarHBondContact O-CA 3.45Å; L2540-W2577 WeakPolarHBondContact O-CB 3.3Å; L2540-W2577 PolarHBondContact O-N 2.93Å; F2541-W2577 AromaticContact CD1-CD1 3.73Å; F2541-W2577 HydrophobicContact CD1-CG 4.45Å; F2541-W2577 AromaticContact CD1-NE1 3.95Å; F2541-W2577 HydrophobicContact CD2-CB 3.81Å; F2541-W2577 AromaticContact CD2-CD1 3.61Å; F2541-W2577 HydrophobicContact CD2-CD2 4.06Å; F2541-W2577 AromaticContact CD2-CG 3.56Å; F2541-W2577 HydrophobicContact CD2-CG 3.56Å; F2541-W2577 AromaticContact CE1-CD1 3.71Å; F2541-W2577 HydrophobicContact CE1-CG 4.46Å; F2541-W2577 AromaticContact CE1-NE1 3.47Å; F2541-W2577 HydrophobicContact CE2-CB 4.25Å; F2541-W2577 AromaticContact CE2-CD1 3.57Å; F2541-W2577 AromaticContact CE2-CD2 3.57Å; F2541-W2577 HydrophobicContact CE2-CD2 3.57Å; F2541-W2577 AromaticContact CE2-CE2 3.67Å; F2541-W2577 HydrophobicContact CE2-CE3 4.11Å; F2541-W2577 AromaticContact CE2-CG 3.57Å; F2541-W2577 HydrophobicContact CE2-CG 3.57Å; F2541-W2577 HydrophobicContact CE2-CZ2 4.36Å; F2541-W2577 AromaticContact CE2-NE1 3.6Å; F2541-W2577 HydrophobicContact CG-CB 4.32Å; F2541-W2577 AromaticContact CG-CD1 3.68Å; F2541-W2577 HydrophobicContact CG-CG 4.1Å; F2541-W2577 AromaticContact CZ-CD1 3.67Å; F2541-W2577 AromaticContact CZ-CD2 3.96Å; F2541-W2577 HydrophobicContact CZ-CD2 4.02Å; F2541-W2577 AromaticContact CZ-CE2 3.6Å; F2541-W2577 VanDerWaalsContact CZ-CE2 3.49Å; F2541-W2577 HydrophobicContact CZ-CG 4.1Å; F2541-W2577 AromaticContact CZ-CZ2 3.97Å; F2541-W2577 HydrophobicContact CZ-CZ2 4.12Å; F2541-W2577 AromaticContact CZ-NE1 3.31Å; F2541-W2577 VanDerWaalsContact CZ-NE1 3.26Å; L2542-W2577 PolarHBondContact N-O 3Å; L2542-W2577 VanDerWaalsContact O-CD1 3.25Å; L2542-W2577 PolarHBondContact O-NE1 3.11Å; D2569-W2577 HydrophobicContact CB-CH2 3.43Å; D2569-W2577 VanDerWaalsContact CB-CH2 3.46Å; D2569-W2577 HydrophobicContact CB-CZ2 4.28Å; D2569-W2577 HydrophobicContact CB-CZ3 3.65Å; D2569-W2577 VanDerWaalsContact CG-CH2 3.43Å; D2569-W2577 WeakPolarHBondContact OD1-CH2 3.38Å; A2574-W2577 HydrophobicContact CB-CE3 4.33Å; W2577-T2579 HydrophobicContact CZ2-CG2 4.27Å; W2577-W2599 HydrophobicContact CE3-CB 4.45Å; W2577-W2599 AromaticContact CE3-CD2 3.87Å; W2577-W2599 HydrophobicContact CE3-CD2 3.91Å; W2577-W2599 AromaticContact CE3-CE3 3.57Å; W2577-W2599 HydrophobicContact CE3-CE3 3.57Å; W2577-W2599 HydrophobicContact CE3-CG 4.36Å; W2577-W2599 AromaticContact CE3-CZ3 3.98Å; W2577-W2599 HydrophobicContact CE3-CZ3 4.02Å; W2577-W2599 HydrophobicContact CH2-CD2 4.16Å; W2577-W2599 AromaticContact CH2-CE3 3.71Å; W2577-W2599 HydrophobicContact CH2-CE3 3.99Å; W2577-W2599 AromaticContact CH2-CH2 3.62Å; W2577-W2599 HydrophobicContact CH2-CH2 3.62Å; W2577-W2599 VanDerWaalsContact CH2-CH2 3.48Å; W2577-W2599 AromaticContact CH2-CZ2 3.83Å; W2577-W2599 HydrophobicContact CH2-CZ2 3.83Å; W2577-W2599 AromaticContact CH2-CZ3 3.76Å; W2577-W2599 HydrophobicContact CH2-CZ3 3.76Å; W2577-W2599 VanDerWaalsContact CH2-CZ3 3.47Å; W2577-W2599 AromaticContact CZ3-CD2 3.57Å; W2577-W2599 HydrophobicContact CZ3-CD2 3.57Å; W2577-W2599 VanDerWaalsContact CZ3-CD2 3.49Å; W2577-W2599 AromaticContact CZ3-CE2 3.93Å; W2577-W2599 AromaticContact CZ3-CE3 3.1Å; W2577-W2599 HydrophobicContact CZ3-CE3 3.1Å; W2577-W2599 HydrophobicContact CZ3-CG 4.43Å; W2577-W2599 AromaticContact CZ3-CH2 3.49Å; W2577-W2599 HydrophobicContact CZ3-CH2 3.49Å; W2577-W2599 VanDerWaalsContact CZ3-CH2 3.46Å; W2577-W2599 AromaticContact CZ3-CZ2 3.88Å; W2577-W2599 HydrophobicContact CZ3-CZ2 3.94Å; W2577-W2599 AromaticContact CZ3-CZ3 3.1Å; W2577-W2599 HydrophobicContact CZ3-CZ3 3.1Å; W2577-R2601 HydrophobicContact CH2-CB 4.43Å; W2577-R2601 VanDerWaalsContact CH2-CD 3.43Å; W2577-R2601 HydrophobicContact CH2-CG 4.48Å; W2577-R2601 HydrophobicContact CZ2-CB 4.18Å; W2577-R2601 HydrophobicContact CZ2-CG 4.35Å; W2577-R2601 VanDerWaalsContact CZ2-NH1 3.3Å |
| 2578 | I | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 105.3 | -170.2 | -51.4 | -60.3 | 0 | 0 | 0 | 109.5 | L2540 L2542 I2552 Q2580 V2585 W2599 Y2600 R2601 M2602 | L2540-I2578 HydrophobicContact CD2-CD1 4.16Å; L2542-I2578 HydrophobicContact CD1-CD1 4.07Å; L2542-I2578 HydrophobicContact CD1-CG2 4.02Å; L2542-I2578 HydrophobicContact CG-CD1 4.25Å; I2552-I2578 HydrophobicContact CD1-CD1 4.13Å; I2578-Q2580 VanDerWaalsContact CG2-O 3.23Å; I2578-Q2580 WeakPolarHBondContact CG2-O 3.34Å; I2578-V2585 HydrophobicContact CD1-CG2 4.07Å; I2578-V2585 HydrophobicContact CG1-CG2 4.4Å; I2578-W2599 PolarHBondContact N-O 3.1Å; I2578-Y2600 HydrophobicContact CB-CD1 4.25Å; I2578-Y2600 HydrophobicContact CB-CD2 4.14Å; I2578-Y2600 HydrophobicContact CB-CE1 4.18Å; I2578-Y2600 HydrophobicContact CB-CE2 4.08Å; I2578-Y2600 HydrophobicContact CB-CG 4.21Å; I2578-Y2600 HydrophobicContact CG1-CD2 4.33Å; I2578-Y2600 HydrophobicContact CG1-CE2 3.92Å; I2578-Y2600 HydrophobicContact CG2-CD1 3.95Å; I2578-Y2600 HydrophobicContact CG2-CE1 3.63Å; I2578-Y2600 HydrophobicContact CG2-CE2 4.35Å; I2578-Y2600 HydrophobicContact CG2-CG 4.42Å; I2578-Y2600 CarbonylContact O-C 3.53Å; I2578-Y2600 VanDerWaalsContact O-CA 3.28Å; I2578-Y2600 WeakPolarHBondContact O-CA 3.37Å; I2578-R2601 PolarHBondContact O-N 3.08Å; I2578-M2602 HydrophobicContact CG2-CE 4.34Å; I2578-M2602 VanDerWaalsContact O-CE 3.23Å; I2578-M2602 WeakPolarHBondContact O-CE 3.21Å |
| 2579 | T | 96.8 | Very high | 96.5 | Very high | 2.8 Ų | 2.8 | 16.1 Ų | 16.1 | 2% | 0.017 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -95.2 | -6.6 | -179.3 | 48.3 | 0 | 0 | 0 | 0 | 114.2 | L2542 G2545 W2577 R2601 | L2542-T2579 VanDerWaalsContact C-OG1 3.28Å; L2542-T2579 VanDerWaalsContact CB-OG1 3.3Å; L2542-T2579 WeakPolarHBondContact CB-OG1 3.29Å; L2542-T2579 VanDerWaalsContact O-CG2 3.26Å; L2542-T2579 WeakPolarHBondContact O-CG2 3.32Å; L2542-T2579 PolarHBondContact O-OG1 3.27Å; G2545-T2579 WeakPolarHBondContact CA-O 3.33Å; G2545-T2579 WeakPolarHBondContact CA-OG1 3.43Å; G2545-T2579 PolarHBondContact N-OG1 2.99Å; W2577-T2579 HydrophobicContact CZ2-CG2 4.27Å; T2579-R2601 VanDerWaalsContact CA-O 3.3Å; T2579-R2601 WeakPolarHBondContact CA-O 3.37Å; T2579-R2601 HydrophobicContact CG2-CB 4.43Å |
| 2580 | Q | 96.7 | Very high | 97 | Very high | 7.2 Ų | 7.2 | 14.7 Ų | 14.7 | 3% | 0.034 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -135.6 | 123.8 | 179.3 | -147.5 | -67.7 | 2.6 | 0 | 0 | 108.6 | G2545 E2547 I2578 N2582 N2583 I2620 | G2545-Q2580 WeakPolarHBondContact O-CG 3.31Å; E2547-Q2580 VanDerWaalsContact O-CB 3.3Å; E2547-Q2580 WeakPolarHBondContact O-CB 3.25Å; E2547-Q2580 WeakPolarHBondContact O-CG 3.29Å; I2578-Q2580 VanDerWaalsContact CG2-O 3.23Å; I2578-Q2580 WeakPolarHBondContact CG2-O 3.34Å; Q2580-N2582 PolarHBondContact O-N 3.34Å; Q2580-N2582 VanDerWaalsContact OE1-CB 3.26Å; Q2580-N2583 PolarHBondContact O-ND2 2.81Å; Q2580-I2620 HydrophobicContact CG-CD1 4.41Å |
| 2581 | P | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -78.9 | -20.4 | -168 | 33.4 | -35.3 | 0 | 0 | 0 | 114.3 | N2583 M2602 I2620 L2622 G2623 F2644 | P2581-N2583 PolarHBondContact O-N 3.02Å; P2581-M2602 HydrophobicContact CB-CE 3.85Å; P2581-M2602 HydrophobicContact CB-SD 4.12Å; P2581-M2602 WeakPolarHBondContact CD-SD 3.35Å; P2581-M2602 HydrophobicContact CG-CE 4.39Å; P2581-M2602 HydrophobicContact CG-CG 4.3Å; P2581-M2602 HydrophobicContact CG-SD 4.08Å; P2581-I2620 HydrophobicContact CG-CB 3.81Å; P2581-I2620 HydrophobicContact CG-CG2 3.97Å; P2581-I2620 WeakPolarHBondContact CG-O 3.33Å; P2581-L2622 HydrophobicContact CB-CD1 3.93Å; P2581-G2623 PolarHBondContact O-N 3.05Å; P2581-F2644 HydrophobicContact CB-CE1 4.45Å; P2581-F2644 HydrophobicContact CB-CE2 3.99Å; P2581-F2644 HydrophobicContact CB-CZ 3.67Å; P2581-F2644 HydrophobicContact CG-CE2 3.84Å; P2581-F2644 HydrophobicContact CG-CZ 4Å |
| 2582 | N | 97.6 | Very high | 97.5 | Very high | 72.2 Ų | 72.2 | 12 Ų | 12 | 39% | 0.386 | 6% | 0.063 | S | C | . | . | trans | -78.7 | 59.2 | 178.2 | -171.9 | 22.7 | 0 | 0 | 0 | 112.2 | H2548 G2549 Q2580 I2620 | H2548-N2582 WeakPolarHBondContact CA-O 3.42Å; H2548-N2582 HydrophobicContact CB-CB 4.47Å; G2549-N2582 PolarHBondContact N-O 3.09Å; Q2580-N2582 PolarHBondContact O-N 3.34Å; Q2580-N2582 VanDerWaalsContact OE1-CB 3.26Å; N2582-I2620 HydrophobicContact CB-CG2 3.76Å | ||
| 2583 | N | 98.5 | Very high | 97.6 | Very high | 1.2 Ų | 1.2 | 10.7 Ų | 10.7 | 1% | 0.006 | 6% | 0.055 | C | C | . | . | S | Bend | trans | -131.2 | 159.6 | 171.1 | -69.6 | -77.1 | 0 | 0 | 0 | 109.3 | L2542 E2547 H2548 G2549 N2550 Q2580 P2581 G2623 I2624 | L2542-N2583 VanDerWaalsContact CD1-ND2 3.32Å; L2542-N2583 WeakPolarHBondContact CD1-ND2 3.32Å; E2547-N2583 PolarHBondContact O-ND2 3.17Å; E2547-N2583 PolarHBondContact O-OD1 3.04Å; H2548-N2583 WeakPolarHBondContact CA-OD1 3.37Å; G2549-N2583 PolarHBondContact N-OD1 3.12Å; N2550-N2583 VanDerWaalsContact CB-OD1 3.26Å; N2550-N2583 WeakPolarHBondContact CB-OD1 3.37Å; N2550-N2583 PolarHBondContact N-OD1 3.13Å; N2550-N2583 PolarHBondContact ND2-OD1 3.12Å; Q2580-N2583 PolarHBondContact O-ND2 2.81Å; P2581-N2583 PolarHBondContact O-N 3.02Å; N2583-G2623 WeakPolarHBondContact O-CA 3.25Å; N2583-I2624 PolarHBondContact O-N 3.28Å; N2583-I2624 VanDerWaalsContact O-N 3.12Å |
| 2584 | T | 98.7 | Very high | 97.6 | Very high | 31.8 Ų | 31.8 | 11.2 Ų | 11.2 | 20% | 0.195 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 112.1 | 174 | -64.1 | 0 | 0 | 0 | 0 | 109.6 | N2550 L2551 I2552 K2586 I2624 | N2550-T2584 PolarHBondContact O-N 3.19Å; L2551-T2584 HydrophobicContact CD1-CG2 3.37Å; I2552-T2584 PolarHBondContact N-O 3.04Å; T2584-K2586 HydrophobicContact CG2-CD 3.84Å; T2584-K2586 HydrophobicContact CG2-CG 3.99Å; T2584-I2624 CarbonylContact C-O 3.56Å; T2584-I2624 WeakPolarHBondContact CA-O 3.31Å; T2584-I2624 HydrophobicContact CG2-CB 3.97Å; T2584-I2624 HydrophobicContact CG2-CD1 4.37Å; T2584-I2624 HydrophobicContact CG2-CG2 4.28Å |
| 2585 | V | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 100.6 | 179.1 | -176.1 | 0 | 0 | 0 | 0 | 108.6 | I2552 I2578 F2598 Y2600 I2624 F2625 E2626 N2628 | I2552-V2585 HydrophobicContact CB-CG2 4.48Å; I2552-V2585 HydrophobicContact CD1-CG2 4.18Å; I2552-V2585 WeakPolarHBondContact O-CA 3.42Å; I2578-V2585 HydrophobicContact CD1-CG2 4.07Å; I2578-V2585 HydrophobicContact CG1-CG2 4.4Å; V2585-F2598 HydrophobicContact CG1-CD1 4.07Å; V2585-F2598 HydrophobicContact CG1-CE1 3.78Å; V2585-Y2600 WeakPolarHBondContact CG2-OH 3.33Å; V2585-I2624 PolarHBondContact N-O 2.81Å; V2585-F2625 HydrophobicContact CB-CD2 4.22Å; V2585-F2625 HydrophobicContact CG1-CD2 4.23Å; V2585-F2625 HydrophobicContact CG1-CE2 4.36Å; V2585-F2625 WeakPolarHBondContact O-CA 3.27Å; V2585-E2626 PolarHBondContact O-N 3.01Å; V2585-N2628 PolarHBondContact O-ND2 2.98Å |
| 2586 | K | 98.4 | Very high | 97.4 | Very high | 55 Ų | 55 | 11.6 Ų | 11.6 | 24% | 0.239 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 152.4 | -175.1 | 63.2 | 179.8 | -171.8 | 178.8 | 0 | 114.5 | I2552 Q2553 Y2554 T2584 N2588 E2626 N2628 | I2552-K2586 PolarHBondContact O-N 3Å; Q2553-K2586 WeakPolarHBondContact CA-O 3.35Å; Q2553-K2586 HydrophobicContact CB-CG 3.94Å; Q2553-K2586 VanDerWaalsContact CB-O 3.31Å; Q2553-K2586 WeakPolarHBondContact CB-O 3.36Å; Y2554-K2586 PolarHBondContact N-O 3.15Å; T2584-K2586 HydrophobicContact CG2-CD 3.84Å; T2584-K2586 HydrophobicContact CG2-CG 3.99Å; K2586-N2588 PolarHBondContact N-ND2 2.91Å; K2586-N2588 PolarHBondContact O-N 3.14Å; K2586-N2588 VanDerWaalsContact O-N 3.12Å; K2586-N2588 PolarHBondContact O-ND2 2.94Å; K2586-E2626 WeakPolarHBondContact CA-O 3.21Å; K2586-E2626 HydrophobicContact CB-CB 4.49Å; K2586-E2626 WeakPolarHBondContact CB-O 3.39Å; K2586-N2628 VanDerWaalsContact C-OD1 3.29Å; K2586-N2628 WeakPolarHBondContact CA-OD1 3.41Å |
| 2587 | H | 98.5 | Very high | 97.4 | Very high | 42.4 Ų | 42.4 | 11.6 Ų | 11.6 | 20% | 0.196 | 6% | 0.06 | C | C | . | . | S | Bend | trans | 61.8 | 16.3 | 176.4 | -46.5 | -52.1 | 0 | 0 | 0 | 115.1 | Y2554 E2626 N2627 N2628 | Y2554-H2587 VanDerWaalsContact CA-O 3.3Å; Y2554-H2587 WeakPolarHBondContact CA-O 3.26Å; Y2554-H2587 HydrophobicContact CD1-CB 3.39Å; Y2554-H2587 VanDerWaalsContact CD1-CB 3.41Å; Y2554-H2587 AromaticContact CD1-CG 3.96Å; Y2554-H2587 HydrophobicContact CD2-CB 4.45Å; Y2554-H2587 HydrophobicContact CE1-CB 3.43Å; Y2554-H2587 VanDerWaalsContact CE1-CB 3.44Å; Y2554-H2587 AromaticContact CE1-CD2 3.59Å; Y2554-H2587 VanDerWaalsContact CE1-CD2 3.5Å; Y2554-H2587 WeakPolarHBondContact CE1-CD2 3.25Å; Y2554-H2587 AromaticContact CE1-CG 3.5Å; Y2554-H2587 VanDerWaalsContact CE1-CG 3.48Å; Y2554-H2587 HydrophobicContact CE2-CB 4.48Å; Y2554-H2587 AromaticContact CE2-CD2 3.8Å; Y2554-H2587 HydrophobicContact CG-CB 3.96Å; Y2554-H2587 AromaticContact CZ-CD2 3.28Å; Y2554-H2587 AromaticContact CZ-CG 3.73Å; Y2554-H2587 PolarHBondContact N-O 3.1Å; Y2554-H2587 PolarHBondContact OH-CD2 3Å; Y2554-H2587 VanDerWaalsContact OH-CD2 3.23Å; H2587-E2626 PolarHBondContact N-O 2.97Å; H2587-N2627 WeakPolarHBondContact CA-O 3.33Å; H2587-N2627 PolarHBondContact CE1-ND2 3.05Å; H2587-N2627 VanDerWaalsContact CE1-ND2 3.35Å; H2587-N2627 PolarHBondContact N-O 3.05Å; H2587-N2627 VanDerWaalsContact N-O 3.12Å; H2587-N2627 PolarHBondContact ND1-ND2 2.97Å; H2587-N2628 PolarHBondContact N-OD1 3.19Å |
| 2588 | N | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | trans | -90.1 | 153.5 | -179.8 | -55.1 | -74.1 | 0 | 0 | 0 | 111.1 | I2552 Q2553 Y2554 N2555 F2576 K2586 F2598 N2628 T2629 | I2552-N2588 PolarHBondContact O-ND2 3.11Å; Q2553-N2588 VanDerWaalsContact C-OD1 3.3Å; Q2553-N2588 WeakPolarHBondContact CA-OD1 3.31Å; Y2554-N2588 PolarHBondContact N-OD1 2.83Å; N2555-N2588 WeakPolarHBondContact CB-OD1 3.31Å; N2555-N2588 PolarHBondContact N-OD1 3.01Å; N2555-N2588 VanDerWaalsContact N-OD1 3.09Å; N2555-N2588 PolarHBondContact ND2-OD1 3.09Å; N2555-N2588 CarbonylContact O-C 3.44Å; N2555-N2588 WeakPolarHBondContact O-CA 3.36Å; F2576-N2588 HydrophobicContact CE1-CB 4.16Å; F2576-N2588 HydrophobicContact CE2-CB 3.99Å; F2576-N2588 HydrophobicContact CZ-CB 3.59Å; K2586-N2588 PolarHBondContact N-ND2 2.91Å; K2586-N2588 PolarHBondContact O-N 3.14Å; K2586-N2588 VanDerWaalsContact O-N 3.12Å; K2586-N2588 PolarHBondContact O-ND2 2.94Å; N2588-F2598 HydrophobicContact CB-CE1 4.36Å; N2588-F2598 HydrophobicContact CB-CZ 4.18Å; N2588-N2628 WeakPolarHBondContact CB-OD1 3.33Å; N2588-N2628 PolarHBondContact N-OD1 3.01Å; N2588-N2628 PolarHBondContact ND2-OD1 3Å; N2588-N2628 CarbonylContact O-C 3.49Å; N2588-N2628 WeakPolarHBondContact O-CA 3.34Å; N2588-T2629 PolarHBondContact O-N 2.96Å | ||
| 2589 | V | 98.7 | Very high | 97.5 | Very high | 1.8 Ų | 1.8 | 11.8 Ų | 11.8 | 1% | 0.011 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 125.3 | 173.8 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | W2314 E2399 N2555 L2556 F2557 A2591 T2629 | W2314-V2589 HydrophobicContact CH2-CG2 3.55Å; W2314-V2589 HydrophobicContact CZ2-CG2 4.27Å; W2314-V2589 HydrophobicContact CZ3-CG2 3.99Å; E2399-V2589 HydrophobicContact CG-CG1 4.21Å; E2399-V2589 HydrophobicContact CG-CG2 4.44Å; N2555-V2589 PolarHBondContact O-N 2.93Å; L2556-V2589 HydrophobicContact CD1-CB 3.8Å; L2556-V2589 HydrophobicContact CD1-CG1 3.8Å; F2557-V2589 PolarHBondContact N-O 2.71Å; V2589-A2591 HydrophobicContact CG1-CB 4.29Å; V2589-T2629 CarbonylContact C-O 3.56Å; V2589-T2629 VanDerWaalsContact CA-O 3.32Å; V2589-T2629 WeakPolarHBondContact CA-O 3.42Å |
| 2590 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 11.7 Ų | 11.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 103.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | A2575 F2576 F2598 T2629 A2630 H2631 N2633 | A2575-A2590 HydrophobicContact CB-CB 3.83Å; F2576-A2590 HydrophobicContact CD2-CB 4.24Å; F2576-A2590 HydrophobicContact CE2-CB 4.11Å; A2590-F2598 HydrophobicContact CB-CE2 4.08Å; A2590-F2598 HydrophobicContact CB-CZ 4.39Å; A2590-T2629 PolarHBondContact N-O 2.96Å; A2590-A2630 HydrophobicContact CB-CB 4.41Å; A2590-A2630 CarbonylContact O-C 3.2Å; A2590-A2630 VanDerWaalsContact O-CA 3.25Å; A2590-A2630 WeakPolarHBondContact O-CA 3.44Å; A2590-H2631 PolarHBondContact O-N 3.09Å; A2590-N2633 PolarHBondContact O-ND2 2.99Å |
| 2591 | A | 97.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 14.4 Ų | 14.4 | 2% | 0.017 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 141.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T2345 F2557 V2558 H2559 V2589 G2593 H2631 | T2345-A2591 HydrophobicContact CG2-CB 3.56Å; F2557-A2591 PolarHBondContact O-N 3.16Å; V2558-A2591 VanDerWaalsContact CA-O 3.32Å; V2558-A2591 WeakPolarHBondContact CA-O 3.34Å; H2559-A2591 PolarHBondContact N-O 2.98Å; V2589-A2591 HydrophobicContact CG1-CB 4.29Å; A2591-G2593 PolarHBondContact O-N 3.11Å; A2591-G2593 VanDerWaalsContact O-N 3.12Å; A2591-H2631 WeakPolarHBondContact CA-O 3.38Å; A2591-H2631 VanDerWaalsContact CB-NE2 3.32Å; A2591-H2631 WeakPolarHBondContact CB-NE2 3.42Å |
| 2592 | S | 95.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | S | Bend | trans | 60.6 | 24.4 | 166.3 | -45 | 0 | 0 | 0 | 0 | 114.7 | S2346 H2353 S2356 H2559 H2631 S2632 | S2346-S2592 VanDerWaalsContact CB-OG 3.22Å; S2346-S2592 WeakPolarHBondContact CB-OG 3.28Å; S2346-S2592 PolarHBondContact N-OG 2.87Å; S2346-S2592 VanDerWaalsContact N-OG 3.1Å; H2353-S2592 VanDerWaalsContact CB-O 3.25Å; H2353-S2592 WeakPolarHBondContact CB-O 3.34Å; S2356-S2592 WeakPolarHBondContact OG-CB 3.36Å; S2356-S2592 PolarHBondContact OG-OG 3.25Å; H2559-S2592 WeakPolarHBondContact CA-O 3.35Å; S2592-H2631 PolarHBondContact N-O 3.28Å; S2592-S2632 WeakPolarHBondContact CA-O 3.33Å |
| 2593 | G | 95.1 | Very high | 97.1 | Very high | 2.2 Ų | 2.2 | 12.8 Ų | 12.8 | 2% | 0.023 | 6% | 0.061 | C | C | . | . | trans | -72.4 | 149.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A2591 H2595 N2633 G2634 | A2591-G2593 PolarHBondContact O-N 3.11Å; A2591-G2593 VanDerWaalsContact O-N 3.12Å; G2593-H2595 PolarHBondContact O-N 2.99Å; G2593-N2633 VanDerWaalsContact CA-OD1 3.32Å; G2593-N2633 WeakPolarHBondContact CA-OD1 3.33Å; G2593-N2633 PolarHBondContact N-OD1 3.18Å; G2593-N2633 CarbonylContact O-C 3.56Å; G2593-N2633 VanDerWaalsContact O-CA 3.29Å; G2593-N2633 WeakPolarHBondContact O-CA 3.21Å; G2593-G2634 PolarHBondContact O-N 2.94Å | ||
| 2594 | T | 93.7 | Very high | 96.9 | Very high | 12 Ų | 12 | 18.6 Ų | 18.6 | 7% | 0.074 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -66.8 | -25.1 | 176.8 | 55 | 0 | 0 | 0 | 0 | 113.2 | F2428 T2430 V2560 K2561 R2562 G2634 | F2428-T2594 HydrophobicContact CE1-CG2 3.94Å; F2428-T2594 HydrophobicContact CZ-CG2 3.94Å; T2430-T2594 VanDerWaalsContact CG2-O 3.23Å; T2430-T2594 WeakPolarHBondContact CG2-O 3.23Å; V2560-T2594 PolarHBondContact O-N 3.14Å; V2560-T2594 PolarHBondContact O-OG1 2.94Å; V2560-T2594 VanDerWaalsContact O-OG1 3.11Å; K2561-T2594 WeakPolarHBondContact CA-OG1 3.21Å; K2561-T2594 HydrophobicContact CB-CG2 4.16Å; R2562-T2594 PolarHBondContact N-OG1 3.01Å; R2562-T2594 VanDerWaalsContact N-OG1 3.12Å; T2594-G2634 WeakPolarHBondContact O-CA 3.34Å |
| 2595 | H | 95.3 | Very high | 96.8 | Very high | 10.2 Ų | 10.2 | 19.4 Ų | 19.4 | 5% | 0.047 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -135.4 | -95.6 | -176.2 | -64.8 | 76.5 | 0 | 0 | 0 | 111.7 | T2430 V2571 P2573 G2593 N2633 W2635 F2636 | T2430-H2595 PolarHBondContact O-NE2 3.07Å; V2571-H2595 PolarHBondContact O-CE1 3.07Å; P2573-H2595 WeakPolarHBondContact O-CB 3.32Å; G2593-H2595 PolarHBondContact O-N 2.99Å; H2595-N2633 WeakPolarHBondContact O-CB 3.26Å; H2595-W2635 HydrophobicContact CB-CB 4.45Å; H2595-W2635 HydrophobicContact CB-CD2 4.48Å; H2595-W2635 HydrophobicContact CB-CG 4.38Å; H2595-W2635 AromaticContact CD2-CD1 3.73Å; H2595-W2635 AromaticContact CD2-CD2 3.69Å; H2595-W2635 VanDerWaalsContact CD2-CD2 3.47Å; H2595-W2635 AromaticContact CD2-CE2 3.42Å; H2595-W2635 VanDerWaalsContact CD2-CE2 3.45Å; H2595-W2635 AromaticContact CD2-CE3 3.8Å; H2595-W2635 AromaticContact CD2-CG 3.95Å; H2595-W2635 AromaticContact CD2-CH2 3.8Å; H2595-W2635 AromaticContact CD2-CZ2 3.76Å; H2595-W2635 AromaticContact CD2-CZ3 3.94Å; H2595-W2635 AromaticContact CD2-NE1 3.55Å; H2595-W2635 PolarHBondContact CD2-NE1 3.13Å; H2595-W2635 AromaticContact NE2-CE2 3.91Å; H2595-W2635 AromaticContact NE2-CZ2 3.66Å; H2595-W2635 AromaticContact NE2-NE1 3.84Å; H2595-W2635 CarbonylContact O-C 3.53Å; H2595-W2635 WeakPolarHBondContact O-CA 3.45Å; H2595-W2635 WeakPolarHBondContact O-CB 3.38Å; H2595-W2635 PolarHBondContact O-N 3.03Å; H2595-F2636 PolarHBondContact O-N 2.85Å |
| 2596 | F | 97.4 | Very high | 96.7 | Very high | 1.4 Ų | 1.4 | 19.5 Ų | 19.5 | 1% | 0.006 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 143.1 | -168.2 | -51.6 | -69.5 | 0 | 0 | 0 | 113.3 | V2572 P2573 A2574 A2575 W2599 W2635 F2636 W2639 | V2572-F2596 HydrophobicContact CB-CE2 4.06Å; V2572-F2596 HydrophobicContact CG2-CE2 4.41Å; V2572-F2596 VanDerWaalsContact O-CD2 3.29Å; V2572-F2596 WeakPolarHBondContact O-CD2 3.35Å; V2572-F2596 VanDerWaalsContact O-CE2 3.26Å; V2572-F2596 WeakPolarHBondContact O-CE2 3.33Å; P2573-F2596 PolarHBondContact O-N 3.16Å; P2573-F2596 VanDerWaalsContact O-N 3.1Å; A2574-F2596 VanDerWaalsContact CA-O 3.31Å; A2574-F2596 WeakPolarHBondContact CA-O 3.29Å; A2574-F2596 HydrophobicContact CB-CB 3.87Å; A2575-F2596 PolarHBondContact N-O 3.03Å; A2575-F2596 VanDerWaalsContact N-O 3.09Å; F2596-W2599 HydrophobicContact CB-CB 4.49Å; F2596-W2599 HydrophobicContact CD2-CD2 4.34Å; F2596-W2599 AromaticContact CD2-CE3 3.62Å; F2596-W2599 HydrophobicContact CD2-CE3 3.62Å; F2596-W2599 VanDerWaalsContact CD2-CE3 3.48Å; F2596-W2599 HydrophobicContact CD2-CZ3 4.18Å; F2596-W2599 HydrophobicContact CE2-CD2 4.43Å; F2596-W2599 AromaticContact CE2-CE3 3.72Å; F2596-W2599 HydrophobicContact CE2-CE3 3.72Å; F2596-W2599 AromaticContact CE2-CZ3 3.86Å; F2596-W2599 HydrophobicContact CE2-CZ3 3.86Å; F2596-W2635 HydrophobicContact CD1-CB 4.04Å; F2596-W2635 HydrophobicContact CE1-CB 3.87Å; F2596-W2635 HydrophobicContact CE1-CD2 4.28Å; F2596-W2635 AromaticContact CE1-CE3 3.51Å; F2596-W2635 HydrophobicContact CE1-CE3 3.51Å; F2596-W2635 VanDerWaalsContact CE1-CE3 3.48Å; F2596-W2635 HydrophobicContact CE1-CG 4.42Å; F2596-W2635 HydrophobicContact CE1-CZ3 4.34Å; F2596-W2635 HydrophobicContact CE2-CE3 4.28Å; F2596-W2635 HydrophobicContact CE2-CZ3 4.49Å; F2596-W2635 HydrophobicContact CZ-CB 4.47Å; F2596-W2635 HydrophobicContact CZ-CD2 4.23Å; F2596-W2635 AromaticContact CZ-CE3 3.29Å; F2596-W2635 HydrophobicContact CZ-CE3 3.29Å; F2596-W2635 AromaticContact CZ-CZ3 3.72Å; F2596-W2635 HydrophobicContact CZ-CZ3 3.72Å; F2596-F2636 CarbonylContact C-O 3.52Å; F2596-F2636 VanDerWaalsContact CA-O 3.31Å; F2596-F2636 WeakPolarHBondContact CA-O 3.44Å; F2596-F2636 HydrophobicContact CD1-CB 3.98Å; F2596-F2636 HydrophobicContact CD1-CD2 4.08Å; F2596-F2636 HydrophobicContact CD1-CG 4.13Å; F2596-F2636 HydrophobicContact CE1-CB 4.31Å; F2596-F2636 AromaticContact CE1-CD2 3.6Å; F2596-F2636 HydrophobicContact CE1-CD2 3.6Å; F2596-F2636 AromaticContact CE1-CE2 3.95Å; F2596-F2636 HydrophobicContact CE1-CE2 3.95Å; F2596-F2636 AromaticContact CE1-CG 3.95Å; F2596-F2636 HydrophobicContact CE1-CG 3.95Å; F2596-W2639 HydrophobicContact CD1-CB 3.94Å; F2596-W2639 HydrophobicContact CD1-CD2 4.38Å; F2596-W2639 HydrophobicContact CD1-CE3 4.12Å; F2596-W2639 HydrophobicContact CD1-CG 4.36Å; F2596-W2639 HydrophobicContact CD2-CE3 4.04Å; F2596-W2639 HydrophobicContact CD2-CZ3 4.45Å; F2596-W2639 HydrophobicContact CE1-CB 4.11Å; F2596-W2639 AromaticContact CE1-CD2 3.72Å; F2596-W2639 HydrophobicContact CE1-CD2 3.72Å; F2596-W2639 AromaticContact CE1-CE3 3.51Å; F2596-W2639 HydrophobicContact CE1-CE3 3.51Å; F2596-W2639 VanDerWaalsContact CE1-CE3 3.48Å; F2596-W2639 AromaticContact CE1-CG 3.98Å; F2596-W2639 HydrophobicContact CE1-CG 4.02Å; F2596-W2639 HydrophobicContact CE1-CZ3 4.12Å; F2596-W2639 HydrophobicContact CE2-CD2 4.43Å; F2596-W2639 AromaticContact CE2-CE3 3.41Å; F2596-W2639 HydrophobicContact CE2-CE3 3.41Å; F2596-W2639 VanDerWaalsContact CE2-CE3 3.44Å; F2596-W2639 AromaticContact CE2-CZ3 3.48Å; F2596-W2639 HydrophobicContact CE2-CZ3 3.48Å; F2596-W2639 VanDerWaalsContact CE2-CZ3 3.47Å; F2596-W2639 HydrophobicContact CG-CE3 4.35Å; F2596-W2639 AromaticContact CZ-CD2 3.75Å; F2596-W2639 HydrophobicContact CZ-CD2 3.75Å; F2596-W2639 AromaticContact CZ-CE3 3.1Å; F2596-W2639 HydrophobicContact CZ-CE3 3.1Å; F2596-W2639 HydrophobicContact CZ-CG 4.48Å; F2596-W2639 HydrophobicContact CZ-CH2 4.05Å; F2596-W2639 AromaticContact CZ-CZ3 3.27Å; F2596-W2639 HydrophobicContact CZ-CZ3 3.27Å |
| 2597 | G | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | -64.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | A2575 F2576 F2636 | A2575-G2597 WeakPolarHBondContact CB-O 3.34Å; A2575-G2597 PolarHBondContact N-O 3.06Å; F2576-G2597 PolarHBondContact N-O 3.2Å; G2597-F2636 PolarHBondContact N-O 3.11Å |
| 2598 | F | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 129.9 | 179.5 | -59.4 | -92.1 | 0 | 0 | 0 | 110 | F2576 V2585 N2588 A2590 F2625 N2628 A2630 A2637 L2638 W2639 | F2576-F2598 HydrophobicContact CB-CD1 3.5Å; F2576-F2598 VanDerWaalsContact CB-CD1 3.49Å; F2576-F2598 HydrophobicContact CB-CE1 3.89Å; F2576-F2598 HydrophobicContact CB-CG 4.35Å; F2576-F2598 HydrophobicContact CD1-CE1 4.32Å; F2576-F2598 AromaticContact CD2-CD1 3.67Å; F2576-F2598 HydrophobicContact CD2-CD1 3.67Å; F2576-F2598 AromaticContact CD2-CE1 3.24Å; F2576-F2598 HydrophobicContact CD2-CE1 3.24Å; F2576-F2598 HydrophobicContact CD2-CE2 4.45Å; F2576-F2598 HydrophobicContact CD2-CG 4.43Å; F2576-F2598 AromaticContact CD2-CZ 3.69Å; F2576-F2598 HydrophobicContact CD2-CZ 3.69Å; F2576-F2598 AromaticContact CE2-CE1 3.81Å; F2576-F2598 HydrophobicContact CE2-CE1 3.81Å; F2576-F2598 AromaticContact CE2-CZ 3.92Å; F2576-F2598 HydrophobicContact CE2-CZ 3.92Å; F2576-F2598 AromaticContact CG-CD1 3.74Å; F2576-F2598 HydrophobicContact CG-CD1 3.74Å; F2576-F2598 AromaticContact CG-CE1 3.55Å; F2576-F2598 HydrophobicContact CG-CE1 3.55Å; F2576-F2598 HydrophobicContact CG-CZ 4.43Å; F2576-F2598 WeakPolarHBondContact O-CA 3.34Å; V2585-F2598 HydrophobicContact CG1-CD1 4.07Å; V2585-F2598 HydrophobicContact CG1-CE1 3.78Å; N2588-F2598 HydrophobicContact CB-CE1 4.36Å; N2588-F2598 HydrophobicContact CB-CZ 4.18Å; A2590-F2598 HydrophobicContact CB-CE2 4.08Å; A2590-F2598 HydrophobicContact CB-CZ 4.39Å; F2598-F2625 HydrophobicContact CB-CE2 4.2Å; F2598-F2625 HydrophobicContact CB-CZ 4.48Å; F2598-F2625 AromaticContact CD1-CE2 3.72Å; F2598-F2625 HydrophobicContact CD1-CE2 3.72Å; F2598-F2625 HydrophobicContact CD1-CZ 4.34Å; F2598-F2625 HydrophobicContact CD2-CE2 4.34Å; F2598-F2625 HydrophobicContact CD2-CZ 4.17Å; F2598-F2625 HydrophobicContact CE1-CE2 4.21Å; F2598-F2625 HydrophobicContact CE2-CZ 4.49Å; F2598-F2625 AromaticContact CG-CE2 3.82Å; F2598-F2625 HydrophobicContact CG-CE2 3.82Å; F2598-F2625 HydrophobicContact CG-CZ 4.09Å; F2598-N2628 HydrophobicContact CE1-CB 4.26Å; F2598-N2628 HydrophobicContact CE2-CB 3.85Å; F2598-N2628 HydrophobicContact CZ-CB 3.58Å; F2598-A2630 HydrophobicContact CD2-CB 4.35Å; F2598-A2630 HydrophobicContact CE2-CB 4.16Å; F2598-A2637 WeakPolarHBondContact CD2-O 3.32Å; F2598-A2637 PolarHBondContact N-O 3.09Å; F2598-L2638 HydrophobicContact CB-CD1 3.79Å; F2598-L2638 CarbonylContact O-C 3.36Å; F2598-L2638 WeakPolarHBondContact O-CA 3.38Å; F2598-W2639 PolarHBondContact O-N 2.85Å |
| 2599 | W | 98 | Very high | 95.7 | Very high | 5.8 Ų | 5.8 | 23.7 Ų | 23.7 | 2% | 0.022 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 112.7 | 173.1 | -175.2 | 0.6 | 0 | 0 | 0 | 110.3 | D2569 V2572 A2574 F2576 W2577 I2578 F2596 R2601 W2639 H2641 | D2569-W2599 HydrophobicContact CB-CH2 4.44Å; D2569-W2599 HydrophobicContact CB-CZ3 4.49Å; V2572-W2599 HydrophobicContact CG2-CH2 4.34Å; V2572-W2599 HydrophobicContact CG2-CZ3 3.99Å; V2572-W2599 WeakPolarHBondContact O-CZ3 3.27Å; A2574-W2599 HydrophobicContact CB-CB 3.61Å; F2576-W2599 PolarHBondContact O-N 3.07Å; W2577-W2599 HydrophobicContact CE3-CB 4.45Å; W2577-W2599 AromaticContact CE3-CD2 3.87Å; W2577-W2599 HydrophobicContact CE3-CD2 3.91Å; W2577-W2599 AromaticContact CE3-CE3 3.57Å; W2577-W2599 HydrophobicContact CE3-CE3 3.57Å; W2577-W2599 HydrophobicContact CE3-CG 4.36Å; W2577-W2599 AromaticContact CE3-CZ3 3.98Å; W2577-W2599 HydrophobicContact CE3-CZ3 4.02Å; W2577-W2599 HydrophobicContact CH2-CD2 4.16Å; W2577-W2599 AromaticContact CH2-CE3 3.71Å; W2577-W2599 HydrophobicContact CH2-CE3 3.99Å; W2577-W2599 AromaticContact CH2-CH2 3.62Å; W2577-W2599 HydrophobicContact CH2-CH2 3.62Å; W2577-W2599 VanDerWaalsContact CH2-CH2 3.48Å; W2577-W2599 AromaticContact CH2-CZ2 3.83Å; W2577-W2599 HydrophobicContact CH2-CZ2 3.83Å; W2577-W2599 AromaticContact CH2-CZ3 3.76Å; W2577-W2599 HydrophobicContact CH2-CZ3 3.76Å; W2577-W2599 VanDerWaalsContact CH2-CZ3 3.47Å; W2577-W2599 AromaticContact CZ3-CD2 3.57Å; W2577-W2599 HydrophobicContact CZ3-CD2 3.57Å; W2577-W2599 VanDerWaalsContact CZ3-CD2 3.49Å; W2577-W2599 AromaticContact CZ3-CE2 3.93Å; W2577-W2599 AromaticContact CZ3-CE3 3.1Å; W2577-W2599 HydrophobicContact CZ3-CE3 3.1Å; W2577-W2599 HydrophobicContact CZ3-CG 4.43Å; W2577-W2599 AromaticContact CZ3-CH2 3.49Å; W2577-W2599 HydrophobicContact CZ3-CH2 3.49Å; W2577-W2599 VanDerWaalsContact CZ3-CH2 3.46Å; W2577-W2599 AromaticContact CZ3-CZ2 3.88Å; W2577-W2599 HydrophobicContact CZ3-CZ2 3.94Å; W2577-W2599 AromaticContact CZ3-CZ3 3.1Å; W2577-W2599 HydrophobicContact CZ3-CZ3 3.1Å; I2578-W2599 PolarHBondContact N-O 3.1Å; F2596-W2599 HydrophobicContact CB-CB 4.49Å; F2596-W2599 HydrophobicContact CD2-CD2 4.34Å; F2596-W2599 AromaticContact CD2-CE3 3.62Å; F2596-W2599 HydrophobicContact CD2-CE3 3.62Å; F2596-W2599 VanDerWaalsContact CD2-CE3 3.48Å; F2596-W2599 HydrophobicContact CD2-CZ3 4.18Å; F2596-W2599 HydrophobicContact CE2-CD2 4.43Å; F2596-W2599 AromaticContact CE2-CE3 3.72Å; F2596-W2599 HydrophobicContact CE2-CE3 3.72Å; F2596-W2599 AromaticContact CE2-CZ3 3.86Å; F2596-W2599 HydrophobicContact CE2-CZ3 3.86Å; W2599-R2601 HydrophobicContact CZ2-CB 4.49Å; W2599-R2601 HydrophobicContact CZ2-CG 4.35Å; W2599-W2639 CarbonylContact C-O 3.54Å; W2599-W2639 WeakPolarHBondContact CA-O 3.39Å; W2599-W2639 AromaticContact CD1-CE3 3.82Å; W2599-W2639 AromaticContact CD2-CE3 3.47Å; W2599-W2639 HydrophobicContact CD2-CE3 3.47Å; W2599-W2639 VanDerWaalsContact CD2-CE3 3.45Å; W2599-W2639 AromaticContact CD2-CZ3 3.78Å; W2599-W2639 HydrophobicContact CD2-CZ3 3.78Å; W2599-W2639 AromaticContact CE2-CE3 3.37Å; W2599-W2639 AromaticContact CE2-CZ3 3.39Å; W2599-W2639 VanDerWaalsContact CE2-CZ3 3.41Å; W2599-W2639 AromaticContact CE3-CE3 3.87Å; W2599-W2639 HydrophobicContact CE3-CE3 3.87Å; W2599-W2639 AromaticContact CE3-CZ3 3.9Å; W2599-W2639 HydrophobicContact CE3-CZ3 3.9Å; W2599-W2639 HydrophobicContact CG-CB 4.45Å; W2599-W2639 AromaticContact CG-CE3 3.87Å; W2599-W2639 HydrophobicContact CG-CE3 3.87Å; W2599-W2639 HydrophobicContact CH2-CE3 4.24Å; W2599-W2639 HydrophobicContact CH2-CH2 4.37Å; W2599-W2639 AromaticContact CH2-CZ3 3.5Å; W2599-W2639 HydrophobicContact CH2-CZ3 3.5Å; W2599-W2639 VanDerWaalsContact CH2-CZ3 3.43Å; W2599-W2639 AromaticContact CZ2-CE3 3.83Å; W2599-W2639 HydrophobicContact CZ2-CE3 3.83Å; W2599-W2639 HydrophobicContact CZ2-CH2 4.1Å; W2599-W2639 AromaticContact CZ2-CZ3 3.3Å; W2599-W2639 HydrophobicContact CZ2-CZ3 3.3Å; W2599-W2639 HydrophobicContact CZ3-CE3 4.19Å; W2599-W2639 AromaticContact CZ3-CZ3 3.73Å; W2599-W2639 HydrophobicContact CZ3-CZ3 3.73Å; W2599-W2639 AromaticContact NE1-CE3 3.55Å; W2599-W2639 AromaticContact NE1-CZ3 3.93Å; W2599-H2641 PolarHBondContact NE1-O 3Å |
| 2600 | Y | 98 | Very high | 95.5 | Very high | 0.4 Ų | 0.4 | 24 Ų | 24 | 0% | 0.002 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 100.9 | 171.5 | -84 | -111.7 | 0 | 0 | 0 | 109.9 | I2578 V2585 M2602 L2622 F2625 L2638 W2639 H2641 F2662 | I2578-Y2600 HydrophobicContact CB-CD1 4.25Å; I2578-Y2600 HydrophobicContact CB-CD2 4.14Å; I2578-Y2600 HydrophobicContact CB-CE1 4.18Å; I2578-Y2600 HydrophobicContact CB-CE2 4.08Å; I2578-Y2600 HydrophobicContact CB-CG 4.21Å; I2578-Y2600 HydrophobicContact CG1-CD2 4.33Å; I2578-Y2600 HydrophobicContact CG1-CE2 3.92Å; I2578-Y2600 HydrophobicContact CG2-CD1 3.95Å; I2578-Y2600 HydrophobicContact CG2-CE1 3.63Å; I2578-Y2600 HydrophobicContact CG2-CE2 4.35Å; I2578-Y2600 HydrophobicContact CG2-CG 4.42Å; I2578-Y2600 CarbonylContact O-C 3.53Å; I2578-Y2600 VanDerWaalsContact O-CA 3.28Å; I2578-Y2600 WeakPolarHBondContact O-CA 3.37Å; V2585-Y2600 WeakPolarHBondContact CG2-OH 3.33Å; Y2600-M2602 VanDerWaalsContact C-SD 3.59Å; Y2600-M2602 HydrophobicContact CD1-CE 3.44Å; Y2600-M2602 VanDerWaalsContact CD1-CE 3.41Å; Y2600-M2602 HydrophobicContact CD1-SD 4.29Å; Y2600-M2602 HydrophobicContact CE1-CE 4.31Å; Y2600-M2602 HydrophobicContact CG-CE 4.03Å; Y2600-M2602 WeakPolarHBondContact O-CE 3.37Å; Y2600-L2622 HydrophobicContact CD1-CD1 4.22Å; Y2600-L2622 HydrophobicContact CE1-CD1 3.6Å; Y2600-F2625 AromaticContact CE2-CD2 3.8Å; Y2600-F2625 HydrophobicContact CE2-CD2 3.8Å; Y2600-F2625 HydrophobicContact CE2-CE2 4.03Å; Y2600-F2625 AromaticContact CZ-CD2 3.92Å; Y2600-F2625 WeakPolarHBondContact OH-CD2 3.32Å; Y2600-L2638 HydrophobicContact CD2-CD1 3.77Å; Y2600-L2638 HydrophobicContact CE2-CD1 4.27Å; Y2600-W2639 PolarHBondContact N-O 3.18Å; Y2600-H2641 PolarHBondContact O-N 3.16Å; Y2600-H2641 VanDerWaalsContact O-N 3.14Å; Y2600-F2662 AromaticContact CD1-CE1 3.9Å; Y2600-F2662 HydrophobicContact CD1-CE1 3.96Å; Y2600-F2662 AromaticContact CD1-CZ 3.86Å; Y2600-F2662 HydrophobicContact CD1-CZ 3.9Å; Y2600-F2662 AromaticContact CD2-CE1 3.96Å; Y2600-F2662 HydrophobicContact CD2-CE1 3.96Å; Y2600-F2662 HydrophobicContact CD2-CZ 4.4Å; Y2600-F2662 AromaticContact CE1-CE1 3.87Å; Y2600-F2662 HydrophobicContact CE1-CE1 3.91Å; Y2600-F2662 HydrophobicContact CE1-CZ 4.14Å; Y2600-F2662 AromaticContact CE2-CE1 3.88Å; Y2600-F2662 HydrophobicContact CE2-CE1 3.88Å; Y2600-F2662 AromaticContact CG-CE1 3.97Å; Y2600-F2662 HydrophobicContact CG-CE1 4.01Å; Y2600-F2662 HydrophobicContact CG-CZ 4.14Å; Y2600-F2662 AromaticContact CZ-CE1 3.88Å |
| 2601 | R | 95 | Very high | 95.3 | Very high | 65 Ų | 65 | 29 Ų | 29 | 25% | 0.245 | 17% | 0.17 | C | C | . | . | trans | -111.7 | 86.2 | -178.2 | -171 | -170.2 | 173.7 | -165.6 | 0.1 | 112.4 | D2569 W2577 I2578 T2579 W2599 L2603 H2641 | D2569-R2601 IonicContact OD1-CZ 3.35Å; D2569-R2601 IonicContact OD1-NH1 3.67Å; D2569-R2601 PolarHBondContact OD1-NH1 3.15Å; D2569-R2601 VanDerWaalsContact OD1-NH1 3.11Å; D2569-R2601 IonicContact OD1-NH2 3.14Å; D2569-R2601 IonicContact OD2-CZ 3.09Å; D2569-R2601 IonicContact OD2-NH1 3.51Å; D2569-R2601 PolarHBondContact OD2-NH1 3.07Å; D2569-R2601 IonicContact OD2-NH2 3.42Å; W2577-R2601 HydrophobicContact CH2-CB 4.43Å; W2577-R2601 VanDerWaalsContact CH2-CD 3.43Å; W2577-R2601 HydrophobicContact CH2-CG 4.48Å; W2577-R2601 HydrophobicContact CZ2-CB 4.18Å; W2577-R2601 HydrophobicContact CZ2-CG 4.35Å; W2577-R2601 VanDerWaalsContact CZ2-NH1 3.3Å; I2578-R2601 PolarHBondContact O-N 3.08Å; T2579-R2601 VanDerWaalsContact CA-O 3.3Å; T2579-R2601 WeakPolarHBondContact CA-O 3.37Å; T2579-R2601 HydrophobicContact CG2-CB 4.43Å; W2599-R2601 HydrophobicContact CZ2-CB 4.49Å; W2599-R2601 HydrophobicContact CZ2-CG 4.35Å; R2601-L2603 PolarHBondContact O-N 3.1Å; R2601-H2641 VanDerWaalsContact CA-O 3.29Å; R2601-H2641 WeakPolarHBondContact CA-O 3.32Å; R2601-H2641 VanDerWaalsContact CG-O 3.3Å; R2601-H2641 WeakPolarHBondContact CG-O 3.37Å | ||
| 2602 | M | 95.1 | Very high | 95.2 | Very high | 2.4 Ų | 2.4 | 30.8 Ų | 30.8 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | trans | -83.8 | 109.9 | 179.8 | -53.5 | -39.8 | 132.1 | 0 | 0 | 111.5 | I2578 P2581 Y2600 P2617 R2618 I2640 S2643 F2644 | I2578-M2602 HydrophobicContact CG2-CE 4.34Å; I2578-M2602 VanDerWaalsContact O-CE 3.23Å; I2578-M2602 WeakPolarHBondContact O-CE 3.21Å; P2581-M2602 HydrophobicContact CB-CE 3.85Å; P2581-M2602 HydrophobicContact CB-SD 4.12Å; P2581-M2602 WeakPolarHBondContact CD-SD 3.35Å; P2581-M2602 HydrophobicContact CG-CE 4.39Å; P2581-M2602 HydrophobicContact CG-CG 4.3Å; P2581-M2602 HydrophobicContact CG-SD 4.08Å; Y2600-M2602 VanDerWaalsContact C-SD 3.59Å; Y2600-M2602 HydrophobicContact CD1-CE 3.44Å; Y2600-M2602 VanDerWaalsContact CD1-CE 3.41Å; Y2600-M2602 HydrophobicContact CD1-SD 4.29Å; Y2600-M2602 HydrophobicContact CE1-CE 4.31Å; Y2600-M2602 HydrophobicContact CG-CE 4.03Å; Y2600-M2602 WeakPolarHBondContact O-CE 3.37Å; M2602-P2617 HydrophobicContact CB-CB 4.23Å; M2602-P2617 HydrophobicContact SD-CB 4.25Å; M2602-R2618 HydrophobicContact CB-CB 4.45Å; M2602-R2618 HydrophobicContact CB-CG 3.83Å; M2602-R2618 VanDerWaalsContact O-CG 3.25Å; M2602-R2618 WeakPolarHBondContact O-CG 3.37Å; M2602-R2618 PolarHBondContact O-NE 3.01Å; M2602-I2640 HydrophobicContact CE-CG2 3.86Å; M2602-S2643 VanDerWaalsContact CE-O 3.3Å; M2602-S2643 WeakPolarHBondContact CE-O 3.21Å; M2602-F2644 HydrophobicContact CE-CB 3.69Å; M2602-F2644 HydrophobicContact CE-CD2 4.5Å; M2602-F2644 HydrophobicContact CE-CG 4.08Å; M2602-F2644 HydrophobicContact CG-CD2 4Å; M2602-F2644 HydrophobicContact CG-CE2 4.44Å; M2602-F2644 HydrophobicContact CG-CG 4.32Å; M2602-F2644 HydrophobicContact SD-CD2 4.35Å; M2602-F2644 HydrophobicContact SD-CG 4.25Å | ||
| 2603 | L | 93.1 | Very high | 95.1 | Very high | 34.2 Ų | 34.2 | 36.4 Ų | 36.4 | 18% | 0.179 | 22% | 0.215 | C | C | . | . | trans | -71.8 | 155.9 | 169.9 | -59.6 | -179.7 | 0 | 0 | 0 | 110.7 | R2601 N2605 S2607 P2617 R2618 | R2601-L2603 PolarHBondContact O-N 3.1Å; L2603-N2605 VanDerWaalsContact C-N 3.27Å; L2603-N2605 VanDerWaalsContact CB-O 3.26Å; L2603-N2605 WeakPolarHBondContact CB-O 3.33Å; L2603-N2605 PolarHBondContact O-N 3.11Å; L2603-S2607 WeakPolarHBondContact CD1-OG 3.4Å; L2603-P2617 WeakPolarHBondContact O-CB 3.31Å; L2603-P2617 VanDerWaalsContact O-CD 3.26Å; L2603-P2617 WeakPolarHBondContact O-CD 3.31Å; L2603-P2617 WeakPolarHBondContact O-CG 3.17Å; L2603-R2618 WeakPolarHBondContact O-CG 3.34Å; L2603-R2618 PolarHBondContact O-N 3.16Å | ||
| 2604 | E | 94.3 | Very high | 95.1 | Very high | 124.4 Ų | 124.4 | 40.6 Ų | 40.6 | 58% | 0.581 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -60.4 | -41.7 | 175 | -176.2 | 164.2 | -179.5 | 0 | 0 | 111.6 | C2616 P2617 R2618 | E2604-C2616 VanDerWaalsContact O-CA 3.27Å; E2604-C2616 WeakPolarHBondContact O-CA 3.32Å; E2604-P2617 WeakPolarHBondContact O-CD 3.4Å; E2604-R2618 IonicContact OE2-NH1 3.15Å |
| 2605 | N | 95.8 | Very high | 95.2 | Very high | 47.8 Ų | 47.8 | 41.5 Ų | 41.5 | 26% | 0.256 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -140.8 | 153.2 | 174.7 | -70.3 | 120.9 | 0 | 0 | 0 | 108.7 | L2603 T2612 T2613 V2615 C2616 | L2603-N2605 VanDerWaalsContact C-N 3.27Å; L2603-N2605 VanDerWaalsContact CB-O 3.26Å; L2603-N2605 WeakPolarHBondContact CB-O 3.33Å; L2603-N2605 PolarHBondContact O-N 3.11Å; N2605-T2612 VanDerWaalsContact CB-O 3.32Å; N2605-T2612 WeakPolarHBondContact CB-O 3.34Å; N2605-T2613 PolarHBondContact ND2-O 2.83Å; N2605-V2615 PolarHBondContact ND2-O 2.93Å; N2605-C2616 PolarHBondContact ND2-SG 3.45Å; N2605-C2616 VanDerWaalsContact ND2-SG 3.37Å |
| 2606 | P | 96.3 | Very high | 95.2 | Very high | 3.4 Ų | 3.4 | 41.7 Ų | 41.7 | 2% | 0.022 | 25% | 0.252 | C | S | . | . | trans | -54.9 | 149.9 | 173.1 | -28.5 | 36.6 | 0 | 0 | 0 | 113 | D2544 I2546 T2611 T2612 V2615 P2617 | D2544-P2606 CarbonylContact O-C 3.55Å; D2544-P2606 WeakPolarHBondContact O-CA 3.21Å; D2544-P2606 VanDerWaalsContact O-CB 3.27Å; D2544-P2606 WeakPolarHBondContact O-CB 3.3Å; I2546-P2606 HydrophobicContact CB-CB 4.33Å; I2546-P2606 HydrophobicContact CB-CG 4.15Å; P2606-T2611 WeakPolarHBondContact O-CA 3.41Å; P2606-T2611 PolarHBondContact O-OG1 3.17Å; P2606-T2612 HydrophobicContact CB-CG2 4.24Å; P2606-T2612 WeakPolarHBondContact CD-O 3.39Å; P2606-T2612 HydrophobicContact CG-CG2 3.88Å; P2606-V2615 WeakPolarHBondContact CD-O 3.25Å; P2606-V2615 HydrophobicContact CG-CB 3.83Å; P2606-V2615 HydrophobicContact CG-CG1 3.94Å; P2606-P2617 HydrophobicContact CG-CG 4.33Å | ||
| 2607 | S | 92.6 | Very high | 95.2 | Very high | 49 Ų | 49 | 41.6 Ų | 41.6 | 34% | 0.343 | 25% | 0.252 | S | S | . | . | trans | -116.5 | -167.6 | -179.8 | 66.5 | 0 | 0 | 0 | 0 | 111.7 | D2544 L2603 S2610 T2611 | D2544-S2607 WeakPolarHBondContact CB-O 3.28Å; D2544-S2607 PolarHBondContact O-N 2.87Å; D2544-S2607 VanDerWaalsContact OD2-O 3.11Å; L2603-S2607 WeakPolarHBondContact CD1-OG 3.4Å; S2607-S2610 CarbonylContact O-C 3.54Å; S2607-S2610 PolarHBondContact O-N 2.98Å; S2607-T2611 VanDerWaalsContact C-OG1 3.3Å; S2607-T2611 PolarHBondContact O-N 3.15Å; S2607-T2611 VanDerWaalsContact O-N 3.16Å | ||
| 2608 | G | 91.3 | Very high | 95.1 | Very high | 42.8 Ų | 42.8 | 44.3 Ų | 44.3 | 44% | 0.441 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | 62.1 | -155.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D2544 S2610 T2611 | D2544-G2608 WeakPolarHBondContact OD1-CA 3.3Å; G2608-S2610 PolarHBondContact O-N 3.03Å; G2608-S2610 VanDerWaalsContact O-N 3.09Å; G2608-T2611 PolarHBondContact N-OG1 3.22Å; G2608-T2611 WeakPolarHBondContact O-CB 3.31Å; G2608-T2611 PolarHBondContact O-N 3.16Å; G2608-T2611 VanDerWaalsContact O-N 3.13Å; G2608-T2611 PolarHBondContact O-OG1 3.02Å |
| 2609 | P | 91.4 | Very high | 94.9 | Very high | 92 Ų | 92 | 46.1 Ų | 46.1 | 60% | 0.597 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -56.3 | -17.5 | 175.2 | -27.1 | 36.9 | 0 | 0 | 0 | 114.9 | L2495 D2544 | L2495-P2609 HydrophobicContact CD1-CB 4.12Å; L2495-P2609 HydrophobicContact CD2-CB 4.25Å; D2544-P2609 WeakPolarHBondContact OD2-CD 3.35Å |
| 2610 | S | 94.4 | Very high | 94.9 | Very high | 9.8 Ų | 9.8 | 46.7 Ų | 46.7 | 7% | 0.069 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -103.1 | 18.8 | 179.6 | -45.2 | 0 | 0 | 0 | 0 | 114.1 | N2521 D2544 S2607 G2608 T2612 | N2521-S2610 VanDerWaalsContact CB-OG 3.28Å; N2521-S2610 WeakPolarHBondContact CB-OG 3.27Å; N2521-S2610 WeakPolarHBondContact ND2-CB 3.36Å; N2521-S2610 PolarHBondContact ND2-OG 3.04Å; N2521-S2610 VanDerWaalsContact ND2-OG 3.12Å; D2544-S2610 VanDerWaalsContact OD2-CB 3.28Å; D2544-S2610 WeakPolarHBondContact OD2-CB 3.41Å; D2544-S2610 PolarHBondContact OD2-N 3.21Å; D2544-S2610 PolarHBondContact OD2-OG 3.27Å; S2607-S2610 CarbonylContact O-C 3.54Å; S2607-S2610 PolarHBondContact O-N 2.98Å; G2608-S2610 PolarHBondContact O-N 3.03Å; G2608-S2610 VanDerWaalsContact O-N 3.09Å; S2610-T2612 PolarHBondContact O-N 3.14Å |
| 2611 | T | 94.9 | Very high | 94.8 | Very high | 105 Ų | 105 | 49 Ų | 49 | 64% | 0.644 | 29% | 0.288 | S | S | * | . | trans | -53.4 | 128.1 | -178.6 | -156 | 0 | 0 | 0 | 0 | 112.3 | P2606 S2607 G2608 | P2606-T2611 WeakPolarHBondContact O-CA 3.41Å; P2606-T2611 PolarHBondContact O-OG1 3.17Å; S2607-T2611 VanDerWaalsContact C-OG1 3.3Å; S2607-T2611 PolarHBondContact O-N 3.15Å; S2607-T2611 VanDerWaalsContact O-N 3.16Å; G2608-T2611 PolarHBondContact N-OG1 3.22Å; G2608-T2611 WeakPolarHBondContact O-CB 3.31Å; G2608-T2611 PolarHBondContact O-N 3.16Å; G2608-T2611 VanDerWaalsContact O-N 3.13Å; G2608-T2611 PolarHBondContact O-OG1 3.02Å | ||
| 2612 | T | 94.9 | Very high | 95 | Very high | 39 Ų | 39 | 47 Ų | 47 | 24% | 0.239 | 28% | 0.282 | C | S | . | . | trans | -158.6 | 146.8 | 177.3 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | I2546 N2605 P2606 S2610 S2614 V2615 | I2546-T2612 HydrophobicContact CD1-CG2 4.33Å; N2605-T2612 VanDerWaalsContact CB-O 3.32Å; N2605-T2612 WeakPolarHBondContact CB-O 3.34Å; P2606-T2612 HydrophobicContact CB-CG2 4.24Å; P2606-T2612 WeakPolarHBondContact CD-O 3.39Å; P2606-T2612 HydrophobicContact CG-CG2 3.88Å; S2610-T2612 PolarHBondContact O-N 3.14Å; T2612-S2614 PolarHBondContact OG1-N 3.05Å; T2612-S2614 VanDerWaalsContact OG1-N 3.14Å; T2612-S2614 PolarHBondContact OG1-OG 3.03Å; T2612-V2615 HydrophobicContact CG2-CB 4.07Å; T2612-V2615 HydrophobicContact CG2-CG2 3.98Å | ||
| 2613 | T | 94 | Very high | 95.1 | Very high | 117.4 Ų | 117.4 | 48 Ų | 48 | 72% | 0.72 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -90.7 | -4.4 | 173.6 | 58.8 | 0 | 0 | 0 | 0 | 113.4 | N2605 C2652 | N2605-T2613 PolarHBondContact ND2-O 2.83Å; T2613-C2652 PolarHBondContact O-SG 2.88Å; T2613-C2652 VanDerWaalsContact O-SG 3.4Å |
| 2614 | S | 94.3 | Very high | 95.3 | Very high | 90.2 Ų | 90.2 | 50 Ų | 50 | 63% | 0.631 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -82.1 | -18.3 | -176.5 | 64.1 | 0 | 0 | 0 | 0 | 114 | T2612 C2652 | T2612-S2614 PolarHBondContact OG1-N 3.05Å; T2612-S2614 VanDerWaalsContact OG1-N 3.14Å; T2612-S2614 PolarHBondContact OG1-OG 3.03Å; S2614-C2652 PolarHBondContact O-SG 3.21Å |
| 2615 | V | 95.5 | Very high | 95.5 | Very high | 31.8 Ų | 31.8 | 44.2 Ų | 44.2 | 19% | 0.193 | 28% | 0.276 | C | S | . | . | trans | -112.6 | 132.5 | -179.5 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | I2546 N2605 P2606 T2612 P2617 I2620 C2652 | I2546-V2615 HydrophobicContact CD1-CG2 4.1Å; I2546-V2615 HydrophobicContact CG1-CG2 4.44Å; N2605-V2615 PolarHBondContact ND2-O 2.93Å; P2606-V2615 WeakPolarHBondContact CD-O 3.25Å; P2606-V2615 HydrophobicContact CG-CB 3.83Å; P2606-V2615 HydrophobicContact CG-CG1 3.94Å; T2612-V2615 HydrophobicContact CG2-CB 4.07Å; T2612-V2615 HydrophobicContact CG2-CG2 3.98Å; V2615-P2617 HydrophobicContact CG1-CG 4.44Å; V2615-I2620 HydrophobicContact CG1-CD1 3.79Å; V2615-C2652 VanDerWaalsContact C-SG 3.54Å | ||
| 2616 | C | 96.2 | Very high | 95.6 | Very high | 13.4 Ų | 13.4 | 44.7 Ų | 44.7 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | trans | -124.8 | 83.3 | -179.4 | -71.7 | 0 | 0 | 0 | 0 | 111.1 | E2604 N2605 R2618 K2619 I2620 C2652 | E2604-C2616 VanDerWaalsContact O-CA 3.27Å; E2604-C2616 WeakPolarHBondContact O-CA 3.32Å; N2605-C2616 PolarHBondContact ND2-SG 3.45Å; N2605-C2616 VanDerWaalsContact ND2-SG 3.37Å; C2616-R2618 PolarHBondContact O-N 2.99Å; C2616-R2618 VanDerWaalsContact O-N 3.08Å; C2616-K2619 HydrophobicContact CB-CB 4.32Å; C2616-K2619 HydrophobicContact CB-CG 4.4Å; C2616-K2619 PolarHBondContact O-N 3.17Å; C2616-I2620 WeakPolarHBondContact O-CG1 3.37Å; C2616-I2620 PolarHBondContact O-N 3.02Å; C2616-C2652 HydrophobicContact CB-CB 4.12Å; C2616-C2652 WeakPolarHBondContact CB-SG 3.32Å; C2616-C2652 PolarHBondContact N-SG 2.99Å; C2616-C2652 VanDerWaalsContact N-SG 3.41Å; C2616-C2652 VanDerWaalsContact SG-CA 3.53Å; C2616-C2652 WeakPolarHBondContact SG-CA 3.34Å; C2616-C2652 WeakPolarHBondContact SG-CB 3.39Å; C2616-C2652 CovalentContact SG-SG 2.03Å; C2616-C2652 PolarHBondContact SG-SG 3.12Å | ||
| 2617 | P | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -51.1 | -37.7 | -172.4 | -28.8 | 35.5 | 0 | 0 | 0 | 113.9 | G2545 M2602 L2603 E2604 P2606 V2615 K2619 I2620 | G2545-P2617 WeakPolarHBondContact O-CG 3.35Å; M2602-P2617 HydrophobicContact CB-CB 4.23Å; M2602-P2617 HydrophobicContact SD-CB 4.25Å; L2603-P2617 WeakPolarHBondContact O-CB 3.31Å; L2603-P2617 VanDerWaalsContact O-CD 3.26Å; L2603-P2617 WeakPolarHBondContact O-CD 3.31Å; L2603-P2617 WeakPolarHBondContact O-CG 3.17Å; E2604-P2617 WeakPolarHBondContact O-CD 3.4Å; P2606-P2617 HydrophobicContact CG-CG 4.33Å; V2615-P2617 HydrophobicContact CG1-CG 4.44Å; P2617-K2619 PolarHBondContact O-N 2.86Å; P2617-K2619 VanDerWaalsContact O-N 3.1Å; P2617-I2620 PolarHBondContact O-N 3.01Å |
| 2618 | R | 95.7 | Very high | 96 | Very high | 55.6 Ų | 55.6 | 45.6 Ų | 45.6 | 21% | 0.21 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -57.5 | -22.4 | 175.2 | -67.8 | 180 | 179.5 | 170.8 | -5.3 | 114.7 | M2602 L2603 E2604 C2616 S2643 F2644 F2645 | M2602-R2618 HydrophobicContact CB-CB 4.45Å; M2602-R2618 HydrophobicContact CB-CG 3.83Å; M2602-R2618 VanDerWaalsContact O-CG 3.25Å; M2602-R2618 WeakPolarHBondContact O-CG 3.37Å; M2602-R2618 PolarHBondContact O-NE 3.01Å; L2603-R2618 WeakPolarHBondContact O-CG 3.34Å; L2603-R2618 PolarHBondContact O-N 3.16Å; E2604-R2618 IonicContact OE2-NH1 3.15Å; C2616-R2618 PolarHBondContact O-N 2.99Å; C2616-R2618 VanDerWaalsContact O-N 3.08Å; R2618-S2643 WeakPolarHBondContact CG-O 3.33Å; R2618-F2644 WeakPolarHBondContact O-CD2 3.46Å; R2618-F2645 CarbonylContact O-C 3.55Å; R2618-F2645 WeakPolarHBondContact O-CA 3.37Å; R2618-F2645 PolarHBondContact O-N 3.06Å; R2618-F2645 VanDerWaalsContact O-O 3.12Å |
| 2619 | K | 95.8 | Very high | 96.4 | Very high | 38.6 Ų | 38.6 | 44.4 Ų | 44.4 | 17% | 0.168 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -106 | -12.1 | -176 | -64.8 | -166.2 | 174.8 | -162.7 | 0 | 113.9 | C2616 P2617 F2645 T2647 G2650 C2652 G2653 T2654 | C2616-K2619 HydrophobicContact CB-CB 4.32Å; C2616-K2619 HydrophobicContact CB-CG 4.4Å; C2616-K2619 PolarHBondContact O-N 3.17Å; P2617-K2619 PolarHBondContact O-N 2.86Å; P2617-K2619 VanDerWaalsContact O-N 3.1Å; K2619-F2645 WeakPolarHBondContact CA-O 3.24Å; K2619-T2647 HydrophobicContact CB-CG2 4.04Å; K2619-T2647 HydrophobicContact CD-CG2 4.29Å; K2619-T2647 HydrophobicContact CG-CG2 4.25Å; K2619-T2647 PolarHBondContact O-N 3.21Å; K2619-T2647 PolarHBondContact O-OG1 2.95Å; K2619-G2650 WeakPolarHBondContact O-CA 3.28Å; K2619-C2652 WeakPolarHBondContact CE-O 3.1Å; K2619-C2652 PolarHBondContact NZ-O 3.48Å; K2619-G2653 VanDerWaalsContact NZ-C 3.33Å; K2619-T2654 PolarHBondContact NZ-O 2.92Å |
| 2620 | I | 96.9 | Very high | 96.7 | Very high | 19 Ų | 19 | 40 Ų | 40 | 10% | 0.097 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -70 | 137.7 | -174.5 | -66.3 | 176.1 | 0 | 0 | 0 | 109.5 | Q2580 P2581 N2582 V2615 C2616 P2617 L2622 F2644 | Q2580-I2620 HydrophobicContact CG-CD1 4.41Å; P2581-I2620 HydrophobicContact CG-CB 3.81Å; P2581-I2620 HydrophobicContact CG-CG2 3.97Å; P2581-I2620 WeakPolarHBondContact CG-O 3.33Å; N2582-I2620 HydrophobicContact CB-CG2 3.76Å; V2615-I2620 HydrophobicContact CG1-CD1 3.79Å; C2616-I2620 WeakPolarHBondContact O-CG1 3.37Å; C2616-I2620 PolarHBondContact O-N 3.02Å; P2617-I2620 PolarHBondContact O-N 3.01Å; I2620-L2622 PolarHBondContact O-N 3.15Å; I2620-F2644 WeakPolarHBondContact O-CE2 3.37Å |
| 2621 | P | 96.9 | Very high | 96.9 | Very high | 47.2 Ų | 47.2 | 39.9 Ų | 39.9 | 31% | 0.306 | 23% | 0.232 | S | C | . | . | P | Polyproline II helix | trans | -52.7 | 139.4 | 172.4 | -24.5 | 31.1 | 0 | 0 | 0 | 111.7 | G2623 T2647 | P2621-G2623 PolarHBondContact O-N 2.87Å; P2621-T2647 WeakPolarHBondContact CG-O 3.25Å |
| 2622 | L | 97.8 | Very high | 96.9 | Very high | 23.8 Ų | 23.8 | 35.4 Ų | 35.4 | 13% | 0.125 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 134.6 | 168.8 | -174.2 | 71 | 0 | 0 | 0 | 109 | P2581 Y2600 I2620 F2625 F2644 A2660 V2661 F2662 | P2581-L2622 HydrophobicContact CB-CD1 3.93Å; Y2600-L2622 HydrophobicContact CD1-CD1 4.22Å; Y2600-L2622 HydrophobicContact CE1-CD1 3.6Å; I2620-L2622 PolarHBondContact O-N 3.15Å; L2622-F2625 HydrophobicContact CD2-CB 4.48Å; L2622-F2644 HydrophobicContact CB-CE1 4.42Å; L2622-F2644 HydrophobicContact CB-CZ 4.22Å; L2622-F2644 HydrophobicContact CD1-CE1 4.38Å; L2622-A2660 HydrophobicContact CB-CB 3.69Å; L2622-A2660 HydrophobicContact CD2-CB 4.08Å; L2622-A2660 HydrophobicContact CG-CB 4.44Å; L2622-V2661 VanDerWaalsContact CD2-O 3.27Å; L2622-V2661 WeakPolarHBondContact CD2-O 3.31Å; L2622-F2662 HydrophobicContact CD1-CE1 4.17Å; L2622-F2662 HydrophobicContact CD1-CE2 4.34Å; L2622-F2662 HydrophobicContact CD1-CZ 3.81Å; L2622-F2662 HydrophobicContact CD2-CD1 4.39Å; L2622-F2662 HydrophobicContact CD2-CD2 3.91Å; L2622-F2662 HydrophobicContact CD2-CE1 4.27Å; L2622-F2662 HydrophobicContact CD2-CE2 3.78Å; L2622-F2662 HydrophobicContact CD2-CG 4.21Å; L2622-F2662 HydrophobicContact CD2-CZ 3.97Å |
| 2623 | G | 97.1 | Very high | 96.9 | Very high | 23 Ų | 23 | 33.6 Ų | 33.6 | 24% | 0.237 | 19% | 0.193 | C | C | . | . | trans | -69.1 | -135.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | P2581 N2583 P2621 | P2581-G2623 PolarHBondContact O-N 3.05Å; N2583-G2623 WeakPolarHBondContact O-CA 3.25Å; P2621-G2623 PolarHBondContact O-N 2.87Å | ||
| 2624 | I | 98.5 | Very high | 96.9 | Very high | 76.4 Ų | 76.4 | 28.6 Ų | 28.6 | 39% | 0.392 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122.1 | -178.8 | -63.4 | 171.9 | 0 | 0 | 0 | 108.7 | N2583 T2584 V2585 E2626 | N2583-I2624 PolarHBondContact O-N 3.28Å; N2583-I2624 VanDerWaalsContact O-N 3.12Å; T2584-I2624 CarbonylContact C-O 3.56Å; T2584-I2624 WeakPolarHBondContact CA-O 3.31Å; T2584-I2624 HydrophobicContact CG2-CB 3.97Å; T2584-I2624 HydrophobicContact CG2-CD1 4.37Å; T2584-I2624 HydrophobicContact CG2-CG2 4.28Å; V2585-I2624 PolarHBondContact N-O 2.81Å; I2624-E2626 HydrophobicContact CG2-CB 3.96Å |
| 2625 | F | 98.7 | Very high | 96.9 | Very high | 3.4 Ų | 3.4 | 27.2 Ų | 27.2 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 104.7 | 161.2 | -175.2 | -83.9 | 0 | 0 | 0 | 108.6 | V2585 F2598 Y2600 L2622 N2628 L2638 F2662 R2663 L2665 | V2585-F2625 HydrophobicContact CB-CD2 4.22Å; V2585-F2625 HydrophobicContact CG1-CD2 4.23Å; V2585-F2625 HydrophobicContact CG1-CE2 4.36Å; V2585-F2625 WeakPolarHBondContact O-CA 3.27Å; F2598-F2625 HydrophobicContact CB-CE2 4.2Å; F2598-F2625 HydrophobicContact CB-CZ 4.48Å; F2598-F2625 AromaticContact CD1-CE2 3.72Å; F2598-F2625 HydrophobicContact CD1-CE2 3.72Å; F2598-F2625 HydrophobicContact CD1-CZ 4.34Å; F2598-F2625 HydrophobicContact CD2-CE2 4.34Å; F2598-F2625 HydrophobicContact CD2-CZ 4.17Å; F2598-F2625 HydrophobicContact CE1-CE2 4.21Å; F2598-F2625 HydrophobicContact CE2-CZ 4.49Å; F2598-F2625 AromaticContact CG-CE2 3.82Å; F2598-F2625 HydrophobicContact CG-CE2 3.82Å; F2598-F2625 HydrophobicContact CG-CZ 4.09Å; Y2600-F2625 AromaticContact CE2-CD2 3.8Å; Y2600-F2625 HydrophobicContact CE2-CD2 3.8Å; Y2600-F2625 HydrophobicContact CE2-CE2 4.03Å; Y2600-F2625 AromaticContact CZ-CD2 3.92Å; Y2600-F2625 WeakPolarHBondContact OH-CD2 3.32Å; L2622-F2625 HydrophobicContact CD2-CB 4.48Å; F2625-N2628 WeakPolarHBondContact CD2-ND2 3.38Å; F2625-N2628 HydrophobicContact CE1-CB 4.36Å; F2625-N2628 HydrophobicContact CE2-CB 4.46Å; F2625-N2628 WeakPolarHBondContact CE2-ND2 3.35Å; F2625-N2628 HydrophobicContact CZ-CB 4Å; F2625-N2628 WeakPolarHBondContact CZ-ND2 3.3Å; F2625-L2638 HydrophobicContact CE1-CD2 4.32Å; F2625-L2638 HydrophobicContact CE2-CD1 4.44Å; F2625-L2638 HydrophobicContact CZ-CD1 4.44Å; F2625-L2638 HydrophobicContact CZ-CD2 4.36Å; F2625-F2662 HydrophobicContact CB-CD1 3.71Å; F2625-F2662 HydrophobicContact CB-CE1 4.21Å; F2625-F2662 HydrophobicContact CB-CG 4.42Å; F2625-F2662 HydrophobicContact CD1-CB 3.95Å; F2625-F2662 AromaticContact CD1-CD1 3.63Å; F2625-F2662 HydrophobicContact CD1-CD1 3.63Å; F2625-F2662 HydrophobicContact CD1-CG 4.26Å; F2625-F2662 AromaticContact CD2-CD1 4Å; F2625-F2662 HydrophobicContact CD2-CD1 4Å; F2625-F2662 HydrophobicContact CD2-CE1 4.3Å; F2625-F2662 HydrophobicContact CE1-CD1 4.2Å; F2625-F2662 AromaticContact CG-CD1 3.5Å; F2625-F2662 HydrophobicContact CG-CD1 3.5Å; F2625-F2662 VanDerWaalsContact CG-CD1 3.49Å; F2625-F2662 HydrophobicContact CG-CE1 4.15Å; F2625-F2662 HydrophobicContact CG-CG 4.41Å; F2625-R2663 PolarHBondContact O-N 3.15Å; F2625-L2665 HydrophobicContact CE1-CB 4.29Å; F2625-L2665 HydrophobicContact CE1-CD1 4.22Å; F2625-L2665 HydrophobicContact CZ-CD1 4.17Å |
| 2626 | E | 98.4 | Very high | 96.9 | Very high | 58.2 Ų | 58.2 | 26.3 Ų | 26.3 | 27% | 0.272 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 138.1 | -173.3 | -168.1 | 175.2 | 170.5 | 0 | 0 | 113.7 | V2585 K2586 H2587 I2624 N2628 R2663 K2664 | V2585-E2626 PolarHBondContact O-N 3.01Å; K2586-E2626 WeakPolarHBondContact CA-O 3.21Å; K2586-E2626 HydrophobicContact CB-CB 4.49Å; K2586-E2626 WeakPolarHBondContact CB-O 3.39Å; H2587-E2626 PolarHBondContact N-O 2.97Å; I2624-E2626 HydrophobicContact CG2-CB 3.96Å; E2626-N2628 VanDerWaalsContact C-N 3.31Å; E2626-N2628 PolarHBondContact O-N 3.07Å; E2626-R2663 VanDerWaalsContact CA-O 3.3Å; E2626-R2663 WeakPolarHBondContact CA-O 3.29Å; E2626-R2663 HydrophobicContact CG-CB 4.39Å; E2626-R2663 HydrophobicContact CG-CG 4.4Å; E2626-K2664 HydrophobicContact CG-CB 4.31Å; E2626-K2664 HydrophobicContact CG-CD 3.96Å; E2626-K2664 WeakPolarHBondContact OE1-CD 3.38Å; E2626-K2664 WeakPolarHBondContact OE1-CE 3.22Å; E2626-K2664 IonicContact OE1-NZ 3.45Å; E2626-K2664 PolarHBondContact OE1-NZ 3.15Å |
| 2627 | N | 98.2 | Very high | 97 | Very high | 70.4 Ų | 70.4 | 25.7 Ų | 25.7 | 38% | 0.376 | 14% | 0.135 | S | C | . | . | S | Bend | trans | 57.5 | 41.8 | 169.3 | -166 | 25.3 | 0 | 0 | 0 | 113.1 | H2587 R2663 K2664 | H2587-N2627 WeakPolarHBondContact CA-O 3.33Å; H2587-N2627 PolarHBondContact CE1-ND2 3.05Å; H2587-N2627 VanDerWaalsContact CE1-ND2 3.35Å; H2587-N2627 PolarHBondContact N-O 3.05Å; H2587-N2627 VanDerWaalsContact N-O 3.12Å; H2587-N2627 PolarHBondContact ND1-ND2 2.97Å; N2627-R2663 PolarHBondContact N-O 2.95Å; N2627-K2664 WeakPolarHBondContact CA-O 3.28Å; N2627-K2664 HydrophobicContact CB-CB 4.34Å; N2627-K2664 PolarHBondContact N-O 3.06Å |
| 2628 | N | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -95.6 | 150.6 | 173.4 | -63 | -65.2 | 0 | 0 | 0 | 109.8 | V2585 K2586 H2587 N2588 F2598 F2625 E2626 K2664 L2665 T2666 | V2585-N2628 PolarHBondContact O-ND2 2.98Å; K2586-N2628 VanDerWaalsContact C-OD1 3.29Å; K2586-N2628 WeakPolarHBondContact CA-OD1 3.41Å; H2587-N2628 PolarHBondContact N-OD1 3.19Å; N2588-N2628 WeakPolarHBondContact CB-OD1 3.33Å; N2588-N2628 PolarHBondContact N-OD1 3.01Å; N2588-N2628 PolarHBondContact ND2-OD1 3Å; N2588-N2628 CarbonylContact O-C 3.49Å; N2588-N2628 WeakPolarHBondContact O-CA 3.34Å; F2598-N2628 HydrophobicContact CE1-CB 4.26Å; F2598-N2628 HydrophobicContact CE2-CB 3.85Å; F2598-N2628 HydrophobicContact CZ-CB 3.58Å; F2625-N2628 WeakPolarHBondContact CD2-ND2 3.38Å; F2625-N2628 HydrophobicContact CE1-CB 4.36Å; F2625-N2628 HydrophobicContact CE2-CB 4.46Å; F2625-N2628 WeakPolarHBondContact CE2-ND2 3.35Å; F2625-N2628 HydrophobicContact CZ-CB 4Å; F2625-N2628 WeakPolarHBondContact CZ-ND2 3.3Å; E2626-N2628 VanDerWaalsContact C-N 3.31Å; E2626-N2628 PolarHBondContact O-N 3.07Å; N2628-K2664 PolarHBondContact N-O 2.96Å; N2628-L2665 HydrophobicContact CB-CD1 4.43Å; N2628-L2665 WeakPolarHBondContact O-CA 3.37Å; N2628-T2666 PolarHBondContact O-N 3.02Å | ||
| 2629 | T | 98.6 | Very high | 97.2 | Very high | 17.8 Ų | 17.8 | 24.3 Ų | 24.3 | 11% | 0.109 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 134.8 | 175.9 | -57.5 | 0 | 0 | 0 | 0 | 109.8 | N2588 V2589 A2590 T2666 W2668 | N2588-T2629 PolarHBondContact O-N 2.96Å; V2589-T2629 CarbonylContact C-O 3.56Å; V2589-T2629 VanDerWaalsContact CA-O 3.32Å; V2589-T2629 WeakPolarHBondContact CA-O 3.42Å; A2590-T2629 PolarHBondContact N-O 2.96Å; T2629-T2666 CarbonylContact C-O 3.49Å; T2629-T2666 VanDerWaalsContact CA-O 3.26Å; T2629-T2666 WeakPolarHBondContact CA-O 3.38Å; T2629-T2666 HydrophobicContact CG2-CG2 4.38Å; T2629-W2668 HydrophobicContact CG2-CE3 4.42Å; T2629-W2668 HydrophobicContact CG2-CH2 3.6Å; T2629-W2668 HydrophobicContact CG2-CZ3 3.34Å |
| 2630 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 124.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | A2590 F2598 A2637 L2665 T2666 A2667 W2668 N2670 | A2590-A2630 HydrophobicContact CB-CB 4.41Å; A2590-A2630 CarbonylContact O-C 3.2Å; A2590-A2630 VanDerWaalsContact O-CA 3.25Å; A2590-A2630 WeakPolarHBondContact O-CA 3.44Å; F2598-A2630 HydrophobicContact CD2-CB 4.35Å; F2598-A2630 HydrophobicContact CE2-CB 4.16Å; A2630-A2637 HydrophobicContact CB-CB 3.72Å; A2630-L2665 HydrophobicContact CB-CD1 4.49Å; A2630-T2666 PolarHBondContact N-O 3.1Å; A2630-A2667 VanDerWaalsContact O-CA 3.27Å; A2630-A2667 WeakPolarHBondContact O-CA 3.35Å; A2630-A2667 WeakPolarHBondContact O-CB 3.36Å; A2630-W2668 PolarHBondContact O-N 3.07Å; A2630-W2668 VanDerWaalsContact O-N 3.11Å; A2630-N2670 PolarHBondContact O-ND2 2.99Å |
| 2631 | H | 97.8 | Very high | 97.2 | Very high | 8.2 Ų | 8.2 | 23.8 Ų | 23.8 | 4% | 0.038 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 158 | -179.1 | 71.3 | 92.6 | 0 | 0 | 0 | 115 | S2346 E2399 A2590 A2591 S2592 N2633 W2668 N2670 | S2346-H2631 PolarHBondContact O-CE1 2.99Å; S2346-H2631 PolarHBondContact O-ND1 2.97Å; S2346-H2631 VanDerWaalsContact O-ND1 3.15Å; E2399-H2631 IonicContact OE1-NE2 3.14Å; E2399-H2631 IonicContact OE2-CE1 3.3Å; E2399-H2631 IonicContact OE2-NE2 2.95Å; E2399-H2631 PolarHBondContact OE2-NE2 2.99Å; A2590-H2631 PolarHBondContact O-N 3.09Å; A2591-H2631 WeakPolarHBondContact CA-O 3.38Å; A2591-H2631 VanDerWaalsContact CB-NE2 3.32Å; A2591-H2631 WeakPolarHBondContact CB-NE2 3.42Å; S2592-H2631 PolarHBondContact N-O 3.28Å; H2631-N2633 PolarHBondContact N-ND2 3.11Å; H2631-N2633 PolarHBondContact O-N 3.13Å; H2631-N2633 VanDerWaalsContact O-N 3.12Å; H2631-N2633 PolarHBondContact O-ND2 2.96Å; H2631-W2668 CarbonylContact C-O 3.5Å; H2631-W2668 WeakPolarHBondContact CA-O 3.38Å; H2631-W2668 HydrophobicContact CB-CD2 3.57Å; H2631-W2668 HydrophobicContact CB-CE3 4.21Å; H2631-W2668 HydrophobicContact CB-CG 3.77Å; H2631-W2668 HydrophobicContact CB-CH2 3.96Å; H2631-W2668 HydrophobicContact CB-CZ2 3.82Å; H2631-W2668 HydrophobicContact CB-CZ3 4.06Å; H2631-W2668 VanDerWaalsContact CB-NE1 3.29Å; H2631-W2668 WeakPolarHBondContact CB-O 3.36Å; H2631-W2668 AromaticContact CD2-CE2 3.93Å; H2631-W2668 AromaticContact CD2-CH2 3.27Å; H2631-W2668 WeakPolarHBondContact CD2-CH2 3.41Å; H2631-W2668 AromaticContact CD2-CZ2 3.74Å; H2631-W2668 WeakPolarHBondContact CD2-CZ2 3.33Å; H2631-W2668 AromaticContact CD2-NE1 3.8Å; H2631-W2668 AromaticContact CE1-CZ2 3.82Å; H2631-W2668 AromaticContact CG-CD2 3.98Å; H2631-W2668 AromaticContact CG-CE2 3.42Å; H2631-W2668 VanDerWaalsContact CG-CE2 3.42Å; H2631-W2668 AromaticContact CG-CH2 3.69Å; H2631-W2668 AromaticContact CG-CZ2 3.42Å; H2631-W2668 VanDerWaalsContact CG-CZ2 3.44Å; H2631-W2668 AromaticContact CG-NE1 3.59Å; H2631-W2668 AromaticContact ND1-CE2 3.81Å; H2631-W2668 AromaticContact ND1-CH2 3.78Å; H2631-W2668 AromaticContact ND1-CZ2 3.47Å; H2631-W2668 WeakPolarHBondContact ND1-CZ2 3.27Å; H2631-W2668 AromaticContact ND1-NE1 3.78Å; H2631-W2668 AromaticContact NE2-CH2 3.94Å; H2631-W2668 AromaticContact NE2-CZ2 3.57Å; H2631-N2670 VanDerWaalsContact CA-OD1 3.3Å; H2631-N2670 WeakPolarHBondContact CA-OD1 3.26Å |
| 2632 | S | 96 | Very high | 96.9 | Very high | 10 Ų | 10 | 26.2 Ų | 26.2 | 7% | 0.07 | 14% | 0.135 | C | C | . | . | S | Bend | trans | 55.2 | 26.4 | 179 | -50.6 | 0 | 0 | 0 | 0 | 112.3 | S2346 G2348 S2592 W2668 N2669 N2670 | S2346-S2632 PolarHBondContact O-OG 3.18Å; G2348-S2632 WeakPolarHBondContact O-CB 3.35Å; G2348-S2632 PolarHBondContact O-OG 3.4Å; S2592-S2632 WeakPolarHBondContact CA-O 3.33Å; S2632-W2668 PolarHBondContact N-O 3.13Å; S2632-N2669 WeakPolarHBondContact CA-O 3.41Å; S2632-N2669 PolarHBondContact N-O 2.78Å; S2632-N2670 PolarHBondContact N-OD1 3.01Å |
| 2633 | N | 95.3 | Very high | 96.7 | Very high | 1.8 Ų | 1.8 | 25.7 Ų | 25.7 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | trans | -86 | 139.7 | 175.6 | -59.7 | -70.8 | 0 | 0 | 0 | 109.5 | K2350 A2590 G2593 H2595 H2631 W2635 N2670 | K2350-N2633 WeakPolarHBondContact CB-O 3.3Å; A2590-N2633 PolarHBondContact O-ND2 2.99Å; G2593-N2633 VanDerWaalsContact CA-OD1 3.32Å; G2593-N2633 WeakPolarHBondContact CA-OD1 3.33Å; G2593-N2633 PolarHBondContact N-OD1 3.18Å; G2593-N2633 CarbonylContact O-C 3.56Å; G2593-N2633 VanDerWaalsContact O-CA 3.29Å; G2593-N2633 WeakPolarHBondContact O-CA 3.21Å; H2595-N2633 WeakPolarHBondContact O-CB 3.26Å; H2631-N2633 PolarHBondContact N-ND2 3.11Å; H2631-N2633 PolarHBondContact O-N 3.13Å; H2631-N2633 VanDerWaalsContact O-N 3.12Å; H2631-N2633 PolarHBondContact O-ND2 2.96Å; N2633-W2635 PolarHBondContact O-N 2.91Å; N2633-W2635 VanDerWaalsContact O-N 3.17Å; N2633-N2670 VanDerWaalsContact CB-OD1 3.28Å; N2633-N2670 WeakPolarHBondContact CB-OD1 3.39Å; N2633-N2670 PolarHBondContact N-OD1 2.96Å; N2633-N2670 VanDerWaalsContact N-OD1 3.12Å; N2633-N2670 PolarHBondContact ND2-OD1 3.09Å; N2633-N2670 WeakPolarHBondContact O-CA 3.35Å | ||
| 2634 | G | 92.5 | Very high | 96.7 | Very high | 12 Ų | 12 | 24.6 Ų | 24.6 | 12% | 0.124 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -58.9 | -32 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | K2350 G2593 T2594 N2671 | K2350-G2634 VanDerWaalsContact O-CA 3.23Å; K2350-G2634 WeakPolarHBondContact O-CA 3.32Å; K2350-G2634 PolarHBondContact O-N 3.49Å; G2593-G2634 PolarHBondContact O-N 2.94Å; T2594-G2634 WeakPolarHBondContact O-CA 3.34Å; G2634-N2671 WeakPolarHBondContact O-CB 3.4Å |
| 2635 | W | 94.8 | Very high | 96.6 | Very high | 59.6 Ų | 59.6 | 21.9 Ų | 21.9 | 23% | 0.226 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -117.5 | -116.4 | 177.7 | -69.2 | 25.4 | 0 | 0 | 0 | 110.4 | T2430 Q2432 V2572 H2595 F2596 N2633 N2670 N2671 K2672 | T2430-W2635 WeakPolarHBondContact O-CZ2 3.12Å; T2430-W2635 PolarHBondContact O-NE1 2.93Å; Q2432-W2635 HydrophobicContact CB-CH2 3.88Å; Q2432-W2635 HydrophobicContact CB-CZ2 3.91Å; Q2432-W2635 HydrophobicContact CG-CH2 4.26Å; V2572-W2635 HydrophobicContact CB-CZ3 4.32Å; V2572-W2635 HydrophobicContact CG1-CH2 4.04Å; V2572-W2635 HydrophobicContact CG1-CZ2 4.36Å; V2572-W2635 HydrophobicContact CG1-CZ3 3.79Å; H2595-W2635 HydrophobicContact CB-CB 4.45Å; H2595-W2635 HydrophobicContact CB-CD2 4.48Å; H2595-W2635 HydrophobicContact CB-CG 4.38Å; H2595-W2635 AromaticContact CD2-CD1 3.73Å; H2595-W2635 AromaticContact CD2-CD2 3.69Å; H2595-W2635 VanDerWaalsContact CD2-CD2 3.47Å; H2595-W2635 AromaticContact CD2-CE2 3.42Å; H2595-W2635 VanDerWaalsContact CD2-CE2 3.45Å; H2595-W2635 AromaticContact CD2-CE3 3.8Å; H2595-W2635 AromaticContact CD2-CG 3.95Å; H2595-W2635 AromaticContact CD2-CH2 3.8Å; H2595-W2635 AromaticContact CD2-CZ2 3.76Å; H2595-W2635 AromaticContact CD2-CZ3 3.94Å; H2595-W2635 AromaticContact CD2-NE1 3.55Å; H2595-W2635 PolarHBondContact CD2-NE1 3.13Å; H2595-W2635 AromaticContact NE2-CE2 3.91Å; H2595-W2635 AromaticContact NE2-CZ2 3.66Å; H2595-W2635 AromaticContact NE2-NE1 3.84Å; H2595-W2635 CarbonylContact O-C 3.53Å; H2595-W2635 WeakPolarHBondContact O-CA 3.45Å; H2595-W2635 WeakPolarHBondContact O-CB 3.38Å; H2595-W2635 PolarHBondContact O-N 3.03Å; F2596-W2635 HydrophobicContact CD1-CB 4.04Å; F2596-W2635 HydrophobicContact CE1-CB 3.87Å; F2596-W2635 HydrophobicContact CE1-CD2 4.28Å; F2596-W2635 AromaticContact CE1-CE3 3.51Å; F2596-W2635 HydrophobicContact CE1-CE3 3.51Å; F2596-W2635 VanDerWaalsContact CE1-CE3 3.48Å; F2596-W2635 HydrophobicContact CE1-CG 4.42Å; F2596-W2635 HydrophobicContact CE1-CZ3 4.34Å; F2596-W2635 HydrophobicContact CE2-CE3 4.28Å; F2596-W2635 HydrophobicContact CE2-CZ3 4.49Å; F2596-W2635 HydrophobicContact CZ-CB 4.47Å; F2596-W2635 HydrophobicContact CZ-CD2 4.23Å; F2596-W2635 AromaticContact CZ-CE3 3.29Å; F2596-W2635 HydrophobicContact CZ-CE3 3.29Å; F2596-W2635 AromaticContact CZ-CZ3 3.72Å; F2596-W2635 HydrophobicContact CZ-CZ3 3.72Å; N2633-W2635 PolarHBondContact O-N 2.91Å; N2633-W2635 VanDerWaalsContact O-N 3.17Å; W2635-N2670 WeakPolarHBondContact O-CB 3.23Å; W2635-N2671 WeakPolarHBondContact O-CA 3.32Å; W2635-N2671 WeakPolarHBondContact O-CB 3.33Å; W2635-N2671 PolarHBondContact O-N 3.14Å; W2635-K2672 PolarHBondContact O-N 3.25Å |
| 2636 | F | 96.8 | Very high | 96.4 | Very high | 14.6 Ų | 14.6 | 21.8 Ų | 21.8 | 6% | 0.064 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 144.8 | -162.9 | -42.5 | -24.9 | 0 | 0 | 0 | 111.5 | H2595 F2596 G2597 L2638 W2639 N2671 K2672 E2675 | H2595-F2636 PolarHBondContact O-N 2.85Å; F2596-F2636 CarbonylContact C-O 3.52Å; F2596-F2636 VanDerWaalsContact CA-O 3.31Å; F2596-F2636 WeakPolarHBondContact CA-O 3.44Å; F2596-F2636 HydrophobicContact CD1-CB 3.98Å; F2596-F2636 HydrophobicContact CD1-CD2 4.08Å; F2596-F2636 HydrophobicContact CD1-CG 4.13Å; F2596-F2636 HydrophobicContact CE1-CB 4.31Å; F2596-F2636 AromaticContact CE1-CD2 3.6Å; F2596-F2636 HydrophobicContact CE1-CD2 3.6Å; F2596-F2636 AromaticContact CE1-CE2 3.95Å; F2596-F2636 HydrophobicContact CE1-CE2 3.95Å; F2596-F2636 AromaticContact CE1-CG 3.95Å; F2596-F2636 HydrophobicContact CE1-CG 3.95Å; G2597-F2636 PolarHBondContact N-O 3.11Å; F2636-L2638 VanDerWaalsContact C-N 3.34Å; F2636-W2639 HydrophobicContact CD2-CB 4.01Å; F2636-W2639 AromaticContact CD2-CD1 3.52Å; F2636-W2639 VanDerWaalsContact CD2-CD1 3.49Å; F2636-W2639 HydrophobicContact CD2-CD2 4.31Å; F2636-W2639 AromaticContact CD2-CG 3.71Å; F2636-W2639 HydrophobicContact CD2-CG 3.71Å; F2636-W2639 AromaticContact CD2-NE1 3.95Å; F2636-W2639 AromaticContact CE2-CD1 3.74Å; F2636-W2639 HydrophobicContact CE2-CD2 4.4Å; F2636-W2639 HydrophobicContact CE2-CG 4.16Å; F2636-W2639 AromaticContact CE2-NE1 3.66Å; F2636-N2671 HydrophobicContact CD1-CB 4.43Å; F2636-N2671 WeakPolarHBondContact CE1-OD1 3.13Å; F2636-K2672 CarbonylContact C-O 3.51Å; F2636-K2672 WeakPolarHBondContact CA-O 3.22Å; F2636-K2672 HydrophobicContact CB-CB 4.22Å; F2636-K2672 HydrophobicContact CD1-CB 3.54Å; F2636-K2672 HydrophobicContact CD1-CD 3.66Å; F2636-K2672 HydrophobicContact CD1-CG 3.58Å; F2636-K2672 HydrophobicContact CE1-CB 4.22Å; F2636-K2672 HydrophobicContact CE1-CD 3.46Å; F2636-K2672 VanDerWaalsContact CE1-CD 3.46Å; F2636-K2672 VanDerWaalsContact CE1-CE 3.5Å; F2636-K2672 HydrophobicContact CE1-CG 3.74Å; F2636-K2672 HydrophobicContact CE2-CD 4.41Å; F2636-K2672 HydrophobicContact CG-CB 4Å; F2636-K2672 HydrophobicContact CG-CD 4.29Å; F2636-K2672 HydrophobicContact CG-CG 4.4Å; F2636-K2672 HydrophobicContact CZ-CD 3.88Å; F2636-E2675 HydrophobicContact CD2-CB 4.02Å; F2636-E2675 HydrophobicContact CE2-CB 4.3Å; F2636-E2675 HydrophobicContact CE2-CG 4.46Å; F2636-E2675 WeakPolarHBondContact CE2-OE1 3.35Å |
| 2637 | A | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | -46.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F2598 A2630 L2665 A2667 K2672 G2673 | F2598-A2637 WeakPolarHBondContact CD2-O 3.32Å; F2598-A2637 PolarHBondContact N-O 3.09Å; A2630-A2637 HydrophobicContact CB-CB 3.72Å; A2637-L2665 HydrophobicContact CB-CD2 4.3Å; A2637-A2667 HydrophobicContact CB-CB 3.42Å; A2637-A2667 VanDerWaalsContact CB-CB 3.43Å; A2637-K2672 PolarHBondContact N-O 3.11Å; A2637-G2673 PolarHBondContact N-O 3.13Å |
| 2638 | L | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 126.2 | 177.7 | 169.9 | 63.2 | 0 | 0 | 0 | 109.6 | F2598 Y2600 F2625 F2636 I2640 F2662 L2665 G2673 P2674 E2675 F2684 | F2598-L2638 HydrophobicContact CB-CD1 3.79Å; F2598-L2638 CarbonylContact O-C 3.36Å; F2598-L2638 WeakPolarHBondContact O-CA 3.38Å; Y2600-L2638 HydrophobicContact CD2-CD1 3.77Å; Y2600-L2638 HydrophobicContact CE2-CD1 4.27Å; F2625-L2638 HydrophobicContact CE1-CD2 4.32Å; F2625-L2638 HydrophobicContact CE2-CD1 4.44Å; F2625-L2638 HydrophobicContact CZ-CD1 4.44Å; F2625-L2638 HydrophobicContact CZ-CD2 4.36Å; F2636-L2638 VanDerWaalsContact C-N 3.34Å; L2638-I2640 HydrophobicContact CD1-CG1 4.34Å; L2638-I2640 HydrophobicContact CD2-CD1 4.45Å; L2638-I2640 HydrophobicContact CG-CG1 4.35Å; L2638-F2662 HydrophobicContact CD1-CD1 4.38Å; L2638-F2662 HydrophobicContact CD1-CE1 4.21Å; L2638-F2662 HydrophobicContact CD2-CB 4.18Å; L2638-F2662 HydrophobicContact CD2-CD1 3.5Å; L2638-F2662 VanDerWaalsContact CD2-CD1 3.48Å; L2638-F2662 HydrophobicContact CD2-CE1 4.05Å; L2638-F2662 HydrophobicContact CD2-CG 3.93Å; L2638-L2665 HydrophobicContact CB-CD2 3.9Å; L2638-L2665 HydrophobicContact CD2-CD2 4.42Å; L2638-G2673 PolarHBondContact N-O 3.04Å; L2638-P2674 HydrophobicContact CB-CB 4.18Å; L2638-P2674 HydrophobicContact CD2-CB 4.15Å; L2638-P2674 HydrophobicContact CG-CB 4.41Å; L2638-P2674 CarbonylContact O-C 3.54Å; L2638-P2674 VanDerWaalsContact O-CA 3.3Å; L2638-P2674 WeakPolarHBondContact O-CA 3.3Å; L2638-E2675 PolarHBondContact O-N 3.06Å; L2638-F2684 HydrophobicContact CD2-CE1 4.1Å |
| 2639 | W | 97.8 | Very high | 95.8 | Very high | 26.2 Ų | 26.2 | 26.7 Ų | 26.7 | 10% | 0.099 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122 | 175.6 | -164.3 | 33.9 | 0 | 0 | 0 | 111.4 | F2596 F2598 W2599 Y2600 F2636 H2641 E2675 | F2596-W2639 HydrophobicContact CD1-CB 3.94Å; F2596-W2639 HydrophobicContact CD1-CD2 4.38Å; F2596-W2639 HydrophobicContact CD1-CE3 4.12Å; F2596-W2639 HydrophobicContact CD1-CG 4.36Å; F2596-W2639 HydrophobicContact CD2-CE3 4.04Å; F2596-W2639 HydrophobicContact CD2-CZ3 4.45Å; F2596-W2639 HydrophobicContact CE1-CB 4.11Å; F2596-W2639 AromaticContact CE1-CD2 3.72Å; F2596-W2639 HydrophobicContact CE1-CD2 3.72Å; F2596-W2639 AromaticContact CE1-CE3 3.51Å; F2596-W2639 HydrophobicContact CE1-CE3 3.51Å; F2596-W2639 VanDerWaalsContact CE1-CE3 3.48Å; F2596-W2639 AromaticContact CE1-CG 3.98Å; F2596-W2639 HydrophobicContact CE1-CG 4.02Å; F2596-W2639 HydrophobicContact CE1-CZ3 4.12Å; F2596-W2639 HydrophobicContact CE2-CD2 4.43Å; F2596-W2639 AromaticContact CE2-CE3 3.41Å; F2596-W2639 HydrophobicContact CE2-CE3 3.41Å; F2596-W2639 VanDerWaalsContact CE2-CE3 3.44Å; F2596-W2639 AromaticContact CE2-CZ3 3.48Å; F2596-W2639 HydrophobicContact CE2-CZ3 3.48Å; F2596-W2639 VanDerWaalsContact CE2-CZ3 3.47Å; F2596-W2639 HydrophobicContact CG-CE3 4.35Å; F2596-W2639 AromaticContact CZ-CD2 3.75Å; F2596-W2639 HydrophobicContact CZ-CD2 3.75Å; F2596-W2639 AromaticContact CZ-CE3 3.1Å; F2596-W2639 HydrophobicContact CZ-CE3 3.1Å; F2596-W2639 HydrophobicContact CZ-CG 4.48Å; F2596-W2639 HydrophobicContact CZ-CH2 4.05Å; F2596-W2639 AromaticContact CZ-CZ3 3.27Å; F2596-W2639 HydrophobicContact CZ-CZ3 3.27Å; F2598-W2639 PolarHBondContact O-N 2.85Å; W2599-W2639 CarbonylContact C-O 3.54Å; W2599-W2639 WeakPolarHBondContact CA-O 3.39Å; W2599-W2639 AromaticContact CD1-CE3 3.82Å; W2599-W2639 AromaticContact CD2-CE3 3.47Å; W2599-W2639 HydrophobicContact CD2-CE3 3.47Å; W2599-W2639 VanDerWaalsContact CD2-CE3 3.45Å; W2599-W2639 AromaticContact CD2-CZ3 3.78Å; W2599-W2639 HydrophobicContact CD2-CZ3 3.78Å; W2599-W2639 AromaticContact CE2-CE3 3.37Å; W2599-W2639 AromaticContact CE2-CZ3 3.39Å; W2599-W2639 VanDerWaalsContact CE2-CZ3 3.41Å; W2599-W2639 AromaticContact CE3-CE3 3.87Å; W2599-W2639 HydrophobicContact CE3-CE3 3.87Å; W2599-W2639 AromaticContact CE3-CZ3 3.9Å; W2599-W2639 HydrophobicContact CE3-CZ3 3.9Å; W2599-W2639 HydrophobicContact CG-CB 4.45Å; W2599-W2639 AromaticContact CG-CE3 3.87Å; W2599-W2639 HydrophobicContact CG-CE3 3.87Å; W2599-W2639 HydrophobicContact CH2-CE3 4.24Å; W2599-W2639 HydrophobicContact CH2-CH2 4.37Å; W2599-W2639 AromaticContact CH2-CZ3 3.5Å; W2599-W2639 HydrophobicContact CH2-CZ3 3.5Å; W2599-W2639 VanDerWaalsContact CH2-CZ3 3.43Å; W2599-W2639 AromaticContact CZ2-CE3 3.83Å; W2599-W2639 HydrophobicContact CZ2-CE3 3.83Å; W2599-W2639 HydrophobicContact CZ2-CH2 4.1Å; W2599-W2639 AromaticContact CZ2-CZ3 3.3Å; W2599-W2639 HydrophobicContact CZ2-CZ3 3.3Å; W2599-W2639 HydrophobicContact CZ3-CE3 4.19Å; W2599-W2639 AromaticContact CZ3-CZ3 3.73Å; W2599-W2639 HydrophobicContact CZ3-CZ3 3.73Å; W2599-W2639 AromaticContact NE1-CE3 3.55Å; W2599-W2639 AromaticContact NE1-CZ3 3.93Å; Y2600-W2639 PolarHBondContact N-O 3.18Å; F2636-W2639 HydrophobicContact CD2-CB 4.01Å; F2636-W2639 AromaticContact CD2-CD1 3.52Å; F2636-W2639 VanDerWaalsContact CD2-CD1 3.49Å; F2636-W2639 HydrophobicContact CD2-CD2 4.31Å; F2636-W2639 AromaticContact CD2-CG 3.71Å; F2636-W2639 HydrophobicContact CD2-CG 3.71Å; F2636-W2639 AromaticContact CD2-NE1 3.95Å; F2636-W2639 AromaticContact CE2-CD1 3.74Å; F2636-W2639 HydrophobicContact CE2-CD2 4.4Å; F2636-W2639 HydrophobicContact CE2-CG 4.16Å; F2636-W2639 AromaticContact CE2-NE1 3.66Å; W2639-H2641 HydrophobicContact CD2-CB 3.67Å; W2639-H2641 AromaticContact CE2-CD2 3.91Å; W2639-H2641 AromaticContact CE2-CG 3.68Å; W2639-H2641 HydrophobicContact CE3-CB 4.17Å; W2639-H2641 HydrophobicContact CG-CB 4.15Å; W2639-H2641 HydrophobicContact CH2-CB 4.1Å; W2639-H2641 AromaticContact CH2-CD2 3.78Å; W2639-H2641 AromaticContact CH2-CE1 3.85Å; W2639-H2641 AromaticContact CH2-CG 3.69Å; W2639-H2641 AromaticContact CH2-ND1 3.61Å; W2639-H2641 WeakPolarHBondContact CH2-ND1 3.17Å; W2639-H2641 AromaticContact CH2-NE2 3.97Å; W2639-H2641 HydrophobicContact CZ2-CB 3.6Å; W2639-H2641 AromaticContact CZ2-CD2 3.43Å; W2639-H2641 VanDerWaalsContact CZ2-CD2 3.45Å; W2639-H2641 WeakPolarHBondContact CZ2-CD2 3.43Å; W2639-H2641 AromaticContact CZ2-CE1 3.9Å; W2639-H2641 AromaticContact CZ2-CG 3.33Å; W2639-H2641 AromaticContact CZ2-ND1 3.76Å; W2639-H2641 WeakPolarHBondContact CZ2-ND1 3.05Å; W2639-H2641 AromaticContact CZ2-NE2 3.86Å; W2639-H2641 HydrophobicContact CZ3-CB 4.37Å; W2639-E2675 PolarHBondContact NE1-OE1 3.17Å |
| 2640 | I | 97.9 | Very high | 95.5 | Very high | 0.6 Ų | 0.6 | 26.4 Ų | 26.4 | 0% | 0.003 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 97.9 | 174.8 | -55.7 | 167.9 | 0 | 0 | 0 | 107.3 | M2602 L2638 F2644 F2662 E2675 V2677 V2682 F2684 | M2602-I2640 HydrophobicContact CE-CG2 3.86Å; L2638-I2640 HydrophobicContact CD1-CG1 4.34Å; L2638-I2640 HydrophobicContact CD2-CD1 4.45Å; L2638-I2640 HydrophobicContact CG-CG1 4.35Å; I2640-F2644 HydrophobicContact CG2-CB 3.81Å; I2640-F2644 HydrophobicContact CG2-CD1 4.25Å; I2640-F2644 HydrophobicContact CG2-CG 4.49Å; I2640-F2662 HydrophobicContact CD1-CD2 3.97Å; I2640-F2662 HydrophobicContact CD1-CE1 4.22Å; I2640-F2662 HydrophobicContact CD1-CE2 3.44Å; I2640-F2662 VanDerWaalsContact CD1-CE2 3.44Å; I2640-F2662 HydrophobicContact CD1-CZ 3.59Å; I2640-F2662 HydrophobicContact CG1-CE2 4.42Å; I2640-F2662 HydrophobicContact CG1-CZ 4.12Å; I2640-E2675 PolarHBondContact N-O 2.91Å; I2640-V2677 PolarHBondContact O-N 2.86Å; I2640-V2677 VanDerWaalsContact O-N 3.08Å; I2640-V2682 HydrophobicContact CD1-CG1 3.91Å; I2640-F2684 HydrophobicContact CD1-CE1 3.97Å; I2640-F2684 HydrophobicContact CD1-CZ 4.05Å |
| 2641 | H | 93.5 | Very high | 95.3 | Very high | 45.6 Ų | 45.6 | 30.4 Ų | 30.4 | 21% | 0.211 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 134.3 | -172 | 173 | -88.9 | 0 | 0 | 0 | 111.8 | W2599 Y2600 R2601 W2639 V2677 | W2599-H2641 PolarHBondContact NE1-O 3Å; Y2600-H2641 PolarHBondContact O-N 3.16Å; Y2600-H2641 VanDerWaalsContact O-N 3.14Å; R2601-H2641 VanDerWaalsContact CA-O 3.29Å; R2601-H2641 WeakPolarHBondContact CA-O 3.32Å; R2601-H2641 VanDerWaalsContact CG-O 3.3Å; R2601-H2641 WeakPolarHBondContact CG-O 3.37Å; W2639-H2641 HydrophobicContact CD2-CB 3.67Å; W2639-H2641 AromaticContact CE2-CD2 3.91Å; W2639-H2641 AromaticContact CE2-CG 3.68Å; W2639-H2641 HydrophobicContact CE3-CB 4.17Å; W2639-H2641 HydrophobicContact CG-CB 4.15Å; W2639-H2641 HydrophobicContact CH2-CB 4.1Å; W2639-H2641 AromaticContact CH2-CD2 3.78Å; W2639-H2641 AromaticContact CH2-CE1 3.85Å; W2639-H2641 AromaticContact CH2-CG 3.69Å; W2639-H2641 AromaticContact CH2-ND1 3.61Å; W2639-H2641 WeakPolarHBondContact CH2-ND1 3.17Å; W2639-H2641 AromaticContact CH2-NE2 3.97Å; W2639-H2641 HydrophobicContact CZ2-CB 3.6Å; W2639-H2641 AromaticContact CZ2-CD2 3.43Å; W2639-H2641 VanDerWaalsContact CZ2-CD2 3.45Å; W2639-H2641 WeakPolarHBondContact CZ2-CD2 3.43Å; W2639-H2641 AromaticContact CZ2-CE1 3.9Å; W2639-H2641 AromaticContact CZ2-CG 3.33Å; W2639-H2641 AromaticContact CZ2-ND1 3.76Å; W2639-H2641 WeakPolarHBondContact CZ2-ND1 3.05Å; W2639-H2641 AromaticContact CZ2-NE2 3.86Å; W2639-H2641 HydrophobicContact CZ3-CB 4.37Å; H2641-V2677 HydrophobicContact CB-CB 4.49Å; H2641-V2677 HydrophobicContact CB-CG2 4.09Å |
| 2642 | E | 90.4 | Very high | 95 | Very high | 99.4 Ų | 99.4 | 32 Ų | 32 | 46% | 0.464 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | cis | -89.9 | -38.7 | 6 | -91 | -176.9 | -169.7 | 0 | 0 | 114.3 | V2677 N2678 | E2642-V2677 HydrophobicContact CG-CG1 4.06Å; E2642-N2678 WeakPolarHBondContact CG-ND2 3.42Å; E2642-N2678 VanDerWaalsContact O-CB 3.31Å; E2642-N2678 WeakPolarHBondContact O-CB 3.38Å; E2642-N2678 PolarHBondContact O-N 3.07Å; E2642-N2678 VanDerWaalsContact O-N 3.12Å; E2642-N2678 PolarHBondContact O-ND2 3.13Å; E2642-N2678 PolarHBondContact OE1-ND2 3.07Å |
| 2643 | S | 95.6 | Very high | 94.7 | Very high | 12.4 Ų | 12.4 | 34.5 Ų | 34.5 | 9% | 0.087 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 135.4 | -166.8 | -66 | 0 | 0 | 0 | 0 | 112.1 | M2602 R2618 N2678 | M2602-S2643 VanDerWaalsContact CE-O 3.3Å; M2602-S2643 WeakPolarHBondContact CE-O 3.21Å; R2618-S2643 WeakPolarHBondContact CG-O 3.33Å; S2643-N2678 CarbonylContact C-O 3.47Å; S2643-N2678 VanDerWaalsContact CA-O 3.25Å; S2643-N2678 WeakPolarHBondContact CA-O 3.35Å; S2643-N2678 WeakPolarHBondContact OG-CB 3.25Å; S2643-N2678 PolarHBondContact OG-ND2 2.91Å |
| 2644 | F | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 114.8 | 172.8 | -171.2 | -150.2 | 0 | 0 | 0 | 111.9 | P2581 M2602 R2618 I2620 L2622 I2640 P2646 A2660 F2662 N2678 C2679 G2680 V2682 | P2581-F2644 HydrophobicContact CB-CE1 4.45Å; P2581-F2644 HydrophobicContact CB-CE2 3.99Å; P2581-F2644 HydrophobicContact CB-CZ 3.67Å; P2581-F2644 HydrophobicContact CG-CE2 3.84Å; P2581-F2644 HydrophobicContact CG-CZ 4Å; M2602-F2644 HydrophobicContact CE-CB 3.69Å; M2602-F2644 HydrophobicContact CE-CD2 4.5Å; M2602-F2644 HydrophobicContact CE-CG 4.08Å; M2602-F2644 HydrophobicContact CG-CD2 4Å; M2602-F2644 HydrophobicContact CG-CE2 4.44Å; M2602-F2644 HydrophobicContact CG-CG 4.32Å; M2602-F2644 HydrophobicContact SD-CD2 4.35Å; M2602-F2644 HydrophobicContact SD-CG 4.25Å; R2618-F2644 WeakPolarHBondContact O-CD2 3.46Å; I2620-F2644 WeakPolarHBondContact O-CE2 3.37Å; L2622-F2644 HydrophobicContact CB-CE1 4.42Å; L2622-F2644 HydrophobicContact CB-CZ 4.22Å; L2622-F2644 HydrophobicContact CD1-CE1 4.38Å; I2640-F2644 HydrophobicContact CG2-CB 3.81Å; I2640-F2644 HydrophobicContact CG2-CD1 4.25Å; I2640-F2644 HydrophobicContact CG2-CG 4.49Å; F2644-P2646 HydrophobicContact CE2-CB 4.17Å; F2644-P2646 HydrophobicContact CE2-CG 4.45Å; F2644-P2646 HydrophobicContact CZ-CB 4.13Å; F2644-P2646 HydrophobicContact CZ-CG 4.39Å; F2644-P2646 WeakPolarHBondContact O-CD 3.25Å; F2644-A2660 HydrophobicContact CD1-CB 4.27Å; F2644-A2660 HydrophobicContact CE1-CB 3.4Å; F2644-A2660 VanDerWaalsContact CE1-CB 3.41Å; F2644-A2660 HydrophobicContact CZ-CB 3.84Å; F2644-F2662 HydrophobicContact CD1-CE2 4.49Å; F2644-F2662 HydrophobicContact CE1-CE2 4.21Å; F2644-F2662 HydrophobicContact CE1-CZ 4.37Å; F2644-N2678 PolarHBondContact N-O 2.85Å; F2644-C2679 CarbonylContact O-C 3.54Å; F2644-C2679 WeakPolarHBondContact O-CA 3.27Å; F2644-G2680 PolarHBondContact O-N 3.12Å; F2644-G2680 VanDerWaalsContact O-N 3.14Å; F2644-V2682 HydrophobicContact CD1-CG2 3.83Å; F2644-V2682 HydrophobicContact CE1-CG2 4.49Å; F2644-V2682 HydrophobicContact CG-CG2 4.49Å |
| 2645 | F | 95.3 | Very high | 94.4 | Very high | 20 Ų | 20 | 39.8 Ų | 39.8 | 9% | 0.088 | 23% | 0.226 | C | C | . | . | trans | -128.8 | 67.6 | -174.3 | -45.4 | -54.1 | 0 | 0 | 0 | 110 | R2618 K2619 T2647 W2657 N2678 M2703 N2704 | R2618-F2645 CarbonylContact O-C 3.55Å; R2618-F2645 WeakPolarHBondContact O-CA 3.37Å; R2618-F2645 PolarHBondContact O-N 3.06Å; R2618-F2645 VanDerWaalsContact O-O 3.12Å; K2619-F2645 WeakPolarHBondContact CA-O 3.24Å; F2645-T2647 PolarHBondContact O-N 3.03Å; F2645-W2657 HydrophobicContact CB-CE3 4.29Å; F2645-W2657 HydrophobicContact CB-CZ3 3.9Å; F2645-N2678 HydrophobicContact CE1-CB 4.3Å; F2645-N2678 VanDerWaalsContact CE1-O 3.25Å; F2645-N2678 WeakPolarHBondContact CE1-O 3.34Å; F2645-N2678 HydrophobicContact CZ-CB 4.08Å; F2645-M2703 WeakPolarHBondContact CD1-O 3.32Å; F2645-M2703 HydrophobicContact CE1-CB 3.78Å; F2645-M2703 HydrophobicContact CZ-CB 4.23Å; F2645-N2704 HydrophobicContact CB-CB 4.14Å; F2645-N2704 HydrophobicContact CD1-CB 3.88Å; F2645-N2704 HydrophobicContact CD2-CB 4.44Å; F2645-N2704 HydrophobicContact CE1-CB 4.46Å; F2645-N2704 HydrophobicContact CG-CB 3.9Å | ||
| 2646 | P | 95.3 | Very high | 94.4 | Very high | 1.2 Ų | 1.2 | 44.2 Ų | 44.2 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | trans | -53.5 | 141.4 | -176.5 | 22.7 | -35.7 | 0 | 0 | 0 | 112.4 | F2644 D2658 A2660 G2680 | F2644-P2646 HydrophobicContact CE2-CB 4.17Å; F2644-P2646 HydrophobicContact CE2-CG 4.45Å; F2644-P2646 HydrophobicContact CZ-CB 4.13Å; F2644-P2646 HydrophobicContact CZ-CG 4.39Å; F2644-P2646 WeakPolarHBondContact O-CD 3.25Å; P2646-D2658 VanDerWaalsContact CG-O 3.3Å; P2646-D2658 WeakPolarHBondContact CG-O 3.29Å; P2646-D2658 PolarHBondContact O-N 3.01Å; P2646-A2660 HydrophobicContact CB-CB 4.11Å; P2646-A2660 HydrophobicContact CG-CB 3.68Å; P2646-G2680 WeakPolarHBondContact CD-O 3.37Å; P2646-G2680 WeakPolarHBondContact CG-O 3.46Å | ||
| 2647 | T | 96.2 | Very high | 94.2 | Very high | 0.4 Ų | 0.4 | 45.6 Ų | 45.6 | 0% | 0.002 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -128.4 | 159.2 | 177.2 | 66.5 | 0 | 0 | 0 | 0 | 109.6 | K2619 P2621 F2645 T2649 G2650 T2654 K2656 W2657 | K2619-T2647 HydrophobicContact CB-CG2 4.04Å; K2619-T2647 HydrophobicContact CD-CG2 4.29Å; K2619-T2647 HydrophobicContact CG-CG2 4.25Å; K2619-T2647 PolarHBondContact O-N 3.21Å; K2619-T2647 PolarHBondContact O-OG1 2.95Å; P2621-T2647 WeakPolarHBondContact CG-O 3.25Å; F2645-T2647 PolarHBondContact O-N 3.03Å; T2647-T2649 PolarHBondContact O-N 3Å; T2647-T2649 VanDerWaalsContact O-N 3.1Å; T2647-G2650 WeakPolarHBondContact OG1-CA 3.39Å; T2647-G2650 PolarHBondContact OG1-N 2.97Å; T2647-G2650 VanDerWaalsContact OG1-N 3.07Å; T2647-T2654 VanDerWaalsContact CB-CG2 3.48Å; T2647-T2654 HydrophobicContact CG2-CG2 3.63Å; T2647-T2654 VanDerWaalsContact OG1-CG2 3.24Å; T2647-T2654 WeakPolarHBondContact OG1-CG2 3.37Å; T2647-K2656 VanDerWaalsContact CA-O 3.3Å; T2647-K2656 WeakPolarHBondContact CA-O 3.32Å; T2647-K2656 WeakPolarHBondContact CB-O 3.24Å; T2647-W2657 HydrophobicContact CG2-CE3 3.65Å; T2647-W2657 HydrophobicContact CG2-CZ3 3.76Å |
| 2648 | K | 93.7 | Very high | 94.1 | Very high | 144 Ų | 144 | 47.5 Ų | 47.5 | 63% | 0.626 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -57.9 | -27.4 | -176.8 | -133.2 | 179.1 | 179.5 | 177.6 | 0 | 114.7 | K2656 D2658 | K2648-K2656 PolarHBondContact N-O 3.04Å; K2648-K2656 VanDerWaalsContact N-O 3.1Å; K2648-D2658 HydrophobicContact CB-CB 4.37Å; K2648-D2658 HydrophobicContact CG-CB 3.83Å |
| 2649 | T | 92.6 | Very high | 93.9 | Very high | 87.2 Ų | 87.2 | 51.5 Ų | 51.5 | 54% | 0.535 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -120.5 | -14.6 | -172.4 | 61.8 | 0 | 0 | 0 | 0 | 114.5 | T2647 T2651 | T2647-T2649 PolarHBondContact O-N 3Å; T2647-T2649 VanDerWaalsContact O-N 3.1Å; T2649-T2651 PolarHBondContact O-N 2.87Å; T2649-T2651 PolarHBondContact OG1-N 3.17Å; T2649-T2651 PolarHBondContact OG1-OG1 3.35Å |
| 2650 | G | 93 | Very high | 93.9 | Very high | 11 Ų | 11 | 50.3 Ų | 50.3 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | trans | 74.1 | -1.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | K2619 T2647 C2652 | K2619-G2650 WeakPolarHBondContact O-CA 3.28Å; T2647-G2650 WeakPolarHBondContact OG1-CA 3.39Å; T2647-G2650 PolarHBondContact OG1-N 2.97Å; T2647-G2650 VanDerWaalsContact OG1-N 3.07Å; G2650-C2652 PolarHBondContact O-N 3.03Å | ||
| 2651 | T | 93.2 | Very high | 93.9 | Very high | 84.4 Ų | 84.4 | 51.6 Ų | 51.6 | 52% | 0.518 | 28% | 0.283 | S | S | . | . | trans | -67.3 | 133.1 | -176 | -46.2 | 0 | 0 | 0 | 0 | 111.7 | T2649 G2653 T2654 | T2649-T2651 PolarHBondContact O-N 2.87Å; T2649-T2651 PolarHBondContact OG1-N 3.17Å; T2649-T2651 PolarHBondContact OG1-OG1 3.35Å; T2651-G2653 PolarHBondContact O-N 2.86Å; T2651-T2654 WeakPolarHBondContact O-CG2 3.37Å; T2651-T2654 PolarHBondContact O-N 3.14Å | ||
| 2652 | C | 92.4 | Very high | 94.2 | Very high | 40.6 Ų | 40.6 | 49.4 Ų | 49.4 | 27% | 0.274 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 135.5 | 175.1 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | T2613 S2614 V2615 C2616 K2619 G2650 T2654 | T2613-C2652 PolarHBondContact O-SG 2.88Å; T2613-C2652 VanDerWaalsContact O-SG 3.4Å; S2614-C2652 PolarHBondContact O-SG 3.21Å; V2615-C2652 VanDerWaalsContact C-SG 3.54Å; C2616-C2652 HydrophobicContact CB-CB 4.12Å; C2616-C2652 WeakPolarHBondContact CB-SG 3.32Å; C2616-C2652 PolarHBondContact N-SG 2.99Å; C2616-C2652 VanDerWaalsContact N-SG 3.41Å; C2616-C2652 VanDerWaalsContact SG-CA 3.53Å; C2616-C2652 WeakPolarHBondContact SG-CA 3.34Å; C2616-C2652 WeakPolarHBondContact SG-CB 3.39Å; C2616-C2652 CovalentContact SG-SG 2.03Å; C2616-C2652 PolarHBondContact SG-SG 3.12Å; K2619-C2652 WeakPolarHBondContact CE-O 3.1Å; K2619-C2652 PolarHBondContact NZ-O 3.48Å; G2650-C2652 PolarHBondContact O-N 3.03Å; C2652-T2654 VanDerWaalsContact C-N 3.29Å; C2652-T2654 PolarHBondContact O-N 3.12Å; C2652-T2654 VanDerWaalsContact O-N 3.14Å |
| 2653 | G | 89.6 | Confident | 94.5 | Very high | 64.2 Ų | 64.2 | 49 Ų | 49 | 66% | 0.662 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | -17.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | K2619 T2651 | K2619-G2653 VanDerWaalsContact NZ-C 3.33Å; T2651-G2653 PolarHBondContact O-N 2.86Å |
| 2654 | T | 91.5 | Very high | 94.6 | Very high | 27.6 Ų | 27.6 | 52.4 Ų | 52.4 | 17% | 0.169 | 28% | 0.28 | C | S | . | . | trans | -66.5 | 144.9 | -179.8 | -168.3 | 0 | 0 | 0 | 0 | 112.4 | K2619 T2647 T2651 C2652 K2656 | K2619-T2654 PolarHBondContact NZ-O 2.92Å; T2647-T2654 VanDerWaalsContact CB-CG2 3.48Å; T2647-T2654 HydrophobicContact CG2-CG2 3.63Å; T2647-T2654 VanDerWaalsContact OG1-CG2 3.24Å; T2647-T2654 WeakPolarHBondContact OG1-CG2 3.37Å; T2651-T2654 WeakPolarHBondContact O-CG2 3.37Å; T2651-T2654 PolarHBondContact O-N 3.14Å; C2652-T2654 VanDerWaalsContact C-N 3.29Å; C2652-T2654 PolarHBondContact O-N 3.12Å; C2652-T2654 VanDerWaalsContact O-N 3.14Å; T2654-K2656 PolarHBondContact OG1-N 3.27Å; T2654-K2656 VanDerWaalsContact OG1-N 3.16Å | ||
| 2655 | T | 89.8 | Confident | 94.7 | Very high | 96.6 Ų | 96.6 | 52.4 Ų | 52.4 | 59% | 0.593 | 28% | 0.28 | S | S | * | . | trans | -118.5 | 14.6 | 174.7 | 55.5 | 0 | 0 | 0 | 0 | 111.8 | W2657 | T2655-W2657 VanDerWaalsContact C-N 3.3Å; T2655-W2657 HydrophobicContact CG2-CH2 4.29Å; T2655-W2657 HydrophobicContact CG2-CZ2 3.92Å; T2655-W2657 PolarHBondContact O-N 2.96Å; T2655-W2657 PolarHBondContact O-NE1 3.32Å | ||
| 2656 | K | 93.6 | Very high | 94.9 | Very high | 152.6 Ų | 152.6 | 52.8 Ų | 52.8 | 66% | 0.663 | 28% | 0.284 | S | S | * | . | trans | -78.5 | 77.7 | 171 | -66.3 | -175.5 | 179.9 | 179.4 | 0 | 109.3 | T2647 K2648 T2654 | T2647-K2656 VanDerWaalsContact CA-O 3.3Å; T2647-K2656 WeakPolarHBondContact CA-O 3.32Å; T2647-K2656 WeakPolarHBondContact CB-O 3.24Å; K2648-K2656 PolarHBondContact N-O 3.04Å; K2648-K2656 VanDerWaalsContact N-O 3.1Å; T2654-K2656 PolarHBondContact OG1-N 3.27Å; T2654-K2656 VanDerWaalsContact OG1-N 3.16Å | ||
| 2657 | W | 94.1 | Very high | 95 | Very high | 44 Ų | 44 | 52.8 Ų | 52.8 | 17% | 0.167 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -58.5 | 144.2 | 179.8 | -47.2 | 122.8 | 0 | 0 | 0 | 111.5 | F2645 T2647 T2655 N2704 N2706 | F2645-W2657 HydrophobicContact CB-CE3 4.29Å; F2645-W2657 HydrophobicContact CB-CZ3 3.9Å; T2647-W2657 HydrophobicContact CG2-CE3 3.65Å; T2647-W2657 HydrophobicContact CG2-CZ3 3.76Å; T2655-W2657 VanDerWaalsContact C-N 3.3Å; T2655-W2657 HydrophobicContact CG2-CH2 4.29Å; T2655-W2657 HydrophobicContact CG2-CZ2 3.92Å; T2655-W2657 PolarHBondContact O-N 2.96Å; T2655-W2657 PolarHBondContact O-NE1 3.32Å; W2657-N2704 HydrophobicContact CD2-CB 4.37Å; W2657-N2704 VanDerWaalsContact CD2-O 3.25Å; W2657-N2704 HydrophobicContact CE3-CB 4.37Å; W2657-N2704 VanDerWaalsContact CE3-O 3.32Å; W2657-N2704 HydrophobicContact CH2-CB 3.7Å; W2657-N2704 HydrophobicContact CZ2-CB 3.65Å; W2657-N2704 HydrophobicContact CZ3-CB 4.07Å; W2657-N2706 PolarHBondContact O-ND2 3.06Å; W2657-N2706 VanDerWaalsContact O-ND2 3.13Å |
| 2658 | D | 95.4 | Very high | 95.1 | Very high | 40.4 Ų | 40.4 | 53.4 Ų | 53.4 | 22% | 0.216 | 29% | 0.286 | C | S | . | . | trans | -139.6 | 177.3 | 177.1 | -157.4 | -5 | 0 | 0 | 0 | 109.4 | P2646 K2648 T2712 | P2646-D2658 VanDerWaalsContact CG-O 3.3Å; P2646-D2658 WeakPolarHBondContact CG-O 3.29Å; P2646-D2658 PolarHBondContact O-N 3.01Å; K2648-D2658 HydrophobicContact CB-CB 4.37Å; K2648-D2658 HydrophobicContact CG-CB 3.83Å; D2658-T2712 CarbonylContact C-O 3.59Å | ||
| 2659 | K | 95.2 | Very high | 95.1 | Very high | 83 Ų | 83 | 47.6 Ų | 47.6 | 36% | 0.361 | 26% | 0.262 | S | S | . | . | trans | -85.6 | 155.2 | 178.7 | 59.6 | 172.3 | 174.9 | -85.8 | 0 | 114 | V2661 G2681 Q2683 T2711 | K2659-V2661 HydrophobicContact CB-CG2 4.38Å; K2659-V2661 HydrophobicContact CD-CG2 3.53Å; K2659-V2661 HydrophobicContact CG-CG2 4.14Å; K2659-G2681 CarbonylContact C-O 3.54Å; K2659-G2681 WeakPolarHBondContact CA-O 3.37Å; K2659-G2681 WeakPolarHBondContact CB-O 3.41Å; K2659-Q2683 HydrophobicContact CB-CG 4.23Å; K2659-T2711 VanDerWaalsContact CD-O 3.24Å; K2659-T2711 WeakPolarHBondContact CD-O 3.42Å; K2659-T2711 WeakPolarHBondContact CG-O 3.35Å; K2659-T2711 PolarHBondContact NZ-O 2.97Å | ||
| 2660 | A | 97.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 112.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L2622 F2644 P2646 F2662 G2681 V2682 Q2683 | L2622-A2660 HydrophobicContact CB-CB 3.69Å; L2622-A2660 HydrophobicContact CD2-CB 4.08Å; L2622-A2660 HydrophobicContact CG-CB 4.44Å; F2644-A2660 HydrophobicContact CD1-CB 4.27Å; F2644-A2660 HydrophobicContact CE1-CB 3.4Å; F2644-A2660 VanDerWaalsContact CE1-CB 3.41Å; F2644-A2660 HydrophobicContact CZ-CB 3.84Å; P2646-A2660 HydrophobicContact CB-CB 4.11Å; P2646-A2660 HydrophobicContact CG-CB 3.68Å; A2660-F2662 HydrophobicContact CB-CE2 4.4Å; A2660-G2681 PolarHBondContact N-O 2.86Å; A2660-V2682 HydrophobicContact CB-CG2 4.47Å; A2660-V2682 WeakPolarHBondContact O-CA 3.35Å; A2660-Q2683 PolarHBondContact O-N 2.87Å |
| 2661 | V | 97.9 | Very high | 95.4 | Very high | 28.2 Ų | 28.2 | 44 Ų | 44 | 17% | 0.171 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 111.5 | -173.5 | -169.5 | 0 | 0 | 0 | 0 | 110.8 | L2622 K2659 R2663 Q2683 E2685 | L2622-V2661 VanDerWaalsContact CD2-O 3.27Å; L2622-V2661 WeakPolarHBondContact CD2-O 3.31Å; K2659-V2661 HydrophobicContact CB-CG2 4.38Å; K2659-V2661 HydrophobicContact CD-CG2 3.53Å; K2659-V2661 HydrophobicContact CG-CG2 4.14Å; V2661-R2663 HydrophobicContact CG1-CB 4.19Å; V2661-R2663 HydrophobicContact CG1-CG 3.78Å; V2661-Q2683 HydrophobicContact CG1-CB 4.27Å; V2661-Q2683 HydrophobicContact CG2-CB 4.37Å; V2661-E2685 HydrophobicContact CG1-CB 4.09Å; V2661-E2685 HydrophobicContact CG1-CG 3.79Å; V2661-E2685 WeakPolarHBondContact CG1-OE2 3.3Å |
| 2662 | F | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 115.3 | 166.8 | -66.2 | -100.2 | 0 | 0 | 0 | 107.7 | Y2600 L2622 F2625 L2638 I2640 F2644 A2660 V2682 Q2683 F2684 E2685 M2687 | Y2600-F2662 AromaticContact CD1-CE1 3.9Å; Y2600-F2662 HydrophobicContact CD1-CE1 3.96Å; Y2600-F2662 AromaticContact CD1-CZ 3.86Å; Y2600-F2662 HydrophobicContact CD1-CZ 3.9Å; Y2600-F2662 AromaticContact CD2-CE1 3.96Å; Y2600-F2662 HydrophobicContact CD2-CE1 3.96Å; Y2600-F2662 HydrophobicContact CD2-CZ 4.4Å; Y2600-F2662 AromaticContact CE1-CE1 3.87Å; Y2600-F2662 HydrophobicContact CE1-CE1 3.91Å; Y2600-F2662 HydrophobicContact CE1-CZ 4.14Å; Y2600-F2662 AromaticContact CE2-CE1 3.88Å; Y2600-F2662 HydrophobicContact CE2-CE1 3.88Å; Y2600-F2662 AromaticContact CG-CE1 3.97Å; Y2600-F2662 HydrophobicContact CG-CE1 4.01Å; Y2600-F2662 HydrophobicContact CG-CZ 4.14Å; Y2600-F2662 AromaticContact CZ-CE1 3.88Å; L2622-F2662 HydrophobicContact CD1-CE1 4.17Å; L2622-F2662 HydrophobicContact CD1-CE2 4.34Å; L2622-F2662 HydrophobicContact CD1-CZ 3.81Å; L2622-F2662 HydrophobicContact CD2-CD1 4.39Å; L2622-F2662 HydrophobicContact CD2-CD2 3.91Å; L2622-F2662 HydrophobicContact CD2-CE1 4.27Å; L2622-F2662 HydrophobicContact CD2-CE2 3.78Å; L2622-F2662 HydrophobicContact CD2-CG 4.21Å; L2622-F2662 HydrophobicContact CD2-CZ 3.97Å; F2625-F2662 HydrophobicContact CB-CD1 3.71Å; F2625-F2662 HydrophobicContact CB-CE1 4.21Å; F2625-F2662 HydrophobicContact CB-CG 4.42Å; F2625-F2662 HydrophobicContact CD1-CB 3.95Å; F2625-F2662 AromaticContact CD1-CD1 3.63Å; F2625-F2662 HydrophobicContact CD1-CD1 3.63Å; F2625-F2662 HydrophobicContact CD1-CG 4.26Å; F2625-F2662 AromaticContact CD2-CD1 4Å; F2625-F2662 HydrophobicContact CD2-CD1 4Å; F2625-F2662 HydrophobicContact CD2-CE1 4.3Å; F2625-F2662 HydrophobicContact CE1-CD1 4.2Å; F2625-F2662 AromaticContact CG-CD1 3.5Å; F2625-F2662 HydrophobicContact CG-CD1 3.5Å; F2625-F2662 VanDerWaalsContact CG-CD1 3.49Å; F2625-F2662 HydrophobicContact CG-CE1 4.15Å; F2625-F2662 HydrophobicContact CG-CG 4.41Å; L2638-F2662 HydrophobicContact CD1-CD1 4.38Å; L2638-F2662 HydrophobicContact CD1-CE1 4.21Å; L2638-F2662 HydrophobicContact CD2-CB 4.18Å; L2638-F2662 HydrophobicContact CD2-CD1 3.5Å; L2638-F2662 VanDerWaalsContact CD2-CD1 3.48Å; L2638-F2662 HydrophobicContact CD2-CE1 4.05Å; L2638-F2662 HydrophobicContact CD2-CG 3.93Å; I2640-F2662 HydrophobicContact CD1-CD2 3.97Å; I2640-F2662 HydrophobicContact CD1-CE1 4.22Å; I2640-F2662 HydrophobicContact CD1-CE2 3.44Å; I2640-F2662 VanDerWaalsContact CD1-CE2 3.44Å; I2640-F2662 HydrophobicContact CD1-CZ 3.59Å; I2640-F2662 HydrophobicContact CG1-CE2 4.42Å; I2640-F2662 HydrophobicContact CG1-CZ 4.12Å; F2644-F2662 HydrophobicContact CD1-CE2 4.49Å; F2644-F2662 HydrophobicContact CE1-CE2 4.21Å; F2644-F2662 HydrophobicContact CE1-CZ 4.37Å; A2660-F2662 HydrophobicContact CB-CE2 4.4Å; F2662-V2682 HydrophobicContact CD2-CG1 4.02Å; F2662-V2682 HydrophobicContact CE2-CG1 4.11Å; F2662-Q2683 PolarHBondContact N-O 3.16Å; F2662-F2684 HydrophobicContact CB-CD1 3.95Å; F2662-F2684 HydrophobicContact CB-CE1 4.23Å; F2662-F2684 HydrophobicContact CD2-CE1 4.26Å; F2662-F2684 HydrophobicContact CG-CD1 4.5Å; F2662-F2684 HydrophobicContact CG-CE1 4.35Å; F2662-E2685 PolarHBondContact O-N 3.13Å; F2662-M2687 HydrophobicContact CB-CE 4.03Å; F2662-M2687 VanDerWaalsContact O-CE 3.28Å; F2662-M2687 WeakPolarHBondContact O-CE 3.23Å |
| 2663 | R | 97.8 | Very high | 95.9 | Very high | 89.4 Ų | 89.4 | 38.4 Ų | 38.4 | 34% | 0.337 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 147.9 | -168.5 | -159.1 | 171.7 | -89.5 | 166.7 | -1.5 | 112.5 | F2625 E2626 N2627 V2661 L2665 E2685 D2686 | F2625-R2663 PolarHBondContact O-N 3.15Å; E2626-R2663 VanDerWaalsContact CA-O 3.3Å; E2626-R2663 WeakPolarHBondContact CA-O 3.29Å; E2626-R2663 HydrophobicContact CG-CB 4.39Å; E2626-R2663 HydrophobicContact CG-CG 4.4Å; N2627-R2663 PolarHBondContact N-O 2.95Å; V2661-R2663 HydrophobicContact CG1-CB 4.19Å; V2661-R2663 HydrophobicContact CG1-CG 3.78Å; R2663-L2665 VanDerWaalsContact C-N 3.28Å; R2663-L2665 PolarHBondContact O-N 3.07Å; R2663-E2685 CarbonylContact C-O 3.52Å; R2663-E2685 VanDerWaalsContact CA-O 3.26Å; R2663-E2685 WeakPolarHBondContact CA-O 3.35Å; R2663-E2685 HydrophobicContact CB-CB 4.49Å; R2663-E2685 HydrophobicContact CG-CB 4.12Å; R2663-E2685 IonicContact CZ-OE2 3.11Å; R2663-E2685 IonicContact NE-OE2 3.47Å; R2663-E2685 PolarHBondContact NE-OE2 3.05Å; R2663-E2685 VanDerWaalsContact NE-OE2 3.16Å; R2663-E2685 IonicContact NH2-OE2 2.86Å; R2663-E2685 PolarHBondContact NH2-OE2 2.93Å; R2663-D2686 VanDerWaalsContact CD-OD2 3.28Å; R2663-D2686 WeakPolarHBondContact CD-OD2 3.39Å; R2663-D2686 HydrophobicContact CG-CB 4.07Å; R2663-D2686 WeakPolarHBondContact CG-OD2 3.27Å; R2663-D2686 IonicContact NE-OD2 3.29Å; R2663-D2686 PolarHBondContact NE-OD2 3.38Å |
| 2664 | K | 97.9 | Very high | 96.3 | Very high | 85 Ų | 85 | 35.3 Ų | 35.3 | 37% | 0.37 | 17% | 0.169 | S | C | . | . | trans | 54.6 | 39.1 | 169.9 | -68.3 | 170.3 | -169.3 | 169.4 | 0 | 113.8 | E2626 N2627 N2628 T2666 E2685 D2686 | E2626-K2664 HydrophobicContact CG-CB 4.31Å; E2626-K2664 HydrophobicContact CG-CD 3.96Å; E2626-K2664 WeakPolarHBondContact OE1-CD 3.38Å; E2626-K2664 WeakPolarHBondContact OE1-CE 3.22Å; E2626-K2664 IonicContact OE1-NZ 3.45Å; E2626-K2664 PolarHBondContact OE1-NZ 3.15Å; N2627-K2664 WeakPolarHBondContact CA-O 3.28Å; N2627-K2664 HydrophobicContact CB-CB 4.34Å; N2627-K2664 PolarHBondContact N-O 3.06Å; N2628-K2664 PolarHBondContact N-O 2.96Å; K2664-T2666 PolarHBondContact O-N 2.98Å; K2664-E2685 PolarHBondContact N-O 3.05Å; K2664-D2686 VanDerWaalsContact CA-O 3.3Å; K2664-D2686 WeakPolarHBondContact CA-O 3.4Å; K2664-D2686 HydrophobicContact CG-CB 3.81Å | ||
| 2665 | L | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -74.2 | 124.4 | 168.4 | -179.8 | 61.7 | 0 | 0 | 0 | 108.9 | F2625 N2628 A2630 A2637 L2638 R2663 A2667 P2674 M2687 L2688 | F2625-L2665 HydrophobicContact CE1-CB 4.29Å; F2625-L2665 HydrophobicContact CE1-CD1 4.22Å; F2625-L2665 HydrophobicContact CZ-CD1 4.17Å; N2628-L2665 HydrophobicContact CB-CD1 4.43Å; N2628-L2665 WeakPolarHBondContact O-CA 3.37Å; A2630-L2665 HydrophobicContact CB-CD1 4.49Å; A2637-L2665 HydrophobicContact CB-CD2 4.3Å; L2638-L2665 HydrophobicContact CB-CD2 3.9Å; L2638-L2665 HydrophobicContact CD2-CD2 4.42Å; R2663-L2665 VanDerWaalsContact C-N 3.28Å; R2663-L2665 PolarHBondContact O-N 3.07Å; L2665-A2667 HydrophobicContact CD2-CB 4.41Å; L2665-A2667 HydrophobicContact CG-CB 4.23Å; L2665-P2674 HydrophobicContact CD2-CB 4.42Å; L2665-M2687 HydrophobicContact CB-CE 3.85Å; L2665-M2687 HydrophobicContact CB-CG 4.03Å; L2665-M2687 HydrophobicContact CB-SD 3.78Å; L2665-M2687 WeakPolarHBondContact CB-SD 3.41Å; L2665-M2687 HydrophobicContact CD2-CE 4.28Å; L2665-M2687 HydrophobicContact CD2-SD 4.26Å; L2665-M2687 PolarHBondContact N-SD 2.84Å; L2665-M2687 WeakPolarHBondContact O-CA 3.24Å; L2665-M2687 WeakPolarHBondContact O-CB 3.25Å; L2665-L2688 PolarHBondContact O-N 3.11Å | ||
| 2666 | T | 98.4 | Very high | 96.8 | Very high | 29 Ų | 29 | 30 Ų | 30 | 18% | 0.178 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 109.4 | 166.1 | -59.6 | 0 | 0 | 0 | 0 | 108.4 | N2628 T2629 A2630 K2664 W2668 L2688 | N2628-T2666 PolarHBondContact O-N 3.02Å; T2629-T2666 CarbonylContact C-O 3.49Å; T2629-T2666 VanDerWaalsContact CA-O 3.26Å; T2629-T2666 WeakPolarHBondContact CA-O 3.38Å; T2629-T2666 HydrophobicContact CG2-CG2 4.38Å; A2630-T2666 PolarHBondContact N-O 3.1Å; K2664-T2666 PolarHBondContact O-N 2.98Å; T2666-W2668 HydrophobicContact CG2-CE3 4.09Å; T2666-W2668 HydrophobicContact CG2-CZ3 3.95Å; T2666-L2688 CarbonylContact C-O 3.5Å; T2666-L2688 WeakPolarHBondContact CA-O 3.3Å; T2666-L2688 HydrophobicContact CG2-CB 4.43Å; T2666-L2688 HydrophobicContact CG2-CD2 4.19Å; T2666-L2688 HydrophobicContact CG2-CG 4.47Å |
| 2667 | A | 98.3 | Very high | 96.9 | Very high | 0.4 Ų | 0.4 | 23.7 Ų | 23.7 | 0% | 0.003 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 123.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A2630 A2637 L2665 L2688 L2689 V2690 N2692 | A2630-A2667 VanDerWaalsContact O-CA 3.27Å; A2630-A2667 WeakPolarHBondContact O-CA 3.35Å; A2630-A2667 WeakPolarHBondContact O-CB 3.36Å; A2637-A2667 HydrophobicContact CB-CB 3.42Å; A2637-A2667 VanDerWaalsContact CB-CB 3.43Å; L2665-A2667 HydrophobicContact CD2-CB 4.41Å; L2665-A2667 HydrophobicContact CG-CB 4.23Å; A2667-L2688 PolarHBondContact N-O 2.96Å; A2667-L2689 HydrophobicContact CB-CD2 3.68Å; A2667-L2689 CarbonylContact O-C 3.37Å; A2667-L2689 WeakPolarHBondContact O-CA 3.37Å; A2667-V2690 PolarHBondContact O-N 3.09Å; A2667-N2692 PolarHBondContact O-ND2 3.07Å |
| 2668 | W | 97.3 | Very high | 96.9 | Very high | 13.2 Ų | 13.2 | 22.4 Ų | 22.4 | 5% | 0.05 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 150.5 | 178.7 | 65 | -74.4 | 0 | 0 | 0 | 115 | T2347 F2396 T2629 A2630 H2631 S2632 T2666 N2670 V2690 L2728 | T2347-W2668 HydrophobicContact CG2-CH2 3.84Å; T2347-W2668 WeakPolarHBondContact O-CZ3 3.17Å; F2396-W2668 HydrophobicContact CB-CD2 4.42Å; F2396-W2668 HydrophobicContact CB-CE3 4.4Å; F2396-W2668 HydrophobicContact CB-CH2 4.34Å; F2396-W2668 HydrophobicContact CB-CZ2 4.36Å; F2396-W2668 HydrophobicContact CB-CZ3 4.35Å; F2396-W2668 HydrophobicContact CD1-CB 4.07Å; F2396-W2668 AromaticContact CD1-CD1 3.86Å; F2396-W2668 AromaticContact CD1-CD2 3.71Å; F2396-W2668 HydrophobicContact CD1-CD2 3.71Å; F2396-W2668 HydrophobicContact CD1-CE3 4.21Å; F2396-W2668 AromaticContact CD1-CG 3.62Å; F2396-W2668 HydrophobicContact CD1-CG 3.62Å; F2396-W2668 HydrophobicContact CE1-CB 4.03Å; F2396-W2668 HydrophobicContact CE1-CG 4.03Å; F2396-W2668 HydrophobicContact CG-CD2 4.48Å; T2629-W2668 HydrophobicContact CG2-CE3 4.42Å; T2629-W2668 HydrophobicContact CG2-CH2 3.6Å; T2629-W2668 HydrophobicContact CG2-CZ3 3.34Å; A2630-W2668 PolarHBondContact O-N 3.07Å; A2630-W2668 VanDerWaalsContact O-N 3.11Å; H2631-W2668 CarbonylContact C-O 3.5Å; H2631-W2668 WeakPolarHBondContact CA-O 3.38Å; H2631-W2668 HydrophobicContact CB-CD2 3.57Å; H2631-W2668 HydrophobicContact CB-CE3 4.21Å; H2631-W2668 HydrophobicContact CB-CG 3.77Å; H2631-W2668 HydrophobicContact CB-CH2 3.96Å; H2631-W2668 HydrophobicContact CB-CZ2 3.82Å; H2631-W2668 HydrophobicContact CB-CZ3 4.06Å; H2631-W2668 VanDerWaalsContact CB-NE1 3.29Å; H2631-W2668 WeakPolarHBondContact CB-O 3.36Å; H2631-W2668 AromaticContact CD2-CE2 3.93Å; H2631-W2668 AromaticContact CD2-CH2 3.27Å; H2631-W2668 WeakPolarHBondContact CD2-CH2 3.41Å; H2631-W2668 AromaticContact CD2-CZ2 3.74Å; H2631-W2668 WeakPolarHBondContact CD2-CZ2 3.33Å; H2631-W2668 AromaticContact CD2-NE1 3.8Å; H2631-W2668 AromaticContact CE1-CZ2 3.82Å; H2631-W2668 AromaticContact CG-CD2 3.98Å; H2631-W2668 AromaticContact CG-CE2 3.42Å; H2631-W2668 VanDerWaalsContact CG-CE2 3.42Å; H2631-W2668 AromaticContact CG-CH2 3.69Å; H2631-W2668 AromaticContact CG-CZ2 3.42Å; H2631-W2668 VanDerWaalsContact CG-CZ2 3.44Å; H2631-W2668 AromaticContact CG-NE1 3.59Å; H2631-W2668 AromaticContact ND1-CE2 3.81Å; H2631-W2668 AromaticContact ND1-CH2 3.78Å; H2631-W2668 AromaticContact ND1-CZ2 3.47Å; H2631-W2668 WeakPolarHBondContact ND1-CZ2 3.27Å; H2631-W2668 AromaticContact ND1-NE1 3.78Å; H2631-W2668 AromaticContact NE2-CH2 3.94Å; H2631-W2668 AromaticContact NE2-CZ2 3.57Å; S2632-W2668 PolarHBondContact N-O 3.13Å; T2666-W2668 HydrophobicContact CG2-CE3 4.09Å; T2666-W2668 HydrophobicContact CG2-CZ3 3.95Å; W2668-N2670 PolarHBondContact N-ND2 3.2Å; W2668-N2670 PolarHBondContact O-N 2.79Å; W2668-N2670 VanDerWaalsContact O-N 3.09Å; W2668-N2670 PolarHBondContact O-ND2 3.05Å; W2668-N2670 VanDerWaalsContact O-ND2 3.12Å; W2668-V2690 WeakPolarHBondContact CA-O 3.4Å; W2668-V2690 HydrophobicContact CB-CB 4.17Å; W2668-V2690 VanDerWaalsContact CB-O 3.27Å; W2668-V2690 WeakPolarHBondContact CB-O 3.28Å; W2668-L2728 HydrophobicContact CB-CD1 4.37Å; W2668-L2728 HydrophobicContact CE3-CD1 4.23Å; W2668-L2728 HydrophobicContact CG-CD1 4.36Å |
| 2669 | N | 95.5 | Very high | 96.9 | Very high | 21.2 Ų | 21.2 | 20.6 Ų | 20.6 | 11% | 0.113 | 10% | 0.097 | C | C | . | . | S | Bend | trans | 54.9 | 26.2 | 179.7 | -71.1 | -1.8 | 0 | 0 | 0 | 114.6 | T2347 G2348 G2349 K2350 S2632 V2690 N2691 | T2347-N2669 PolarHBondContact O-ND2 3Å; G2348-N2669 VanDerWaalsContact O-CB 3.25Å; G2348-N2669 WeakPolarHBondContact O-CB 3.39Å; G2348-N2669 PolarHBondContact O-ND2 3.26Å; G2348-N2669 VanDerWaalsContact O-ND2 3.11Å; G2349-N2669 CarbonylContact C-O 3.49Å; K2350-N2669 WeakPolarHBondContact CA-O 3.37Å; K2350-N2669 PolarHBondContact N-O 3.07Å; K2350-N2669 VanDerWaalsContact N-O 3.12Å; S2632-N2669 WeakPolarHBondContact CA-O 3.41Å; S2632-N2669 PolarHBondContact N-O 2.78Å; N2669-V2690 PolarHBondContact N-O 3.23Å; N2669-N2691 VanDerWaalsContact CA-O 3.28Å; N2669-N2691 WeakPolarHBondContact CA-O 3.3Å; N2669-N2691 PolarHBondContact N-O 2.97Å; N2669-N2691 VanDerWaalsContact N-O 3.13Å; N2669-N2691 WeakPolarHBondContact OD1-CB 3.26Å; N2669-N2691 PolarHBondContact OD1-ND2 3.17Å |
| 2670 | N | 96.4 | Very high | 96.7 | Very high | 1.6 Ų | 1.6 | 16.7 Ų | 16.7 | 1% | 0.009 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -93.2 | 174.9 | 171.5 | -49.2 | -79.7 | 0 | 0 | 0 | 110.1 | A2630 H2631 S2632 N2633 W2635 W2668 K2672 N2692 D2693 | A2630-N2670 PolarHBondContact O-ND2 2.99Å; H2631-N2670 VanDerWaalsContact CA-OD1 3.3Å; H2631-N2670 WeakPolarHBondContact CA-OD1 3.26Å; S2632-N2670 PolarHBondContact N-OD1 3.01Å; N2633-N2670 VanDerWaalsContact CB-OD1 3.28Å; N2633-N2670 WeakPolarHBondContact CB-OD1 3.39Å; N2633-N2670 PolarHBondContact N-OD1 2.96Å; N2633-N2670 VanDerWaalsContact N-OD1 3.12Å; N2633-N2670 PolarHBondContact ND2-OD1 3.09Å; N2633-N2670 WeakPolarHBondContact O-CA 3.35Å; W2635-N2670 WeakPolarHBondContact O-CB 3.23Å; W2668-N2670 PolarHBondContact N-ND2 3.2Å; W2668-N2670 PolarHBondContact O-N 2.79Å; W2668-N2670 VanDerWaalsContact O-N 3.09Å; W2668-N2670 PolarHBondContact O-ND2 3.05Å; W2668-N2670 VanDerWaalsContact O-ND2 3.12Å; N2670-K2672 VanDerWaalsContact CB-O 3.3Å; N2670-K2672 WeakPolarHBondContact CB-O 3.29Å; N2670-N2692 WeakPolarHBondContact CB-OD1 3.34Å; N2670-N2692 PolarHBondContact N-OD1 3.18Å; N2670-N2692 PolarHBondContact ND2-OD1 3.1Å; N2670-N2692 VanDerWaalsContact ND2-OD1 3.08Å; N2670-N2692 CarbonylContact O-C 3.55Å; N2670-N2692 VanDerWaalsContact O-CA 3.29Å; N2670-N2692 WeakPolarHBondContact O-CA 3.4Å; N2670-D2693 PolarHBondContact O-N 3.09Å |
| 2671 | N | 95.1 | Very high | 96.6 | Very high | 20.8 Ų | 20.8 | 16.7 Ų | 16.7 | 11% | 0.111 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -67.4 | -44.9 | 165.8 | -170 | 51.5 | 0 | 0 | 0 | 111 | K2350 G2634 W2635 F2636 D2693 E2694 | K2350-N2671 HydrophobicContact CB-CB 4.49Å; K2350-N2671 HydrophobicContact CD-CB 3.86Å; K2350-N2671 WeakPolarHBondContact CD-OD1 3.13Å; K2350-N2671 PolarHBondContact NZ-OD1 3.01Å; G2634-N2671 WeakPolarHBondContact O-CB 3.4Å; W2635-N2671 WeakPolarHBondContact O-CA 3.32Å; W2635-N2671 WeakPolarHBondContact O-CB 3.33Å; W2635-N2671 PolarHBondContact O-N 3.14Å; F2636-N2671 HydrophobicContact CD1-CB 4.43Å; F2636-N2671 WeakPolarHBondContact CE1-OD1 3.13Å; N2671-D2693 PolarHBondContact O-N 3.09Å; N2671-D2693 VanDerWaalsContact O-N 3.15Å; N2671-E2694 PolarHBondContact ND2-OE2 3.06Å; N2671-E2694 PolarHBondContact O-N 3.06Å; N2671-E2694 PolarHBondContact OD1-OE2 2.86Å |
| 2672 | K | 96.8 | Very high | 96.5 | Very high | 7.2 Ų | 7.2 | 15.6 Ų | 15.6 | 3% | 0.031 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 155.9 | 173.8 | -56.2 | -178.5 | -169.9 | -175.1 | 0 | 112 | W2635 F2636 A2637 N2670 E2675 E2694 A2695 E2698 | W2635-K2672 PolarHBondContact O-N 3.25Å; F2636-K2672 CarbonylContact C-O 3.51Å; F2636-K2672 WeakPolarHBondContact CA-O 3.22Å; F2636-K2672 HydrophobicContact CB-CB 4.22Å; F2636-K2672 HydrophobicContact CD1-CB 3.54Å; F2636-K2672 HydrophobicContact CD1-CD 3.66Å; F2636-K2672 HydrophobicContact CD1-CG 3.58Å; F2636-K2672 HydrophobicContact CE1-CB 4.22Å; F2636-K2672 HydrophobicContact CE1-CD 3.46Å; F2636-K2672 VanDerWaalsContact CE1-CD 3.46Å; F2636-K2672 VanDerWaalsContact CE1-CE 3.5Å; F2636-K2672 HydrophobicContact CE1-CG 3.74Å; F2636-K2672 HydrophobicContact CE2-CD 4.41Å; F2636-K2672 HydrophobicContact CG-CB 4Å; F2636-K2672 HydrophobicContact CG-CD 4.29Å; F2636-K2672 HydrophobicContact CG-CG 4.4Å; F2636-K2672 HydrophobicContact CZ-CD 3.88Å; A2637-K2672 PolarHBondContact N-O 3.11Å; N2670-K2672 VanDerWaalsContact CB-O 3.3Å; N2670-K2672 WeakPolarHBondContact CB-O 3.29Å; K2672-E2675 HydrophobicContact CD-CB 4.48Å; K2672-E2675 IonicContact NZ-OE2 3.57Å; K2672-E2675 PolarHBondContact NZ-OE2 2.92Å; K2672-E2694 VanDerWaalsContact CE-OE1 3.25Å; K2672-E2694 WeakPolarHBondContact CE-OE1 3.33Å; K2672-E2694 WeakPolarHBondContact CE-OE2 3.29Å; K2672-E2694 HydrophobicContact CG-CB 4.14Å; K2672-E2694 IonicContact NZ-OE1 3.42Å; K2672-E2694 PolarHBondContact NZ-OE1 2.9Å; K2672-E2694 IonicContact NZ-OE2 3.07Å; K2672-A2695 CarbonylContact C-O 3.57Å; K2672-A2695 WeakPolarHBondContact CA-O 3.35Å; K2672-A2695 HydrophobicContact CB-CB 4.49Å; K2672-A2695 HydrophobicContact CD-CB 4.32Å; K2672-A2695 HydrophobicContact CG-CB 4.15Å; K2672-E2698 WeakPolarHBondContact CD-OE2 3.49Å; K2672-E2698 WeakPolarHBondContact CE-OE2 3.36Å; K2672-E2698 IonicContact NZ-OE2 3.15Å; K2672-E2698 PolarHBondContact NZ-OE2 3.03Å |
| 2673 | G | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | -125.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | A2637 L2638 A2695 A2696 | A2637-G2673 PolarHBondContact N-O 3.13Å; L2638-G2673 PolarHBondContact N-O 3.04Å; G2673-A2695 PolarHBondContact N-O 3.13Å; G2673-A2696 CarbonylContact C-O 3.35Å; G2673-A2696 WeakPolarHBondContact CA-O 3.33Å; G2673-A2696 PolarHBondContact N-O 3.01Å |
| 2674 | P | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 133.9 | 170.7 | 29.8 | -39 | 0 | 0 | 0 | 114.1 | L2638 L2665 F2684 M2687 L2689 A2696 I2697 E2698 | L2638-P2674 HydrophobicContact CB-CB 4.18Å; L2638-P2674 HydrophobicContact CD2-CB 4.15Å; L2638-P2674 HydrophobicContact CG-CB 4.41Å; L2638-P2674 CarbonylContact O-C 3.54Å; L2638-P2674 VanDerWaalsContact O-CA 3.3Å; L2638-P2674 WeakPolarHBondContact O-CA 3.3Å; L2665-P2674 HydrophobicContact CD2-CB 4.42Å; P2674-F2684 HydrophobicContact CB-CD1 4.04Å; P2674-F2684 HydrophobicContact CB-CD2 4.28Å; P2674-F2684 HydrophobicContact CB-CE1 3.66Å; P2674-F2684 HydrophobicContact CB-CE2 3.93Å; P2674-F2684 HydrophobicContact CB-CG 4.36Å; P2674-F2684 HydrophobicContact CB-CZ 3.62Å; P2674-F2684 HydrophobicContact CG-CD1 4.25Å; P2674-F2684 HydrophobicContact CG-CD2 4.09Å; P2674-F2684 HydrophobicContact CG-CE1 4.34Å; P2674-F2684 HydrophobicContact CG-CE2 4.18Å; P2674-F2684 HydrophobicContact CG-CG 4.16Å; P2674-F2684 HydrophobicContact CG-CZ 4.32Å; P2674-M2687 HydrophobicContact CG-CE 4.34Å; P2674-M2687 HydrophobicContact CG-SD 3.79Å; P2674-L2689 HydrophobicContact CG-CD1 4.44Å; P2674-A2696 WeakPolarHBondContact CD-O 3.2Å; P2674-I2697 HydrophobicContact CG-CB 4.42Å; P2674-I2697 HydrophobicContact CG-CG1 3.95Å; P2674-I2697 HydrophobicContact CG-CG2 4.32Å; P2674-I2697 WeakPolarHBondContact O-CA 3.36Å; P2674-E2698 PolarHBondContact O-N 3Å |
| 2675 | E | 97.5 | Very high | 96.5 | Very high | 9.6 Ų | 9.6 | 8 Ų | 8 | 5% | 0.045 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 132.4 | 166.3 | -175.7 | -172.6 | 96 | 0 | 0 | 110.9 | F2636 L2638 W2639 I2640 K2672 V2677 E2698 K2700 | F2636-E2675 HydrophobicContact CD2-CB 4.02Å; F2636-E2675 HydrophobicContact CE2-CB 4.3Å; F2636-E2675 HydrophobicContact CE2-CG 4.46Å; F2636-E2675 WeakPolarHBondContact CE2-OE1 3.35Å; L2638-E2675 PolarHBondContact O-N 3.06Å; W2639-E2675 PolarHBondContact NE1-OE1 3.17Å; I2640-E2675 PolarHBondContact N-O 2.91Å; K2672-E2675 HydrophobicContact CD-CB 4.48Å; K2672-E2675 IonicContact NZ-OE2 3.57Å; K2672-E2675 PolarHBondContact NZ-OE2 2.92Å; E2675-V2677 HydrophobicContact CG-CG2 4.43Å; E2675-V2677 WeakPolarHBondContact OE1-CG2 3.28Å; E2675-E2698 CarbonylContact C-O 3.43Å; E2675-E2698 VanDerWaalsContact CA-O 3.26Å; E2675-E2698 WeakPolarHBondContact CA-O 3.42Å; E2675-E2698 HydrophobicContact CB-CB 4.44Å; E2675-E2698 HydrophobicContact CG-CB 4.16Å; E2675-E2698 HydrophobicContact CG-CG 4.18Å; E2675-K2700 HydrophobicContact CG-CG 4.48Å; E2675-K2700 VanDerWaalsContact OE2-CE 3.28Å; E2675-K2700 WeakPolarHBondContact OE2-CE 3.34Å; E2675-K2700 IonicContact OE2-NZ 3.55Å |
| 2676 | C | 96 | Very high | 96.5 | Very high | 2.8 Ų | 2.8 | 10.6 Ų | 10.6 | 2% | 0.019 | 6% | 0.057 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 117.6 | 174.9 | -141.2 | 0 | 0 | 0 | 0 | 110.9 | C2679 F2684 E2698 G2699 K2700 | C2676-C2679 HydrophobicContact CB-CB 3.98Å; C2676-C2679 WeakPolarHBondContact CB-SG 3.32Å; C2676-C2679 WeakPolarHBondContact SG-CB 3.32Å; C2676-C2679 CovalentContact SG-SG 2.01Å; C2676-C2679 PolarHBondContact SG-SG 3.04Å; C2676-F2684 HydrophobicContact CB-CE2 4.34Å; C2676-F2684 HydrophobicContact CB-CZ 4.08Å; C2676-E2698 PolarHBondContact N-O 2.98Å; C2676-G2699 WeakPolarHBondContact O-CA 3.15Å; C2676-K2700 PolarHBondContact O-N 2.88Å |
| 2677 | V | 94.7 | Very high | 96.5 | Very high | 21.6 Ų | 21.6 | 9.3 Ų | 9.3 | 13% | 0.131 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -71.2 | -171.6 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | I2640 H2641 E2642 E2675 K2700 R2701 | I2640-V2677 PolarHBondContact O-N 2.86Å; I2640-V2677 VanDerWaalsContact O-N 3.08Å; H2641-V2677 HydrophobicContact CB-CB 4.49Å; H2641-V2677 HydrophobicContact CB-CG2 4.09Å; E2642-V2677 HydrophobicContact CG-CG1 4.06Å; E2675-V2677 HydrophobicContact CG-CG2 4.43Å; E2675-V2677 WeakPolarHBondContact OE1-CG2 3.28Å; V2677-K2700 HydrophobicContact CB-CG 4.41Å; V2677-K2700 HydrophobicContact CG1-CB 4.34Å; V2677-K2700 HydrophobicContact CG1-CG 4.35Å; V2677-K2700 HydrophobicContact CG2-CG 4.2Å; V2677-K2700 WeakPolarHBondContact O-CB 3.3Å; V2677-R2701 WeakPolarHBondContact O-CA 3.36Å; V2677-R2701 WeakPolarHBondContact O-CB 3.34Å; V2677-R2701 PolarHBondContact O-N 2.82Å |
| 2678 | N | 94.4 | Very high | 96.5 | Very high | 17 Ų | 17 | 10.2 Ų | 10.2 | 9% | 0.091 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 101.2 | 172 | -54.6 | -65.8 | 0 | 0 | 0 | 109.4 | E2642 S2643 F2644 F2645 R2701 M2703 | E2642-N2678 WeakPolarHBondContact CG-ND2 3.42Å; E2642-N2678 VanDerWaalsContact O-CB 3.31Å; E2642-N2678 WeakPolarHBondContact O-CB 3.38Å; E2642-N2678 PolarHBondContact O-N 3.07Å; E2642-N2678 VanDerWaalsContact O-N 3.12Å; E2642-N2678 PolarHBondContact O-ND2 3.13Å; E2642-N2678 PolarHBondContact OE1-ND2 3.07Å; S2643-N2678 CarbonylContact C-O 3.47Å; S2643-N2678 VanDerWaalsContact CA-O 3.25Å; S2643-N2678 WeakPolarHBondContact CA-O 3.35Å; S2643-N2678 WeakPolarHBondContact OG-CB 3.25Å; S2643-N2678 PolarHBondContact OG-ND2 2.91Å; F2644-N2678 PolarHBondContact N-O 2.85Å; F2645-N2678 HydrophobicContact CE1-CB 4.3Å; F2645-N2678 VanDerWaalsContact CE1-O 3.25Å; F2645-N2678 WeakPolarHBondContact CE1-O 3.34Å; F2645-N2678 HydrophobicContact CZ-CB 4.08Å; N2678-R2701 WeakPolarHBondContact OD1-CD 3.25Å; N2678-R2701 PolarHBondContact OD1-NH1 3.27Å; N2678-M2703 HydrophobicContact CB-SD 4.12Å |
| 2679 | C | 94.9 | Very high | 96.5 | Very high | 2.2 Ų | 2.2 | 9.5 Ų | 9.5 | 2% | 0.015 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 142.6 | -167.4 | -62.4 | 0 | 0 | 0 | 0 | 113.6 | F2644 C2676 V2682 R2701 L2702 M2703 | F2644-C2679 CarbonylContact O-C 3.54Å; F2644-C2679 WeakPolarHBondContact O-CA 3.27Å; C2676-C2679 HydrophobicContact CB-CB 3.98Å; C2676-C2679 WeakPolarHBondContact CB-SG 3.32Å; C2676-C2679 WeakPolarHBondContact SG-CB 3.32Å; C2676-C2679 CovalentContact SG-SG 2.01Å; C2676-C2679 PolarHBondContact SG-SG 3.04Å; C2679-V2682 HydrophobicContact CB-CB 4.13Å; C2679-V2682 HydrophobicContact CB-CG2 3.85Å; C2679-R2701 PolarHBondContact N-O 3.05Å; C2679-L2702 CarbonylContact O-C 3.5Å; C2679-L2702 VanDerWaalsContact O-CA 3.23Å; C2679-L2702 WeakPolarHBondContact O-CA 3.36Å; C2679-L2702 WeakPolarHBondContact O-CD2 3.45Å; C2679-M2703 CarbonylContact C-O 3.53Å; C2679-M2703 PolarHBondContact O-N 3.02Å |
| 2680 | G | 91.9 | Very high | 96.6 | Very high | 0.8 Ų | 0.8 | 8.7 Ų | 8.7 | 1% | 0.008 | 5% | 0.047 | C | C | . | . | S | Bend | trans | -100.5 | -129.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | F2644 P2646 V2682 M2703 P2714 | F2644-G2680 PolarHBondContact O-N 3.12Å; F2644-G2680 VanDerWaalsContact O-N 3.14Å; P2646-G2680 WeakPolarHBondContact CD-O 3.37Å; P2646-G2680 WeakPolarHBondContact CG-O 3.46Å; G2680-V2682 VanDerWaalsContact C-N 3.3Å; G2680-V2682 PolarHBondContact O-N 2.83Å; G2680-M2703 WeakPolarHBondContact CA-O 3.24Å; G2680-M2703 PolarHBondContact N-O 2.95Å; G2680-P2714 WeakPolarHBondContact O-CB 3.4Å; G2680-P2714 VanDerWaalsContact O-CD 3.28Å; G2680-P2714 WeakPolarHBondContact O-CD 3.34Å; G2680-P2714 VanDerWaalsContact O-CG 3.24Å; G2680-P2714 WeakPolarHBondContact O-CG 3.37Å |
| 2681 | G | 94 | Very high | 96.6 | Very high | 0.6 Ų | 0.6 | 9.6 Ų | 9.6 | 1% | 0.006 | 5% | 0.051 | C | C | . | . | S | Bend | trans | -61.6 | 28.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | K2659 A2660 Q2683 T2712 | K2659-G2681 CarbonylContact C-O 3.54Å; K2659-G2681 WeakPolarHBondContact CA-O 3.37Å; K2659-G2681 WeakPolarHBondContact CB-O 3.41Å; A2660-G2681 PolarHBondContact N-O 2.86Å; G2681-Q2683 PolarHBondContact O-N 2.87Å; G2681-T2712 WeakPolarHBondContact CA-O 3.27Å |
| 2682 | V | 97.1 | Very high | 96.6 | Very high | 4.4 Ų | 4.4 | 8.6 Ų | 8.6 | 3% | 0.027 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 130.5 | 177.6 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | I2640 F2644 A2660 F2662 C2679 G2680 F2684 P2714 L2715 | I2640-V2682 HydrophobicContact CD1-CG1 3.91Å; F2644-V2682 HydrophobicContact CD1-CG2 3.83Å; F2644-V2682 HydrophobicContact CE1-CG2 4.49Å; F2644-V2682 HydrophobicContact CG-CG2 4.49Å; A2660-V2682 HydrophobicContact CB-CG2 4.47Å; A2660-V2682 WeakPolarHBondContact O-CA 3.35Å; F2662-V2682 HydrophobicContact CD2-CG1 4.02Å; F2662-V2682 HydrophobicContact CE2-CG1 4.11Å; C2679-V2682 HydrophobicContact CB-CB 4.13Å; C2679-V2682 HydrophobicContact CB-CG2 3.85Å; G2680-V2682 VanDerWaalsContact C-N 3.3Å; G2680-V2682 PolarHBondContact O-N 2.83Å; V2682-F2684 HydrophobicContact CG1-CD1 4.46Å; V2682-F2684 HydrophobicContact CG1-CE1 3.96Å; V2682-F2684 HydrophobicContact CG1-CZ 3.99Å; V2682-P2714 WeakPolarHBondContact O-CA 3.3Å; V2682-L2715 PolarHBondContact O-N 3.04Å |
| 2683 | Q | 97.6 | Very high | 96.4 | Very high | 2.4 Ų | 2.4 | 11.1 Ų | 11.1 | 1% | 0.011 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 136.9 | 179.6 | -52.7 | -172 | -18.4 | 0 | 0 | 110.7 | K2659 A2660 V2661 F2662 G2681 E2685 P2710 G2713 L2715 | K2659-Q2683 HydrophobicContact CB-CG 4.23Å; A2660-Q2683 PolarHBondContact O-N 2.87Å; V2661-Q2683 HydrophobicContact CG1-CB 4.27Å; V2661-Q2683 HydrophobicContact CG2-CB 4.37Å; F2662-Q2683 PolarHBondContact N-O 3.16Å; G2681-Q2683 PolarHBondContact O-N 2.87Å; Q2683-E2685 HydrophobicContact CB-CG 4.38Å; Q2683-E2685 PolarHBondContact OE1-OE1 3.16Å; Q2683-P2710 PolarHBondContact NE2-O 2.95Å; Q2683-G2713 VanDerWaalsContact CG-O 3.32Å; Q2683-G2713 WeakPolarHBondContact CG-O 3.37Å; Q2683-G2713 PolarHBondContact NE2-O 2.95Å; Q2683-L2715 CarbonylContact C-O 3.37Å; Q2683-L2715 WeakPolarHBondContact CA-O 3.31Å; Q2683-L2715 HydrophobicContact CB-CB 4.26Å; Q2683-L2715 WeakPolarHBondContact CB-O 3.33Å; Q2683-L2715 HydrophobicContact CG-CB 3.81Å |
| 2684 | F | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 111.4 | 173.5 | -63.6 | -46 | 0 | 0 | 0 | 108.8 | L2638 I2640 F2662 P2674 C2676 V2682 M2687 I2697 L2715 Y2716 R2717 | L2638-F2684 HydrophobicContact CD2-CE1 4.1Å; I2640-F2684 HydrophobicContact CD1-CE1 3.97Å; I2640-F2684 HydrophobicContact CD1-CZ 4.05Å; F2662-F2684 HydrophobicContact CB-CD1 3.95Å; F2662-F2684 HydrophobicContact CB-CE1 4.23Å; F2662-F2684 HydrophobicContact CD2-CE1 4.26Å; F2662-F2684 HydrophobicContact CG-CD1 4.5Å; F2662-F2684 HydrophobicContact CG-CE1 4.35Å; P2674-F2684 HydrophobicContact CB-CD1 4.04Å; P2674-F2684 HydrophobicContact CB-CD2 4.28Å; P2674-F2684 HydrophobicContact CB-CE1 3.66Å; P2674-F2684 HydrophobicContact CB-CE2 3.93Å; P2674-F2684 HydrophobicContact CB-CG 4.36Å; P2674-F2684 HydrophobicContact CB-CZ 3.62Å; P2674-F2684 HydrophobicContact CG-CD1 4.25Å; P2674-F2684 HydrophobicContact CG-CD2 4.09Å; P2674-F2684 HydrophobicContact CG-CE1 4.34Å; P2674-F2684 HydrophobicContact CG-CE2 4.18Å; P2674-F2684 HydrophobicContact CG-CG 4.16Å; P2674-F2684 HydrophobicContact CG-CZ 4.32Å; C2676-F2684 HydrophobicContact CB-CE2 4.34Å; C2676-F2684 HydrophobicContact CB-CZ 4.08Å; V2682-F2684 HydrophobicContact CG1-CD1 4.46Å; V2682-F2684 HydrophobicContact CG1-CE1 3.96Å; V2682-F2684 HydrophobicContact CG1-CZ 3.99Å; F2684-M2687 HydrophobicContact CB-CE 3.68Å; F2684-M2687 HydrophobicContact CB-CG 4.25Å; F2684-M2687 HydrophobicContact CB-SD 3.92Å; F2684-M2687 HydrophobicContact CD1-CE 3.5Å; F2684-M2687 VanDerWaalsContact CD1-CE 3.47Å; F2684-M2687 HydrophobicContact CD1-SD 4.43Å; F2684-M2687 HydrophobicContact CE1-CE 4.43Å; F2684-M2687 HydrophobicContact CG-CE 3.92Å; F2684-M2687 HydrophobicContact CG-SD 4.36Å; F2684-I2697 HydrophobicContact CB-CD1 4.35Å; F2684-I2697 HydrophobicContact CD2-CG2 3.55Å; F2684-I2697 HydrophobicContact CE2-CG2 3.89Å; F2684-L2715 PolarHBondContact N-O 3.23Å; F2684-Y2716 HydrophobicContact CB-CD1 3.91Å; F2684-Y2716 HydrophobicContact CB-CE1 4.44Å; F2684-Y2716 AromaticContact CD2-CD1 3.48Å; F2684-Y2716 HydrophobicContact CD2-CD1 3.48Å; F2684-Y2716 VanDerWaalsContact CD2-CD1 3.48Å; F2684-Y2716 AromaticContact CD2-CE1 3.22Å; F2684-Y2716 HydrophobicContact CD2-CE1 3.22Å; F2684-Y2716 HydrophobicContact CD2-CG 4.37Å; F2684-Y2716 AromaticContact CD2-CZ 3.89Å; F2684-Y2716 HydrophobicContact CE2-CD1 4.39Å; F2684-Y2716 AromaticContact CE2-CE1 3.69Å; F2684-Y2716 HydrophobicContact CE2-CE1 3.69Å; F2684-Y2716 HydrophobicContact CG-CD1 4.08Å; F2684-Y2716 HydrophobicContact CG-CE1 4.16Å; F2684-Y2716 CarbonylContact O-C 3.52Å; F2684-Y2716 WeakPolarHBondContact O-CA 3.29Å; F2684-R2717 PolarHBondContact O-N 2.89Å |
| 2685 | E | 97.9 | Very high | 96.1 | Very high | 13.4 Ų | 13.4 | 14.8 Ų | 14.8 | 6% | 0.063 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 145.7 | -171.7 | -62.3 | -168.3 | 165.8 | 0 | 0 | 112.9 | V2661 F2662 R2663 K2664 Q2683 M2687 R2717 | V2661-E2685 HydrophobicContact CG1-CB 4.09Å; V2661-E2685 HydrophobicContact CG1-CG 3.79Å; V2661-E2685 WeakPolarHBondContact CG1-OE2 3.3Å; F2662-E2685 PolarHBondContact O-N 3.13Å; R2663-E2685 CarbonylContact C-O 3.52Å; R2663-E2685 VanDerWaalsContact CA-O 3.26Å; R2663-E2685 WeakPolarHBondContact CA-O 3.35Å; R2663-E2685 HydrophobicContact CB-CB 4.49Å; R2663-E2685 HydrophobicContact CG-CB 4.12Å; R2663-E2685 IonicContact CZ-OE2 3.11Å; R2663-E2685 IonicContact NE-OE2 3.47Å; R2663-E2685 PolarHBondContact NE-OE2 3.05Å; R2663-E2685 VanDerWaalsContact NE-OE2 3.16Å; R2663-E2685 IonicContact NH2-OE2 2.86Å; R2663-E2685 PolarHBondContact NH2-OE2 2.93Å; K2664-E2685 PolarHBondContact N-O 3.05Å; Q2683-E2685 HydrophobicContact CB-CG 4.38Å; Q2683-E2685 PolarHBondContact OE1-OE1 3.16Å; E2685-M2687 VanDerWaalsContact C-N 3.25Å; E2685-M2687 WeakPolarHBondContact O-CG 3.41Å; E2685-M2687 PolarHBondContact O-N 3.06Å; E2685-M2687 VanDerWaalsContact O-N 3.15Å; E2685-M2687 VanDerWaalsContact O-SD 3.38Å; E2685-R2717 CarbonylContact C-O 3.49Å; E2685-R2717 VanDerWaalsContact CA-O 3.31Å; E2685-R2717 WeakPolarHBondContact CA-O 3.34Å; E2685-R2717 HydrophobicContact CG-CB 4.33Å; E2685-R2717 IonicContact OE1-CZ 3.65Å; E2685-R2717 IonicContact OE1-NE 3.52Å; E2685-R2717 IonicContact OE1-NH2 3.02Å; E2685-R2717 PolarHBondContact OE1-NH2 2.87Å; E2685-R2717 IonicContact OE2-CZ 3.41Å; E2685-R2717 IonicContact OE2-NH2 2.7Å; E2685-R2717 PolarHBondContact OE2-NH2 2.95Å |
| 2686 | D | 97.7 | Very high | 96.1 | Very high | 53.6 Ų | 53.6 | 14.5 Ų | 14.5 | 29% | 0.287 | 8% | 0.076 | S | C | . | . | S | Bend | trans | 56.4 | 32.6 | 170.7 | -52.3 | -46.9 | 0 | 0 | 0 | 113.8 | R2663 K2664 R2717 N2718 | R2663-D2686 VanDerWaalsContact CD-OD2 3.28Å; R2663-D2686 WeakPolarHBondContact CD-OD2 3.39Å; R2663-D2686 HydrophobicContact CG-CB 4.07Å; R2663-D2686 WeakPolarHBondContact CG-OD2 3.27Å; R2663-D2686 IonicContact NE-OD2 3.29Å; R2663-D2686 PolarHBondContact NE-OD2 3.38Å; K2664-D2686 VanDerWaalsContact CA-O 3.3Å; K2664-D2686 WeakPolarHBondContact CA-O 3.4Å; K2664-D2686 HydrophobicContact CG-CB 3.81Å; D2686-R2717 PolarHBondContact N-O 3.02Å; D2686-R2717 VanDerWaalsContact N-O 3.07Å; D2686-N2718 VanDerWaalsContact CA-O 3.3Å; D2686-N2718 WeakPolarHBondContact CA-O 3.3Å; D2686-N2718 WeakPolarHBondContact OD1-CB 3.34Å; D2686-N2718 PolarHBondContact OD1-ND2 2.86Å |
| 2687 | M | 98.2 | Very high | 96.2 | Very high | 2.2 Ų | 2.2 | 14.3 Ų | 14.3 | 1% | 0.011 | 8% | 0.075 | C | C | . | . | trans | -86.7 | 151.3 | -174.3 | -56.9 | -152.3 | 175.1 | 0 | 0 | 112.9 | F2662 L2665 P2674 F2684 E2685 L2689 S2719 T2720 | F2662-M2687 HydrophobicContact CB-CE 4.03Å; F2662-M2687 VanDerWaalsContact O-CE 3.28Å; F2662-M2687 WeakPolarHBondContact O-CE 3.23Å; L2665-M2687 HydrophobicContact CB-CE 3.85Å; L2665-M2687 HydrophobicContact CB-CG 4.03Å; L2665-M2687 HydrophobicContact CB-SD 3.78Å; L2665-M2687 WeakPolarHBondContact CB-SD 3.41Å; L2665-M2687 HydrophobicContact CD2-CE 4.28Å; L2665-M2687 HydrophobicContact CD2-SD 4.26Å; L2665-M2687 PolarHBondContact N-SD 2.84Å; L2665-M2687 WeakPolarHBondContact O-CA 3.24Å; L2665-M2687 WeakPolarHBondContact O-CB 3.25Å; P2674-M2687 HydrophobicContact CG-CE 4.34Å; P2674-M2687 HydrophobicContact CG-SD 3.79Å; F2684-M2687 HydrophobicContact CB-CE 3.68Å; F2684-M2687 HydrophobicContact CB-CG 4.25Å; F2684-M2687 HydrophobicContact CB-SD 3.92Å; F2684-M2687 HydrophobicContact CD1-CE 3.5Å; F2684-M2687 VanDerWaalsContact CD1-CE 3.47Å; F2684-M2687 HydrophobicContact CD1-SD 4.43Å; F2684-M2687 HydrophobicContact CE1-CE 4.43Å; F2684-M2687 HydrophobicContact CG-CE 3.92Å; F2684-M2687 HydrophobicContact CG-SD 4.36Å; E2685-M2687 VanDerWaalsContact C-N 3.25Å; E2685-M2687 WeakPolarHBondContact O-CG 3.41Å; E2685-M2687 PolarHBondContact O-N 3.06Å; E2685-M2687 VanDerWaalsContact O-N 3.15Å; E2685-M2687 VanDerWaalsContact O-SD 3.38Å; M2687-L2689 HydrophobicContact CB-CD1 4.2Å; M2687-L2689 HydrophobicContact CB-CD2 4.08Å; M2687-L2689 HydrophobicContact CB-CG 3.94Å; M2687-L2689 HydrophobicContact SD-CD1 4.35Å; M2687-L2689 HydrophobicContact SD-CD2 4.27Å; M2687-S2719 WeakPolarHBondContact CB-OG 3.33Å; M2687-S2719 WeakPolarHBondContact CG-OG 3.4Å; M2687-S2719 PolarHBondContact N-OG 2.93Å; M2687-S2719 VanDerWaalsContact N-OG 3.13Å; M2687-S2719 CarbonylContact O-C 3.52Å; M2687-S2719 VanDerWaalsContact O-CA 3.26Å; M2687-S2719 WeakPolarHBondContact O-CA 3.38Å; M2687-S2719 VanDerWaalsContact O-CB 3.32Å; M2687-S2719 WeakPolarHBondContact O-CB 3.24Å; M2687-T2720 PolarHBondContact O-N 3.05Å | ||
| 2688 | L | 98.4 | Very high | 96.3 | Very high | 18.6 Ų | 18.6 | 13.4 Ų | 13.4 | 10% | 0.097 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 111.1 | 167.1 | 175.8 | 62.2 | 0 | 0 | 0 | 108.9 | Y2388 V2392 F2396 L2665 T2666 A2667 V2690 T2720 | Y2388-L2688 HydrophobicContact CD2-CD1 4.14Å; Y2388-L2688 HydrophobicContact CE2-CD1 3.69Å; Y2388-L2688 HydrophobicContact CE2-CD2 4.28Å; V2392-L2688 HydrophobicContact CG1-CB 4.32Å; V2392-L2688 HydrophobicContact CG1-CD1 4.13Å; V2392-L2688 HydrophobicContact CG1-CD2 4.2Å; V2392-L2688 HydrophobicContact CG1-CG 4.45Å; F2396-L2688 HydrophobicContact CE1-CD2 4.39Å; F2396-L2688 HydrophobicContact CZ-CD2 4.1Å; L2665-L2688 PolarHBondContact O-N 3.11Å; T2666-L2688 CarbonylContact C-O 3.5Å; T2666-L2688 WeakPolarHBondContact CA-O 3.3Å; T2666-L2688 HydrophobicContact CG2-CB 4.43Å; T2666-L2688 HydrophobicContact CG2-CD2 4.19Å; T2666-L2688 HydrophobicContact CG2-CG 4.47Å; A2667-L2688 PolarHBondContact N-O 2.96Å; L2688-V2690 HydrophobicContact CD1-CG2 3.64Å; L2688-V2690 HydrophobicContact CG-CG2 3.96Å; L2688-T2720 WeakPolarHBondContact CA-O 3.44Å; L2688-T2720 HydrophobicContact CD1-CG2 4.07Å |
| 2689 | L | 98.3 | Very high | 96.4 | Very high | 0.2 Ų | 0.2 | 12.7 Ų | 12.7 | 0% | 0.001 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 109.7 | -171.6 | -52.2 | 173.8 | 0 | 0 | 0 | 109.2 | A2667 P2674 M2687 A2696 I2697 T2720 I2721 V2722 | A2667-L2689 HydrophobicContact CB-CD2 3.68Å; A2667-L2689 CarbonylContact O-C 3.37Å; A2667-L2689 WeakPolarHBondContact O-CA 3.37Å; P2674-L2689 HydrophobicContact CG-CD1 4.44Å; M2687-L2689 HydrophobicContact CB-CD1 4.2Å; M2687-L2689 HydrophobicContact CB-CD2 4.08Å; M2687-L2689 HydrophobicContact CB-CG 3.94Å; M2687-L2689 HydrophobicContact SD-CD1 4.35Å; M2687-L2689 HydrophobicContact SD-CD2 4.27Å; L2689-A2696 HydrophobicContact CB-CB 3.84Å; L2689-A2696 HydrophobicContact CD1-CB 3.98Å; L2689-A2696 WeakPolarHBondContact CD1-O 3.43Å; L2689-I2697 HydrophobicContact CD1-CD1 3.86Å; L2689-I2697 HydrophobicContact CD1-CG1 3.34Å; L2689-I2697 VanDerWaalsContact CD1-CG1 3.43Å; L2689-T2720 PolarHBondContact N-O 2.93Å; L2689-I2721 HydrophobicContact CB-CG1 4.35Å; L2689-I2721 HydrophobicContact CD1-CD1 4.3Å; L2689-I2721 HydrophobicContact CD1-CG1 4.25Å; L2689-I2721 WeakPolarHBondContact O-CA 3.36Å; L2689-V2722 PolarHBondContact O-N 3.3Å |
| 2690 | V | 97.3 | Very high | 96.3 | Very high | 4 Ų | 4 | 13.9 Ų | 13.9 | 2% | 0.024 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 129.3 | -167.1 | 179.5 | 0 | 0 | 0 | 0 | 110.8 | F2396 A2667 W2668 N2669 L2688 N2692 V2722 E2725 L2728 | F2396-V2690 HydrophobicContact CE1-CB 3.96Å; F2396-V2690 HydrophobicContact CE1-CG1 4.21Å; F2396-V2690 HydrophobicContact CE1-CG2 4.02Å; F2396-V2690 HydrophobicContact CZ-CB 3.98Å; F2396-V2690 HydrophobicContact CZ-CG1 3.98Å; F2396-V2690 HydrophobicContact CZ-CG2 3.69Å; A2667-V2690 PolarHBondContact O-N 3.09Å; W2668-V2690 WeakPolarHBondContact CA-O 3.4Å; W2668-V2690 HydrophobicContact CB-CB 4.17Å; W2668-V2690 VanDerWaalsContact CB-O 3.27Å; W2668-V2690 WeakPolarHBondContact CB-O 3.28Å; N2669-V2690 PolarHBondContact N-O 3.23Å; L2688-V2690 HydrophobicContact CD1-CG2 3.64Å; L2688-V2690 HydrophobicContact CG-CG2 3.96Å; V2690-N2692 VanDerWaalsContact C-N 3.27Å; V2690-N2692 PolarHBondContact N-ND2 3.16Å; V2690-N2692 PolarHBondContact O-N 3.12Å; V2690-N2692 VanDerWaalsContact O-N 3.13Å; V2690-V2722 WeakPolarHBondContact CA-O 3.33Å; V2690-V2722 HydrophobicContact CB-CB 4.34Å; V2690-V2722 HydrophobicContact CG1-CB 4.09Å; V2690-V2722 HydrophobicContact CG1-CG1 4.42Å; V2690-V2722 HydrophobicContact CG2-CB 3.96Å; V2690-V2722 HydrophobicContact CG2-CG2 3.93Å; V2690-E2725 HydrophobicContact CG1-CB 3.81Å; V2690-L2728 HydrophobicContact CG1-CD1 3.96Å |
| 2691 | N | 95.5 | Very high | 96.4 | Very high | 19.2 Ų | 19.2 | 17.1 Ų | 17.1 | 10% | 0.103 | 8% | 0.083 | C | C | . | . | S | Bend | trans | 56.7 | 32.7 | 175 | -72.2 | 21.7 | 0 | 0 | 0 | 114.3 | N2669 V2722 A2723 Y2724 E2725 L2728 T2729 | N2669-N2691 VanDerWaalsContact CA-O 3.28Å; N2669-N2691 WeakPolarHBondContact CA-O 3.3Å; N2669-N2691 PolarHBondContact N-O 2.97Å; N2669-N2691 VanDerWaalsContact N-O 3.13Å; N2669-N2691 WeakPolarHBondContact OD1-CB 3.26Å; N2669-N2691 PolarHBondContact OD1-ND2 3.17Å; N2691-V2722 PolarHBondContact N-O 3Å; N2691-A2723 WeakPolarHBondContact CA-O 3.24Å; N2691-Y2724 VanDerWaalsContact OD1-C 3.28Å; N2691-Y2724 WeakPolarHBondContact OD1-CA 3.44Å; N2691-E2725 PolarHBondContact OD1-N 2.64Å; N2691-L2728 WeakPolarHBondContact ND2-CB 3.27Å; N2691-T2729 VanDerWaalsContact ND2-CG2 3.33Å; N2691-T2729 WeakPolarHBondContact ND2-CG2 3.33Å; N2691-T2729 WeakPolarHBondContact OD1-CG2 3.44Å |
| 2692 | N | 95.6 | Very high | 96.3 | Very high | 1.4 Ų | 1.4 | 17.8 Ų | 17.8 | 1% | 0.007 | 9% | 0.086 | C | C | . | . | trans | -83.2 | 125.5 | 171.1 | -60.7 | -69.7 | 0 | 0 | 0 | 108.4 | A2667 N2670 V2690 E2694 A2695 T2737 | A2667-N2692 PolarHBondContact O-ND2 3.07Å; N2670-N2692 WeakPolarHBondContact CB-OD1 3.34Å; N2670-N2692 PolarHBondContact N-OD1 3.18Å; N2670-N2692 PolarHBondContact ND2-OD1 3.1Å; N2670-N2692 VanDerWaalsContact ND2-OD1 3.08Å; N2670-N2692 CarbonylContact O-C 3.55Å; N2670-N2692 VanDerWaalsContact O-CA 3.29Å; N2670-N2692 WeakPolarHBondContact O-CA 3.4Å; V2690-N2692 VanDerWaalsContact C-N 3.27Å; V2690-N2692 PolarHBondContact N-ND2 3.16Å; V2690-N2692 PolarHBondContact O-N 3.12Å; V2690-N2692 VanDerWaalsContact O-N 3.13Å; N2692-E2694 PolarHBondContact O-N 3.07Å; N2692-A2695 WeakPolarHBondContact CB-O 3.34Å; N2692-T2737 VanDerWaalsContact O-CB 3.28Å; N2692-T2737 WeakPolarHBondContact O-CB 3.2Å; N2692-T2737 WeakPolarHBondContact O-CG2 3.37Å; N2692-T2737 PolarHBondContact O-OG1 2.99Å | ||
| 2693 | D | 92.8 | Very high | 96 | Very high | 58.6 Ų | 58.6 | 20.6 Ų | 20.6 | 31% | 0.313 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -64.2 | -48.9 | -161.4 | -172.7 | 44.9 | 0 | 0 | 0 | 115 | K2350 N2670 N2671 H2736 T2737 | K2350-D2693 HydrophobicContact CD-CB 4.16Å; K2350-D2693 WeakPolarHBondContact CE-OD2 3.32Å; K2350-D2693 IonicContact NZ-OD2 3.64Å; K2350-D2693 PolarHBondContact NZ-OD2 3.17Å; N2670-D2693 PolarHBondContact O-N 3.09Å; N2671-D2693 PolarHBondContact O-N 3.09Å; N2671-D2693 VanDerWaalsContact O-N 3.15Å; D2693-H2736 CarbonylContact O-C 3.42Å; D2693-H2736 VanDerWaalsContact O-C 3.27Å; D2693-H2736 WeakPolarHBondContact O-CB 2.82Å; D2693-H2736 IonicContact OD1-CD2 3.08Å; D2693-H2736 IonicContact OD1-CG 2.88Å; D2693-H2736 IonicContact OD1-ND1 3.44Å; D2693-T2737 VanDerWaalsContact O-CA 3.24Å; D2693-T2737 WeakPolarHBondContact O-CA 3.39Å; D2693-T2737 VanDerWaalsContact O-CB 3.3Å; D2693-T2737 WeakPolarHBondContact O-CB 3.32Å; D2693-T2737 PolarHBondContact O-N 3.04Å; D2693-T2737 VanDerWaalsContact O-N 3.1Å; D2693-T2737 PolarHBondContact O-OG1 3.16Å |
| 2694 | E | 93.3 | Very high | 95.6 | Very high | 79.2 Ų | 79.2 | 24.2 Ų | 24.2 | 37% | 0.37 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -94.6 | -46.7 | -175.7 | -172.6 | -178 | 154.8 | 0 | 0 | 111.8 | N2671 K2672 N2692 R2738 | N2671-E2694 PolarHBondContact ND2-OE2 3.06Å; N2671-E2694 PolarHBondContact O-N 3.06Å; N2671-E2694 PolarHBondContact OD1-OE2 2.86Å; K2672-E2694 VanDerWaalsContact CE-OE1 3.25Å; K2672-E2694 WeakPolarHBondContact CE-OE1 3.33Å; K2672-E2694 WeakPolarHBondContact CE-OE2 3.29Å; K2672-E2694 HydrophobicContact CG-CB 4.14Å; K2672-E2694 IonicContact NZ-OE1 3.42Å; K2672-E2694 PolarHBondContact NZ-OE1 2.9Å; K2672-E2694 IonicContact NZ-OE2 3.07Å; N2692-E2694 PolarHBondContact O-N 3.07Å; E2694-R2738 PolarHBondContact O-N 3Å |
| 2695 | A | 96.1 | Very high | 95 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 139 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K2672 G2673 N2692 E2698 R2738 I2741 | K2672-A2695 CarbonylContact C-O 3.57Å; K2672-A2695 WeakPolarHBondContact CA-O 3.35Å; K2672-A2695 HydrophobicContact CB-CB 4.49Å; K2672-A2695 HydrophobicContact CD-CB 4.32Å; K2672-A2695 HydrophobicContact CG-CB 4.15Å; G2673-A2695 PolarHBondContact N-O 3.13Å; N2692-A2695 WeakPolarHBondContact CB-O 3.34Å; A2695-E2698 HydrophobicContact CB-CB 4.1Å; A2695-R2738 CarbonylContact C-O 3.52Å; A2695-R2738 VanDerWaalsContact CA-O 3.31Å; A2695-R2738 WeakPolarHBondContact CA-O 3.33Å; A2695-I2741 HydrophobicContact CB-CD1 3.67Å; A2695-I2741 HydrophobicContact CB-CG1 4.07Å |
| 2696 | A | 97.9 | Very high | 94.6 | Very high | 1.4 Ų | 1.4 | 26.9 Ų | 26.9 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -54.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | G2673 P2674 L2689 I2721 T2737 R2738 A2739 | G2673-A2696 CarbonylContact C-O 3.35Å; G2673-A2696 WeakPolarHBondContact CA-O 3.33Å; G2673-A2696 PolarHBondContact N-O 3.01Å; P2674-A2696 WeakPolarHBondContact CD-O 3.2Å; L2689-A2696 HydrophobicContact CB-CB 3.84Å; L2689-A2696 HydrophobicContact CD1-CB 3.98Å; L2689-A2696 WeakPolarHBondContact CD1-O 3.43Å; A2696-I2721 HydrophobicContact CB-CB 4.38Å; A2696-I2721 HydrophobicContact CB-CD1 4Å; A2696-I2721 HydrophobicContact CB-CG1 4.25Å; A2696-I2721 HydrophobicContact CB-CG2 3.29Å; A2696-T2737 HydrophobicContact CB-CG2 4.46Å; A2696-R2738 PolarHBondContact N-O 3.07Å; A2696-A2739 WeakPolarHBondContact CB-O 3.39Å |
| 2697 | I | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 133.3 | 172.4 | -55.6 | -178 | 0 | 0 | 0 | 109.2 | P2674 F2684 L2689 Y2716 I2721 A2739 V2740 I2741 M2753 | P2674-I2697 HydrophobicContact CG-CB 4.42Å; P2674-I2697 HydrophobicContact CG-CG1 3.95Å; P2674-I2697 HydrophobicContact CG-CG2 4.32Å; P2674-I2697 WeakPolarHBondContact O-CA 3.36Å; F2684-I2697 HydrophobicContact CB-CD1 4.35Å; F2684-I2697 HydrophobicContact CD2-CG2 3.55Å; F2684-I2697 HydrophobicContact CE2-CG2 3.89Å; L2689-I2697 HydrophobicContact CD1-CD1 3.86Å; L2689-I2697 HydrophobicContact CD1-CG1 3.34Å; L2689-I2697 VanDerWaalsContact CD1-CG1 3.43Å; I2697-Y2716 HydrophobicContact CD1-CD2 4.45Å; I2697-Y2716 HydrophobicContact CD1-CG 4.37Å; I2697-Y2716 HydrophobicContact CG2-CD1 4.43Å; I2697-Y2716 HydrophobicContact CG2-CD2 3.78Å; I2697-Y2716 HydrophobicContact CG2-CE1 4.22Å; I2697-Y2716 HydrophobicContact CG2-CE2 3.47Å; I2697-Y2716 VanDerWaalsContact CG2-CE2 3.47Å; I2697-Y2716 HydrophobicContact CG2-CG 4.27Å; I2697-I2721 HydrophobicContact CD1-CD1 4.23Å; I2697-I2721 HydrophobicContact CG1-CD1 4.28Å; I2697-A2739 PolarHBondContact N-O 3Å; I2697-V2740 WeakPolarHBondContact O-CA 3.24Å; I2697-I2741 PolarHBondContact O-N 2.92Å; I2697-M2753 HydrophobicContact CD1-CE 4.11Å |
| 2698 | E | 97.3 | Very high | 94 | Very high | 3.2 Ų | 3.2 | 28.5 Ų | 28.5 | 2% | 0.015 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 127.3 | 171.2 | 178.3 | 161.3 | -160.9 | 0 | 0 | 112.6 | K2672 P2674 E2675 C2676 A2695 K2700 I2741 T2769 | K2672-E2698 WeakPolarHBondContact CD-OE2 3.49Å; K2672-E2698 WeakPolarHBondContact CE-OE2 3.36Å; K2672-E2698 IonicContact NZ-OE2 3.15Å; K2672-E2698 PolarHBondContact NZ-OE2 3.03Å; P2674-E2698 PolarHBondContact O-N 3Å; E2675-E2698 CarbonylContact C-O 3.43Å; E2675-E2698 VanDerWaalsContact CA-O 3.26Å; E2675-E2698 WeakPolarHBondContact CA-O 3.42Å; E2675-E2698 HydrophobicContact CB-CB 4.44Å; E2675-E2698 HydrophobicContact CG-CB 4.16Å; E2675-E2698 HydrophobicContact CG-CG 4.18Å; C2676-E2698 PolarHBondContact N-O 2.98Å; A2695-E2698 HydrophobicContact CB-CB 4.1Å; E2698-K2700 VanDerWaalsContact CD-NZ 3.32Å; E2698-K2700 HydrophobicContact CG-CD 4.14Å; E2698-K2700 WeakPolarHBondContact OE1-CD 3.29Å; E2698-K2700 VanDerWaalsContact OE1-CE 3.24Å; E2698-K2700 WeakPolarHBondContact OE1-CE 3.37Å; E2698-K2700 IonicContact OE1-NZ 3.28Å; E2698-K2700 PolarHBondContact OE1-NZ 2.93Å; E2698-K2700 IonicContact OE2-NZ 3.12Å; E2698-K2700 PolarHBondContact OE2-NZ 2.86Å; E2698-I2741 HydrophobicContact CB-CB 3.96Å; E2698-I2741 HydrophobicContact CB-CD1 4.46Å; E2698-I2741 HydrophobicContact CG-CB 3.78Å; E2698-I2741 HydrophobicContact CG-CD1 4.4Å; E2698-I2741 HydrophobicContact CG-CG2 3.83Å; E2698-I2741 WeakPolarHBondContact OE1-CG2 3.25Å; E2698-T2769 PolarHBondContact OE1-OG1 3.04Å; E2698-T2769 VanDerWaalsContact OE1-OG1 3.12Å |
| 2699 | G | 95.5 | Very high | 93.7 | Very high | 1.2 Ų | 1.2 | 29.9 Ų | 29.9 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136.2 | 160.9 | 0 | 0 | 0 | 0 | 0 | 110 | C2676 I2741 L2742 P2743 T2769 | C2676-G2699 WeakPolarHBondContact O-CA 3.15Å; G2699-I2741 PolarHBondContact N-O 3Å; G2699-L2742 CarbonylContact O-C 3.57Å; G2699-P2743 WeakPolarHBondContact O-CA 3.31Å; G2699-T2769 WeakPolarHBondContact O-CB 3.37Å; G2699-T2769 PolarHBondContact O-OG1 3.07Å |
| 2700 | K | 94 | Very high | 93.3 | Very high | 28 Ų | 28 | 33.6 Ų | 33.6 | 12% | 0.122 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -55 | 170.5 | -56.4 | -62.2 | -161.4 | 175.8 | 0 | 111.4 | E2675 C2676 V2677 E2698 P2743 W2744 T2769 V2770 I2771 | E2675-K2700 HydrophobicContact CG-CG 4.48Å; E2675-K2700 VanDerWaalsContact OE2-CE 3.28Å; E2675-K2700 WeakPolarHBondContact OE2-CE 3.34Å; E2675-K2700 IonicContact OE2-NZ 3.55Å; C2676-K2700 PolarHBondContact O-N 2.88Å; V2677-K2700 HydrophobicContact CB-CG 4.41Å; V2677-K2700 HydrophobicContact CG1-CB 4.34Å; V2677-K2700 HydrophobicContact CG1-CG 4.35Å; V2677-K2700 HydrophobicContact CG2-CG 4.2Å; V2677-K2700 WeakPolarHBondContact O-CB 3.3Å; E2698-K2700 VanDerWaalsContact CD-NZ 3.32Å; E2698-K2700 HydrophobicContact CG-CD 4.14Å; E2698-K2700 WeakPolarHBondContact OE1-CD 3.29Å; E2698-K2700 VanDerWaalsContact OE1-CE 3.24Å; E2698-K2700 WeakPolarHBondContact OE1-CE 3.37Å; E2698-K2700 IonicContact OE1-NZ 3.28Å; E2698-K2700 PolarHBondContact OE1-NZ 2.93Å; E2698-K2700 IonicContact OE2-NZ 3.12Å; E2698-K2700 PolarHBondContact OE2-NZ 2.86Å; K2700-P2743 CarbonylContact O-C 3.54Å; K2700-P2743 WeakPolarHBondContact O-CA 3.27Å; K2700-W2744 WeakPolarHBondContact O-CB 3.49Å; K2700-W2744 PolarHBondContact O-N 2.81Å; K2700-T2769 VanDerWaalsContact CD-OG1 3.28Å; K2700-T2769 WeakPolarHBondContact CD-OG1 3.34Å; K2700-T2769 WeakPolarHBondContact O-CG2 3.31Å; K2700-V2770 PolarHBondContact NZ-O 3.03Å; K2700-V2770 VanDerWaalsContact NZ-O 3.17Å; K2700-I2771 HydrophobicContact CB-CD1 3.94Å; K2700-I2771 HydrophobicContact CB-CG1 4.3Å; K2700-I2771 HydrophobicContact CD-CG1 4.22Å |
| 2701 | R | 92.2 | Very high | 93 | Very high | 66.8 Ų | 66.8 | 37.3 Ų | 37.3 | 25% | 0.252 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 137.6 | -178.2 | -62.5 | 177.4 | 65.6 | -156 | 5.5 | 111.4 | V2677 N2678 C2679 M2703 W2744 I2771 | V2677-R2701 WeakPolarHBondContact O-CA 3.36Å; V2677-R2701 WeakPolarHBondContact O-CB 3.34Å; V2677-R2701 PolarHBondContact O-N 2.82Å; N2678-R2701 WeakPolarHBondContact OD1-CD 3.25Å; N2678-R2701 PolarHBondContact OD1-NH1 3.27Å; C2679-R2701 PolarHBondContact N-O 3.05Å; R2701-M2703 HydrophobicContact CB-CG 4.45Å; R2701-W2744 HydrophobicContact CG-CB 4.41Å; R2701-W2744 HydrophobicContact CG-CE3 4.37Å; R2701-I2771 HydrophobicContact CG-CD1 3.74Å |
| 2702 | L | 93.1 | Very high | 93 | Very high | 16.4 Ų | 16.4 | 37.4 Ų | 37.4 | 9% | 0.086 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 130.3 | 167.2 | -55.8 | 171.7 | 0 | 0 | 0 | 110 | C2679 P2714 P2743 W2744 A2745 P2746 L2748 | C2679-L2702 CarbonylContact O-C 3.5Å; C2679-L2702 VanDerWaalsContact O-CA 3.23Å; C2679-L2702 WeakPolarHBondContact O-CA 3.36Å; C2679-L2702 WeakPolarHBondContact O-CD2 3.45Å; L2702-P2714 HydrophobicContact CD1-CB 4.04Å; L2702-P2714 HydrophobicContact CD1-CG 3.88Å; L2702-P2714 HydrophobicContact CD2-CB 3.79Å; L2702-P2714 HydrophobicContact CD2-CG 3.9Å; L2702-P2714 HydrophobicContact CG-CB 4.44Å; L2702-P2714 HydrophobicContact CG-CG 4.34Å; L2702-P2743 HydrophobicContact CD1-CB 4.43Å; L2702-P2743 HydrophobicContact CD1-CG 3.68Å; L2702-P2743 HydrophobicContact CD2-CB 4.35Å; L2702-P2743 HydrophobicContact CD2-CG 4.04Å; L2702-P2743 HydrophobicContact CG-CB 3.91Å; L2702-P2743 HydrophobicContact CG-CG 3.57Å; L2702-W2744 PolarHBondContact N-O 3.25Å; L2702-A2745 HydrophobicContact CB-CB 3.73Å; L2702-A2745 HydrophobicContact CG-CB 4.43Å; L2702-A2745 VanDerWaalsContact O-CB 3.23Å; L2702-A2745 WeakPolarHBondContact O-CB 3.24Å; L2702-P2746 WeakPolarHBondContact CD1-O 3.46Å; L2702-L2748 HydrophobicContact CD1-CB 3.77Å |
| 2703 | M | 90.7 | Very high | 92.9 | Very high | 63.6 Ų | 63.6 | 37.3 Ų | 37.3 | 31% | 0.313 | 20% | 0.199 | S | C | . | . | trans | -147.3 | 147.1 | -178.6 | -58.9 | -178.2 | 67.4 | 0 | 0 | 109.3 | F2645 N2678 C2679 G2680 R2701 G2705 | F2645-M2703 WeakPolarHBondContact CD1-O 3.32Å; F2645-M2703 HydrophobicContact CE1-CB 3.78Å; F2645-M2703 HydrophobicContact CZ-CB 4.23Å; N2678-M2703 HydrophobicContact CB-SD 4.12Å; C2679-M2703 CarbonylContact C-O 3.53Å; C2679-M2703 PolarHBondContact O-N 3.02Å; G2680-M2703 WeakPolarHBondContact CA-O 3.24Å; G2680-M2703 PolarHBondContact N-O 2.95Å; R2701-M2703 HydrophobicContact CB-CG 4.45Å; M2703-G2705 PolarHBondContact O-N 2.89Å | ||
| 2704 | N | 88 | Confident | 93 | Very high | 77.4 Ų | 77.4 | 34.7 Ų | 34.7 | 41% | 0.414 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 51.5 | 58.5 | 168.9 | -60.3 | -25.9 | 0 | 0 | 0 | 113.8 | F2645 W2657 | F2645-N2704 HydrophobicContact CB-CB 4.14Å; F2645-N2704 HydrophobicContact CD1-CB 3.88Å; F2645-N2704 HydrophobicContact CD2-CB 4.44Å; F2645-N2704 HydrophobicContact CE1-CB 4.46Å; F2645-N2704 HydrophobicContact CG-CB 3.9Å; W2657-N2704 HydrophobicContact CD2-CB 4.37Å; W2657-N2704 VanDerWaalsContact CD2-O 3.25Å; W2657-N2704 HydrophobicContact CE3-CB 4.37Å; W2657-N2704 VanDerWaalsContact CE3-O 3.32Å; W2657-N2704 HydrophobicContact CH2-CB 3.7Å; W2657-N2704 HydrophobicContact CZ2-CB 3.65Å; W2657-N2704 HydrophobicContact CZ3-CB 4.07Å |
| 2705 | G | 85.8 | Confident | 93.2 | Very high | 15.8 Ų | 15.8 | 31 Ų | 31 | 16% | 0.163 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -151.7 | 172.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | M2703 L2707 | M2703-G2705 PolarHBondContact O-N 2.89Å; G2705-L2707 PolarHBondContact O-N 2.96Å |
| 2706 | N | 91 | Very high | 93.3 | Very high | 53.2 Ų | 53.2 | 31.2 Ų | 31.2 | 28% | 0.284 | 17% | 0.169 | S | C | . | . | trans | -85.5 | 99.9 | 178.8 | -62.2 | -31.5 | 0 | 0 | 0 | 109.5 | W2657 Y2708 D2709 T2712 G2713 P2714 | W2657-N2706 PolarHBondContact O-ND2 3.06Å; W2657-N2706 VanDerWaalsContact O-ND2 3.13Å; N2706-Y2708 PolarHBondContact O-N 3.09Å; N2706-D2709 HydrophobicContact CB-CB 3.78Å; N2706-D2709 PolarHBondContact O-N 2.98Å; N2706-T2712 WeakPolarHBondContact CB-OG1 3.37Å; N2706-T2712 WeakPolarHBondContact ND2-CB 3.36Å; N2706-T2712 PolarHBondContact ND2-OG1 3.13Å; N2706-G2713 WeakPolarHBondContact O-CA 3.32Å; N2706-P2714 WeakPolarHBondContact O-CD 3.09Å | ||
| 2707 | L | 90.3 | Very high | 93.3 | Very high | 60.6 Ų | 60.6 | 35.3 Ų | 35.3 | 32% | 0.317 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 130 | -175.4 | -52.1 | 180 | 0 | 0 | 0 | 111 | G2705 D2709 P2746 L3014 F3015 | G2705-L2707 PolarHBondContact O-N 2.96Å; L2707-D2709 PolarHBondContact O-N 3.04Å; L2707-P2746 HydrophobicContact CD1-CG 4.03Å; L2707-P2746 HydrophobicContact CD2-CG 4.42Å; L2707-P2746 WeakPolarHBondContact CD2-O 3.28Å; L2707-L3014 VanDerWaalsContact O-CD1 3.3Å; L2707-L3014 WeakPolarHBondContact O-CD1 3.36Å; L2707-F3015 HydrophobicContact CB-CB 4.4Å; L2707-F3015 HydrophobicContact CD1-CB 3.72Å; L2707-F3015 HydrophobicContact CD1-CD1 3.83Å; L2707-F3015 HydrophobicContact CD1-CE1 4.37Å; L2707-F3015 HydrophobicContact CD1-CG 3.93Å |
| 2708 | Y | 92.7 | Very high | 93.2 | Very high | 29 Ų | 29 | 37.6 Ų | 37.6 | 11% | 0.114 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 6.1 | 178.4 | -47.8 | -65.3 | 0 | 0 | 0 | 116.1 | N2706 P2710 P2746 G2747 E2783 L2785 L3014 F3015 | N2706-Y2708 PolarHBondContact O-N 3.09Å; Y2708-P2710 VanDerWaalsContact O-CD 3.29Å; Y2708-P2710 WeakPolarHBondContact O-CD 3.18Å; Y2708-P2746 HydrophobicContact CE2-CB 4.35Å; Y2708-P2746 VanDerWaalsContact OH-CB 3.24Å; Y2708-P2746 WeakPolarHBondContact OH-CB 3.42Å; Y2708-G2747 VanDerWaalsContact CD1-CA 3.44Å; Y2708-G2747 VanDerWaalsContact CE1-N 3.29Å; Y2708-G2747 VanDerWaalsContact CZ-N 3.29Å; Y2708-G2747 PolarHBondContact N-O 3Å; Y2708-G2747 VanDerWaalsContact N-O 3.08Å; Y2708-G2747 PolarHBondContact OH-N 2.64Å; Y2708-E2783 PolarHBondContact OH-O 3.03Å; Y2708-L2785 HydrophobicContact CD1-CD1 3.65Å; Y2708-L2785 HydrophobicContact CD1-CD2 4.44Å; Y2708-L2785 HydrophobicContact CD1-CG 3.66Å; Y2708-L2785 HydrophobicContact CE1-CD1 4.36Å; Y2708-L2785 HydrophobicContact CE1-CD2 4.38Å; Y2708-L2785 HydrophobicContact CE1-CG 3.91Å; Y2708-L2785 HydrophobicContact CG-CD1 4.11Å; Y2708-L2785 HydrophobicContact CG-CG 4.42Å; Y2708-L3014 HydrophobicContact CD2-CB 4.33Å; Y2708-F3015 HydrophobicContact CD2-CB 4.26Å; Y2708-F3015 HydrophobicContact CE2-CB 4.23Å; Y2708-F3015 HydrophobicContact CE2-CD2 4.08Å; Y2708-F3015 HydrophobicContact CE2-CG 4.41Å |
| 2709 | D | 92.8 | Very high | 93.2 | Very high | 48 Ų | 48 | 37.5 Ų | 37.5 | 26% | 0.257 | 20% | 0.196 | S | C | . | . | trans | -74.9 | 115.6 | 173.3 | -177 | -39.7 | 0 | 0 | 0 | 109.2 | N2706 L2707 T2711 T2712 G2713 | N2706-D2709 HydrophobicContact CB-CB 3.78Å; N2706-D2709 PolarHBondContact O-N 2.98Å; L2707-D2709 PolarHBondContact O-N 3.04Å; D2709-T2711 PolarHBondContact O-N 2.99Å; D2709-T2711 WeakPolarHBondContact OD1-CA 3.27Å; D2709-T2711 WeakPolarHBondContact OD1-CB 3.38Å; D2709-T2711 PolarHBondContact OD1-N 3.09Å; D2709-T2711 PolarHBondContact OD1-OG1 3.03Å; D2709-T2711 PolarHBondContact OD2-OG1 3.03Å; D2709-T2712 VanDerWaalsContact CG-OG1 3.25Å; D2709-T2712 PolarHBondContact OD1-N 3.28Å; D2709-T2712 PolarHBondContact OD1-OG1 3.36Å; D2709-T2712 VanDerWaalsContact OD1-OG1 3.08Å; D2709-T2712 PolarHBondContact OD2-OG1 2.79Å; D2709-G2713 VanDerWaalsContact O-CA 3.24Å; D2709-G2713 WeakPolarHBondContact O-CA 3.27Å; D2709-G2713 PolarHBondContact O-N 3.04Å | ||
| 2710 | P | 88.5 | Confident | 93.4 | Very high | 79.4 Ų | 79.4 | 38 Ų | 38 | 52% | 0.516 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15.1 | -176.5 | 29.5 | -35.5 | 0 | 0 | 0 | 113.1 | Q2683 Y2708 | Q2683-P2710 PolarHBondContact NE2-O 2.95Å; Y2708-P2710 VanDerWaalsContact O-CD 3.29Å; Y2708-P2710 WeakPolarHBondContact O-CD 3.18Å |
| 2711 | T | 92.3 | Very high | 93.6 | Very high | 81.2 Ų | 81.2 | 36.6 Ų | 36.6 | 50% | 0.498 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -27.9 | -175.2 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | K2659 D2709 | K2659-T2711 VanDerWaalsContact CD-O 3.24Å; K2659-T2711 WeakPolarHBondContact CD-O 3.42Å; K2659-T2711 WeakPolarHBondContact CG-O 3.35Å; K2659-T2711 PolarHBondContact NZ-O 2.97Å; D2709-T2711 PolarHBondContact O-N 2.99Å; D2709-T2711 WeakPolarHBondContact OD1-CA 3.27Å; D2709-T2711 WeakPolarHBondContact OD1-CB 3.38Å; D2709-T2711 PolarHBondContact OD1-N 3.09Å; D2709-T2711 PolarHBondContact OD1-OG1 3.03Å; D2709-T2711 PolarHBondContact OD2-OG1 3.03Å |
| 2712 | T | 94 | Very high | 93.8 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 12% | 0.123 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.8 | -9.1 | -173.4 | 60.9 | 0 | 0 | 0 | 0 | 114.1 | D2658 G2681 N2706 D2709 | D2658-T2712 CarbonylContact C-O 3.59Å; G2681-T2712 WeakPolarHBondContact CA-O 3.27Å; N2706-T2712 WeakPolarHBondContact CB-OG1 3.37Å; N2706-T2712 WeakPolarHBondContact ND2-CB 3.36Å; N2706-T2712 PolarHBondContact ND2-OG1 3.13Å; D2709-T2712 VanDerWaalsContact CG-OG1 3.25Å; D2709-T2712 PolarHBondContact OD1-N 3.28Å; D2709-T2712 PolarHBondContact OD1-OG1 3.36Å; D2709-T2712 VanDerWaalsContact OD1-OG1 3.08Å; D2709-T2712 PolarHBondContact OD2-OG1 2.79Å |
| 2713 | G | 93.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -89.1 | 176.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q2683 N2706 D2709 L2715 | Q2683-G2713 VanDerWaalsContact CG-O 3.32Å; Q2683-G2713 WeakPolarHBondContact CG-O 3.37Å; Q2683-G2713 PolarHBondContact NE2-O 2.95Å; N2706-G2713 WeakPolarHBondContact O-CA 3.32Å; D2709-G2713 VanDerWaalsContact O-CA 3.24Å; D2709-G2713 WeakPolarHBondContact O-CA 3.27Å; D2709-G2713 PolarHBondContact O-N 3.04Å; G2713-L2715 PolarHBondContact O-N 3.22Å |
| 2714 | P | 96.2 | Very high | 94.1 | Very high | 3.4 Ų | 3.4 | 30.8 Ų | 30.8 | 2% | 0.022 | 17% | 0.167 | C | C | . | . | trans | -63.8 | 126.5 | 173.1 | -5.9 | 15.4 | 0 | 0 | 0 | 111.6 | G2680 V2682 L2702 N2706 L2748 T2749 | G2680-P2714 WeakPolarHBondContact O-CB 3.4Å; G2680-P2714 VanDerWaalsContact O-CD 3.28Å; G2680-P2714 WeakPolarHBondContact O-CD 3.34Å; G2680-P2714 VanDerWaalsContact O-CG 3.24Å; G2680-P2714 WeakPolarHBondContact O-CG 3.37Å; V2682-P2714 WeakPolarHBondContact O-CA 3.3Å; L2702-P2714 HydrophobicContact CD1-CB 4.04Å; L2702-P2714 HydrophobicContact CD1-CG 3.88Å; L2702-P2714 HydrophobicContact CD2-CB 3.79Å; L2702-P2714 HydrophobicContact CD2-CG 3.9Å; L2702-P2714 HydrophobicContact CG-CB 4.44Å; L2702-P2714 HydrophobicContact CG-CG 4.34Å; N2706-P2714 WeakPolarHBondContact O-CD 3.09Å; P2714-L2748 HydrophobicContact CB-CB 4.49Å; P2714-L2748 HydrophobicContact CB-CD1 4.28Å; P2714-T2749 PolarHBondContact O-N 2.9Å | ||
| 2715 | L | 97.3 | Very high | 94.4 | Very high | 1.8 Ų | 1.8 | 27.8 Ų | 27.8 | 1% | 0.009 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 128.1 | -172.8 | 177.8 | 67.4 | 0 | 0 | 0 | 111.7 | V2682 Q2683 F2684 G2713 R2717 T2749 E2751 | V2682-L2715 PolarHBondContact O-N 3.04Å; Q2683-L2715 CarbonylContact C-O 3.37Å; Q2683-L2715 WeakPolarHBondContact CA-O 3.31Å; Q2683-L2715 HydrophobicContact CB-CB 4.26Å; Q2683-L2715 WeakPolarHBondContact CB-O 3.33Å; Q2683-L2715 HydrophobicContact CG-CB 3.81Å; F2684-L2715 PolarHBondContact N-O 3.23Å; G2713-L2715 PolarHBondContact O-N 3.22Å; L2715-R2717 HydrophobicContact CD1-CB 4.39Å; L2715-R2717 HydrophobicContact CD2-CB 4.2Å; L2715-R2717 HydrophobicContact CG-CB 4.01Å; L2715-T2749 WeakPolarHBondContact CA-O 3.42Å; L2715-T2749 HydrophobicContact CD1-CG2 3.82Å; L2715-E2751 HydrophobicContact CD1-CB 4.41Å; L2715-E2751 HydrophobicContact CD1-CG 4.05Å |
| 2716 | Y | 97.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.016 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 119.7 | 168.5 | -55.3 | -20.9 | 0 | 0 | 0 | 108.8 | F2684 I2697 V2740 L2748 T2749 V2750 E2751 | F2684-Y2716 HydrophobicContact CB-CD1 3.91Å; F2684-Y2716 HydrophobicContact CB-CE1 4.44Å; F2684-Y2716 AromaticContact CD2-CD1 3.48Å; F2684-Y2716 HydrophobicContact CD2-CD1 3.48Å; F2684-Y2716 VanDerWaalsContact CD2-CD1 3.48Å; F2684-Y2716 AromaticContact CD2-CE1 3.22Å; F2684-Y2716 HydrophobicContact CD2-CE1 3.22Å; F2684-Y2716 HydrophobicContact CD2-CG 4.37Å; F2684-Y2716 AromaticContact CD2-CZ 3.89Å; F2684-Y2716 HydrophobicContact CE2-CD1 4.39Å; F2684-Y2716 AromaticContact CE2-CE1 3.69Å; F2684-Y2716 HydrophobicContact CE2-CE1 3.69Å; F2684-Y2716 HydrophobicContact CG-CD1 4.08Å; F2684-Y2716 HydrophobicContact CG-CE1 4.16Å; F2684-Y2716 CarbonylContact O-C 3.52Å; F2684-Y2716 WeakPolarHBondContact O-CA 3.29Å; I2697-Y2716 HydrophobicContact CD1-CD2 4.45Å; I2697-Y2716 HydrophobicContact CD1-CG 4.37Å; I2697-Y2716 HydrophobicContact CG2-CD1 4.43Å; I2697-Y2716 HydrophobicContact CG2-CD2 3.78Å; I2697-Y2716 HydrophobicContact CG2-CE1 4.22Å; I2697-Y2716 HydrophobicContact CG2-CE2 3.47Å; I2697-Y2716 VanDerWaalsContact CG2-CE2 3.47Å; I2697-Y2716 HydrophobicContact CG2-CG 4.27Å; Y2716-V2740 HydrophobicContact CD2-CG1 3.96Å; Y2716-V2740 HydrophobicContact CE2-CG1 4.03Å; Y2716-L2748 HydrophobicContact CD1-CD1 3.91Å; Y2716-L2748 HydrophobicContact CD2-CD1 3.85Å; Y2716-L2748 HydrophobicContact CD2-CD2 3.86Å; Y2716-L2748 HydrophobicContact CD2-CG 4.4Å; Y2716-L2748 HydrophobicContact CE1-CD1 3.83Å; Y2716-L2748 HydrophobicContact CE2-CD1 3.81Å; Y2716-L2748 HydrophobicContact CE2-CD2 3.5Å; Y2716-L2748 VanDerWaalsContact CE2-CD2 3.46Å; Y2716-L2748 HydrophobicContact CE2-CG 4.3Å; Y2716-L2748 HydrophobicContact CG-CD1 3.89Å; Y2716-T2749 PolarHBondContact N-O 3.16Å; Y2716-V2750 HydrophobicContact CD2-CG2 4.19Å; Y2716-V2750 CarbonylContact O-C 3.5Å; Y2716-V2750 WeakPolarHBondContact O-CA 3.37Å; Y2716-E2751 PolarHBondContact O-N 2.92Å |
| 2717 | R | 97 | Very high | 94.6 | Very high | 87.6 Ų | 87.6 | 31.2 Ų | 31.2 | 33% | 0.331 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 151.7 | -167.1 | -177.6 | 177.7 | 170.7 | 171.4 | 6.7 | 114.7 | F2684 E2685 D2686 L2715 S2719 E2751 | F2684-R2717 PolarHBondContact O-N 2.89Å; E2685-R2717 CarbonylContact C-O 3.49Å; E2685-R2717 VanDerWaalsContact CA-O 3.31Å; E2685-R2717 WeakPolarHBondContact CA-O 3.34Å; E2685-R2717 HydrophobicContact CG-CB 4.33Å; E2685-R2717 IonicContact OE1-CZ 3.65Å; E2685-R2717 IonicContact OE1-NE 3.52Å; E2685-R2717 IonicContact OE1-NH2 3.02Å; E2685-R2717 PolarHBondContact OE1-NH2 2.87Å; E2685-R2717 IonicContact OE2-CZ 3.41Å; E2685-R2717 IonicContact OE2-NH2 2.7Å; E2685-R2717 PolarHBondContact OE2-NH2 2.95Å; D2686-R2717 PolarHBondContact N-O 3.02Å; D2686-R2717 VanDerWaalsContact N-O 3.07Å; L2715-R2717 HydrophobicContact CD1-CB 4.39Å; L2715-R2717 HydrophobicContact CD2-CB 4.2Å; L2715-R2717 HydrophobicContact CG-CB 4.01Å; R2717-S2719 PolarHBondContact O-N 2.98Å; R2717-S2719 VanDerWaalsContact O-N 3.1Å; R2717-S2719 PolarHBondContact O-OG 3.13Å; R2717-E2751 VanDerWaalsContact CA-O 3.23Å; R2717-E2751 WeakPolarHBondContact CA-O 3.33Å; R2717-E2751 HydrophobicContact CB-CG 3.95Å; R2717-E2751 WeakPolarHBondContact CD-OE1 3.4Å; R2717-E2751 HydrophobicContact CG-CB 4.29Å; R2717-E2751 HydrophobicContact CG-CG 3.95Å; R2717-E2751 IonicContact CZ-OE1 3.58Å; R2717-E2751 IonicContact CZ-OE2 3.92Å; R2717-E2751 IonicContact NE-OE1 3.48Å; R2717-E2751 PolarHBondContact NE-OE1 2.84Å; R2717-E2751 VanDerWaalsContact NE-OE1 3.16Å; R2717-E2751 IonicContact NE-OE2 3.6Å; R2717-E2751 IonicContact NH1-OE1 2.84Å; R2717-E2751 PolarHBondContact NH1-OE1 3.43Å; R2717-E2751 IonicContact NH2-OE1 3.43Å |
| 2718 | N | 97.1 | Very high | 94.6 | Very high | 48.8 Ų | 48.8 | 29.6 Ų | 29.6 | 26% | 0.261 | 16% | 0.159 | S | C | . | . | S | Bend | trans | 55.7 | 28.4 | 167.5 | -66.4 | -7.9 | 0 | 0 | 0 | 114.1 | D2686 E2751 N2752 | D2686-N2718 VanDerWaalsContact CA-O 3.3Å; D2686-N2718 WeakPolarHBondContact CA-O 3.3Å; D2686-N2718 WeakPolarHBondContact OD1-CB 3.34Å; D2686-N2718 PolarHBondContact OD1-ND2 2.86Å; N2718-E2751 PolarHBondContact N-O 3.06Å; N2718-E2751 VanDerWaalsContact N-O 3.16Å; N2718-N2752 CarbonylContact C-O 3.36Å; N2718-N2752 WeakPolarHBondContact CA-O 3.42Å; N2718-N2752 PolarHBondContact N-O 2.93Å; N2718-N2752 VanDerWaalsContact N-O 3.14Å; N2718-N2752 PolarHBondContact OD1-ND2 3.1Å |
| 2719 | S | 97.9 | Very high | 94.3 | Very high | 0.8 Ų | 0.8 | 29.9 Ų | 29.9 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | trans | -108.8 | 143 | -171.1 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | M2687 R2717 N2752 M2753 V2754 | M2687-S2719 WeakPolarHBondContact CB-OG 3.33Å; M2687-S2719 WeakPolarHBondContact CG-OG 3.4Å; M2687-S2719 PolarHBondContact N-OG 2.93Å; M2687-S2719 VanDerWaalsContact N-OG 3.13Å; M2687-S2719 CarbonylContact O-C 3.52Å; M2687-S2719 VanDerWaalsContact O-CA 3.26Å; M2687-S2719 WeakPolarHBondContact O-CA 3.38Å; M2687-S2719 VanDerWaalsContact O-CB 3.32Å; M2687-S2719 WeakPolarHBondContact O-CB 3.24Å; R2717-S2719 PolarHBondContact O-N 2.98Å; R2717-S2719 VanDerWaalsContact O-N 3.1Å; R2717-S2719 PolarHBondContact O-OG 3.13Å; S2719-N2752 PolarHBondContact N-O 2.76Å; S2719-M2753 WeakPolarHBondContact O-CA 3.29Å; S2719-M2753 WeakPolarHBondContact O-CG 3.26Å; S2719-V2754 PolarHBondContact O-N 3.23Å | ||
| 2720 | T | 98.3 | Very high | 93.7 | Very high | 11.6 Ų | 11.6 | 34.5 Ų | 34.5 | 7% | 0.071 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 118.9 | 174 | -57.3 | 0 | 0 | 0 | 0 | 108.8 | Y2388 N2390 M2687 L2688 L2689 V2722 V2754 | Y2388-T2720 HydrophobicContact CD1-CG2 4.24Å; Y2388-T2720 HydrophobicContact CD2-CG2 4.44Å; Y2388-T2720 HydrophobicContact CG-CG2 4.21Å; N2390-T2720 PolarHBondContact ND2-OG1 2.95Å; M2687-T2720 PolarHBondContact O-N 3.05Å; L2688-T2720 WeakPolarHBondContact CA-O 3.44Å; L2688-T2720 HydrophobicContact CD1-CG2 4.07Å; L2689-T2720 PolarHBondContact N-O 2.93Å; T2720-V2722 HydrophobicContact CG2-CG2 4.25Å; T2720-V2754 HydrophobicContact CG2-CB 4.26Å; T2720-V2754 HydrophobicContact CG2-CG1 4.41Å |
| 2721 | I | 98 | Very high | 93.3 | Very high | 0.2 Ų | 0.2 | 33.2 Ų | 33.2 | 0% | 0.001 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.6 | -178.6 | -56.4 | -177.4 | 0 | 0 | 0 | 109.3 | L2689 A2696 I2697 A2739 V2740 M2753 V2754 M2755 K2756 F2758 | L2689-I2721 HydrophobicContact CB-CG1 4.35Å; L2689-I2721 HydrophobicContact CD1-CD1 4.3Å; L2689-I2721 HydrophobicContact CD1-CG1 4.25Å; L2689-I2721 WeakPolarHBondContact O-CA 3.36Å; A2696-I2721 HydrophobicContact CB-CB 4.38Å; A2696-I2721 HydrophobicContact CB-CD1 4Å; A2696-I2721 HydrophobicContact CB-CG1 4.25Å; A2696-I2721 HydrophobicContact CB-CG2 3.29Å; I2697-I2721 HydrophobicContact CD1-CD1 4.23Å; I2697-I2721 HydrophobicContact CG1-CD1 4.28Å; I2721-A2739 HydrophobicContact CB-CB 4.45Å; I2721-A2739 HydrophobicContact CD1-CB 4.13Å; I2721-A2739 WeakPolarHBondContact CD1-O 3.27Å; I2721-A2739 HydrophobicContact CG2-CB 3.92Å; I2721-V2740 HydrophobicContact CD1-CG2 4.34Å; I2721-M2753 HydrophobicContact CD1-CE 3.51Å; I2721-M2753 HydrophobicContact CD1-CG 4.17Å; I2721-M2753 HydrophobicContact CD1-SD 3.47Å; I2721-M2753 WeakPolarHBondContact CD1-SD 3.49Å; I2721-M2753 HydrophobicContact CG1-CE 3.98Å; I2721-M2753 HydrophobicContact CG1-CG 4.39Å; I2721-M2753 HydrophobicContact CG1-SD 4.32Å; I2721-V2754 PolarHBondContact N-O 3.13Å; I2721-M2755 HydrophobicContact CB-SD 4.05Å; I2721-M2755 HydrophobicContact CD1-CE 4.3Å; I2721-M2755 HydrophobicContact CD1-SD 4.01Å; I2721-M2755 HydrophobicContact CG1-SD 4.31Å; I2721-K2756 PolarHBondContact O-N 2.93Å; I2721-F2758 HydrophobicContact CG2-CE2 4.15Å; I2721-F2758 HydrophobicContact CG2-CZ 3.83Å |
| 2722 | V | 97.1 | Very high | 92.9 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 117.7 | -178.9 | -172.1 | 0 | 0 | 0 | 0 | 108.7 | Y2388 L2689 V2690 N2691 T2720 Y2724 E2725 K2756 | Y2388-V2722 HydrophobicContact CD1-CG2 4.39Å; Y2388-V2722 HydrophobicContact CE1-CG2 3.63Å; L2689-V2722 PolarHBondContact O-N 3.3Å; V2690-V2722 WeakPolarHBondContact CA-O 3.33Å; V2690-V2722 HydrophobicContact CB-CB 4.34Å; V2690-V2722 HydrophobicContact CG1-CB 4.09Å; V2690-V2722 HydrophobicContact CG1-CG1 4.42Å; V2690-V2722 HydrophobicContact CG2-CB 3.96Å; V2690-V2722 HydrophobicContact CG2-CG2 3.93Å; N2691-V2722 PolarHBondContact N-O 3Å; T2720-V2722 HydrophobicContact CG2-CG2 4.25Å; V2722-Y2724 VanDerWaalsContact CG1-O 3.28Å; V2722-Y2724 WeakPolarHBondContact CG1-O 3.36Å; V2722-E2725 HydrophobicContact CG1-CB 4.41Å; V2722-K2756 WeakPolarHBondContact CA-O 3.3Å; V2722-K2756 HydrophobicContact CB-CB 4.47Å; V2722-K2756 HydrophobicContact CG1-CB 4.38Å; V2722-K2756 HydrophobicContact CG1-CD 4.14Å; V2722-K2756 HydrophobicContact CG1-CG 4.36Å; V2722-K2756 HydrophobicContact CG2-CB 4.18Å; V2722-K2756 HydrophobicContact CG2-CD 4.13Å |
| 2723 | A | 96.1 | Very high | 92.4 | Very high | 2.4 Ų | 2.4 | 35.6 Ų | 35.6 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -63 | -48.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | N2691 C2735 T2737 K2756 N2757 F2758 C2763 | N2691-A2723 WeakPolarHBondContact CA-O 3.24Å; A2723-C2735 HydrophobicContact CB-CB 4.26Å; A2723-T2737 HydrophobicContact CB-CG2 3.65Å; A2723-T2737 PolarHBondContact O-OG1 3.05Å; A2723-K2756 PolarHBondContact N-O 2.77Å; A2723-N2757 HydrophobicContact CB-CB 4.45Å; A2723-N2757 WeakPolarHBondContact CB-O 3.24Å; A2723-F2758 HydrophobicContact CB-CD1 3.76Å; A2723-F2758 HydrophobicContact CB-CD2 4.14Å; A2723-F2758 HydrophobicContact CB-CE1 3.67Å; A2723-F2758 HydrophobicContact CB-CE2 4.05Å; A2723-F2758 HydrophobicContact CB-CG 3.99Å; A2723-F2758 HydrophobicContact CB-CZ 3.79Å; A2723-C2763 VanDerWaalsContact CB-SG 3.57Å |
| 2724 | Y | 94.3 | Very high | 92 | Very high | 19.6 Ų | 19.6 | 39.3 Ų | 39.3 | 8% | 0.077 | 22% | 0.223 | C | C | . | . | trans | -143.4 | 142.7 | 170.6 | 67.6 | -86.8 | 0 | 0 | 0 | 110.3 | N2691 V2722 P2726 S2733 C2735 N2757 N2759 | N2691-Y2724 VanDerWaalsContact OD1-C 3.28Å; N2691-Y2724 WeakPolarHBondContact OD1-CA 3.44Å; V2722-Y2724 VanDerWaalsContact CG1-O 3.28Å; V2722-Y2724 WeakPolarHBondContact CG1-O 3.36Å; Y2724-P2726 HydrophobicContact CD2-CG 4.24Å; Y2724-P2726 HydrophobicContact CE2-CG 4.09Å; Y2724-S2733 WeakPolarHBondContact CD1-O 3.46Å; Y2724-S2733 VanDerWaalsContact CE1-O 3.26Å; Y2724-S2733 WeakPolarHBondContact CE1-O 3.32Å; Y2724-C2735 HydrophobicContact CD1-CB 4.06Å; Y2724-C2735 VanDerWaalsContact CD1-SG 3.54Å; Y2724-N2757 HydrophobicContact CD1-CB 3.92Å; Y2724-N2757 WeakPolarHBondContact CD1-O 3.41Å; Y2724-N2757 HydrophobicContact CE1-CB 3.65Å; Y2724-N2757 VanDerWaalsContact CE1-O 3.23Å; Y2724-N2757 WeakPolarHBondContact CE1-O 3.34Å; Y2724-N2757 HydrophobicContact CE2-CB 4.35Å; Y2724-N2757 HydrophobicContact CG-CB 4.44Å; Y2724-N2757 PolarHBondContact O-ND2 2.95Å; Y2724-N2759 VanDerWaalsContact CE1-OD1 3.27Å; Y2724-N2759 WeakPolarHBondContact CE1-OD1 3.3Å; Y2724-N2759 PolarHBondContact OH-ND2 3.05Å; Y2724-N2759 PolarHBondContact OH-OD1 3.01Å | ||
| 2725 | E | 94.3 | Very high | 91.6 | Very high | 14 Ų | 14 | 39.4 Ų | 39.4 | 7% | 0.065 | 22% | 0.224 | C | C | . | . | trans | -112.3 | 112.7 | 171.6 | -179.4 | 57.8 | -117.4 | 0 | 0 | 108.8 | K2386 Y2388 V2690 N2691 V2722 D2727 L2728 T2729 K2756 | K2386-E2725 VanDerWaalsContact CE-OE1 3.26Å; K2386-E2725 WeakPolarHBondContact CE-OE1 3.23Å; K2386-E2725 WeakPolarHBondContact CE-OE2 3.42Å; K2386-E2725 IonicContact NZ-OE1 3.09Å; K2386-E2725 PolarHBondContact NZ-OE1 2.88Å; K2386-E2725 IonicContact NZ-OE2 3.43Å; Y2388-E2725 WeakPolarHBondContact CE1-OE2 3.29Å; Y2388-E2725 PolarHBondContact OH-OE2 2.81Å; V2690-E2725 HydrophobicContact CG1-CB 3.81Å; N2691-E2725 PolarHBondContact OD1-N 2.64Å; V2722-E2725 HydrophobicContact CG1-CB 4.41Å; E2725-D2727 HydrophobicContact CG-CB 4.29Å; E2725-D2727 PolarHBondContact O-N 3.13Å; E2725-D2727 VanDerWaalsContact O-N 3.1Å; E2725-L2728 HydrophobicContact CB-CB 4.46Å; E2725-L2728 HydrophobicContact CB-CD1 4.12Å; E2725-L2728 HydrophobicContact CB-CG 4.13Å; E2725-L2728 HydrophobicContact CG-CD1 4.39Å; E2725-L2728 HydrophobicContact CG-CG 4.14Å; E2725-L2728 WeakPolarHBondContact O-CA 3.41Å; E2725-L2728 PolarHBondContact O-N 3.04Å; E2725-T2729 PolarHBondContact O-N 3.11Å; E2725-T2729 VanDerWaalsContact O-N 3.17Å; E2725-T2729 PolarHBondContact O-OG1 3Å; E2725-K2756 IonicContact OE1-NZ 2.73Å; E2725-K2756 IonicContact OE2-NZ 3.25Å; E2725-K2756 PolarHBondContact OE2-NZ 3.07Å | ||
| 2726 | P | 91.3 | Very high | 91.3 | Very high | 47.4 Ų | 47.4 | 43.3 Ų | 43.3 | 31% | 0.308 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -36.4 | -177.5 | -32.5 | 36.6 | 0 | 0 | 0 | 115.1 | Y2724 L2728 T2729 N2730 G2731 | Y2724-P2726 HydrophobicContact CD2-CG 4.24Å; Y2724-P2726 HydrophobicContact CE2-CG 4.09Å; P2726-L2728 PolarHBondContact O-N 2.84Å; P2726-T2729 WeakPolarHBondContact CA-OG1 3.23Å; P2726-T2729 PolarHBondContact O-N 3.12Å; P2726-T2729 PolarHBondContact O-OG1 2.86Å; P2726-N2730 PolarHBondContact O-N 3.11Å; P2726-N2730 VanDerWaalsContact O-N 3.17Å; P2726-G2731 PolarHBondContact O-N 2.87Å |
| 2727 | D | 89.9 | Confident | 91.1 | Very high | 91.8 Ų | 91.8 | 43.3 Ų | 43.3 | 49% | 0.491 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -22.2 | 179.8 | -61.9 | -21.1 | 0 | 0 | 0 | 112.5 | V2384 K2386 E2725 | V2384-D2727 HydrophobicContact CG1-CB 3.83Å; K2386-D2727 IonicContact NZ-OD2 3.55Å; K2386-D2727 PolarHBondContact NZ-OD2 2.94Å; E2725-D2727 HydrophobicContact CG-CB 4.29Å; E2725-D2727 PolarHBondContact O-N 3.13Å; E2725-D2727 VanDerWaalsContact O-N 3.1Å |
| 2728 | L | 90.9 | Very high | 91.1 | Very high | 28 Ų | 28 | 40.9 Ų | 40.9 | 15% | 0.147 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -18.3 | 177.7 | -55.2 | -177.3 | 0 | 0 | 0 | 113 | L2382 V2384 F2396 W2668 V2690 N2691 E2725 P2726 | L2382-L2728 HydrophobicContact CD1-CD2 3.96Å; V2384-L2728 HydrophobicContact CB-CD2 3.94Å; V2384-L2728 HydrophobicContact CG1-CD2 4.08Å; V2384-L2728 HydrophobicContact CG2-CD2 4.16Å; F2396-L2728 HydrophobicContact CB-CD1 4.07Å; F2396-L2728 HydrophobicContact CB-CD2 3.53Å; F2396-L2728 HydrophobicContact CB-CG 4.44Å; F2396-L2728 HydrophobicContact CD1-CD1 3.93Å; F2396-L2728 HydrophobicContact CD2-CD1 3.79Å; F2396-L2728 HydrophobicContact CD2-CD2 3.96Å; F2396-L2728 HydrophobicContact CD2-CG 4.27Å; F2396-L2728 HydrophobicContact CE1-CD1 4.33Å; F2396-L2728 HydrophobicContact CE2-CD1 4.19Å; F2396-L2728 HydrophobicContact CG-CD1 3.65Å; F2396-L2728 HydrophobicContact CG-CD2 3.91Å; F2396-L2728 HydrophobicContact CG-CG 4.35Å; F2396-L2728 HydrophobicContact CZ-CD1 4.46Å; W2668-L2728 HydrophobicContact CB-CD1 4.37Å; W2668-L2728 HydrophobicContact CE3-CD1 4.23Å; W2668-L2728 HydrophobicContact CG-CD1 4.36Å; V2690-L2728 HydrophobicContact CG1-CD1 3.96Å; N2691-L2728 WeakPolarHBondContact ND2-CB 3.27Å; E2725-L2728 HydrophobicContact CB-CB 4.46Å; E2725-L2728 HydrophobicContact CB-CD1 4.12Å; E2725-L2728 HydrophobicContact CB-CG 4.13Å; E2725-L2728 HydrophobicContact CG-CD1 4.39Å; E2725-L2728 HydrophobicContact CG-CG 4.14Å; E2725-L2728 WeakPolarHBondContact O-CA 3.41Å; E2725-L2728 PolarHBondContact O-N 3.04Å; P2726-L2728 PolarHBondContact O-N 2.84Å |
| 2729 | T | 84.8 | Confident | 91.1 | Very high | 35.4 Ų | 35.4 | 38.5 Ų | 38.5 | 22% | 0.217 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.2 | 14 | -174.9 | 62.2 | 0 | 0 | 0 | 0 | 113.6 | N2691 E2725 P2726 G2731 N2732 | N2691-T2729 VanDerWaalsContact ND2-CG2 3.33Å; N2691-T2729 WeakPolarHBondContact ND2-CG2 3.33Å; N2691-T2729 WeakPolarHBondContact OD1-CG2 3.44Å; E2725-T2729 PolarHBondContact O-N 3.11Å; E2725-T2729 VanDerWaalsContact O-N 3.17Å; E2725-T2729 PolarHBondContact O-OG1 3Å; P2726-T2729 WeakPolarHBondContact CA-OG1 3.23Å; P2726-T2729 PolarHBondContact O-N 3.12Å; P2726-T2729 PolarHBondContact O-OG1 2.86Å; T2729-G2731 PolarHBondContact O-N 3.2Å; T2729-N2732 WeakPolarHBondContact CB-O 3.35Å; T2729-N2732 VanDerWaalsContact O-CB 3.29Å; T2729-N2732 WeakPolarHBondContact O-CB 3.41Å; T2729-N2732 PolarHBondContact O-N 3.17Å; T2729-N2732 PolarHBondContact OG1-N 2.99Å; T2729-N2732 PolarHBondContact OG1-O 2.91Å |
| 2730 | N | 80.7 | Confident | 91.1 | Very high | 144 Ų | 144 | 38.5 Ų | 38.5 | 77% | 0.77 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 37.1 | -172.2 | -64.9 | -33.5 | 0 | 0 | 0 | 112.5 | P2726 N2732 | P2726-N2730 PolarHBondContact O-N 3.11Å; P2726-N2730 VanDerWaalsContact O-N 3.17Å; N2730-N2732 VanDerWaalsContact C-N 3.3Å; N2730-N2732 PolarHBondContact O-N 3Å |
| 2731 | G | 80.6 | Confident | 91 | Very high | 51.8 Ų | 51.8 | 38.3 Ų | 38.3 | 53% | 0.534 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | -0.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | P2726 T2729 S2733 | P2726-G2731 PolarHBondContact O-N 2.87Å; T2729-G2731 PolarHBondContact O-N 3.2Å; G2731-S2733 PolarHBondContact O-N 2.94Å |
| 2732 | N | 83.1 | Confident | 91 | Very high | 93.2 Ų | 93.2 | 38.3 Ų | 38.3 | 50% | 0.498 | 22% | 0.219 | S | C | . | . | trans | -67.3 | 124.4 | 174.9 | -172.7 | 4.9 | 0 | 0 | 0 | 110.3 | T2729 N2730 D2734 | T2729-N2732 WeakPolarHBondContact CB-O 3.35Å; T2729-N2732 VanDerWaalsContact O-CB 3.29Å; T2729-N2732 WeakPolarHBondContact O-CB 3.41Å; T2729-N2732 PolarHBondContact O-N 3.17Å; T2729-N2732 PolarHBondContact OG1-N 2.99Å; T2729-N2732 PolarHBondContact OG1-O 2.91Å; N2730-N2732 VanDerWaalsContact C-N 3.3Å; N2730-N2732 PolarHBondContact O-N 3Å; N2732-D2734 WeakPolarHBondContact OD1-CB 3.27Å; N2732-D2734 PolarHBondContact OD1-N 3.08Å | ||
| 2733 | S | 83.4 | Confident | 90.9 | Very high | 59.6 Ų | 59.6 | 38.2 Ų | 38.2 | 42% | 0.417 | 22% | 0.218 | S | C | . | . | trans | -96.1 | 1.6 | 178.8 | 61.9 | 0 | 0 | 0 | 0 | 113.9 | Y2724 G2731 C2735 S2760 | Y2724-S2733 WeakPolarHBondContact CD1-O 3.46Å; Y2724-S2733 VanDerWaalsContact CE1-O 3.26Å; Y2724-S2733 WeakPolarHBondContact CE1-O 3.32Å; G2731-S2733 PolarHBondContact O-N 2.94Å; S2733-C2735 PolarHBondContact O-N 2.84Å; S2733-S2760 VanDerWaalsContact O-CB 3.29Å; S2733-S2760 WeakPolarHBondContact O-CB 3.27Å; S2733-S2760 PolarHBondContact O-OG 3.27Å | ||
| 2734 | D | 85.3 | Confident | 90.6 | Very high | 76.4 Ų | 76.4 | 38.5 Ų | 38.5 | 41% | 0.409 | 22% | 0.219 | S | C | . | . | trans | -66.7 | 131.7 | 176.2 | -164.2 | 17.7 | 0 | 0 | 0 | 110.7 | N2732 H2736 S2760 N2762 | N2732-D2734 WeakPolarHBondContact OD1-CB 3.27Å; N2732-D2734 PolarHBondContact OD1-N 3.08Å; D2734-H2736 IonicContact OD1-CE1 3.38Å; D2734-H2736 IonicContact OD2-CE1 3.24Å; D2734-H2736 IonicContact OD2-NE2 3.52Å; D2734-S2760 PolarHBondContact OD1-OG 3.09Å; D2734-N2762 PolarHBondContact OD1-ND2 2.99Å | ||
| 2735 | C | 89.2 | Confident | 90.4 | Very high | 5.6 Ų | 5.6 | 38.1 Ų | 38.1 | 4% | 0.038 | 22% | 0.219 | C | C | . | . | trans | -145.1 | 142.2 | 179.7 | 51.1 | 0 | 0 | 0 | 0 | 111.2 | A2723 Y2724 S2733 T2737 S2760 N2762 C2763 | A2723-C2735 HydrophobicContact CB-CB 4.26Å; Y2724-C2735 HydrophobicContact CD1-CB 4.06Å; Y2724-C2735 VanDerWaalsContact CD1-SG 3.54Å; S2733-C2735 PolarHBondContact O-N 2.84Å; C2735-T2737 HydrophobicContact CB-CG2 4.44Å; C2735-S2760 PolarHBondContact N-OG 3.18Å; C2735-S2760 PolarHBondContact O-OG 3.04Å; C2735-S2760 WeakPolarHBondContact SG-CB 3.47Å; C2735-N2762 CarbonylContact O-C 3.41Å; C2735-N2762 VanDerWaalsContact O-CB 3.24Å; C2735-N2762 WeakPolarHBondContact O-CB 3.36Å; C2735-C2763 HydrophobicContact CB-CB 3.71Å; C2735-C2763 WeakPolarHBondContact CB-SG 3.32Å; C2735-C2763 VanDerWaalsContact O-CB 3.28Å; C2735-C2763 WeakPolarHBondContact O-CB 3.25Å; C2735-C2763 PolarHBondContact O-N 2.97Å; C2735-C2763 PolarHBondContact O-SG 2.81Å; C2735-C2763 VanDerWaalsContact O-SG 3.41Å; C2735-C2763 WeakPolarHBondContact SG-CB 3.23Å; C2735-C2763 CovalentContact SG-SG 2.04Å; C2735-C2763 PolarHBondContact SG-SG 2.77Å | ||
| 2736 | H | 89.5 | Confident | 90.3 | Very high | 84.8 Ų | 84.8 | 38.2 Ų | 38.2 | 39% | 0.393 | 22% | 0.221 | S | C | . | . | trans | -111.7 | -1.9 | 172.2 | -57.4 | -61.8 | 0 | 0 | 0 | 112.6 | D2693 D2734 R2738 N2762 | D2693-H2736 CarbonylContact O-C 3.42Å; D2693-H2736 VanDerWaalsContact O-C 3.27Å; D2693-H2736 WeakPolarHBondContact O-CB 2.82Å; D2693-H2736 IonicContact OD1-CD2 3.08Å; D2693-H2736 IonicContact OD1-CG 2.88Å; D2693-H2736 IonicContact OD1-ND1 3.44Å; D2734-H2736 IonicContact OD1-CE1 3.38Å; D2734-H2736 IonicContact OD2-CE1 3.24Å; D2734-H2736 IonicContact OD2-NE2 3.52Å; H2736-R2738 PolarHBondContact O-NH1 3.12Å; H2736-N2762 VanDerWaalsContact CD2-CB 3.49Å; H2736-N2762 WeakPolarHBondContact CD2-CB 3.33Å; H2736-N2762 PolarHBondContact CE1-ND2 2.99Å; H2736-N2762 VanDerWaalsContact ND1-CB 3.29Å; H2736-N2762 WeakPolarHBondContact ND1-CB 3.25Å; H2736-N2762 PolarHBondContact NE2-ND2 3.12Å | ||
| 2737 | T | 93.8 | Very high | 90.3 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | trans | -67.3 | 145.5 | -169.1 | -61 | 0 | 0 | 0 | 0 | 113.8 | N2692 D2693 A2696 A2723 C2735 F2758 C2763 T2764 | N2692-T2737 VanDerWaalsContact O-CB 3.28Å; N2692-T2737 WeakPolarHBondContact O-CB 3.2Å; N2692-T2737 WeakPolarHBondContact O-CG2 3.37Å; N2692-T2737 PolarHBondContact O-OG1 2.99Å; D2693-T2737 VanDerWaalsContact O-CA 3.24Å; D2693-T2737 WeakPolarHBondContact O-CA 3.39Å; D2693-T2737 VanDerWaalsContact O-CB 3.3Å; D2693-T2737 WeakPolarHBondContact O-CB 3.32Å; D2693-T2737 PolarHBondContact O-N 3.04Å; D2693-T2737 VanDerWaalsContact O-N 3.1Å; D2693-T2737 PolarHBondContact O-OG1 3.16Å; A2696-T2737 HydrophobicContact CB-CG2 4.46Å; A2723-T2737 HydrophobicContact CB-CG2 3.65Å; A2723-T2737 PolarHBondContact O-OG1 3.05Å; C2735-T2737 HydrophobicContact CB-CG2 4.44Å; T2737-F2758 HydrophobicContact CG2-CE1 4.08Å; T2737-F2758 HydrophobicContact CG2-CZ 4.42Å; T2737-F2758 WeakPolarHBondContact O-CE1 3.23Å; T2737-C2763 WeakPolarHBondContact O-CA 3.18Å; T2737-C2763 VanDerWaalsContact O-CB 3.28Å; T2737-C2763 WeakPolarHBondContact O-CB 3.29Å; T2737-T2764 PolarHBondContact O-N 3Å | ||
| 2738 | R | 96.4 | Very high | 90.6 | Very high | 36.6 Ų | 36.6 | 31.5 Ų | 31.5 | 14% | 0.138 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 132.8 | 162.4 | -55.8 | -58.3 | -176.4 | -104.3 | 17.1 | 110.6 | E2694 A2695 A2696 H2736 I2741 N2762 T2764 H2767 E2799 | E2694-R2738 PolarHBondContact O-N 3Å; A2695-R2738 CarbonylContact C-O 3.52Å; A2695-R2738 VanDerWaalsContact CA-O 3.31Å; A2695-R2738 WeakPolarHBondContact CA-O 3.33Å; A2696-R2738 PolarHBondContact N-O 3.07Å; H2736-R2738 PolarHBondContact O-NH1 3.12Å; R2738-I2741 HydrophobicContact CB-CD1 4Å; R2738-I2741 HydrophobicContact CB-CG1 3.57Å; R2738-I2741 VanDerWaalsContact CB-CG1 3.49Å; R2738-I2741 HydrophobicContact CG-CD1 4.14Å; R2738-I2741 HydrophobicContact CG-CG1 4.08Å; R2738-N2762 PolarHBondContact NH1-O 3.2Å; R2738-N2762 PolarHBondContact NH2-O 3.11Å; R2738-T2764 VanDerWaalsContact CA-O 3.28Å; R2738-T2764 WeakPolarHBondContact CA-O 3.23Å; R2738-T2764 VanDerWaalsContact CD-O 3.27Å; R2738-T2764 WeakPolarHBondContact CD-O 3.23Å; R2738-T2764 VanDerWaalsContact NE-CG2 3.32Å; R2738-H2767 HydrophobicContact CB-CB 4.3Å; R2738-H2767 HydrophobicContact CG-CB 3.86Å; R2738-E2799 IonicContact CZ-OE2 3.85Å; R2738-E2799 IonicContact NE-OE2 3.29Å; R2738-E2799 PolarHBondContact NE-OE2 3.02Å; R2738-E2799 IonicContact NH2-OE2 3.73Å; R2738-E2799 PolarHBondContact NH2-OE2 3.02Å |
| 2739 | A | 97.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | -53.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | A2696 I2697 I2721 M2755 F2758 A2765 | A2696-A2739 WeakPolarHBondContact CB-O 3.39Å; I2697-A2739 PolarHBondContact N-O 3Å; I2721-A2739 HydrophobicContact CB-CB 4.45Å; I2721-A2739 HydrophobicContact CD1-CB 4.13Å; I2721-A2739 WeakPolarHBondContact CD1-O 3.27Å; I2721-A2739 HydrophobicContact CG2-CB 3.92Å; A2739-M2755 HydrophobicContact CB-CE 4.16Å; A2739-M2755 HydrophobicContact CB-CG 4.11Å; A2739-M2755 HydrophobicContact CB-SD 3.88Å; A2739-M2755 WeakPolarHBondContact CB-SD 3.26Å; A2739-F2758 HydrophobicContact CB-CE1 3.88Å; A2739-F2758 HydrophobicContact CB-CE2 3.74Å; A2739-F2758 HydrophobicContact CB-CZ 3.32Å; A2739-F2758 VanDerWaalsContact N-CE1 3.27Å; A2739-A2765 CarbonylContact C-O 3.53Å; A2739-A2765 VanDerWaalsContact CA-O 3.26Å; A2739-A2765 WeakPolarHBondContact CA-O 3.38Å; A2739-A2765 HydrophobicContact CB-CB 4.04Å; A2739-A2765 WeakPolarHBondContact CB-O 3.36Å; A2739-A2765 PolarHBondContact N-O 3Å |
| 2740 | V | 97.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 116.3 | 178.9 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | I2697 Y2716 I2721 L2742 V2750 M2753 M2755 A2765 H2767 | I2697-V2740 WeakPolarHBondContact O-CA 3.24Å; Y2716-V2740 HydrophobicContact CD2-CG1 3.96Å; Y2716-V2740 HydrophobicContact CE2-CG1 4.03Å; I2721-V2740 HydrophobicContact CD1-CG2 4.34Å; V2740-L2742 HydrophobicContact CG1-CD2 3.94Å; V2740-L2742 HydrophobicContact CG1-CG 4.47Å; V2740-V2750 HydrophobicContact CG1-CG2 4.44Å; V2740-M2753 HydrophobicContact CG2-CE 4.28Å; V2740-M2753 HydrophobicContact CG2-SD 3.57Å; V2740-M2753 VanDerWaalsContact CG2-SD 3.57Å; V2740-M2755 HydrophobicContact CG2-CE 3.87Å; V2740-A2765 PolarHBondContact N-O 2.94Å; V2740-H2767 PolarHBondContact O-N 3.03Å; V2740-H2767 VanDerWaalsContact O-N 3.11Å |
| 2741 | I | 97.3 | Very high | 92.3 | Very high | 7.6 Ų | 7.6 | 23.5 Ų | 23.5 | 4% | 0.039 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 115.6 | 166.1 | -59.4 | -174.7 | 0 | 0 | 0 | 108.4 | A2695 I2697 E2698 G2699 R2738 H2767 T2769 | A2695-I2741 HydrophobicContact CB-CD1 3.67Å; A2695-I2741 HydrophobicContact CB-CG1 4.07Å; I2697-I2741 PolarHBondContact O-N 2.92Å; E2698-I2741 HydrophobicContact CB-CB 3.96Å; E2698-I2741 HydrophobicContact CB-CD1 4.46Å; E2698-I2741 HydrophobicContact CG-CB 3.78Å; E2698-I2741 HydrophobicContact CG-CD1 4.4Å; E2698-I2741 HydrophobicContact CG-CG2 3.83Å; E2698-I2741 WeakPolarHBondContact OE1-CG2 3.25Å; G2699-I2741 PolarHBondContact N-O 3Å; R2738-I2741 HydrophobicContact CB-CD1 4Å; R2738-I2741 HydrophobicContact CB-CG1 3.57Å; R2738-I2741 VanDerWaalsContact CB-CG1 3.49Å; R2738-I2741 HydrophobicContact CG-CD1 4.14Å; R2738-I2741 HydrophobicContact CG-CG1 4.08Å; I2741-H2767 CarbonylContact C-O 3.56Å; I2741-H2767 VanDerWaalsContact CA-O 3.29Å; I2741-H2767 WeakPolarHBondContact CA-O 3.28Å; I2741-H2767 HydrophobicContact CG1-CB 4.49Å; I2741-T2769 VanDerWaalsContact CG2-CA 3.41Å |
| 2742 | L | 97.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 132 | -171.5 | -64.5 | 167.4 | 0 | 0 | 0 | 111.8 | G2699 V2740 L2748 I2766 H2767 T2769 Y2784 F2786 F2806 L2808 | G2699-L2742 CarbonylContact O-C 3.57Å; V2740-L2742 HydrophobicContact CG1-CD2 3.94Å; V2740-L2742 HydrophobicContact CG1-CG 4.47Å; L2742-L2748 HydrophobicContact CD2-CD2 3.92Å; L2742-I2766 HydrophobicContact CD1-CG2 3.53Å; L2742-I2766 HydrophobicContact CG-CG2 4.13Å; L2742-H2767 PolarHBondContact N-O 3.27Å; L2742-T2769 VanDerWaalsContact O-CB 3.28Å; L2742-T2769 WeakPolarHBondContact O-CB 3.26Å; L2742-T2769 WeakPolarHBondContact O-CG2 3.33Å; L2742-T2769 PolarHBondContact O-N 3.03Å; L2742-T2769 VanDerWaalsContact O-N 3.09Å; L2742-Y2784 HydrophobicContact CB-CD1 4.43Å; L2742-Y2784 HydrophobicContact CB-CD2 4.32Å; L2742-Y2784 HydrophobicContact CB-CE1 4.13Å; L2742-Y2784 HydrophobicContact CB-CE2 3.88Å; L2742-Y2784 HydrophobicContact CD1-CD2 3.64Å; L2742-Y2784 HydrophobicContact CD1-CE2 3.83Å; L2742-Y2784 HydrophobicContact CD1-CG 4.22Å; L2742-Y2784 HydrophobicContact CD2-CD1 4.05Å; L2742-Y2784 HydrophobicContact CD2-CD2 4.13Å; L2742-Y2784 HydrophobicContact CD2-CE1 4.36Å; L2742-Y2784 HydrophobicContact CD2-CE2 4.39Å; L2742-Y2784 HydrophobicContact CD2-CG 3.86Å; L2742-Y2784 HydrophobicContact CG-CD2 4.25Å; L2742-Y2784 HydrophobicContact CG-CE2 4.29Å; L2742-Y2784 HydrophobicContact CG-CG 4.43Å; L2742-F2786 HydrophobicContact CD2-CE2 4.37Å; L2742-F2786 HydrophobicContact CD2-CZ 4.08Å; L2742-F2806 HydrophobicContact CD1-CB 4.39Å; L2742-F2806 HydrophobicContact CD1-CD1 4.47Å; L2742-F2806 HydrophobicContact CD1-CD2 4Å; L2742-F2806 HydrophobicContact CD1-CE2 4.38Å; L2742-F2806 HydrophobicContact CD1-CG 4.05Å; L2742-L2808 HydrophobicContact CD1-CD2 3.66Å |
| 2743 | P | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -74.3 | 146 | -178.6 | 28.8 | -33.6 | 0 | 0 | 0 | 112.5 | G2699 K2700 L2702 A2745 L2748 Y2784 | G2699-P2743 WeakPolarHBondContact O-CA 3.31Å; K2700-P2743 CarbonylContact O-C 3.54Å; K2700-P2743 WeakPolarHBondContact O-CA 3.27Å; L2702-P2743 HydrophobicContact CD1-CB 4.43Å; L2702-P2743 HydrophobicContact CD1-CG 3.68Å; L2702-P2743 HydrophobicContact CD2-CB 4.35Å; L2702-P2743 HydrophobicContact CD2-CG 4.04Å; L2702-P2743 HydrophobicContact CG-CB 3.91Å; L2702-P2743 HydrophobicContact CG-CG 3.57Å; P2743-A2745 VanDerWaalsContact C-N 3.27Å; P2743-A2745 PolarHBondContact O-N 3.02Å; P2743-L2748 HydrophobicContact CG-CB 4.46Å; P2743-L2748 HydrophobicContact CG-CD2 4.15Å; P2743-Y2784 HydrophobicContact CG-CE1 4.27Å; P2743-Y2784 VanDerWaalsContact O-CE1 3.29Å; P2743-Y2784 WeakPolarHBondContact O-CE1 3.45Å; P2743-Y2784 VanDerWaalsContact O-CZ 3.31Å; P2743-Y2784 PolarHBondContact O-OH 3.14Å | ||
| 2744 | W | 90.8 | Very high | 94.5 | Very high | 8.8 Ų | 8.8 | 16.8 Ų | 16.8 | 3% | 0.033 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -72.7 | 81.2 | 173.6 | -71.7 | -29.3 | 0 | 0 | 0 | 113.4 | K2700 R2701 L2702 T2769 I2771 Q2774 C2775 C2779 Y2782 L2909 | K2700-W2744 WeakPolarHBondContact O-CB 3.49Å; K2700-W2744 PolarHBondContact O-N 2.81Å; R2701-W2744 HydrophobicContact CG-CB 4.41Å; R2701-W2744 HydrophobicContact CG-CE3 4.37Å; L2702-W2744 PolarHBondContact N-O 3.25Å; W2744-T2769 HydrophobicContact CB-CG2 4.27Å; W2744-T2769 VanDerWaalsContact CD1-CG2 3.45Å; W2744-T2769 HydrophobicContact CD2-CG2 3.48Å; W2744-T2769 VanDerWaalsContact CD2-CG2 3.47Å; W2744-T2769 HydrophobicContact CE3-CG2 4.08Å; W2744-T2769 HydrophobicContact CG-CG2 3.52Å; W2744-T2769 VanDerWaalsContact CG-CG2 3.48Å; W2744-T2769 WeakPolarHBondContact CH2-O 3.29Å; W2744-T2769 HydrophobicContact CZ2-CG2 4.33Å; W2744-T2769 WeakPolarHBondContact CZ2-O 3.37Å; W2744-T2769 HydrophobicContact CZ3-CG2 4.29Å; W2744-T2769 PolarHBondContact NE1-O 3.03Å; W2744-I2771 HydrophobicContact CD2-CD1 4.42Å; W2744-I2771 HydrophobicContact CE3-CB 4.36Å; W2744-I2771 HydrophobicContact CE3-CD1 3.5Å; W2744-I2771 VanDerWaalsContact CE3-CD1 3.45Å; W2744-I2771 HydrophobicContact CE3-CG1 3.74Å; W2744-I2771 HydrophobicContact CH2-CB 3.6Å; W2744-I2771 HydrophobicContact CH2-CD1 4.22Å; W2744-I2771 HydrophobicContact CH2-CG1 3.69Å; W2744-I2771 HydrophobicContact CZ2-CG1 4.48Å; W2744-I2771 HydrophobicContact CZ3-CB 3.57Å; W2744-I2771 VanDerWaalsContact CZ3-CB 3.47Å; W2744-I2771 HydrophobicContact CZ3-CD1 3.58Å; W2744-I2771 HydrophobicContact CZ3-CG1 3.42Å; W2744-Q2774 HydrophobicContact CZ3-CB 4.25Å; W2744-Q2774 HydrophobicContact CZ3-CG 4.26Å; W2744-C2775 HydrophobicContact CE3-CB 4.38Å; W2744-C2775 VanDerWaalsContact CH2-C 3.49Å; W2744-C2775 HydrophobicContact CH2-CB 3.58Å; W2744-C2775 WeakPolarHBondContact CH2-O 3.3Å; W2744-C2775 HydrophobicContact CZ2-CB 4.13Å; W2744-C2775 WeakPolarHBondContact CZ2-O 3.4Å; W2744-C2775 HydrophobicContact CZ3-CB 3.96Å; W2744-C2775 VanDerWaalsContact CZ3-CB 3.47Å; W2744-C2775 WeakPolarHBondContact CZ3-O 3.4Å; W2744-C2779 HydrophobicContact CD2-CB 4.14Å; W2744-C2779 HydrophobicContact CE3-CB 4.41Å; W2744-C2779 HydrophobicContact CH2-CB 4.06Å; W2744-C2779 HydrophobicContact CZ2-CB 3.94Å; W2744-C2779 HydrophobicContact CZ3-CB 4.45Å; W2744-Y2782 VanDerWaalsContact C-CD2 3.5Å; W2744-Y2782 VanDerWaalsContact C-CE2 3.5Å; W2744-Y2782 HydrophobicContact CB-CE2 4.24Å; W2744-Y2782 WeakPolarHBondContact O-CE2 3.36Å; W2744-L2909 HydrophobicContact CB-CD1 3.61Å; W2744-L2909 HydrophobicContact CB-CD2 4.35Å; W2744-L2909 HydrophobicContact CD2-CD1 3.6Å; W2744-L2909 VanDerWaalsContact CD2-CD1 3.48Å; W2744-L2909 HydrophobicContact CD2-CD2 3.69Å; W2744-L2909 VanDerWaalsContact CD2-CD2 3.48Å; W2744-L2909 HydrophobicContact CD2-CG 4.12Å; W2744-L2909 HydrophobicContact CE3-CD1 3.79Å; W2744-L2909 HydrophobicContact CE3-CD2 3.44Å; W2744-L2909 HydrophobicContact CE3-CG 3.99Å; W2744-L2909 HydrophobicContact CG-CD1 3.55Å; W2744-L2909 VanDerWaalsContact CG-CD1 3.45Å; W2744-L2909 HydrophobicContact CG-CD2 4.26Å; W2744-L2909 HydrophobicContact CG-CG 4.41Å; W2744-L2909 HydrophobicContact CH2-CD2 4.28Å; W2744-L2909 HydrophobicContact CZ2-CD2 4.3Å; W2744-L2909 HydrophobicContact CZ3-CD1 4.43Å; W2744-L2909 HydrophobicContact CZ3-CD2 3.41Å; W2744-L2909 VanDerWaalsContact CZ3-CD2 3.47Å; W2744-L2909 HydrophobicContact CZ3-CG 4.19Å |
| 2745 | A | 90.1 | Very high | 95.1 | Very high | 11.2 Ų | 11.2 | 13.2 Ų | 13.2 | 9% | 0.093 | 7% | 0.067 | C | C | . | . | S | Bend | trans | 177.6 | 157.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108 | L2702 P2743 Y2782 Y2784 | L2702-A2745 HydrophobicContact CB-CB 3.73Å; L2702-A2745 HydrophobicContact CG-CB 4.43Å; L2702-A2745 VanDerWaalsContact O-CB 3.23Å; L2702-A2745 WeakPolarHBondContact O-CB 3.24Å; P2743-A2745 VanDerWaalsContact C-N 3.27Å; P2743-A2745 PolarHBondContact O-N 3.02Å; A2745-Y2782 VanDerWaalsContact N-CD2 3.3Å; A2745-Y2784 VanDerWaalsContact O-CE1 3.3Å; A2745-Y2784 WeakPolarHBondContact O-CE1 3.38Å |
| 2746 | P | 90.6 | Very high | 95.4 | Very high | 16 Ų | 16 | 14.8 Ų | 14.8 | 10% | 0.104 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -67.9 | 169.3 | 171.8 | 34.3 | -38.2 | 0 | 0 | 0 | 110.7 | L2702 L2707 Y2708 Y2782 F3015 | L2702-P2746 WeakPolarHBondContact CD1-O 3.46Å; L2707-P2746 HydrophobicContact CD1-CG 4.03Å; L2707-P2746 HydrophobicContact CD2-CG 4.42Å; L2707-P2746 WeakPolarHBondContact CD2-O 3.28Å; Y2708-P2746 HydrophobicContact CE2-CB 4.35Å; Y2708-P2746 VanDerWaalsContact OH-CB 3.24Å; Y2708-P2746 WeakPolarHBondContact OH-CB 3.42Å; P2746-Y2782 HydrophobicContact CB-CD1 4.31Å; P2746-Y2782 VanDerWaalsContact CD-CD1 3.45Å; P2746-Y2782 HydrophobicContact CG-CD1 4.31Å; P2746-F3015 HydrophobicContact CB-CD2 3.66Å; P2746-F3015 HydrophobicContact CB-CE2 3.59Å; P2746-F3015 HydrophobicContact CB-CG 4.24Å; P2746-F3015 HydrophobicContact CB-CZ 4.12Å; P2746-F3015 HydrophobicContact CG-CD1 4.01Å; P2746-F3015 HydrophobicContact CG-CD2 3.78Å; P2746-F3015 HydrophobicContact CG-CE1 3.8Å; P2746-F3015 HydrophobicContact CG-CE2 3.57Å; P2746-F3015 VanDerWaalsContact CG-CE2 3.47Å; P2746-F3015 HydrophobicContact CG-CG 3.99Å; P2746-F3015 HydrophobicContact CG-CZ 3.57Å |
| 2747 | G | 91.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.057 | C | C | . | . | trans | 110.9 | -8.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | Y2708 | Y2708-G2747 VanDerWaalsContact CD1-CA 3.44Å; Y2708-G2747 VanDerWaalsContact CE1-N 3.29Å; Y2708-G2747 VanDerWaalsContact CZ-N 3.29Å; Y2708-G2747 PolarHBondContact N-O 3Å; Y2708-G2747 VanDerWaalsContact N-O 3.08Å; Y2708-G2747 PolarHBondContact OH-N 2.64Å | ||
| 2748 | L | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.056 | C | C | . | . | trans | -79.6 | 133.9 | 175.5 | 173.9 | 70.1 | 0 | 0 | 0 | 111.1 | L2702 P2714 Y2716 L2742 P2743 V2750 Y2784 L2785 | L2702-L2748 HydrophobicContact CD1-CB 3.77Å; P2714-L2748 HydrophobicContact CB-CB 4.49Å; P2714-L2748 HydrophobicContact CB-CD1 4.28Å; Y2716-L2748 HydrophobicContact CD1-CD1 3.91Å; Y2716-L2748 HydrophobicContact CD2-CD1 3.85Å; Y2716-L2748 HydrophobicContact CD2-CD2 3.86Å; Y2716-L2748 HydrophobicContact CD2-CG 4.4Å; Y2716-L2748 HydrophobicContact CE1-CD1 3.83Å; Y2716-L2748 HydrophobicContact CE2-CD1 3.81Å; Y2716-L2748 HydrophobicContact CE2-CD2 3.5Å; Y2716-L2748 VanDerWaalsContact CE2-CD2 3.46Å; Y2716-L2748 HydrophobicContact CE2-CG 4.3Å; Y2716-L2748 HydrophobicContact CG-CD1 3.89Å; L2742-L2748 HydrophobicContact CD2-CD2 3.92Å; P2743-L2748 HydrophobicContact CG-CB 4.46Å; P2743-L2748 HydrophobicContact CG-CD2 4.15Å; L2748-V2750 HydrophobicContact CD1-CG2 4.45Å; L2748-V2750 HydrophobicContact CD2-CG2 4Å; L2748-V2750 HydrophobicContact CG-CG2 4.08Å; L2748-Y2784 HydrophobicContact CB-CD1 3.92Å; L2748-Y2784 HydrophobicContact CB-CE1 4.45Å; L2748-Y2784 HydrophobicContact CD2-CD1 4.35Å; L2748-Y2784 HydrophobicContact CG-CD1 4.48Å; L2748-L2785 PolarHBondContact O-N 2.92Å; L2748-L2785 VanDerWaalsContact O-N 3.12Å | ||
| 2749 | T | 97.3 | Very high | 95.7 | Very high | 15.4 Ų | 15.4 | 11.4 Ų | 11.4 | 9% | 0.094 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136 | 165.5 | -59.4 | 0 | 0 | 0 | 0 | 109.5 | P2714 L2715 Y2716 E2751 L2785 | P2714-T2749 PolarHBondContact O-N 2.9Å; L2715-T2749 WeakPolarHBondContact CA-O 3.42Å; L2715-T2749 HydrophobicContact CD1-CG2 3.82Å; Y2716-T2749 PolarHBondContact N-O 3.16Å; T2749-E2751 HydrophobicContact CG2-CB 4.46Å; T2749-L2785 CarbonylContact C-O 3.55Å; T2749-L2785 WeakPolarHBondContact CA-O 3.26Å; T2749-L2785 HydrophobicContact CG2-CB 4.14Å |
| 2750 | V | 98.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 114.2 | 174.4 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | Y2716 V2740 L2748 M2753 L2785 F2786 K2787 I2789 | Y2716-V2750 HydrophobicContact CD2-CG2 4.19Å; Y2716-V2750 CarbonylContact O-C 3.5Å; Y2716-V2750 WeakPolarHBondContact O-CA 3.37Å; V2740-V2750 HydrophobicContact CG1-CG2 4.44Å; L2748-V2750 HydrophobicContact CD1-CG2 4.45Å; L2748-V2750 HydrophobicContact CD2-CG2 4Å; L2748-V2750 HydrophobicContact CG-CG2 4.08Å; V2750-M2753 HydrophobicContact CG1-CB 4.38Å; V2750-M2753 HydrophobicContact CG1-CE 3.7Å; V2750-M2753 HydrophobicContact CG1-CG 3.51Å; V2750-M2753 VanDerWaalsContact CG1-CG 3.48Å; V2750-M2753 HydrophobicContact CG1-SD 4.11Å; V2750-L2785 PolarHBondContact N-O 3.2Å; V2750-F2786 HydrophobicContact CB-CD1 3.87Å; V2750-F2786 HydrophobicContact CB-CE1 3.79Å; V2750-F2786 HydrophobicContact CB-CG 4.38Å; V2750-F2786 HydrophobicContact CB-CZ 4.2Å; V2750-F2786 HydrophobicContact CG1-CD1 4.04Å; V2750-F2786 HydrophobicContact CG1-CE1 3.85Å; V2750-F2786 HydrophobicContact CG1-CZ 4.47Å; V2750-F2786 HydrophobicContact CG2-CD1 4.47Å; V2750-F2786 HydrophobicContact CG2-CE1 4.05Å; V2750-F2786 HydrophobicContact CG2-CE2 4.44Å; V2750-F2786 HydrophobicContact CG2-CZ 4.01Å; V2750-F2786 VanDerWaalsContact O-CA 3.32Å; V2750-F2786 WeakPolarHBondContact O-CA 3.37Å; V2750-K2787 PolarHBondContact O-N 3.02Å; V2750-K2787 VanDerWaalsContact O-N 3.07Å; V2750-I2789 HydrophobicContact CG1-CD1 4.18Å |
| 2751 | E | 97.4 | Very high | 94.7 | Very high | 22.6 Ų | 22.6 | 21.2 Ų | 21.2 | 11% | 0.106 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 144.3 | -172.5 | 144.9 | 178.3 | -164.8 | 0 | 0 | 113.5 | L2715 Y2716 R2717 N2718 T2749 M2753 K2787 | L2715-E2751 HydrophobicContact CD1-CB 4.41Å; L2715-E2751 HydrophobicContact CD1-CG 4.05Å; Y2716-E2751 PolarHBondContact O-N 2.92Å; R2717-E2751 VanDerWaalsContact CA-O 3.23Å; R2717-E2751 WeakPolarHBondContact CA-O 3.33Å; R2717-E2751 HydrophobicContact CB-CG 3.95Å; R2717-E2751 WeakPolarHBondContact CD-OE1 3.4Å; R2717-E2751 HydrophobicContact CG-CB 4.29Å; R2717-E2751 HydrophobicContact CG-CG 3.95Å; R2717-E2751 IonicContact CZ-OE1 3.58Å; R2717-E2751 IonicContact CZ-OE2 3.92Å; R2717-E2751 IonicContact NE-OE1 3.48Å; R2717-E2751 PolarHBondContact NE-OE1 2.84Å; R2717-E2751 VanDerWaalsContact NE-OE1 3.16Å; R2717-E2751 IonicContact NE-OE2 3.6Å; R2717-E2751 IonicContact NH1-OE1 2.84Å; R2717-E2751 PolarHBondContact NH1-OE1 3.43Å; R2717-E2751 IonicContact NH2-OE1 3.43Å; N2718-E2751 PolarHBondContact N-O 3.06Å; N2718-E2751 VanDerWaalsContact N-O 3.16Å; T2749-E2751 HydrophobicContact CG2-CB 4.46Å; E2751-M2753 VanDerWaalsContact C-N 3.32Å; E2751-M2753 PolarHBondContact O-N 3.13Å; E2751-K2787 CarbonylContact C-O 3.55Å; E2751-K2787 VanDerWaalsContact CA-O 3.23Å; E2751-K2787 WeakPolarHBondContact CA-O 3.26Å; E2751-K2787 HydrophobicContact CB-CB 4.25Å; E2751-K2787 HydrophobicContact CG-CB 4.25Å; E2751-K2787 HydrophobicContact CG-CD 4.34Å; E2751-K2787 HydrophobicContact CG-CG 4.49Å; E2751-K2787 IonicContact OE1-NZ 3.64Å; E2751-K2787 PolarHBondContact OE1-NZ 3.09Å |
| 2752 | N | 97.4 | Very high | 94.3 | Very high | 57.2 Ų | 57.2 | 24.2 Ų | 24.2 | 31% | 0.306 | 13% | 0.125 | S | C | . | . | S | Bend | trans | 51.8 | 52.1 | 174.4 | -168.8 | 29.9 | 0 | 0 | 0 | 112.8 | N2718 S2719 K2787 D2788 | N2718-N2752 CarbonylContact C-O 3.36Å; N2718-N2752 WeakPolarHBondContact CA-O 3.42Å; N2718-N2752 PolarHBondContact N-O 2.93Å; N2718-N2752 VanDerWaalsContact N-O 3.14Å; N2718-N2752 PolarHBondContact OD1-ND2 3.1Å; S2719-N2752 PolarHBondContact N-O 2.76Å; N2752-K2787 PolarHBondContact N-O 3.11Å; N2752-D2788 VanDerWaalsContact CA-O 3.27Å; N2752-D2788 WeakPolarHBondContact CA-O 3.34Å; N2752-D2788 HydrophobicContact CB-CB 4.1Å; N2752-D2788 PolarHBondContact N-O 3.23Å |
| 2753 | M | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -106.6 | 134.2 | -178.8 | -74.5 | -79 | -72 | 0 | 0 | 110.3 | I2697 S2719 I2721 V2740 V2750 E2751 M2755 D2788 I2789 K2790 | I2697-M2753 HydrophobicContact CD1-CE 4.11Å; S2719-M2753 WeakPolarHBondContact O-CA 3.29Å; S2719-M2753 WeakPolarHBondContact O-CG 3.26Å; I2721-M2753 HydrophobicContact CD1-CE 3.51Å; I2721-M2753 HydrophobicContact CD1-CG 4.17Å; I2721-M2753 HydrophobicContact CD1-SD 3.47Å; I2721-M2753 WeakPolarHBondContact CD1-SD 3.49Å; I2721-M2753 HydrophobicContact CG1-CE 3.98Å; I2721-M2753 HydrophobicContact CG1-CG 4.39Å; I2721-M2753 HydrophobicContact CG1-SD 4.32Å; V2740-M2753 HydrophobicContact CG2-CE 4.28Å; V2740-M2753 HydrophobicContact CG2-SD 3.57Å; V2740-M2753 VanDerWaalsContact CG2-SD 3.57Å; V2750-M2753 HydrophobicContact CG1-CB 4.38Å; V2750-M2753 HydrophobicContact CG1-CE 3.7Å; V2750-M2753 HydrophobicContact CG1-CG 3.51Å; V2750-M2753 VanDerWaalsContact CG1-CG 3.48Å; V2750-M2753 HydrophobicContact CG1-SD 4.11Å; E2751-M2753 VanDerWaalsContact C-N 3.32Å; E2751-M2753 PolarHBondContact O-N 3.13Å; M2753-M2755 HydrophobicContact CB-CE 4.07Å; M2753-M2755 HydrophobicContact CB-SD 4.39Å; M2753-M2755 HydrophobicContact CE-CE 4.05Å; M2753-M2755 HydrophobicContact CG-CE 4.1Å; M2753-M2755 HydrophobicContact CG-CG 4.19Å; M2753-M2755 HydrophobicContact SD-CE 3.34Å; M2753-M2755 WeakPolarHBondContact SD-CE 3.25Å; M2753-M2755 HydrophobicContact SD-CG 4.43Å; M2753-D2788 PolarHBondContact N-O 3.29Å; M2753-I2789 HydrophobicContact CB-CD1 4.04Å; M2753-I2789 HydrophobicContact CG-CD1 4.25Å; M2753-K2790 PolarHBondContact O-N 2.99Å | ||
| 2754 | V | 97.8 | Very high | 94.1 | Very high | 7.6 Ų | 7.6 | 24.4 Ų | 24.4 | 5% | 0.046 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 119.4 | 168.6 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | N2390 S2719 T2720 I2721 K2790 E2792 | N2390-V2754 HydrophobicContact CB-CG2 4.37Å; N2390-V2754 WeakPolarHBondContact ND2-CG2 3.27Å; S2719-V2754 PolarHBondContact O-N 3.23Å; T2720-V2754 HydrophobicContact CG2-CB 4.26Å; T2720-V2754 HydrophobicContact CG2-CG1 4.41Å; I2721-V2754 PolarHBondContact N-O 3.13Å; V2754-K2790 WeakPolarHBondContact CA-O 3.37Å; V2754-K2790 HydrophobicContact CG2-CB 4.18Å; V2754-K2790 HydrophobicContact CG2-CD 4.2Å; V2754-E2792 HydrophobicContact CG1-CG 4.33Å |
| 2755 | M | 97 | Very high | 94.4 | Very high | 0.2 Ų | 0.2 | 23.9 Ų | 23.9 | 0% | 0.001 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 107.5 | 178.5 | -61.4 | -163.2 | -178.3 | 0 | 0 | 109.7 | I2721 A2739 V2740 M2753 F2758 A2765 I2766 I2789 K2790 W2791 E2792 T2794 | I2721-M2755 HydrophobicContact CB-SD 4.05Å; I2721-M2755 HydrophobicContact CD1-CE 4.3Å; I2721-M2755 HydrophobicContact CD1-SD 4.01Å; I2721-M2755 HydrophobicContact CG1-SD 4.31Å; A2739-M2755 HydrophobicContact CB-CE 4.16Å; A2739-M2755 HydrophobicContact CB-CG 4.11Å; A2739-M2755 HydrophobicContact CB-SD 3.88Å; A2739-M2755 WeakPolarHBondContact CB-SD 3.26Å; V2740-M2755 HydrophobicContact CG2-CE 3.87Å; M2753-M2755 HydrophobicContact CB-CE 4.07Å; M2753-M2755 HydrophobicContact CB-SD 4.39Å; M2753-M2755 HydrophobicContact CE-CE 4.05Å; M2753-M2755 HydrophobicContact CG-CE 4.1Å; M2753-M2755 HydrophobicContact CG-CG 4.19Å; M2753-M2755 HydrophobicContact SD-CE 3.34Å; M2753-M2755 WeakPolarHBondContact SD-CE 3.25Å; M2753-M2755 HydrophobicContact SD-CG 4.43Å; M2755-F2758 HydrophobicContact CB-CD2 4.27Å; M2755-F2758 HydrophobicContact CB-CE2 4.23Å; M2755-A2765 HydrophobicContact CB-CB 4.48Å; M2755-A2765 HydrophobicContact SD-CB 3.66Å; M2755-I2766 HydrophobicContact CE-CG1 4.42Å; M2755-I2789 HydrophobicContact CG-CG2 4.35Å; M2755-I2789 HydrophobicContact SD-CG2 4.49Å; M2755-K2790 PolarHBondContact N-O 2.95Å; M2755-W2791 HydrophobicContact CB-CE3 3.83Å; M2755-W2791 HydrophobicContact CB-CZ3 3.79Å; M2755-W2791 HydrophobicContact CG-CE3 4.18Å; M2755-W2791 HydrophobicContact CG-CH2 4.34Å; M2755-W2791 HydrophobicContact CG-CZ3 4.16Å; M2755-W2791 HydrophobicContact SD-CE3 4.34Å; M2755-W2791 HydrophobicContact SD-CH2 3.65Å; M2755-W2791 VanDerWaalsContact SD-CH2 3.59Å; M2755-W2791 HydrophobicContact SD-CZ3 3.47Å; M2755-W2791 VanDerWaalsContact SD-CZ3 3.51Å; M2755-W2791 WeakPolarHBondContact SD-CZ3 3.39Å; M2755-E2792 PolarHBondContact O-N 3.05Å; M2755-E2792 VanDerWaalsContact O-N 3.14Å; M2755-T2794 PolarHBondContact O-OG1 2.96Å; M2755-T2794 VanDerWaalsContact O-OG1 3.11Å |
| 2756 | K | 96.5 | Very high | 94.7 | Very high | 39.2 Ų | 39.2 | 23.4 Ų | 23.4 | 17% | 0.17 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 138.5 | -171.3 | -173.7 | -176.8 | -177.8 | 128.4 | 0 | 112.6 | Y2388 I2721 V2722 A2723 E2725 F2758 E2792 | Y2388-K2756 HydrophobicContact CD1-CD 4.29Å; Y2388-K2756 HydrophobicContact CE1-CD 4.21Å; I2721-K2756 PolarHBondContact O-N 2.93Å; V2722-K2756 WeakPolarHBondContact CA-O 3.3Å; V2722-K2756 HydrophobicContact CB-CB 4.47Å; V2722-K2756 HydrophobicContact CG1-CB 4.38Å; V2722-K2756 HydrophobicContact CG1-CD 4.14Å; V2722-K2756 HydrophobicContact CG1-CG 4.36Å; V2722-K2756 HydrophobicContact CG2-CB 4.18Å; V2722-K2756 HydrophobicContact CG2-CD 4.13Å; A2723-K2756 PolarHBondContact N-O 2.77Å; E2725-K2756 IonicContact OE1-NZ 2.73Å; E2725-K2756 IonicContact OE2-NZ 3.25Å; E2725-K2756 PolarHBondContact OE2-NZ 3.07Å; K2756-F2758 WeakPolarHBondContact O-CD2 3.26Å; K2756-F2758 WeakPolarHBondContact O-CE2 3.27Å; K2756-F2758 PolarHBondContact O-N 3.22Å; K2756-E2792 CarbonylContact C-O 3.42Å; K2756-E2792 VanDerWaalsContact CA-O 3.24Å; K2756-E2792 WeakPolarHBondContact CA-O 3.32Å; K2756-E2792 HydrophobicContact CB-CB 4.13Å; K2756-E2792 HydrophobicContact CG-CB 3.93Å; K2756-E2792 IonicContact NZ-OE2 3.4Å; K2756-E2792 PolarHBondContact NZ-OE2 2.76Å |
| 2757 | N | 95.9 | Very high | 95 | Very high | 10 Ų | 10 | 23.8 Ų | 23.8 | 5% | 0.053 | 12% | 0.12 | C | C | . | . | trans | 65.9 | 27.8 | 170.5 | -67.6 | -11.1 | 0 | 0 | 0 | 115.9 | A2723 Y2724 N2759 E2792 N2793 T2794 | A2723-N2757 HydrophobicContact CB-CB 4.45Å; A2723-N2757 WeakPolarHBondContact CB-O 3.24Å; Y2724-N2757 HydrophobicContact CD1-CB 3.92Å; Y2724-N2757 WeakPolarHBondContact CD1-O 3.41Å; Y2724-N2757 HydrophobicContact CE1-CB 3.65Å; Y2724-N2757 VanDerWaalsContact CE1-O 3.23Å; Y2724-N2757 WeakPolarHBondContact CE1-O 3.34Å; Y2724-N2757 HydrophobicContact CE2-CB 4.35Å; Y2724-N2757 HydrophobicContact CG-CB 4.44Å; Y2724-N2757 PolarHBondContact O-ND2 2.95Å; N2757-N2759 VanDerWaalsContact C-N 3.32Å; N2757-N2759 PolarHBondContact O-N 2.93Å; N2757-N2759 VanDerWaalsContact O-N 3.08Å; N2757-N2759 PolarHBondContact O-OD1 3.15Å; N2757-E2792 PolarHBondContact N-O 3.08Å; N2757-N2793 WeakPolarHBondContact CA-O 3.33Å; N2757-N2793 WeakPolarHBondContact OD1-CB 3.27Å; N2757-N2793 PolarHBondContact OD1-ND2 2.89Å; N2757-T2794 PolarHBondContact N-OG1 3.12Å | ||
| 2758 | F | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | trans | -85.5 | 75.4 | 170.4 | -64.2 | -92.2 | 0 | 0 | 0 | 110 | I2721 A2723 T2737 A2739 M2755 K2756 C2763 T2764 A2765 T2794 N2795 N2796 | I2721-F2758 HydrophobicContact CG2-CE2 4.15Å; I2721-F2758 HydrophobicContact CG2-CZ 3.83Å; A2723-F2758 HydrophobicContact CB-CD1 3.76Å; A2723-F2758 HydrophobicContact CB-CD2 4.14Å; A2723-F2758 HydrophobicContact CB-CE1 3.67Å; A2723-F2758 HydrophobicContact CB-CE2 4.05Å; A2723-F2758 HydrophobicContact CB-CG 3.99Å; A2723-F2758 HydrophobicContact CB-CZ 3.79Å; T2737-F2758 HydrophobicContact CG2-CE1 4.08Å; T2737-F2758 HydrophobicContact CG2-CZ 4.42Å; T2737-F2758 WeakPolarHBondContact O-CE1 3.23Å; A2739-F2758 HydrophobicContact CB-CE1 3.88Å; A2739-F2758 HydrophobicContact CB-CE2 3.74Å; A2739-F2758 HydrophobicContact CB-CZ 3.32Å; A2739-F2758 VanDerWaalsContact N-CE1 3.27Å; M2755-F2758 HydrophobicContact CB-CD2 4.27Å; M2755-F2758 HydrophobicContact CB-CE2 4.23Å; K2756-F2758 WeakPolarHBondContact O-CD2 3.26Å; K2756-F2758 WeakPolarHBondContact O-CE2 3.27Å; K2756-F2758 PolarHBondContact O-N 3.22Å; F2758-C2763 HydrophobicContact CD1-CB 4.38Å; F2758-T2764 VanDerWaalsContact CD1-C 3.43Å; F2758-T2764 VanDerWaalsContact CD1-O 3.3Å; F2758-T2764 WeakPolarHBondContact CD1-O 3.39Å; F2758-A2765 HydrophobicContact CB-CB 4.27Å; F2758-A2765 HydrophobicContact CD1-CB 4.21Å; F2758-A2765 HydrophobicContact CD2-CB 4.04Å; F2758-A2765 HydrophobicContact CE2-CB 4.47Å; F2758-A2765 HydrophobicContact CG-CB 3.9Å; F2758-T2794 HydrophobicContact CB-CG2 3.68Å; F2758-T2794 HydrophobicContact CD2-CG2 4.47Å; F2758-T2794 PolarHBondContact N-OG1 3.01Å; F2758-T2794 WeakPolarHBondContact O-CA 3.39Å; F2758-N2795 PolarHBondContact O-N 3.03Å; F2758-N2795 VanDerWaalsContact O-N 3.07Å; F2758-N2796 WeakPolarHBondContact O-CB 3.22Å; F2758-N2796 PolarHBondContact O-N 2.98Å | ||
| 2759 | N | 93.1 | Very high | 94.9 | Very high | 44.4 Ų | 44.4 | 23.9 Ų | 23.9 | 24% | 0.237 | 12% | 0.122 | C | C | . | . | trans | -136.8 | -8 | -172.8 | 65.1 | -2.3 | 0 | 0 | 0 | 115.1 | Y2724 N2757 N2793 N2795 | Y2724-N2759 VanDerWaalsContact CE1-OD1 3.27Å; Y2724-N2759 WeakPolarHBondContact CE1-OD1 3.3Å; Y2724-N2759 PolarHBondContact OH-ND2 3.05Å; Y2724-N2759 PolarHBondContact OH-OD1 3.01Å; N2757-N2759 VanDerWaalsContact C-N 3.32Å; N2757-N2759 PolarHBondContact O-N 2.93Å; N2757-N2759 VanDerWaalsContact O-N 3.08Å; N2757-N2759 PolarHBondContact O-OD1 3.15Å; N2759-N2793 VanDerWaalsContact ND2-CG 3.29Å; N2759-N2793 PolarHBondContact ND2-ND2 3.01Å; N2759-N2793 PolarHBondContact ND2-O 2.68Å; N2759-N2793 PolarHBondContact ND2-OD1 3.09Å; N2759-N2793 VanDerWaalsContact ND2-OD1 3.1Å; N2759-N2795 HydrophobicContact CB-CB 4.49Å | ||
| 2760 | S | 90.1 | Very high | 94.5 | Very high | 20.2 Ų | 20.2 | 25.4 Ų | 25.4 | 14% | 0.141 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -77.2 | 158.3 | 171.8 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | S2733 D2734 C2735 N2762 C2763 N2796 | S2733-S2760 VanDerWaalsContact O-CB 3.29Å; S2733-S2760 WeakPolarHBondContact O-CB 3.27Å; S2733-S2760 PolarHBondContact O-OG 3.27Å; D2734-S2760 PolarHBondContact OD1-OG 3.09Å; C2735-S2760 PolarHBondContact N-OG 3.18Å; C2735-S2760 PolarHBondContact O-OG 3.04Å; C2735-S2760 WeakPolarHBondContact SG-CB 3.47Å; S2760-N2762 PolarHBondContact O-N 3.12Å; S2760-N2762 VanDerWaalsContact O-N 3.12Å; S2760-N2762 PolarHBondContact OG-N 3.06Å; S2760-C2763 VanDerWaalsContact CB-SG 3.52Å; S2760-C2763 WeakPolarHBondContact CB-SG 3.33Å; S2760-C2763 PolarHBondContact N-SG 3.09Å; S2760-C2763 VanDerWaalsContact N-SG 3.39Å; S2760-C2763 WeakPolarHBondContact O-CA 3.2Å; S2760-C2763 PolarHBondContact O-N 2.79Å; S2760-C2763 PolarHBondContact O-SG 2.69Å; S2760-C2763 PolarHBondContact OG-SG 3.15Å; S2760-N2796 PolarHBondContact O-ND2 3.09Å |
| 2761 | Q | 85.7 | Confident | 93.9 | Very high | 183.8 Ų | 183.8 | 26.7 Ų | 26.7 | 86% | 0.859 | 14% | 0.137 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -30.8 | -176.4 | -174.2 | 173.7 | -3.1 | 0 | 0 | 113.8 | ||
| 2762 | N | 87.9 | Confident | 93 | Very high | 72.6 Ų | 72.6 | 29.2 Ų | 29.2 | 39% | 0.388 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -0.1 | -173.5 | -62.4 | -36.1 | 0 | 0 | 0 | 114.4 | D2734 C2735 H2736 R2738 S2760 | D2734-N2762 PolarHBondContact OD1-ND2 2.99Å; C2735-N2762 CarbonylContact O-C 3.41Å; C2735-N2762 VanDerWaalsContact O-CB 3.24Å; C2735-N2762 WeakPolarHBondContact O-CB 3.36Å; H2736-N2762 VanDerWaalsContact CD2-CB 3.49Å; H2736-N2762 WeakPolarHBondContact CD2-CB 3.33Å; H2736-N2762 PolarHBondContact CE1-ND2 2.99Å; H2736-N2762 VanDerWaalsContact ND1-CB 3.29Å; H2736-N2762 WeakPolarHBondContact ND1-CB 3.25Å; H2736-N2762 PolarHBondContact NE2-ND2 3.12Å; R2738-N2762 PolarHBondContact NH1-O 3.2Å; R2738-N2762 PolarHBondContact NH2-O 3.11Å; S2760-N2762 PolarHBondContact O-N 3.12Å; S2760-N2762 VanDerWaalsContact O-N 3.12Å; S2760-N2762 PolarHBondContact OG-N 3.06Å |
| 2763 | C | 92.2 | Very high | 91.9 | Very high | 0.8 Ų | 0.8 | 31.4 Ų | 31.4 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | trans | -112.8 | 138.3 | 179.8 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | A2723 C2735 T2737 F2758 S2760 N2796 | A2723-C2763 VanDerWaalsContact CB-SG 3.57Å; C2735-C2763 HydrophobicContact CB-CB 3.71Å; C2735-C2763 WeakPolarHBondContact CB-SG 3.32Å; C2735-C2763 VanDerWaalsContact O-CB 3.28Å; C2735-C2763 WeakPolarHBondContact O-CB 3.25Å; C2735-C2763 PolarHBondContact O-N 2.97Å; C2735-C2763 PolarHBondContact O-SG 2.81Å; C2735-C2763 VanDerWaalsContact O-SG 3.41Å; C2735-C2763 WeakPolarHBondContact SG-CB 3.23Å; C2735-C2763 CovalentContact SG-SG 2.04Å; C2735-C2763 PolarHBondContact SG-SG 2.77Å; T2737-C2763 WeakPolarHBondContact O-CA 3.18Å; T2737-C2763 VanDerWaalsContact O-CB 3.28Å; T2737-C2763 WeakPolarHBondContact O-CB 3.29Å; F2758-C2763 HydrophobicContact CD1-CB 4.38Å; S2760-C2763 VanDerWaalsContact CB-SG 3.52Å; S2760-C2763 WeakPolarHBondContact CB-SG 3.33Å; S2760-C2763 PolarHBondContact N-SG 3.09Å; S2760-C2763 VanDerWaalsContact N-SG 3.39Å; S2760-C2763 WeakPolarHBondContact O-CA 3.2Å; S2760-C2763 PolarHBondContact O-N 2.79Å; S2760-C2763 PolarHBondContact O-SG 2.69Å; S2760-C2763 PolarHBondContact OG-SG 3.15Å; C2763-N2796 VanDerWaalsContact O-CB 3.25Å; C2763-N2796 WeakPolarHBondContact O-CB 3.24Å; C2763-N2796 PolarHBondContact O-ND2 2.95Å | ||
| 2764 | T | 95.8 | Very high | 91 | Very high | 1.6 Ų | 1.6 | 35.1 Ų | 35.1 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 147 | 174.5 | -122.8 | 0 | 0 | 0 | 0 | 110 | T2737 R2738 F2758 I2766 H2767 N2796 A2798 E2799 Q2858 | T2737-T2764 PolarHBondContact O-N 3Å; R2738-T2764 VanDerWaalsContact CA-O 3.28Å; R2738-T2764 WeakPolarHBondContact CA-O 3.23Å; R2738-T2764 VanDerWaalsContact CD-O 3.27Å; R2738-T2764 WeakPolarHBondContact CD-O 3.23Å; R2738-T2764 VanDerWaalsContact NE-CG2 3.32Å; F2758-T2764 VanDerWaalsContact CD1-C 3.43Å; F2758-T2764 VanDerWaalsContact CD1-O 3.3Å; F2758-T2764 WeakPolarHBondContact CD1-O 3.39Å; T2764-I2766 WeakPolarHBondContact CG2-O 3.34Å; T2764-H2767 HydrophobicContact CG2-CB 4.29Å; T2764-N2796 CarbonylContact C-O 3.16Å; T2764-N2796 WeakPolarHBondContact CA-O 3.35Å; T2764-N2796 HydrophobicContact CG2-CB 4.29Å; T2764-N2796 PolarHBondContact OG1-O 2.87Å; T2764-A2798 VanDerWaalsContact CG2-C 3.5Å; T2764-E2799 HydrophobicContact CG2-CB 3.68Å; T2764-E2799 VanDerWaalsContact CG2-CB 3.47Å; T2764-E2799 WeakPolarHBondContact CG2-OE2 3.36Å; T2764-Q2858 HydrophobicContact CG2-CB 4.2Å; T2764-Q2858 HydrophobicContact CG2-CG 4.11Å; T2764-Q2858 WeakPolarHBondContact OG1-CB 3.48Å; T2764-Q2858 WeakPolarHBondContact OG1-CG 3.45Å |
| 2765 | A | 97.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | -47.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A2739 V2740 M2755 F2758 W2791 T2794 N2796 R2797 | A2739-A2765 CarbonylContact C-O 3.53Å; A2739-A2765 VanDerWaalsContact CA-O 3.26Å; A2739-A2765 WeakPolarHBondContact CA-O 3.38Å; A2739-A2765 HydrophobicContact CB-CB 4.04Å; A2739-A2765 WeakPolarHBondContact CB-O 3.36Å; A2739-A2765 PolarHBondContact N-O 3Å; V2740-A2765 PolarHBondContact N-O 2.94Å; M2755-A2765 HydrophobicContact CB-CB 4.48Å; M2755-A2765 HydrophobicContact SD-CB 3.66Å; F2758-A2765 HydrophobicContact CB-CB 4.27Å; F2758-A2765 HydrophobicContact CD1-CB 4.21Å; F2758-A2765 HydrophobicContact CD2-CB 4.04Å; F2758-A2765 HydrophobicContact CE2-CB 4.47Å; F2758-A2765 HydrophobicContact CG-CB 3.9Å; A2765-W2791 HydrophobicContact CB-CH2 4.19Å; A2765-W2791 HydrophobicContact CB-CZ3 3.64Å; A2765-T2794 HydrophobicContact CB-CG2 4.44Å; A2765-N2796 PolarHBondContact N-O 2.92Å; A2765-R2797 WeakPolarHBondContact CB-O 3.34Å |
| 2766 | I | 97.6 | Very high | 89.4 | Confident | 0.2 Ų | 0.2 | 42.1 Ų | 42.1 | 0% | 0.001 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 131.1 | -175.9 | -59.2 | 164.9 | 0 | 0 | 0 | 110.2 | L2742 M2755 T2764 F2786 W2791 R2797 A2798 E2799 F2806 L2808 L2815 | L2742-I2766 HydrophobicContact CD1-CG2 3.53Å; L2742-I2766 HydrophobicContact CG-CG2 4.13Å; M2755-I2766 HydrophobicContact CE-CG1 4.42Å; T2764-I2766 WeakPolarHBondContact CG2-O 3.34Å; I2766-F2786 HydrophobicContact CD1-CD1 4.21Å; I2766-F2786 HydrophobicContact CD1-CE1 3.48Å; I2766-F2786 VanDerWaalsContact CD1-CE1 3.47Å; I2766-F2786 HydrophobicContact CD1-CZ 3.75Å; I2766-F2786 HydrophobicContact CG1-CE1 4.09Å; I2766-F2786 HydrophobicContact CG1-CZ 4.22Å; I2766-F2786 HydrophobicContact CG2-CZ 4.31Å; I2766-W2791 HydrophobicContact CD1-CH2 4.21Å; I2766-R2797 VanDerWaalsContact CB-O 3.32Å; I2766-R2797 WeakPolarHBondContact CB-O 3.35Å; I2766-R2797 WeakPolarHBondContact CG1-O 3.21Å; I2766-R2797 PolarHBondContact N-O 3.13Å; I2766-A2798 HydrophobicContact CB-CB 3.92Å; I2766-A2798 HydrophobicContact CG2-CB 4.42Å; I2766-A2798 VanDerWaalsContact O-CA 3.3Å; I2766-A2798 WeakPolarHBondContact O-CA 3.34Å; I2766-E2799 PolarHBondContact O-N 3.17Å; I2766-F2806 HydrophobicContact CG2-CE2 4.22Å; I2766-F2806 HydrophobicContact CG2-CZ 4.4Å; I2766-L2808 HydrophobicContact CD1-CD1 4.14Å; I2766-L2808 HydrophobicContact CG2-CD1 4.3Å; I2766-L2808 HydrophobicContact CG2-CD2 4.09Å; I2766-L2815 HydrophobicContact CD1-CD1 3.71Å |
| 2767 | H | 95.6 | Very high | 88.8 | Confident | 24 Ų | 24 | 47.5 Ų | 47.5 | 11% | 0.111 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 154.4 | 179.9 | -177.1 | -101.2 | 0 | 0 | 0 | 110.9 | R2738 V2740 I2741 L2742 T2764 E2799 R2801 | R2738-H2767 HydrophobicContact CB-CB 4.3Å; R2738-H2767 HydrophobicContact CG-CB 3.86Å; V2740-H2767 PolarHBondContact O-N 3.03Å; V2740-H2767 VanDerWaalsContact O-N 3.11Å; I2741-H2767 CarbonylContact C-O 3.56Å; I2741-H2767 VanDerWaalsContact CA-O 3.29Å; I2741-H2767 WeakPolarHBondContact CA-O 3.28Å; I2741-H2767 HydrophobicContact CG1-CB 4.49Å; L2742-H2767 PolarHBondContact N-O 3.27Å; T2764-H2767 HydrophobicContact CG2-CB 4.29Å; H2767-E2799 VanDerWaalsContact CD2-CD 3.49Å; H2767-E2799 IonicContact CD2-OE1 3.17Å; H2767-E2799 IonicContact CD2-OE2 3.03Å; H2767-E2799 PolarHBondContact CD2-OE2 2.96Å; H2767-E2799 VanDerWaalsContact CD2-OE2 3.28Å; H2767-E2799 IonicContact NE2-OE1 2.98Å; H2767-E2799 IonicContact NE2-OE2 3.47Å; H2767-R2801 WeakPolarHBondContact NE2-CD 3.39Å |
| 2768 | G | 93.5 | Very high | 88.3 | Confident | 2.8 Ų | 2.8 | 48.3 Ų | 48.3 | 3% | 0.029 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 144.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R2801 | G2768-R2801 VanDerWaalsContact C-NH2 3.32Å; G2768-R2801 VanDerWaalsContact O-CZ 3.27Å; G2768-R2801 PolarHBondContact O-NH1 3.16Å; G2768-R2801 VanDerWaalsContact O-NH1 3.14Å; G2768-R2801 PolarHBondContact O-NH2 2.98Å |
| 2769 | T | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -64.2 | 160.2 | -180 | -165 | 0 | 0 | 0 | 0 | 113.6 | E2698 G2699 K2700 I2741 L2742 W2744 I2771 R2801 | E2698-T2769 PolarHBondContact OE1-OG1 3.04Å; E2698-T2769 VanDerWaalsContact OE1-OG1 3.12Å; G2699-T2769 WeakPolarHBondContact O-CB 3.37Å; G2699-T2769 PolarHBondContact O-OG1 3.07Å; K2700-T2769 VanDerWaalsContact CD-OG1 3.28Å; K2700-T2769 WeakPolarHBondContact CD-OG1 3.34Å; K2700-T2769 WeakPolarHBondContact O-CG2 3.31Å; I2741-T2769 VanDerWaalsContact CG2-CA 3.41Å; L2742-T2769 VanDerWaalsContact O-CB 3.28Å; L2742-T2769 WeakPolarHBondContact O-CB 3.26Å; L2742-T2769 WeakPolarHBondContact O-CG2 3.33Å; L2742-T2769 PolarHBondContact O-N 3.03Å; L2742-T2769 VanDerWaalsContact O-N 3.09Å; W2744-T2769 HydrophobicContact CB-CG2 4.27Å; W2744-T2769 VanDerWaalsContact CD1-CG2 3.45Å; W2744-T2769 HydrophobicContact CD2-CG2 3.48Å; W2744-T2769 VanDerWaalsContact CD2-CG2 3.47Å; W2744-T2769 HydrophobicContact CE3-CG2 4.08Å; W2744-T2769 HydrophobicContact CG-CG2 3.52Å; W2744-T2769 VanDerWaalsContact CG-CG2 3.48Å; W2744-T2769 WeakPolarHBondContact CH2-O 3.29Å; W2744-T2769 HydrophobicContact CZ2-CG2 4.33Å; W2744-T2769 WeakPolarHBondContact CZ2-O 3.37Å; W2744-T2769 HydrophobicContact CZ3-CG2 4.29Å; W2744-T2769 PolarHBondContact NE1-O 3.03Å; T2769-I2771 HydrophobicContact CG2-CG1 4.39Å; T2769-R2801 PolarHBondContact O-NH1 2.93Å; T2769-R2801 VanDerWaalsContact O-NH1 3.1Å; T2769-R2801 PolarHBondContact O-NH2 3.08Å; T2769-R2801 VanDerWaalsContact O-NH2 3.11Å | ||
| 2770 | V | 89.2 | Confident | 87.6 | Confident | 47.2 Ų | 47.2 | 46.5 Ų | 46.5 | 29% | 0.286 | 24% | 0.235 | S | C | . | . | trans | -127.2 | 131.4 | 167.9 | 176.6 | 0 | 0 | 0 | 0 | 107.5 | K2700 R2776 | K2700-V2770 PolarHBondContact NZ-O 3.03Å; K2700-V2770 VanDerWaalsContact NZ-O 3.17Å; V2770-R2776 HydrophobicContact CG1-CB 4.29Å; V2770-R2776 HydrophobicContact CG1-CG 4.1Å | ||
| 2771 | I | 85.8 | Confident | 87.7 | Confident | 26.4 Ų | 26.4 | 45.7 Ų | 45.7 | 14% | 0.135 | 23% | 0.23 | C | C | . | . | B | Isolated β-bridge | trans | -118.9 | 103.6 | 170.9 | -52.8 | -179.9 | 0 | 0 | 0 | 108 | K2700 R2701 W2744 T2769 C2773 Q2774 C2775 | K2700-I2771 HydrophobicContact CB-CD1 3.94Å; K2700-I2771 HydrophobicContact CB-CG1 4.3Å; K2700-I2771 HydrophobicContact CD-CG1 4.22Å; R2701-I2771 HydrophobicContact CG-CD1 3.74Å; W2744-I2771 HydrophobicContact CD2-CD1 4.42Å; W2744-I2771 HydrophobicContact CE3-CB 4.36Å; W2744-I2771 HydrophobicContact CE3-CD1 3.5Å; W2744-I2771 VanDerWaalsContact CE3-CD1 3.45Å; W2744-I2771 HydrophobicContact CE3-CG1 3.74Å; W2744-I2771 HydrophobicContact CH2-CB 3.6Å; W2744-I2771 HydrophobicContact CH2-CD1 4.22Å; W2744-I2771 HydrophobicContact CH2-CG1 3.69Å; W2744-I2771 HydrophobicContact CZ2-CG1 4.48Å; W2744-I2771 HydrophobicContact CZ3-CB 3.57Å; W2744-I2771 VanDerWaalsContact CZ3-CB 3.47Å; W2744-I2771 HydrophobicContact CZ3-CD1 3.58Å; W2744-I2771 HydrophobicContact CZ3-CG1 3.42Å; T2769-I2771 HydrophobicContact CG2-CG1 4.39Å; I2771-C2773 PolarHBondContact O-N 3.04Å; I2771-Q2774 HydrophobicContact CB-CB 4.05Å; I2771-Q2774 HydrophobicContact CB-CG 4.42Å; I2771-Q2774 HydrophobicContact CG2-CB 3.8Å; I2771-Q2774 HydrophobicContact CG2-CG 3.79Å; I2771-Q2774 PolarHBondContact O-N 3.22Å; I2771-Q2774 VanDerWaalsContact O-N 3.14Å; I2771-C2775 CarbonylContact C-O 3.51Å; I2771-C2775 PolarHBondContact N-O 3Å; I2771-C2775 CarbonylContact O-C 3.55Å; I2771-C2775 PolarHBondContact O-N 3.06Å |
| 2772 | T | 77.8 | Confident | 88.1 | Confident | 75.6 Ų | 75.6 | 37.9 Ų | 37.9 | 46% | 0.464 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 126.1 | 176.8 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | Q2774 R2776 | T2772-Q2774 VanDerWaalsContact C-N 3.31Å; T2772-Q2774 PolarHBondContact O-N 3.31Å; T2772-R2776 PolarHBondContact O-NE 3.37Å; T2772-R2776 PolarHBondContact O-NH2 3.34Å |
| 2773 | C | 74.9 | Confident | 88.4 | Confident | 103.8 Ų | 103.8 | 34.8 Ų | 34.8 | 70% | 0.701 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 0.9 | -177.3 | -50.9 | 0 | 0 | 0 | 0 | 116.1 | I2771 | I2771-C2773 PolarHBondContact O-N 3.04Š|
| 2774 | Q | 77.6 | Confident | 88.6 | Confident | 76.8 Ų | 76.8 | 34.9 Ų | 34.9 | 36% | 0.359 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | -51.7 | 172.9 | -102.7 | 178.7 | 10.4 | 0 | 0 | 112.2 | W2744 I2771 T2772 L2909 | W2744-Q2774 HydrophobicContact CZ3-CB 4.25Å; W2744-Q2774 HydrophobicContact CZ3-CG 4.26Å; I2771-Q2774 HydrophobicContact CB-CB 4.05Å; I2771-Q2774 HydrophobicContact CB-CG 4.42Å; I2771-Q2774 HydrophobicContact CG2-CB 3.8Å; I2771-Q2774 HydrophobicContact CG2-CG 3.79Å; I2771-Q2774 PolarHBondContact O-N 3.22Å; I2771-Q2774 VanDerWaalsContact O-N 3.14Å; T2772-Q2774 VanDerWaalsContact C-N 3.31Å; T2772-Q2774 PolarHBondContact O-N 3.31Å; Q2774-L2909 HydrophobicContact CB-CD2 4.24Å; Q2774-L2909 HydrophobicContact CG-CD2 4.25Å; Q2774-L2909 VanDerWaalsContact OE1-CD2 3.26Å |
| 2775 | C | 79.9 | Confident | 88.7 | Confident | 1.4 Ų | 1.4 | 36.5 Ų | 36.5 | 1% | 0.009 | 19% | 0.185 | C | C | . | . | B | Isolated β-bridge | trans | -160.8 | 132.4 | 170.1 | -172.2 | 0 | 0 | 0 | 0 | 111.7 | W2744 I2771 K2777 C2779 L2909 | W2744-C2775 HydrophobicContact CE3-CB 4.38Å; W2744-C2775 VanDerWaalsContact CH2-C 3.49Å; W2744-C2775 HydrophobicContact CH2-CB 3.58Å; W2744-C2775 WeakPolarHBondContact CH2-O 3.3Å; W2744-C2775 HydrophobicContact CZ2-CB 4.13Å; W2744-C2775 WeakPolarHBondContact CZ2-O 3.4Å; W2744-C2775 HydrophobicContact CZ3-CB 3.96Å; W2744-C2775 VanDerWaalsContact CZ3-CB 3.47Å; W2744-C2775 WeakPolarHBondContact CZ3-O 3.4Å; I2771-C2775 CarbonylContact C-O 3.51Å; I2771-C2775 PolarHBondContact N-O 3Å; I2771-C2775 CarbonylContact O-C 3.55Å; I2771-C2775 PolarHBondContact O-N 3.06Å; C2775-K2777 PolarHBondContact SG-O 2.93Å; C2775-C2779 HydrophobicContact CB-CB 3.83Å; C2775-C2779 WeakPolarHBondContact CB-SG 3.34Å; C2775-C2779 WeakPolarHBondContact SG-CB 3.4Å; C2775-C2779 CovalentContact SG-SG 2Å; C2775-C2779 PolarHBondContact SG-SG 3.13Å; C2775-L2909 HydrophobicContact CB-CD2 4.48Å; C2775-L2909 HydrophobicContact CB-CG 4.28Å |
| 2776 | R | 81 | Confident | 88.7 | Confident | 153 Ų | 153 | 36.5 Ų | 36.5 | 58% | 0.577 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -114.3 | -19.4 | 178.7 | -57.4 | -172.9 | -160.4 | -174.7 | 4.2 | 114.4 | V2770 T2772 | V2770-R2776 HydrophobicContact CG1-CB 4.29Å; V2770-R2776 HydrophobicContact CG1-CG 4.1Å; T2772-R2776 PolarHBondContact O-NE 3.37Å; T2772-R2776 PolarHBondContact O-NH2 3.34Å |
| 2777 | K | 83.4 | Confident | 88.7 | Confident | 152.2 Ų | 152.2 | 40 Ų | 40 | 66% | 0.662 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -146.5 | 147.7 | -174.4 | -142.4 | -171.5 | 177.4 | 178.6 | 0 | 110 | C2775 C2779 W2802 | C2775-K2777 PolarHBondContact SG-O 2.93Å; K2777-C2779 VanDerWaalsContact C-N 3.28Å; K2777-C2779 PolarHBondContact O-N 3.07Å; K2777-W2802 HydrophobicContact CB-CZ3 4.39Å; K2777-W2802 HydrophobicContact CG-CE3 4.13Å; K2777-W2802 HydrophobicContact CG-CZ3 3.91Å |
| 2778 | L | 86.6 | Confident | 88.8 | Confident | 27.8 Ų | 27.8 | 42.1 Ų | 42.1 | 15% | 0.146 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 60.6 | 31.6 | 173.9 | -48.6 | 176.8 | 0 | 0 | 0 | 114.5 | W2802 P2903 K2905 M2916 | L2778-W2802 VanDerWaalsContact CA-CE2 3.46Å; L2778-W2802 HydrophobicContact CB-CD2 4.14Å; L2778-W2802 HydrophobicContact CB-CE3 4.37Å; L2778-W2802 HydrophobicContact CB-CZ2 4.38Å; L2778-W2802 HydrophobicContact CD2-CB 4.06Å; L2778-W2802 VanDerWaalsContact CD2-CB 3.43Å; L2778-W2802 HydrophobicContact CD2-CD2 3.89Å; L2778-W2802 HydrophobicContact CD2-CE3 3.84Å; L2778-W2802 HydrophobicContact CD2-CG 3.89Å; L2778-W2802 HydrophobicContact CD2-CZ3 4.33Å; L2778-W2802 HydrophobicContact CG-CD2 4.49Å; L2778-W2802 VanDerWaalsContact N-CZ2 3.29Å; L2778-W2802 WeakPolarHBondContact O-CZ2 3.31Å; L2778-P2903 HydrophobicContact CD1-CB 4.1Å; L2778-P2903 HydrophobicContact CD1-CG 3.52Å; L2778-P2903 HydrophobicContact CD2-CG 3.82Å; L2778-P2903 HydrophobicContact CG-CG 4.37Å; L2778-K2905 HydrophobicContact CB-CB 4.23Å; L2778-K2905 HydrophobicContact CB-CD 4.39Å; L2778-K2905 HydrophobicContact CD1-CB 4.13Å; L2778-M2916 WeakPolarHBondContact O-CE 3.42Å |
| 2779 | C | 85.7 | Confident | 89 | Confident | 4.8 Ų | 4.8 | 42.3 Ų | 42.3 | 3% | 0.032 | 21% | 0.212 | C | C | . | . | trans | -117.2 | 157.6 | 174.4 | -76.4 | 0 | 0 | 0 | 0 | 111.4 | W2744 C2775 K2777 W2802 A2908 L2909 M2916 | W2744-C2779 HydrophobicContact CD2-CB 4.14Å; W2744-C2779 HydrophobicContact CE3-CB 4.41Å; W2744-C2779 HydrophobicContact CH2-CB 4.06Å; W2744-C2779 HydrophobicContact CZ2-CB 3.94Å; W2744-C2779 HydrophobicContact CZ3-CB 4.45Å; C2775-C2779 HydrophobicContact CB-CB 3.83Å; C2775-C2779 WeakPolarHBondContact CB-SG 3.34Å; C2775-C2779 WeakPolarHBondContact SG-CB 3.4Å; C2775-C2779 CovalentContact SG-SG 2Å; C2775-C2779 PolarHBondContact SG-SG 3.13Å; K2777-C2779 VanDerWaalsContact C-N 3.28Å; K2777-C2779 PolarHBondContact O-N 3.07Å; C2779-W2802 WeakPolarHBondContact O-CZ2 3.47Å; C2779-W2802 PolarHBondContact O-NE1 3.07Å; C2779-W2802 VanDerWaalsContact O-NE1 3.09Å; C2779-A2908 VanDerWaalsContact SG-CA 3.51Å; C2779-L2909 HydrophobicContact CB-CD1 4.07Å; C2779-L2909 HydrophobicContact CB-CG 4.13Å; C2779-M2916 VanDerWaalsContact C-CE 3.42Å | ||
| 2780 | G | 89.2 | Confident | 89.2 | Confident | 1.2 Ų | 1.2 | 47.4 Ų | 47.4 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | trans | 117.6 | -134.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D2805 R2874 M2916 | G2780-D2805 CarbonylContact C-O 3.52Å; G2780-D2805 VanDerWaalsContact CA-O 3.25Å; G2780-D2805 WeakPolarHBondContact CA-O 3.37Å; G2780-R2874 WeakPolarHBondContact O-CD 3.27Å; G2780-R2874 PolarHBondContact O-NE 3.2Å; G2780-M2916 VanDerWaalsContact C-CE 3.43Å; G2780-M2916 WeakPolarHBondContact O-CE 3.4Å | ||
| 2781 | G | 91.1 | Very high | 89.6 | Confident | 4.6 Ų | 4.6 | 47.1 Ų | 47.1 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | trans | 85.6 | 11.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | G2804 D2805 R2874 | G2781-G2804 VanDerWaalsContact CA-O 3.27Å; G2781-G2804 WeakPolarHBondContact CA-O 3.3Å; G2781-G2804 PolarHBondContact N-O 2.96Å; G2781-D2805 PolarHBondContact N-O 2.9Å; G2781-R2874 WeakPolarHBondContact O-CB 3.4Å | ||
| 2782 | Y | 93.6 | Very high | 90 | Very high | 19.8 Ų | 19.8 | 48.3 Ų | 48.3 | 8% | 0.078 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 152.9 | 179.1 | -59.5 | -65.9 | 0 | 0 | 0 | 112 | W2744 A2745 P2746 Y2784 S2807 L2909 | W2744-Y2782 VanDerWaalsContact C-CD2 3.5Å; W2744-Y2782 VanDerWaalsContact C-CE2 3.5Å; W2744-Y2782 HydrophobicContact CB-CE2 4.24Å; W2744-Y2782 WeakPolarHBondContact O-CE2 3.36Å; A2745-Y2782 VanDerWaalsContact N-CD2 3.3Å; P2746-Y2782 HydrophobicContact CB-CD1 4.31Å; P2746-Y2782 VanDerWaalsContact CD-CD1 3.45Å; P2746-Y2782 HydrophobicContact CG-CD1 4.31Å; Y2782-Y2784 WeakPolarHBondContact O-CD2 3.33Å; Y2782-Y2784 WeakPolarHBondContact O-CE2 3.35Å; Y2782-S2807 PolarHBondContact O-N 3.09Å; Y2782-L2909 HydrophobicContact CE2-CD1 3.91Å |
| 2783 | E | 95 | Very high | 90.8 | Very high | 6.8 Ų | 6.8 | 49 Ų | 49 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 140.6 | 177.5 | -174.2 | 174.1 | 78.6 | 0 | 0 | 111.8 | Y2708 S2807 R2809 L2829 N2946 R2948 | Y2708-E2783 PolarHBondContact OH-O 3.03Å; E2783-S2807 CarbonylContact C-O 3.45Å; E2783-S2807 VanDerWaalsContact CA-O 3.31Å; E2783-S2807 WeakPolarHBondContact CA-O 3.26Å; E2783-R2809 HydrophobicContact CG-CB 4.23Å; E2783-R2809 IonicContact OE2-CZ 3.46Å; E2783-R2809 VanDerWaalsContact OE2-CZ 3.25Å; E2783-R2809 IonicContact OE2-NE 3.35Å; E2783-R2809 PolarHBondContact OE2-NE 3.02Å; E2783-R2809 IonicContact OE2-NH2 2.85Å; E2783-R2809 PolarHBondContact OE2-NH2 3.11Å; E2783-L2829 HydrophobicContact CG-CD1 4.49Å; E2783-N2946 VanDerWaalsContact CD-ND2 3.31Å; E2783-N2946 PolarHBondContact OE1-ND2 3.01Å; E2783-N2946 PolarHBondContact OE1-OD1 3.41Å; E2783-R2948 VanDerWaalsContact CD-NH2 3.25Å; E2783-R2948 IonicContact OE1-CZ 3.01Å; E2783-R2948 IonicContact OE1-NE 2.82Å; E2783-R2948 IonicContact OE1-NH1 3.66Å; E2783-R2948 IonicContact OE1-NH2 3.44Å; E2783-R2948 PolarHBondContact OE1-NH2 2.92Å; E2783-R2948 IonicContact OE2-CZ 3.4Å; E2783-R2948 IonicContact OE2-NH1 3.99Å; E2783-R2948 PolarHBondContact OE2-NH1 2.94Å; E2783-R2948 IonicContact OE2-NH2 3.14Å; E2783-R2948 PolarHBondContact OE2-NH2 3.06Å; E2783-R2948 VanDerWaalsContact OE2-NH2 3.07Å |
| 2784 | Y | 97 | Very high | 91.7 | Very high | 2.8 Ų | 2.8 | 44.5 Ų | 44.5 | 1% | 0.011 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 142.3 | 177.3 | -50.1 | -80.5 | 0 | 0 | 0 | 109.9 | L2742 P2743 A2745 L2748 Y2782 F2806 S2807 L2808 R2809 | L2742-Y2784 HydrophobicContact CB-CD1 4.43Å; L2742-Y2784 HydrophobicContact CB-CD2 4.32Å; L2742-Y2784 HydrophobicContact CB-CE1 4.13Å; L2742-Y2784 HydrophobicContact CB-CE2 3.88Å; L2742-Y2784 HydrophobicContact CD1-CD2 3.64Å; L2742-Y2784 HydrophobicContact CD1-CE2 3.83Å; L2742-Y2784 HydrophobicContact CD1-CG 4.22Å; L2742-Y2784 HydrophobicContact CD2-CD1 4.05Å; L2742-Y2784 HydrophobicContact CD2-CD2 4.13Å; L2742-Y2784 HydrophobicContact CD2-CE1 4.36Å; L2742-Y2784 HydrophobicContact CD2-CE2 4.39Å; L2742-Y2784 HydrophobicContact CD2-CG 3.86Å; L2742-Y2784 HydrophobicContact CG-CD2 4.25Å; L2742-Y2784 HydrophobicContact CG-CE2 4.29Å; L2742-Y2784 HydrophobicContact CG-CG 4.43Å; P2743-Y2784 HydrophobicContact CG-CE1 4.27Å; P2743-Y2784 VanDerWaalsContact O-CE1 3.29Å; P2743-Y2784 WeakPolarHBondContact O-CE1 3.45Å; P2743-Y2784 VanDerWaalsContact O-CZ 3.31Å; P2743-Y2784 PolarHBondContact O-OH 3.14Å; A2745-Y2784 VanDerWaalsContact O-CE1 3.3Å; A2745-Y2784 WeakPolarHBondContact O-CE1 3.38Å; L2748-Y2784 HydrophobicContact CB-CD1 3.92Å; L2748-Y2784 HydrophobicContact CB-CE1 4.45Å; L2748-Y2784 HydrophobicContact CD2-CD1 4.35Å; L2748-Y2784 HydrophobicContact CG-CD1 4.48Å; Y2782-Y2784 WeakPolarHBondContact O-CD2 3.33Å; Y2782-Y2784 WeakPolarHBondContact O-CE2 3.35Å; Y2784-F2806 HydrophobicContact CD2-CB 4.17Å; Y2784-F2806 HydrophobicContact CE2-CB 3.64Å; Y2784-S2807 PolarHBondContact N-O 3.02Å; Y2784-L2808 HydrophobicContact CD2-CD2 4.41Å; Y2784-R2809 PolarHBondContact O-N 2.95Å |
| 2785 | L | 97.4 | Very high | 92.4 | Very high | 35.2 Ų | 35.2 | 45.7 Ų | 45.7 | 18% | 0.184 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 129.9 | -178.1 | -52.7 | -174.7 | 0 | 0 | 0 | 110.3 | Y2708 L2748 T2749 V2750 R2809 V2811 | Y2708-L2785 HydrophobicContact CD1-CD1 3.65Å; Y2708-L2785 HydrophobicContact CD1-CD2 4.44Å; Y2708-L2785 HydrophobicContact CD1-CG 3.66Å; Y2708-L2785 HydrophobicContact CE1-CD1 4.36Å; Y2708-L2785 HydrophobicContact CE1-CD2 4.38Å; Y2708-L2785 HydrophobicContact CE1-CG 3.91Å; Y2708-L2785 HydrophobicContact CG-CD1 4.11Å; Y2708-L2785 HydrophobicContact CG-CG 4.42Å; L2748-L2785 PolarHBondContact O-N 2.92Å; L2748-L2785 VanDerWaalsContact O-N 3.12Å; T2749-L2785 CarbonylContact C-O 3.55Å; T2749-L2785 WeakPolarHBondContact CA-O 3.26Å; T2749-L2785 HydrophobicContact CG2-CB 4.14Å; V2750-L2785 PolarHBondContact N-O 3.2Å; L2785-R2809 HydrophobicContact CD2-CB 3.61Å; L2785-R2809 HydrophobicContact CD2-CG 3.81Å; L2785-V2811 HydrophobicContact CB-CG2 4.04Å; L2785-V2811 HydrophobicContact CD2-CG2 4.48Å |
| 2786 | F | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 133.6 | 176.6 | -77.2 | -101.6 | 0 | 0 | 0 | 110.3 | L2742 V2750 I2766 I2789 L2808 R2809 V2811 L2815 | L2742-F2786 HydrophobicContact CD2-CE2 4.37Å; L2742-F2786 HydrophobicContact CD2-CZ 4.08Å; V2750-F2786 HydrophobicContact CB-CD1 3.87Å; V2750-F2786 HydrophobicContact CB-CE1 3.79Å; V2750-F2786 HydrophobicContact CB-CG 4.38Å; V2750-F2786 HydrophobicContact CB-CZ 4.2Å; V2750-F2786 HydrophobicContact CG1-CD1 4.04Å; V2750-F2786 HydrophobicContact CG1-CE1 3.85Å; V2750-F2786 HydrophobicContact CG1-CZ 4.47Å; V2750-F2786 HydrophobicContact CG2-CD1 4.47Å; V2750-F2786 HydrophobicContact CG2-CE1 4.05Å; V2750-F2786 HydrophobicContact CG2-CE2 4.44Å; V2750-F2786 HydrophobicContact CG2-CZ 4.01Å; V2750-F2786 VanDerWaalsContact O-CA 3.32Å; V2750-F2786 WeakPolarHBondContact O-CA 3.37Å; I2766-F2786 HydrophobicContact CD1-CD1 4.21Å; I2766-F2786 HydrophobicContact CD1-CE1 3.48Å; I2766-F2786 VanDerWaalsContact CD1-CE1 3.47Å; I2766-F2786 HydrophobicContact CD1-CZ 3.75Å; I2766-F2786 HydrophobicContact CG1-CE1 4.09Å; I2766-F2786 HydrophobicContact CG1-CZ 4.22Å; I2766-F2786 HydrophobicContact CG2-CZ 4.31Å; F2786-I2789 HydrophobicContact CB-CD1 4.48Å; F2786-I2789 HydrophobicContact CB-CG1 4.18Å; F2786-I2789 HydrophobicContact CD1-CD1 3.89Å; F2786-I2789 HydrophobicContact CD1-CG1 4.03Å; F2786-L2808 HydrophobicContact CD2-CB 4.19Å; F2786-L2808 HydrophobicContact CD2-CD2 4.17Å; F2786-L2808 HydrophobicContact CE2-CB 4.3Å; F2786-L2808 HydrophobicContact CE2-CD2 3.43Å; F2786-L2808 VanDerWaalsContact CE2-CD2 3.43Å; F2786-L2808 HydrophobicContact CE2-CG 4.37Å; F2786-L2808 HydrophobicContact CZ-CD2 3.99Å; F2786-R2809 PolarHBondContact N-O 3.01Å; F2786-V2811 WeakPolarHBondContact O-CB 3.41Å; F2786-V2811 WeakPolarHBondContact O-CG2 3.38Å; F2786-V2811 PolarHBondContact O-N 3.01Å; F2786-L2815 HydrophobicContact CB-CB 4.29Å; F2786-L2815 HydrophobicContact CB-CD1 3.95Å; F2786-L2815 HydrophobicContact CB-CD2 4.34Å; F2786-L2815 HydrophobicContact CB-CG 4.43Å; F2786-L2815 HydrophobicContact CD1-CD1 3.61Å; F2786-L2815 VanDerWaalsContact CD1-CD1 3.47Å; F2786-L2815 HydrophobicContact CD2-CD1 4.39Å; F2786-L2815 HydrophobicContact CE1-CD1 4.21Å; F2786-L2815 HydrophobicContact CG-CD1 3.77Å; F2786-L2815 HydrophobicContact CG-CD2 4.46Å |
| 2787 | K | 97.8 | Very high | 93.9 | Very high | 74.2 Ų | 74.2 | 39.9 Ų | 39.9 | 32% | 0.323 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 148.5 | -177.8 | -170.4 | -172.6 | 166 | -150.7 | 0 | 111 | V2750 E2751 N2752 I2789 V2811 D2812 | V2750-K2787 PolarHBondContact O-N 3.02Å; V2750-K2787 VanDerWaalsContact O-N 3.07Å; E2751-K2787 CarbonylContact C-O 3.55Å; E2751-K2787 VanDerWaalsContact CA-O 3.23Å; E2751-K2787 WeakPolarHBondContact CA-O 3.26Å; E2751-K2787 HydrophobicContact CB-CB 4.25Å; E2751-K2787 HydrophobicContact CG-CB 4.25Å; E2751-K2787 HydrophobicContact CG-CD 4.34Å; E2751-K2787 HydrophobicContact CG-CG 4.49Å; E2751-K2787 IonicContact OE1-NZ 3.64Å; E2751-K2787 PolarHBondContact OE1-NZ 3.09Å; N2752-K2787 PolarHBondContact N-O 3.11Å; K2787-I2789 VanDerWaalsContact O-CD1 3.32Å; K2787-I2789 WeakPolarHBondContact O-CD1 3.23Å; K2787-I2789 PolarHBondContact O-N 3.14Å; K2787-I2789 VanDerWaalsContact O-N 3.15Å; K2787-V2811 HydrophobicContact CB-CB 4.26Å; K2787-V2811 HydrophobicContact CD-CG1 4.47Å; K2787-V2811 HydrophobicContact CG-CB 4.45Å; K2787-D2812 HydrophobicContact CG-CB 4.21Å; K2787-D2812 WeakPolarHBondContact CG-OD2 3.36Å |
| 2788 | D | 97.5 | Very high | 94.5 | Very high | 68.4 Ų | 68.4 | 32.6 Ų | 32.6 | 37% | 0.366 | 16% | 0.16 | S | C | . | . | S | Bend | trans | 52.7 | 35.2 | 176.4 | -64.6 | -54.7 | 0 | 0 | 0 | 113.7 | N2752 M2753 D2812 S2814 | N2752-D2788 VanDerWaalsContact CA-O 3.27Å; N2752-D2788 WeakPolarHBondContact CA-O 3.34Å; N2752-D2788 HydrophobicContact CB-CB 4.1Å; N2752-D2788 PolarHBondContact N-O 3.23Å; M2753-D2788 PolarHBondContact N-O 3.29Å; D2788-D2812 WeakPolarHBondContact CA-OD2 3.34Å; D2788-D2812 PolarHBondContact N-OD1 2.99Å; D2788-D2812 PolarHBondContact N-OD2 3.03Å; D2788-S2814 PolarHBondContact N-OG 2.84Å |
| 2789 | I | 97.6 | Very high | 94.9 | Very high | 7.2 Ų | 7.2 | 33 Ų | 33 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | trans | -79.3 | 131.2 | -179.3 | -49.6 | -58.3 | 0 | 0 | 0 | 110.9 | V2750 M2753 M2755 F2786 K2787 W2791 S2814 L2815 | V2750-I2789 HydrophobicContact CG1-CD1 4.18Å; M2753-I2789 HydrophobicContact CB-CD1 4.04Å; M2753-I2789 HydrophobicContact CG-CD1 4.25Å; M2755-I2789 HydrophobicContact CG-CG2 4.35Å; M2755-I2789 HydrophobicContact SD-CG2 4.49Å; F2786-I2789 HydrophobicContact CB-CD1 4.48Å; F2786-I2789 HydrophobicContact CB-CG1 4.18Å; F2786-I2789 HydrophobicContact CD1-CD1 3.89Å; F2786-I2789 HydrophobicContact CD1-CG1 4.03Å; K2787-I2789 VanDerWaalsContact O-CD1 3.32Å; K2787-I2789 WeakPolarHBondContact O-CD1 3.23Å; K2787-I2789 PolarHBondContact O-N 3.14Å; K2787-I2789 VanDerWaalsContact O-N 3.15Å; I2789-W2791 HydrophobicContact CG2-CD2 4.23Å; I2789-W2791 HydrophobicContact CG2-CH2 4.23Å; I2789-W2791 HydrophobicContact CG2-CZ2 3.65Å; I2789-S2814 VanDerWaalsContact N-CB 3.29Å; I2789-S2814 PolarHBondContact N-OG 3.13Å; I2789-S2814 WeakPolarHBondContact O-CB 3.43Å; I2789-L2815 HydrophobicContact CG1-CD1 4.48Å | ||
| 2790 | K | 97.2 | Very high | 95.4 | Very high | 106 Ų | 106 | 32.7 Ų | 32.7 | 46% | 0.461 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.2 | 178 | -80.9 | 177.4 | -175.7 | 174.7 | 0 | 110.6 | M2753 V2754 M2755 E2792 | M2753-K2790 PolarHBondContact O-N 2.99Å; V2754-K2790 WeakPolarHBondContact CA-O 3.37Å; V2754-K2790 HydrophobicContact CG2-CB 4.18Å; V2754-K2790 HydrophobicContact CG2-CD 4.2Å; M2755-K2790 PolarHBondContact N-O 2.95Å; K2790-E2792 VanDerWaalsContact CE-OE1 3.28Å; K2790-E2792 WeakPolarHBondContact CE-OE1 3.4Å; K2790-E2792 IonicContact NZ-OE1 3.81Å; K2790-E2792 PolarHBondContact NZ-OE1 2.79Å |
| 2791 | W | 96.4 | Very high | 95.6 | Very high | 41.4 Ų | 41.4 | 35.1 Ų | 35.1 | 16% | 0.157 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.3 | -178.4 | -56.6 | 101.9 | 0 | 0 | 0 | 110.8 | M2755 A2765 I2766 I2789 T2794 R2797 S2814 L2815 | M2755-W2791 HydrophobicContact CB-CE3 3.83Å; M2755-W2791 HydrophobicContact CB-CZ3 3.79Å; M2755-W2791 HydrophobicContact CG-CE3 4.18Å; M2755-W2791 HydrophobicContact CG-CH2 4.34Å; M2755-W2791 HydrophobicContact CG-CZ3 4.16Å; M2755-W2791 HydrophobicContact SD-CE3 4.34Å; M2755-W2791 HydrophobicContact SD-CH2 3.65Å; M2755-W2791 VanDerWaalsContact SD-CH2 3.59Å; M2755-W2791 HydrophobicContact SD-CZ3 3.47Å; M2755-W2791 VanDerWaalsContact SD-CZ3 3.51Å; M2755-W2791 WeakPolarHBondContact SD-CZ3 3.39Å; A2765-W2791 HydrophobicContact CB-CH2 4.19Å; A2765-W2791 HydrophobicContact CB-CZ3 3.64Å; I2766-W2791 HydrophobicContact CD1-CH2 4.21Å; I2789-W2791 HydrophobicContact CG2-CD2 4.23Å; I2789-W2791 HydrophobicContact CG2-CH2 4.23Å; I2789-W2791 HydrophobicContact CG2-CZ2 3.65Å; W2791-T2794 HydrophobicContact CD2-CG2 4.5Å; W2791-T2794 HydrophobicContact CE3-CG2 3.44Å; W2791-T2794 VanDerWaalsContact CE3-CG2 3.44Å; W2791-T2794 HydrophobicContact CZ3-CG2 3.73Å; W2791-R2797 VanDerWaalsContact CD1-NH1 3.29Å; W2791-R2797 HydrophobicContact CD2-CG 4.12Å; W2791-R2797 HydrophobicContact CE3-CG 3.92Å; W2791-R2797 HydrophobicContact CH2-CB 3.69Å; W2791-R2797 HydrophobicContact CH2-CG 3.78Å; W2791-R2797 HydrophobicContact CZ2-CB 4.12Å; W2791-R2797 HydrophobicContact CZ2-CG 3.99Å; W2791-R2797 HydrophobicContact CZ3-CB 4Å; W2791-R2797 HydrophobicContact CZ3-CG 3.75Å; W2791-R2797 VanDerWaalsContact NE1-NH1 3.15Å; W2791-S2814 PolarHBondContact NE1-O 3.18Å; W2791-S2814 VanDerWaalsContact NE1-O 3.15Å; W2791-L2815 HydrophobicContact CZ2-CD1 3.95Å; W2791-L2815 WeakPolarHBondContact CZ2-O 3.32Å; W2791-L2815 PolarHBondContact NE1-O 2.86Å; W2791-L2815 VanDerWaalsContact NE1-O 3.11Å |
| 2792 | E | 95.2 | Very high | 95.6 | Very high | 50.4 Ų | 50.4 | 35.8 Ų | 35.8 | 24% | 0.236 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 116.1 | 175.6 | -68.4 | -174.1 | -169.5 | 0 | 0 | 109.9 | P2389 V2754 M2755 K2756 N2757 K2790 T2794 | P2389-E2792 WeakPolarHBondContact CG-OE2 3.35Å; V2754-E2792 HydrophobicContact CG1-CG 4.33Å; M2755-E2792 PolarHBondContact O-N 3.05Å; M2755-E2792 VanDerWaalsContact O-N 3.14Å; K2756-E2792 CarbonylContact C-O 3.42Å; K2756-E2792 VanDerWaalsContact CA-O 3.24Å; K2756-E2792 WeakPolarHBondContact CA-O 3.32Å; K2756-E2792 HydrophobicContact CB-CB 4.13Å; K2756-E2792 HydrophobicContact CG-CB 3.93Å; K2756-E2792 IonicContact NZ-OE2 3.4Å; K2756-E2792 PolarHBondContact NZ-OE2 2.76Å; N2757-E2792 PolarHBondContact N-O 3.08Å; K2790-E2792 VanDerWaalsContact CE-OE1 3.28Å; K2790-E2792 WeakPolarHBondContact CE-OE1 3.4Å; K2790-E2792 IonicContact NZ-OE1 3.81Å; K2790-E2792 PolarHBondContact NZ-OE1 2.79Å; E2792-T2794 PolarHBondContact O-N 2.83Å; E2792-T2794 VanDerWaalsContact O-N 3.11Å; E2792-T2794 PolarHBondContact O-OG1 3Å |
| 2793 | N | 93.7 | Very high | 95.5 | Very high | 90.4 Ų | 90.4 | 36.3 Ų | 36.3 | 48% | 0.483 | 17% | 0.172 | S | C | . | . | S | Bend | trans | 49.8 | 43.2 | 179.8 | -171.4 | 30.3 | 0 | 0 | 0 | 112.9 | N2757 N2759 | N2757-N2793 WeakPolarHBondContact CA-O 3.33Å; N2757-N2793 WeakPolarHBondContact OD1-CB 3.27Å; N2757-N2793 PolarHBondContact OD1-ND2 2.89Å; N2759-N2793 VanDerWaalsContact ND2-CG 3.29Å; N2759-N2793 PolarHBondContact ND2-ND2 3.01Å; N2759-N2793 PolarHBondContact ND2-O 2.68Å; N2759-N2793 PolarHBondContact ND2-OD1 3.09Å; N2759-N2793 VanDerWaalsContact ND2-OD1 3.1Å |
| 2794 | T | 94.9 | Very high | 95.2 | Very high | 10 Ų | 10 | 36 Ų | 36 | 6% | 0.061 | 17% | 0.171 | C | C | . | . | trans | -123.6 | 105.6 | -174.5 | -70.7 | 0 | 0 | 0 | 0 | 109.8 | M2755 N2757 F2758 A2765 W2791 E2792 R2797 | M2755-T2794 PolarHBondContact O-OG1 2.96Å; M2755-T2794 VanDerWaalsContact O-OG1 3.11Å; N2757-T2794 PolarHBondContact N-OG1 3.12Å; F2758-T2794 HydrophobicContact CB-CG2 3.68Å; F2758-T2794 HydrophobicContact CD2-CG2 4.47Å; F2758-T2794 PolarHBondContact N-OG1 3.01Å; F2758-T2794 WeakPolarHBondContact O-CA 3.39Å; A2765-T2794 HydrophobicContact CB-CG2 4.44Å; W2791-T2794 HydrophobicContact CD2-CG2 4.5Å; W2791-T2794 HydrophobicContact CE3-CG2 3.44Å; W2791-T2794 VanDerWaalsContact CE3-CG2 3.44Å; W2791-T2794 HydrophobicContact CZ3-CG2 3.73Å; E2792-T2794 PolarHBondContact O-N 2.83Å; E2792-T2794 VanDerWaalsContact O-N 3.11Å; E2792-T2794 PolarHBondContact O-OG1 3Å; T2794-R2797 HydrophobicContact CG2-CG 4.15Å | ||
| 2795 | N | 92.5 | Very high | 95.1 | Very high | 101.2 Ų | 101.2 | 36 Ų | 36 | 54% | 0.541 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -97.1 | -13.6 | 176.3 | -65.6 | -19.3 | 0 | 0 | 0 | 112.1 | F2758 N2759 A2855 | F2758-N2795 PolarHBondContact O-N 3.03Å; F2758-N2795 VanDerWaalsContact O-N 3.07Å; N2759-N2795 HydrophobicContact CB-CB 4.49Å; N2795-A2855 VanDerWaalsContact O-CA 3.28Å; N2795-A2855 WeakPolarHBondContact O-CA 3.41Å |
| 2796 | N | 95.8 | Very high | 95 | Very high | 20.8 Ų | 20.8 | 34.5 Ų | 34.5 | 11% | 0.111 | 16% | 0.163 | C | C | . | . | trans | -114.6 | 88.5 | -178.1 | -61.6 | -19.3 | 0 | 0 | 0 | 109.5 | F2758 S2760 C2763 T2764 A2765 Q2858 | F2758-N2796 WeakPolarHBondContact O-CB 3.22Å; F2758-N2796 PolarHBondContact O-N 2.98Å; S2760-N2796 PolarHBondContact O-ND2 3.09Å; C2763-N2796 VanDerWaalsContact O-CB 3.25Å; C2763-N2796 WeakPolarHBondContact O-CB 3.24Å; C2763-N2796 PolarHBondContact O-ND2 2.95Å; T2764-N2796 CarbonylContact C-O 3.16Å; T2764-N2796 WeakPolarHBondContact CA-O 3.35Å; T2764-N2796 HydrophobicContact CG2-CB 4.29Å; T2764-N2796 PolarHBondContact OG1-O 2.87Å; A2765-N2796 PolarHBondContact N-O 2.92Å; N2796-Q2858 HydrophobicContact CB-CG 3.68Å; N2796-Q2858 PolarHBondContact OD1-NE2 3.31Å | ||
| 2797 | R | 96.6 | Very high | 94.9 | Very high | 12.2 Ų | 12.2 | 34.5 Ų | 34.5 | 5% | 0.046 | 16% | 0.164 | C | C | . | . | trans | -87.7 | -42.2 | -173.2 | -61.8 | -173.3 | -179.2 | -168.1 | 4.9 | 113 | A2765 I2766 W2791 T2794 L2815 D2817 A2855 F2856 | A2765-R2797 WeakPolarHBondContact CB-O 3.34Å; I2766-R2797 VanDerWaalsContact CB-O 3.32Å; I2766-R2797 WeakPolarHBondContact CB-O 3.35Å; I2766-R2797 WeakPolarHBondContact CG1-O 3.21Å; I2766-R2797 PolarHBondContact N-O 3.13Å; W2791-R2797 VanDerWaalsContact CD1-NH1 3.29Å; W2791-R2797 HydrophobicContact CD2-CG 4.12Å; W2791-R2797 HydrophobicContact CE3-CG 3.92Å; W2791-R2797 HydrophobicContact CH2-CB 3.69Å; W2791-R2797 HydrophobicContact CH2-CG 3.78Å; W2791-R2797 HydrophobicContact CZ2-CB 4.12Å; W2791-R2797 HydrophobicContact CZ2-CG 3.99Å; W2791-R2797 HydrophobicContact CZ3-CB 4Å; W2791-R2797 HydrophobicContact CZ3-CG 3.75Å; W2791-R2797 VanDerWaalsContact NE1-NH1 3.15Å; T2794-R2797 HydrophobicContact CG2-CG 4.15Å; R2797-L2815 PolarHBondContact NH1-O 3.16Å; R2797-D2817 VanDerWaalsContact CZ-O 3.26Å; R2797-D2817 PolarHBondContact NH1-O 3.22Å; R2797-D2817 PolarHBondContact NH2-O 3.22Å; R2797-A2855 WeakPolarHBondContact CA-O 3.32Å; R2797-A2855 VanDerWaalsContact CB-O 3.26Å; R2797-A2855 WeakPolarHBondContact CB-O 3.27Å; R2797-A2855 HydrophobicContact CG-CB 4.27Å; R2797-A2855 PolarHBondContact N-O 2.98Å; R2797-F2856 HydrophobicContact CB-CD1 4.5Å; R2797-F2856 HydrophobicContact CB-CD2 4.36Å; R2797-F2856 HydrophobicContact CB-CE1 4.19Å; R2797-F2856 HydrophobicContact CB-CE2 4Å; R2797-F2856 HydrophobicContact CB-CZ 3.89Å; R2797-F2856 HydrophobicContact CG-CE2 4.4Å | ||
| 2798 | A | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.148 | C | C | . | . | B | Isolated β-bridge | trans | -150.9 | 145.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T2764 I2766 F2800 F2806 L2808 A2855 F2856 Q2858 | T2764-A2798 VanDerWaalsContact CG2-C 3.5Å; I2766-A2798 HydrophobicContact CB-CB 3.92Å; I2766-A2798 HydrophobicContact CG2-CB 4.42Å; I2766-A2798 VanDerWaalsContact O-CA 3.3Å; I2766-A2798 WeakPolarHBondContact O-CA 3.34Å; A2798-F2800 HydrophobicContact CB-CE2 4.24Å; A2798-F2806 HydrophobicContact CB-CE2 4.48Å; A2798-L2808 HydrophobicContact CB-CD1 4.17Å; A2798-A2855 PolarHBondContact N-O 3.08Å; A2798-F2856 HydrophobicContact CB-CD1 3.53Å; A2798-F2856 HydrophobicContact CB-CE1 3.93Å; A2798-F2856 HydrophobicContact CB-CG 4.45Å; A2798-F2856 CarbonylContact O-C 3.34Å; A2798-F2856 WeakPolarHBondContact O-CA 3.44Å; A2798-Q2858 PolarHBondContact O-OE1 3.17Å; A2798-Q2858 VanDerWaalsContact O-OE1 3.06Å |
| 2799 | E | 95 | Very high | 94.9 | Very high | 35 Ų | 35 | 28.2 Ų | 28.2 | 16% | 0.164 | 13% | 0.132 | C | C | . | . | trans | -114.6 | 111.4 | 178.9 | 179.1 | -174.8 | 163.5 | 0 | 0 | 110.5 | R2738 T2764 I2766 H2767 F2806 Q2858 | R2738-E2799 IonicContact CZ-OE2 3.85Å; R2738-E2799 IonicContact NE-OE2 3.29Å; R2738-E2799 PolarHBondContact NE-OE2 3.02Å; R2738-E2799 IonicContact NH2-OE2 3.73Å; R2738-E2799 PolarHBondContact NH2-OE2 3.02Å; T2764-E2799 HydrophobicContact CG2-CB 3.68Å; T2764-E2799 VanDerWaalsContact CG2-CB 3.47Å; T2764-E2799 WeakPolarHBondContact CG2-OE2 3.36Å; I2766-E2799 PolarHBondContact O-N 3.17Å; H2767-E2799 VanDerWaalsContact CD2-CD 3.49Å; H2767-E2799 IonicContact CD2-OE1 3.17Å; H2767-E2799 IonicContact CD2-OE2 3.03Å; H2767-E2799 PolarHBondContact CD2-OE2 2.96Å; H2767-E2799 VanDerWaalsContact CD2-OE2 3.28Å; H2767-E2799 IonicContact NE2-OE1 2.98Å; H2767-E2799 IonicContact NE2-OE2 3.47Å; E2799-F2806 WeakPolarHBondContact O-CE1 3.31Å; E2799-F2806 VanDerWaalsContact O-CZ 3.28Å; E2799-F2806 WeakPolarHBondContact O-CZ 3.25Å; E2799-Q2858 HydrophobicContact CB-CB 3.97Å; E2799-Q2858 HydrophobicContact CG-CB 4.21Å | ||
| 2800 | F | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -95.3 | 113.1 | 173.6 | -64.2 | -86.7 | 0 | 0 | 0 | 110.4 | A2798 W2802 D2805 F2806 L2808 V2830 G2832 F2856 G2859 A2860 V2861 | A2798-F2800 HydrophobicContact CB-CE2 4.24Å; F2800-W2802 PolarHBondContact O-N 2.93Å; F2800-D2805 HydrophobicContact CD1-CB 4.34Å; F2800-F2806 HydrophobicContact CD1-CD2 4.14Å; F2800-F2806 HydrophobicContact CD1-CE1 4.37Å; F2800-F2806 AromaticContact CD1-CE2 3.78Å; F2800-F2806 HydrophobicContact CD1-CE2 3.78Å; F2800-F2806 AromaticContact CD1-CZ 3.91Å; F2800-F2806 HydrophobicContact CD1-CZ 3.91Å; F2800-F2806 AromaticContact CE1-CD2 3.54Å; F2800-F2806 HydrophobicContact CE1-CD2 3.54Å; F2800-F2806 AromaticContact CE1-CE2 3.29Å; F2800-F2806 HydrophobicContact CE1-CE2 3.29Å; F2800-F2806 HydrophobicContact CE1-CG 4.33Å; F2800-F2806 AromaticContact CE1-CZ 3.91Å; F2800-F2806 HydrophobicContact CE1-CZ 3.91Å; F2800-F2806 WeakPolarHBondContact CE1-O 3.37Å; F2800-F2806 HydrophobicContact CE2-CE2 4.39Å; F2800-F2806 HydrophobicContact CG-CE2 4.45Å; F2800-F2806 HydrophobicContact CG-CZ 4.36Å; F2800-F2806 HydrophobicContact CZ-CD2 4.18Å; F2800-F2806 AromaticContact CZ-CE2 3.64Å; F2800-F2806 HydrophobicContact CZ-CE2 3.64Å; F2800-F2806 HydrophobicContact CZ-CZ 4.36Å; F2800-L2808 HydrophobicContact CZ-CD1 4.37Å; F2800-V2830 HydrophobicContact CE2-CG1 4.17Å; F2800-V2830 HydrophobicContact CZ-CG1 3.95Å; F2800-G2832 VanDerWaalsContact CE1-N 3.34Å; F2800-F2856 HydrophobicContact CE2-CB 4.39Å; F2800-F2856 HydrophobicContact CE2-CD1 4.28Å; F2800-G2859 CarbonylContact O-C 3.59Å; F2800-G2859 VanDerWaalsContact O-CA 3.28Å; F2800-G2859 WeakPolarHBondContact O-CA 3.37Å; F2800-A2860 PolarHBondContact O-N 3.21Å; F2800-A2860 VanDerWaalsContact O-N 3.07Å; F2800-V2861 HydrophobicContact CB-CG2 3.63Å; F2800-V2861 VanDerWaalsContact CB-CG2 3.46Å; F2800-V2861 HydrophobicContact CG-CG2 4.47Å; F2800-V2861 PolarHBondContact O-N 2.87Å |
| 2801 | R | 93.2 | Very high | 94.9 | Very high | 50.6 Ų | 50.6 | 25.7 Ų | 25.7 | 19% | 0.191 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -73.2 | -19.4 | -178.8 | -61.6 | 167 | -68.3 | -175.8 | 2.6 | 112.8 | H2767 G2768 T2769 D2805 A2860 | H2767-R2801 WeakPolarHBondContact NE2-CD 3.39Å; G2768-R2801 VanDerWaalsContact C-NH2 3.32Å; G2768-R2801 VanDerWaalsContact O-CZ 3.27Å; G2768-R2801 PolarHBondContact O-NH1 3.16Å; G2768-R2801 VanDerWaalsContact O-NH1 3.14Å; G2768-R2801 PolarHBondContact O-NH2 2.98Å; T2769-R2801 PolarHBondContact O-NH1 2.93Å; T2769-R2801 VanDerWaalsContact O-NH1 3.1Å; T2769-R2801 PolarHBondContact O-NH2 3.08Å; T2769-R2801 VanDerWaalsContact O-NH2 3.11Å; R2801-D2805 VanDerWaalsContact CB-OD2 3.31Å; R2801-D2805 WeakPolarHBondContact CB-OD2 3.26Å; R2801-D2805 WeakPolarHBondContact CG-OD2 3.43Å; R2801-D2805 IonicContact CZ-OD1 3.17Å; R2801-D2805 IonicContact CZ-OD2 3.44Å; R2801-D2805 PolarHBondContact N-OD2 2.98Å; R2801-D2805 IonicContact NE-OD1 3.54Å; R2801-D2805 PolarHBondContact NE-OD1 2.97Å; R2801-D2805 IonicContact NE-OD2 3.52Å; R2801-D2805 PolarHBondContact NE-OD2 2.68Å; R2801-D2805 IonicContact NH2-OD1 3.11Å; R2801-D2805 PolarHBondContact NH2-OD1 3.14Å; R2801-D2805 IonicContact NH2-OD2 3.26Å; R2801-A2860 VanDerWaalsContact O-CB 3.3Å; R2801-A2860 WeakPolarHBondContact O-CB 3.3Å |
| 2802 | W | 92.3 | Very high | 94.9 | Very high | 19 Ų | 19 | 25.2 Ų | 25.2 | 7% | 0.072 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -168.5 | 171.4 | 178 | 62.1 | -62.7 | 0 | 0 | 0 | 110.2 | K2777 L2778 C2779 F2800 G2804 D2805 V2861 M2916 | K2777-W2802 HydrophobicContact CB-CZ3 4.39Å; K2777-W2802 HydrophobicContact CG-CE3 4.13Å; K2777-W2802 HydrophobicContact CG-CZ3 3.91Å; L2778-W2802 VanDerWaalsContact CA-CE2 3.46Å; L2778-W2802 HydrophobicContact CB-CD2 4.14Å; L2778-W2802 HydrophobicContact CB-CE3 4.37Å; L2778-W2802 HydrophobicContact CB-CZ2 4.38Å; L2778-W2802 HydrophobicContact CD2-CB 4.06Å; L2778-W2802 VanDerWaalsContact CD2-CB 3.43Å; L2778-W2802 HydrophobicContact CD2-CD2 3.89Å; L2778-W2802 HydrophobicContact CD2-CE3 3.84Å; L2778-W2802 HydrophobicContact CD2-CG 3.89Å; L2778-W2802 HydrophobicContact CD2-CZ3 4.33Å; L2778-W2802 HydrophobicContact CG-CD2 4.49Å; L2778-W2802 VanDerWaalsContact N-CZ2 3.29Å; L2778-W2802 WeakPolarHBondContact O-CZ2 3.31Å; C2779-W2802 WeakPolarHBondContact O-CZ2 3.47Å; C2779-W2802 PolarHBondContact O-NE1 3.07Å; C2779-W2802 VanDerWaalsContact O-NE1 3.09Å; F2800-W2802 PolarHBondContact O-N 2.93Å; W2802-G2804 VanDerWaalsContact C-N 3.33Å; W2802-G2804 VanDerWaalsContact CD1-C 3.47Å; W2802-G2804 VanDerWaalsContact CE2-C 3.47Å; W2802-G2804 VanDerWaalsContact CH2-C 3.47Å; W2802-G2804 VanDerWaalsContact CH2-CA 3.47Å; W2802-G2804 WeakPolarHBondContact CH2-O 3.37Å; W2802-G2804 WeakPolarHBondContact CZ2-O 3.36Å; W2802-G2804 VanDerWaalsContact CZ3-CA 3.45Å; W2802-G2804 VanDerWaalsContact CZ3-N 3.32Å; W2802-G2804 PolarHBondContact O-N 2.95Å; W2802-G2804 VanDerWaalsContact O-N 3.13Å; W2802-D2805 VanDerWaalsContact CD1-N 3.33Å; W2802-D2805 HydrophobicContact CD2-CB 4.46Å; W2802-D2805 HydrophobicContact CG-CB 4.44Å; W2802-D2805 VanDerWaalsContact NE1-CA 3.31Å; W2802-D2805 WeakPolarHBondContact O-CB 3.4Å; W2802-D2805 PolarHBondContact O-N 3.22Å; W2802-D2805 VanDerWaalsContact O-N 3.16Å; W2802-V2861 VanDerWaalsContact C-CG2 3.44Å; W2802-V2861 WeakPolarHBondContact O-CG2 3.03Å; W2802-M2916 HydrophobicContact CH2-CE 3.31Å; W2802-M2916 VanDerWaalsContact CH2-CE 3.41Å; W2802-M2916 WeakPolarHBondContact CH2-O 3.41Å; W2802-M2916 HydrophobicContact CH2-SD 3.68Å; W2802-M2916 HydrophobicContact CZ2-CE 3.35Å; W2802-M2916 HydrophobicContact CZ2-SD 4.28Å; W2802-M2916 VanDerWaalsContact CZ3-O 3.29Å; W2802-M2916 WeakPolarHBondContact CZ3-O 3.35Å |
| 2803 | H | 90.7 | Very high | 95 | Very high | 31 Ų | 31 | 22.8 Ų | 22.8 | 14% | 0.144 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -31.2 | -170.8 | 29.5 | -100.7 | 0 | 0 | 0 | 115.2 | K2833 A2834 V2861 E2900 T2917 | H2803-K2833 VanDerWaalsContact CB-O 3.26Å; H2803-K2833 WeakPolarHBondContact CB-O 3.39Å; H2803-K2833 PolarHBondContact ND1-O 2.99Å; H2803-A2834 HydrophobicContact CB-CB 3.79Å; H2803-V2861 VanDerWaalsContact CE1-CG1 3.5Å; H2803-V2861 WeakPolarHBondContact CE1-CG1 3.48Å; H2803-E2900 IonicContact CD2-OE1 3.36Å; H2803-E2900 PolarHBondContact CD2-OE1 2.93Å; H2803-E2900 IonicContact CE1-OE1 3.11Å; H2803-E2900 PolarHBondContact CE1-OE1 2.97Å; H2803-E2900 IonicContact CG-OE1 3.08Å; H2803-E2900 IonicContact ND1-OE1 3.22Å; H2803-E2900 PolarHBondContact ND1-OE1 2.77Å; H2803-E2900 IonicContact NE2-OE1 3.37Å; H2803-E2900 PolarHBondContact NE2-OE1 2.77Å; H2803-T2917 PolarHBondContact CD2-OG1 2.93Å; H2803-T2917 PolarHBondContact NE2-OG1 2.83Å; H2803-T2917 VanDerWaalsContact NE2-OG1 3.1Å |
| 2804 | G | 90.2 | Very high | 95.2 | Very high | 1.2 Ų | 1.2 | 18.8 Ų | 18.8 | 1% | 0.012 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | 27 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G2781 W2802 M2916 | G2781-G2804 VanDerWaalsContact CA-O 3.27Å; G2781-G2804 WeakPolarHBondContact CA-O 3.3Å; G2781-G2804 PolarHBondContact N-O 2.96Å; W2802-G2804 VanDerWaalsContact C-N 3.33Å; W2802-G2804 VanDerWaalsContact CD1-C 3.47Å; W2802-G2804 VanDerWaalsContact CE2-C 3.47Å; W2802-G2804 VanDerWaalsContact CH2-C 3.47Å; W2802-G2804 VanDerWaalsContact CH2-CA 3.47Å; W2802-G2804 WeakPolarHBondContact CH2-O 3.37Å; W2802-G2804 WeakPolarHBondContact CZ2-O 3.36Å; W2802-G2804 VanDerWaalsContact CZ3-CA 3.45Å; W2802-G2804 VanDerWaalsContact CZ3-N 3.32Å; W2802-G2804 PolarHBondContact O-N 2.95Å; W2802-G2804 VanDerWaalsContact O-N 3.13Å; G2804-M2916 VanDerWaalsContact O-CE 3.32Å; G2804-M2916 WeakPolarHBondContact O-CE 3.33Å |
| 2805 | D | 93.2 | Very high | 95.3 | Very high | 1.8 Ų | 1.8 | 18.3 Ų | 18.3 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -65.8 | -56.9 | -172.9 | -160 | -1.4 | 0 | 0 | 0 | 113.2 | G2780 G2781 F2800 R2801 W2802 | G2780-D2805 CarbonylContact C-O 3.52Å; G2780-D2805 VanDerWaalsContact CA-O 3.25Å; G2780-D2805 WeakPolarHBondContact CA-O 3.37Å; G2781-D2805 PolarHBondContact N-O 2.9Å; F2800-D2805 HydrophobicContact CD1-CB 4.34Å; R2801-D2805 VanDerWaalsContact CB-OD2 3.31Å; R2801-D2805 WeakPolarHBondContact CB-OD2 3.26Å; R2801-D2805 WeakPolarHBondContact CG-OD2 3.43Å; R2801-D2805 IonicContact CZ-OD1 3.17Å; R2801-D2805 IonicContact CZ-OD2 3.44Å; R2801-D2805 PolarHBondContact N-OD2 2.98Å; R2801-D2805 IonicContact NE-OD1 3.54Å; R2801-D2805 PolarHBondContact NE-OD1 2.97Å; R2801-D2805 IonicContact NE-OD2 3.52Å; R2801-D2805 PolarHBondContact NE-OD2 2.68Å; R2801-D2805 IonicContact NH2-OD1 3.11Å; R2801-D2805 PolarHBondContact NH2-OD1 3.14Å; R2801-D2805 IonicContact NH2-OD2 3.26Å; W2802-D2805 VanDerWaalsContact CD1-N 3.33Å; W2802-D2805 HydrophobicContact CD2-CB 4.46Å; W2802-D2805 HydrophobicContact CG-CB 4.44Å; W2802-D2805 VanDerWaalsContact NE1-CA 3.31Å; W2802-D2805 WeakPolarHBondContact O-CB 3.4Å; W2802-D2805 PolarHBondContact O-N 3.22Å; W2802-D2805 VanDerWaalsContact O-N 3.16Å |
| 2806 | F | 95.3 | Very high | 95.4 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 1% | 0.013 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 167.8 | 176.2 | 47 | -96.7 | 0 | 0 | 0 | 110.7 | L2742 I2766 Y2784 A2798 E2799 F2800 L2808 | L2742-F2806 HydrophobicContact CD1-CB 4.39Å; L2742-F2806 HydrophobicContact CD1-CD1 4.47Å; L2742-F2806 HydrophobicContact CD1-CD2 4Å; L2742-F2806 HydrophobicContact CD1-CE2 4.38Å; L2742-F2806 HydrophobicContact CD1-CG 4.05Å; I2766-F2806 HydrophobicContact CG2-CE2 4.22Å; I2766-F2806 HydrophobicContact CG2-CZ 4.4Å; Y2784-F2806 HydrophobicContact CD2-CB 4.17Å; Y2784-F2806 HydrophobicContact CE2-CB 3.64Å; A2798-F2806 HydrophobicContact CB-CE2 4.48Å; E2799-F2806 WeakPolarHBondContact O-CE1 3.31Å; E2799-F2806 VanDerWaalsContact O-CZ 3.28Å; E2799-F2806 WeakPolarHBondContact O-CZ 3.25Å; F2800-F2806 HydrophobicContact CD1-CD2 4.14Å; F2800-F2806 HydrophobicContact CD1-CE1 4.37Å; F2800-F2806 AromaticContact CD1-CE2 3.78Å; F2800-F2806 HydrophobicContact CD1-CE2 3.78Å; F2800-F2806 AromaticContact CD1-CZ 3.91Å; F2800-F2806 HydrophobicContact CD1-CZ 3.91Å; F2800-F2806 AromaticContact CE1-CD2 3.54Å; F2800-F2806 HydrophobicContact CE1-CD2 3.54Å; F2800-F2806 AromaticContact CE1-CE2 3.29Å; F2800-F2806 HydrophobicContact CE1-CE2 3.29Å; F2800-F2806 HydrophobicContact CE1-CG 4.33Å; F2800-F2806 AromaticContact CE1-CZ 3.91Å; F2800-F2806 HydrophobicContact CE1-CZ 3.91Å; F2800-F2806 WeakPolarHBondContact CE1-O 3.37Å; F2800-F2806 HydrophobicContact CE2-CE2 4.39Å; F2800-F2806 HydrophobicContact CG-CE2 4.45Å; F2800-F2806 HydrophobicContact CG-CZ 4.36Å; F2800-F2806 HydrophobicContact CZ-CD2 4.18Å; F2800-F2806 AromaticContact CZ-CE2 3.64Å; F2800-F2806 HydrophobicContact CZ-CE2 3.64Å; F2800-F2806 HydrophobicContact CZ-CZ 4.36Å; F2806-L2808 HydrophobicContact CD2-CD1 4.38Å; F2806-L2808 HydrophobicContact CD2-CD2 3.55Å; F2806-L2808 HydrophobicContact CD2-CG 3.86Å; F2806-L2808 HydrophobicContact CE2-CD1 3.99Å; F2806-L2808 HydrophobicContact CE2-CD2 3.86Å; F2806-L2808 HydrophobicContact CE2-CG 3.98Å |
| 2807 | S | 96.1 | Very high | 95.3 | Very high | 1.2 Ų | 1.2 | 16.1 Ų | 16.1 | 1% | 0.008 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 127.6 | 177.2 | -61.4 | 0 | 0 | 0 | 0 | 110.2 | Y2782 E2783 Y2784 V2831 A2872 | Y2782-S2807 PolarHBondContact O-N 3.09Å; E2783-S2807 CarbonylContact C-O 3.45Å; E2783-S2807 VanDerWaalsContact CA-O 3.31Å; E2783-S2807 WeakPolarHBondContact CA-O 3.26Å; Y2784-S2807 PolarHBondContact N-O 3.02Å; S2807-V2831 WeakPolarHBondContact OG-CG1 3.33Å; S2807-A2872 WeakPolarHBondContact OG-CB 3.4Å |
| 2808 | L | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 111.7 | -178.7 | -46.6 | 176 | 0 | 0 | 0 | 109.4 | L2742 I2766 Y2784 F2786 A2798 F2800 F2806 L2815 L2829 V2830 F2856 | L2742-L2808 HydrophobicContact CD1-CD2 3.66Å; I2766-L2808 HydrophobicContact CD1-CD1 4.14Å; I2766-L2808 HydrophobicContact CG2-CD1 4.3Å; I2766-L2808 HydrophobicContact CG2-CD2 4.09Å; Y2784-L2808 HydrophobicContact CD2-CD2 4.41Å; F2786-L2808 HydrophobicContact CD2-CB 4.19Å; F2786-L2808 HydrophobicContact CD2-CD2 4.17Å; F2786-L2808 HydrophobicContact CE2-CB 4.3Å; F2786-L2808 HydrophobicContact CE2-CD2 3.43Å; F2786-L2808 VanDerWaalsContact CE2-CD2 3.43Å; F2786-L2808 HydrophobicContact CE2-CG 4.37Å; F2786-L2808 HydrophobicContact CZ-CD2 3.99Å; A2798-L2808 HydrophobicContact CB-CD1 4.17Å; F2800-L2808 HydrophobicContact CZ-CD1 4.37Å; F2806-L2808 HydrophobicContact CD2-CD1 4.38Å; F2806-L2808 HydrophobicContact CD2-CD2 3.55Å; F2806-L2808 HydrophobicContact CD2-CG 3.86Å; F2806-L2808 HydrophobicContact CE2-CD1 3.99Å; F2806-L2808 HydrophobicContact CE2-CD2 3.86Å; F2806-L2808 HydrophobicContact CE2-CG 3.98Å; L2808-L2815 HydrophobicContact CB-CD2 3.62Å; L2808-L2815 HydrophobicContact CD1-CD2 4.04Å; L2808-L2815 HydrophobicContact CG-CD2 4.48Å; L2808-L2829 CarbonylContact O-C 3.46Å; L2808-L2829 WeakPolarHBondContact O-CA 3.25Å; L2808-L2829 WeakPolarHBondContact O-CD1 3.33Å; L2808-V2830 HydrophobicContact CB-CB 4.26Å; L2808-V2830 PolarHBondContact N-O 2.96Å; L2808-V2830 PolarHBondContact O-N 3.12Å; L2808-F2856 HydrophobicContact CD1-CE1 4.24Å |
| 2809 | R | 97.3 | Very high | 95 | Very high | 9 Ų | 9 | 19.8 Ų | 19.8 | 3% | 0.034 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 111.5 | 175.3 | -173.2 | 64.7 | 55.7 | 173.6 | -2.3 | 109.2 | E2783 Y2784 L2785 F2786 V2811 G2827 L2829 P2868 V2870 R2948 | E2783-R2809 HydrophobicContact CG-CB 4.23Å; E2783-R2809 IonicContact OE2-CZ 3.46Å; E2783-R2809 VanDerWaalsContact OE2-CZ 3.25Å; E2783-R2809 IonicContact OE2-NE 3.35Å; E2783-R2809 PolarHBondContact OE2-NE 3.02Å; E2783-R2809 IonicContact OE2-NH2 2.85Å; E2783-R2809 PolarHBondContact OE2-NH2 3.11Å; Y2784-R2809 PolarHBondContact O-N 2.95Å; L2785-R2809 HydrophobicContact CD2-CB 3.61Å; L2785-R2809 HydrophobicContact CD2-CG 3.81Å; F2786-R2809 PolarHBondContact N-O 3.01Å; R2809-V2811 HydrophobicContact CG-CG2 4.42Å; R2809-V2811 PolarHBondContact O-N 3.08Å; R2809-G2827 VanDerWaalsContact CD-O 3.28Å; R2809-G2827 WeakPolarHBondContact CD-O 3.28Å; R2809-G2827 PolarHBondContact NH1-O 2.95Å; R2809-G2827 VanDerWaalsContact NH1-O 3.11Å; R2809-L2829 HydrophobicContact CB-CD1 4.47Å; R2809-L2829 VanDerWaalsContact CZ-CD1 3.49Å; R2809-P2868 PolarHBondContact NH1-O 2.92Å; R2809-V2870 VanDerWaalsContact CZ-O 3.29Å; R2809-V2870 PolarHBondContact NH1-O 3.15Å; R2809-V2870 PolarHBondContact NH2-O 3.18Å; R2809-R2948 VanDerWaalsContact CZ-CZ 3.47Å; R2809-R2948 VanDerWaalsContact CZ-NH2 3.27Å; R2809-R2948 VanDerWaalsContact NH2-NH2 3.15Å |
| 2810 | D | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 89 | 176.6 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | D2812 G2813 S2814 L2815 T2816 G2827 S2828 | D2810-D2812 VanDerWaalsContact C-N 3.31Å; D2810-D2812 PolarHBondContact O-N 3.04Å; D2810-G2813 WeakPolarHBondContact OD1-CA 3.37Å; D2810-G2813 PolarHBondContact OD1-N 3Å; D2810-G2813 VanDerWaalsContact OD2-C 3.23Å; D2810-G2813 VanDerWaalsContact OD2-CA 3.24Å; D2810-G2813 WeakPolarHBondContact OD2-CA 3.39Å; D2810-S2814 PolarHBondContact OD1-N 3.19Å; D2810-L2815 HydrophobicContact CB-CB 3.84Å; D2810-L2815 HydrophobicContact CB-CD2 4.2Å; D2810-L2815 WeakPolarHBondContact OD1-CB 3.39Å; D2810-L2815 PolarHBondContact OD1-N 3.07Å; D2810-L2815 WeakPolarHBondContact OD2-CB 3.35Å; D2810-L2815 PolarHBondContact OD2-N 2.83Å; D2810-T2816 PolarHBondContact OD2-N 3.14Å; D2810-T2816 VanDerWaalsContact OD2-N 3.11Å; D2810-T2816 PolarHBondContact OD2-OG1 2.95Å; D2810-G2827 CarbonylContact O-C 3.53Å; D2810-G2827 VanDerWaalsContact O-CA 3.3Å; D2810-G2827 WeakPolarHBondContact O-CA 3.25Å; D2810-G2827 PolarHBondContact O-N 3.01Å; D2810-S2828 PolarHBondContact N-O 2.94Å; D2810-S2828 PolarHBondContact O-N 2.91Å |
| 2811 | V | 97.6 | Very high | 94.4 | Very high | 61.6 Ų | 61.6 | 30.8 Ų | 30.8 | 37% | 0.373 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -62.5 | -37.5 | -168.5 | 176.8 | 0 | 0 | 0 | 0 | 112 | L2785 F2786 K2787 R2809 G2827 | L2785-V2811 HydrophobicContact CB-CG2 4.04Å; L2785-V2811 HydrophobicContact CD2-CG2 4.48Å; F2786-V2811 WeakPolarHBondContact O-CB 3.41Å; F2786-V2811 WeakPolarHBondContact O-CG2 3.38Å; F2786-V2811 PolarHBondContact O-N 3.01Å; K2787-V2811 HydrophobicContact CB-CB 4.26Å; K2787-V2811 HydrophobicContact CD-CG1 4.47Å; K2787-V2811 HydrophobicContact CG-CB 4.45Å; R2809-V2811 HydrophobicContact CG-CG2 4.42Å; R2809-V2811 PolarHBondContact O-N 3.08Å; V2811-G2827 PolarHBondContact O-N 3.12Å |
| 2812 | D | 97.5 | Very high | 94.4 | Very high | 31.4 Ų | 31.4 | 29 Ų | 29 | 17% | 0.168 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -122.9 | 1.3 | -172.9 | 66.6 | -9.5 | 0 | 0 | 0 | 114 | K2787 D2788 D2810 S2814 K2824 | K2787-D2812 HydrophobicContact CG-CB 4.21Å; K2787-D2812 WeakPolarHBondContact CG-OD2 3.36Å; D2788-D2812 WeakPolarHBondContact CA-OD2 3.34Å; D2788-D2812 PolarHBondContact N-OD1 2.99Å; D2788-D2812 PolarHBondContact N-OD2 3.03Å; D2810-D2812 VanDerWaalsContact C-N 3.31Å; D2810-D2812 PolarHBondContact O-N 3.04Å; D2812-S2814 VanDerWaalsContact C-N 3.35Å; D2812-S2814 WeakPolarHBondContact OD1-CB 3.31Å; D2812-S2814 PolarHBondContact OD1-N 3.07Å; D2812-S2814 PolarHBondContact OD1-OG 2.94Å; D2812-S2814 PolarHBondContact OD2-OG 2.81Å; D2812-K2824 WeakPolarHBondContact O-CE 3.21Å |
| 2813 | G | 96.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 86.3 | 4.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | D2810 D2817 | D2810-G2813 WeakPolarHBondContact OD1-CA 3.37Å; D2810-G2813 PolarHBondContact OD1-N 3Å; D2810-G2813 VanDerWaalsContact OD2-C 3.23Å; D2810-G2813 VanDerWaalsContact OD2-CA 3.24Å; D2810-G2813 WeakPolarHBondContact OD2-CA 3.39Å; G2813-D2817 WeakPolarHBondContact O-CB 3.26Å; G2813-D2817 PolarHBondContact O-N 3.14Å |
| 2814 | S | 97.4 | Very high | 94.3 | Very high | 5.4 Ų | 5.4 | 35.4 Ų | 35.4 | 4% | 0.038 | 21% | 0.212 | C | C | . | . | trans | -75.3 | -28.7 | -178.7 | 63.4 | 0 | 0 | 0 | 0 | 113.7 | D2788 I2789 W2791 D2810 D2812 T2816 D2817 | D2788-S2814 PolarHBondContact N-OG 2.84Å; I2789-S2814 VanDerWaalsContact N-CB 3.29Å; I2789-S2814 PolarHBondContact N-OG 3.13Å; I2789-S2814 WeakPolarHBondContact O-CB 3.43Å; W2791-S2814 PolarHBondContact NE1-O 3.18Å; W2791-S2814 VanDerWaalsContact NE1-O 3.15Å; D2810-S2814 PolarHBondContact OD1-N 3.19Å; D2812-S2814 VanDerWaalsContact C-N 3.35Å; D2812-S2814 WeakPolarHBondContact OD1-CB 3.31Å; D2812-S2814 PolarHBondContact OD1-N 3.07Å; D2812-S2814 PolarHBondContact OD1-OG 2.94Å; D2812-S2814 PolarHBondContact OD2-OG 2.81Å; S2814-T2816 VanDerWaalsContact C-N 3.27Å; S2814-T2816 PolarHBondContact O-N 3.06Å; S2814-D2817 PolarHBondContact O-N 3Å | ||
| 2815 | L | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -37.7 | -179.9 | -174.7 | 73.2 | 0 | 0 | 0 | 111.1 | I2766 F2786 I2789 W2791 R2797 L2808 D2810 V2830 F2856 | I2766-L2815 HydrophobicContact CD1-CD1 3.71Å; F2786-L2815 HydrophobicContact CB-CB 4.29Å; F2786-L2815 HydrophobicContact CB-CD1 3.95Å; F2786-L2815 HydrophobicContact CB-CD2 4.34Å; F2786-L2815 HydrophobicContact CB-CG 4.43Å; F2786-L2815 HydrophobicContact CD1-CD1 3.61Å; F2786-L2815 VanDerWaalsContact CD1-CD1 3.47Å; F2786-L2815 HydrophobicContact CD2-CD1 4.39Å; F2786-L2815 HydrophobicContact CE1-CD1 4.21Å; F2786-L2815 HydrophobicContact CG-CD1 3.77Å; F2786-L2815 HydrophobicContact CG-CD2 4.46Å; I2789-L2815 HydrophobicContact CG1-CD1 4.48Å; W2791-L2815 HydrophobicContact CZ2-CD1 3.95Å; W2791-L2815 WeakPolarHBondContact CZ2-O 3.32Å; W2791-L2815 PolarHBondContact NE1-O 2.86Å; W2791-L2815 VanDerWaalsContact NE1-O 3.11Å; R2797-L2815 PolarHBondContact NH1-O 3.16Å; L2808-L2815 HydrophobicContact CB-CD2 3.62Å; L2808-L2815 HydrophobicContact CD1-CD2 4.04Å; L2808-L2815 HydrophobicContact CG-CD2 4.48Å; D2810-L2815 HydrophobicContact CB-CB 3.84Å; D2810-L2815 HydrophobicContact CB-CD2 4.2Å; D2810-L2815 WeakPolarHBondContact OD1-CB 3.39Å; D2810-L2815 PolarHBondContact OD1-N 3.07Å; D2810-L2815 WeakPolarHBondContact OD2-CB 3.35Å; D2810-L2815 PolarHBondContact OD2-N 2.83Å; L2815-V2830 HydrophobicContact CD2-CG2 4.21Å; L2815-F2856 HydrophobicContact CD2-CE1 4.47Å; L2815-F2856 HydrophobicContact CG-CE1 4.45Å; L2815-F2856 HydrophobicContact CG-CZ 4.21Å |
| 2816 | T | 95.5 | Very high | 94.7 | Very high | 0.8 Ų | 0.8 | 40.7 Ų | 40.7 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 3.8 | -177.6 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | D2810 S2814 V2830 L2852 F2856 R2865 | D2810-T2816 PolarHBondContact OD2-N 3.14Å; D2810-T2816 VanDerWaalsContact OD2-N 3.11Å; D2810-T2816 PolarHBondContact OD2-OG1 2.95Å; S2814-T2816 VanDerWaalsContact C-N 3.27Å; S2814-T2816 PolarHBondContact O-N 3.06Å; T2816-V2830 HydrophobicContact CG2-CG2 3.88Å; T2816-L2852 HydrophobicContact CG2-CD2 3.8Å; T2816-F2856 HydrophobicContact CG2-CE2 4.31Å; T2816-F2856 HydrophobicContact CG2-CZ 4.19Å; T2816-R2865 PolarHBondContact OG1-NH1 3.15Å; T2816-R2865 VanDerWaalsContact OG1-NH1 3.08Å |
| 2817 | D | 93.7 | Very high | 94.7 | Very high | 74.8 Ų | 74.8 | 41.5 Ų | 41.5 | 40% | 0.4 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | 150.6 | -177.1 | -158.2 | 6.5 | 0 | 0 | 0 | 112.8 | R2797 G2813 S2814 L2819 K2824 | R2797-D2817 VanDerWaalsContact CZ-O 3.26Å; R2797-D2817 PolarHBondContact NH1-O 3.22Å; R2797-D2817 PolarHBondContact NH2-O 3.22Å; G2813-D2817 WeakPolarHBondContact O-CB 3.26Å; G2813-D2817 PolarHBondContact O-N 3.14Å; S2814-D2817 PolarHBondContact O-N 3Å; D2817-L2819 PolarHBondContact O-N 2.91Å; D2817-K2824 IonicContact OD2-NZ 3.41Å; D2817-K2824 PolarHBondContact OD2-NZ 3.22Å |
| 2818 | G | 91.9 | Very high | 94.8 | Very high | 66.8 Ų | 66.8 | 41.4 Ų | 41.4 | 69% | 0.689 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 4.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 2819 | L | 93.6 | Very high | 94.8 | Very high | 23.4 Ų | 23.4 | 41.5 Ų | 41.5 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | trans | -78.8 | 139.8 | 172.9 | -67.3 | -179.4 | 0 | 0 | 0 | 111.5 | D2817 N2821 V2822 L2852 A2855 F2856 | D2817-L2819 PolarHBondContact O-N 2.91Å; L2819-N2821 PolarHBondContact O-N 3.09Å; L2819-V2822 HydrophobicContact CB-CB 3.85Å; L2819-V2822 HydrophobicContact CB-CG1 4.48Å; L2819-V2822 HydrophobicContact CB-CG2 3.8Å; L2819-V2822 HydrophobicContact CD1-CG2 4.47Å; L2819-V2822 PolarHBondContact O-N 2.95Å; L2819-L2852 HydrophobicContact CD1-CD2 3.99Å; L2819-A2855 HydrophobicContact CD1-CB 4.1Å; L2819-A2855 HydrophobicContact CD2-CB 3.45Å; L2819-A2855 VanDerWaalsContact CD2-CB 3.45Å; L2819-A2855 HydrophobicContact CG-CB 4.44Å; L2819-F2856 HydrophobicContact CD1-CD2 4.33Å; L2819-F2856 HydrophobicContact CD1-CE2 3.95Å | ||
| 2820 | P | 89.8 | Confident | 94.8 | Very high | 104 Ų | 104 | 41.1 Ų | 41.1 | 68% | 0.675 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 131.4 | 179.2 | -22.5 | 32.7 | 0 | 0 | 0 | 112.1 | V2822 | P2820-V2822 PolarHBondContact O-N 2.99Å; P2820-V2822 VanDerWaalsContact O-N 3.12Å |
| 2821 | N | 88 | Confident | 94.7 | Very high | 160.8 Ų | 160.8 | 41.3 Ų | 41.3 | 86% | 0.86 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 17.3 | 177.5 | -51.3 | -45.4 | 0 | 0 | 0 | 115.4 | L2819 | L2819-N2821 PolarHBondContact O-N 3.09Š|
| 2822 | V | 92.5 | Very high | 94.6 | Very high | 14.2 Ų | 14.2 | 38.4 Ų | 38.4 | 9% | 0.086 | 24% | 0.235 | C | C | . | . | trans | -109 | 105.6 | 175.7 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | L2819 P2820 D2851 L2852 R2865 | L2819-V2822 HydrophobicContact CB-CB 3.85Å; L2819-V2822 HydrophobicContact CB-CG1 4.48Å; L2819-V2822 HydrophobicContact CB-CG2 3.8Å; L2819-V2822 HydrophobicContact CD1-CG2 4.47Å; L2819-V2822 PolarHBondContact O-N 2.95Å; P2820-V2822 PolarHBondContact O-N 2.99Å; P2820-V2822 VanDerWaalsContact O-N 3.12Å; V2822-D2851 WeakPolarHBondContact CG2-O 3.29Å; V2822-L2852 HydrophobicContact CG1-CD2 4.33Å; V2822-R2865 VanDerWaalsContact CG1-CZ 3.4Å; V2822-R2865 VanDerWaalsContact CG1-NH1 3.26Å | ||
| 2823 | P | 89.9 | Confident | 94.5 | Very high | 70.4 Ų | 70.4 | 42.1 Ų | 42.1 | 46% | 0.457 | 25% | 0.25 | S | C | . | . | trans | -69.2 | 147.6 | 178.7 | 28 | -33.9 | 0 | 0 | 0 | 110.7 | L2825 R2865 | P2823-L2825 PolarHBondContact O-N 3.17Å; P2823-R2865 VanDerWaalsContact O-CZ 3.31Å; P2823-R2865 PolarHBondContact O-NH1 3.19Å; P2823-R2865 PolarHBondContact O-NH2 3.14Å | ||
| 2824 | K | 92.3 | Very high | 94.4 | Very high | 114 Ų | 114 | 42.5 Ų | 42.5 | 50% | 0.496 | 25% | 0.253 | S | S | . | . | trans | -61.3 | 124.1 | 172.9 | -171.5 | 166.3 | -174.9 | 160.7 | 0 | 110 | D2812 D2817 | D2812-K2824 WeakPolarHBondContact O-CE 3.21Å; D2817-K2824 IonicContact OD2-NZ 3.41Å; D2817-K2824 PolarHBondContact OD2-NZ 3.22Å | ||
| 2825 | L | 95 | Very high | 94.3 | Very high | 39.8 Ų | 39.8 | 46.9 Ų | 46.9 | 21% | 0.208 | 28% | 0.276 | C | S | . | . | trans | -137.2 | 87.9 | -173.8 | -172.8 | 62.1 | 0 | 0 | 0 | 110.9 | P2823 S2828 L2867 P2868 | P2823-L2825 PolarHBondContact O-N 3.17Å; L2825-S2828 VanDerWaalsContact O-CB 3.26Å; L2825-S2828 WeakPolarHBondContact O-CB 3.34Å; L2825-S2828 PolarHBondContact O-N 2.86Å; L2825-S2828 PolarHBondContact O-OG 3.06Å; L2825-L2867 HydrophobicContact CD2-CD2 3.97Å; L2825-P2868 HydrophobicContact CD1-CG 4.15Å; L2825-P2868 HydrophobicContact CD2-CG 4.43Å; L2825-P2868 HydrophobicContact CG-CG 4.07Å | ||
| 2826 | P | 96.6 | Very high | 94.2 | Very high | 73.2 Ų | 73.2 | 46.9 Ų | 46.9 | 48% | 0.475 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 139.6 | 177 | -24.3 | 34.4 | 0 | 0 | 0 | 112.7 | S2828 P2868 | P2826-S2828 VanDerWaalsContact C-N 3.27Å; P2826-S2828 PolarHBondContact O-N 3.04Å; P2826-P2868 VanDerWaalsContact O-CG 3.25Å; P2826-P2868 WeakPolarHBondContact O-CG 3.26Å |
| 2827 | G | 95.8 | Very high | 94.2 | Very high | 20.6 Ų | 20.6 | 47.9 Ų | 47.9 | 21% | 0.212 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | -5.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | R2809 D2810 V2811 P2868 | R2809-G2827 VanDerWaalsContact CD-O 3.28Å; R2809-G2827 WeakPolarHBondContact CD-O 3.28Å; R2809-G2827 PolarHBondContact NH1-O 2.95Å; R2809-G2827 VanDerWaalsContact NH1-O 3.11Å; D2810-G2827 CarbonylContact O-C 3.53Å; D2810-G2827 VanDerWaalsContact O-CA 3.3Å; D2810-G2827 WeakPolarHBondContact O-CA 3.25Å; D2810-G2827 PolarHBondContact O-N 3.01Å; V2811-G2827 PolarHBondContact O-N 3.12Å; G2827-P2868 WeakPolarHBondContact O-CA 3.35Å |
| 2828 | S | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 157.6 | 178.7 | 61.9 | 0 | 0 | 0 | 0 | 112.3 | D2810 L2825 P2826 C2866 | D2810-S2828 PolarHBondContact N-O 2.94Å; D2810-S2828 PolarHBondContact O-N 2.91Å; L2825-S2828 VanDerWaalsContact O-CB 3.26Å; L2825-S2828 WeakPolarHBondContact O-CB 3.34Å; L2825-S2828 PolarHBondContact O-N 2.86Å; L2825-S2828 PolarHBondContact O-OG 3.06Å; P2826-S2828 VanDerWaalsContact C-N 3.27Å; P2826-S2828 PolarHBondContact O-N 3.04Å; S2828-C2866 WeakPolarHBondContact CA-O 3.35Å; S2828-C2866 VanDerWaalsContact CB-O 3.31Å; S2828-C2866 WeakPolarHBondContact CB-O 3.41Å |
| 2829 | L | 97.2 | Very high | 94.2 | Very high | 1.2 Ų | 1.2 | 44.2 Ų | 44.2 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133 | -177.3 | 179.6 | 68.1 | 0 | 0 | 0 | 110.1 | E2783 L2808 R2809 V2831 R2865 C2866 V2870 A2872 | E2783-L2829 HydrophobicContact CG-CD1 4.49Å; L2808-L2829 CarbonylContact O-C 3.46Å; L2808-L2829 WeakPolarHBondContact O-CA 3.25Å; L2808-L2829 WeakPolarHBondContact O-CD1 3.33Å; R2809-L2829 HydrophobicContact CB-CD1 4.47Å; R2809-L2829 VanDerWaalsContact CZ-CD1 3.49Å; L2829-V2831 HydrophobicContact CD1-CG1 4.32Å; L2829-V2831 HydrophobicContact CD2-CG1 3.76Å; L2829-V2831 HydrophobicContact CG-CG1 3.85Å; L2829-R2865 CarbonylContact O-C 3.54Å; L2829-R2865 VanDerWaalsContact O-CA 3.29Å; L2829-R2865 WeakPolarHBondContact O-CA 3.41Å; L2829-C2866 HydrophobicContact CB-CB 4.21Å; L2829-C2866 PolarHBondContact N-O 3.17Å; L2829-C2866 VanDerWaalsContact N-O 3.09Å; L2829-C2866 PolarHBondContact O-N 3.11Å; L2829-V2870 HydrophobicContact CD2-CG1 4.12Å; L2829-A2872 HydrophobicContact CD2-CB 3.66Å |
| 2830 | V | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.9 | 170.8 | -173.8 | 0 | 0 | 0 | 0 | 109.5 | F2800 L2808 L2815 T2816 L2852 F2856 V2864 R2865 | F2800-V2830 HydrophobicContact CE2-CG1 4.17Å; F2800-V2830 HydrophobicContact CZ-CG1 3.95Å; L2808-V2830 HydrophobicContact CB-CB 4.26Å; L2808-V2830 PolarHBondContact N-O 2.96Å; L2808-V2830 PolarHBondContact O-N 3.12Å; L2815-V2830 HydrophobicContact CD2-CG2 4.21Å; T2816-V2830 HydrophobicContact CG2-CG2 3.88Å; V2830-L2852 HydrophobicContact CG1-CD1 3.66Å; V2830-L2852 HydrophobicContact CG2-CD1 4.18Å; V2830-F2856 HydrophobicContact CG1-CD1 3.77Å; V2830-F2856 HydrophobicContact CG1-CE1 4.06Å; V2830-F2856 HydrophobicContact CG1-CG 4.37Å; V2830-V2864 WeakPolarHBondContact CA-O 3.31Å; V2830-R2865 HydrophobicContact CG2-CB 4.49Å; V2830-R2865 HydrophobicContact CG2-CG 4.36Å |
| 2831 | V | 96.4 | Very high | 94.4 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.03 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 164.1 | 178.8 | -65.3 | 0 | 0 | 0 | 0 | 110.7 | S2807 L2829 L2837 G2863 V2864 A2872 | S2807-V2831 WeakPolarHBondContact OG-CG1 3.33Å; L2829-V2831 HydrophobicContact CD1-CG1 4.32Å; L2829-V2831 HydrophobicContact CD2-CG1 3.76Å; L2829-V2831 HydrophobicContact CG-CG1 3.85Å; V2831-L2837 HydrophobicContact CG2-CD1 3.82Å; V2831-L2837 HydrophobicContact CG2-CD2 4.31Å; V2831-G2863 CarbonylContact O-C 3.36Å; V2831-G2863 VanDerWaalsContact O-CA 3.29Å; V2831-G2863 WeakPolarHBondContact O-CA 3.39Å; V2831-V2864 HydrophobicContact CG2-CG2 3.83Å; V2831-V2864 PolarHBondContact N-O 2.99Å; V2831-V2864 WeakPolarHBondContact O-CG2 3.45Å; V2831-V2864 PolarHBondContact O-N 2.93Å; V2831-A2872 HydrophobicContact CG1-CB 4.36Å |
| 2832 | G | 95.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 139.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | F2800 A2834 | F2800-G2832 VanDerWaalsContact CE1-N 3.34Å; G2832-A2834 PolarHBondContact O-N 2.98Å |
| 2833 | K | 94.9 | Very high | 94.8 | Very high | 108.4 Ų | 108.4 | 36.7 Ų | 36.7 | 47% | 0.471 | 21% | 0.207 | S | C | . | . | trans | -60 | 127 | 177.6 | -176.2 | 178.1 | 177.6 | -177.7 | 0 | 110.4 | H2803 P2862 V2864 | H2803-K2833 VanDerWaalsContact CB-O 3.26Å; H2803-K2833 WeakPolarHBondContact CB-O 3.39Å; H2803-K2833 PolarHBondContact ND1-O 2.99Å; K2833-P2862 HydrophobicContact CB-CG 4.07Å; K2833-P2862 WeakPolarHBondContact CB-O 3.23Å; K2833-P2862 HydrophobicContact CD-CG 3.9Å; K2833-P2862 PolarHBondContact N-O 2.84Å; K2833-V2864 HydrophobicContact CB-CG1 3.93Å; K2833-V2864 HydrophobicContact CB-CG2 4.36Å; K2833-V2864 HydrophobicContact CD-CG1 4.39Å; K2833-V2864 HydrophobicContact CG-CG1 4.1Å | ||
| 2834 | A | 94.5 | Very high | 94.9 | Very high | 8.8 Ų | 8.8 | 37.2 Ų | 37.2 | 7% | 0.073 | 21% | 0.211 | C | C | . | . | trans | -131.1 | 151.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | H2803 G2832 H2836 L2837 E2900 | H2803-A2834 HydrophobicContact CB-CB 3.79Å; G2832-A2834 PolarHBondContact O-N 2.98Å; A2834-H2836 VanDerWaalsContact C-N 3.29Å; A2834-H2836 VanDerWaalsContact CB-CE1 3.45Å; A2834-H2836 WeakPolarHBondContact CB-CE1 3.43Å; A2834-H2836 WeakPolarHBondContact CB-ND1 3.4Å; A2834-H2836 WeakPolarHBondContact CB-NE2 3.34Å; A2834-H2836 PolarHBondContact O-N 3.01Å; A2834-L2837 HydrophobicContact CB-CD1 4.34Å; A2834-L2837 HydrophobicContact CB-CG 4.04Å; A2834-L2837 WeakPolarHBondContact O-CB 3.38Å; A2834-L2837 WeakPolarHBondContact O-CG 3.28Å; A2834-L2837 PolarHBondContact O-N 3.19Å; A2834-E2900 HydrophobicContact CB-CG 4.33Å | ||
| 2835 | N | 95.1 | Very high | 94.8 | Very high | 97 Ų | 97 | 35.9 Ų | 35.9 | 52% | 0.519 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -24.9 | -178.9 | -67 | -29.2 | 0 | 0 | 0 | 113 | L2837 G2898 T2899 E2900 | N2835-L2837 VanDerWaalsContact C-N 3.27Å; N2835-L2837 PolarHBondContact O-N 2.94Å; N2835-G2898 CarbonylContact O-C 3.56Å; N2835-G2898 VanDerWaalsContact O-CA 3.23Å; N2835-G2898 WeakPolarHBondContact O-CA 3.27Å; N2835-G2898 PolarHBondContact O-N 2.94Å; N2835-T2899 WeakPolarHBondContact CB-O 3.3Å; N2835-T2899 PolarHBondContact ND2-O 2.88Å; N2835-E2900 HydrophobicContact CB-CB 4.47Å; N2835-E2900 VanDerWaalsContact CB-OE2 3.3Å; N2835-E2900 WeakPolarHBondContact CB-OE2 3.35Å; N2835-E2900 VanDerWaalsContact CG-OE2 3.3Å; N2835-E2900 PolarHBondContact N-OE2 3.02Å; N2835-E2900 PolarHBondContact ND2-OE2 3Å |
| 2836 | H | 95.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 6.9 | 176.1 | 66.3 | -97.3 | 0 | 0 | 0 | 113.8 | A2834 V2892 L2894 G2898 E2900 T2917 T2918 Y2925 | A2834-H2836 VanDerWaalsContact C-N 3.29Å; A2834-H2836 VanDerWaalsContact CB-CE1 3.45Å; A2834-H2836 WeakPolarHBondContact CB-CE1 3.43Å; A2834-H2836 WeakPolarHBondContact CB-ND1 3.4Å; A2834-H2836 WeakPolarHBondContact CB-NE2 3.34Å; A2834-H2836 PolarHBondContact O-N 3.01Å; H2836-V2892 WeakPolarHBondContact CB-O 3.37Å; H2836-V2892 PolarHBondContact ND1-O 2.88Å; H2836-L2894 HydrophobicContact CB-CB 4.39Å; H2836-G2898 WeakPolarHBondContact CA-O 3.38Å; H2836-E2900 HydrophobicContact CB-CB 4.28Å; H2836-E2900 VanDerWaalsContact CE1-CB 3.47Å; H2836-E2900 WeakPolarHBondContact CE1-CB 3.4Å; H2836-E2900 WeakPolarHBondContact ND1-CB 3.26Å; H2836-E2900 WeakPolarHBondContact ND1-CG 3.46Å; H2836-T2917 PolarHBondContact CE1-OG1 3.23Å; H2836-T2918 PolarHBondContact NE2-O 3.16Å; H2836-Y2925 HydrophobicContact CB-CE1 4.24Å; H2836-Y2925 AromaticContact CD2-CE1 3.83Å |
| 2837 | L | 95.4 | Very high | 94.3 | Very high | 20.6 Ų | 20.6 | 35.7 Ų | 35.7 | 11% | 0.108 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -73.2 | 138.5 | 171.9 | -67.4 | 176.2 | 0 | 0 | 0 | 110.5 | V2831 A2834 N2835 A2839 C2842 V2864 V2920 | V2831-L2837 HydrophobicContact CG2-CD1 3.82Å; V2831-L2837 HydrophobicContact CG2-CD2 4.31Å; A2834-L2837 HydrophobicContact CB-CD1 4.34Å; A2834-L2837 HydrophobicContact CB-CG 4.04Å; A2834-L2837 WeakPolarHBondContact O-CB 3.38Å; A2834-L2837 WeakPolarHBondContact O-CG 3.28Å; A2834-L2837 PolarHBondContact O-N 3.19Å; N2835-L2837 VanDerWaalsContact C-N 3.27Å; N2835-L2837 PolarHBondContact O-N 2.94Å; L2837-A2839 PolarHBondContact O-N 3.09Å; L2837-A2839 VanDerWaalsContact O-N 3.15Å; L2837-C2842 HydrophobicContact CB-CB 4.15Å; L2837-V2864 HydrophobicContact CD1-CG2 3.48Å; L2837-V2864 VanDerWaalsContact CD1-CG2 3.45Å; L2837-V2920 HydrophobicContact CD2-CG1 4.13Å; L2837-V2920 HydrophobicContact CD2-CG2 4.09Å |
| 2838 | P | 94.4 | Very high | 94 | Very high | 1.4 Ų | 1.4 | 36.7 Ų | 36.7 | 1% | 0.009 | 23% | 0.228 | C | C | . | . | trans | -67.1 | 111.7 | -179.9 | 24.8 | -32.9 | 0 | 0 | 0 | 111.5 | D2840 K2841 C2842 L2894 V2920 | P2838-D2840 VanDerWaalsContact CB-OD1 3.28Å; P2838-D2840 WeakPolarHBondContact CB-OD1 3.32Å; P2838-D2840 PolarHBondContact O-N 2.96Å; P2838-D2840 VanDerWaalsContact O-N 3.14Å; P2838-K2841 HydrophobicContact CB-CB 4.32Å; P2838-K2841 HydrophobicContact CB-CG 4.48Å; P2838-K2841 HydrophobicContact CG-CB 4.04Å; P2838-K2841 HydrophobicContact CG-CG 4.47Å; P2838-K2841 CarbonylContact O-C 3.57Å; P2838-K2841 PolarHBondContact O-N 3.19Å; P2838-C2842 WeakPolarHBondContact O-CB 3.29Å; P2838-C2842 PolarHBondContact O-N 3.01Å; P2838-L2894 HydrophobicContact CB-CD2 3.91Å; P2838-V2920 HydrophobicContact CG-CB 4.27Å; P2838-V2920 HydrophobicContact CG-CG1 4.13Å; P2838-V2920 HydrophobicContact CG-CG2 4.09Å | ||
| 2839 | A | 92 | Very high | 93.7 | Very high | 63.8 Ų | 63.8 | 36.7 Ų | 36.7 | 53% | 0.527 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -18.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L2837 K2841 S2845 A2846 | L2837-A2839 PolarHBondContact O-N 3.09Å; L2837-A2839 VanDerWaalsContact O-N 3.15Å; A2839-K2841 VanDerWaalsContact C-N 3.34Å; A2839-S2845 PolarHBondContact O-OG 3.04Å; A2839-S2845 VanDerWaalsContact O-OG 3.1Å; A2839-A2846 PolarHBondContact O-N 2.8Å |
| 2840 | D | 93.6 | Very high | 93.4 | Very high | 77.4 Ų | 77.4 | 37.5 Ų | 37.5 | 41% | 0.414 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -17.2 | 173.6 | 67.7 | -52.6 | 0 | 0 | 0 | 113.2 | P2838 R2923 | P2838-D2840 VanDerWaalsContact CB-OD1 3.28Å; P2838-D2840 WeakPolarHBondContact CB-OD1 3.32Å; P2838-D2840 PolarHBondContact O-N 2.96Å; P2838-D2840 VanDerWaalsContact O-N 3.14Å; D2840-R2923 VanDerWaalsContact CG-NH2 3.31Å; D2840-R2923 IonicContact OD1-NH2 3.32Å; D2840-R2923 PolarHBondContact OD1-NH2 3.03Å; D2840-R2923 VanDerWaalsContact OD1-NH2 3.16Å; D2840-R2923 IonicContact OD2-CZ 3.81Å; D2840-R2923 IonicContact OD2-NH2 3.31Å; D2840-R2923 PolarHBondContact OD2-NH2 3Å |
| 2841 | K | 94.9 | Very high | 93.2 | Very high | 54 Ų | 54 | 42.2 Ų | 42.2 | 24% | 0.235 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | -19.8 | -176.8 | -59.9 | -66.4 | -173.8 | 162.8 | 0 | 114.6 | P2838 A2839 A2846 C2866 L2867 D2869 V2870 | P2838-K2841 HydrophobicContact CB-CB 4.32Å; P2838-K2841 HydrophobicContact CB-CG 4.48Å; P2838-K2841 HydrophobicContact CG-CB 4.04Å; P2838-K2841 HydrophobicContact CG-CG 4.47Å; P2838-K2841 CarbonylContact O-C 3.57Å; P2838-K2841 PolarHBondContact O-N 3.19Å; A2839-K2841 VanDerWaalsContact C-N 3.34Å; K2841-A2846 VanDerWaalsContact C-CB 3.43Å; K2841-C2866 CarbonylContact O-C 3.55Å; K2841-C2866 VanDerWaalsContact O-CA 3.27Å; K2841-C2866 WeakPolarHBondContact O-CA 3.31Å; K2841-L2867 HydrophobicContact CD-CD1 3.85Å; K2841-L2867 PolarHBondContact O-N 3.28Å; K2841-D2869 IonicContact NZ-OD1 3.04Å; K2841-D2869 IonicContact NZ-OD2 3.07Å; K2841-D2869 PolarHBondContact NZ-OD2 3.15Å; K2841-V2870 HydrophobicContact CB-CG2 3.63Å; K2841-V2870 HydrophobicContact CG-CG2 4.24Å |
| 2842 | C | 94.7 | Very high | 93.1 | Very high | 7.8 Ų | 7.8 | 42.2 Ų | 42.2 | 5% | 0.053 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -130.8 | 135.6 | -173.1 | -66 | 0 | 0 | 0 | 0 | 112.1 | L2837 P2838 C2866 | L2837-C2842 HydrophobicContact CB-CB 4.15Å; P2838-C2842 WeakPolarHBondContact O-CB 3.29Å; P2838-C2842 PolarHBondContact O-N 3.01Å; C2842-C2866 HydrophobicContact CB-CB 4.09Å; C2842-C2866 WeakPolarHBondContact CB-SG 3.24Å; C2842-C2866 WeakPolarHBondContact SG-CB 3.2Å; C2842-C2866 CovalentContact SG-SG 2.04Å; C2842-C2866 PolarHBondContact SG-SG 2.99Å |
| 2843 | G | 93.4 | Very high | 92.9 | Very high | 4.6 Ų | 4.6 | 44.2 Ų | 44.2 | 5% | 0.047 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 89.1 | 179.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.7 | S2845 A2846 A2849 R2865 | G2843-S2845 PolarHBondContact O-N 2.96Å; G2843-S2845 VanDerWaalsContact O-N 3.11Å; G2843-A2846 WeakPolarHBondContact O-CB 3.41Å; G2843-A2846 PolarHBondContact O-N 3.13Å; G2843-A2849 VanDerWaalsContact O-CB 3.3Å; G2843-A2849 WeakPolarHBondContact O-CB 3.37Å; G2843-R2865 PolarHBondContact N-O 3.04Å |
| 2844 | P | 91.5 | Very high | 92.8 | Very high | 80.6 Ų | 80.6 | 43.5 Ų | 43.5 | 52% | 0.523 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.5 | -170.6 | -25.6 | 34.3 | 0 | 0 | 0 | 115.3 | D2851 | P2844-D2851 HydrophobicContact CB-CB 4.06Å; P2844-D2851 HydrophobicContact CG-CB 3.94Å |
| 2845 | S | 90.6 | Very high | 92.8 | Very high | 87 Ų | 87 | 43.4 Ų | 43.4 | 61% | 0.608 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -20.8 | 177.6 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | A2839 G2843 P2847 | A2839-S2845 PolarHBondContact O-OG 3.04Å; A2839-S2845 VanDerWaalsContact O-OG 3.1Å; G2843-S2845 PolarHBondContact O-N 2.96Å; G2843-S2845 VanDerWaalsContact O-N 3.11Å; S2845-P2847 WeakPolarHBondContact O-CD 3.45Å |
| 2846 | A | 91.7 | Very high | 92.8 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 2% | 0.017 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -76.8 | 125.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | A2839 K2841 G2843 G2848 A2849 | A2839-A2846 PolarHBondContact O-N 2.8Å; K2841-A2846 VanDerWaalsContact C-CB 3.43Å; G2843-A2846 WeakPolarHBondContact O-CB 3.41Å; G2843-A2846 PolarHBondContact O-N 3.13Å; A2846-G2848 PolarHBondContact O-N 3.14Å; A2846-G2848 VanDerWaalsContact O-N 3.12Å; A2846-A2849 HydrophobicContact CB-CB 3.78Å; A2846-A2849 WeakPolarHBondContact O-CB 3.39Å; A2846-A2849 PolarHBondContact O-N 3.06Å |
| 2847 | P | 89.3 | Confident | 92.6 | Very high | 106.6 Ų | 106.6 | 40.4 Ų | 40.4 | 69% | 0.692 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 119.6 | -177.4 | -26.8 | 34.7 | 0 | 0 | 0 | 112.5 | S2845 A2849 L2867 | S2845-P2847 WeakPolarHBondContact O-CD 3.45Å; P2847-A2849 VanDerWaalsContact C-N 3.32Å; P2847-A2849 PolarHBondContact O-N 3.01Å; P2847-L2867 WeakPolarHBondContact O-CD2 3.31Å |
| 2848 | G | 89 | Confident | 92.4 | Very high | 43.4 Ų | 43.4 | 41.8 Ų | 41.8 | 45% | 0.447 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | -13.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A2846 R2865 | A2846-G2848 PolarHBondContact O-N 3.14Å; A2846-G2848 VanDerWaalsContact O-N 3.12Å; G2848-R2865 PolarHBondContact O-NH2 3.14Å |
| 2849 | A | 90.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -36.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G2843 A2846 P2847 R2865 L2867 | G2843-A2849 VanDerWaalsContact O-CB 3.3Å; G2843-A2849 WeakPolarHBondContact O-CB 3.37Å; A2846-A2849 HydrophobicContact CB-CB 3.78Å; A2846-A2849 WeakPolarHBondContact O-CB 3.39Å; A2846-A2849 PolarHBondContact O-N 3.06Å; P2847-A2849 VanDerWaalsContact C-N 3.32Å; P2847-A2849 PolarHBondContact O-N 3.01Å; A2849-R2865 WeakPolarHBondContact CB-O 3.14Å; A2849-R2865 PolarHBondContact O-NE 3.16Å; A2849-R2865 PolarHBondContact O-NH2 3.17Å; A2849-L2867 HydrophobicContact CB-CD2 4.43Å |
| 2850 | G | 91.6 | Very high | 92.3 | Very high | 16.4 Ų | 16.4 | 43.8 Ų | 43.8 | 17% | 0.169 | 31% | 0.307 | C | S | . | . | trans | 68.1 | 168.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2851 | D | 93.4 | Very high | 92.3 | Very high | 98.4 Ų | 98.4 | 41.3 Ų | 41.3 | 53% | 0.526 | 29% | 0.294 | S | S | . | . | trans | -99.4 | 117 | 179.2 | -172.6 | -3.7 | 0 | 0 | 0 | 110.9 | V2822 P2844 G2853 | V2822-D2851 WeakPolarHBondContact CG2-O 3.29Å; P2844-D2851 HydrophobicContact CB-CB 4.06Å; P2844-D2851 HydrophobicContact CG-CB 3.94Å; D2851-G2853 PolarHBondContact O-N 3.08Å; D2851-G2853 PolarHBondContact OD1-N 2.85Å | ||
| 2852 | L | 94.8 | Very high | 92.3 | Very high | 6.6 Ų | 6.6 | 41.6 Ų | 41.6 | 4% | 0.035 | 30% | 0.302 | C | S | . | . | trans | -69.4 | -11.3 | 179.4 | -64.3 | -178 | 0 | 0 | 0 | 113.3 | T2816 L2819 V2822 V2830 A2855 F2856 R2865 | T2816-L2852 HydrophobicContact CG2-CD2 3.8Å; L2819-L2852 HydrophobicContact CD1-CD2 3.99Å; V2822-L2852 HydrophobicContact CG1-CD2 4.33Å; V2830-L2852 HydrophobicContact CG1-CD1 3.66Å; V2830-L2852 HydrophobicContact CG2-CD1 4.18Å; L2852-A2855 PolarHBondContact O-N 3.07Å; L2852-F2856 HydrophobicContact CB-CB 4.43Å; L2852-F2856 HydrophobicContact CB-CD2 3.99Å; L2852-F2856 HydrophobicContact CB-CG 4.47Å; L2852-F2856 HydrophobicContact CD1-CB 4.24Å; L2852-F2856 HydrophobicContact CD1-CD2 3.97Å; L2852-F2856 HydrophobicContact CD1-CE2 4.47Å; L2852-F2856 HydrophobicContact CD1-CG 4.02Å; L2852-F2856 HydrophobicContact CD2-CD2 4.34Å; L2852-F2856 HydrophobicContact CD2-CE2 4.37Å; L2852-F2856 HydrophobicContact CG-CD2 4.34Å; L2852-R2865 HydrophobicContact CD1-CB 4.07Å; L2852-R2865 HydrophobicContact CD2-CB 4.11Å; L2852-R2865 HydrophobicContact CG-CB 4.12Å | ||
| 2853 | G | 91.2 | Very high | 92.4 | Very high | 42.6 Ų | 42.6 | 41.7 Ų | 41.7 | 44% | 0.439 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | 59.1 | -149.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D2851 A2855 | D2851-G2853 PolarHBondContact O-N 3.08Å; D2851-G2853 PolarHBondContact OD1-N 2.85Å; G2853-A2855 PolarHBondContact O-N 3.08Å |
| 2854 | S | 91.8 | Very high | 92.5 | Very high | 93.8 Ų | 93.8 | 42.2 Ų | 42.2 | 66% | 0.656 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -74.2 | -8.6 | 178.6 | 60 | 0 | 0 | 0 | 0 | 113.6 | F2856 G2857 Q2858 | S2854-F2856 PolarHBondContact O-N 3.14Å; S2854-F2856 VanDerWaalsContact O-N 3.16Å; S2854-G2857 PolarHBondContact O-N 3.21Å; S2854-Q2858 PolarHBondContact O-NE2 3.05Å; S2854-Q2858 PolarHBondContact O-OE1 2.8Å |
| 2855 | A | 94.3 | Very high | 92.8 | Very high | 6.8 Ų | 6.8 | 38.4 Ų | 38.4 | 6% | 0.056 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -64.7 | -25.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N2795 R2797 A2798 L2819 L2852 G2853 Q2858 | N2795-A2855 VanDerWaalsContact O-CA 3.28Å; N2795-A2855 WeakPolarHBondContact O-CA 3.41Å; R2797-A2855 WeakPolarHBondContact CA-O 3.32Å; R2797-A2855 VanDerWaalsContact CB-O 3.26Å; R2797-A2855 WeakPolarHBondContact CB-O 3.27Å; R2797-A2855 HydrophobicContact CG-CB 4.27Å; R2797-A2855 PolarHBondContact N-O 2.98Å; A2798-A2855 PolarHBondContact N-O 3.08Å; L2819-A2855 HydrophobicContact CD1-CB 4.1Å; L2819-A2855 HydrophobicContact CD2-CB 3.45Å; L2819-A2855 VanDerWaalsContact CD2-CB 3.45Å; L2819-A2855 HydrophobicContact CG-CB 4.44Å; L2852-A2855 PolarHBondContact O-N 3.07Å; G2853-A2855 PolarHBondContact O-N 3.08Å; A2855-Q2858 PolarHBondContact O-OE1 3.13Å; A2855-Q2858 VanDerWaalsContact O-OE1 3.1Å |
| 2856 | F | 95.4 | Very high | 93.1 | Very high | 0.2 Ų | 0.2 | 34.3 Ų | 34.3 | 0% | 0.001 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -118.4 | 29.3 | 175.7 | -68.3 | -102.4 | 0 | 0 | 0 | 110.5 | R2797 A2798 F2800 L2808 L2815 T2816 L2819 V2830 L2852 S2854 P2862 G2863 | R2797-F2856 HydrophobicContact CB-CD1 4.5Å; R2797-F2856 HydrophobicContact CB-CD2 4.36Å; R2797-F2856 HydrophobicContact CB-CE1 4.19Å; R2797-F2856 HydrophobicContact CB-CE2 4Å; R2797-F2856 HydrophobicContact CB-CZ 3.89Å; R2797-F2856 HydrophobicContact CG-CE2 4.4Å; A2798-F2856 HydrophobicContact CB-CD1 3.53Å; A2798-F2856 HydrophobicContact CB-CE1 3.93Å; A2798-F2856 HydrophobicContact CB-CG 4.45Å; A2798-F2856 CarbonylContact O-C 3.34Å; A2798-F2856 WeakPolarHBondContact O-CA 3.44Å; F2800-F2856 HydrophobicContact CE2-CB 4.39Å; F2800-F2856 HydrophobicContact CE2-CD1 4.28Å; L2808-F2856 HydrophobicContact CD1-CE1 4.24Å; L2815-F2856 HydrophobicContact CD2-CE1 4.47Å; L2815-F2856 HydrophobicContact CG-CE1 4.45Å; L2815-F2856 HydrophobicContact CG-CZ 4.21Å; T2816-F2856 HydrophobicContact CG2-CE2 4.31Å; T2816-F2856 HydrophobicContact CG2-CZ 4.19Å; L2819-F2856 HydrophobicContact CD1-CD2 4.33Å; L2819-F2856 HydrophobicContact CD1-CE2 3.95Å; V2830-F2856 HydrophobicContact CG1-CD1 3.77Å; V2830-F2856 HydrophobicContact CG1-CE1 4.06Å; V2830-F2856 HydrophobicContact CG1-CG 4.37Å; L2852-F2856 HydrophobicContact CB-CB 4.43Å; L2852-F2856 HydrophobicContact CB-CD2 3.99Å; L2852-F2856 HydrophobicContact CB-CG 4.47Å; L2852-F2856 HydrophobicContact CD1-CB 4.24Å; L2852-F2856 HydrophobicContact CD1-CD2 3.97Å; L2852-F2856 HydrophobicContact CD1-CE2 4.47Å; L2852-F2856 HydrophobicContact CD1-CG 4.02Å; L2852-F2856 HydrophobicContact CD2-CD2 4.34Å; L2852-F2856 HydrophobicContact CD2-CE2 4.37Å; L2852-F2856 HydrophobicContact CG-CD2 4.34Å; S2854-F2856 PolarHBondContact O-N 3.14Å; S2854-F2856 VanDerWaalsContact O-N 3.16Å; F2856-P2862 CarbonylContact O-C 3.53Å; F2856-P2862 WeakPolarHBondContact O-CA 3.24Å; F2856-G2863 PolarHBondContact O-N 2.97Å |
| 2857 | G | 91.3 | Very high | 93.3 | Very high | 34 Ų | 34 | 35.6 Ų | 35.6 | 35% | 0.351 | 26% | 0.259 | S | S | . | . | trans | -113.2 | 11.6 | -168 | 0 | 0 | 0 | 0 | 0 | 115.2 | S2854 G2859 | S2854-G2857 PolarHBondContact O-N 3.21Å; G2857-G2859 VanDerWaalsContact C-N 3.29Å; G2857-G2859 PolarHBondContact O-N 2.83Å | ||
| 2858 | Q | 91 | Very high | 93.6 | Very high | 50.2 Ų | 50.2 | 33 Ų | 33 | 24% | 0.235 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -75.8 | -16 | -172.6 | -72.5 | 65.9 | 42.4 | 0 | 0 | 113.8 | T2764 N2796 A2798 E2799 S2854 A2855 | T2764-Q2858 HydrophobicContact CG2-CB 4.2Å; T2764-Q2858 HydrophobicContact CG2-CG 4.11Å; T2764-Q2858 WeakPolarHBondContact OG1-CB 3.48Å; T2764-Q2858 WeakPolarHBondContact OG1-CG 3.45Å; N2796-Q2858 HydrophobicContact CB-CG 3.68Å; N2796-Q2858 PolarHBondContact OD1-NE2 3.31Å; A2798-Q2858 PolarHBondContact O-OE1 3.17Å; A2798-Q2858 VanDerWaalsContact O-OE1 3.06Å; E2799-Q2858 HydrophobicContact CB-CB 3.97Å; E2799-Q2858 HydrophobicContact CG-CB 4.21Å; S2854-Q2858 PolarHBondContact O-NE2 3.05Å; S2854-Q2858 PolarHBondContact O-OE1 2.8Å; A2855-Q2858 PolarHBondContact O-OE1 3.13Å; A2855-Q2858 VanDerWaalsContact O-OE1 3.1Å |
| 2859 | G | 90.9 | Very high | 93.9 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 22% | 0.216 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -96.3 | -172.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F2800 G2857 V2861 | F2800-G2859 CarbonylContact O-C 3.59Å; F2800-G2859 VanDerWaalsContact O-CA 3.28Å; F2800-G2859 WeakPolarHBondContact O-CA 3.37Å; G2857-G2859 VanDerWaalsContact C-N 3.29Å; G2857-G2859 PolarHBondContact O-N 2.83Å; G2859-V2861 PolarHBondContact O-N 3.03Å |
| 2860 | A | 92.7 | Very high | 94.1 | Very high | 86.8 Ų | 86.8 | 35.1 Ų | 35.1 | 72% | 0.717 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -67.1 | -24.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | F2800 R2801 | F2800-A2860 PolarHBondContact O-N 3.21Å; F2800-A2860 VanDerWaalsContact O-N 3.07Å; R2801-A2860 VanDerWaalsContact O-CB 3.3Å; R2801-A2860 WeakPolarHBondContact O-CB 3.3Å |
| 2861 | V | 94.3 | Very high | 94.3 | Very high | 25 Ų | 25 | 34.5 Ų | 34.5 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -126.2 | 143 | 172.8 | -59.3 | 0 | 0 | 0 | 0 | 110.1 | F2800 W2802 H2803 G2859 | F2800-V2861 HydrophobicContact CB-CG2 3.63Å; F2800-V2861 VanDerWaalsContact CB-CG2 3.46Å; F2800-V2861 HydrophobicContact CG-CG2 4.47Å; F2800-V2861 PolarHBondContact O-N 2.87Å; W2802-V2861 VanDerWaalsContact C-CG2 3.44Å; W2802-V2861 WeakPolarHBondContact O-CG2 3.03Å; H2803-V2861 VanDerWaalsContact CE1-CG1 3.5Å; H2803-V2861 WeakPolarHBondContact CE1-CG1 3.48Å; G2859-V2861 PolarHBondContact O-N 3.03Å |
| 2862 | P | 95.7 | Very high | 94.4 | Very high | 60.8 Ų | 60.8 | 30 Ų | 30 | 40% | 0.395 | 21% | 0.212 | S | C | . | . | trans | -72 | 150.6 | 173.1 | 30.5 | -34.2 | 0 | 0 | 0 | 110.7 | K2833 F2856 | K2833-P2862 HydrophobicContact CB-CG 4.07Å; K2833-P2862 WeakPolarHBondContact CB-O 3.23Å; K2833-P2862 HydrophobicContact CD-CG 3.9Å; K2833-P2862 PolarHBondContact N-O 2.84Å; F2856-P2862 CarbonylContact O-C 3.53Å; F2856-P2862 WeakPolarHBondContact O-CA 3.24Å | ||
| 2863 | G | 96.1 | Very high | 94.4 | Very high | 8.8 Ų | 8.8 | 29.6 Ų | 29.6 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 146.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112 | V2831 F2856 | V2831-G2863 CarbonylContact O-C 3.36Å; V2831-G2863 VanDerWaalsContact O-CA 3.29Å; V2831-G2863 WeakPolarHBondContact O-CA 3.39Å; F2856-G2863 PolarHBondContact O-N 2.97Å |
| 2864 | V | 96.1 | Very high | 94.6 | Very high | 15.6 Ų | 15.6 | 27.9 Ų | 27.9 | 10% | 0.095 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 140.5 | 173.5 | -68.8 | 0 | 0 | 0 | 0 | 110.3 | V2830 V2831 K2833 L2837 | V2830-V2864 WeakPolarHBondContact CA-O 3.31Å; V2831-V2864 HydrophobicContact CG2-CG2 3.83Å; V2831-V2864 PolarHBondContact N-O 2.99Å; V2831-V2864 WeakPolarHBondContact O-CG2 3.45Å; V2831-V2864 PolarHBondContact O-N 2.93Å; K2833-V2864 HydrophobicContact CB-CG1 3.93Å; K2833-V2864 HydrophobicContact CB-CG2 4.36Å; K2833-V2864 HydrophobicContact CD-CG1 4.39Å; K2833-V2864 HydrophobicContact CG-CG1 4.1Å; L2837-V2864 HydrophobicContact CD1-CG2 3.48Å; L2837-V2864 VanDerWaalsContact CD1-CG2 3.45Å |
| 2865 | R | 96.7 | Very high | 94.7 | Very high | 0.8 Ų | 0.8 | 23.4 Ų | 23.4 | 0% | 0.003 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 133.6 | 174.5 | -165.4 | 166.1 | 71.8 | 165.5 | 5.1 | 110.2 | T2816 V2822 P2823 L2829 V2830 G2843 G2848 A2849 L2852 | T2816-R2865 PolarHBondContact OG1-NH1 3.15Å; T2816-R2865 VanDerWaalsContact OG1-NH1 3.08Å; V2822-R2865 VanDerWaalsContact CG1-CZ 3.4Å; V2822-R2865 VanDerWaalsContact CG1-NH1 3.26Å; P2823-R2865 VanDerWaalsContact O-CZ 3.31Å; P2823-R2865 PolarHBondContact O-NH1 3.19Å; P2823-R2865 PolarHBondContact O-NH2 3.14Å; L2829-R2865 CarbonylContact O-C 3.54Å; L2829-R2865 VanDerWaalsContact O-CA 3.29Å; L2829-R2865 WeakPolarHBondContact O-CA 3.41Å; V2830-R2865 HydrophobicContact CG2-CB 4.49Å; V2830-R2865 HydrophobicContact CG2-CG 4.36Å; G2843-R2865 PolarHBondContact N-O 3.04Å; G2848-R2865 PolarHBondContact O-NH2 3.14Å; A2849-R2865 WeakPolarHBondContact CB-O 3.14Å; A2849-R2865 PolarHBondContact O-NE 3.16Å; A2849-R2865 PolarHBondContact O-NH2 3.17Å; L2852-R2865 HydrophobicContact CD1-CB 4.07Å; L2852-R2865 HydrophobicContact CD2-CB 4.11Å; L2852-R2865 HydrophobicContact CG-CB 4.12Å |
| 2866 | C | 97 | Very high | 94.6 | Very high | 0.6 Ų | 0.6 | 23.2 Ų | 23.2 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 153.8 | 173.6 | -60.2 | 0 | 0 | 0 | 0 | 110.8 | S2828 L2829 K2841 C2842 V2870 | S2828-C2866 WeakPolarHBondContact CA-O 3.35Å; S2828-C2866 VanDerWaalsContact CB-O 3.31Å; S2828-C2866 WeakPolarHBondContact CB-O 3.41Å; L2829-C2866 HydrophobicContact CB-CB 4.21Å; L2829-C2866 PolarHBondContact N-O 3.17Å; L2829-C2866 VanDerWaalsContact N-O 3.09Å; L2829-C2866 PolarHBondContact O-N 3.11Å; K2841-C2866 CarbonylContact O-C 3.55Å; K2841-C2866 VanDerWaalsContact O-CA 3.27Å; K2841-C2866 WeakPolarHBondContact O-CA 3.31Å; C2842-C2866 HydrophobicContact CB-CB 4.09Å; C2842-C2866 WeakPolarHBondContact CB-SG 3.24Å; C2842-C2866 WeakPolarHBondContact SG-CB 3.2Å; C2842-C2866 CovalentContact SG-SG 2.04Å; C2842-C2866 PolarHBondContact SG-SG 2.99Å; C2866-V2870 HydrophobicContact CB-CB 3.87Å; C2866-V2870 HydrophobicContact CB-CG1 3.83Å; C2866-V2870 HydrophobicContact CB-CG2 4.02Å |
| 2867 | L | 96.8 | Very high | 94.5 | Very high | 28.8 Ų | 28.8 | 23.2 Ų | 23.2 | 15% | 0.151 | 16% | 0.157 | C | C | . | . | trans | -63.5 | 156.7 | 178.3 | -63.1 | -175.5 | 0 | 0 | 0 | 112.6 | L2825 K2841 P2847 A2849 D2869 V2870 | L2825-L2867 HydrophobicContact CD2-CD2 3.97Å; K2841-L2867 HydrophobicContact CD-CD1 3.85Å; K2841-L2867 PolarHBondContact O-N 3.28Å; P2847-L2867 WeakPolarHBondContact O-CD2 3.31Å; A2849-L2867 HydrophobicContact CB-CD2 4.43Å; L2867-D2869 VanDerWaalsContact CB-OD1 3.24Å; L2867-D2869 WeakPolarHBondContact CB-OD1 3.29Å; L2867-D2869 PolarHBondContact O-N 3.31Å; L2867-D2869 VanDerWaalsContact O-N 3.14Å; L2867-V2870 VanDerWaalsContact O-CB 3.3Å; L2867-V2870 WeakPolarHBondContact O-CB 3.41Å; L2867-V2870 PolarHBondContact O-N 2.99Å | ||
| 2868 | P | 95.5 | Very high | 94.4 | Very high | 51.6 Ų | 51.6 | 22.1 Ų | 22.1 | 34% | 0.335 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.2 | -173.3 | -27.2 | 36.6 | 0 | 0 | 0 | 116.1 | R2809 L2825 P2826 G2827 V2870 | R2809-P2868 PolarHBondContact NH1-O 2.92Å; L2825-P2868 HydrophobicContact CD1-CG 4.15Å; L2825-P2868 HydrophobicContact CD2-CG 4.43Å; L2825-P2868 HydrophobicContact CG-CG 4.07Å; P2826-P2868 VanDerWaalsContact O-CG 3.25Å; P2826-P2868 WeakPolarHBondContact O-CG 3.26Å; G2827-P2868 WeakPolarHBondContact O-CA 3.35Å; P2868-V2870 VanDerWaalsContact C-N 3.26Å; P2868-V2870 PolarHBondContact O-N 2.96Å |
| 2869 | D | 94.3 | Very high | 94.1 | Very high | 84.6 Ų | 84.6 | 25 Ų | 25 | 45% | 0.452 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -8.8 | 177 | 61.5 | -37.7 | 0 | 0 | 0 | 113.6 | K2841 L2867 N2921 | K2841-D2869 IonicContact NZ-OD1 3.04Å; K2841-D2869 IonicContact NZ-OD2 3.07Å; K2841-D2869 PolarHBondContact NZ-OD2 3.15Å; L2867-D2869 VanDerWaalsContact CB-OD1 3.24Å; L2867-D2869 WeakPolarHBondContact CB-OD1 3.29Å; L2867-D2869 PolarHBondContact O-N 3.31Å; L2867-D2869 VanDerWaalsContact O-N 3.14Å; D2869-N2921 PolarHBondContact O-ND2 2.84Å; D2869-N2921 VanDerWaalsContact O-ND2 3.11Å; D2869-N2921 PolarHBondContact O-OD1 3.14Å |
| 2870 | V | 95.8 | Very high | 94 | Very high | 3.2 Ų | 3.2 | 24.2 Ų | 24.2 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | trans | -81.1 | 124.1 | 176.1 | 175 | 0 | 0 | 0 | 0 | 111 | R2809 L2829 K2841 C2866 L2867 P2868 V2920 N2921 | R2809-V2870 VanDerWaalsContact CZ-O 3.29Å; R2809-V2870 PolarHBondContact NH1-O 3.15Å; R2809-V2870 PolarHBondContact NH2-O 3.18Å; L2829-V2870 HydrophobicContact CD2-CG1 4.12Å; K2841-V2870 HydrophobicContact CB-CG2 3.63Å; K2841-V2870 HydrophobicContact CG-CG2 4.24Å; C2866-V2870 HydrophobicContact CB-CB 3.87Å; C2866-V2870 HydrophobicContact CB-CG1 3.83Å; C2866-V2870 HydrophobicContact CB-CG2 4.02Å; L2867-V2870 VanDerWaalsContact O-CB 3.3Å; L2867-V2870 WeakPolarHBondContact O-CB 3.41Å; L2867-V2870 PolarHBondContact O-N 2.99Å; P2868-V2870 VanDerWaalsContact C-N 3.26Å; P2868-V2870 PolarHBondContact O-N 2.96Å; V2870-V2920 HydrophobicContact CB-CG1 4.44Å; V2870-V2920 HydrophobicContact CG1-CB 4.34Å; V2870-V2920 HydrophobicContact CG1-CG1 3.72Å; V2870-V2920 HydrophobicContact CG1-CG2 3.86Å; V2870-V2920 HydrophobicContact CG2-CG1 4.36Å; V2870-N2921 WeakPolarHBondContact CA-OD1 3.43Å | ||
| 2871 | T | 95.3 | Very high | 93.5 | Very high | 3.6 Ų | 3.6 | 23.3 Ų | 23.3 | 2% | 0.022 | 13% | 0.132 | C | C | . | . | trans | -107 | 123.3 | 168.2 | -57.1 | 0 | 0 | 0 | 0 | 109.4 | L2873 V2920 N2921 N2946 R2948 D2951 | T2871-L2873 HydrophobicContact CG2-CD2 3.92Å; T2871-L2873 HydrophobicContact CG2-CG 4.29Å; T2871-L2873 PolarHBondContact O-N 3.23Å; T2871-V2920 WeakPolarHBondContact O-CA 3.34Å; T2871-N2921 PolarHBondContact N-OD1 2.93Å; T2871-N2921 PolarHBondContact O-N 3.03Å; T2871-N2921 VanDerWaalsContact O-N 3.13Å; T2871-N2921 PolarHBondContact O-OD1 2.91Å; T2871-N2946 WeakPolarHBondContact CG2-O 3.17Å; T2871-R2948 HydrophobicContact CG2-CG 4.08Å; T2871-R2948 VanDerWaalsContact CG2-NH1 3.34Å; T2871-R2948 WeakPolarHBondContact OG1-CD 3.21Å; T2871-R2948 PolarHBondContact OG1-NH1 2.83Å; T2871-D2951 VanDerWaalsContact CB-OD2 3.26Å; T2871-D2951 WeakPolarHBondContact CB-OD2 3.3Å; T2871-D2951 VanDerWaalsContact CG2-OD2 3.31Å; T2871-D2951 WeakPolarHBondContact CG2-OD2 3.34Å; T2871-D2951 PolarHBondContact OG1-OD2 2.99Å | ||
| 2872 | A | 95.2 | Very high | 92.6 | Very high | 3.8 Ų | 3.8 | 22.7 Ų | 22.7 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 116 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | S2807 L2829 V2831 T2918 L2919 N2946 | S2807-A2872 WeakPolarHBondContact OG-CB 3.4Å; L2829-A2872 HydrophobicContact CD2-CB 3.66Å; V2831-A2872 HydrophobicContact CG1-CB 4.36Å; A2872-T2918 HydrophobicContact CB-CG2 3.41Å; A2872-T2918 VanDerWaalsContact CB-CG2 3.43Å; A2872-L2919 CarbonylContact C-O 3.52Å; A2872-L2919 WeakPolarHBondContact CA-O 3.38Å; A2872-N2946 WeakPolarHBondContact O-CB 3.4Å; A2872-N2946 PolarHBondContact O-ND2 2.94Å |
| 2873 | L | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 118 | 175.5 | -58.4 | 176 | 0 | 0 | 0 | 109.1 | T2871 Y2875 T2918 L2919 N2921 L2944 E2945 N2946 F2947 V2953 | T2871-L2873 HydrophobicContact CG2-CD2 3.92Å; T2871-L2873 HydrophobicContact CG2-CG 4.29Å; T2871-L2873 PolarHBondContact O-N 3.23Å; L2873-Y2875 PolarHBondContact O-N 3.03Å; L2873-T2918 CarbonylContact O-C 3.39Å; L2873-T2918 WeakPolarHBondContact O-CA 3.36Å; L2873-L2919 HydrophobicContact CB-CB 4.33Å; L2873-L2919 PolarHBondContact N-O 2.93Å; L2873-L2919 PolarHBondContact O-N 3.13Å; L2873-N2921 HydrophobicContact CD1-CB 4.4Å; L2873-L2944 HydrophobicContact CB-CD2 4.48Å; L2873-E2945 CarbonylContact C-O 3.54Å; L2873-E2945 VanDerWaalsContact CA-O 3.24Å; L2873-E2945 WeakPolarHBondContact CA-O 3.33Å; L2873-E2945 WeakPolarHBondContact CD2-O 3.36Å; L2873-N2946 WeakPolarHBondContact CD2-O 3.43Å; L2873-F2947 HydrophobicContact CD1-CD1 4.29Å; L2873-F2947 HydrophobicContact CD1-CE1 3.81Å; L2873-F2947 HydrophobicContact CD1-CZ 4.08Å; L2873-F2947 HydrophobicContact CD2-CB 4.47Å; L2873-F2947 HydrophobicContact CD2-CD1 4Å; L2873-F2947 HydrophobicContact CD2-CD2 4.21Å; L2873-F2947 HydrophobicContact CD2-CE1 4.24Å; L2873-F2947 HydrophobicContact CD2-CE2 4.42Å; L2873-F2947 HydrophobicContact CD2-CG 3.98Å; L2873-F2947 HydrophobicContact CD2-CZ 4.42Å; L2873-V2953 HydrophobicContact CD1-CB 4.07Å; L2873-V2953 HydrophobicContact CD1-CG1 4.29Å |
| 2874 | R | 94.2 | Very high | 90.6 | Very high | 5.2 Ų | 5.2 | 25.6 Ų | 25.6 | 2% | 0.02 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 122.1 | 176.2 | -173.7 | 179 | 172.5 | -80.3 | -5.8 | 108.9 | G2780 G2781 S2876 T2910 D2911 M2916 L2944 E2945 | G2780-R2874 WeakPolarHBondContact O-CD 3.27Å; G2780-R2874 PolarHBondContact O-NE 3.2Å; G2781-R2874 WeakPolarHBondContact O-CB 3.4Å; R2874-S2876 PolarHBondContact NH1-OG 2.8Å; R2874-T2910 VanDerWaalsContact CZ-OG1 3.28Å; R2874-T2910 PolarHBondContact NH1-OG1 3.04Å; R2874-T2910 PolarHBondContact NH2-OG1 2.94Å; R2874-T2910 VanDerWaalsContact NH2-OG1 3.12Å; R2874-D2911 IonicContact CZ-OD1 3.83Å; R2874-D2911 IonicContact NH1-OD1 2.66Å; R2874-D2911 IonicContact NH2-OD1 2.65Å; R2874-D2911 PolarHBondContact NH2-OD1 3Å; R2874-D2911 VanDerWaalsContact NH2-OD1 3.16Å; R2874-D2911 IonicContact NH2-OD2 3.96Å; R2874-M2916 HydrophobicContact CG-CG 4.3Å; R2874-M2916 HydrophobicContact CG-SD 4.11Å; R2874-L2944 VanDerWaalsContact O-CA 3.29Å; R2874-L2944 WeakPolarHBondContact O-CA 3.22Å; R2874-E2945 HydrophobicContact CB-CB 4.23Å; R2874-E2945 HydrophobicContact CB-CG 4.48Å; R2874-E2945 WeakPolarHBondContact CD-OE2 3.33Å; R2874-E2945 IonicContact CZ-OE2 3.17Å; R2874-E2945 PolarHBondContact N-O 3.26Å; R2874-E2945 VanDerWaalsContact N-O 3.13Å; R2874-E2945 IonicContact NE-OE2 3.44Å; R2874-E2945 IonicContact NH1-OE2 3.46Å; R2874-E2945 PolarHBondContact NH1-OE2 2.97Å; R2874-E2945 PolarHBondContact O-N 3.25Å |
| 2875 | Y | 94.5 | Very high | 89.9 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 116.6 | 178.7 | 179.2 | -132.6 | 0 | 0 | 0 | 110.6 | L2873 V2877 M2890 M2916 T2917 L2919 V2927 Y2940 Y2943 L2944 L3020 | L2873-Y2875 PolarHBondContact O-N 3.03Å; Y2875-V2877 HydrophobicContact CD1-CG2 4.44Å; Y2875-V2877 HydrophobicContact CD2-CG2 4.45Å; Y2875-V2877 HydrophobicContact CE1-CG2 3.78Å; Y2875-V2877 HydrophobicContact CE2-CG2 3.71Å; Y2875-V2877 VanDerWaalsContact OH-CG2 3.27Å; Y2875-V2877 WeakPolarHBondContact OH-CG2 3.37Å; Y2875-M2890 HydrophobicContact CD1-CE 4.46Å; Y2875-M2890 HydrophobicContact CE1-CE 4.24Å; Y2875-M2890 HydrophobicContact CE1-SD 4.45Å; Y2875-M2916 CarbonylContact O-C 3.52Å; Y2875-M2916 VanDerWaalsContact O-CA 3.25Å; Y2875-M2916 WeakPolarHBondContact O-CA 3.26Å; Y2875-M2916 WeakPolarHBondContact O-CG 3.43Å; Y2875-T2917 HydrophobicContact CD1-CG2 4.28Å; Y2875-T2917 PolarHBondContact N-O 3.03Å; Y2875-T2917 PolarHBondContact O-N 3.07Å; Y2875-T2917 VanDerWaalsContact O-O 3.11Å; Y2875-L2919 HydrophobicContact CD1-CD1 3.97Å; Y2875-L2919 HydrophobicContact CD1-CD2 4.42Å; Y2875-L2919 HydrophobicContact CD1-CG 4.35Å; Y2875-L2919 HydrophobicContact CG-CD1 3.88Å; Y2875-L2919 HydrophobicContact CG-CG 4.32Å; Y2875-V2927 HydrophobicContact CE1-CG1 4.11Å; Y2875-V2927 HydrophobicContact CE1-CG2 4.02Å; Y2875-Y2940 PolarHBondContact OH-OH 3.04Å; Y2875-Y2940 VanDerWaalsContact OH-OH 3.13Å; Y2875-Y2943 CarbonylContact C-O 3.53Å; Y2875-Y2943 WeakPolarHBondContact CA-O 3.29Å; Y2875-L2944 HydrophobicContact CD2-CD1 4.37Å; Y2875-L2944 HydrophobicContact CD2-CD2 3.6Å; Y2875-L2944 VanDerWaalsContact CD2-CD2 3.44Å; Y2875-L2944 HydrophobicContact CD2-CG 3.69Å; Y2875-L2944 HydrophobicContact CE2-CD1 4.46Å; Y2875-L2944 HydrophobicContact CE2-CD2 4.36Å; Y2875-L2944 HydrophobicContact CE2-CG 4.3Å; Y2875-L2944 HydrophobicContact CG-CD2 3.85Å; Y2875-L3020 HydrophobicContact CD2-CD1 4.33Å; Y2875-L3020 HydrophobicContact CE2-CD1 3.9Å |
| 2876 | S | 92.7 | Very high | 89.2 | Confident | 1.6 Ų | 1.6 | 26.8 Ų | 26.8 | 1% | 0.011 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 146.4 | 173.3 | 64.2 | 0 | 0 | 0 | 0 | 112.1 | R2874 T2910 D2911 W2915 G2942 Y2943 | R2874-S2876 PolarHBondContact NH1-OG 2.8Å; S2876-T2910 PolarHBondContact OG-OG1 3.08Å; S2876-D2911 WeakPolarHBondContact CB-OD1 3.43Å; S2876-D2911 WeakPolarHBondContact CB-OD2 3.24Å; S2876-D2911 PolarHBondContact OG-OD1 2.91Å; S2876-D2911 PolarHBondContact OG-OD2 3.14Å; S2876-D2911 VanDerWaalsContact OG-OD2 3.08Å; S2876-W2915 CarbonylContact C-O 3.55Å; S2876-W2915 VanDerWaalsContact CA-O 3.28Å; S2876-W2915 WeakPolarHBondContact CA-O 3.41Å; S2876-W2915 WeakPolarHBondContact CB-O 3.39Å; S2876-G2942 CarbonylContact O-C 3.51Å; S2876-G2942 WeakPolarHBondContact O-CA 3.25Å; S2876-Y2943 PolarHBondContact N-O 3.04Å; S2876-Y2943 PolarHBondContact O-N 3.02Å; S2876-Y2943 WeakPolarHBondContact OG-CB 3.44Å; S2876-Y2943 PolarHBondContact OG-N 3.15Å; S2876-Y2943 PolarHBondContact OG-O 2.98Å |
| 2877 | V | 93.3 | Very high | 88.3 | Confident | 0.6 Ų | 0.6 | 28 Ų | 28 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 134 | 179.9 | 178.9 | 0 | 0 | 0 | 0 | 109 | Y2875 M2890 G2914 W2915 W2929 Y2940 I2941 | Y2875-V2877 HydrophobicContact CD1-CG2 4.44Å; Y2875-V2877 HydrophobicContact CD2-CG2 4.45Å; Y2875-V2877 HydrophobicContact CE1-CG2 3.78Å; Y2875-V2877 HydrophobicContact CE2-CG2 3.71Å; Y2875-V2877 VanDerWaalsContact OH-CG2 3.27Å; Y2875-V2877 WeakPolarHBondContact OH-CG2 3.37Å; V2877-M2890 HydrophobicContact CB-SD 4.45Å; V2877-M2890 HydrophobicContact CG2-SD 4.14Å; V2877-G2914 CarbonylContact O-C 3.54Å; V2877-G2914 VanDerWaalsContact O-CA 3.25Å; V2877-G2914 WeakPolarHBondContact O-CA 3.39Å; V2877-W2915 HydrophobicContact CB-CE3 4.14Å; V2877-W2915 HydrophobicContact CG1-CE3 4.02Å; V2877-W2915 HydrophobicContact CG1-CZ3 4.34Å; V2877-W2915 PolarHBondContact N-O 2.91Å; V2877-W2915 PolarHBondContact O-N 3.16Å; V2877-W2929 HydrophobicContact CG1-CZ2 4.19Å; V2877-Y2940 HydrophobicContact CB-CD2 4.45Å; V2877-Y2940 HydrophobicContact CG1-CD1 4.39Å; V2877-Y2940 HydrophobicContact CG1-CD2 3.64Å; V2877-Y2940 HydrophobicContact CG1-CE2 4.26Å; V2877-Y2940 HydrophobicContact CG1-CG 3.71Å; V2877-Y2940 HydrophobicContact CG2-CD2 4.27Å; V2877-Y2940 HydrophobicContact CG2-CE2 4.14Å; V2877-I2941 CarbonylContact C-O 3.51Å; V2877-I2941 WeakPolarHBondContact CA-O 3.37Å |
| 2878 | D | 89.1 | Confident | 87.8 | Confident | 11.6 Ų | 11.6 | 27.2 Ų | 27.2 | 6% | 0.062 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 165.7 | 178.6 | -171.8 | 1 | 0 | 0 | 0 | 109.5 | A2880 D2911 K2912 Q2913 Y2940 I2941 | D2878-A2880 VanDerWaalsContact C-N 3.29Å; D2878-A2880 PolarHBondContact O-N 3Å; D2878-A2880 VanDerWaalsContact O-N 3.11Å; D2878-D2911 HydrophobicContact CB-CB 3.61Å; D2878-D2911 VanDerWaalsContact CB-CB 3.44Å; D2878-D2911 WeakPolarHBondContact CB-OD1 3.44Å; D2878-D2911 VanDerWaalsContact CG-CB 3.49Å; D2878-D2911 VanDerWaalsContact OD2-C 3.25Å; D2878-D2911 VanDerWaalsContact OD2-CA 3.24Å; D2878-D2911 WeakPolarHBondContact OD2-CA 3.26Å; D2878-D2911 WeakPolarHBondContact OD2-CB 3.26Å; D2878-K2912 PolarHBondContact OD2-N 3.22Å; D2878-Q2913 WeakPolarHBondContact CA-O 3.43Å; D2878-Q2913 VanDerWaalsContact CB-O 3.26Å; D2878-Q2913 WeakPolarHBondContact CB-O 3.28Å; D2878-Q2913 PolarHBondContact OD1-N 3.2Å; D2878-Q2913 PolarHBondContact OD2-N 3.24Å; D2878-Y2940 WeakPolarHBondContact O-CB 3.32Å; D2878-I2941 HydrophobicContact CB-CG1 4.06Å; D2878-I2941 PolarHBondContact N-O 2.92Å; D2878-I2941 WeakPolarHBondContact O-CG1 3.42Å; D2878-I2941 PolarHBondContact O-N 3.33Å |
| 2879 | Q | 85.3 | Confident | 87.6 | Confident | 110.2 Ų | 110.2 | 27 Ų | 27 | 52% | 0.515 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.3 | 39.2 | 174.8 | -50.8 | -174.9 | 25.4 | 0 | 0 | 112.9 | M2886 I2941 | Q2879-M2886 VanDerWaalsContact CA-CE 3.41Å; Q2879-I2941 HydrophobicContact CB-CB 4.48Å; Q2879-I2941 HydrophobicContact CB-CD1 4.4Å; Q2879-I2941 HydrophobicContact CB-CG1 4.27Å; Q2879-I2941 VanDerWaalsContact CD-CD1 3.43Å; Q2879-I2941 HydrophobicContact CG-CD1 4.17Å; Q2879-I2941 HydrophobicContact CG-CG1 4.02Å |
| 2880 | A | 87.4 | Confident | 87.6 | Confident | 5.4 Ų | 5.4 | 22.9 Ų | 22.9 | 5% | 0.045 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 135.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D2878 L2885 M2886 W2915 S2939 | D2878-A2880 VanDerWaalsContact C-N 3.29Å; D2878-A2880 PolarHBondContact O-N 3Å; D2878-A2880 VanDerWaalsContact O-N 3.11Å; A2880-L2885 HydrophobicContact CB-CB 4.27Å; A2880-L2885 HydrophobicContact CB-CD1 4.11Å; A2880-M2886 HydrophobicContact CB-SD 4.21Å; A2880-M2886 VanDerWaalsContact N-CE 3.32Å; A2880-W2915 HydrophobicContact CB-CH2 4.27Å; A2880-W2915 HydrophobicContact CB-CZ3 3.87Å; A2880-S2939 CarbonylContact C-O 3.56Å; A2880-S2939 VanDerWaalsContact CA-O 3.31Å; A2880-S2939 WeakPolarHBondContact CA-O 3.31Å |
| 2881 | N | 82 | Confident | 87.6 | Confident | 67.4 Ų | 67.4 | 24 Ų | 24 | 36% | 0.36 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.2 | 174.3 | -167.8 | 29.9 | 0 | 0 | 0 | 108 | S2883 L2938 S2939 | N2881-S2883 PolarHBondContact OD1-N 3.4Å; N2881-L2938 WeakPolarHBondContact O-CA 3.2Å; N2881-L2938 WeakPolarHBondContact O-CD1 3.3Å; N2881-S2939 VanDerWaalsContact CB-OG 3.28Å; N2881-S2939 WeakPolarHBondContact CB-OG 3.32Å; N2881-S2939 PolarHBondContact N-O 2.96Å; N2881-S2939 PolarHBondContact O-N 3.09Å; N2881-S2939 VanDerWaalsContact O-N 3.12Å |
| 2882 | P | 77.1 | Confident | 87.6 | Confident | 12.2 Ų | 12.2 | 23.8 Ų | 23.8 | 8% | 0.079 | 14% | 0.14 | C | C | . | . | S | Bend | cis | -65 | 144.6 | 9.9 | 28.1 | -35.9 | 0 | 0 | 0 | 114.1 | V2884 L2885 F2935 T3326 | P2882-V2884 HydrophobicContact CB-CG1 3.98Å; P2882-V2884 HydrophobicContact CG-CG1 3.94Å; P2882-V2884 PolarHBondContact O-N 3.11Å; P2882-V2884 VanDerWaalsContact O-N 3.08Å; P2882-L2885 HydrophobicContact CG-CD1 4.41Å; P2882-L2885 HydrophobicContact CG-CG 4.13Å; P2882-L2885 WeakPolarHBondContact O-CB 3.36Å; P2882-L2885 VanDerWaalsContact O-CG 3.25Å; P2882-L2885 WeakPolarHBondContact O-CG 3.33Å; P2882-L2885 PolarHBondContact O-N 2.98Å; P2882-L2885 VanDerWaalsContact O-N 3.08Å; P2882-F2935 HydrophobicContact CG-CD1 4.4Å; P2882-F2935 HydrophobicContact CG-CE1 4.39Å; P2882-T3326 HydrophobicContact CB-CG2 4.07Å |
| 2883 | S | 74.2 | Confident | 87.7 | Confident | 66.6 Ų | 66.6 | 24.6 Ų | 24.6 | 47% | 0.466 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -60.5 | -19.3 | -177.9 | 55.2 | 0 | 0 | 0 | 0 | 114 | N2881 L2885 M2886 | N2881-S2883 PolarHBondContact OD1-N 3.4Å; S2883-L2885 PolarHBondContact O-N 3.06Å; S2883-L2885 VanDerWaalsContact O-N 3.16Å; S2883-M2886 VanDerWaalsContact O-CB 3.29Å; S2883-M2886 WeakPolarHBondContact O-CB 3.41Å; S2883-M2886 WeakPolarHBondContact O-CG 3.5Å; S2883-M2886 PolarHBondContact O-N 3.15Å |
| 2884 | V | 74.9 | Confident | 87.8 | Confident | 63.8 Ų | 63.8 | 24.8 Ų | 24.8 | 39% | 0.387 | 15% | 0.147 | S | C | . | . | G | 310 helix | trans | -59.1 | -21.2 | 172.9 | 74 | 0 | 0 | 0 | 0 | 113.3 | P2882 M2886 A2931 | P2882-V2884 HydrophobicContact CB-CG1 3.98Å; P2882-V2884 HydrophobicContact CG-CG1 3.94Å; P2882-V2884 PolarHBondContact O-N 3.11Å; P2882-V2884 VanDerWaalsContact O-N 3.08Å; V2884-M2886 VanDerWaalsContact C-N 3.3Å; V2884-A2931 WeakPolarHBondContact O-CB 3.38Å |
| 2885 | L | 82.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -68.6 | -32.5 | 174 | -59 | -177.4 | 0 | 0 | 0 | 111.7 | A2880 P2882 S2883 G2887 S2888 W2915 W2929 A2931 R2932 F2935 L2938 | A2880-L2885 HydrophobicContact CB-CB 4.27Å; A2880-L2885 HydrophobicContact CB-CD1 4.11Å; P2882-L2885 HydrophobicContact CG-CD1 4.41Å; P2882-L2885 HydrophobicContact CG-CG 4.13Å; P2882-L2885 WeakPolarHBondContact O-CB 3.36Å; P2882-L2885 VanDerWaalsContact O-CG 3.25Å; P2882-L2885 WeakPolarHBondContact O-CG 3.33Å; P2882-L2885 PolarHBondContact O-N 2.98Å; P2882-L2885 VanDerWaalsContact O-N 3.08Å; S2883-L2885 PolarHBondContact O-N 3.06Å; S2883-L2885 VanDerWaalsContact O-N 3.16Å; L2885-G2887 PolarHBondContact O-N 2.98Å; L2885-S2888 VanDerWaalsContact O-CB 3.28Å; L2885-S2888 WeakPolarHBondContact O-CB 3.49Å; L2885-S2888 PolarHBondContact O-N 3.09Å; L2885-S2888 VanDerWaalsContact O-N 3.1Å; L2885-S2888 PolarHBondContact O-OG 2.87Å; L2885-S2888 VanDerWaalsContact O-OG 3.14Å; L2885-W2915 HydrophobicContact CB-CH2 4.27Å; L2885-W2915 VanDerWaalsContact O-CH2 3.27Å; L2885-W2915 WeakPolarHBondContact O-CH2 3.35Å; L2885-W2915 WeakPolarHBondContact O-CZ2 3.31Å; L2885-W2929 HydrophobicContact CB-CD2 4.5Å; L2885-W2929 HydrophobicContact CB-CG 4.31Å; L2885-W2929 HydrophobicContact CD1-CD2 3.89Å; L2885-W2929 HydrophobicContact CD1-CE3 3.94Å; L2885-W2929 HydrophobicContact CD1-CG 4.36Å; L2885-W2929 HydrophobicContact CD1-CH2 4.44Å; L2885-W2929 HydrophobicContact CD1-CZ2 4.39Å; L2885-W2929 HydrophobicContact CD1-CZ3 4.26Å; L2885-W2929 HydrophobicContact CD2-CB 3.68Å; L2885-W2929 HydrophobicContact CD2-CD2 4.14Å; L2885-W2929 HydrophobicContact CD2-CE3 4.4Å; L2885-W2929 HydrophobicContact CD2-CG 3.83Å; L2885-W2929 HydrophobicContact CG-CD2 4.39Å; L2885-W2929 HydrophobicContact CG-CG 4.38Å; L2885-A2931 HydrophobicContact CD2-CB 4.48Å; L2885-R2932 HydrophobicContact CD2-CB 3.88Å; L2885-F2935 HydrophobicContact CD1-CE1 3.96Å; L2885-F2935 HydrophobicContact CD1-CZ 4.47Å; L2885-F2935 HydrophobicContact CD2-CE1 3.99Å; L2885-F2935 HydrophobicContact CD2-CZ 4.26Å; L2885-F2935 HydrophobicContact CG-CE1 4.45Å; L2885-L2938 HydrophobicContact CD1-CD1 3.95Å |
| 2886 | M | 80.5 | Confident | 87.2 | Confident | 42.6 Ų | 42.6 | 35.6 Ų | 35.6 | 21% | 0.21 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | 123.1 | -177.1 | -60.7 | -69.1 | -89.9 | 0 | 0 | 109.7 | Q2879 A2880 S2883 V2884 F2904 Q2913 W2915 | Q2879-M2886 VanDerWaalsContact CA-CE 3.41Å; A2880-M2886 HydrophobicContact CB-SD 4.21Å; A2880-M2886 VanDerWaalsContact N-CE 3.32Å; S2883-M2886 VanDerWaalsContact O-CB 3.29Å; S2883-M2886 WeakPolarHBondContact O-CB 3.41Å; S2883-M2886 WeakPolarHBondContact O-CG 3.5Å; S2883-M2886 PolarHBondContact O-N 3.15Å; V2884-M2886 VanDerWaalsContact C-N 3.3Å; M2886-F2904 HydrophobicContact CB-CE2 4.28Å; M2886-F2904 HydrophobicContact CB-CZ 4.29Å; M2886-F2904 HydrophobicContact CE-CE2 3.79Å; M2886-F2904 HydrophobicContact CE-CZ 3.91Å; M2886-F2904 HydrophobicContact SD-CE2 3.92Å; M2886-F2904 VanDerWaalsContact SD-CE2 3.59Å; M2886-F2904 HydrophobicContact SD-CZ 4.11Å; M2886-Q2913 HydrophobicContact CE-CB 3.88Å; M2886-Q2913 WeakPolarHBondContact CE-O 3.34Å; M2886-W2915 HydrophobicContact SD-CH2 4.19Å; M2886-W2915 HydrophobicContact SD-CZ3 4.28Å |
| 2887 | G | 79.6 | Confident | 87 | Confident | 25.2 Ų | 25.2 | 37.6 Ų | 37.6 | 26% | 0.26 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.3 | -15 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L2885 F2904 N3411 N3413 | L2885-G2887 PolarHBondContact O-N 2.98Å; G2887-F2904 VanDerWaalsContact N-CD2 3.3Å; G2887-N3411 PolarHBondContact O-OD1 3.07Å; G2887-N3413 VanDerWaalsContact CA-OD1 3.3Å; G2887-N3413 WeakPolarHBondContact CA-OD1 3.16Å |
| 2888 | S | 85.2 | Confident | 87.1 | Confident | 13 Ų | 13 | 39.1 Ų | 39.1 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -83.8 | 161.5 | 173.8 | 91.5 | 0 | 0 | 0 | 0 | 112.4 | L2885 F2904 W2915 D2930 A2931 | L2885-S2888 VanDerWaalsContact O-CB 3.28Å; L2885-S2888 WeakPolarHBondContact O-CB 3.49Å; L2885-S2888 PolarHBondContact O-N 3.09Å; L2885-S2888 VanDerWaalsContact O-N 3.1Å; L2885-S2888 PolarHBondContact O-OG 2.87Å; L2885-S2888 VanDerWaalsContact O-OG 3.14Å; S2888-F2904 WeakPolarHBondContact O-CB 3.49Å; S2888-W2915 VanDerWaalsContact O-CE2 3.3Å; S2888-W2915 VanDerWaalsContact O-CZ2 3.26Å; S2888-W2915 WeakPolarHBondContact O-CZ2 3.32Å; S2888-W2915 PolarHBondContact O-NE1 3.03Å; S2888-D2930 PolarHBondContact OG-N 2.91Å; S2888-A2931 WeakPolarHBondContact OG-CB 3.29Å; S2888-A2931 PolarHBondContact OG-N 2.74Å |
| 2889 | N | 91.1 | Very high | 87.4 | Confident | 45.8 Ų | 45.8 | 41.9 Ų | 41.9 | 25% | 0.245 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 145.6 | 168 | -68.1 | -10.5 | 0 | 0 | 0 | 110.2 | E2901 P2903 W2929 D2930 | N2889-E2901 PolarHBondContact ND2-OE2 3.14Å; N2889-P2903 WeakPolarHBondContact OD1-CA 3.37Å; N2889-W2929 WeakPolarHBondContact O-CA 3.36Å; N2889-D2930 WeakPolarHBondContact CB-OD2 3.25Å; N2889-D2930 PolarHBondContact O-N 3.05Å; N2889-D2930 VanDerWaalsContact O-N 3.13Å |
| 2890 | M | 94.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 128.5 | 170.2 | 177.8 | 179.8 | 74.3 | 0 | 0 | 107.9 | Y2875 V2877 V2892 V2902 W2915 V2927 N2928 W2929 | Y2875-M2890 HydrophobicContact CD1-CE 4.46Å; Y2875-M2890 HydrophobicContact CE1-CE 4.24Å; Y2875-M2890 HydrophobicContact CE1-SD 4.45Å; V2877-M2890 HydrophobicContact CB-SD 4.45Å; V2877-M2890 HydrophobicContact CG2-SD 4.14Å; M2890-V2892 HydrophobicContact CE-CG2 3.73Å; M2890-V2892 HydrophobicContact CG-CG2 4.33Å; M2890-V2902 HydrophobicContact CB-CB 4.3Å; M2890-V2902 HydrophobicContact CE-CB 3.94Å; M2890-V2902 HydrophobicContact CE-CG1 3.96Å; M2890-V2902 HydrophobicContact CE-CG2 4.11Å; M2890-V2902 PolarHBondContact N-O 3.06Å; M2890-V2902 WeakPolarHBondContact O-CA 3.26Å; M2890-V2902 WeakPolarHBondContact O-CB 3.39Å; M2890-V2902 PolarHBondContact O-N 3Å; M2890-W2915 HydrophobicContact CB-CB 4.29Å; M2890-W2915 VanDerWaalsContact CB-CD1 3.46Å; M2890-W2915 HydrophobicContact CB-CD2 4.02Å; M2890-W2915 HydrophobicContact CB-CG 3.66Å; M2890-W2915 HydrophobicContact CE-CB 3.53Å; M2890-W2915 HydrophobicContact CE-CG 4.18Å; M2890-W2915 HydrophobicContact CG-CG 4.48Å; M2890-W2915 HydrophobicContact SD-CB 3.97Å; M2890-W2915 HydrophobicContact SD-CD2 4.44Å; M2890-W2915 HydrophobicContact SD-CG 4.14Å; M2890-V2927 HydrophobicContact CG-CG1 3.81Å; M2890-V2927 HydrophobicContact SD-CG1 3.57Å; M2890-V2927 VanDerWaalsContact SD-CG1 3.57Å; M2890-N2928 CarbonylContact C-O 3.46Å; M2890-N2928 VanDerWaalsContact CA-O 3.28Å; M2890-N2928 WeakPolarHBondContact CA-O 3.27Å; M2890-N2928 VanDerWaalsContact CG-O 3.3Å; M2890-N2928 WeakPolarHBondContact CG-O 3.22Å; M2890-W2929 HydrophobicContact SD-CZ2 4.34Å |
| 2891 | T | 95.5 | Very high | 88.2 | Confident | 24.4 Ų | 24.4 | 42.8 Ų | 42.8 | 15% | 0.15 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 126.8 | 176 | 54.7 | 0 | 0 | 0 | 0 | 109.7 | T2899 E2901 V2927 N2928 D2930 | T2891-T2899 HydrophobicContact CG2-CG2 4.43Å; T2891-E2901 HydrophobicContact CG2-CG 4.46Å; T2891-V2927 CarbonylContact O-C 3.59Å; T2891-V2927 VanDerWaalsContact O-CA 3.3Å; T2891-V2927 WeakPolarHBondContact O-CA 3.31Å; T2891-N2928 PolarHBondContact N-O 3.14Å; T2891-N2928 PolarHBondContact O-N 3.27Å; T2891-N2928 PolarHBondContact OG1-O 2.9Å; T2891-D2930 VanDerWaalsContact CG2-OD1 3.22Å; T2891-D2930 WeakPolarHBondContact CG2-OD1 3.39Å |
| 2892 | V | 96.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 110.2 | 176.1 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | H2836 M2890 T2899 E2900 V2902 T2917 L2919 Y2925 I2926 V2927 | H2836-V2892 WeakPolarHBondContact CB-O 3.37Å; H2836-V2892 PolarHBondContact ND1-O 2.88Å; M2890-V2892 HydrophobicContact CE-CG2 3.73Å; M2890-V2892 HydrophobicContact CG-CG2 4.33Å; V2892-T2899 WeakPolarHBondContact O-CA 3.38Å; V2892-E2900 PolarHBondContact N-O 3.1Å; V2892-E2900 PolarHBondContact O-N 3.06Å; V2892-V2902 HydrophobicContact CB-CG2 4.27Å; V2892-V2902 HydrophobicContact CG2-CG2 3.7Å; V2892-T2917 HydrophobicContact CG1-CG2 4.48Å; V2892-T2917 HydrophobicContact CG2-CG2 4.13Å; V2892-L2919 HydrophobicContact CG1-CD2 3.69Å; V2892-Y2925 HydrophobicContact CG1-CD1 3.72Å; V2892-Y2925 HydrophobicContact CG1-CE1 4.39Å; V2892-Y2925 HydrophobicContact CG1-CG 4.45Å; V2892-I2926 WeakPolarHBondContact CA-O 3.28Å; V2892-V2927 HydrophobicContact CG1-CG2 4.45Å; V2892-V2927 HydrophobicContact CG2-CG1 4.47Å; V2892-V2927 HydrophobicContact CG2-CG2 4.29Å |
| 2893 | S | 97.1 | Very high | 89.4 | Confident | 21 Ų | 21 | 41 Ų | 41 | 15% | 0.147 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 129.8 | 178.7 | -45.9 | 0 | 0 | 0 | 0 | 110.3 | G2898 T2899 Y2925 I2926 | S2893-G2898 WeakPolarHBondContact CA-O 3.38Å; S2893-T2899 VanDerWaalsContact CB-OG1 3.32Å; S2893-T2899 WeakPolarHBondContact CB-OG1 3.35Å; S2893-T2899 WeakPolarHBondContact OG-CB 3.35Å; S2893-T2899 VanDerWaalsContact OG-CG2 3.28Å; S2893-T2899 WeakPolarHBondContact OG-CG2 3.37Å; S2893-T2899 PolarHBondContact OG-OG1 3.06Å; S2893-Y2925 CarbonylContact O-C 3.52Å; S2893-Y2925 VanDerWaalsContact O-CA 3.31Å; S2893-Y2925 WeakPolarHBondContact O-CA 3.29Å; S2893-I2926 PolarHBondContact N-O 3.08Å; S2893-I2926 PolarHBondContact O-N 2.92Å |
| 2894 | L | 96.4 | Very high | 90.1 | Very high | 5.2 Ų | 5.2 | 39.4 Ų | 39.4 | 3% | 0.027 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 131.4 | 164.7 | 179.1 | 63 | 0 | 0 | 0 | 108.1 | H2836 P2838 D2896 G2897 G2898 R2923 Y2925 | H2836-L2894 HydrophobicContact CB-CB 4.39Å; P2838-L2894 HydrophobicContact CB-CD2 3.91Å; L2894-D2896 VanDerWaalsContact CG-OD1 3.29Å; L2894-D2896 WeakPolarHBondContact CG-OD1 3.37Å; L2894-D2896 PolarHBondContact O-N 3.05Å; L2894-D2896 VanDerWaalsContact O-N 3.08Å; L2894-G2897 CarbonylContact O-C 3.45Å; L2894-G2897 PolarHBondContact O-N 3.16Å; L2894-G2898 PolarHBondContact N-O 2.89Å; L2894-G2898 VanDerWaalsContact N-O 3.08Å; L2894-R2923 HydrophobicContact CD1-CB 3.72Å; L2894-R2923 HydrophobicContact CD1-CG 3.87Å; L2894-Y2925 HydrophobicContact CB-CD1 4.4Å; L2894-Y2925 HydrophobicContact CB-CE1 4.04Å; L2894-Y2925 HydrophobicContact CD1-CD1 4.42Å; L2894-Y2925 HydrophobicContact CD1-CE1 3.91Å; L2894-Y2925 HydrophobicContact CD1-CE2 4.3Å; L2894-Y2925 HydrophobicContact CG-CE1 4.49Å |
| 2895 | F | 90.5 | Very high | 90.5 | Very high | 119.6 Ų | 119.6 | 37.2 Ų | 37.2 | 53% | 0.525 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -33.5 | -171.1 | -175 | -104.5 | 0 | 0 | 0 | 114.1 | T2924 I2926 | F2895-T2924 HydrophobicContact CB-CG2 4.32Å; F2895-T2924 VanDerWaalsContact CB-O 3.3Å; F2895-T2924 WeakPolarHBondContact CB-O 3.38Å; F2895-T2924 PolarHBondContact N-O 3.1Å; F2895-I2926 HydrophobicContact CD2-CD1 4.01Å; F2895-I2926 HydrophobicContact CD2-CG1 4.27Å; F2895-I2926 HydrophobicContact CE2-CD1 4.49Å |
| 2896 | D | 86.1 | Confident | 90.2 | Very high | 112 Ų | 112 | 40.3 Ų | 40.3 | 60% | 0.599 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.2 | 17.9 | 176.8 | 60.8 | -23.4 | 0 | 0 | 0 | 113.3 | L2894 R2923 | L2894-D2896 VanDerWaalsContact CG-OD1 3.29Å; L2894-D2896 WeakPolarHBondContact CG-OD1 3.37Å; L2894-D2896 PolarHBondContact O-N 3.05Å; L2894-D2896 VanDerWaalsContact O-N 3.08Å; D2896-R2923 IonicContact OD2-NH1 2.75Å |
| 2897 | G | 89.5 | Confident | 89.8 | Confident | 43.6 Ų | 43.6 | 42.7 Ų | 42.7 | 45% | 0.449 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -140.5 | -156.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L2894 | L2894-G2897 CarbonylContact O-C 3.45Å; L2894-G2897 PolarHBondContact O-N 3.16Å |
| 2898 | G | 93.4 | Very high | 89.4 | Confident | 31 Ų | 31 | 42.3 Ų | 42.3 | 32% | 0.32 | 24% | 0.244 | S | C | . | . | trans | -80.6 | 170.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N2835 H2836 S2893 L2894 | N2835-G2898 CarbonylContact O-C 3.56Å; N2835-G2898 VanDerWaalsContact O-CA 3.23Å; N2835-G2898 WeakPolarHBondContact O-CA 3.27Å; N2835-G2898 PolarHBondContact O-N 2.94Å; H2836-G2898 WeakPolarHBondContact CA-O 3.38Å; S2893-G2898 WeakPolarHBondContact CA-O 3.38Å; L2894-G2898 PolarHBondContact N-O 2.89Å; L2894-G2898 VanDerWaalsContact N-O 3.08Å | ||
| 2899 | T | 96 | Very high | 88.6 | Confident | 70 Ų | 70 | 43.4 Ų | 43.4 | 43% | 0.429 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 133.3 | 176.4 | -58.5 | 0 | 0 | 0 | 0 | 110 | N2835 T2891 V2892 S2893 | N2835-T2899 WeakPolarHBondContact CB-O 3.3Å; N2835-T2899 PolarHBondContact ND2-O 2.88Å; T2891-T2899 HydrophobicContact CG2-CG2 4.43Å; V2892-T2899 WeakPolarHBondContact O-CA 3.38Å; S2893-T2899 VanDerWaalsContact CB-OG1 3.32Å; S2893-T2899 WeakPolarHBondContact CB-OG1 3.35Å; S2893-T2899 WeakPolarHBondContact OG-CB 3.35Å; S2893-T2899 VanDerWaalsContact OG-CG2 3.28Å; S2893-T2899 WeakPolarHBondContact OG-CG2 3.37Å; S2893-T2899 PolarHBondContact OG-OG1 3.06Å |
| 2900 | E | 95.6 | Very high | 87.6 | Confident | 21.4 Ų | 21.4 | 43.4 Ų | 43.4 | 10% | 0.1 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 137.5 | 171.7 | -172.4 | 66.9 | -154 | 0 | 0 | 110.3 | H2803 A2834 N2835 H2836 V2892 | H2803-E2900 IonicContact CD2-OE1 3.36Å; H2803-E2900 PolarHBondContact CD2-OE1 2.93Å; H2803-E2900 IonicContact CE1-OE1 3.11Å; H2803-E2900 PolarHBondContact CE1-OE1 2.97Å; H2803-E2900 IonicContact CG-OE1 3.08Å; H2803-E2900 IonicContact ND1-OE1 3.22Å; H2803-E2900 PolarHBondContact ND1-OE1 2.77Å; H2803-E2900 IonicContact NE2-OE1 3.37Å; H2803-E2900 PolarHBondContact NE2-OE1 2.77Å; A2834-E2900 HydrophobicContact CB-CG 4.33Å; N2835-E2900 HydrophobicContact CB-CB 4.47Å; N2835-E2900 VanDerWaalsContact CB-OE2 3.3Å; N2835-E2900 WeakPolarHBondContact CB-OE2 3.35Å; N2835-E2900 VanDerWaalsContact CG-OE2 3.3Å; N2835-E2900 PolarHBondContact N-OE2 3.02Å; N2835-E2900 PolarHBondContact ND2-OE2 3Å; H2836-E2900 HydrophobicContact CB-CB 4.28Å; H2836-E2900 VanDerWaalsContact CE1-CB 3.47Å; H2836-E2900 WeakPolarHBondContact CE1-CB 3.4Å; H2836-E2900 WeakPolarHBondContact ND1-CB 3.26Å; H2836-E2900 WeakPolarHBondContact ND1-CG 3.46Å; V2892-E2900 PolarHBondContact N-O 3.1Å; V2892-E2900 PolarHBondContact O-N 3.06Å |
| 2901 | E | 94.6 | Very high | 86.5 | Confident | 113.2 Ų | 113.2 | 44 Ų | 44 | 53% | 0.529 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 119.3 | 167.7 | -70.5 | -174.3 | -173.3 | 0 | 0 | 109.6 | N2889 T2891 P2903 | N2889-E2901 PolarHBondContact ND2-OE2 3.14Å; T2891-E2901 HydrophobicContact CG2-CG 4.46Å; E2901-P2903 WeakPolarHBondContact O-CD 3.35Å |
| 2902 | V | 93.7 | Very high | 85.4 | Confident | 2.4 Ų | 2.4 | 50 Ų | 50 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 111.6 | 176.5 | -174 | 0 | 0 | 0 | 0 | 107.6 | M2890 V2892 W2915 M2916 T2917 | M2890-V2902 HydrophobicContact CB-CB 4.3Å; M2890-V2902 HydrophobicContact CE-CB 3.94Å; M2890-V2902 HydrophobicContact CE-CG1 3.96Å; M2890-V2902 HydrophobicContact CE-CG2 4.11Å; M2890-V2902 PolarHBondContact N-O 3.06Å; M2890-V2902 WeakPolarHBondContact O-CA 3.26Å; M2890-V2902 WeakPolarHBondContact O-CB 3.39Å; M2890-V2902 PolarHBondContact O-N 3Å; V2892-V2902 HydrophobicContact CB-CG2 4.27Å; V2892-V2902 HydrophobicContact CG2-CG2 3.7Å; V2902-W2915 HydrophobicContact CG1-CB 3.94Å; V2902-M2916 VanDerWaalsContact CG1-O 3.31Å; V2902-M2916 WeakPolarHBondContact CG1-O 3.34Å; V2902-T2917 HydrophobicContact CG2-CG2 3.98Å |
| 2903 | P | 90.7 | Very high | 84.6 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 27% | 0.266 | 29% | 0.293 | S | S | . | . | trans | -72.6 | 148.9 | -177.5 | 25.9 | -33 | 0 | 0 | 0 | 112.7 | L2778 N2889 E2901 | L2778-P2903 HydrophobicContact CD1-CB 4.1Å; L2778-P2903 HydrophobicContact CD1-CG 3.52Å; L2778-P2903 HydrophobicContact CD2-CG 3.82Å; L2778-P2903 HydrophobicContact CG-CG 4.37Å; N2889-P2903 WeakPolarHBondContact OD1-CA 3.37Å; E2901-P2903 WeakPolarHBondContact O-CD 3.35Å | ||
| 2904 | F | 87.9 | Confident | 84.2 | Confident | 32.6 Ų | 32.6 | 52.2 Ų | 52.2 | 14% | 0.143 | 29% | 0.286 | C | S | . | . | trans | -70.3 | 137.5 | 172.6 | -177.3 | -95.3 | 0 | 0 | 0 | 111.2 | M2886 G2887 S2888 Q2913 G2914 W2915 N3413 L3414 | M2886-F2904 HydrophobicContact CB-CE2 4.28Å; M2886-F2904 HydrophobicContact CB-CZ 4.29Å; M2886-F2904 HydrophobicContact CE-CE2 3.79Å; M2886-F2904 HydrophobicContact CE-CZ 3.91Å; M2886-F2904 HydrophobicContact SD-CE2 3.92Å; M2886-F2904 VanDerWaalsContact SD-CE2 3.59Å; M2886-F2904 HydrophobicContact SD-CZ 4.11Å; G2887-F2904 VanDerWaalsContact N-CD2 3.3Å; S2888-F2904 WeakPolarHBondContact O-CB 3.49Å; F2904-Q2913 HydrophobicContact CE1-CB 4.44Å; F2904-Q2913 HydrophobicContact CE2-CB 4.37Å; F2904-Q2913 HydrophobicContact CZ-CB 3.87Å; F2904-Q2913 HydrophobicContact CZ-CG 4.47Å; F2904-G2914 CarbonylContact C-O 3.43Å; F2904-G2914 WeakPolarHBondContact CA-O 3.25Å; F2904-G2914 VanDerWaalsContact CE2-CA 3.47Å; F2904-G2914 VanDerWaalsContact CE2-N 3.32Å; F2904-W2915 HydrophobicContact CB-CZ2 4.41Å; F2904-W2915 HydrophobicContact CD2-CD2 4.18Å; F2904-W2915 AromaticContact CD2-CE2 3.66Å; F2904-W2915 HydrophobicContact CD2-CE3 4.46Å; F2904-W2915 AromaticContact CD2-CH2 3.87Å; F2904-W2915 HydrophobicContact CD2-CH2 3.87Å; F2904-W2915 AromaticContact CD2-CZ2 3.52Å; F2904-W2915 HydrophobicContact CD2-CZ2 3.52Å; F2904-W2915 VanDerWaalsContact CD2-CZ2 3.46Å; F2904-W2915 HydrophobicContact CD2-CZ3 4.33Å; F2904-W2915 HydrophobicContact CE2-CH2 4.16Å; F2904-W2915 HydrophobicContact CE2-CZ2 4.26Å; F2904-W2915 HydrophobicContact CE2-CZ3 4.37Å; F2904-W2915 HydrophobicContact CG-CZ2 4.4Å; F2904-N3413 WeakPolarHBondContact CD1-ND2 3.29Å; F2904-L3414 HydrophobicContact CD1-CD1 4.21Å; F2904-L3414 HydrophobicContact CE1-CD1 3.69Å | ||
| 2905 | K | 84.2 | Confident | 84 | Confident | 18 Ų | 18 | 52 Ų | 52 | 8% | 0.078 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -113.7 | 139.8 | 173.7 | 65.9 | -140.5 | 168.4 | -171.6 | 0 | 110.8 | L2778 A2908 D2911 Q2913 G2914 W2915 M2916 | L2778-K2905 HydrophobicContact CB-CB 4.23Å; L2778-K2905 HydrophobicContact CB-CD 4.39Å; L2778-K2905 HydrophobicContact CD1-CB 4.13Å; K2905-A2908 HydrophobicContact CB-CB 4.36Å; K2905-A2908 HydrophobicContact CD-CB 3.66Å; K2905-A2908 VanDerWaalsContact CE-CB 3.5Å; K2905-A2908 HydrophobicContact CG-CB 4.15Å; K2905-A2908 VanDerWaalsContact NZ-CB 3.25Å; K2905-D2911 VanDerWaalsContact CE-O 3.23Å; K2905-D2911 WeakPolarHBondContact CE-O 3.46Å; K2905-D2911 WeakPolarHBondContact CE-OD2 3.44Å; K2905-D2911 IonicContact NZ-OD2 2.74Å; K2905-D2911 PolarHBondContact NZ-OD2 2.75Å; K2905-Q2913 CarbonylContact O-C 3.53Å; K2905-Q2913 VanDerWaalsContact O-CA 3.3Å; K2905-Q2913 WeakPolarHBondContact O-CA 3.3Å; K2905-G2914 VanDerWaalsContact CG-O 3.3Å; K2905-G2914 WeakPolarHBondContact CG-O 3.35Å; K2905-G2914 PolarHBondContact N-O 2.94Å; K2905-G2914 PolarHBondContact O-N 3.06Å; K2905-W2915 VanDerWaalsContact NZ-C 3.28Å; K2905-W2915 PolarHBondContact NZ-O 3.16Å; K2905-W2915 VanDerWaalsContact NZ-O 3.12Å; K2905-M2916 VanDerWaalsContact NZ-CB 3.27Å |
| 2906 | S | 76 | Confident | 84.1 | Confident | 65.2 Ų | 65.2 | 46.7 Ų | 46.7 | 46% | 0.456 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -90.4 | -11.4 | 175.4 | 57.5 | 0 | 0 | 0 | 0 | 113.8 | K2912 | S2906-K2912 CarbonylContact C-O 3.45Å; S2906-K2912 VanDerWaalsContact O-O 3.14Å |
| 2907 | E | 71.7 | Confident | 84.5 | Confident | 93 Ų | 93 | 41.4 Ų | 41.4 | 44% | 0.435 | 23% | 0.234 | S | C | . | . | trans | -140.5 | 129.3 | -179.5 | -63.1 | -178.9 | 174 | 0 | 0 | 109.8 | K2912 | E2907-K2912 CarbonylContact C-O 3.54Å; E2907-K2912 VanDerWaalsContact C-O 3.3Å; E2907-K2912 VanDerWaalsContact CA-O 3.25Å; E2907-K2912 WeakPolarHBondContact CA-O 3.33Å; E2907-K2912 PolarHBondContact N-O 3.03Å; E2907-K2912 VanDerWaalsContact N-O 3.14Å | ||
| 2908 | A | 71.4 | Confident | 84.7 | Confident | 15 Ų | 15 | 39.7 Ų | 39.7 | 12% | 0.124 | 22% | 0.215 | C | C | . | . | trans | -156.7 | 173.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | C2779 K2905 D2911 K2912 | C2779-A2908 VanDerWaalsContact SG-CA 3.51Å; K2905-A2908 HydrophobicContact CB-CB 4.36Å; K2905-A2908 HydrophobicContact CD-CB 3.66Å; K2905-A2908 VanDerWaalsContact CE-CB 3.5Å; K2905-A2908 HydrophobicContact CG-CB 4.15Å; K2905-A2908 VanDerWaalsContact NZ-CB 3.25Å; A2908-D2911 CarbonylContact C-O 3.51Å; A2908-D2911 VanDerWaalsContact C-O 3.26Å; A2908-D2911 WeakPolarHBondContact CA-O 3.43Å; A2908-D2911 VanDerWaalsContact CB-O 3.28Å; A2908-D2911 WeakPolarHBondContact CB-O 3.31Å; A2908-K2912 PolarHBondContact N-O 3.04Å | ||
| 2909 | L | 68.7 | Low | 84.8 | Confident | 37 Ų | 37 | 38.2 Ų | 38.2 | 19% | 0.194 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -77.7 | -51.3 | -172.3 | -72 | 168.2 | 0 | 0 | 0 | 115.3 | W2744 Q2774 C2775 C2779 Y2782 | W2744-L2909 HydrophobicContact CB-CD1 3.61Å; W2744-L2909 HydrophobicContact CB-CD2 4.35Å; W2744-L2909 HydrophobicContact CD2-CD1 3.6Å; W2744-L2909 VanDerWaalsContact CD2-CD1 3.48Å; W2744-L2909 HydrophobicContact CD2-CD2 3.69Å; W2744-L2909 VanDerWaalsContact CD2-CD2 3.48Å; W2744-L2909 HydrophobicContact CD2-CG 4.12Å; W2744-L2909 HydrophobicContact CE3-CD1 3.79Å; W2744-L2909 HydrophobicContact CE3-CD2 3.44Å; W2744-L2909 HydrophobicContact CE3-CG 3.99Å; W2744-L2909 HydrophobicContact CG-CD1 3.55Å; W2744-L2909 VanDerWaalsContact CG-CD1 3.45Å; W2744-L2909 HydrophobicContact CG-CD2 4.26Å; W2744-L2909 HydrophobicContact CG-CG 4.41Å; W2744-L2909 HydrophobicContact CH2-CD2 4.28Å; W2744-L2909 HydrophobicContact CZ2-CD2 4.3Å; W2744-L2909 HydrophobicContact CZ3-CD1 4.43Å; W2744-L2909 HydrophobicContact CZ3-CD2 3.41Å; W2744-L2909 VanDerWaalsContact CZ3-CD2 3.47Å; W2744-L2909 HydrophobicContact CZ3-CG 4.19Å; Q2774-L2909 HydrophobicContact CB-CD2 4.24Å; Q2774-L2909 HydrophobicContact CG-CD2 4.25Å; Q2774-L2909 VanDerWaalsContact OE1-CD2 3.26Å; C2775-L2909 HydrophobicContact CB-CD2 4.48Å; C2775-L2909 HydrophobicContact CB-CG 4.28Å; C2779-L2909 HydrophobicContact CB-CD1 4.07Å; C2779-L2909 HydrophobicContact CB-CG 4.13Å; Y2782-L2909 HydrophobicContact CE2-CD1 3.91Å |
| 2910 | T | 69.4 | Low | 84.7 | Confident | 45.4 Ų | 45.4 | 35.2 Ų | 35.2 | 28% | 0.279 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -88.5 | -36.3 | -176.7 | 32.2 | 0 | 0 | 0 | 0 | 111.4 | R2874 S2876 Y2943 | R2874-T2910 VanDerWaalsContact CZ-OG1 3.28Å; R2874-T2910 PolarHBondContact NH1-OG1 3.04Å; R2874-T2910 PolarHBondContact NH2-OG1 2.94Å; R2874-T2910 VanDerWaalsContact NH2-OG1 3.12Å; S2876-T2910 PolarHBondContact OG-OG1 3.08Å; T2910-Y2943 HydrophobicContact CG2-CD1 4.14Å; T2910-Y2943 HydrophobicContact CG2-CD2 3.26Å; T2910-Y2943 HydrophobicContact CG2-CE1 4.3Å; T2910-Y2943 HydrophobicContact CG2-CE2 3.51Å; T2910-Y2943 HydrophobicContact CG2-CG 3.62Å |
| 2911 | D | 70.5 | Confident | 84.7 | Confident | 12.6 Ų | 12.6 | 34.6 Ų | 34.6 | 7% | 0.067 | 18% | 0.178 | C | C | . | . | trans | -138.7 | 129.2 | -175.7 | -55 | -61.1 | 0 | 0 | 0 | 108.8 | R2874 S2876 D2878 K2905 A2908 Q2913 Y2943 | R2874-D2911 IonicContact CZ-OD1 3.83Å; R2874-D2911 IonicContact NH1-OD1 2.66Å; R2874-D2911 IonicContact NH2-OD1 2.65Å; R2874-D2911 PolarHBondContact NH2-OD1 3Å; R2874-D2911 VanDerWaalsContact NH2-OD1 3.16Å; R2874-D2911 IonicContact NH2-OD2 3.96Å; S2876-D2911 WeakPolarHBondContact CB-OD1 3.43Å; S2876-D2911 WeakPolarHBondContact CB-OD2 3.24Å; S2876-D2911 PolarHBondContact OG-OD1 2.91Å; S2876-D2911 PolarHBondContact OG-OD2 3.14Å; S2876-D2911 VanDerWaalsContact OG-OD2 3.08Å; D2878-D2911 HydrophobicContact CB-CB 3.61Å; D2878-D2911 VanDerWaalsContact CB-CB 3.44Å; D2878-D2911 WeakPolarHBondContact CB-OD1 3.44Å; D2878-D2911 VanDerWaalsContact CG-CB 3.49Å; D2878-D2911 VanDerWaalsContact OD2-C 3.25Å; D2878-D2911 VanDerWaalsContact OD2-CA 3.24Å; D2878-D2911 WeakPolarHBondContact OD2-CA 3.26Å; D2878-D2911 WeakPolarHBondContact OD2-CB 3.26Å; K2905-D2911 VanDerWaalsContact CE-O 3.23Å; K2905-D2911 WeakPolarHBondContact CE-O 3.46Å; K2905-D2911 WeakPolarHBondContact CE-OD2 3.44Å; K2905-D2911 IonicContact NZ-OD2 2.74Å; K2905-D2911 PolarHBondContact NZ-OD2 2.75Å; A2908-D2911 CarbonylContact C-O 3.51Å; A2908-D2911 VanDerWaalsContact C-O 3.26Å; A2908-D2911 WeakPolarHBondContact CA-O 3.43Å; A2908-D2911 VanDerWaalsContact CB-O 3.28Å; A2908-D2911 WeakPolarHBondContact CB-O 3.31Å; D2911-Q2913 PolarHBondContact O-N 2.93Å; D2911-Y2943 VanDerWaalsContact OD1-CE2 3.22Å; D2911-Y2943 WeakPolarHBondContact OD1-CE2 3.43Å; D2911-Y2943 WeakPolarHBondContact OD2-CD2 3.25Å; D2911-Y2943 WeakPolarHBondContact OD2-CE2 3.17Å | ||
| 2912 | K | 72.4 | Confident | 84.8 | Confident | 150.2 Ų | 150.2 | 32 Ų | 32 | 65% | 0.653 | 17% | 0.168 | S | C | * | . | S | Bend | trans | -70.5 | -36 | -167.7 | -71.1 | -172.6 | -179.7 | -177.3 | 0 | 112.8 | D2878 S2906 E2907 A2908 | D2878-K2912 PolarHBondContact OD2-N 3.22Å; S2906-K2912 CarbonylContact C-O 3.45Å; S2906-K2912 VanDerWaalsContact O-O 3.14Å; E2907-K2912 CarbonylContact C-O 3.54Å; E2907-K2912 VanDerWaalsContact C-O 3.3Å; E2907-K2912 VanDerWaalsContact CA-O 3.25Å; E2907-K2912 WeakPolarHBondContact CA-O 3.33Å; E2907-K2912 PolarHBondContact N-O 3.03Å; E2907-K2912 VanDerWaalsContact N-O 3.14Å; A2908-K2912 PolarHBondContact N-O 3.04Å |
| 2913 | Q | 80.4 | Confident | 84.9 | Confident | 67 Ų | 67 | 34.5 Ų | 34.5 | 31% | 0.313 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -132.1 | 131.2 | -175.4 | -69.2 | -175.6 | -8.9 | 0 | 0 | 110.7 | D2878 M2886 F2904 K2905 D2911 | D2878-Q2913 WeakPolarHBondContact CA-O 3.43Å; D2878-Q2913 VanDerWaalsContact CB-O 3.26Å; D2878-Q2913 WeakPolarHBondContact CB-O 3.28Å; D2878-Q2913 PolarHBondContact OD1-N 3.2Å; D2878-Q2913 PolarHBondContact OD2-N 3.24Å; M2886-Q2913 HydrophobicContact CE-CB 3.88Å; M2886-Q2913 WeakPolarHBondContact CE-O 3.34Å; F2904-Q2913 HydrophobicContact CE1-CB 4.44Å; F2904-Q2913 HydrophobicContact CE2-CB 4.37Å; F2904-Q2913 HydrophobicContact CZ-CB 3.87Å; F2904-Q2913 HydrophobicContact CZ-CG 4.47Å; K2905-Q2913 CarbonylContact O-C 3.53Å; K2905-Q2913 VanDerWaalsContact O-CA 3.3Å; K2905-Q2913 WeakPolarHBondContact O-CA 3.3Å; D2911-Q2913 PolarHBondContact O-N 2.93Å |
| 2914 | G | 89.4 | Confident | 85.2 | Confident | 0.4 Ų | 0.4 | 34 Ų | 34 | 0% | 0.004 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 147.1 | -141.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | V2877 F2904 K2905 | V2877-G2914 CarbonylContact O-C 3.54Å; V2877-G2914 VanDerWaalsContact O-CA 3.25Å; V2877-G2914 WeakPolarHBondContact O-CA 3.39Å; F2904-G2914 CarbonylContact C-O 3.43Å; F2904-G2914 WeakPolarHBondContact CA-O 3.25Å; F2904-G2914 VanDerWaalsContact CE2-CA 3.47Å; F2904-G2914 VanDerWaalsContact CE2-N 3.32Å; K2905-G2914 VanDerWaalsContact CG-O 3.3Å; K2905-G2914 WeakPolarHBondContact CG-O 3.35Å; K2905-G2914 PolarHBondContact N-O 2.94Å; K2905-G2914 PolarHBondContact O-N 3.06Å |
| 2915 | W | 92.3 | Very high | 85.7 | Confident | 1.2 Ų | 1.2 | 32.5 Ų | 32.5 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 151.6 | -172.5 | -57.1 | -89 | 0 | 0 | 0 | 110.7 | S2876 V2877 A2880 L2885 M2886 S2888 M2890 V2902 F2904 K2905 W2929 | S2876-W2915 CarbonylContact C-O 3.55Å; S2876-W2915 VanDerWaalsContact CA-O 3.28Å; S2876-W2915 WeakPolarHBondContact CA-O 3.41Å; S2876-W2915 WeakPolarHBondContact CB-O 3.39Å; V2877-W2915 HydrophobicContact CB-CE3 4.14Å; V2877-W2915 HydrophobicContact CG1-CE3 4.02Å; V2877-W2915 HydrophobicContact CG1-CZ3 4.34Å; V2877-W2915 PolarHBondContact N-O 2.91Å; V2877-W2915 PolarHBondContact O-N 3.16Å; A2880-W2915 HydrophobicContact CB-CH2 4.27Å; A2880-W2915 HydrophobicContact CB-CZ3 3.87Å; L2885-W2915 HydrophobicContact CB-CH2 4.27Å; L2885-W2915 VanDerWaalsContact O-CH2 3.27Å; L2885-W2915 WeakPolarHBondContact O-CH2 3.35Å; L2885-W2915 WeakPolarHBondContact O-CZ2 3.31Å; M2886-W2915 HydrophobicContact SD-CH2 4.19Å; M2886-W2915 HydrophobicContact SD-CZ3 4.28Å; S2888-W2915 VanDerWaalsContact O-CE2 3.3Å; S2888-W2915 VanDerWaalsContact O-CZ2 3.26Å; S2888-W2915 WeakPolarHBondContact O-CZ2 3.32Å; S2888-W2915 PolarHBondContact O-NE1 3.03Å; M2890-W2915 HydrophobicContact CB-CB 4.29Å; M2890-W2915 VanDerWaalsContact CB-CD1 3.46Å; M2890-W2915 HydrophobicContact CB-CD2 4.02Å; M2890-W2915 HydrophobicContact CB-CG 3.66Å; M2890-W2915 HydrophobicContact CE-CB 3.53Å; M2890-W2915 HydrophobicContact CE-CG 4.18Å; M2890-W2915 HydrophobicContact CG-CG 4.48Å; M2890-W2915 HydrophobicContact SD-CB 3.97Å; M2890-W2915 HydrophobicContact SD-CD2 4.44Å; M2890-W2915 HydrophobicContact SD-CG 4.14Å; V2902-W2915 HydrophobicContact CG1-CB 3.94Å; F2904-W2915 HydrophobicContact CB-CZ2 4.41Å; F2904-W2915 HydrophobicContact CD2-CD2 4.18Å; F2904-W2915 AromaticContact CD2-CE2 3.66Å; F2904-W2915 HydrophobicContact CD2-CE3 4.46Å; F2904-W2915 AromaticContact CD2-CH2 3.87Å; F2904-W2915 HydrophobicContact CD2-CH2 3.87Å; F2904-W2915 AromaticContact CD2-CZ2 3.52Å; F2904-W2915 HydrophobicContact CD2-CZ2 3.52Å; F2904-W2915 VanDerWaalsContact CD2-CZ2 3.46Å; F2904-W2915 HydrophobicContact CD2-CZ3 4.33Å; F2904-W2915 HydrophobicContact CE2-CH2 4.16Å; F2904-W2915 HydrophobicContact CE2-CZ2 4.26Å; F2904-W2915 HydrophobicContact CE2-CZ3 4.37Å; F2904-W2915 HydrophobicContact CG-CZ2 4.4Å; K2905-W2915 VanDerWaalsContact NZ-C 3.28Å; K2905-W2915 PolarHBondContact NZ-O 3.16Å; K2905-W2915 VanDerWaalsContact NZ-O 3.12Å; W2915-W2929 AromaticContact CD2-NE1 3.83Å; W2915-W2929 AromaticContact CE2-CD1 3.85Å; W2915-W2929 AromaticContact CE2-NE1 3.6Å; W2915-W2929 AromaticContact CE3-NE1 3.75Å; W2915-W2929 AromaticContact CH2-CD1 3.75Å; W2915-W2929 AromaticContact CH2-NE1 3.27Å; W2915-W2929 VanDerWaalsContact CH2-NE1 3.27Å; W2915-W2929 AromaticContact CZ2-CD1 3.43Å; W2915-W2929 VanDerWaalsContact CZ2-CD1 3.44Å; W2915-W2929 AromaticContact CZ2-NE1 3.32Å; W2915-W2929 VanDerWaalsContact CZ2-NE1 3.31Å; W2915-W2929 AromaticContact CZ3-NE1 3.49Å |
| 2916 | M | 92.3 | Very high | 86.3 | Confident | 8.2 Ų | 8.2 | 33.2 Ų | 33.2 | 4% | 0.04 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 136.3 | 168.8 | -174.9 | -86 | -69.3 | 0 | 0 | 110.5 | L2778 C2779 G2780 W2802 G2804 R2874 Y2875 V2902 K2905 | L2778-M2916 WeakPolarHBondContact O-CE 3.42Å; C2779-M2916 VanDerWaalsContact C-CE 3.42Å; G2780-M2916 VanDerWaalsContact C-CE 3.43Å; G2780-M2916 WeakPolarHBondContact O-CE 3.4Å; W2802-M2916 HydrophobicContact CH2-CE 3.31Å; W2802-M2916 VanDerWaalsContact CH2-CE 3.41Å; W2802-M2916 WeakPolarHBondContact CH2-O 3.41Å; W2802-M2916 HydrophobicContact CH2-SD 3.68Å; W2802-M2916 HydrophobicContact CZ2-CE 3.35Å; W2802-M2916 HydrophobicContact CZ2-SD 4.28Å; W2802-M2916 VanDerWaalsContact CZ3-O 3.29Å; W2802-M2916 WeakPolarHBondContact CZ3-O 3.35Å; G2804-M2916 VanDerWaalsContact O-CE 3.32Å; G2804-M2916 WeakPolarHBondContact O-CE 3.33Å; R2874-M2916 HydrophobicContact CG-CG 4.3Å; R2874-M2916 HydrophobicContact CG-SD 4.11Å; Y2875-M2916 CarbonylContact O-C 3.52Å; Y2875-M2916 VanDerWaalsContact O-CA 3.25Å; Y2875-M2916 WeakPolarHBondContact O-CA 3.26Å; Y2875-M2916 WeakPolarHBondContact O-CG 3.43Å; V2902-M2916 VanDerWaalsContact CG1-O 3.31Å; V2902-M2916 WeakPolarHBondContact CG1-O 3.34Å; K2905-M2916 VanDerWaalsContact NZ-CB 3.27Å |
| 2917 | T | 93.4 | Very high | 87.3 | Confident | 0.8 Ų | 0.8 | 30.1 Ų | 30.1 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 178 | 173.8 | -166.4 | 0 | 0 | 0 | 0 | 110.1 | H2803 H2836 Y2875 V2892 V2902 L2919 | H2803-T2917 PolarHBondContact CD2-OG1 2.93Å; H2803-T2917 PolarHBondContact NE2-OG1 2.83Å; H2803-T2917 VanDerWaalsContact NE2-OG1 3.1Å; H2836-T2917 PolarHBondContact CE1-OG1 3.23Å; Y2875-T2917 HydrophobicContact CD1-CG2 4.28Å; Y2875-T2917 PolarHBondContact N-O 3.03Å; Y2875-T2917 PolarHBondContact O-N 3.07Å; Y2875-T2917 VanDerWaalsContact O-O 3.11Å; V2892-T2917 HydrophobicContact CG1-CG2 4.48Å; V2892-T2917 HydrophobicContact CG2-CG2 4.13Å; V2902-T2917 HydrophobicContact CG2-CG2 3.98Å; T2917-L2919 HydrophobicContact CG2-CD2 4Å |
| 2918 | T | 93.9 | Very high | 88.3 | Confident | 8.6 Ų | 8.6 | 26.8 Ų | 26.8 | 5% | 0.053 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 124.5 | 175.9 | -59.2 | 0 | 0 | 0 | 0 | 109.5 | H2836 A2872 L2873 | H2836-T2918 PolarHBondContact NE2-O 3.16Å; A2872-T2918 HydrophobicContact CB-CG2 3.41Å; A2872-T2918 VanDerWaalsContact CB-CG2 3.43Å; L2873-T2918 CarbonylContact O-C 3.39Å; L2873-T2918 WeakPolarHBondContact O-CA 3.36Å |
| 2919 | L | 95.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 169.3 | 172.4 | -51.5 | -177.7 | 0 | 0 | 0 | 110.2 | A2872 L2873 Y2875 V2892 T2917 Y2925 L2944 V2953 I2955 | A2872-L2919 CarbonylContact C-O 3.52Å; A2872-L2919 WeakPolarHBondContact CA-O 3.38Å; L2873-L2919 HydrophobicContact CB-CB 4.33Å; L2873-L2919 PolarHBondContact N-O 2.93Å; L2873-L2919 PolarHBondContact O-N 3.13Å; Y2875-L2919 HydrophobicContact CD1-CD1 3.97Å; Y2875-L2919 HydrophobicContact CD1-CD2 4.42Å; Y2875-L2919 HydrophobicContact CD1-CG 4.35Å; Y2875-L2919 HydrophobicContact CG-CD1 3.88Å; Y2875-L2919 HydrophobicContact CG-CG 4.32Å; V2892-L2919 HydrophobicContact CG1-CD2 3.69Å; T2917-L2919 HydrophobicContact CG2-CD2 4Å; L2919-Y2925 HydrophobicContact CB-CD2 4.27Å; L2919-Y2925 HydrophobicContact CB-CE2 3.8Å; L2919-Y2925 HydrophobicContact CD1-CD2 4.15Å; L2919-Y2925 HydrophobicContact CD1-CE2 4.48Å; L2919-Y2925 HydrophobicContact CD1-CG 4.46Å; L2919-Y2925 HydrophobicContact CD2-CD1 3.9Å; L2919-Y2925 HydrophobicContact CD2-CD2 4.22Å; L2919-Y2925 HydrophobicContact CD2-CE1 3.97Å; L2919-Y2925 HydrophobicContact CD2-CE2 4.29Å; L2919-Y2925 HydrophobicContact CD2-CG 4.02Å; L2919-Y2925 HydrophobicContact CG-CD2 4.43Å; L2919-Y2925 HydrophobicContact CG-CE2 4.42Å; L2919-L2944 HydrophobicContact CD1-CD2 4.11Å; L2919-V2953 HydrophobicContact CD1-CG2 4.13Å; L2919-I2955 HydrophobicContact CD1-CD1 3.61Å |
| 2920 | V | 95.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 29 Ų | 29 | 3% | 0.03 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 143.9 | 171.4 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | L2837 P2838 V2870 T2871 R2923 Y2925 | L2837-V2920 HydrophobicContact CD2-CG1 4.13Å; L2837-V2920 HydrophobicContact CD2-CG2 4.09Å; P2838-V2920 HydrophobicContact CG-CB 4.27Å; P2838-V2920 HydrophobicContact CG-CG1 4.13Å; P2838-V2920 HydrophobicContact CG-CG2 4.09Å; V2870-V2920 HydrophobicContact CB-CG1 4.44Å; V2870-V2920 HydrophobicContact CG1-CB 4.34Å; V2870-V2920 HydrophobicContact CG1-CG1 3.72Å; V2870-V2920 HydrophobicContact CG1-CG2 3.86Å; V2870-V2920 HydrophobicContact CG2-CG1 4.36Å; T2871-V2920 WeakPolarHBondContact O-CA 3.34Å; V2920-R2923 HydrophobicContact CG2-CB 4.36Å; V2920-R2923 HydrophobicContact CG2-CG 3.71Å; V2920-Y2925 WeakPolarHBondContact CB-OH 3.28Å; V2920-Y2925 WeakPolarHBondContact CG2-OH 3.18Å; V2920-Y2925 PolarHBondContact N-OH 3.13Å; V2920-Y2925 WeakPolarHBondContact O-CE2 3.35Å |
| 2921 | N | 95.6 | Very high | 90.5 | Very high | 10 Ų | 10 | 29 Ų | 29 | 5% | 0.053 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -58.6 | 158 | 174.2 | 63.5 | -38.6 | 0 | 0 | 0 | 113.6 | D2869 V2870 T2871 L2873 R2923 D2951 Y2952 | D2869-N2921 PolarHBondContact O-ND2 2.84Å; D2869-N2921 VanDerWaalsContact O-ND2 3.11Å; D2869-N2921 PolarHBondContact O-OD1 3.14Å; V2870-N2921 WeakPolarHBondContact CA-OD1 3.43Å; T2871-N2921 PolarHBondContact N-OD1 2.93Å; T2871-N2921 PolarHBondContact O-N 3.03Å; T2871-N2921 VanDerWaalsContact O-N 3.13Å; T2871-N2921 PolarHBondContact O-OD1 2.91Å; L2873-N2921 HydrophobicContact CD1-CB 4.4Å; N2921-R2923 VanDerWaalsContact C-N 3.31Å; N2921-R2923 PolarHBondContact O-N 2.98Å; N2921-D2951 HydrophobicContact CB-CB 3.89Å; N2921-D2951 WeakPolarHBondContact CB-OD1 3.34Å; N2921-D2951 PolarHBondContact ND2-OD1 2.99Å; N2921-Y2952 CarbonylContact C-O 3.53Å |
| 2922 | N | 95.8 | Very high | 91 | Very high | 58 Ų | 58 | 31.3 Ų | 31.3 | 31% | 0.31 | 16% | 0.156 | S | C | . | . | S | Bend | trans | 58.4 | 37.7 | 173 | -53.8 | -24.4 | 0 | 0 | 0 | 113.8 | S2950 D2951 Y2952 | N2922-S2950 PolarHBondContact OD1-O 3.27Å; N2922-D2951 WeakPolarHBondContact OD1-CA 3.44Å; N2922-Y2952 WeakPolarHBondContact CA-O 3.2Å; N2922-Y2952 HydrophobicContact CB-CD1 4.31Å; N2922-Y2952 HydrophobicContact CB-CE1 3.76Å; N2922-Y2952 PolarHBondContact N-O 3.19Å; N2922-Y2952 WeakPolarHBondContact OD1-CD1 3.34Å; N2922-Y2952 VanDerWaalsContact OD1-CE1 3.3Å; N2922-Y2952 WeakPolarHBondContact OD1-CE1 3.26Å; N2922-Y2952 PolarHBondContact OD1-N 3.07Å; N2922-Y2952 VanDerWaalsContact OD1-N 3.13Å |
| 2923 | R | 95.6 | Very high | 91.4 | Very high | 55.2 Ų | 55.2 | 29.2 Ų | 29.2 | 21% | 0.208 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 163 | -179 | -66.9 | -61.8 | -169.6 | -139.6 | 4.9 | 111.8 | D2840 L2894 D2896 V2920 N2921 Y2925 I2954 | D2840-R2923 VanDerWaalsContact CG-NH2 3.31Å; D2840-R2923 IonicContact OD1-NH2 3.32Å; D2840-R2923 PolarHBondContact OD1-NH2 3.03Å; D2840-R2923 VanDerWaalsContact OD1-NH2 3.16Å; D2840-R2923 IonicContact OD2-CZ 3.81Å; D2840-R2923 IonicContact OD2-NH2 3.31Å; D2840-R2923 PolarHBondContact OD2-NH2 3Å; L2894-R2923 HydrophobicContact CD1-CB 3.72Å; L2894-R2923 HydrophobicContact CD1-CG 3.87Å; D2896-R2923 IonicContact OD2-NH1 2.75Å; V2920-R2923 HydrophobicContact CG2-CB 4.36Å; V2920-R2923 HydrophobicContact CG2-CG 3.71Å; N2921-R2923 VanDerWaalsContact C-N 3.31Å; N2921-R2923 PolarHBondContact O-N 2.98Å; R2923-Y2925 HydrophobicContact CB-CD2 4.43Å; R2923-Y2925 HydrophobicContact CB-CE2 3.82Å; R2923-I2954 PolarHBondContact O-N 2.78Å; R2923-I2954 VanDerWaalsContact O-N 3.1Å |
| 2924 | T | 96.7 | Very high | 91.4 | Very high | 31.4 Ų | 31.4 | 27.6 Ų | 27.6 | 19% | 0.193 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.5 | 171.6 | -58.5 | 0 | 0 | 0 | 0 | 109.2 | F2895 I2954 | F2895-T2924 HydrophobicContact CB-CG2 4.32Å; F2895-T2924 VanDerWaalsContact CB-O 3.3Å; F2895-T2924 WeakPolarHBondContact CB-O 3.38Å; F2895-T2924 PolarHBondContact N-O 3.1Å; T2924-I2954 CarbonylContact C-O 3.42Å; T2924-I2954 WeakPolarHBondContact CA-O 3.34Å; T2924-I2954 HydrophobicContact CG2-CB 4.05Å; T2924-I2954 HydrophobicContact CG2-CG2 3.95Å |
| 2925 | Y | 97.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 136.9 | 177.2 | -72.7 | -89.1 | 0 | 0 | 0 | 111 | H2836 V2892 S2893 L2894 L2919 V2920 R2923 V2953 I2954 I2955 R2956 | H2836-Y2925 HydrophobicContact CB-CE1 4.24Å; H2836-Y2925 AromaticContact CD2-CE1 3.83Å; V2892-Y2925 HydrophobicContact CG1-CD1 3.72Å; V2892-Y2925 HydrophobicContact CG1-CE1 4.39Å; V2892-Y2925 HydrophobicContact CG1-CG 4.45Å; S2893-Y2925 CarbonylContact O-C 3.52Å; S2893-Y2925 VanDerWaalsContact O-CA 3.31Å; S2893-Y2925 WeakPolarHBondContact O-CA 3.29Å; L2894-Y2925 HydrophobicContact CB-CD1 4.4Å; L2894-Y2925 HydrophobicContact CB-CE1 4.04Å; L2894-Y2925 HydrophobicContact CD1-CD1 4.42Å; L2894-Y2925 HydrophobicContact CD1-CE1 3.91Å; L2894-Y2925 HydrophobicContact CD1-CE2 4.3Å; L2894-Y2925 HydrophobicContact CG-CE1 4.49Å; L2919-Y2925 HydrophobicContact CB-CD2 4.27Å; L2919-Y2925 HydrophobicContact CB-CE2 3.8Å; L2919-Y2925 HydrophobicContact CD1-CD2 4.15Å; L2919-Y2925 HydrophobicContact CD1-CE2 4.48Å; L2919-Y2925 HydrophobicContact CD1-CG 4.46Å; L2919-Y2925 HydrophobicContact CD2-CD1 3.9Å; L2919-Y2925 HydrophobicContact CD2-CD2 4.22Å; L2919-Y2925 HydrophobicContact CD2-CE1 3.97Å; L2919-Y2925 HydrophobicContact CD2-CE2 4.29Å; L2919-Y2925 HydrophobicContact CD2-CG 4.02Å; L2919-Y2925 HydrophobicContact CG-CD2 4.43Å; L2919-Y2925 HydrophobicContact CG-CE2 4.42Å; V2920-Y2925 WeakPolarHBondContact CB-OH 3.28Å; V2920-Y2925 WeakPolarHBondContact CG2-OH 3.18Å; V2920-Y2925 PolarHBondContact N-OH 3.13Å; V2920-Y2925 WeakPolarHBondContact O-CE2 3.35Å; R2923-Y2925 HydrophobicContact CB-CD2 4.43Å; R2923-Y2925 HydrophobicContact CB-CE2 3.82Å; Y2925-V2953 HydrophobicContact CD2-CG2 3.68Å; Y2925-V2953 HydrophobicContact CE2-CG2 4.12Å; Y2925-I2954 PolarHBondContact N-O 3.02Å; Y2925-I2955 CarbonylContact O-C 3.56Å; Y2925-I2955 WeakPolarHBondContact O-CA 3.44Å; Y2925-R2956 PolarHBondContact O-N 3.19Å |
| 2926 | I | 97.4 | Very high | 90.4 | Very high | 33.8 Ų | 33.8 | 29.2 Ų | 29.2 | 17% | 0.173 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 119.6 | 167.6 | -55.8 | 176.4 | 0 | 0 | 0 | 107.7 | V2892 S2893 F2895 N2928 R2956 M2958 | V2892-I2926 WeakPolarHBondContact CA-O 3.28Å; S2893-I2926 PolarHBondContact N-O 3.08Å; S2893-I2926 PolarHBondContact O-N 2.92Å; F2895-I2926 HydrophobicContact CD2-CD1 4.01Å; F2895-I2926 HydrophobicContact CD2-CG1 4.27Å; F2895-I2926 HydrophobicContact CE2-CD1 4.49Å; I2926-N2928 VanDerWaalsContact CG2-ND2 3.28Å; I2926-N2928 WeakPolarHBondContact CG2-ND2 3.38Å; I2926-R2956 CarbonylContact C-O 3.48Å; I2926-R2956 VanDerWaalsContact CA-O 3.31Å; I2926-R2956 WeakPolarHBondContact CA-O 3.34Å; I2926-R2956 HydrophobicContact CG1-CB 4.45Å; I2926-M2958 HydrophobicContact CG2-CG 3.57Å; I2926-M2958 HydrophobicContact CG2-SD 4.39Å |
| 2927 | V | 96.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 118.7 | -178.9 | -179.6 | 0 | 0 | 0 | 0 | 109 | Y2875 M2890 T2891 V2892 I2955 R2956 H2957 | Y2875-V2927 HydrophobicContact CE1-CG1 4.11Å; Y2875-V2927 HydrophobicContact CE1-CG2 4.02Å; M2890-V2927 HydrophobicContact CG-CG1 3.81Å; M2890-V2927 HydrophobicContact SD-CG1 3.57Å; M2890-V2927 VanDerWaalsContact SD-CG1 3.57Å; T2891-V2927 CarbonylContact O-C 3.59Å; T2891-V2927 VanDerWaalsContact O-CA 3.3Å; T2891-V2927 WeakPolarHBondContact O-CA 3.31Å; V2892-V2927 HydrophobicContact CG1-CG2 4.45Å; V2892-V2927 HydrophobicContact CG2-CG1 4.47Å; V2892-V2927 HydrophobicContact CG2-CG2 4.29Å; V2927-I2955 HydrophobicContact CB-CG2 4.06Å; V2927-I2955 HydrophobicContact CG2-CD1 4.46Å; V2927-I2955 HydrophobicContact CG2-CG2 3.76Å; V2927-R2956 PolarHBondContact N-O 2.9Å; V2927-H2957 PolarHBondContact O-ND1 3Å |
| 2928 | N | 94.5 | Very high | 89.8 | Confident | 22.2 Ų | 22.2 | 31.2 Ų | 31.2 | 12% | 0.119 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | -172.3 | 176.8 | -66.6 | -65.4 | 0 | 0 | 0 | 110.7 | M2890 T2891 I2926 M2958 | M2890-N2928 CarbonylContact C-O 3.46Å; M2890-N2928 VanDerWaalsContact CA-O 3.28Å; M2890-N2928 WeakPolarHBondContact CA-O 3.27Å; M2890-N2928 VanDerWaalsContact CG-O 3.3Å; M2890-N2928 WeakPolarHBondContact CG-O 3.22Å; T2891-N2928 PolarHBondContact N-O 3.14Å; T2891-N2928 PolarHBondContact O-N 3.27Å; T2891-N2928 PolarHBondContact OG1-O 2.9Å; I2926-N2928 VanDerWaalsContact CG2-ND2 3.28Å; I2926-N2928 WeakPolarHBondContact CG2-ND2 3.38Å; N2928-M2958 WeakPolarHBondContact ND2-CB 3.35Å; N2928-M2958 WeakPolarHBondContact ND2-CG 3.41Å; N2928-M2958 PolarHBondContact OD1-N 3.26Å; N2928-M2958 PolarHBondContact OD1-O 3.05Å |
| 2929 | W | 92 | Very high | 89.7 | Confident | 6 Ų | 6 | 32.3 Ų | 32.3 | 2% | 0.023 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 144.7 | -180 | -66 | -97 | 0 | 0 | 0 | 110.5 | V2877 L2885 N2889 M2890 W2915 A2931 R2932 F2935 L2938 Y2940 H2957 | V2877-W2929 HydrophobicContact CG1-CZ2 4.19Å; L2885-W2929 HydrophobicContact CB-CD2 4.5Å; L2885-W2929 HydrophobicContact CB-CG 4.31Å; L2885-W2929 HydrophobicContact CD1-CD2 3.89Å; L2885-W2929 HydrophobicContact CD1-CE3 3.94Å; L2885-W2929 HydrophobicContact CD1-CG 4.36Å; L2885-W2929 HydrophobicContact CD1-CH2 4.44Å; L2885-W2929 HydrophobicContact CD1-CZ2 4.39Å; L2885-W2929 HydrophobicContact CD1-CZ3 4.26Å; L2885-W2929 HydrophobicContact CD2-CB 3.68Å; L2885-W2929 HydrophobicContact CD2-CD2 4.14Å; L2885-W2929 HydrophobicContact CD2-CE3 4.4Å; L2885-W2929 HydrophobicContact CD2-CG 3.83Å; L2885-W2929 HydrophobicContact CG-CD2 4.39Å; L2885-W2929 HydrophobicContact CG-CG 4.38Å; N2889-W2929 WeakPolarHBondContact O-CA 3.36Å; M2890-W2929 HydrophobicContact SD-CZ2 4.34Å; W2915-W2929 AromaticContact CD2-NE1 3.83Å; W2915-W2929 AromaticContact CE2-CD1 3.85Å; W2915-W2929 AromaticContact CE2-NE1 3.6Å; W2915-W2929 AromaticContact CE3-NE1 3.75Å; W2915-W2929 AromaticContact CH2-CD1 3.75Å; W2915-W2929 AromaticContact CH2-NE1 3.27Å; W2915-W2929 VanDerWaalsContact CH2-NE1 3.27Å; W2915-W2929 AromaticContact CZ2-CD1 3.43Å; W2915-W2929 VanDerWaalsContact CZ2-CD1 3.44Å; W2915-W2929 AromaticContact CZ2-NE1 3.32Å; W2915-W2929 VanDerWaalsContact CZ2-NE1 3.31Å; W2915-W2929 AromaticContact CZ3-NE1 3.49Å; W2929-A2931 VanDerWaalsContact C-N 3.27Å; W2929-A2931 PolarHBondContact O-N 3.18Å; W2929-R2932 CarbonylContact O-C 3.21Å; W2929-R2932 PolarHBondContact O-N 3.17Å; W2929-R2932 VanDerWaalsContact O-O 3.06Å; W2929-F2935 HydrophobicContact CE3-CE1 4.49Å; W2929-F2935 HydrophobicContact CE3-CE2 4.47Å; W2929-F2935 AromaticContact CE3-CZ 3.85Å; W2929-F2935 HydrophobicContact CE3-CZ 3.85Å; W2929-F2935 HydrophobicContact CZ3-CZ 4.31Å; W2929-L2938 HydrophobicContact CH2-CD1 4.07Å; W2929-L2938 HydrophobicContact CH2-CD2 4.43Å; W2929-L2938 HydrophobicContact CZ3-CD1 3.88Å; W2929-L2938 HydrophobicContact CZ3-CD2 4.07Å; W2929-Y2940 HydrophobicContact CH2-CD1 4.24Å; W2929-Y2940 HydrophobicContact CH2-CE1 4.2Å; W2929-H2957 AromaticContact CH2-CE1 3.94Å; W2929-H2957 AromaticContact CZ3-ND1 3.86Å |
| 2930 | D | 86.1 | Confident | 89.6 | Confident | 92.6 Ų | 92.6 | 32.5 Ų | 32.5 | 50% | 0.495 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -30.9 | -179.6 | -62.4 | -26.3 | 0 | 0 | 0 | 112.5 | S2888 N2889 T2891 R2932 | S2888-D2930 PolarHBondContact OG-N 2.91Å; N2889-D2930 WeakPolarHBondContact CB-OD2 3.25Å; N2889-D2930 PolarHBondContact O-N 3.05Å; N2889-D2930 VanDerWaalsContact O-N 3.13Å; T2891-D2930 VanDerWaalsContact CG2-OD1 3.22Å; T2891-D2930 WeakPolarHBondContact CG2-OD1 3.39Å; D2930-R2932 PolarHBondContact O-N 3.1Å |
| 2931 | A | 77.6 | Confident | 89.5 | Confident | 45.8 Ų | 45.8 | 33 Ų | 33 | 38% | 0.379 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -21 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | V2884 L2885 S2888 W2929 | V2884-A2931 WeakPolarHBondContact O-CB 3.38Å; L2885-A2931 HydrophobicContact CD2-CB 4.48Å; S2888-A2931 WeakPolarHBondContact OG-CB 3.29Å; S2888-A2931 PolarHBondContact OG-N 2.74Å; W2929-A2931 VanDerWaalsContact C-N 3.27Å; W2929-A2931 PolarHBondContact O-N 3.18Å |
| 2932 | R | 78.9 | Confident | 89.4 | Confident | 60.4 Ų | 60.4 | 32.5 Ų | 32.5 | 23% | 0.228 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -156.3 | 127.4 | -175.1 | -162.7 | 172.4 | -177.8 | 153.6 | 4.5 | 112.7 | L2885 W2929 D2930 S2934 F2935 D3323 | L2885-R2932 HydrophobicContact CD2-CB 3.88Å; W2929-R2932 CarbonylContact O-C 3.21Å; W2929-R2932 PolarHBondContact O-N 3.17Å; W2929-R2932 VanDerWaalsContact O-O 3.06Å; D2930-R2932 PolarHBondContact O-N 3.1Å; R2932-S2934 WeakPolarHBondContact CD-O 3.37Å; R2932-S2934 VanDerWaalsContact CG-O 3.3Å; R2932-S2934 WeakPolarHBondContact CG-O 3.38Å; R2932-S2934 PolarHBondContact NE-O 3.08Å; R2932-F2935 HydrophobicContact CB-CE1 4.17Å; R2932-F2935 HydrophobicContact CB-CZ 4.22Å; R2932-F2935 HydrophobicContact CG-CE1 4.2Å; R2932-F2935 HydrophobicContact CG-CZ 4.41Å; R2932-F2935 WeakPolarHBondContact O-CZ 3.26Å; R2932-D3323 PolarHBondContact NH1-O 2.78Å; R2932-D3323 VanDerWaalsContact NH1-O 3.16Å |
| 2933 | S | 81 | Confident | 89.2 | Confident | 105.8 Ų | 105.8 | 31.8 Ų | 31.8 | 74% | 0.74 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -99.2 | -7.9 | -179.4 | 59.3 | 0 | 0 | 0 | 0 | 114.9 | G2959 | S2933-G2959 VanDerWaalsContact O-CA 3.28Å; S2933-G2959 WeakPolarHBondContact O-CA 3.37Å |
| 2934 | S | 82.1 | Confident | 89.2 | Confident | 34 Ų | 34 | 29.2 Ų | 29.2 | 24% | 0.238 | 17% | 0.17 | C | C | . | . | trans | -141.3 | 144.6 | 178.2 | 112 | 0 | 0 | 0 | 0 | 113.7 | R2932 G2959 D2961 | R2932-S2934 WeakPolarHBondContact CD-O 3.37Å; R2932-S2934 VanDerWaalsContact CG-O 3.3Å; R2932-S2934 WeakPolarHBondContact CG-O 3.38Å; R2932-S2934 PolarHBondContact NE-O 3.08Å; S2934-G2959 CarbonylContact C-O 3.34Å; S2934-G2959 VanDerWaalsContact CA-O 3.24Å; S2934-G2959 WeakPolarHBondContact CA-O 3.38Å; S2934-G2959 VanDerWaalsContact CB-O 3.31Å; S2934-G2959 WeakPolarHBondContact CB-O 3.19Å; S2934-G2959 PolarHBondContact OG-O 3.3Å; S2934-D2961 VanDerWaalsContact CB-OD2 3.3Å; S2934-D2961 WeakPolarHBondContact CB-OD2 3.29Å; S2934-D2961 PolarHBondContact OG-OD2 3.18Å | ||
| 2935 | F | 81.3 | Confident | 89 | Confident | 0.2 Ų | 0.2 | 28.4 Ų | 28.4 | 0% | 0.001 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -133.4 | 129.4 | -173.6 | -57.5 | -79 | 0 | 0 | 0 | 110.8 | P2882 L2885 W2929 R2932 L2938 M2958 G2959 M2960 | P2882-F2935 HydrophobicContact CG-CD1 4.4Å; P2882-F2935 HydrophobicContact CG-CE1 4.39Å; L2885-F2935 HydrophobicContact CD1-CE1 3.96Å; L2885-F2935 HydrophobicContact CD1-CZ 4.47Å; L2885-F2935 HydrophobicContact CD2-CE1 3.99Å; L2885-F2935 HydrophobicContact CD2-CZ 4.26Å; L2885-F2935 HydrophobicContact CG-CE1 4.45Å; W2929-F2935 HydrophobicContact CE3-CE1 4.49Å; W2929-F2935 HydrophobicContact CE3-CE2 4.47Å; W2929-F2935 AromaticContact CE3-CZ 3.85Å; W2929-F2935 HydrophobicContact CE3-CZ 3.85Å; W2929-F2935 HydrophobicContact CZ3-CZ 4.31Å; R2932-F2935 HydrophobicContact CB-CE1 4.17Å; R2932-F2935 HydrophobicContact CB-CZ 4.22Å; R2932-F2935 HydrophobicContact CG-CE1 4.2Å; R2932-F2935 HydrophobicContact CG-CZ 4.41Å; R2932-F2935 WeakPolarHBondContact O-CZ 3.26Å; F2935-L2938 HydrophobicContact CB-CB 4.33Å; F2935-L2938 HydrophobicContact CD1-CB 4.35Å; F2935-L2938 HydrophobicContact CD1-CD1 4.15Å; F2935-L2938 HydrophobicContact CE1-CD1 4.17Å; F2935-L2938 HydrophobicContact CG-CB 4.37Å; F2935-M2958 WeakPolarHBondContact CD2-O 3.37Å; F2935-G2959 PolarHBondContact N-O 3.15Å; F2935-M2960 HydrophobicContact CB-SD 3.56Å; F2935-M2960 VanDerWaalsContact CB-SD 3.54Å; F2935-M2960 HydrophobicContact CG-SD 4.43Å |
| 2936 | T | 77.9 | Confident | 88.8 | Confident | 35.2 Ų | 35.2 | 28.8 Ų | 28.8 | 22% | 0.216 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -92.6 | -39.1 | 162.5 | -33.9 | 0 | 0 | 0 | 0 | 110.9 | I2962 K3026 I3162 | T2936-I2962 HydrophobicContact CG2-CB 4.33Å; T2936-I2962 HydrophobicContact CG2-CD1 4.09Å; T2936-I2962 HydrophobicContact CG2-CG1 4.3Å; T2936-K3026 HydrophobicContact CG2-CB 4.32Å; T2936-K3026 HydrophobicContact CG2-CD 4.4Å; T2936-I3162 HydrophobicContact CG2-CD1 3.52Å; T2936-I3162 HydrophobicContact CG2-CG1 4.31Å |
| 2937 | N | 83.3 | Confident | 88.6 | Confident | 50.4 Ų | 50.4 | 27.3 Ų | 27.3 | 27% | 0.27 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -128 | 136.2 | 172 | -46.1 | -23.9 | 0 | 0 | 0 | 108.4 | F3024 Y3025 K3026 | N2937-F3024 CarbonylContact C-O 3.55Å; N2937-F3024 VanDerWaalsContact CA-O 3.25Å; N2937-F3024 WeakPolarHBondContact CA-O 3.26Å; N2937-Y3025 VanDerWaalsContact OD1-CA 3.23Å; N2937-Y3025 WeakPolarHBondContact OD1-CA 3.4Å; N2937-Y3025 WeakPolarHBondContact OD1-CB 3.26Å; N2937-K3026 PolarHBondContact OD1-N 2.93Å |
| 2938 | L | 90.4 | Very high | 88.4 | Confident | 0.6 Ų | 0.6 | 31 Ų | 31 | 0% | 0.003 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 126.2 | 173.2 | 175.4 | 64.8 | 0 | 0 | 0 | 107.9 | N2881 L2885 W2929 F2935 Y2940 H2957 M2960 F3024 | N2881-L2938 WeakPolarHBondContact O-CA 3.2Å; N2881-L2938 WeakPolarHBondContact O-CD1 3.3Å; L2885-L2938 HydrophobicContact CD1-CD1 3.95Å; W2929-L2938 HydrophobicContact CH2-CD1 4.07Å; W2929-L2938 HydrophobicContact CH2-CD2 4.43Å; W2929-L2938 HydrophobicContact CZ3-CD1 3.88Å; W2929-L2938 HydrophobicContact CZ3-CD2 4.07Å; F2935-L2938 HydrophobicContact CB-CB 4.33Å; F2935-L2938 HydrophobicContact CD1-CB 4.35Å; F2935-L2938 HydrophobicContact CD1-CD1 4.15Å; F2935-L2938 HydrophobicContact CE1-CD1 4.17Å; F2935-L2938 HydrophobicContact CG-CB 4.37Å; L2938-Y2940 HydrophobicContact CD1-CD1 4.4Å; L2938-Y2940 HydrophobicContact CD2-CE1 4.38Å; L2938-Y2940 HydrophobicContact CG-CD1 4.36Å; L2938-Y2940 HydrophobicContact CG-CE1 4.43Å; L2938-H2957 HydrophobicContact CD2-CB 4Å; L2938-M2960 HydrophobicContact CB-SD 4.49Å; L2938-F3024 HydrophobicContact CB-CD2 4.23Å; L2938-F3024 HydrophobicContact CD2-CD2 4.29Å; L2938-F3024 HydrophobicContact CD2-CE2 4.46Å; L2938-F3024 HydrophobicContact CG-CD2 4.48Å; L2938-F3024 PolarHBondContact N-O 3.13Å; L2938-F3024 PolarHBondContact O-N 3.12Å |
| 2939 | S | 92.3 | Very high | 88.1 | Confident | 32 Ų | 32 | 36.6 Ų | 36.6 | 22% | 0.224 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 145.7 | 173 | 65.3 | 0 | 0 | 0 | 0 | 111.3 | A2880 N2881 V3022 | A2880-S2939 CarbonylContact C-O 3.56Å; A2880-S2939 VanDerWaalsContact CA-O 3.31Å; A2880-S2939 WeakPolarHBondContact CA-O 3.31Å; N2881-S2939 VanDerWaalsContact CB-OG 3.28Å; N2881-S2939 WeakPolarHBondContact CB-OG 3.32Å; N2881-S2939 PolarHBondContact N-O 2.96Å; N2881-S2939 PolarHBondContact O-N 3.09Å; N2881-S2939 VanDerWaalsContact O-N 3.12Å; S2939-V3022 CarbonylContact C-O 3.57Å; S2939-V3022 WeakPolarHBondContact CA-O 3.28Å; S2939-V3022 VanDerWaalsContact CB-O 3.3Å; S2939-V3022 WeakPolarHBondContact CB-O 3.39Å |
| 2940 | Y | 93.9 | Very high | 88.1 | Confident | 3.8 Ų | 3.8 | 41 Ų | 41 | 2% | 0.015 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 160.5 | 173.2 | 57.3 | -96.8 | 0 | 0 | 0 | 110.9 | Y2875 V2877 D2878 W2929 L2938 H2957 Y3004 L3020 V3022 | Y2875-Y2940 PolarHBondContact OH-OH 3.04Å; Y2875-Y2940 VanDerWaalsContact OH-OH 3.13Å; V2877-Y2940 HydrophobicContact CB-CD2 4.45Å; V2877-Y2940 HydrophobicContact CG1-CD1 4.39Å; V2877-Y2940 HydrophobicContact CG1-CD2 3.64Å; V2877-Y2940 HydrophobicContact CG1-CE2 4.26Å; V2877-Y2940 HydrophobicContact CG1-CG 3.71Å; V2877-Y2940 HydrophobicContact CG2-CD2 4.27Å; V2877-Y2940 HydrophobicContact CG2-CE2 4.14Å; D2878-Y2940 WeakPolarHBondContact O-CB 3.32Å; W2929-Y2940 HydrophobicContact CH2-CD1 4.24Å; W2929-Y2940 HydrophobicContact CH2-CE1 4.2Å; L2938-Y2940 HydrophobicContact CD1-CD1 4.4Å; L2938-Y2940 HydrophobicContact CD2-CE1 4.38Å; L2938-Y2940 HydrophobicContact CG-CD1 4.36Å; L2938-Y2940 HydrophobicContact CG-CE1 4.43Å; Y2940-H2957 AromaticContact CE1-CE1 3.77Å; Y2940-H2957 AromaticContact CE1-NE2 3.51Å; Y2940-H2957 WeakPolarHBondContact CE1-NE2 3.42Å; Y2940-H2957 AromaticContact CZ-CE1 3.98Å; Y2940-H2957 AromaticContact CZ-NE2 3.62Å; Y2940-H2957 PolarHBondContact OH-CE1 2.92Å; Y2940-H2957 PolarHBondContact OH-NE2 3.1Å; Y2940-Y3004 VanDerWaalsContact OH-CE1 3.27Å; Y2940-Y3004 WeakPolarHBondContact OH-CE1 3.38Å; Y2940-Y3004 PolarHBondContact OH-OH 3.1Å; Y2940-L3020 HydrophobicContact CE2-CD1 4.37Å; Y2940-V3022 HydrophobicContact CD1-CB 4Å; Y2940-V3022 HydrophobicContact CD1-CG1 4.04Å; Y2940-V3022 HydrophobicContact CD2-CB 3.95Å; Y2940-V3022 HydrophobicContact CD2-CG2 4.12Å; Y2940-V3022 HydrophobicContact CE1-CB 3.77Å; Y2940-V3022 HydrophobicContact CE1-CG1 3.58Å; Y2940-V3022 HydrophobicContact CE1-CG2 4.16Å; Y2940-V3022 HydrophobicContact CE2-CB 3.72Å; Y2940-V3022 HydrophobicContact CE2-CG1 4.4Å; Y2940-V3022 HydrophobicContact CE2-CG2 3.47Å; Y2940-V3022 VanDerWaalsContact CE2-CG2 3.45Å; Y2940-V3022 HydrophobicContact CG-CB 4.1Å; Y2940-V3022 VanDerWaalsContact CZ-CG2 3.48Å; Y2940-V3022 PolarHBondContact N-O 3.15Å; Y2940-V3022 PolarHBondContact O-N 3.22Å |
| 2941 | I | 93 | Very high | 88.5 | Confident | 14.8 Ų | 14.8 | 37 Ų | 37 | 8% | 0.076 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 147.8 | 166.2 | -48.3 | -179.5 | 0 | 0 | 0 | 107.8 | V2877 D2878 Q2879 Y2943 L3020 W3021 | V2877-I2941 CarbonylContact C-O 3.51Å; V2877-I2941 WeakPolarHBondContact CA-O 3.37Å; D2878-I2941 HydrophobicContact CB-CG1 4.06Å; D2878-I2941 PolarHBondContact N-O 2.92Å; D2878-I2941 WeakPolarHBondContact O-CG1 3.42Å; D2878-I2941 PolarHBondContact O-N 3.33Å; Q2879-I2941 HydrophobicContact CB-CB 4.48Å; Q2879-I2941 HydrophobicContact CB-CD1 4.4Å; Q2879-I2941 HydrophobicContact CB-CG1 4.27Å; Q2879-I2941 VanDerWaalsContact CD-CD1 3.43Å; Q2879-I2941 HydrophobicContact CG-CD1 4.17Å; Q2879-I2941 HydrophobicContact CG-CG1 4.02Å; I2941-Y2943 HydrophobicContact CG2-CE2 4.42Å; I2941-L3020 WeakPolarHBondContact CA-O 3.38Å; I2941-W3021 HydrophobicContact CG2-CD2 4.32Å; I2941-W3021 HydrophobicContact CG2-CE3 4.29Å |
| 2942 | G | 92.5 | Very high | 89.4 | Confident | 0.2 Ų | 0.2 | 37.9 Ų | 37.9 | 0% | 0.002 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 179.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S2876 R3019 L3020 | S2876-G2942 CarbonylContact O-C 3.51Å; S2876-G2942 WeakPolarHBondContact O-CA 3.25Å; G2942-R3019 CarbonylContact O-C 3.55Å; G2942-L3020 PolarHBondContact N-O 2.94Å; G2942-L3020 VanDerWaalsContact N-O 3.09Å; G2942-L3020 PolarHBondContact O-N 3.03Å |
| 2943 | Y | 93.1 | Very high | 90.2 | Very high | 44 Ų | 44 | 35 Ų | 35 | 17% | 0.173 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 134.4 | 174.6 | -62.9 | -97.1 | 0 | 0 | 0 | 109.8 | Y2875 S2876 T2910 D2911 I2941 Y3018 R3019 | Y2875-Y2943 CarbonylContact C-O 3.53Å; Y2875-Y2943 WeakPolarHBondContact CA-O 3.29Å; S2876-Y2943 PolarHBondContact N-O 3.04Å; S2876-Y2943 PolarHBondContact O-N 3.02Å; S2876-Y2943 WeakPolarHBondContact OG-CB 3.44Å; S2876-Y2943 PolarHBondContact OG-N 3.15Å; S2876-Y2943 PolarHBondContact OG-O 2.98Å; T2910-Y2943 HydrophobicContact CG2-CD1 4.14Å; T2910-Y2943 HydrophobicContact CG2-CD2 3.26Å; T2910-Y2943 HydrophobicContact CG2-CE1 4.3Å; T2910-Y2943 HydrophobicContact CG2-CE2 3.51Å; T2910-Y2943 HydrophobicContact CG2-CG 3.62Å; D2911-Y2943 VanDerWaalsContact OD1-CE2 3.22Å; D2911-Y2943 WeakPolarHBondContact OD1-CE2 3.43Å; D2911-Y2943 WeakPolarHBondContact OD2-CD2 3.25Å; D2911-Y2943 WeakPolarHBondContact OD2-CE2 3.17Å; I2941-Y2943 HydrophobicContact CG2-CE2 4.42Å; Y2943-Y3018 VanDerWaalsContact CA-O 3.28Å; Y2943-Y3018 WeakPolarHBondContact CA-O 3.3Å; Y2943-R3019 HydrophobicContact CD1-CB 4.23Å; Y2943-R3019 HydrophobicContact CD1-CG 4.36Å; Y2943-R3019 HydrophobicContact CE1-CB 3.9Å; Y2943-R3019 HydrophobicContact CE1-CG 3.77Å; Y2943-R3019 PolarHBondContact OH-NE 2.91Å |
| 2944 | L | 94 | Very high | 91 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 117 | 167.7 | -88.2 | 169.2 | 0 | 0 | 0 | 108.2 | L2873 R2874 Y2875 L2919 F2947 V2953 I2955 Y3004 V3006 Y3018 L3020 | L2873-L2944 HydrophobicContact CB-CD2 4.48Å; R2874-L2944 VanDerWaalsContact O-CA 3.29Å; R2874-L2944 WeakPolarHBondContact O-CA 3.22Å; Y2875-L2944 HydrophobicContact CD2-CD1 4.37Å; Y2875-L2944 HydrophobicContact CD2-CD2 3.6Å; Y2875-L2944 VanDerWaalsContact CD2-CD2 3.44Å; Y2875-L2944 HydrophobicContact CD2-CG 3.69Å; Y2875-L2944 HydrophobicContact CE2-CD1 4.46Å; Y2875-L2944 HydrophobicContact CE2-CD2 4.36Å; Y2875-L2944 HydrophobicContact CE2-CG 4.3Å; Y2875-L2944 HydrophobicContact CG-CD2 3.85Å; L2919-L2944 HydrophobicContact CD1-CD2 4.11Å; L2944-F2947 HydrophobicContact CB-CE2 3.8Å; L2944-F2947 HydrophobicContact CB-CZ 4.15Å; L2944-F2947 HydrophobicContact CD2-CE2 4.44Å; L2944-F2947 HydrophobicContact CD2-CZ 4.2Å; L2944-V2953 HydrophobicContact CD1-CG1 3.9Å; L2944-V2953 HydrophobicContact CD2-CG1 4.31Å; L2944-I2955 HydrophobicContact CD1-CG1 4.42Å; L2944-Y3004 HydrophobicContact CD1-CE2 4.33Å; L2944-V3006 HydrophobicContact CD1-CB 4.02Å; L2944-V3006 HydrophobicContact CD1-CG1 4.24Å; L2944-V3006 HydrophobicContact CD1-CG2 3.81Å; L2944-Y3018 PolarHBondContact N-O 3.28Å; L2944-Y3018 PolarHBondContact O-N 2.86Å; L2944-L3020 HydrophobicContact CB-CD1 4.28Å; L2944-L3020 HydrophobicContact CB-CD2 4.24Å; L2944-L3020 HydrophobicContact CB-CG 4.36Å; L2944-L3020 HydrophobicContact CD1-CD1 3.84Å; L2944-L3020 HydrophobicContact CD1-CD2 4.23Å; L2944-L3020 HydrophobicContact CD1-CG 4.41Å; L2944-L3020 HydrophobicContact CG-CD1 4Å |
| 2945 | E | 93.3 | Very high | 91.8 | Very high | 14.6 Ų | 14.6 | 28.8 Ų | 28.8 | 7% | 0.068 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 162.5 | -166.9 | -37.9 | -170.4 | 86.6 | 0 | 0 | 112.8 | L2873 R2874 F3015 N3016 S3017 | L2873-E2945 CarbonylContact C-O 3.54Å; L2873-E2945 VanDerWaalsContact CA-O 3.24Å; L2873-E2945 WeakPolarHBondContact CA-O 3.33Å; L2873-E2945 WeakPolarHBondContact CD2-O 3.36Å; R2874-E2945 HydrophobicContact CB-CB 4.23Å; R2874-E2945 HydrophobicContact CB-CG 4.48Å; R2874-E2945 WeakPolarHBondContact CD-OE2 3.33Å; R2874-E2945 IonicContact CZ-OE2 3.17Å; R2874-E2945 PolarHBondContact N-O 3.26Å; R2874-E2945 VanDerWaalsContact N-O 3.13Å; R2874-E2945 IonicContact NE-OE2 3.44Å; R2874-E2945 IonicContact NH1-OE2 3.46Å; R2874-E2945 PolarHBondContact NH1-OE2 2.97Å; R2874-E2945 PolarHBondContact O-N 3.25Å; E2945-F3015 HydrophobicContact CB-CE1 4.47Å; E2945-F3015 HydrophobicContact CB-CE2 4.19Å; E2945-F3015 HydrophobicContact CB-CZ 3.69Å; E2945-F3015 HydrophobicContact CG-CZ 4.39Å; E2945-N3016 CarbonylContact C-O 3.56Å; E2945-N3016 VanDerWaalsContact CA-O 3.27Å; E2945-N3016 WeakPolarHBondContact CA-O 3.33Å; E2945-S3017 VanDerWaalsContact CG-OG 3.3Å; E2945-S3017 WeakPolarHBondContact CG-OG 3.25Å; E2945-S3017 WeakPolarHBondContact OE1-CB 3.27Å; E2945-S3017 PolarHBondContact OE1-OG 2.93Å |
| 2946 | N | 93.3 | Very high | 92.5 | Very high | 8.4 Ų | 8.4 | 30.2 Ų | 30.2 | 5% | 0.045 | 15% | 0.152 | C | C | . | . | trans | 75.4 | 29.4 | 177.5 | -157.6 | 43 | 0 | 0 | 0 | 115.8 | E2783 T2871 A2872 L2873 R2948 F3015 N3016 | E2783-N2946 VanDerWaalsContact CD-ND2 3.31Å; E2783-N2946 PolarHBondContact OE1-ND2 3.01Å; E2783-N2946 PolarHBondContact OE1-OD1 3.41Å; T2871-N2946 WeakPolarHBondContact CG2-O 3.17Å; A2872-N2946 WeakPolarHBondContact O-CB 3.4Å; A2872-N2946 PolarHBondContact O-ND2 2.94Å; L2873-N2946 WeakPolarHBondContact CD2-O 3.43Å; N2946-R2948 PolarHBondContact O-N 3.03Å; N2946-F3015 HydrophobicContact CB-CD2 4.34Å; N2946-F3015 HydrophobicContact CB-CE2 3.98Å; N2946-N3016 PolarHBondContact N-O 3.4Å | ||
| 2947 | F | 94.1 | Very high | 93.4 | Very high | 2.2 Ų | 2.2 | 28.5 Ų | 28.5 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | trans | -66.8 | 132.7 | 174.3 | -70 | -95.5 | 0 | 0 | 0 | 111.9 | L2873 L2944 D2951 V2953 V3006 A3008 N3016 Y3018 | L2873-F2947 HydrophobicContact CD1-CD1 4.29Å; L2873-F2947 HydrophobicContact CD1-CE1 3.81Å; L2873-F2947 HydrophobicContact CD1-CZ 4.08Å; L2873-F2947 HydrophobicContact CD2-CB 4.47Å; L2873-F2947 HydrophobicContact CD2-CD1 4Å; L2873-F2947 HydrophobicContact CD2-CD2 4.21Å; L2873-F2947 HydrophobicContact CD2-CE1 4.24Å; L2873-F2947 HydrophobicContact CD2-CE2 4.42Å; L2873-F2947 HydrophobicContact CD2-CG 3.98Å; L2873-F2947 HydrophobicContact CD2-CZ 4.42Å; L2944-F2947 HydrophobicContact CB-CE2 3.8Å; L2944-F2947 HydrophobicContact CB-CZ 4.15Å; L2944-F2947 HydrophobicContact CD2-CE2 4.44Å; L2944-F2947 HydrophobicContact CD2-CZ 4.2Å; F2947-D2951 HydrophobicContact CB-CB 4.48Å; F2947-D2951 HydrophobicContact CD1-CB 3.93Å; F2947-V2953 HydrophobicContact CE1-CG1 4.29Å; F2947-V2953 HydrophobicContact CZ-CG1 4.06Å; F2947-V3006 HydrophobicContact CE1-CG1 4.24Å; F2947-V3006 WeakPolarHBondContact CE1-O 3.48Å; F2947-V3006 HydrophobicContact CE2-CG1 3.9Å; F2947-V3006 HydrophobicContact CZ-CB 4.03Å; F2947-V3006 HydrophobicContact CZ-CG1 3.51Å; F2947-V3006 VanDerWaalsContact CZ-CG1 3.48Å; F2947-A3008 HydrophobicContact CB-CB 4.05Å; F2947-A3008 HydrophobicContact CD1-CB 4.36Å; F2947-N3016 HydrophobicContact CB-CB 4.21Å; F2947-N3016 PolarHBondContact N-O 3.01Å; F2947-N3016 PolarHBondContact O-ND2 3.19Å; F2947-Y3018 AromaticContact CD2-CD2 3.78Å; F2947-Y3018 HydrophobicContact CD2-CD2 3.78Å; F2947-Y3018 AromaticContact CD2-CE2 3.9Å; F2947-Y3018 HydrophobicContact CD2-CE2 3.9Å; F2947-Y3018 AromaticContact CE2-CD2 3.66Å; F2947-Y3018 HydrophobicContact CE2-CD2 3.66Å; F2947-Y3018 HydrophobicContact CE2-CE2 4.11Å; F2947-Y3018 HydrophobicContact CG-CE2 4.37Å; F2947-Y3018 HydrophobicContact CZ-CD2 4.47Å | ||
| 2948 | R | 90.9 | Very high | 93.9 | Very high | 77.6 Ų | 77.6 | 29.2 Ų | 29.2 | 29% | 0.293 | 14% | 0.144 | S | C | . | . | trans | -102.7 | 176.1 | 168.1 | -57.8 | -179.4 | 175.4 | 161.5 | -5.5 | 110.9 | E2783 R2809 T2871 N2946 S2950 D2951 A3008 | E2783-R2948 VanDerWaalsContact CD-NH2 3.25Å; E2783-R2948 IonicContact OE1-CZ 3.01Å; E2783-R2948 IonicContact OE1-NE 2.82Å; E2783-R2948 IonicContact OE1-NH1 3.66Å; E2783-R2948 IonicContact OE1-NH2 3.44Å; E2783-R2948 PolarHBondContact OE1-NH2 2.92Å; E2783-R2948 IonicContact OE2-CZ 3.4Å; E2783-R2948 IonicContact OE2-NH1 3.99Å; E2783-R2948 PolarHBondContact OE2-NH1 2.94Å; E2783-R2948 IonicContact OE2-NH2 3.14Å; E2783-R2948 PolarHBondContact OE2-NH2 3.06Å; E2783-R2948 VanDerWaalsContact OE2-NH2 3.07Å; R2809-R2948 VanDerWaalsContact CZ-CZ 3.47Å; R2809-R2948 VanDerWaalsContact CZ-NH2 3.27Å; R2809-R2948 VanDerWaalsContact NH2-NH2 3.15Å; T2871-R2948 HydrophobicContact CG2-CG 4.08Å; T2871-R2948 VanDerWaalsContact CG2-NH1 3.34Å; T2871-R2948 WeakPolarHBondContact OG1-CD 3.21Å; T2871-R2948 PolarHBondContact OG1-NH1 2.83Å; N2946-R2948 PolarHBondContact O-N 3.03Å; R2948-S2950 PolarHBondContact O-N 3.08Å; R2948-D2951 WeakPolarHBondContact CA-OD2 3.32Å; R2948-D2951 VanDerWaalsContact CB-OD2 3.26Å; R2948-D2951 WeakPolarHBondContact CB-OD2 3.29Å; R2948-D2951 PolarHBondContact N-OD2 2.98Å; R2948-D2951 VanDerWaalsContact O-CB 3.3Å; R2948-D2951 WeakPolarHBondContact O-CB 3.43Å; R2948-D2951 PolarHBondContact O-N 3.17Å; R2948-D2951 VanDerWaalsContact O-N 3.1Å; R2948-A3008 WeakPolarHBondContact O-CB 3.31Å | ||
| 2949 | Q | 89.8 | Confident | 93.9 | Very high | 141 Ų | 141 | 29.8 Ų | 29.8 | 66% | 0.659 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 130.9 | -178.4 | -168.8 | 172.7 | 13 | 0 | 0 | 111.8 | D2951 P3012 | Q2949-D2951 PolarHBondContact O-N 3.09Å; Q2949-P3012 HydrophobicContact CB-CG 3.86Å; Q2949-P3012 HydrophobicContact CG-CG 4.36Å |
| 2950 | S | 90.7 | Very high | 93.8 | Very high | 97.8 Ų | 97.8 | 28.3 Ų | 28.3 | 68% | 0.684 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.1 | 1.7 | -178.3 | -48.2 | 0 | 0 | 0 | 0 | 116.2 | N2922 R2948 | N2922-S2950 PolarHBondContact OD1-O 3.27Å; R2948-S2950 PolarHBondContact O-N 3.08Å |
| 2951 | D | 94.9 | Very high | 93.3 | Very high | 7.4 Ų | 7.4 | 31.2 Ų | 31.2 | 4% | 0.04 | 16% | 0.156 | C | C | . | . | trans | -67.9 | 139.5 | 176.2 | -72.5 | -15.1 | 0 | 0 | 0 | 111.2 | T2871 N2921 N2922 F2947 R2948 Q2949 K3007 A3008 | T2871-D2951 VanDerWaalsContact CB-OD2 3.26Å; T2871-D2951 WeakPolarHBondContact CB-OD2 3.3Å; T2871-D2951 VanDerWaalsContact CG2-OD2 3.31Å; T2871-D2951 WeakPolarHBondContact CG2-OD2 3.34Å; T2871-D2951 PolarHBondContact OG1-OD2 2.99Å; N2921-D2951 HydrophobicContact CB-CB 3.89Å; N2921-D2951 WeakPolarHBondContact CB-OD1 3.34Å; N2921-D2951 PolarHBondContact ND2-OD1 2.99Å; N2922-D2951 WeakPolarHBondContact OD1-CA 3.44Å; F2947-D2951 HydrophobicContact CB-CB 4.48Å; F2947-D2951 HydrophobicContact CD1-CB 3.93Å; R2948-D2951 WeakPolarHBondContact CA-OD2 3.32Å; R2948-D2951 VanDerWaalsContact CB-OD2 3.26Å; R2948-D2951 WeakPolarHBondContact CB-OD2 3.29Å; R2948-D2951 PolarHBondContact N-OD2 2.98Å; R2948-D2951 VanDerWaalsContact O-CB 3.3Å; R2948-D2951 WeakPolarHBondContact O-CB 3.43Å; R2948-D2951 PolarHBondContact O-N 3.17Å; R2948-D2951 VanDerWaalsContact O-N 3.1Å; Q2949-D2951 PolarHBondContact O-N 3.09Å; D2951-K3007 CarbonylContact O-C 3.52Å; D2951-K3007 VanDerWaalsContact O-CA 3.27Å; D2951-K3007 WeakPolarHBondContact O-CA 3.35Å; D2951-A3008 WeakPolarHBondContact O-CB 3.32Å; D2951-A3008 PolarHBondContact O-N 2.94Å | ||
| 2952 | Y | 96.1 | Very high | 92.8 | Very high | 65.6 Ų | 65.6 | 33.3 Ų | 33.3 | 26% | 0.257 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 164.9 | 167.9 | 70.9 | -90.8 | 0 | 0 | 0 | 112.2 | N2921 N2922 I2954 P2985 L3005 V3006 | N2921-Y2952 CarbonylContact C-O 3.53Å; N2922-Y2952 WeakPolarHBondContact CA-O 3.2Å; N2922-Y2952 HydrophobicContact CB-CD1 4.31Å; N2922-Y2952 HydrophobicContact CB-CE1 3.76Å; N2922-Y2952 PolarHBondContact N-O 3.19Å; N2922-Y2952 WeakPolarHBondContact OD1-CD1 3.34Å; N2922-Y2952 VanDerWaalsContact OD1-CE1 3.3Å; N2922-Y2952 WeakPolarHBondContact OD1-CE1 3.26Å; N2922-Y2952 PolarHBondContact OD1-N 3.07Å; N2922-Y2952 VanDerWaalsContact OD1-N 3.13Å; Y2952-I2954 HydrophobicContact CD2-CG1 4.43Å; Y2952-P2985 HydrophobicContact CD1-CB 3.81Å; Y2952-P2985 HydrophobicContact CD1-CG 4.1Å; Y2952-P2985 HydrophobicContact CD2-CB 3.88Å; Y2952-P2985 HydrophobicContact CD2-CG 3.43Å; Y2952-P2985 VanDerWaalsContact CD2-CG 3.45Å; Y2952-P2985 HydrophobicContact CE1-CB 4.08Å; Y2952-P2985 HydrophobicContact CE1-CG 4.04Å; Y2952-P2985 HydrophobicContact CE2-CB 4.16Å; Y2952-P2985 HydrophobicContact CE2-CG 3.38Å; Y2952-P2985 VanDerWaalsContact CE2-CG 3.4Å; Y2952-P2985 HydrophobicContact CG-CB 3.7Å; Y2952-P2985 HydrophobicContact CG-CG 3.82Å; Y2952-L3005 HydrophobicContact CD2-CD1 4.16Å; Y2952-L3005 HydrophobicContact CG-CD1 4.42Å; Y2952-V3006 CarbonylContact C-O 3.5Å; Y2952-V3006 VanDerWaalsContact CA-O 3.32Å; Y2952-V3006 WeakPolarHBondContact CA-O 3.31Å |
| 2953 | V | 97.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 140.4 | 167.5 | 69.6 | 0 | 0 | 0 | 0 | 109.2 | L2873 L2919 Y2925 L2944 F2947 I2955 V3006 | L2873-V2953 HydrophobicContact CD1-CB 4.07Å; L2873-V2953 HydrophobicContact CD1-CG1 4.29Å; L2919-V2953 HydrophobicContact CD1-CG2 4.13Å; Y2925-V2953 HydrophobicContact CD2-CG2 3.68Å; Y2925-V2953 HydrophobicContact CE2-CG2 4.12Å; L2944-V2953 HydrophobicContact CD1-CG1 3.9Å; L2944-V2953 HydrophobicContact CD2-CG1 4.31Å; F2947-V2953 HydrophobicContact CE1-CG1 4.29Å; F2947-V2953 HydrophobicContact CZ-CG1 4.06Å; V2953-I2955 HydrophobicContact CG1-CD1 4.44Å; V2953-I2955 HydrophobicContact CG2-CD1 3.87Å; V2953-V3006 HydrophobicContact CG1-CB 4.27Å; V2953-V3006 PolarHBondContact N-O 3.17Å; V2953-V3006 PolarHBondContact O-N 3.02Å |
| 2954 | I | 97.8 | Very high | 92.5 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 5% | 0.046 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 126.2 | 170.4 | -61.7 | 172.3 | 0 | 0 | 0 | 107.7 | R2923 T2924 Y2925 Y2952 L2983 P2985 E3003 Y3004 L3005 | R2923-I2954 PolarHBondContact O-N 2.78Å; R2923-I2954 VanDerWaalsContact O-N 3.1Å; T2924-I2954 CarbonylContact C-O 3.42Å; T2924-I2954 WeakPolarHBondContact CA-O 3.34Å; T2924-I2954 HydrophobicContact CG2-CB 4.05Å; T2924-I2954 HydrophobicContact CG2-CG2 3.95Å; Y2925-I2954 PolarHBondContact N-O 3.02Å; Y2952-I2954 HydrophobicContact CD2-CG1 4.43Å; I2954-L2983 HydrophobicContact CD1-CB 4.11Å; I2954-L2983 HydrophobicContact CG2-CD1 4.13Å; I2954-P2985 HydrophobicContact CD1-CG 4.16Å; I2954-E3003 HydrophobicContact CG2-CB 3.9Å; I2954-E3003 HydrophobicContact CG2-CG 4.27Å; I2954-Y3004 WeakPolarHBondContact CA-O 3.31Å; I2954-L3005 HydrophobicContact CG1-CD1 3.92Å |
| 2955 | I | 97.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123.3 | 176.5 | -55.4 | -59.9 | 0 | 0 | 0 | 108.5 | L2919 Y2925 V2927 L2944 V2953 E3003 Y3004 | L2919-I2955 HydrophobicContact CD1-CD1 3.61Å; Y2925-I2955 CarbonylContact O-C 3.56Å; Y2925-I2955 WeakPolarHBondContact O-CA 3.44Å; V2927-I2955 HydrophobicContact CB-CG2 4.06Å; V2927-I2955 HydrophobicContact CG2-CD1 4.46Å; V2927-I2955 HydrophobicContact CG2-CG2 3.76Å; L2944-I2955 HydrophobicContact CD1-CG1 4.42Å; V2953-I2955 HydrophobicContact CG1-CD1 4.44Å; V2953-I2955 HydrophobicContact CG2-CD1 3.87Å; I2955-E3003 CarbonylContact O-C 3.56Å; I2955-E3003 WeakPolarHBondContact O-CA 3.33Å; I2955-E3003 WeakPolarHBondContact O-CB 3.29Å; I2955-Y3004 HydrophobicContact CB-CD1 4.16Å; I2955-Y3004 HydrophobicContact CB-CD2 4.4Å; I2955-Y3004 HydrophobicContact CB-CE1 3.59Å; I2955-Y3004 HydrophobicContact CB-CE2 3.84Å; I2955-Y3004 VanDerWaalsContact CB-CZ 3.4Å; I2955-Y3004 WeakPolarHBondContact CB-OH 3.46Å; I2955-Y3004 HydrophobicContact CG1-CE1 4.38Å; I2955-Y3004 HydrophobicContact CG1-CE2 3.83Å; I2955-Y3004 WeakPolarHBondContact CG1-OH 3.3Å; I2955-Y3004 HydrophobicContact CG2-CE1 3.68Å; I2955-Y3004 WeakPolarHBondContact CG2-OH 3.3Å; I2955-Y3004 PolarHBondContact N-O 2.8Å; I2955-Y3004 PolarHBondContact O-N 3.17Å |
| 2956 | R | 97 | Very high | 92.1 | Very high | 29.2 Ų | 29.2 | 40.3 Ų | 40.3 | 11% | 0.11 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 129.5 | -179.9 | -179.2 | 179.6 | -63.2 | 176.6 | 2.2 | 110.6 | Y2925 I2926 V2927 M2958 Y3001 I3002 E3003 | Y2925-R2956 PolarHBondContact O-N 3.19Å; I2926-R2956 CarbonylContact C-O 3.48Å; I2926-R2956 VanDerWaalsContact CA-O 3.31Å; I2926-R2956 WeakPolarHBondContact CA-O 3.34Å; I2926-R2956 HydrophobicContact CG1-CB 4.45Å; V2927-R2956 PolarHBondContact N-O 2.9Å; R2956-M2958 HydrophobicContact CG-SD 4.11Å; R2956-Y3001 HydrophobicContact CG-CD2 3.7Å; R2956-Y3001 HydrophobicContact CG-CE2 4.48Å; R2956-Y3001 HydrophobicContact CG-CG 3.98Å; R2956-I3002 CarbonylContact C-O 3.41Å; R2956-I3002 WeakPolarHBondContact CA-O 3.28Å; R2956-E3003 HydrophobicContact CB-CB 3.95Å; R2956-E3003 HydrophobicContact CG-CB 4.27Å; R2956-E3003 IonicContact CZ-OE2 3.34Å; R2956-E3003 IonicContact NE-OE2 3.12Å; R2956-E3003 PolarHBondContact NE-OE2 3.18Å; R2956-E3003 IonicContact NH2-OE2 3.33Å; R2956-E3003 PolarHBondContact NH2-OE2 2.95Å |
| 2957 | H | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 130.5 | 167.5 | -59.6 | -71.5 | 0 | 0 | 0 | 109.3 | V2927 W2929 L2938 Y2940 Y3001 I3002 Y3004 F3024 | V2927-H2957 PolarHBondContact O-ND1 3Å; W2929-H2957 AromaticContact CH2-CE1 3.94Å; W2929-H2957 AromaticContact CZ3-ND1 3.86Å; L2938-H2957 HydrophobicContact CD2-CB 4Å; Y2940-H2957 AromaticContact CE1-CE1 3.77Å; Y2940-H2957 AromaticContact CE1-NE2 3.51Å; Y2940-H2957 WeakPolarHBondContact CE1-NE2 3.42Å; Y2940-H2957 AromaticContact CZ-CE1 3.98Å; Y2940-H2957 AromaticContact CZ-NE2 3.62Å; Y2940-H2957 PolarHBondContact OH-CE1 2.92Å; Y2940-H2957 PolarHBondContact OH-NE2 3.1Å; H2957-Y3001 VanDerWaalsContact O-CA 3.29Å; H2957-Y3001 WeakPolarHBondContact O-CA 3.35Å; H2957-Y3001 VanDerWaalsContact O-CB 3.31Å; H2957-Y3001 WeakPolarHBondContact O-CB 3.27Å; H2957-I3002 HydrophobicContact CB-CG2 4.08Å; H2957-I3002 PolarHBondContact N-O 2.72Å; H2957-I3002 PolarHBondContact O-N 3.04Å; H2957-Y3004 AromaticContact NE2-CE1 3.74Å; H2957-F3024 AromaticContact CD2-CE2 3.87Å |
| 2958 | M | 94.5 | Very high | 92.2 | Very high | 65.6 Ų | 65.6 | 41 Ų | 41 | 32% | 0.323 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 164.6 | 179 | -60 | -63.3 | -65.8 | 0 | 0 | 110.2 | I2926 N2928 F2935 R2956 M2960 Y3001 | I2926-M2958 HydrophobicContact CG2-CG 3.57Å; I2926-M2958 HydrophobicContact CG2-SD 4.39Å; N2928-M2958 WeakPolarHBondContact ND2-CB 3.35Å; N2928-M2958 WeakPolarHBondContact ND2-CG 3.41Å; N2928-M2958 PolarHBondContact OD1-N 3.26Å; N2928-M2958 PolarHBondContact OD1-O 3.05Å; F2935-M2958 WeakPolarHBondContact CD2-O 3.37Å; R2956-M2958 HydrophobicContact CG-SD 4.11Å; M2958-M2960 VanDerWaalsContact C-N 3.32Å; M2958-M2960 PolarHBondContact O-N 3.1Å; M2958-Y3001 HydrophobicContact SD-CG 4.37Å |
| 2959 | G | 90.5 | Very high | 92.4 | Very high | 12.6 Ų | 12.6 | 37.3 Ų | 37.3 | 13% | 0.13 | 19% | 0.187 | C | C | . | . | trans | 77 | 19.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S2933 S2934 F2935 D2961 K3000 | S2933-G2959 VanDerWaalsContact O-CA 3.28Å; S2933-G2959 WeakPolarHBondContact O-CA 3.37Å; S2934-G2959 CarbonylContact C-O 3.34Å; S2934-G2959 VanDerWaalsContact CA-O 3.24Å; S2934-G2959 WeakPolarHBondContact CA-O 3.38Å; S2934-G2959 VanDerWaalsContact CB-O 3.31Å; S2934-G2959 WeakPolarHBondContact CB-O 3.19Å; S2934-G2959 PolarHBondContact OG-O 3.3Å; F2935-G2959 PolarHBondContact N-O 3.15Å; G2959-D2961 VanDerWaalsContact C-N 3.28Å; G2959-D2961 PolarHBondContact O-N 2.99Å; G2959-K3000 CarbonylContact C-O 3.5Å; G2959-K3000 WeakPolarHBondContact CA-O 3.26Å; G2959-K3000 PolarHBondContact N-O 3.02Å | ||
| 2960 | M | 90.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | B | Isolated β-bridge | trans | -77.6 | 81.8 | 170.5 | -65.2 | -67.9 | -57.2 | 0 | 0 | 108.4 | F2935 L2938 M2958 I2962 P2964 Y2995 K3000 I3002 F3024 | F2935-M2960 HydrophobicContact CB-SD 3.56Å; F2935-M2960 VanDerWaalsContact CB-SD 3.54Å; F2935-M2960 HydrophobicContact CG-SD 4.43Å; L2938-M2960 HydrophobicContact CB-SD 4.49Å; M2958-M2960 VanDerWaalsContact C-N 3.32Å; M2958-M2960 PolarHBondContact O-N 3.1Å; M2960-I2962 PolarHBondContact O-N 3.01Å; M2960-P2964 HydrophobicContact CE-CG 3.44Å; M2960-P2964 VanDerWaalsContact CE-CG 3.45Å; M2960-Y2995 HydrophobicContact CB-CD2 4.4Å; M2960-Y2995 HydrophobicContact CB-CE2 3.96Å; M2960-Y2995 VanDerWaalsContact O-CE2 3.26Å; M2960-Y2995 WeakPolarHBondContact O-CE2 3.35Å; M2960-Y2995 PolarHBondContact O-OH 3.12Å; M2960-Y2995 VanDerWaalsContact O-OH 3.05Å; M2960-K3000 PolarHBondContact N-O 3.12Å; M2960-K3000 CarbonylContact O-C 3.55Å; M2960-K3000 WeakPolarHBondContact O-CA 3.29Å; M2960-I3002 HydrophobicContact CB-CB 4.37Å; M2960-I3002 HydrophobicContact CB-CG2 4.5Å; M2960-I3002 HydrophobicContact CE-CB 4.49Å; M2960-I3002 HydrophobicContact CE-CD1 4.39Å; M2960-I3002 HydrophobicContact CE-CG2 4.27Å; M2960-I3002 HydrophobicContact CG-CB 3.78Å; M2960-I3002 HydrophobicContact CG-CG2 3.46Å; M2960-I3002 VanDerWaalsContact CG-CG2 3.46Å; M2960-I3002 HydrophobicContact SD-CG2 4.01Å; M2960-F3024 HydrophobicContact CE-CB 4.03Å; M2960-F3024 HydrophobicContact CE-CD2 4.43Å |
| 2961 | D | 82.4 | Confident | 92.4 | Very high | 66 Ų | 66 | 30.2 Ų | 30.2 | 35% | 0.353 | 15% | 0.151 | S | C | . | . | trans | -66.6 | -23.4 | -174.6 | -76.9 | -49.5 | 0 | 0 | 0 | 113.3 | S2934 G2959 K3000 | S2934-D2961 VanDerWaalsContact CB-OD2 3.3Å; S2934-D2961 WeakPolarHBondContact CB-OD2 3.29Å; S2934-D2961 PolarHBondContact OG-OD2 3.18Å; G2959-D2961 VanDerWaalsContact C-N 3.28Å; G2959-D2961 PolarHBondContact O-N 2.99Å; D2961-K3000 VanDerWaalsContact OD1-CD 3.28Å; D2961-K3000 WeakPolarHBondContact OD1-CD 3.36Å; D2961-K3000 VanDerWaalsContact OD1-CE 3.32Å; D2961-K3000 WeakPolarHBondContact OD1-CE 3.33Å; D2961-K3000 IonicContact OD1-NZ 3.48Å; D2961-K3000 PolarHBondContact OD1-NZ 3.11Å | ||
| 2962 | I | 82.9 | Confident | 91.9 | Very high | 57.8 Ų | 57.8 | 33.5 Ų | 33.5 | 30% | 0.296 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -127.1 | 132.6 | -176.4 | -55.7 | 175.8 | 0 | 0 | 0 | 108.6 | T2936 M2960 P2964 K3026 F3155 | T2936-I2962 HydrophobicContact CG2-CB 4.33Å; T2936-I2962 HydrophobicContact CG2-CD1 4.09Å; T2936-I2962 HydrophobicContact CG2-CG1 4.3Å; M2960-I2962 PolarHBondContact O-N 3.01Å; I2962-P2964 VanDerWaalsContact O-CD 3.29Å; I2962-P2964 WeakPolarHBondContact O-CD 3.3Å; I2962-K3026 HydrophobicContact CG2-CD 4.08Å; I2962-F3155 HydrophobicContact CD1-CZ 4.3Å |
| 2963 | K | 88.7 | Confident | 91.5 | Very high | 91.8 Ų | 91.8 | 32.1 Ų | 32.1 | 40% | 0.399 | 18% | 0.182 | S | C | . | . | trans | -58 | 122.1 | 173.1 | -174.5 | 174.8 | 177.1 | -179.1 | 0 | 110.1 | P2978 Y2995 | K2963-P2978 HydrophobicContact CG-CG 4.4Å; K2963-Y2995 VanDerWaalsContact CA-CZ 3.49Å; K2963-Y2995 HydrophobicContact CB-CD1 3.7Å; K2963-Y2995 HydrophobicContact CB-CE1 3.43Å; K2963-Y2995 VanDerWaalsContact CB-CE1 3.43Å; K2963-Y2995 HydrophobicContact CB-CE2 4.44Å; K2963-Y2995 HydrophobicContact CB-CG 4.35Å; K2963-Y2995 HydrophobicContact CD-CD1 4Å; K2963-Y2995 HydrophobicContact CD-CE1 4.37Å; K2963-Y2995 HydrophobicContact CG-CD1 3.56Å; K2963-Y2995 HydrophobicContact CG-CE1 3.87Å; K2963-Y2995 HydrophobicContact CG-CG 4.07Å; K2963-Y2995 VanDerWaalsContact N-CZ 3.3Å; K2963-Y2995 PolarHBondContact N-OH 2.91Å | ||
| 2964 | P | 89.7 | Confident | 91 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | trans | -68.3 | 142.1 | 171.8 | -12.2 | 23.5 | 0 | 0 | 0 | 111.3 | M2960 I2962 V2967 P2978 I3002 F3024 | M2960-P2964 HydrophobicContact CE-CG 3.44Å; M2960-P2964 VanDerWaalsContact CE-CG 3.45Å; I2962-P2964 VanDerWaalsContact O-CD 3.29Å; I2962-P2964 WeakPolarHBondContact O-CD 3.3Å; P2964-V2967 HydrophobicContact CB-CG1 3.9Å; P2964-V2967 HydrophobicContact CB-CG2 4.02Å; P2964-V2967 HydrophobicContact CG-CG1 4.36Å; P2964-V2967 HydrophobicContact CG-CG2 3.63Å; P2964-P2978 HydrophobicContact CG-CG 4.28Å; P2964-P2978 WeakPolarHBondContact O-CD 3.49Å; P2964-I3002 HydrophobicContact CG-CD1 3.81Å; P2964-F3024 HydrophobicContact CB-CB 4.31Å; P2964-F3024 HydrophobicContact CG-CB 4.02Å | ||
| 2965 | D | 88.5 | Confident | 90.6 | Very high | 45.2 Ų | 45.2 | 39.3 Ų | 39.3 | 24% | 0.242 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -76.1 | -32.8 | 177.4 | -60.5 | -47 | 0 | 0 | 0 | 111.5 | Q2977 Y3025 K3026 C3027 | D2965-Q2977 WeakPolarHBondContact O-CG 3.34Å; D2965-Q2977 PolarHBondContact O-NE2 2.97Å; D2965-Q2977 PolarHBondContact O-OE1 2.81Å; D2965-Y3025 PolarHBondContact N-O 3.08Å; D2965-Y3025 VanDerWaalsContact N-O 3.09Å; D2965-K3026 WeakPolarHBondContact OD2-CA 3.39Å; D2965-K3026 WeakPolarHBondContact OD2-CG 3.38Å; D2965-C3027 HydrophobicContact CB-CB 4.29Å; D2965-C3027 PolarHBondContact OD2-N 3.1Å |
| 2966 | R | 91.7 | Very high | 90.4 | Very high | 66.6 Ų | 66.6 | 42 Ų | 42 | 25% | 0.251 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 139.1 | 178.7 | -62.5 | -81.8 | -178.1 | -143.5 | -2 | 110.5 | P2975 K2976 Y3025 D3031 C3032 | R2966-P2975 HydrophobicContact CB-CB 3.96Å; R2966-P2975 HydrophobicContact CG-CB 4.43Å; R2966-P2975 PolarHBondContact NH1-O 3.31Å; R2966-K2976 CarbonylContact C-O 3.5Å; R2966-K2976 VanDerWaalsContact CA-O 3.29Å; R2966-K2976 WeakPolarHBondContact CA-O 3.28Å; R2966-Y3025 HydrophobicContact CB-CD1 4.34Å; R2966-Y3025 HydrophobicContact CB-CD2 4.42Å; R2966-Y3025 HydrophobicContact CB-CE1 3.68Å; R2966-Y3025 HydrophobicContact CB-CE2 3.85Å; R2966-Y3025 VanDerWaalsContact CB-CZ 3.42Å; R2966-Y3025 WeakPolarHBondContact CB-OH 3.42Å; R2966-Y3025 HydrophobicContact CG-CE2 4.2Å; R2966-Y3025 PolarHBondContact N-O 3.15Å; R2966-Y3025 VanDerWaalsContact N-O 3.17Å; R2966-Y3025 PolarHBondContact O-N 2.98Å; R2966-Y3025 VanDerWaalsContact O-N 3.1Å; R2966-D3031 PolarHBondContact NH2-O 3.14Å; R2966-D3031 VanDerWaalsContact NH2-O 3.13Å; R2966-D3031 IonicContact NH2-OD1 3.2Å; R2966-C3032 VanDerWaalsContact CG-SG 3.52Å; R2966-C3032 WeakPolarHBondContact CG-SG 3.33Å |
| 2967 | V | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 140.3 | 178.3 | -74.6 | 0 | 0 | 0 | 0 | 110.4 | P2964 V2969 P2975 K2976 P2978 V2993 I3002 S3023 F3024 | P2964-V2967 HydrophobicContact CB-CG1 3.9Å; P2964-V2967 HydrophobicContact CB-CG2 4.02Å; P2964-V2967 HydrophobicContact CG-CG1 4.36Å; P2964-V2967 HydrophobicContact CG-CG2 3.63Å; V2967-V2969 HydrophobicContact CG1-CG2 4Å; V2967-P2975 WeakPolarHBondContact O-CA 3.39Å; V2967-K2976 HydrophobicContact CG2-CG 4.33Å; V2967-K2976 VanDerWaalsContact CG2-O 3.31Å; V2967-K2976 WeakPolarHBondContact CG2-O 3.21Å; V2967-K2976 PolarHBondContact N-O 3.05Å; V2967-K2976 PolarHBondContact O-N 3.09Å; V2967-P2978 HydrophobicContact CG1-CB 4.4Å; V2967-P2978 HydrophobicContact CG1-CG 3.98Å; V2967-P2978 HydrophobicContact CG2-CB 4.38Å; V2967-P2978 HydrophobicContact CG2-CG 4.2Å; V2967-V2993 HydrophobicContact CB-CB 4.26Å; V2967-V2993 HydrophobicContact CB-CG1 4.09Å; V2967-V2993 HydrophobicContact CB-CG2 4.13Å; V2967-V2993 HydrophobicContact CG1-CB 4.42Å; V2967-V2993 HydrophobicContact CG1-CG1 4.1Å; V2967-V2993 HydrophobicContact CG1-CG2 3.68Å; V2967-V2993 HydrophobicContact CG2-CB 3.72Å; V2967-V2993 HydrophobicContact CG2-CG1 4.04Å; V2967-V2993 HydrophobicContact CG2-CG2 3.91Å; V2967-I3002 HydrophobicContact CG1-CD1 3.91Å; V2967-S3023 CarbonylContact C-O 3.55Å; V2967-S3023 VanDerWaalsContact CA-O 3.3Å; V2967-S3023 WeakPolarHBondContact CA-O 3.38Å; V2967-F3024 HydrophobicContact CB-CD1 3.81Å; V2967-F3024 HydrophobicContact CB-CE1 4.25Å; V2967-F3024 HydrophobicContact CG1-CB 4.45Å; V2967-F3024 HydrophobicContact CG1-CD1 3.71Å; V2967-F3024 HydrophobicContact CG1-CE1 4.44Å; V2967-F3024 HydrophobicContact CG1-CG 4.42Å |
| 2968 | Q | 94.4 | Very high | 89.9 | Confident | 26 Ų | 26 | 45.9 Ų | 45.9 | 12% | 0.121 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 141.3 | 174.6 | -173.1 | -176.7 | -4.4 | 0 | 0 | 108.3 | L2970 Q2973 P2975 W3021 V3022 S3023 | Q2968-L2970 PolarHBondContact NE2-O 3.17Å; Q2968-Q2973 VanDerWaalsContact CD-O 3.29Å; Q2968-Q2973 HydrophobicContact CG-CB 4.12Å; Q2968-Q2973 HydrophobicContact CG-CG 4.41Å; Q2968-Q2973 WeakPolarHBondContact CG-O 2.98Å; Q2968-Q2973 PolarHBondContact NE2-O 3.06Å; Q2968-P2975 HydrophobicContact CB-CB 4.43Å; Q2968-P2975 HydrophobicContact CB-CG 4.24Å; Q2968-W3021 CarbonylContact C-O 3.41Å; Q2968-V3022 CarbonylContact O-C 3.51Å; Q2968-V3022 VanDerWaalsContact O-CA 3.3Å; Q2968-V3022 WeakPolarHBondContact O-CA 3.42Å; Q2968-S3023 PolarHBondContact N-O 2.92Å; Q2968-S3023 PolarHBondContact O-N 2.8Å |
| 2969 | V | 95.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | -37.1 | -179.2 | 175 | 0 | 0 | 0 | 0 | 111.9 | V2967 V2993 Y3004 V3006 L3020 W3021 V3022 F3024 | V2967-V2969 HydrophobicContact CG1-CG2 4Å; V2969-V2993 HydrophobicContact CG2-CG2 3.43Å; V2969-V2993 VanDerWaalsContact CG2-CG2 3.45Å; V2969-Y3004 HydrophobicContact CG1-CD2 3.49Å; V2969-Y3004 VanDerWaalsContact CG1-CD2 3.47Å; V2969-Y3004 HydrophobicContact CG1-CE2 3.89Å; V2969-Y3004 HydrophobicContact CG1-CG 3.95Å; V2969-Y3004 HydrophobicContact CG2-CD1 4.36Å; V2969-Y3004 HydrophobicContact CG2-CD2 4.27Å; V2969-Y3004 HydrophobicContact CG2-CG 3.85Å; V2969-V3006 HydrophobicContact CG1-CG2 4.48Å; V2969-L3020 HydrophobicContact CG1-CD2 4.32Å; V2969-L3020 CarbonylContact O-C 3.55Å; V2969-L3020 VanDerWaalsContact O-CA 3.32Å; V2969-L3020 WeakPolarHBondContact O-CA 3.28Å; V2969-W3021 CarbonylContact C-O 3.53Å; V2969-W3021 CarbonylContact O-C 3.48Å; V2969-W3021 PolarHBondContact O-N 3.24Å; V2969-V3022 HydrophobicContact CG1-CG2 4.32Å; V2969-F3024 HydrophobicContact CG2-CE1 4.04Å; V2969-F3024 HydrophobicContact CG2-CZ 4.39Å |
| 2970 | L | 93.1 | Very high | 89.9 | Confident | 28 Ų | 28 | 49.7 Ų | 49.7 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 146.6 | -175.5 | -60.8 | 175.9 | 0 | 0 | 0 | 111.6 | Q2968 G2972 Q2973 N2990 Y3018 L3020 | Q2968-L2970 PolarHBondContact NE2-O 3.17Å; L2970-G2972 PolarHBondContact O-N 3.02Å; L2970-Q2973 HydrophobicContact CB-CB 4.26Å; L2970-Q2973 VanDerWaalsContact N-OE1 3.14Å; L2970-Q2973 VanDerWaalsContact O-CB 3.24Å; L2970-Q2973 WeakPolarHBondContact O-CB 3.27Å; L2970-Q2973 PolarHBondContact O-N 3.2Å; L2970-Q2973 VanDerWaalsContact O-N 3.16Å; L2970-N2990 HydrophobicContact CD1-CB 4.08Å; L2970-Y3018 HydrophobicContact CD2-CD1 4.35Å; L2970-L3020 HydrophobicContact CD2-CD2 4.24Å |
| 2971 | S | 87.7 | Confident | 90 | Very high | 62.2 Ų | 62.2 | 55.5 Ų | 55.5 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 129.9 | 173.1 | -176.9 | 0 | 0 | 0 | 0 | 111.2 | Q2973 R3019 | S2971-Q2973 VanDerWaalsContact C-N 3.29Å; S2971-Q2973 PolarHBondContact O-N 3.2Å; S2971-R3019 PolarHBondContact N-O 3.01Å |
| 2972 | G | 84.4 | Confident | 90.5 | Very high | 75.6 Ų | 75.6 | 56.2 Ų | 56.2 | 78% | 0.779 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | -3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | L2970 | L2970-G2972 PolarHBondContact O-N 3.02Š|
| 2973 | Q | 87.1 | Confident | 91.1 | Very high | 37 Ų | 37 | 54.1 Ų | 54.1 | 17% | 0.173 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 135.8 | 173.8 | -175 | -177.1 | 24.6 | 0 | 0 | 111.1 | Q2968 L2970 S2971 K2976 N2990 G2991 | Q2968-Q2973 VanDerWaalsContact CD-O 3.29Å; Q2968-Q2973 HydrophobicContact CG-CB 4.12Å; Q2968-Q2973 HydrophobicContact CG-CG 4.41Å; Q2968-Q2973 WeakPolarHBondContact CG-O 2.98Å; Q2968-Q2973 PolarHBondContact NE2-O 3.06Å; L2970-Q2973 HydrophobicContact CB-CB 4.26Å; L2970-Q2973 VanDerWaalsContact N-OE1 3.14Å; L2970-Q2973 VanDerWaalsContact O-CB 3.24Å; L2970-Q2973 WeakPolarHBondContact O-CB 3.27Å; L2970-Q2973 PolarHBondContact O-N 3.2Å; L2970-Q2973 VanDerWaalsContact O-N 3.16Å; S2971-Q2973 VanDerWaalsContact C-N 3.29Å; S2971-Q2973 PolarHBondContact O-N 3.2Å; Q2973-K2976 VanDerWaalsContact NE2-CE 3.31Å; Q2973-K2976 VanDerWaalsContact NE2-NZ 3.15Å; Q2973-N2990 PolarHBondContact NE2-O 2.83Å; Q2973-G2991 PolarHBondContact NE2-O 3.04Å; Q2973-G2991 VanDerWaalsContact NE2-O 3.15Å |
| 2974 | T | 87 | Confident | 91.4 | Very high | 116.4 Ų | 116.4 | 52.8 Ų | 52.8 | 71% | 0.714 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -71.8 | 133.8 | 171.3 | -37.4 | 0 | 0 | 0 | 0 | 110.4 | K2976 | T2974-K2976 PolarHBondContact O-N 3.15Š|
| 2975 | P | 89.8 | Confident | 91.6 | Very high | 43.8 Ų | 43.8 | 53.8 Ų | 53.8 | 28% | 0.284 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 128.8 | 175.9 | -23.9 | 32.5 | 0 | 0 | 0 | 111.9 | R2966 V2967 Q2968 Y3025 | R2966-P2975 HydrophobicContact CB-CB 3.96Å; R2966-P2975 HydrophobicContact CG-CB 4.43Å; R2966-P2975 PolarHBondContact NH1-O 3.31Å; V2967-P2975 WeakPolarHBondContact O-CA 3.39Å; Q2968-P2975 HydrophobicContact CB-CB 4.43Å; Q2968-P2975 HydrophobicContact CB-CG 4.24Å; P2975-Y3025 HydrophobicContact CB-CE1 4.4Å |
| 2976 | K | 92 | Very high | 91.7 | Very high | 56.2 Ų | 56.2 | 56.2 Ų | 56.2 | 24% | 0.244 | 33% | 0.33 | C | S | . | . | B | Isolated β-bridge | trans | -128.1 | 169.4 | -175.3 | 61.4 | -179.7 | -179.1 | -179.9 | 0 | 111.5 | R2966 V2967 Q2973 T2974 G2991 E2992 | R2966-K2976 CarbonylContact C-O 3.5Å; R2966-K2976 VanDerWaalsContact CA-O 3.29Å; R2966-K2976 WeakPolarHBondContact CA-O 3.28Å; V2967-K2976 HydrophobicContact CG2-CG 4.33Å; V2967-K2976 VanDerWaalsContact CG2-O 3.31Å; V2967-K2976 WeakPolarHBondContact CG2-O 3.21Å; V2967-K2976 PolarHBondContact N-O 3.05Å; V2967-K2976 PolarHBondContact O-N 3.09Å; Q2973-K2976 VanDerWaalsContact NE2-CE 3.31Å; Q2973-K2976 VanDerWaalsContact NE2-NZ 3.15Å; T2974-K2976 PolarHBondContact O-N 3.15Å; K2976-G2991 WeakPolarHBondContact CE-O 3.2Å; K2976-G2991 VanDerWaalsContact NZ-C 3.29Å; K2976-G2991 PolarHBondContact NZ-O 3.18Å; K2976-E2992 WeakPolarHBondContact CE-OE1 3.43Å; K2976-E2992 WeakPolarHBondContact CE-OE2 3.41Å; K2976-E2992 IonicContact NZ-OE1 3.33Å; K2976-E2992 PolarHBondContact NZ-OE1 3.08Å; K2976-E2992 IonicContact NZ-OE2 2.81Å; K2976-E2992 PolarHBondContact NZ-OE2 2.88Å |
| 2977 | Q | 91 | Very high | 91.8 | Very high | 102.6 Ų | 102.6 | 58.4 Ų | 58.4 | 48% | 0.479 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -75.5 | 150.1 | 171.4 | -69.4 | -150.8 | -8.6 | 0 | 0 | 110.7 | D2965 I2979 | D2965-Q2977 WeakPolarHBondContact O-CG 3.34Å; D2965-Q2977 PolarHBondContact O-NE2 2.97Å; D2965-Q2977 PolarHBondContact O-OE1 2.81Å; Q2977-I2979 PolarHBondContact O-N 2.88Å |
| 2978 | P | 93.2 | Very high | 91.8 | Very high | 8.2 Ų | 8.2 | 59.8 Ų | 59.8 | 5% | 0.053 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 143.9 | 168.9 | -9.5 | 18.1 | 0 | 0 | 0 | 111 | K2963 P2964 V2967 V2993 | K2963-P2978 HydrophobicContact CG-CG 4.4Å; P2964-P2978 HydrophobicContact CG-CG 4.28Å; P2964-P2978 WeakPolarHBondContact O-CD 3.49Å; V2967-P2978 HydrophobicContact CG1-CB 4.4Å; V2967-P2978 HydrophobicContact CG1-CG 3.98Å; V2967-P2978 HydrophobicContact CG2-CB 4.38Å; V2967-P2978 HydrophobicContact CG2-CG 4.2Å; P2978-V2993 CarbonylContact C-O 3.49Å; P2978-V2993 VanDerWaalsContact CA-O 3.29Å; P2978-V2993 WeakPolarHBondContact CA-O 3.29Å; P2978-V2993 HydrophobicContact CB-CG1 4.43Å |
| 2979 | I | 94.3 | Very high | 91.7 | Very high | 43.2 Ų | 43.2 | 63.6 Ų | 63.6 | 22% | 0.222 | 37% | 0.373 | C | S | . | . | B | Isolated β-bridge | trans | -70 | 162.7 | 172.6 | 63.3 | 165.1 | 0 | 0 | 0 | 110.8 | Q2977 E2981 L2983 H2988 E2992 V2993 F2994 | Q2977-I2979 PolarHBondContact O-N 2.88Å; I2979-E2981 VanDerWaalsContact CD1-O 3.28Å; I2979-E2981 WeakPolarHBondContact CD1-O 3.35Å; I2979-E2981 WeakPolarHBondContact CG1-O 3.29Å; I2979-L2983 HydrophobicContact CD1-CD2 3.88Å; I2979-H2988 VanDerWaalsContact CD1-CD2 3.44Å; I2979-H2988 WeakPolarHBondContact CD1-CD2 3.16Å; I2979-H2988 WeakPolarHBondContact CD1-NE2 3.33Å; I2979-E2992 HydrophobicContact CD1-CG 3.76Å; I2979-E2992 HydrophobicContact CG1-CG 4.14Å; I2979-E2992 HydrophobicContact CG2-CG 4.07Å; I2979-E2992 VanDerWaalsContact CG2-OE1 3.27Å; I2979-E2992 WeakPolarHBondContact CG2-OE1 3.02Å; I2979-E2992 VanDerWaalsContact CG2-OE2 3.29Å; I2979-E2992 WeakPolarHBondContact CG2-OE2 3.37Å; I2979-V2993 VanDerWaalsContact CG1-O 3.29Å; I2979-V2993 WeakPolarHBondContact CG1-O 3.34Å; I2979-V2993 PolarHBondContact N-O 3.05Å; I2979-F2994 HydrophobicContact CG1-CB 4.17Å |
| 2980 | T | 89.6 | Confident | 91.5 | Very high | 115 Ų | 115 | 65.4 Ų | 65.4 | 71% | 0.706 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -91.9 | -23.8 | -177 | 50.8 | 0 | 0 | 0 | 0 | 113.9 | F2994 | T2980-F2994 WeakPolarHBondContact O-CE2 3.33Š|
| 2981 | E | 92 | Very high | 91.5 | Very high | 122.6 Ų | 122.6 | 64.1 Ų | 64.1 | 57% | 0.573 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -96.5 | 146.7 | -178.3 | -59.4 | -101.7 | 167.8 | 0 | 0 | 110.7 | I2979 F2994 | I2979-E2981 VanDerWaalsContact CD1-O 3.28Å; I2979-E2981 WeakPolarHBondContact CD1-O 3.35Å; I2979-E2981 WeakPolarHBondContact CG1-O 3.29Å; E2981-F2994 WeakPolarHBondContact O-CD2 3.36Å; E2981-F2994 WeakPolarHBondContact O-CG 3.44Å |
| 2982 | P | 93.4 | Very high | 91.9 | Very high | 79.4 Ų | 79.4 | 62.6 Ų | 62.6 | 52% | 0.516 | 36% | 0.362 | S | S | . | . | trans | -55 | 147.5 | 172.7 | -25.3 | 34.6 | 0 | 0 | 0 | 112.8 | D2984 H2988 F2994 | P2982-D2984 PolarHBondContact O-N 3.04Å; P2982-D2984 VanDerWaalsContact O-N 3.08Å; P2982-H2988 PolarHBondContact O-CE1 2.93Å; P2982-H2988 VanDerWaalsContact O-CE1 3.3Å; P2982-F2994 HydrophobicContact CB-CD1 4.42Å; P2982-F2994 HydrophobicContact CB-CE1 4.18Å; P2982-F2994 HydrophobicContact CB-CZ 4.43Å; P2982-F2994 HydrophobicContact CG-CE1 4.18Å; P2982-F2994 HydrophobicContact CG-CE2 4.4Å; P2982-F2994 HydrophobicContact CG-CZ 4.03Å | ||
| 2983 | L | 95.7 | Very high | 92.5 | Very high | 14.4 Ų | 14.4 | 59 Ų | 59 | 8% | 0.075 | 33% | 0.325 | C | S | . | . | trans | -67.3 | 109.1 | -178 | -70.4 | 172.1 | 0 | 0 | 0 | 111.8 | I2954 I2979 H2988 E2992 F2994 E3003 L3005 | I2954-L2983 HydrophobicContact CD1-CB 4.11Å; I2954-L2983 HydrophobicContact CG2-CD1 4.13Å; I2979-L2983 HydrophobicContact CD1-CD2 3.88Å; L2983-H2988 HydrophobicContact CD2-CB 4.4Å; L2983-E2992 HydrophobicContact CD2-CB 3.85Å; L2983-E2992 HydrophobicContact CD2-CG 3.97Å; L2983-F2994 HydrophobicContact CD1-CB 4.39Å; L2983-F2994 HydrophobicContact CD2-CB 4.4Å; L2983-F2994 HydrophobicContact CG-CB 3.81Å; L2983-E3003 HydrophobicContact CD1-CB 4.29Å; L2983-E3003 HydrophobicContact CD1-CG 3.8Å; L2983-E3003 WeakPolarHBondContact CD1-O 3.28Å; L2983-E3003 HydrophobicContact CG-CG 4.46Å; L2983-L3005 HydrophobicContact CD1-CB 4.09Å; L2983-L3005 HydrophobicContact CD2-CB 4.21Å | ||
| 2984 | D | 94.2 | Very high | 93 | Very high | 64 Ų | 64 | 57.9 Ų | 57.9 | 34% | 0.342 | 32% | 0.32 | S | S | . | . | trans | -98.8 | 113.4 | 162.9 | -179.2 | -9.6 | 0 | 0 | 0 | 111.3 | P2982 S2986 I2987 H2988 | P2982-D2984 PolarHBondContact O-N 3.04Å; P2982-D2984 VanDerWaalsContact O-N 3.08Å; D2984-S2986 PolarHBondContact O-N 2.72Å; D2984-S2986 VanDerWaalsContact O-N 3.14Å; D2984-S2986 VanDerWaalsContact OD1-CB 3.29Å; D2984-S2986 WeakPolarHBondContact OD1-CB 3.37Å; D2984-S2986 PolarHBondContact OD1-N 3Å; D2984-S2986 PolarHBondContact OD1-OG 3.06Å; D2984-S2986 PolarHBondContact OD2-OG 3.03Å; D2984-S2986 VanDerWaalsContact OD2-OG 3.09Å; D2984-I2987 HydrophobicContact CB-CB 4.47Å; D2984-I2987 HydrophobicContact CB-CD1 4.15Å; D2984-I2987 HydrophobicContact CB-CG1 3.75Å; D2984-I2987 WeakPolarHBondContact O-CG1 3.43Å; D2984-I2987 PolarHBondContact O-N 2.85Å; D2984-I2987 WeakPolarHBondContact OD2-CD1 3.28Å; D2984-H2988 PolarHBondContact N-ND1 2.9Å; D2984-H2988 VanDerWaalsContact O-CB 3.3Å; D2984-H2988 WeakPolarHBondContact O-CB 3.21Å; D2984-H2988 PolarHBondContact O-N 2.96Å; D2984-H2988 PolarHBondContact O-ND1 3.19Å; D2984-H2988 VanDerWaalsContact O-ND1 3.12Å | ||
| 2985 | P | 93.6 | Very high | 93.4 | Very high | 23.8 Ų | 23.8 | 53.2 Ų | 53.2 | 16% | 0.155 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -22.6 | 177.6 | -22.6 | 31.9 | 0 | 0 | 0 | 115.5 | Y2952 I2954 I2987 L3005 K3007 | Y2952-P2985 HydrophobicContact CD1-CB 3.81Å; Y2952-P2985 HydrophobicContact CD1-CG 4.1Å; Y2952-P2985 HydrophobicContact CD2-CB 3.88Å; Y2952-P2985 HydrophobicContact CD2-CG 3.43Å; Y2952-P2985 VanDerWaalsContact CD2-CG 3.45Å; Y2952-P2985 HydrophobicContact CE1-CB 4.08Å; Y2952-P2985 HydrophobicContact CE1-CG 4.04Å; Y2952-P2985 HydrophobicContact CE2-CB 4.16Å; Y2952-P2985 HydrophobicContact CE2-CG 3.38Å; Y2952-P2985 VanDerWaalsContact CE2-CG 3.4Å; Y2952-P2985 HydrophobicContact CG-CB 3.7Å; Y2952-P2985 HydrophobicContact CG-CG 3.82Å; I2954-P2985 HydrophobicContact CD1-CG 4.16Å; P2985-I2987 VanDerWaalsContact C-N 3.35Å; P2985-L3005 HydrophobicContact CB-CD1 4.1Å; P2985-L3005 HydrophobicContact CB-CD2 4.42Å; P2985-L3005 HydrophobicContact CG-CD1 4.08Å; P2985-K3007 PolarHBondContact O-NZ 3.02Å |
| 2986 | S | 91.8 | Very high | 93.7 | Very high | 94.6 Ų | 94.6 | 53 Ų | 53 | 66% | 0.662 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -26.3 | -179.5 | 74.2 | 0 | 0 | 0 | 0 | 112.9 | D2984 | D2984-S2986 PolarHBondContact O-N 2.72Å; D2984-S2986 VanDerWaalsContact O-N 3.14Å; D2984-S2986 VanDerWaalsContact OD1-CB 3.29Å; D2984-S2986 WeakPolarHBondContact OD1-CB 3.37Å; D2984-S2986 PolarHBondContact OD1-N 3Å; D2984-S2986 PolarHBondContact OD1-OG 3.06Å; D2984-S2986 PolarHBondContact OD2-OG 3.03Å; D2984-S2986 VanDerWaalsContact OD2-OG 3.09Å |
| 2987 | I | 92.7 | Very high | 93.6 | Very high | 114.2 Ų | 114.2 | 57.4 Ų | 57.4 | 59% | 0.586 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | -37 | -176.4 | 21 | 175.9 | 0 | 0 | 0 | 112.5 | D2984 P2985 | D2984-I2987 HydrophobicContact CB-CB 4.47Å; D2984-I2987 HydrophobicContact CB-CD1 4.15Å; D2984-I2987 HydrophobicContact CB-CG1 3.75Å; D2984-I2987 WeakPolarHBondContact O-CG1 3.43Å; D2984-I2987 PolarHBondContact O-N 2.85Å; D2984-I2987 WeakPolarHBondContact OD2-CD1 3.28Å; P2985-I2987 VanDerWaalsContact C-N 3.35Å |
| 2988 | H | 94.5 | Very high | 93.6 | Very high | 28.6 Ų | 28.6 | 59.2 Ų | 59.2 | 13% | 0.132 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -85.2 | 148.8 | -172.9 | -65.3 | 108 | 0 | 0 | 0 | 113 | I2979 P2982 L2983 D2984 E2992 L3005 K3007 | I2979-H2988 VanDerWaalsContact CD1-CD2 3.44Å; I2979-H2988 WeakPolarHBondContact CD1-CD2 3.16Å; I2979-H2988 WeakPolarHBondContact CD1-NE2 3.33Å; P2982-H2988 PolarHBondContact O-CE1 2.93Å; P2982-H2988 VanDerWaalsContact O-CE1 3.3Å; L2983-H2988 HydrophobicContact CD2-CB 4.4Å; D2984-H2988 PolarHBondContact N-ND1 2.9Å; D2984-H2988 VanDerWaalsContact O-CB 3.3Å; D2984-H2988 WeakPolarHBondContact O-CB 3.21Å; D2984-H2988 PolarHBondContact O-N 2.96Å; D2984-H2988 PolarHBondContact O-ND1 3.19Å; D2984-H2988 VanDerWaalsContact O-ND1 3.12Å; H2988-E2992 WeakPolarHBondContact CA-OE2 3.12Å; H2988-E2992 HydrophobicContact CB-CB 4.19Å; H2988-E2992 HydrophobicContact CB-CG 4.13Å; H2988-E2992 WeakPolarHBondContact CB-OE2 3.37Å; H2988-E2992 IonicContact CD2-OE2 3.53Å; H2988-E2992 PolarHBondContact CD2-OE2 2.93Å; H2988-E2992 IonicContact CG-OE2 3.25Å; H2988-E2992 VanDerWaalsContact CG-OE2 3.29Å; H2988-L3005 HydrophobicContact CB-CD2 4.05Å; H2988-L3005 WeakPolarHBondContact O-CD2 3.38Å; H2988-K3007 VanDerWaalsContact O-CE 3.26Å; H2988-K3007 WeakPolarHBondContact O-CE 3.32Å; H2988-K3007 PolarHBondContact O-NZ 3.3Å |
| 2989 | N | 92.1 | Very high | 93.5 | Very high | 104.8 Ų | 104.8 | 60.3 Ų | 60.3 | 56% | 0.56 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -86.3 | 168.8 | -178 | -69.9 | -48.2 | 0 | 0 | 0 | 113.1 | G2991 E2992 | N2989-G2991 PolarHBondContact O-N 2.9Å; N2989-E2992 VanDerWaalsContact CA-OE2 3.3Å; N2989-E2992 WeakPolarHBondContact CA-OE2 3.34Å; N2989-E2992 HydrophobicContact CB-CG 4.26Å; N2989-E2992 WeakPolarHBondContact CB-OE1 3.22Å; N2989-E2992 VanDerWaalsContact CB-OE2 3.24Å; N2989-E2992 WeakPolarHBondContact CB-OE2 3.36Å; N2989-E2992 PolarHBondContact N-OE1 3Å; N2989-E2992 PolarHBondContact N-OE2 3.19Å; N2989-E2992 PolarHBondContact ND2-OE1 2.78Å; N2989-E2992 VanDerWaalsContact O-CB 3.27Å; N2989-E2992 WeakPolarHBondContact O-CB 3.33Å; N2989-E2992 VanDerWaalsContact O-CG 3.28Å; N2989-E2992 WeakPolarHBondContact O-CG 3.21Å; N2989-E2992 PolarHBondContact O-N 2.94Å |
| 2990 | N | 92.7 | Very high | 93.4 | Very high | 38.6 Ų | 38.6 | 63.1 Ų | 63.1 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 132.4 | 175.4 | -120.3 | -3.9 | 0 | 0 | 0 | 111.7 | L2970 Q2973 E2992 V3006 K3007 Y3018 | L2970-N2990 HydrophobicContact CD1-CB 4.08Å; Q2973-N2990 PolarHBondContact NE2-O 2.83Å; N2990-E2992 VanDerWaalsContact C-N 3.32Å; N2990-E2992 PolarHBondContact O-N 2.66Å; N2990-V3006 VanDerWaalsContact OD1-CA 3.23Å; N2990-V3006 WeakPolarHBondContact OD1-CA 3.38Å; N2990-K3007 HydrophobicContact CB-CG 4.02Å; N2990-K3007 PolarHBondContact ND2-O 3.13Å; N2990-K3007 WeakPolarHBondContact OD1-CA 3.42Å; N2990-K3007 WeakPolarHBondContact OD1-CG 3.49Å; N2990-K3007 PolarHBondContact OD1-N 2.83Å; N2990-K3007 PolarHBondContact OD1-O 2.94Å; N2990-K3007 VanDerWaalsContact OD1-O 3.09Å; N2990-Y3018 VanDerWaalsContact ND2-CE1 3.28Å; N2990-Y3018 WeakPolarHBondContact ND2-CE1 3.4Å; N2990-Y3018 PolarHBondContact ND2-OH 3Å |
| 2991 | G | 93.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.5 | 16.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q2973 K2976 N2989 V2993 L3005 | Q2973-G2991 PolarHBondContact NE2-O 3.04Å; Q2973-G2991 VanDerWaalsContact NE2-O 3.15Å; K2976-G2991 WeakPolarHBondContact CE-O 3.2Å; K2976-G2991 VanDerWaalsContact NZ-C 3.29Å; K2976-G2991 PolarHBondContact NZ-O 3.18Å; N2989-G2991 PolarHBondContact O-N 2.9Å; G2991-V2993 WeakPolarHBondContact O-CG2 3.47Å; G2991-L3005 WeakPolarHBondContact CA-O 3.16Å; G2991-L3005 PolarHBondContact N-O 3.17Å |
| 2992 | E | 96.1 | Very high | 93.9 | Very high | 31.6 Ų | 31.6 | 53.1 Ų | 53.1 | 15% | 0.148 | 29% | 0.293 | C | S | . | . | trans | -70.9 | 145.6 | 164.5 | -90.6 | 0.3 | -166.1 | 0 | 0 | 110.6 | K2976 I2979 L2983 H2988 N2989 N2990 Y3004 L3005 | K2976-E2992 WeakPolarHBondContact CE-OE1 3.43Å; K2976-E2992 WeakPolarHBondContact CE-OE2 3.41Å; K2976-E2992 IonicContact NZ-OE1 3.33Å; K2976-E2992 PolarHBondContact NZ-OE1 3.08Å; K2976-E2992 IonicContact NZ-OE2 2.81Å; K2976-E2992 PolarHBondContact NZ-OE2 2.88Å; I2979-E2992 HydrophobicContact CD1-CG 3.76Å; I2979-E2992 HydrophobicContact CG1-CG 4.14Å; I2979-E2992 HydrophobicContact CG2-CG 4.07Å; I2979-E2992 VanDerWaalsContact CG2-OE1 3.27Å; I2979-E2992 WeakPolarHBondContact CG2-OE1 3.02Å; I2979-E2992 VanDerWaalsContact CG2-OE2 3.29Å; I2979-E2992 WeakPolarHBondContact CG2-OE2 3.37Å; L2983-E2992 HydrophobicContact CD2-CB 3.85Å; L2983-E2992 HydrophobicContact CD2-CG 3.97Å; H2988-E2992 WeakPolarHBondContact CA-OE2 3.12Å; H2988-E2992 HydrophobicContact CB-CB 4.19Å; H2988-E2992 HydrophobicContact CB-CG 4.13Å; H2988-E2992 WeakPolarHBondContact CB-OE2 3.37Å; H2988-E2992 IonicContact CD2-OE2 3.53Å; H2988-E2992 PolarHBondContact CD2-OE2 2.93Å; H2988-E2992 IonicContact CG-OE2 3.25Å; H2988-E2992 VanDerWaalsContact CG-OE2 3.29Å; N2989-E2992 VanDerWaalsContact CA-OE2 3.3Å; N2989-E2992 WeakPolarHBondContact CA-OE2 3.34Å; N2989-E2992 HydrophobicContact CB-CG 4.26Å; N2989-E2992 WeakPolarHBondContact CB-OE1 3.22Å; N2989-E2992 VanDerWaalsContact CB-OE2 3.24Å; N2989-E2992 WeakPolarHBondContact CB-OE2 3.36Å; N2989-E2992 PolarHBondContact N-OE1 3Å; N2989-E2992 PolarHBondContact N-OE2 3.19Å; N2989-E2992 PolarHBondContact ND2-OE1 2.78Å; N2989-E2992 VanDerWaalsContact O-CB 3.27Å; N2989-E2992 WeakPolarHBondContact O-CB 3.33Å; N2989-E2992 VanDerWaalsContact O-CG 3.28Å; N2989-E2992 WeakPolarHBondContact O-CG 3.21Å; N2989-E2992 PolarHBondContact O-N 2.94Å; N2990-E2992 VanDerWaalsContact C-N 3.32Å; N2990-E2992 PolarHBondContact O-N 2.66Å; E2992-Y3004 VanDerWaalsContact O-CA 3.28Å; E2992-Y3004 WeakPolarHBondContact O-CA 3.32Å; E2992-L3005 PolarHBondContact O-N 3.08Å; E2992-L3005 VanDerWaalsContact O-N 3.11Å | ||
| 2993 | V | 96.9 | Very high | 94.1 | Very high | 0.8 Ų | 0.8 | 49.7 Ų | 49.7 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 125.5 | -170.5 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | V2967 V2969 P2978 I2979 G2991 I3002 E3003 F3024 | V2967-V2993 HydrophobicContact CB-CB 4.26Å; V2967-V2993 HydrophobicContact CB-CG1 4.09Å; V2967-V2993 HydrophobicContact CB-CG2 4.13Å; V2967-V2993 HydrophobicContact CG1-CB 4.42Å; V2967-V2993 HydrophobicContact CG1-CG1 4.1Å; V2967-V2993 HydrophobicContact CG1-CG2 3.68Å; V2967-V2993 HydrophobicContact CG2-CB 3.72Å; V2967-V2993 HydrophobicContact CG2-CG1 4.04Å; V2967-V2993 HydrophobicContact CG2-CG2 3.91Å; V2969-V2993 HydrophobicContact CG2-CG2 3.43Å; V2969-V2993 VanDerWaalsContact CG2-CG2 3.45Å; P2978-V2993 CarbonylContact C-O 3.49Å; P2978-V2993 VanDerWaalsContact CA-O 3.29Å; P2978-V2993 WeakPolarHBondContact CA-O 3.29Å; P2978-V2993 HydrophobicContact CB-CG1 4.43Å; I2979-V2993 VanDerWaalsContact CG1-O 3.29Å; I2979-V2993 WeakPolarHBondContact CG1-O 3.34Å; I2979-V2993 PolarHBondContact N-O 3.05Å; G2991-V2993 WeakPolarHBondContact O-CG2 3.47Å; V2993-I3002 HydrophobicContact CG1-CD1 3.65Å; V2993-I3002 HydrophobicContact CG1-CG1 3.53Å; V2993-I3002 VanDerWaalsContact CG1-CG1 3.49Å; V2993-E3003 CarbonylContact C-O 3.57Å; V2993-E3003 VanDerWaalsContact CA-O 3.27Å; V2993-E3003 WeakPolarHBondContact CA-O 3.25Å; V2993-E3003 WeakPolarHBondContact CG1-O 3.23Å; V2993-F3024 HydrophobicContact CG1-CE1 4.11Å; V2993-F3024 HydrophobicContact CG2-CE1 4.28Å |
| 2994 | F | 96.6 | Very high | 94.2 | Very high | 12.4 Ų | 12.4 | 49 Ų | 49 | 5% | 0.054 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 135.7 | 174.7 | 170.4 | -118.5 | 0 | 0 | 0 | 110 | I2979 T2980 E2981 P2982 L2983 N2996 Y3001 I3002 E3003 | I2979-F2994 HydrophobicContact CG1-CB 4.17Å; T2980-F2994 WeakPolarHBondContact O-CE2 3.33Å; E2981-F2994 WeakPolarHBondContact O-CD2 3.36Å; E2981-F2994 WeakPolarHBondContact O-CG 3.44Å; P2982-F2994 HydrophobicContact CB-CD1 4.42Å; P2982-F2994 HydrophobicContact CB-CE1 4.18Å; P2982-F2994 HydrophobicContact CB-CZ 4.43Å; P2982-F2994 HydrophobicContact CG-CE1 4.18Å; P2982-F2994 HydrophobicContact CG-CE2 4.4Å; P2982-F2994 HydrophobicContact CG-CZ 4.03Å; L2983-F2994 HydrophobicContact CD1-CB 4.39Å; L2983-F2994 HydrophobicContact CD2-CB 4.4Å; L2983-F2994 HydrophobicContact CG-CB 3.81Å; F2994-N2996 HydrophobicContact CD1-CB 4.49Å; F2994-N2996 HydrophobicContact CE1-CB 3.74Å; F2994-N2996 HydrophobicContact CZ-CB 3.91Å; F2994-Y3001 HydrophobicContact CD1-CE2 4.18Å; F2994-Y3001 HydrophobicContact CE1-CE2 4.12Å; F2994-I3002 WeakPolarHBondContact O-CA 3.32Å; F2994-I3002 WeakPolarHBondContact O-CG1 3.34Å; F2994-E3003 HydrophobicContact CB-CG 4.15Å; F2994-E3003 HydrophobicContact CD1-CG 4.04Å; F2994-E3003 PolarHBondContact N-O 3.09Å; F2994-E3003 PolarHBondContact O-N 3.13Å |
| 2995 | Y | 95.7 | Very high | 94.3 | Very high | 18.4 Ų | 18.4 | 46 Ų | 46 | 7% | 0.072 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 124.1 | 172.6 | 171.5 | -99.2 | 0 | 0 | 0 | 109.4 | M2960 K2963 E2997 Y3001 I3002 | M2960-Y2995 HydrophobicContact CB-CD2 4.4Å; M2960-Y2995 HydrophobicContact CB-CE2 3.96Å; M2960-Y2995 VanDerWaalsContact O-CE2 3.26Å; M2960-Y2995 WeakPolarHBondContact O-CE2 3.35Å; M2960-Y2995 PolarHBondContact O-OH 3.12Å; M2960-Y2995 VanDerWaalsContact O-OH 3.05Å; K2963-Y2995 VanDerWaalsContact CA-CZ 3.49Å; K2963-Y2995 HydrophobicContact CB-CD1 3.7Å; K2963-Y2995 HydrophobicContact CB-CE1 3.43Å; K2963-Y2995 VanDerWaalsContact CB-CE1 3.43Å; K2963-Y2995 HydrophobicContact CB-CE2 4.44Å; K2963-Y2995 HydrophobicContact CB-CG 4.35Å; K2963-Y2995 HydrophobicContact CD-CD1 4Å; K2963-Y2995 HydrophobicContact CD-CE1 4.37Å; K2963-Y2995 HydrophobicContact CG-CD1 3.56Å; K2963-Y2995 HydrophobicContact CG-CE1 3.87Å; K2963-Y2995 HydrophobicContact CG-CG 4.07Å; K2963-Y2995 VanDerWaalsContact N-CZ 3.3Å; K2963-Y2995 PolarHBondContact N-OH 2.91Å; Y2995-E2997 HydrophobicContact CD1-CB 4.44Å; Y2995-E2997 VanDerWaalsContact CE1-CA 3.46Å; Y2995-E2997 HydrophobicContact CE1-CB 3.73Å; Y2995-E2997 HydrophobicContact CE1-CG 4.19Å; Y2995-Y3001 WeakPolarHBondContact CD2-O 3.4Å; Y2995-I3002 HydrophobicContact CD2-CB 4.42Å |
| 2996 | N | 95.1 | Very high | 94.4 | Very high | 39 Ų | 39 | 44.8 Ų | 44.8 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 109.3 | 174.8 | -169.5 | -41 | 0 | 0 | 0 | 110 | F2994 T2998 G2999 K3000 Y3001 | F2994-N2996 HydrophobicContact CD1-CB 4.49Å; F2994-N2996 HydrophobicContact CE1-CB 3.74Å; F2994-N2996 HydrophobicContact CZ-CB 3.91Å; N2996-T2998 PolarHBondContact OD1-N 2.96Å; N2996-T2998 VanDerWaalsContact OD1-N 3.11Å; N2996-G2999 PolarHBondContact OD1-N 3.08Å; N2996-K3000 WeakPolarHBondContact O-CA 3.29Å; N2996-K3000 PolarHBondContact O-N 2.92Å; N2996-Y3001 HydrophobicContact CB-CD1 3.84Å; N2996-Y3001 HydrophobicContact CB-CD2 4.07Å; N2996-Y3001 HydrophobicContact CB-CE1 3.4Å; N2996-Y3001 VanDerWaalsContact CB-CE1 3.42Å; N2996-Y3001 HydrophobicContact CB-CE2 3.66Å; N2996-Y3001 HydrophobicContact CB-CG 4.15Å; N2996-Y3001 PolarHBondContact N-O 3.1Å; N2996-Y3001 WeakPolarHBondContact ND2-CE1 3.2Å; N2996-Y3001 PolarHBondContact ND2-OH 3.13Å; N2996-Y3001 PolarHBondContact O-N 2.96Å |
| 2997 | E | 90.1 | Very high | 94.5 | Very high | 150 Ų | 150 | 42.6 Ų | 42.6 | 70% | 0.701 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -42.1 | -178.7 | -170.1 | 169.6 | -168.5 | 0 | 0 | 112.7 | Y2995 K3000 | Y2995-E2997 HydrophobicContact CD1-CB 4.44Å; Y2995-E2997 VanDerWaalsContact CE1-CA 3.46Å; Y2995-E2997 HydrophobicContact CE1-CB 3.73Å; Y2995-E2997 HydrophobicContact CE1-CG 4.19Å; E2997-K3000 PolarHBondContact O-N 2.92Å |
| 2998 | T | 91.3 | Very high | 94.5 | Very high | 138.8 Ų | 138.8 | 37.9 Ų | 37.9 | 85% | 0.852 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | -41.7 | -179.5 | -51.8 | 0 | 0 | 0 | 0 | 111.9 | N2996 K3000 | N2996-T2998 PolarHBondContact OD1-N 2.96Å; N2996-T2998 VanDerWaalsContact OD1-N 3.11Å; T2998-K3000 VanDerWaalsContact C-N 3.33Å |
| 2999 | G | 91.4 | Very high | 94 | Very high | 32.4 Ų | 32.4 | 38.5 Ų | 38.5 | 33% | 0.334 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -9.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N2996 Y3001 | N2996-G2999 PolarHBondContact OD1-N 3.08Å; G2999-Y3001 VanDerWaalsContact C-N 3.32Å; G2999-Y3001 PolarHBondContact O-N 2.97Å |
| 3000 | K | 92.9 | Very high | 93.4 | Very high | 102.4 Ų | 102.4 | 37.9 Ų | 37.9 | 45% | 0.445 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 47.9 | -177.3 | -62.5 | 177.6 | 160.2 | -152.9 | 0 | 113 | G2959 M2960 D2961 N2996 E2997 T2998 | G2959-K3000 CarbonylContact C-O 3.5Å; G2959-K3000 WeakPolarHBondContact CA-O 3.26Å; G2959-K3000 PolarHBondContact N-O 3.02Å; M2960-K3000 PolarHBondContact N-O 3.12Å; M2960-K3000 CarbonylContact O-C 3.55Å; M2960-K3000 WeakPolarHBondContact O-CA 3.29Å; D2961-K3000 VanDerWaalsContact OD1-CD 3.28Å; D2961-K3000 WeakPolarHBondContact OD1-CD 3.36Å; D2961-K3000 VanDerWaalsContact OD1-CE 3.32Å; D2961-K3000 WeakPolarHBondContact OD1-CE 3.33Å; D2961-K3000 IonicContact OD1-NZ 3.48Å; D2961-K3000 PolarHBondContact OD1-NZ 3.11Å; N2996-K3000 WeakPolarHBondContact O-CA 3.29Å; N2996-K3000 PolarHBondContact O-N 2.92Å; E2997-K3000 PolarHBondContact O-N 2.92Å; T2998-K3000 VanDerWaalsContact C-N 3.33Å |
| 3001 | Y | 94.8 | Very high | 92.8 | Very high | 27.2 Ų | 27.2 | 43.3 Ų | 43.3 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 155 | 178.5 | 70.4 | -102.1 | 0 | 0 | 0 | 111.3 | R2956 H2957 M2958 F2994 Y2995 N2996 G2999 E3003 | R2956-Y3001 HydrophobicContact CG-CD2 3.7Å; R2956-Y3001 HydrophobicContact CG-CE2 4.48Å; R2956-Y3001 HydrophobicContact CG-CG 3.98Å; H2957-Y3001 VanDerWaalsContact O-CA 3.29Å; H2957-Y3001 WeakPolarHBondContact O-CA 3.35Å; H2957-Y3001 VanDerWaalsContact O-CB 3.31Å; H2957-Y3001 WeakPolarHBondContact O-CB 3.27Å; M2958-Y3001 HydrophobicContact SD-CG 4.37Å; F2994-Y3001 HydrophobicContact CD1-CE2 4.18Å; F2994-Y3001 HydrophobicContact CE1-CE2 4.12Å; Y2995-Y3001 WeakPolarHBondContact CD2-O 3.4Å; N2996-Y3001 HydrophobicContact CB-CD1 3.84Å; N2996-Y3001 HydrophobicContact CB-CD2 4.07Å; N2996-Y3001 HydrophobicContact CB-CE1 3.4Å; N2996-Y3001 VanDerWaalsContact CB-CE1 3.42Å; N2996-Y3001 HydrophobicContact CB-CE2 3.66Å; N2996-Y3001 HydrophobicContact CB-CG 4.15Å; N2996-Y3001 PolarHBondContact N-O 3.1Å; N2996-Y3001 WeakPolarHBondContact ND2-CE1 3.2Å; N2996-Y3001 PolarHBondContact ND2-OH 3.13Å; N2996-Y3001 PolarHBondContact O-N 2.96Å; G2999-Y3001 VanDerWaalsContact C-N 3.32Å; G2999-Y3001 PolarHBondContact O-N 2.97Å; Y3001-E3003 HydrophobicContact CD2-CB 4.48Å; Y3001-E3003 HydrophobicContact CD2-CG 4.28Å; Y3001-E3003 HydrophobicContact CE2-CG 3.98Å; Y3001-E3003 WeakPolarHBondContact CE2-OE2 3.4Å |
| 3002 | I | 96.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 142.6 | 169.1 | -161.2 | 162.7 | 0 | 0 | 0 | 108.9 | R2956 H2957 M2960 P2964 V2967 V2993 F2994 Y2995 F3024 | R2956-I3002 CarbonylContact C-O 3.41Å; R2956-I3002 WeakPolarHBondContact CA-O 3.28Å; H2957-I3002 HydrophobicContact CB-CG2 4.08Å; H2957-I3002 PolarHBondContact N-O 2.72Å; H2957-I3002 PolarHBondContact O-N 3.04Å; M2960-I3002 HydrophobicContact CB-CB 4.37Å; M2960-I3002 HydrophobicContact CB-CG2 4.5Å; M2960-I3002 HydrophobicContact CE-CB 4.49Å; M2960-I3002 HydrophobicContact CE-CD1 4.39Å; M2960-I3002 HydrophobicContact CE-CG2 4.27Å; M2960-I3002 HydrophobicContact CG-CB 3.78Å; M2960-I3002 HydrophobicContact CG-CG2 3.46Å; M2960-I3002 VanDerWaalsContact CG-CG2 3.46Å; M2960-I3002 HydrophobicContact SD-CG2 4.01Å; P2964-I3002 HydrophobicContact CG-CD1 3.81Å; V2967-I3002 HydrophobicContact CG1-CD1 3.91Å; V2993-I3002 HydrophobicContact CG1-CD1 3.65Å; V2993-I3002 HydrophobicContact CG1-CG1 3.53Å; V2993-I3002 VanDerWaalsContact CG1-CG1 3.49Å; F2994-I3002 WeakPolarHBondContact O-CA 3.32Å; F2994-I3002 WeakPolarHBondContact O-CG1 3.34Å; Y2995-I3002 HydrophobicContact CD2-CB 4.42Å; I3002-F3024 HydrophobicContact CD1-CB 4.24Å; I3002-F3024 HydrophobicContact CD1-CD1 3.96Å; I3002-F3024 HydrophobicContact CD1-CD2 4.06Å; I3002-F3024 HydrophobicContact CD1-CE1 4.33Å; I3002-F3024 HydrophobicContact CD1-CE2 4.37Å; I3002-F3024 HydrophobicContact CD1-CG 3.81Å; I3002-F3024 HydrophobicContact CD1-CZ 4.45Å; I3002-F3024 HydrophobicContact CG1-CD2 4.48Å; I3002-F3024 HydrophobicContact CG1-CE2 4.43Å; I3002-F3024 HydrophobicContact CG2-CD2 3.66Å; I3002-F3024 HydrophobicContact CG2-CE2 3.61Å; I3002-F3024 HydrophobicContact CG2-CG 4.45Å; I3002-F3024 HydrophobicContact CG2-CZ 4.38Å |
| 3003 | E | 97.3 | Very high | 91.1 | Very high | 7.6 Ų | 7.6 | 47.2 Ų | 47.2 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 153.4 | 177.3 | 56.7 | -179.5 | -155.5 | 0 | 0 | 111.8 | I2954 I2955 R2956 L2983 V2993 F2994 Y3001 | I2954-E3003 HydrophobicContact CG2-CB 3.9Å; I2954-E3003 HydrophobicContact CG2-CG 4.27Å; I2955-E3003 CarbonylContact O-C 3.56Å; I2955-E3003 WeakPolarHBondContact O-CA 3.33Å; I2955-E3003 WeakPolarHBondContact O-CB 3.29Å; R2956-E3003 HydrophobicContact CB-CB 3.95Å; R2956-E3003 HydrophobicContact CG-CB 4.27Å; R2956-E3003 IonicContact CZ-OE2 3.34Å; R2956-E3003 IonicContact NE-OE2 3.12Å; R2956-E3003 PolarHBondContact NE-OE2 3.18Å; R2956-E3003 IonicContact NH2-OE2 3.33Å; R2956-E3003 PolarHBondContact NH2-OE2 2.95Å; L2983-E3003 HydrophobicContact CD1-CB 4.29Å; L2983-E3003 HydrophobicContact CD1-CG 3.8Å; L2983-E3003 WeakPolarHBondContact CD1-O 3.28Å; L2983-E3003 HydrophobicContact CG-CG 4.46Å; V2993-E3003 CarbonylContact C-O 3.57Å; V2993-E3003 VanDerWaalsContact CA-O 3.27Å; V2993-E3003 WeakPolarHBondContact CA-O 3.25Å; V2993-E3003 WeakPolarHBondContact CG1-O 3.23Å; F2994-E3003 HydrophobicContact CB-CG 4.15Å; F2994-E3003 HydrophobicContact CD1-CG 4.04Å; F2994-E3003 PolarHBondContact N-O 3.09Å; F2994-E3003 PolarHBondContact O-N 3.13Å; Y3001-E3003 HydrophobicContact CD2-CB 4.48Å; Y3001-E3003 HydrophobicContact CD2-CG 4.28Å; Y3001-E3003 HydrophobicContact CE2-CG 3.98Å; Y3001-E3003 WeakPolarHBondContact CE2-OE2 3.4Å |
| 3004 | Y | 97.7 | Very high | 90 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 150.7 | 178.5 | 66.7 | -94.9 | 0 | 0 | 0 | 112.4 | Y2940 L2944 I2954 I2955 H2957 V2969 E2992 V3006 L3020 V3022 F3024 | Y2940-Y3004 VanDerWaalsContact OH-CE1 3.27Å; Y2940-Y3004 WeakPolarHBondContact OH-CE1 3.38Å; Y2940-Y3004 PolarHBondContact OH-OH 3.1Å; L2944-Y3004 HydrophobicContact CD1-CE2 4.33Å; I2954-Y3004 WeakPolarHBondContact CA-O 3.31Å; I2955-Y3004 HydrophobicContact CB-CD1 4.16Å; I2955-Y3004 HydrophobicContact CB-CD2 4.4Å; I2955-Y3004 HydrophobicContact CB-CE1 3.59Å; I2955-Y3004 HydrophobicContact CB-CE2 3.84Å; I2955-Y3004 VanDerWaalsContact CB-CZ 3.4Å; I2955-Y3004 WeakPolarHBondContact CB-OH 3.46Å; I2955-Y3004 HydrophobicContact CG1-CE1 4.38Å; I2955-Y3004 HydrophobicContact CG1-CE2 3.83Å; I2955-Y3004 WeakPolarHBondContact CG1-OH 3.3Å; I2955-Y3004 HydrophobicContact CG2-CE1 3.68Å; I2955-Y3004 WeakPolarHBondContact CG2-OH 3.3Å; I2955-Y3004 PolarHBondContact N-O 2.8Å; I2955-Y3004 PolarHBondContact O-N 3.17Å; H2957-Y3004 AromaticContact NE2-CE1 3.74Å; V2969-Y3004 HydrophobicContact CG1-CD2 3.49Å; V2969-Y3004 VanDerWaalsContact CG1-CD2 3.47Å; V2969-Y3004 HydrophobicContact CG1-CE2 3.89Å; V2969-Y3004 HydrophobicContact CG1-CG 3.95Å; V2969-Y3004 HydrophobicContact CG2-CD1 4.36Å; V2969-Y3004 HydrophobicContact CG2-CD2 4.27Å; V2969-Y3004 HydrophobicContact CG2-CG 3.85Å; E2992-Y3004 VanDerWaalsContact O-CA 3.28Å; E2992-Y3004 WeakPolarHBondContact O-CA 3.32Å; Y3004-V3006 HydrophobicContact CD2-CG2 3.86Å; Y3004-V3006 HydrophobicContact CE2-CG2 3.78Å; Y3004-L3020 HydrophobicContact CE2-CD1 4.33Å; Y3004-V3022 HydrophobicContact CE1-CG1 4.48Å; Y3004-V3022 HydrophobicContact CE1-CG2 4.14Å; Y3004-F3024 HydrophobicContact CD1-CE2 4.49Å; Y3004-F3024 AromaticContact CD1-CZ 3.82Å; Y3004-F3024 HydrophobicContact CD1-CZ 3.82Å; Y3004-F3024 HydrophobicContact CE1-CZ 4.35Å |
| 3005 | L | 97.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.4 | -178.4 | 175.3 | 64.7 | 0 | 0 | 0 | 111.2 | Y2952 I2954 L2983 P2985 H2988 G2991 E2992 K3007 | Y2952-L3005 HydrophobicContact CD2-CD1 4.16Å; Y2952-L3005 HydrophobicContact CG-CD1 4.42Å; I2954-L3005 HydrophobicContact CG1-CD1 3.92Å; L2983-L3005 HydrophobicContact CD1-CB 4.09Å; L2983-L3005 HydrophobicContact CD2-CB 4.21Å; P2985-L3005 HydrophobicContact CB-CD1 4.1Å; P2985-L3005 HydrophobicContact CB-CD2 4.42Å; P2985-L3005 HydrophobicContact CG-CD1 4.08Å; H2988-L3005 HydrophobicContact CB-CD2 4.05Å; H2988-L3005 WeakPolarHBondContact O-CD2 3.38Å; G2991-L3005 WeakPolarHBondContact CA-O 3.16Å; G2991-L3005 PolarHBondContact N-O 3.17Å; E2992-L3005 PolarHBondContact O-N 3.08Å; E2992-L3005 VanDerWaalsContact O-N 3.11Å; L3005-K3007 HydrophobicContact CD1-CB 4.45Å; L3005-K3007 HydrophobicContact CD1-CG 4.18Å; L3005-K3007 HydrophobicContact CD2-CD 4.3Å; L3005-K3007 HydrophobicContact CD2-CG 4.31Å; L3005-K3007 HydrophobicContact CG-CG 4.12Å |
| 3006 | V | 96 | Very high | 88.6 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 124.6 | 164.3 | -172.2 | 0 | 0 | 0 | 0 | 109 | L2944 F2947 Y2952 V2953 V2969 N2990 Y3004 Y3018 L3020 | L2944-V3006 HydrophobicContact CD1-CB 4.02Å; L2944-V3006 HydrophobicContact CD1-CG1 4.24Å; L2944-V3006 HydrophobicContact CD1-CG2 3.81Å; F2947-V3006 HydrophobicContact CE1-CG1 4.24Å; F2947-V3006 WeakPolarHBondContact CE1-O 3.48Å; F2947-V3006 HydrophobicContact CE2-CG1 3.9Å; F2947-V3006 HydrophobicContact CZ-CB 4.03Å; F2947-V3006 HydrophobicContact CZ-CG1 3.51Å; F2947-V3006 VanDerWaalsContact CZ-CG1 3.48Å; Y2952-V3006 CarbonylContact C-O 3.5Å; Y2952-V3006 VanDerWaalsContact CA-O 3.32Å; Y2952-V3006 WeakPolarHBondContact CA-O 3.31Å; V2953-V3006 HydrophobicContact CG1-CB 4.27Å; V2953-V3006 PolarHBondContact N-O 3.17Å; V2953-V3006 PolarHBondContact O-N 3.02Å; V2969-V3006 HydrophobicContact CG1-CG2 4.48Å; N2990-V3006 VanDerWaalsContact OD1-CA 3.23Å; N2990-V3006 WeakPolarHBondContact OD1-CA 3.38Å; Y3004-V3006 HydrophobicContact CD2-CG2 3.86Å; Y3004-V3006 HydrophobicContact CE2-CG2 3.78Å; V3006-Y3018 HydrophobicContact CG1-CD2 3.64Å; V3006-Y3018 VanDerWaalsContact CG1-CD2 3.48Å; V3006-Y3018 HydrophobicContact CG1-CE2 4.08Å; V3006-Y3018 HydrophobicContact CG1-CG 4.02Å; V3006-L3020 HydrophobicContact CG2-CD2 4.05Å |
| 3007 | K | 93.8 | Very high | 88.2 | Confident | 48.6 Ų | 48.6 | 56.6 Ų | 56.6 | 21% | 0.211 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 157.5 | -179.5 | 56.6 | 179.4 | -173.6 | -174.5 | 0 | 111.8 | D2951 P2985 H2988 N2990 L3005 Y3018 | D2951-K3007 CarbonylContact O-C 3.52Å; D2951-K3007 VanDerWaalsContact O-CA 3.27Å; D2951-K3007 WeakPolarHBondContact O-CA 3.35Å; P2985-K3007 PolarHBondContact O-NZ 3.02Å; H2988-K3007 VanDerWaalsContact O-CE 3.26Å; H2988-K3007 WeakPolarHBondContact O-CE 3.32Å; H2988-K3007 PolarHBondContact O-NZ 3.3Å; N2990-K3007 HydrophobicContact CB-CG 4.02Å; N2990-K3007 PolarHBondContact ND2-O 3.13Å; N2990-K3007 WeakPolarHBondContact OD1-CA 3.42Å; N2990-K3007 WeakPolarHBondContact OD1-CG 3.49Å; N2990-K3007 PolarHBondContact OD1-N 2.83Å; N2990-K3007 PolarHBondContact OD1-O 2.94Å; N2990-K3007 VanDerWaalsContact OD1-O 3.09Å; L3005-K3007 HydrophobicContact CD1-CB 4.45Å; L3005-K3007 HydrophobicContact CD1-CG 4.18Å; L3005-K3007 HydrophobicContact CD2-CD 4.3Å; L3005-K3007 HydrophobicContact CD2-CG 4.31Å; L3005-K3007 HydrophobicContact CG-CG 4.12Å; K3007-Y3018 VanDerWaalsContact O-CE2 3.29Å; K3007-Y3018 WeakPolarHBondContact O-CE2 3.25Å; K3007-Y3018 PolarHBondContact O-OH 2.84Å; K3007-Y3018 VanDerWaalsContact O-OH 3.1Å |
| 3008 | A | 91.8 | Very high | 88.1 | Confident | 13.8 Ų | 13.8 | 51.5 Ų | 51.5 | 11% | 0.114 | 30% | 0.302 | C | S | . | . | trans | -55.2 | 145.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | F2947 R2948 D2951 | F2947-A3008 HydrophobicContact CB-CB 4.05Å; F2947-A3008 HydrophobicContact CD1-CB 4.36Å; R2948-A3008 WeakPolarHBondContact O-CB 3.31Å; D2951-A3008 WeakPolarHBondContact O-CB 3.32Å; D2951-A3008 PolarHBondContact O-N 2.94Å | ||
| 3009 | P | 84 | Confident | 88.1 | Confident | 41.2 Ų | 41.2 | 50.2 Ų | 50.2 | 27% | 0.268 | 28% | 0.282 | S | S | . | . | trans | -67.2 | 157.6 | 172.2 | 31.5 | -33.8 | 0 | 0 | 0 | 110 | N3011 P3012 N3016 Y3018 | P3009-N3011 PolarHBondContact O-N 2.95Å; P3009-N3011 VanDerWaalsContact O-N 3.15Å; P3009-P3012 HydrophobicContact CG-CB 4.2Å; P3009-P3012 WeakPolarHBondContact O-CD 3.39Å; P3009-N3016 HydrophobicContact CG-CB 3.93Å; P3009-N3016 WeakPolarHBondContact CG-OD1 3.05Å; P3009-Y3018 WeakPolarHBondContact CA-OH 3.43Å; P3009-Y3018 HydrophobicContact CB-CE2 4.49Å; P3009-Y3018 VanDerWaalsContact CD-OH 3.31Å; P3009-Y3018 WeakPolarHBondContact CD-OH 3.33Å; P3009-Y3018 HydrophobicContact CG-CE2 4.46Å | ||
| 3010 | A | 80 | Confident | 88.2 | Confident | 93 Ų | 93 | 48.7 Ų | 48.7 | 77% | 0.769 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -57.2 | -35.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 3011 | N | 79 | Confident | 88.2 | Confident | 152.2 Ų | 152.2 | 49.2 Ų | 49.2 | 81% | 0.814 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -121.3 | 84.7 | 173.8 | -67.3 | -32.2 | 0 | 0 | 0 | 109.2 | P3009 S3013 | P3009-N3011 PolarHBondContact O-N 2.95Å; P3009-N3011 VanDerWaalsContact O-N 3.15Å; N3011-S3013 PolarHBondContact O-N 2.93Å |
| 3012 | P | 76.1 | Confident | 88.3 | Confident | 40.6 Ų | 40.6 | 47.9 Ų | 47.9 | 26% | 0.264 | 26% | 0.26 | S | S | . | . | trans | -67 | 133.3 | -179.2 | 27.2 | -31.9 | 0 | 0 | 0 | 111.1 | Q2949 P3009 N3016 | Q2949-P3012 HydrophobicContact CB-CG 3.86Å; Q2949-P3012 HydrophobicContact CG-CG 4.36Å; P3009-P3012 HydrophobicContact CG-CB 4.2Å; P3009-P3012 WeakPolarHBondContact O-CD 3.39Å; P3012-N3016 WeakPolarHBondContact CA-ND2 3.33Å; P3012-N3016 WeakPolarHBondContact CA-OD1 3.42Å; P3012-N3016 WeakPolarHBondContact CB-ND2 3.39Å | ||
| 3013 | S | 77.7 | Confident | 88.1 | Confident | 73.2 Ų | 73.2 | 49.2 Ų | 49.2 | 51% | 0.512 | 27% | 0.269 | S | S | . | . | trans | -70.7 | 172.4 | 162.6 | 59.3 | 0 | 0 | 0 | 0 | 110.1 | N3011 F3015 N3016 | N3011-S3013 PolarHBondContact O-N 2.93Å; S3013-F3015 PolarHBondContact O-N 2.99Å; S3013-F3015 VanDerWaalsContact O-N 3.13Å; S3013-F3015 PolarHBondContact OG-O 3.05Å; S3013-N3016 PolarHBondContact N-ND2 3.29Å; S3013-N3016 PolarHBondContact N-OD1 3.09Å; S3013-N3016 VanDerWaalsContact N-OD1 3.08Å; S3013-N3016 PolarHBondContact O-ND2 3.04Å; S3013-N3016 PolarHBondContact OG-OD1 3.02Å; S3013-N3016 VanDerWaalsContact OG-OD1 3.05Å | ||
| 3014 | L | 74.3 | Confident | 88 | Confident | 135.4 Ų | 135.4 | 48.8 Ų | 48.8 | 71% | 0.709 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -58.7 | -21.8 | 177.2 | -68.7 | 171 | 0 | 0 | 0 | 113.4 | L2707 Y2708 | L2707-L3014 VanDerWaalsContact O-CD1 3.3Å; L2707-L3014 WeakPolarHBondContact O-CD1 3.36Å; Y2708-L3014 HydrophobicContact CD2-CB 4.33Å |
| 3015 | F | 79.9 | Confident | 87.5 | Confident | 59.4 Ų | 59.4 | 51.3 Ų | 51.3 | 26% | 0.261 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -141.9 | 118.9 | 172.7 | -165.9 | -98.1 | 0 | 0 | 0 | 109.8 | L2707 Y2708 P2746 E2945 N2946 S3013 | L2707-F3015 HydrophobicContact CB-CB 4.4Å; L2707-F3015 HydrophobicContact CD1-CB 3.72Å; L2707-F3015 HydrophobicContact CD1-CD1 3.83Å; L2707-F3015 HydrophobicContact CD1-CE1 4.37Å; L2707-F3015 HydrophobicContact CD1-CG 3.93Å; Y2708-F3015 HydrophobicContact CD2-CB 4.26Å; Y2708-F3015 HydrophobicContact CE2-CB 4.23Å; Y2708-F3015 HydrophobicContact CE2-CD2 4.08Å; Y2708-F3015 HydrophobicContact CE2-CG 4.41Å; P2746-F3015 HydrophobicContact CB-CD2 3.66Å; P2746-F3015 HydrophobicContact CB-CE2 3.59Å; P2746-F3015 HydrophobicContact CB-CG 4.24Å; P2746-F3015 HydrophobicContact CB-CZ 4.12Å; P2746-F3015 HydrophobicContact CG-CD1 4.01Å; P2746-F3015 HydrophobicContact CG-CD2 3.78Å; P2746-F3015 HydrophobicContact CG-CE1 3.8Å; P2746-F3015 HydrophobicContact CG-CE2 3.57Å; P2746-F3015 VanDerWaalsContact CG-CE2 3.47Å; P2746-F3015 HydrophobicContact CG-CG 3.99Å; P2746-F3015 HydrophobicContact CG-CZ 3.57Å; E2945-F3015 HydrophobicContact CB-CE1 4.47Å; E2945-F3015 HydrophobicContact CB-CE2 4.19Å; E2945-F3015 HydrophobicContact CB-CZ 3.69Å; E2945-F3015 HydrophobicContact CG-CZ 4.39Å; N2946-F3015 HydrophobicContact CB-CD2 4.34Å; N2946-F3015 HydrophobicContact CB-CE2 3.98Å; S3013-F3015 PolarHBondContact O-N 2.99Å; S3013-F3015 VanDerWaalsContact O-N 3.13Å; S3013-F3015 PolarHBondContact OG-O 3.05Å |
| 3016 | N | 83.7 | Confident | 86.8 | Confident | 16.4 Ų | 16.4 | 54.4 Ų | 54.4 | 9% | 0.088 | 29% | 0.291 | C | S | . | . | trans | -113.9 | 128.7 | 178.5 | -56.6 | -77.9 | 0 | 0 | 0 | 109.5 | E2945 N2946 F2947 P3009 P3012 S3013 | E2945-N3016 CarbonylContact C-O 3.56Å; E2945-N3016 VanDerWaalsContact CA-O 3.27Å; E2945-N3016 WeakPolarHBondContact CA-O 3.33Å; N2946-N3016 PolarHBondContact N-O 3.4Å; F2947-N3016 HydrophobicContact CB-CB 4.21Å; F2947-N3016 PolarHBondContact N-O 3.01Å; F2947-N3016 PolarHBondContact O-ND2 3.19Å; P3009-N3016 HydrophobicContact CG-CB 3.93Å; P3009-N3016 WeakPolarHBondContact CG-OD1 3.05Å; P3012-N3016 WeakPolarHBondContact CA-ND2 3.33Å; P3012-N3016 WeakPolarHBondContact CA-OD1 3.42Å; P3012-N3016 WeakPolarHBondContact CB-ND2 3.39Å; S3013-N3016 PolarHBondContact N-ND2 3.29Å; S3013-N3016 PolarHBondContact N-OD1 3.09Å; S3013-N3016 VanDerWaalsContact N-OD1 3.08Å; S3013-N3016 PolarHBondContact O-ND2 3.04Å; S3013-N3016 PolarHBondContact OG-OD1 3.02Å; S3013-N3016 VanDerWaalsContact OG-OD1 3.05Å | ||
| 3017 | S | 85.5 | Confident | 86.2 | Confident | 57.4 Ų | 57.4 | 55 Ų | 55 | 40% | 0.401 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.3 | 179.4 | 178.8 | 0 | 0 | 0 | 0 | 109.6 | E2945 | E2945-S3017 VanDerWaalsContact CG-OG 3.3Å; E2945-S3017 WeakPolarHBondContact CG-OG 3.25Å; E2945-S3017 WeakPolarHBondContact OE1-CB 3.27Å; E2945-S3017 PolarHBondContact OE1-OG 2.93Å |
| 3018 | Y | 88.9 | Confident | 85.3 | Confident | 42.6 Ų | 42.6 | 54.7 Ų | 54.7 | 17% | 0.167 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 121.7 | 174 | -73.9 | -75.8 | 0 | 0 | 0 | 109.6 | Y2943 L2944 F2947 L2970 N2990 V3006 K3007 P3009 L3020 | Y2943-Y3018 VanDerWaalsContact CA-O 3.28Å; Y2943-Y3018 WeakPolarHBondContact CA-O 3.3Å; L2944-Y3018 PolarHBondContact N-O 3.28Å; L2944-Y3018 PolarHBondContact O-N 2.86Å; F2947-Y3018 AromaticContact CD2-CD2 3.78Å; F2947-Y3018 HydrophobicContact CD2-CD2 3.78Å; F2947-Y3018 AromaticContact CD2-CE2 3.9Å; F2947-Y3018 HydrophobicContact CD2-CE2 3.9Å; F2947-Y3018 AromaticContact CE2-CD2 3.66Å; F2947-Y3018 HydrophobicContact CE2-CD2 3.66Å; F2947-Y3018 HydrophobicContact CE2-CE2 4.11Å; F2947-Y3018 HydrophobicContact CG-CE2 4.37Å; F2947-Y3018 HydrophobicContact CZ-CD2 4.47Å; L2970-Y3018 HydrophobicContact CD2-CD1 4.35Å; N2990-Y3018 VanDerWaalsContact ND2-CE1 3.28Å; N2990-Y3018 WeakPolarHBondContact ND2-CE1 3.4Å; N2990-Y3018 PolarHBondContact ND2-OH 3Å; V3006-Y3018 HydrophobicContact CG1-CD2 3.64Å; V3006-Y3018 VanDerWaalsContact CG1-CD2 3.48Å; V3006-Y3018 HydrophobicContact CG1-CE2 4.08Å; V3006-Y3018 HydrophobicContact CG1-CG 4.02Å; K3007-Y3018 VanDerWaalsContact O-CE2 3.29Å; K3007-Y3018 WeakPolarHBondContact O-CE2 3.25Å; K3007-Y3018 PolarHBondContact O-OH 2.84Å; K3007-Y3018 VanDerWaalsContact O-OH 3.1Å; P3009-Y3018 WeakPolarHBondContact CA-OH 3.43Å; P3009-Y3018 HydrophobicContact CB-CE2 4.49Å; P3009-Y3018 VanDerWaalsContact CD-OH 3.31Å; P3009-Y3018 WeakPolarHBondContact CD-OH 3.33Å; P3009-Y3018 HydrophobicContact CG-CE2 4.46Å; Y3018-L3020 PolarHBondContact O-N 2.95Å |
| 3019 | R | 91.2 | Very high | 84.5 | Confident | 111.6 Ų | 111.6 | 54.5 Ų | 54.5 | 42% | 0.421 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 113.5 | 164.8 | -170.7 | 177.2 | -172.8 | -172.2 | 1.5 | 109.4 | G2942 Y2943 S2971 | G2942-R3019 CarbonylContact O-C 3.55Å; Y2943-R3019 HydrophobicContact CD1-CB 4.23Å; Y2943-R3019 HydrophobicContact CD1-CG 4.36Å; Y2943-R3019 HydrophobicContact CE1-CB 3.9Å; Y2943-R3019 HydrophobicContact CE1-CG 3.77Å; Y2943-R3019 PolarHBondContact OH-NE 2.91Å; S2971-R3019 PolarHBondContact N-O 3.01Å |
| 3020 | L | 93.3 | Very high | 84 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 136.3 | 174.5 | -51.1 | -179.7 | 0 | 0 | 0 | 110 | Y2875 Y2940 I2941 G2942 L2944 V2969 L2970 Y3004 V3006 Y3018 V3022 | Y2875-L3020 HydrophobicContact CD2-CD1 4.33Å; Y2875-L3020 HydrophobicContact CE2-CD1 3.9Å; Y2940-L3020 HydrophobicContact CE2-CD1 4.37Å; I2941-L3020 WeakPolarHBondContact CA-O 3.38Å; G2942-L3020 PolarHBondContact N-O 2.94Å; G2942-L3020 VanDerWaalsContact N-O 3.09Å; G2942-L3020 PolarHBondContact O-N 3.03Å; L2944-L3020 HydrophobicContact CB-CD1 4.28Å; L2944-L3020 HydrophobicContact CB-CD2 4.24Å; L2944-L3020 HydrophobicContact CB-CG 4.36Å; L2944-L3020 HydrophobicContact CD1-CD1 3.84Å; L2944-L3020 HydrophobicContact CD1-CD2 4.23Å; L2944-L3020 HydrophobicContact CD1-CG 4.41Å; L2944-L3020 HydrophobicContact CG-CD1 4Å; V2969-L3020 HydrophobicContact CG1-CD2 4.32Å; V2969-L3020 CarbonylContact O-C 3.55Å; V2969-L3020 VanDerWaalsContact O-CA 3.32Å; V2969-L3020 WeakPolarHBondContact O-CA 3.28Å; L2970-L3020 HydrophobicContact CD2-CD2 4.24Å; Y3004-L3020 HydrophobicContact CE2-CD1 4.33Å; V3006-L3020 HydrophobicContact CG2-CD2 4.05Å; Y3018-L3020 PolarHBondContact O-N 2.95Å; L3020-V3022 HydrophobicContact CB-CG2 4.23Å |
| 3021 | W | 93.5 | Very high | 83.5 | Confident | 112.4 Ų | 112.4 | 56.4 Ų | 56.4 | 43% | 0.426 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 71.8 | 170.1 | -143.3 | -28.5 | 0 | 0 | 0 | 107.3 | I2941 Q2968 V2969 S3023 | I2941-W3021 HydrophobicContact CG2-CD2 4.32Å; I2941-W3021 HydrophobicContact CG2-CE3 4.29Å; Q2968-W3021 CarbonylContact C-O 3.41Å; V2969-W3021 CarbonylContact C-O 3.53Å; V2969-W3021 CarbonylContact O-C 3.48Å; V2969-W3021 PolarHBondContact O-N 3.24Å; W3021-S3023 PolarHBondContact O-N 2.92Å |
| 3022 | V | 95.8 | Very high | 83.3 | Confident | 0.6 Ų | 0.6 | 51.3 Ų | 51.3 | 0% | 0.004 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 125.8 | -176.5 | 176.8 | 0 | 0 | 0 | 0 | 108.8 | S2939 Y2940 Q2968 V2969 Y3004 L3020 F3024 | S2939-V3022 CarbonylContact C-O 3.57Å; S2939-V3022 WeakPolarHBondContact CA-O 3.28Å; S2939-V3022 VanDerWaalsContact CB-O 3.3Å; S2939-V3022 WeakPolarHBondContact CB-O 3.39Å; Y2940-V3022 HydrophobicContact CD1-CB 4Å; Y2940-V3022 HydrophobicContact CD1-CG1 4.04Å; Y2940-V3022 HydrophobicContact CD2-CB 3.95Å; Y2940-V3022 HydrophobicContact CD2-CG2 4.12Å; Y2940-V3022 HydrophobicContact CE1-CB 3.77Å; Y2940-V3022 HydrophobicContact CE1-CG1 3.58Å; Y2940-V3022 HydrophobicContact CE1-CG2 4.16Å; Y2940-V3022 HydrophobicContact CE2-CB 3.72Å; Y2940-V3022 HydrophobicContact CE2-CG1 4.4Å; Y2940-V3022 HydrophobicContact CE2-CG2 3.47Å; Y2940-V3022 VanDerWaalsContact CE2-CG2 3.45Å; Y2940-V3022 HydrophobicContact CG-CB 4.1Å; Y2940-V3022 VanDerWaalsContact CZ-CG2 3.48Å; Y2940-V3022 PolarHBondContact N-O 3.15Å; Y2940-V3022 PolarHBondContact O-N 3.22Å; Q2968-V3022 CarbonylContact O-C 3.51Å; Q2968-V3022 VanDerWaalsContact O-CA 3.3Å; Q2968-V3022 WeakPolarHBondContact O-CA 3.42Å; V2969-V3022 HydrophobicContact CG1-CG2 4.32Å; Y3004-V3022 HydrophobicContact CE1-CG1 4.48Å; Y3004-V3022 HydrophobicContact CE1-CG2 4.14Å; L3020-V3022 HydrophobicContact CB-CG2 4.23Å; V3022-F3024 HydrophobicContact CG1-CD1 4.36Å; V3022-F3024 HydrophobicContact CG1-CD2 4.07Å; V3022-F3024 HydrophobicContact CG1-CE1 3.81Å; V3022-F3024 HydrophobicContact CG1-CE2 3.46Å; V3022-F3024 VanDerWaalsContact CG1-CE2 3.45Å; V3022-F3024 HydrophobicContact CG1-CG 4.45Å; V3022-F3024 HydrophobicContact CG1-CZ 3.33Å |
| 3023 | S | 94.2 | Very high | 83.2 | Confident | 26.4 Ų | 26.4 | 55 Ų | 55 | 19% | 0.185 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 106.6 | 176.8 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | V2967 Q2968 W3021 Y3025 | V2967-S3023 CarbonylContact C-O 3.55Å; V2967-S3023 VanDerWaalsContact CA-O 3.3Å; V2967-S3023 WeakPolarHBondContact CA-O 3.38Å; Q2968-S3023 PolarHBondContact N-O 2.92Å; Q2968-S3023 PolarHBondContact O-N 2.8Å; W3021-S3023 PolarHBondContact O-N 2.92Å; S3023-Y3025 WeakPolarHBondContact OG-CD1 3.42Å |
| 3024 | F | 94 | Very high | 82.9 | Confident | 0.6 Ų | 0.6 | 56.1 Ų | 56.1 | 0% | 0.003 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 116.3 | 172.3 | -48.3 | -38.8 | 0 | 0 | 0 | 106.8 | N2937 L2938 H2957 M2960 P2964 V2967 V2969 V2993 I3002 Y3004 V3022 | N2937-F3024 CarbonylContact C-O 3.55Å; N2937-F3024 VanDerWaalsContact CA-O 3.25Å; N2937-F3024 WeakPolarHBondContact CA-O 3.26Å; L2938-F3024 HydrophobicContact CB-CD2 4.23Å; L2938-F3024 HydrophobicContact CD2-CD2 4.29Å; L2938-F3024 HydrophobicContact CD2-CE2 4.46Å; L2938-F3024 HydrophobicContact CG-CD2 4.48Å; L2938-F3024 PolarHBondContact N-O 3.13Å; L2938-F3024 PolarHBondContact O-N 3.12Å; H2957-F3024 AromaticContact CD2-CE2 3.87Å; M2960-F3024 HydrophobicContact CE-CB 4.03Å; M2960-F3024 HydrophobicContact CE-CD2 4.43Å; P2964-F3024 HydrophobicContact CB-CB 4.31Å; P2964-F3024 HydrophobicContact CG-CB 4.02Å; V2967-F3024 HydrophobicContact CB-CD1 3.81Å; V2967-F3024 HydrophobicContact CB-CE1 4.25Å; V2967-F3024 HydrophobicContact CG1-CB 4.45Å; V2967-F3024 HydrophobicContact CG1-CD1 3.71Å; V2967-F3024 HydrophobicContact CG1-CE1 4.44Å; V2967-F3024 HydrophobicContact CG1-CG 4.42Å; V2969-F3024 HydrophobicContact CG2-CE1 4.04Å; V2969-F3024 HydrophobicContact CG2-CZ 4.39Å; V2993-F3024 HydrophobicContact CG1-CE1 4.11Å; V2993-F3024 HydrophobicContact CG2-CE1 4.28Å; I3002-F3024 HydrophobicContact CD1-CB 4.24Å; I3002-F3024 HydrophobicContact CD1-CD1 3.96Å; I3002-F3024 HydrophobicContact CD1-CD2 4.06Å; I3002-F3024 HydrophobicContact CD1-CE1 4.33Å; I3002-F3024 HydrophobicContact CD1-CE2 4.37Å; I3002-F3024 HydrophobicContact CD1-CG 3.81Å; I3002-F3024 HydrophobicContact CD1-CZ 4.45Å; I3002-F3024 HydrophobicContact CG1-CD2 4.48Å; I3002-F3024 HydrophobicContact CG1-CE2 4.43Å; I3002-F3024 HydrophobicContact CG2-CD2 3.66Å; I3002-F3024 HydrophobicContact CG2-CE2 3.61Å; I3002-F3024 HydrophobicContact CG2-CG 4.45Å; I3002-F3024 HydrophobicContact CG2-CZ 4.38Å; Y3004-F3024 HydrophobicContact CD1-CE2 4.49Å; Y3004-F3024 AromaticContact CD1-CZ 3.82Å; Y3004-F3024 HydrophobicContact CD1-CZ 3.82Å; Y3004-F3024 HydrophobicContact CE1-CZ 4.35Å; V3022-F3024 HydrophobicContact CG1-CD1 4.36Å; V3022-F3024 HydrophobicContact CG1-CD2 4.07Å; V3022-F3024 HydrophobicContact CG1-CE1 3.81Å; V3022-F3024 HydrophobicContact CG1-CE2 3.46Å; V3022-F3024 VanDerWaalsContact CG1-CE2 3.45Å; V3022-F3024 HydrophobicContact CG1-CG 4.45Å; V3022-F3024 HydrophobicContact CG1-CZ 3.33Å |
| 3025 | Y | 87.8 | Confident | 82.6 | Confident | 51.2 Ų | 51.2 | 50.7 Ų | 50.7 | 20% | 0.201 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 146.6 | -179.1 | 64.4 | -82.8 | 0 | 0 | 0 | 112.9 | N2937 D2965 R2966 P2975 S3023 C3027 | N2937-Y3025 VanDerWaalsContact OD1-CA 3.23Å; N2937-Y3025 WeakPolarHBondContact OD1-CA 3.4Å; N2937-Y3025 WeakPolarHBondContact OD1-CB 3.26Å; D2965-Y3025 PolarHBondContact N-O 3.08Å; D2965-Y3025 VanDerWaalsContact N-O 3.09Å; R2966-Y3025 HydrophobicContact CB-CD1 4.34Å; R2966-Y3025 HydrophobicContact CB-CD2 4.42Å; R2966-Y3025 HydrophobicContact CB-CE1 3.68Å; R2966-Y3025 HydrophobicContact CB-CE2 3.85Å; R2966-Y3025 VanDerWaalsContact CB-CZ 3.42Å; R2966-Y3025 WeakPolarHBondContact CB-OH 3.42Å; R2966-Y3025 HydrophobicContact CG-CE2 4.2Å; R2966-Y3025 PolarHBondContact N-O 3.15Å; R2966-Y3025 VanDerWaalsContact N-O 3.17Å; R2966-Y3025 PolarHBondContact O-N 2.98Å; R2966-Y3025 VanDerWaalsContact O-N 3.1Å; P2975-Y3025 HydrophobicContact CB-CE1 4.4Å; S3023-Y3025 WeakPolarHBondContact OG-CD1 3.42Å; Y3025-C3027 VanDerWaalsContact CE2-SG 3.6Å; Y3025-C3027 WeakPolarHBondContact CE2-SG 3.42Å |
| 3026 | K | 82.8 | Confident | 81.9 | Confident | 65.8 Ų | 65.8 | 53.1 Ų | 53.1 | 29% | 0.286 | 28% | 0.281 | S | S | . | . | trans | -83.6 | 134.6 | 163.2 | -164.3 | 178.4 | -176.8 | 175.9 | 0 | 109.2 | T2936 N2937 I2962 D2965 S3157 | T2936-K3026 HydrophobicContact CG2-CB 4.32Å; T2936-K3026 HydrophobicContact CG2-CD 4.4Å; N2937-K3026 PolarHBondContact OD1-N 2.93Å; I2962-K3026 HydrophobicContact CG2-CD 4.08Å; D2965-K3026 WeakPolarHBondContact OD2-CA 3.39Å; D2965-K3026 WeakPolarHBondContact OD2-CG 3.38Å; K3026-S3157 PolarHBondContact NZ-OG 3.45Å; K3026-S3157 VanDerWaalsContact NZ-OG 3.13Å | ||
| 3027 | C | 82 | Confident | 80.6 | Confident | 13.4 Ų | 13.4 | 57.1 Ų | 57.1 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | trans | -79 | 150.9 | 174.2 | -72.7 | 0 | 0 | 0 | 0 | 110.4 | D2965 Y3025 F3029 C3032 | D2965-C3027 HydrophobicContact CB-CB 4.29Å; D2965-C3027 PolarHBondContact OD2-N 3.1Å; Y3025-C3027 VanDerWaalsContact CE2-SG 3.6Å; Y3025-C3027 WeakPolarHBondContact CE2-SG 3.42Å; C3027-F3029 VanDerWaalsContact CB-O 3.27Å; C3027-F3029 WeakPolarHBondContact CB-O 3.31Å; C3027-C3032 HydrophobicContact CB-CB 3.75Å; C3027-C3032 WeakPolarHBondContact CB-SG 3.33Å; C3027-C3032 WeakPolarHBondContact SG-CB 3.38Å; C3027-C3032 CovalentContact SG-SG 2.02Å; C3027-C3032 PolarHBondContact SG-SG 3.07Å | ||
| 3028 | F | 75.5 | Confident | 79.1 | Confident | 41.6 Ų | 41.6 | 57.1 Ų | 57.1 | 18% | 0.182 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -67.8 | -39.6 | 174.2 | -81.2 | -42.3 | 0 | 0 | 0 | 111.2 | D3159 G3160 P3161 Q3297 R3328 I3337 | F3028-D3159 CarbonylContact O-C 3.57Å; F3028-G3160 CarbonylContact O-C 3.5Å; F3028-G3160 VanDerWaalsContact O-C 3.28Å; F3028-G3160 VanDerWaalsContact O-CA 3.31Å; F3028-G3160 WeakPolarHBondContact O-CA 3.34Å; F3028-G3160 PolarHBondContact O-N 3.04Å; F3028-G3160 VanDerWaalsContact O-O 3.07Å; F3028-P3161 HydrophobicContact CB-CG 4.44Å; F3028-P3161 VanDerWaalsContact CD1-CA 3.49Å; F3028-P3161 HydrophobicContact CD1-CB 4.19Å; F3028-P3161 HydrophobicContact CD1-CG 4.3Å; F3028-P3161 HydrophobicContact CD2-CG 4.14Å; F3028-P3161 HydrophobicContact CE1-CB 4.11Å; F3028-P3161 HydrophobicContact CE1-CG 4.39Å; F3028-P3161 HydrophobicContact CE2-CB 4.39Å; F3028-P3161 VanDerWaalsContact CE2-CD 3.42Å; F3028-P3161 HydrophobicContact CE2-CG 4.1Å; F3028-P3161 HydrophobicContact CG-CB 4.41Å; F3028-P3161 HydrophobicContact CG-CG 4.15Å; F3028-P3161 HydrophobicContact CZ-CB 4.12Å; F3028-P3161 HydrophobicContact CZ-CG 4.31Å; F3028-Q3297 HydrophobicContact CE1-CG 4.09Å; F3028-Q3297 HydrophobicContact CZ-CG 3.84Å; F3028-R3328 HydrophobicContact CE1-CB 4.42Å; F3028-R3328 WeakPolarHBondContact CE1-O 3.3Å; F3028-R3328 HydrophobicContact CE2-CG 4.44Å; F3028-R3328 HydrophobicContact CZ-CB 3.88Å; F3028-R3328 HydrophobicContact CZ-CG 4.09Å; F3028-R3328 WeakPolarHBondContact CZ-O 3.44Å; F3028-I3337 HydrophobicContact CE2-CG2 3.95Å; F3028-I3337 HydrophobicContact CZ-CG2 4.15Å |
| 3029 | F | 74.9 | Confident | 77.5 | Confident | 10.2 Ų | 10.2 | 59.9 Ų | 59.9 | 5% | 0.045 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -113.2 | 151.9 | 179.9 | -56.6 | -72.8 | 0 | 0 | 0 | 110 | C3027 D3031 C3032 I3033 V3034 P3035 D3159 Q3297 L3299 | C3027-F3029 VanDerWaalsContact CB-O 3.27Å; C3027-F3029 WeakPolarHBondContact CB-O 3.31Å; F3029-D3031 PolarHBondContact O-N 2.96Å; F3029-C3032 WeakPolarHBondContact O-CA 3.28Å; F3029-C3032 PolarHBondContact O-N 2.89Å; F3029-I3033 VanDerWaalsContact CB-O 3.25Å; F3029-I3033 WeakPolarHBondContact CB-O 3.4Å; F3029-V3034 HydrophobicContact CD2-CB 4.34Å; F3029-V3034 HydrophobicContact CD2-CG1 4.43Å; F3029-V3034 HydrophobicContact CD2-CG2 4.11Å; F3029-V3034 HydrophobicContact CE2-CB 4.41Å; F3029-V3034 HydrophobicContact CE2-CG1 4.09Å; F3029-V3034 HydrophobicContact CE2-CG2 4.23Å; F3029-P3035 VanDerWaalsContact CD1-CD 3.43Å; F3029-P3035 HydrophobicContact CD1-CG 3.83Å; F3029-P3035 HydrophobicContact CE1-CG 4.06Å; F3029-P3035 VanDerWaalsContact CG-CD 3.47Å; F3029-P3035 HydrophobicContact CG-CG 4.25Å; F3029-P3035 HydrophobicContact CZ-CG 4.42Å; F3029-D3159 WeakPolarHBondContact CA-OD1 3.39Å; F3029-Q3297 HydrophobicContact CE1-CG 3.89Å; F3029-Q3297 HydrophobicContact CZ-CG 3.62Å; F3029-Q3297 VanDerWaalsContact CZ-NE2 3.35Å; F3029-L3299 HydrophobicContact CD1-CB 3.86Å; F3029-L3299 HydrophobicContact CD1-CD2 4.48Å; F3029-L3299 HydrophobicContact CE1-CB 4.08Å |
| 3030 | T | 73.4 | Confident | 75.9 | Confident | 82.8 Ų | 82.8 | 57.5 Ų | 57.5 | 51% | 0.508 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -47.4 | 133.8 | 171.8 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | C3032 I3033 D3159 | T3030-C3032 PolarHBondContact O-N 2.87Å; T3030-I3033 PolarHBondContact O-N 3.05Å; T3030-D3159 WeakPolarHBondContact CB-OD2 3.4Å; T3030-D3159 PolarHBondContact N-OD1 2.89Å; T3030-D3159 PolarHBondContact N-OD2 3Å; T3030-D3159 VanDerWaalsContact OG1-CG 3.3Å; T3030-D3159 PolarHBondContact OG1-OD1 3.25Å; T3030-D3159 PolarHBondContact OG1-OD2 3.18Å |
| 3031 | D | 69.6 | Low | 74.4 | Confident | 90.4 Ų | 90.4 | 60.7 Ų | 60.7 | 48% | 0.483 | 36% | 0.356 | S | S | . | . | G | 310 helix | trans | 57.7 | 10.5 | -176.1 | -67.6 | -46.5 | 0 | 0 | 0 | 116.8 | R2966 F3029 I3033 | R2966-D3031 PolarHBondContact NH2-O 3.14Å; R2966-D3031 VanDerWaalsContact NH2-O 3.13Å; R2966-D3031 IonicContact NH2-OD1 3.2Å; F3029-D3031 PolarHBondContact O-N 2.96Å; D3031-I3033 VanDerWaalsContact C-N 3.29Å; D3031-I3033 HydrophobicContact CB-CD1 4.13Å; D3031-I3033 HydrophobicContact CB-CG1 4.19Å; D3031-I3033 PolarHBondContact O-N 3.04Å |
| 3032 | C | 75.7 | Confident | 72.9 | Confident | 45.4 Ų | 45.4 | 60.9 Ų | 60.9 | 31% | 0.307 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | 65.7 | 19.2 | -175.1 | -37.6 | 0 | 0 | 0 | 0 | 113.8 | R2966 C3027 F3029 T3030 V3034 | R2966-C3032 VanDerWaalsContact CG-SG 3.52Å; R2966-C3032 WeakPolarHBondContact CG-SG 3.33Å; C3027-C3032 HydrophobicContact CB-CB 3.75Å; C3027-C3032 WeakPolarHBondContact CB-SG 3.33Å; C3027-C3032 WeakPolarHBondContact SG-CB 3.38Å; C3027-C3032 CovalentContact SG-SG 2.02Å; C3027-C3032 PolarHBondContact SG-SG 3.07Å; F3029-C3032 WeakPolarHBondContact O-CA 3.28Å; F3029-C3032 PolarHBondContact O-N 2.89Å; T3030-C3032 PolarHBondContact O-N 2.87Å; C3032-V3034 PolarHBondContact O-N 2.67Å |
| 3033 | I | 74.3 | Confident | 71.6 | Confident | 118 Ų | 118 | 63.3 Ų | 63.3 | 61% | 0.605 | 38% | 0.382 | S | S | * | . | trans | -90.5 | 112.6 | 177.9 | -59.2 | 174.6 | 0 | 0 | 0 | 107.8 | F3029 T3030 D3031 P3035 | F3029-I3033 VanDerWaalsContact CB-O 3.25Å; F3029-I3033 WeakPolarHBondContact CB-O 3.4Å; T3030-I3033 PolarHBondContact O-N 3.05Å; D3031-I3033 VanDerWaalsContact C-N 3.29Å; D3031-I3033 HydrophobicContact CB-CD1 4.13Å; D3031-I3033 HydrophobicContact CB-CG1 4.19Å; D3031-I3033 PolarHBondContact O-N 3.04Å; I3033-P3035 VanDerWaalsContact O-CD 3.31Å; I3033-P3035 WeakPolarHBondContact O-CD 3.37Å | ||
| 3034 | V | 70 | Confident | 70.7 | Confident | 95.6 Ų | 95.6 | 66.6 Ų | 66.6 | 58% | 0.579 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 122.2 | 172 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | F3029 C3032 S3036 Q3297 | F3029-V3034 HydrophobicContact CD2-CB 4.34Å; F3029-V3034 HydrophobicContact CD2-CG1 4.43Å; F3029-V3034 HydrophobicContact CD2-CG2 4.11Å; F3029-V3034 HydrophobicContact CE2-CB 4.41Å; F3029-V3034 HydrophobicContact CE2-CG1 4.09Å; F3029-V3034 HydrophobicContact CE2-CG2 4.23Å; C3032-V3034 PolarHBondContact O-N 2.67Å; V3034-S3036 PolarHBondContact O-N 2.92Å; V3034-Q3297 VanDerWaalsContact CG1-NE2 3.3Å |
| 3035 | P | 68.3 | Low | 69.9 | Low | 23.2 Ų | 23.2 | 67.9 Ų | 67.9 | 15% | 0.151 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 136.8 | 176.1 | -21.7 | 31.2 | 0 | 0 | 0 | 110.8 | F3029 I3033 S3037 L3299 I3304 | F3029-P3035 VanDerWaalsContact CD1-CD 3.43Å; F3029-P3035 HydrophobicContact CD1-CG 3.83Å; F3029-P3035 HydrophobicContact CE1-CG 4.06Å; F3029-P3035 VanDerWaalsContact CG-CD 3.47Å; F3029-P3035 HydrophobicContact CG-CG 4.25Å; F3029-P3035 HydrophobicContact CZ-CG 4.42Å; I3033-P3035 VanDerWaalsContact O-CD 3.31Å; I3033-P3035 WeakPolarHBondContact O-CD 3.37Å; P3035-S3037 PolarHBondContact O-N 3.19Å; P3035-L3299 HydrophobicContact CB-CD1 4.14Å; P3035-L3299 HydrophobicContact CG-CB 4.47Å; P3035-L3299 HydrophobicContact CG-CD1 3.77Å; P3035-L3299 HydrophobicContact CG-CD2 3.73Å; P3035-L3299 HydrophobicContact CG-CG 4.18Å; P3035-I3304 HydrophobicContact CB-CD1 3.59Å; P3035-I3304 VanDerWaalsContact CB-CD1 3.46Å; P3035-I3304 HydrophobicContact CB-CG1 3.82Å; P3035-I3304 HydrophobicContact CB-CG2 4.25Å; P3035-I3304 HydrophobicContact CG-CG1 4.45Å |
| 3036 | S | 64.7 | Low | 69.7 | Low | 108.8 Ų | 108.8 | 68.8 Ų | 68.8 | 76% | 0.761 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 110.1 | 179.8 | 52.1 | 0 | 0 | 0 | 0 | 111 | V3034 S3038 I3304 | V3034-S3036 PolarHBondContact O-N 2.92Å; S3036-S3038 PolarHBondContact O-N 2.93Å; S3036-S3038 VanDerWaalsContact O-N 3.16Å; S3036-I3304 WeakPolarHBondContact O-CD1 3.34Å |
| 3037 | S | 56.8 | Low | 70.1 | Confident | 100.2 Ų | 100.2 | 69.4 Ų | 69.4 | 70% | 0.701 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 123.5 | -175.1 | 55.8 | 0 | 0 | 0 | 0 | 113.1 | P3035 I3304 | P3035-S3037 PolarHBondContact O-N 3.19Å; S3037-I3304 WeakPolarHBondContact O-CD1 3.38Å; S3037-I3304 WeakPolarHBondContact O-CG1 3.4Å |
| 3038 | S | 53.7 | Low | 70.5 | Confident | 58.6 Ų | 58.6 | 71 Ų | 71 | 41% | 0.41 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -89.9 | 155.7 | 168.1 | 58.6 | 0 | 0 | 0 | 0 | 111 | S3036 V3040 I3304 N3306 | S3036-S3038 PolarHBondContact O-N 2.93Å; S3036-S3038 VanDerWaalsContact O-N 3.16Å; S3038-V3040 PolarHBondContact O-N 3.02Å; S3038-I3304 WeakPolarHBondContact OG-CG2 3.4Å; S3038-I3304 PolarHBondContact OG-O 3.42Å; S3038-N3306 PolarHBondContact OG-ND2 2.65Å |
| 3039 | S | 56.2 | Low | 71.1 | Confident | 101.8 Ų | 101.8 | 76.4 Ų | 76.4 | 71% | 0.712 | 47% | 0.466 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 125.9 | 173 | 53 | 0 | 0 | 0 | 0 | 110.9 | S3041 I3304 N3306 | S3039-S3041 PolarHBondContact O-N 3.24Å; S3039-I3304 PolarHBondContact N-O 2.85Å; S3039-I3304 PolarHBondContact OG-O 2.78Å; S3039-N3306 PolarHBondContact O-ND2 3.42Å |
| 3040 | V | 58.2 | Low | 71.9 | Confident | 60.8 Ų | 60.8 | 82 Ų | 82 | 37% | 0.368 | 50% | 0.496 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 119.6 | 173.7 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | S3038 V3042 N3306 Q3308 I3345 | S3038-V3040 PolarHBondContact O-N 3.02Å; V3040-V3042 PolarHBondContact O-N 3.04Å; V3040-N3306 HydrophobicContact CG1-CB 4.49Å; V3040-N3306 HydrophobicContact CG2-CB 4.25Å; V3040-Q3308 HydrophobicContact CG1-CG 4.27Å; V3040-I3345 HydrophobicContact CB-CD1 4.31Å; V3040-I3345 HydrophobicContact CG1-CD1 3.92Å; V3040-I3345 HydrophobicContact CG2-CD1 4.15Å |
| 3041 | S | 60 | Low | 72.8 | Confident | 66.2 Ų | 66.2 | 78.5 Ų | 78.5 | 46% | 0.463 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -73 | 130.1 | 173.9 | 51.6 | 0 | 0 | 0 | 0 | 110.3 | S3039 L3043 N3306 Q3308 | S3039-S3041 PolarHBondContact O-N 3.24Å; S3041-L3043 PolarHBondContact O-N 3.35Å; S3041-N3306 PolarHBondContact OG-O 3.41Å; S3041-Q3308 PolarHBondContact O-NE2 3.03Å; S3041-Q3308 PolarHBondContact OG-NE2 3.49Å |
| 3042 | V | 63.1 | Low | 74 | Confident | 117 Ų | 117 | 76.8 Ų | 76.8 | 71% | 0.709 | 47% | 0.466 | S | S | * | . | trans | -79.9 | 114.9 | 169.8 | -177.6 | 0 | 0 | 0 | 0 | 107.3 | V3040 D3044 Q3127 | V3040-V3042 PolarHBondContact O-N 3.04Å; V3042-D3044 PolarHBondContact O-N 2.85Å; V3042-D3044 VanDerWaalsContact O-N 3.08Å; V3042-Q3127 PolarHBondContact O-NE2 3.39Å | ||
| 3043 | L | 68.9 | Low | 74.9 | Confident | 50.6 Ų | 50.6 | 77.4 Ų | 77.4 | 27% | 0.265 | 46% | 0.462 | S | S | . | . | trans | -69.2 | 132.7 | 174.4 | -126.1 | 81.3 | 0 | 0 | 0 | 110.2 | S3041 T3045 Q3127 L3129 L3133 I3173 K3310 | S3041-L3043 PolarHBondContact O-N 3.35Å; L3043-T3045 HydrophobicContact CD1-CG2 4.07Å; L3043-T3045 HydrophobicContact CD2-CG2 3.6Å; L3043-T3045 VanDerWaalsContact CD2-CG2 3.48Å; L3043-T3045 HydrophobicContact CG-CG2 3.56Å; L3043-T3045 VanDerWaalsContact CG-CG2 3.45Å; L3043-T3045 PolarHBondContact O-N 3.17Å; L3043-Q3127 HydrophobicContact CD2-CG 4.02Å; L3043-Q3127 VanDerWaalsContact CD2-NE2 3.29Å; L3043-L3129 HydrophobicContact CD1-CD2 3.93Å; L3043-L3133 HydrophobicContact CD2-CD2 4.31Å; L3043-I3173 HydrophobicContact CB-CD1 3.79Å; L3043-I3173 HydrophobicContact CD1-CB 4.26Å; L3043-I3173 HydrophobicContact CD1-CD1 4.08Å; L3043-I3173 HydrophobicContact CD1-CG1 4.14Å; L3043-I3173 HydrophobicContact CD1-CG2 3.84Å; L3043-I3173 HydrophobicContact CG-CD1 4.43Å; L3043-I3173 VanDerWaalsContact N-CD1 3.25Å; L3043-K3310 HydrophobicContact CD2-CD 4.07Å | ||
| 3044 | D | 74.2 | Confident | 75.9 | Confident | 97.2 Ų | 97.2 | 72.1 Ų | 72.1 | 52% | 0.52 | 44% | 0.435 | S | S | . | . | trans | -77.4 | 125.6 | 169.9 | -172.7 | 4.2 | 0 | 0 | 0 | 109.4 | V3042 S3046 W3081 Q3127 | V3042-D3044 PolarHBondContact O-N 2.85Å; V3042-D3044 VanDerWaalsContact O-N 3.08Å; D3044-S3046 VanDerWaalsContact CG-OG 3.26Å; D3044-S3046 VanDerWaalsContact OD1-CB 3.25Å; D3044-S3046 WeakPolarHBondContact OD1-CB 3.38Å; D3044-S3046 PolarHBondContact OD1-N 3.11Å; D3044-S3046 PolarHBondContact OD1-OG 3.19Å; D3044-S3046 PolarHBondContact OD2-OG 3.11Å; D3044-W3081 HydrophobicContact CB-CZ3 4.21Å; D3044-W3081 WeakPolarHBondContact O-CH2 3.35Å; D3044-Q3127 PolarHBondContact O-NE2 3.14Å; D3044-Q3127 PolarHBondContact O-OE1 3.32Å | ||
| 3045 | T | 77 | Confident | 77 | Confident | 26.4 Ų | 26.4 | 70.5 Ų | 70.5 | 16% | 0.162 | 43% | 0.428 | C | S | . | . | trans | -102.9 | 4.3 | 178.4 | 57.6 | 0 | 0 | 0 | 0 | 112.3 | L3043 R3047 L3129 L3133 | L3043-T3045 HydrophobicContact CD1-CG2 4.07Å; L3043-T3045 HydrophobicContact CD2-CG2 3.6Å; L3043-T3045 VanDerWaalsContact CD2-CG2 3.48Å; L3043-T3045 HydrophobicContact CG-CG2 3.56Å; L3043-T3045 VanDerWaalsContact CG-CG2 3.45Å; L3043-T3045 PolarHBondContact O-N 3.17Å; T3045-R3047 PolarHBondContact O-N 3.29Å; T3045-L3129 HydrophobicContact CG2-CD2 4.3Å; T3045-L3133 HydrophobicContact CG2-CD1 4.12Å; T3045-L3133 HydrophobicContact CG2-CD2 3.76Å; T3045-L3133 HydrophobicContact CG2-CG 3.9Å | ||
| 3046 | S | 84.5 | Confident | 78.1 | Confident | 70.2 Ų | 70.2 | 74.2 Ų | 74.2 | 49% | 0.491 | 44% | 0.441 | S | S | . | . | trans | -80.5 | 118.2 | 177.7 | 73 | 0 | 0 | 0 | 0 | 111.1 | D3044 P3048 W3081 | D3044-S3046 VanDerWaalsContact CG-OG 3.26Å; D3044-S3046 VanDerWaalsContact OD1-CB 3.25Å; D3044-S3046 WeakPolarHBondContact OD1-CB 3.38Å; D3044-S3046 PolarHBondContact OD1-N 3.11Å; D3044-S3046 PolarHBondContact OD1-OG 3.19Å; D3044-S3046 PolarHBondContact OD2-OG 3.11Å; S3046-P3048 WeakPolarHBondContact O-CD 3.37Å; S3046-P3048 VanDerWaalsContact O-N 3.12Å; S3046-W3081 VanDerWaalsContact O-CH2 3.23Å; S3046-W3081 WeakPolarHBondContact O-CH2 3.31Å; S3046-W3081 WeakPolarHBondContact O-CZ3 3.26Å | ||
| 3047 | R | 90.3 | Very high | 79.2 | Confident | 79.2 Ų | 79.2 | 75.7 Ų | 75.7 | 30% | 0.299 | 44% | 0.441 | S | S | . | . | P | Polyproline II helix | trans | -62 | 120.9 | 176.5 | -175.8 | -170.7 | -62.1 | 176.3 | 4.8 | 109.4 | T3045 A3051 Y3053 W3081 V3083 E3102 D3104 | T3045-R3047 PolarHBondContact O-N 3.29Å; R3047-A3051 HydrophobicContact CG-CB 3.76Å; R3047-Y3053 PolarHBondContact NH1-OH 3.3Å; R3047-W3081 HydrophobicContact CB-CZ2 4.17Å; R3047-V3083 HydrophobicContact CG-CG2 4.39Å; R3047-E3102 IonicContact CZ-OE1 3.29Å; R3047-E3102 IonicContact CZ-OE2 3.09Å; R3047-E3102 IonicContact NE-OE1 3.18Å; R3047-E3102 PolarHBondContact NE-OE1 3.06Å; R3047-E3102 IonicContact NE-OE2 2.78Å; R3047-E3102 PolarHBondContact NE-OE2 2.85Å; R3047-E3102 VanDerWaalsContact NH2-CD 3.26Å; R3047-E3102 IonicContact NH2-OE1 3.39Å; R3047-E3102 PolarHBondContact NH2-OE1 3Å; R3047-E3102 IonicContact NH2-OE2 3.58Å; R3047-E3102 PolarHBondContact NH2-OE2 3.24Å; R3047-D3104 IonicContact CZ-OD1 2.96Å; R3047-D3104 IonicContact NH1-OD1 3.22Å; R3047-D3104 PolarHBondContact NH1-OD1 2.89Å; R3047-D3104 IonicContact NH1-OD2 2.67Å; R3047-D3104 PolarHBondContact NH1-OD2 2.97Å; R3047-D3104 VanDerWaalsContact NH2-CG 3.33Å; R3047-D3104 IonicContact NH2-OD1 3.71Å; R3047-D3104 PolarHBondContact NH2-OD1 3.14Å; R3047-D3104 IonicContact NH2-OD2 3.34Å |
| 3048 | P | 91.2 | Very high | 80.8 | Confident | 46.2 Ų | 46.2 | 77.5 Ų | 77.5 | 30% | 0.3 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 161.3 | 180 | 34.6 | -37.4 | 0 | 0 | 0 | 111.2 | S3046 D3050 A3051 W3081 | S3046-P3048 WeakPolarHBondContact O-CD 3.37Å; S3046-P3048 VanDerWaalsContact O-N 3.12Å; P3048-D3050 VanDerWaalsContact C-N 3.27Å; P3048-D3050 VanDerWaalsContact CB-OD1 3.31Å; P3048-D3050 WeakPolarHBondContact CB-OD1 3.3Å; P3048-D3050 PolarHBondContact O-N 2.91Å; P3048-A3051 HydrophobicContact CG-CB 4.46Å; P3048-A3051 VanDerWaalsContact O-CB 3.26Å; P3048-A3051 WeakPolarHBondContact O-CB 3.38Å; P3048-A3051 PolarHBondContact O-N 3.18Å; P3048-A3051 VanDerWaalsContact O-N 3.15Å; P3048-W3081 HydrophobicContact CG-CB 3.88Å; P3048-W3081 HydrophobicContact CG-CD2 4.1Å; P3048-W3081 HydrophobicContact CG-CE3 4.01Å; P3048-W3081 HydrophobicContact CG-CG 4.08Å |
| 3049 | V | 88.6 | Confident | 82.6 | Confident | 155.6 Ų | 155.6 | 74.9 Ų | 74.9 | 94% | 0.943 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -29.3 | -175.8 | -179 | 0 | 0 | 0 | 0 | 112.3 | A3051 | V3049-A3051 VanDerWaalsContact C-N 3.28Å; V3049-A3051 PolarHBondContact O-N 3.07Å |
| 3050 | D | 90.6 | Very high | 84.3 | Confident | 127.6 Ų | 127.6 | 71.5 Ų | 71.5 | 68% | 0.682 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 14.9 | 178.6 | 64.1 | -25 | 0 | 0 | 0 | 113.6 | P3048 L3052 | P3048-D3050 VanDerWaalsContact C-N 3.27Å; P3048-D3050 VanDerWaalsContact CB-OD1 3.31Å; P3048-D3050 WeakPolarHBondContact CB-OD1 3.3Å; P3048-D3050 PolarHBondContact O-N 2.91Å; D3050-L3052 PolarHBondContact O-N 3.16Å |
| 3051 | A | 93 | Very high | 85.6 | Confident | 9 Ų | 9 | 70.8 Ų | 70.8 | 7% | 0.074 | 40% | 0.401 | C | S | . | . | trans | -56.9 | 137.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R3047 P3048 V3049 Y3053 W3081 V3083 | R3047-A3051 HydrophobicContact CG-CB 3.76Å; P3048-A3051 HydrophobicContact CG-CB 4.46Å; P3048-A3051 VanDerWaalsContact O-CB 3.26Å; P3048-A3051 WeakPolarHBondContact O-CB 3.38Å; P3048-A3051 PolarHBondContact O-N 3.18Å; P3048-A3051 VanDerWaalsContact O-N 3.15Å; V3049-A3051 VanDerWaalsContact C-N 3.28Å; V3049-A3051 PolarHBondContact O-N 3.07Å; A3051-Y3053 HydrophobicContact CB-CE2 4.45Å; A3051-Y3053 VanDerWaalsContact O-CD2 3.3Å; A3051-Y3053 WeakPolarHBondContact O-CD2 3.38Å; A3051-Y3053 VanDerWaalsContact O-CE2 3.25Å; A3051-Y3053 WeakPolarHBondContact O-CE2 3.26Å; A3051-W3081 WeakPolarHBondContact CA-O 3.38Å; A3051-W3081 HydrophobicContact CB-CB 4.2Å; A3051-W3081 HydrophobicContact CB-CG 4.23Å; A3051-V3083 HydrophobicContact CB-CG2 4.14Å | ||
| 3052 | L | 95.1 | Very high | 86.8 | Confident | 54.4 Ų | 54.4 | 71.1 Ų | 71.1 | 29% | 0.285 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 146.9 | 176.5 | -57.2 | -179 | 0 | 0 | 0 | 110 | D3050 T3059 L3064 T3080 W3081 L3082 V3083 | D3050-L3052 PolarHBondContact O-N 3.16Å; L3052-T3059 HydrophobicContact CB-CG2 3.81Å; L3052-T3059 HydrophobicContact CD1-CG2 4.49Å; L3052-L3064 HydrophobicContact CB-CD1 4.46Å; L3052-L3064 HydrophobicContact CD1-CD1 3.59Å; L3052-L3064 HydrophobicContact CD1-CG 4.28Å; L3052-T3080 HydrophobicContact CD1-CG2 3.78Å; L3052-W3081 PolarHBondContact N-O 3.16Å; L3052-L3082 HydrophobicContact CB-CD1 4.29Å; L3052-L3082 CarbonylContact O-C 3.51Å; L3052-L3082 WeakPolarHBondContact O-CA 3.39Å; L3052-V3083 PolarHBondContact O-N 2.99Å |
| 3053 | Y | 94.8 | Very high | 87.8 | Confident | 58 Ų | 58 | 70.7 Ų | 70.7 | 23% | 0.227 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 128.5 | -173.4 | -70.6 | -98.9 | 0 | 0 | 0 | 110.1 | R3047 A3051 S3055 K3056 T3059 V3083 D3085 | R3047-Y3053 PolarHBondContact NH1-OH 3.3Å; A3051-Y3053 HydrophobicContact CB-CE2 4.45Å; A3051-Y3053 VanDerWaalsContact O-CD2 3.3Å; A3051-Y3053 WeakPolarHBondContact O-CD2 3.38Å; A3051-Y3053 VanDerWaalsContact O-CE2 3.25Å; A3051-Y3053 WeakPolarHBondContact O-CE2 3.26Å; Y3053-S3055 PolarHBondContact O-N 2.95Å; Y3053-S3055 VanDerWaalsContact O-N 3.14Å; Y3053-K3056 HydrophobicContact CD2-CD 4.33Å; Y3053-K3056 HydrophobicContact CG-CD 4.45Å; Y3053-K3056 PolarHBondContact O-N 3.01Å; Y3053-K3056 VanDerWaalsContact O-N 3.08Å; Y3053-T3059 PolarHBondContact N-OG1 3.13Å; Y3053-T3059 VanDerWaalsContact N-OG1 3.17Å; Y3053-T3059 VanDerWaalsContact O-CB 3.25Å; Y3053-T3059 WeakPolarHBondContact O-CB 3.31Å; Y3053-T3059 PolarHBondContact O-OG1 2.94Å; Y3053-V3083 HydrophobicContact CD1-CB 4.06Å; Y3053-V3083 HydrophobicContact CD1-CG1 4.26Å; Y3053-V3083 HydrophobicContact CE1-CB 4.28Å; Y3053-V3083 HydrophobicContact CE1-CG1 4.29Å; Y3053-V3083 HydrophobicContact CE1-CG2 4.36Å; Y3053-D3085 HydrophobicContact CD1-CB 4.08Å |
| 3054 | W | 94.2 | Very high | 88.8 | Confident | 8 Ų | 8 | 69.1 Ų | 69.1 | 3% | 0.03 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -35.9 | -176.4 | -171.1 | -71.3 | 0 | 0 | 0 | 113 | K3056 W3060 P3068 L3074 L3082 V3083 L3084 D3085 T3086 I3088 I3090 | W3054-K3056 VanDerWaalsContact C-N 3.29Å; W3054-K3056 PolarHBondContact O-N 3.17Å; W3054-W3060 HydrophobicContact CB-CZ2 4.17Å; W3054-W3060 AromaticContact CD1-CZ2 3.97Å; W3054-W3060 AromaticContact CD2-CH2 3.73Å; W3054-W3060 HydrophobicContact CD2-CH2 3.73Å; W3054-W3060 AromaticContact CD2-CZ2 3.35Å; W3054-W3060 HydrophobicContact CD2-CZ2 3.35Å; W3054-W3060 VanDerWaalsContact CD2-CZ2 3.45Å; W3054-W3060 AromaticContact CE2-CH2 3.98Å; W3054-W3060 AromaticContact CE2-CZ2 3.64Å; W3054-W3060 AromaticContact CE3-CH2 3.51Å; W3054-W3060 HydrophobicContact CE3-CH2 3.51Å; W3054-W3060 VanDerWaalsContact CE3-CH2 3.47Å; W3054-W3060 AromaticContact CE3-CZ2 3.64Å; W3054-W3060 HydrophobicContact CE3-CZ2 3.64Å; W3054-W3060 HydrophobicContact CG-CH2 4.42Å; W3054-W3060 AromaticContact CG-CZ2 3.61Å; W3054-W3060 HydrophobicContact CG-CZ2 3.61Å; W3054-W3060 AromaticContact CH2-CH2 3.91Å; W3054-W3060 HydrophobicContact CH2-CH2 3.96Å; W3054-W3060 HydrophobicContact CH2-CZ2 4.41Å; W3054-W3060 HydrophobicContact CZ2-CH2 4.14Å; W3054-W3060 HydrophobicContact CZ2-CZ2 4.17Å; W3054-W3060 AromaticContact CZ3-CH2 3.64Å; W3054-W3060 HydrophobicContact CZ3-CH2 3.64Å; W3054-W3060 HydrophobicContact CZ3-CZ2 4.16Å; W3054-W3060 AromaticContact NE1-CZ2 3.96Å; W3054-W3060 PolarHBondContact O-NE1 3.09Å; W3054-P3068 HydrophobicContact CH2-CB 4.16Å; W3054-P3068 HydrophobicContact CH2-CG 3.81Å; W3054-P3068 HydrophobicContact CZ2-CB 4.43Å; W3054-P3068 HydrophobicContact CZ2-CG 4.33Å; W3054-P3068 HydrophobicContact CZ3-CG 4.44Å; W3054-L3074 HydrophobicContact CH2-CD2 4.35Å; W3054-L3074 HydrophobicContact CZ3-CD1 4.36Å; W3054-L3074 HydrophobicContact CZ3-CD2 3.89Å; W3054-L3082 HydrophobicContact CE3-CD2 4.12Å; W3054-L3082 HydrophobicContact CZ3-CD2 4.27Å; W3054-V3083 WeakPolarHBondContact CB-O 3.32Å; W3054-V3083 PolarHBondContact N-O 3.06Å; W3054-L3084 HydrophobicContact CB-CD1 3.86Å; W3054-L3084 HydrophobicContact CD2-CD1 3.27Å; W3054-L3084 HydrophobicContact CE3-CB 4.49Å; W3054-L3084 HydrophobicContact CE3-CD1 3.53Å; W3054-L3084 VanDerWaalsContact CE3-CD1 3.44Å; W3054-L3084 HydrophobicContact CG-CD1 3.42Å; W3054-L3084 VanDerWaalsContact CG-CD1 3.43Å; W3054-L3084 HydrophobicContact CZ2-CD1 4.44Å; W3054-L3084 HydrophobicContact CZ3-CD1 4.25Å; W3054-D3085 PolarHBondContact N-OD1 2.94Å; W3054-D3085 VanDerWaalsContact N-OD1 3.08Å; W3054-T3086 HydrophobicContact CG-CG2 4.39Å; W3054-I3088 HydrophobicContact CH2-CD1 4.41Å; W3054-I3088 HydrophobicContact CZ2-CD1 3.5Å; W3054-I3088 VanDerWaalsContact CZ2-CD1 3.45Å; W3054-I3090 HydrophobicContact CZ2-CD1 4.49Å |
| 3055 | S | 93.1 | Very high | 89.6 | Confident | 61.2 Ų | 61.2 | 65.6 Ų | 65.6 | 43% | 0.428 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -20.5 | -180 | 70 | 0 | 0 | 0 | 0 | 114.3 | Y3053 D3085 | Y3053-S3055 PolarHBondContact O-N 2.95Å; Y3053-S3055 VanDerWaalsContact O-N 3.14Å; S3055-D3085 WeakPolarHBondContact CB-OD1 3.33Å; S3055-D3085 WeakPolarHBondContact CB-OD2 3.28Å; S3055-D3085 PolarHBondContact N-OD1 3.01Å; S3055-D3085 VanDerWaalsContact OG-CG 3.31Å; S3055-D3085 PolarHBondContact OG-OD1 2.82Å; S3055-D3085 PolarHBondContact OG-OD2 2.86Å |
| 3056 | K | 92.9 | Very high | 90.3 | Very high | 100.2 Ų | 100.2 | 69.9 Ų | 69.9 | 44% | 0.436 | 42% | 0.419 | S | S | . | . | trans | -88.5 | 125 | -174.7 | -62.1 | -177.7 | -178 | 170.4 | 0 | 111.2 | Y3053 W3054 N3058 T3059 | Y3053-K3056 HydrophobicContact CD2-CD 4.33Å; Y3053-K3056 HydrophobicContact CG-CD 4.45Å; Y3053-K3056 PolarHBondContact O-N 3.01Å; Y3053-K3056 VanDerWaalsContact O-N 3.08Å; W3054-K3056 VanDerWaalsContact C-N 3.29Å; W3054-K3056 PolarHBondContact O-N 3.17Å; K3056-N3058 VanDerWaalsContact CB-OD1 3.27Å; K3056-N3058 WeakPolarHBondContact CB-OD1 3.38Å; K3056-N3058 PolarHBondContact O-N 2.97Å; K3056-N3058 VanDerWaalsContact O-N 3.15Å; K3056-T3059 VanDerWaalsContact O-CB 3.25Å; K3056-T3059 WeakPolarHBondContact O-CB 3.25Å; K3056-T3059 PolarHBondContact O-N 2.98Å; K3056-T3059 PolarHBondContact O-OG1 3.1Å | ||
| 3057 | N | 87.4 | Confident | 90.7 | Very high | 140.8 Ų | 140.8 | 70.8 Ų | 70.8 | 75% | 0.753 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -58.3 | -31 | 178.4 | -74.4 | -8 | 0 | 0 | 0 | 113.8 | T3059 W3060 | N3057-T3059 VanDerWaalsContact C-N 3.27Å; N3057-T3059 PolarHBondContact O-N 2.9Å; N3057-W3060 PolarHBondContact O-N 3.07Å |
| 3058 | N | 90.1 | Very high | 90.8 | Very high | 137.6 Ų | 137.6 | 67.6 Ų | 67.6 | 74% | 0.736 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -77.1 | -8.3 | 178.7 | 70.1 | -21 | 0 | 0 | 0 | 114.1 | K3056 W3060 | K3056-N3058 VanDerWaalsContact CB-OD1 3.27Å; K3056-N3058 WeakPolarHBondContact CB-OD1 3.38Å; K3056-N3058 PolarHBondContact O-N 2.97Å; K3056-N3058 VanDerWaalsContact O-N 3.15Å; N3058-W3060 VanDerWaalsContact C-N 3.29Å |
| 3059 | T | 91.9 | Very high | 90.9 | Very high | 5.2 Ų | 5.2 | 70 Ų | 70 | 3% | 0.032 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -68.8 | -32.5 | 169.4 | -66.8 | 0 | 0 | 0 | 0 | 111.1 | L3052 Y3053 K3056 N3057 L3064 L3082 | L3052-T3059 HydrophobicContact CB-CG2 3.81Å; L3052-T3059 HydrophobicContact CD1-CG2 4.49Å; Y3053-T3059 PolarHBondContact N-OG1 3.13Å; Y3053-T3059 VanDerWaalsContact N-OG1 3.17Å; Y3053-T3059 VanDerWaalsContact O-CB 3.25Å; Y3053-T3059 WeakPolarHBondContact O-CB 3.31Å; Y3053-T3059 PolarHBondContact O-OG1 2.94Å; K3056-T3059 VanDerWaalsContact O-CB 3.25Å; K3056-T3059 WeakPolarHBondContact O-CB 3.25Å; K3056-T3059 PolarHBondContact O-N 2.98Å; K3056-T3059 PolarHBondContact O-OG1 3.1Å; N3057-T3059 VanDerWaalsContact C-N 3.27Å; N3057-T3059 PolarHBondContact O-N 2.9Å; T3059-L3064 HydrophobicContact CG2-CD1 3.58Å; T3059-L3064 VanDerWaalsContact CG2-CD1 3.46Å; T3059-L3082 HydrophobicContact CG2-CD1 3.76Å |
| 3060 | W | 91.9 | Very high | 91.2 | Very high | 29.4 Ų | 29.4 | 67.8 Ų | 67.8 | 11% | 0.111 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -95.8 | 139.4 | -174.6 | -53 | 109.1 | 0 | 0 | 0 | 111.1 | W3054 N3057 N3058 L3064 Q3067 P3068 L3074 L3082 | W3054-W3060 HydrophobicContact CB-CZ2 4.17Å; W3054-W3060 AromaticContact CD1-CZ2 3.97Å; W3054-W3060 AromaticContact CD2-CH2 3.73Å; W3054-W3060 HydrophobicContact CD2-CH2 3.73Å; W3054-W3060 AromaticContact CD2-CZ2 3.35Å; W3054-W3060 HydrophobicContact CD2-CZ2 3.35Å; W3054-W3060 VanDerWaalsContact CD2-CZ2 3.45Å; W3054-W3060 AromaticContact CE2-CH2 3.98Å; W3054-W3060 AromaticContact CE2-CZ2 3.64Å; W3054-W3060 AromaticContact CE3-CH2 3.51Å; W3054-W3060 HydrophobicContact CE3-CH2 3.51Å; W3054-W3060 VanDerWaalsContact CE3-CH2 3.47Å; W3054-W3060 AromaticContact CE3-CZ2 3.64Å; W3054-W3060 HydrophobicContact CE3-CZ2 3.64Å; W3054-W3060 HydrophobicContact CG-CH2 4.42Å; W3054-W3060 AromaticContact CG-CZ2 3.61Å; W3054-W3060 HydrophobicContact CG-CZ2 3.61Å; W3054-W3060 AromaticContact CH2-CH2 3.91Å; W3054-W3060 HydrophobicContact CH2-CH2 3.96Å; W3054-W3060 HydrophobicContact CH2-CZ2 4.41Å; W3054-W3060 HydrophobicContact CZ2-CH2 4.14Å; W3054-W3060 HydrophobicContact CZ2-CZ2 4.17Å; W3054-W3060 AromaticContact CZ3-CH2 3.64Å; W3054-W3060 HydrophobicContact CZ3-CH2 3.64Å; W3054-W3060 HydrophobicContact CZ3-CZ2 4.16Å; W3054-W3060 AromaticContact NE1-CZ2 3.96Å; W3054-W3060 PolarHBondContact O-NE1 3.09Å; N3057-W3060 PolarHBondContact O-N 3.07Å; N3058-W3060 VanDerWaalsContact C-N 3.29Å; W3060-L3064 HydrophobicContact CE3-CB 4.38Å; W3060-L3064 HydrophobicContact CZ3-CB 4.36Å; W3060-L3064 HydrophobicContact CZ3-CD1 4.4Å; W3060-Q3067 HydrophobicContact CB-CB 4.12Å; W3060-Q3067 HydrophobicContact CD2-CB 3.64Å; W3060-Q3067 HydrophobicContact CD2-CG 3.78Å; W3060-Q3067 HydrophobicContact CE3-CB 4.1Å; W3060-Q3067 HydrophobicContact CE3-CG 4.36Å; W3060-Q3067 HydrophobicContact CG-CB 3.62Å; W3060-Q3067 HydrophobicContact CG-CG 4.05Å; W3060-Q3067 HydrophobicContact CH2-CG 4.47Å; W3060-Q3067 HydrophobicContact CZ2-CG 3.97Å; W3060-P3068 VanDerWaalsContact CH2-CD 3.45Å; W3060-P3068 HydrophobicContact CH2-CG 4.31Å; W3060-P3068 HydrophobicContact CZ3-CG 4.17Å; W3060-L3074 HydrophobicContact CZ3-CD1 4.49Å; W3060-L3082 HydrophobicContact CH2-CD1 4.47Å; W3060-L3082 HydrophobicContact CH2-CD2 4.14Å |
| 3061 | G | 85 | Confident | 91.3 | Very high | 46.6 Ų | 46.6 | 63.8 Ų | 63.8 | 48% | 0.48 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 101.2 | 155 | -167.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V3063 G3065 | G3061-V3063 PolarHBondContact O-N 2.94Å; G3061-G3065 PolarHBondContact N-O 3.13Å |
| 3062 | G | 85 | Confident | 91.4 | Very high | 73 Ų | 73 | 64.8 Ų | 64.8 | 75% | 0.753 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | 69.9 | -127.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L3064 G3065 | G3062-L3064 VanDerWaalsContact C-N 3.33Å; G3062-L3064 PolarHBondContact O-N 2.99Å; G3062-L3064 VanDerWaalsContact O-N 3.13Å; G3062-G3065 PolarHBondContact O-N 3.01Å; G3062-G3065 VanDerWaalsContact O-N 3.13Å |
| 3063 | V | 84.9 | Confident | 91.4 | Very high | 108.6 Ų | 108.6 | 65.1 Ų | 65.1 | 66% | 0.658 | 40% | 0.403 | S | S | * | . | G | 310 helix | trans | -62.9 | -31.3 | -173.9 | -106.5 | 0 | 0 | 0 | 0 | 113.6 | G3061 P3077 | G3061-V3063 PolarHBondContact O-N 2.94Å; V3063-P3077 HydrophobicContact CB-CG 4.47Å; V3063-P3077 HydrophobicContact CG1-CB 3.89Å; V3063-P3077 HydrophobicContact CG1-CG 3.66Å; V3063-P3077 VanDerWaalsContact O-CG 3.26Å; V3063-P3077 WeakPolarHBondContact O-CG 3.31Å |
| 3064 | L | 89.9 | Confident | 91.5 | Very high | 17.6 Ų | 17.6 | 62.5 Ų | 62.5 | 9% | 0.092 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -87.1 | -13.2 | 177.9 | -74.6 | 173.1 | 0 | 0 | 0 | 113.7 | L3052 T3059 W3060 G3062 T3080 L3082 | L3052-L3064 HydrophobicContact CB-CD1 4.46Å; L3052-L3064 HydrophobicContact CD1-CD1 3.59Å; L3052-L3064 HydrophobicContact CD1-CG 4.28Å; T3059-L3064 HydrophobicContact CG2-CD1 3.58Å; T3059-L3064 VanDerWaalsContact CG2-CD1 3.46Å; W3060-L3064 HydrophobicContact CE3-CB 4.38Å; W3060-L3064 HydrophobicContact CZ3-CB 4.36Å; W3060-L3064 HydrophobicContact CZ3-CD1 4.4Å; G3062-L3064 VanDerWaalsContact C-N 3.33Å; G3062-L3064 PolarHBondContact O-N 2.99Å; G3062-L3064 VanDerWaalsContact O-N 3.13Å; L3064-T3080 HydrophobicContact CD1-CG2 4.44Å; L3064-T3080 HydrophobicContact CD2-CG2 4.1Å; L3064-T3080 HydrophobicContact CG-CG2 4.34Å; L3064-L3082 HydrophobicContact CD1-CD1 4.01Å; L3064-L3082 HydrophobicContact CD1-CD2 4.38Å; L3064-L3082 HydrophobicContact CD2-CD2 4.32Å |
| 3065 | G | 90.6 | Very high | 91.5 | Very high | 22.6 Ų | 22.6 | 66.4 Ų | 66.4 | 23% | 0.233 | 41% | 0.414 | C | S | . | . | trans | 69 | -164.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G3061 G3062 | G3061-G3065 PolarHBondContact N-O 3.13Å; G3062-G3065 PolarHBondContact O-N 3.01Å; G3062-G3065 VanDerWaalsContact O-N 3.13Å | ||
| 3066 | P | 91.5 | Very high | 91.7 | Very high | 116.8 Ų | 116.8 | 63.5 Ų | 63.5 | 76% | 0.758 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -66.2 | 151.4 | -179.2 | 29 | -34.6 | 0 | 0 | 0 | 111.7 | ||
| 3067 | Q | 92.1 | Very high | 91.8 | Very high | 88.4 Ų | 88.4 | 60.2 Ų | 60.2 | 41% | 0.413 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 129.2 | 175.3 | -172.2 | 168.8 | 16.9 | 0 | 0 | 110.9 | W3060 V3069 | W3060-Q3067 HydrophobicContact CB-CB 4.12Å; W3060-Q3067 HydrophobicContact CD2-CB 3.64Å; W3060-Q3067 HydrophobicContact CD2-CG 3.78Å; W3060-Q3067 HydrophobicContact CE3-CB 4.1Å; W3060-Q3067 HydrophobicContact CE3-CG 4.36Å; W3060-Q3067 HydrophobicContact CG-CB 3.62Å; W3060-Q3067 HydrophobicContact CG-CG 4.05Å; W3060-Q3067 HydrophobicContact CH2-CG 4.47Å; W3060-Q3067 HydrophobicContact CZ2-CG 3.97Å; Q3067-V3069 PolarHBondContact O-N 3.14Å |
| 3068 | P | 93.2 | Very high | 92 | Very high | 12 Ų | 12 | 61.9 Ų | 61.9 | 8% | 0.078 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -60 | 140.3 | 179.7 | -25.8 | 33.6 | 0 | 0 | 0 | 113.1 | W3054 W3060 S3072 L3074 I3090 L3092 | W3054-P3068 HydrophobicContact CH2-CB 4.16Å; W3054-P3068 HydrophobicContact CH2-CG 3.81Å; W3054-P3068 HydrophobicContact CZ2-CB 4.43Å; W3054-P3068 HydrophobicContact CZ2-CG 4.33Å; W3054-P3068 HydrophobicContact CZ3-CG 4.44Å; W3060-P3068 VanDerWaalsContact CH2-CD 3.45Å; W3060-P3068 HydrophobicContact CH2-CG 4.31Å; W3060-P3068 HydrophobicContact CZ3-CG 4.17Å; P3068-S3072 VanDerWaalsContact CA-OG 3.25Å; P3068-S3072 WeakPolarHBondContact CA-OG 3.36Å; P3068-S3072 WeakPolarHBondContact CB-OG 3.36Å; P3068-L3074 HydrophobicContact CG-CB 4.19Å; P3068-L3074 HydrophobicContact CG-CD1 3.89Å; P3068-I3090 HydrophobicContact CB-CD1 4.02Å; P3068-I3090 VanDerWaalsContact O-CD1 3.32Å; P3068-I3090 WeakPolarHBondContact O-CD1 3.43Å; P3068-L3092 HydrophobicContact CB-CD2 3.79Å |
| 3069 | V | 93.5 | Very high | 92 | Very high | 97.6 Ų | 97.6 | 59 Ų | 59 | 59% | 0.592 | 39% | 0.386 | S | S | * | . | trans | -123.4 | 171 | 172.6 | -63.7 | 0 | 0 | 0 | 0 | 110 | Q3067 G3071 S3072 | Q3067-V3069 PolarHBondContact O-N 3.14Å; V3069-G3071 PolarHBondContact O-N 2.94Å; V3069-S3072 PolarHBondContact N-OG 3.05Å; V3069-S3072 VanDerWaalsContact O-CB 3.3Å; V3069-S3072 WeakPolarHBondContact O-CB 3.38Å; V3069-S3072 PolarHBondContact O-N 3.04Å; V3069-S3072 PolarHBondContact O-OG 2.98Å | ||
| 3070 | N | 95.4 | Very high | 92.1 | Very high | 108.8 Ų | 108.8 | 59.7 Ų | 59.7 | 58% | 0.582 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 128.6 | 175.5 | -73.5 | -24.5 | 0 | 0 | 0 | 111.3 | S3072 I3090 K3091 | N3070-S3072 VanDerWaalsContact C-N 3.32Å; N3070-I3090 WeakPolarHBondContact OD1-CA 3.38Å; N3070-K3091 CarbonylContact C-O 3.47Å; N3070-K3091 VanDerWaalsContact CA-O 3.27Å; N3070-K3091 WeakPolarHBondContact CA-O 3.31Å; N3070-K3091 PolarHBondContact OD1-N 2.97Å |
| 3071 | G | 92.7 | Very high | 92.3 | Very high | 43 Ų | 43 | 59.4 Ų | 59.4 | 44% | 0.443 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -5.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V3069 K3091 N3093 | V3069-G3071 PolarHBondContact O-N 2.94Å; G3071-K3091 PolarHBondContact N-O 3.16Å; G3071-N3093 PolarHBondContact O-ND2 2.91Å |
| 3072 | S | 94.9 | Very high | 92.8 | Very high | 32 Ų | 32 | 57.1 Ų | 57.1 | 22% | 0.224 | 37% | 0.366 | C | S | . | . | trans | -83.8 | 175 | 173.2 | 77.3 | 0 | 0 | 0 | 0 | 112 | P3068 V3069 N3070 L3092 N3093 | P3068-S3072 VanDerWaalsContact CA-OG 3.25Å; P3068-S3072 WeakPolarHBondContact CA-OG 3.36Å; P3068-S3072 WeakPolarHBondContact CB-OG 3.36Å; V3069-S3072 PolarHBondContact N-OG 3.05Å; V3069-S3072 VanDerWaalsContact O-CB 3.3Å; V3069-S3072 WeakPolarHBondContact O-CB 3.38Å; V3069-S3072 PolarHBondContact O-N 3.04Å; V3069-S3072 PolarHBondContact O-OG 2.98Å; N3070-S3072 VanDerWaalsContact C-N 3.32Å; S3072-L3092 CarbonylContact O-C 3.54Å; S3072-L3092 VanDerWaalsContact O-CA 3.3Å; S3072-L3092 WeakPolarHBondContact O-CA 3.42Å; S3072-L3092 WeakPolarHBondContact O-CB 3.33Å; S3072-L3092 WeakPolarHBondContact O-CD2 3.34Å; S3072-N3093 PolarHBondContact O-N 3.03Å | ||
| 3073 | S | 94.5 | Very high | 93.4 | Very high | 59 Ų | 59 | 53.7 Ų | 53.7 | 41% | 0.413 | 33% | 0.33 | S | S | . | . | trans | -112.3 | 152.6 | 171.3 | -63.1 | 0 | 0 | 0 | 0 | 110.2 | N3094 | S3073-N3094 CarbonylContact C-O 3.53Å; S3073-N3094 WeakPolarHBondContact CA-O 3.35Å; S3073-N3094 VanDerWaalsContact CB-O 3.31Å; S3073-N3094 WeakPolarHBondContact CB-O 3.34Å; S3073-N3094 PolarHBondContact OG-N 3.23Å | ||
| 3074 | L | 96.2 | Very high | 93.9 | Very high | 4.2 Ų | 4.2 | 48.6 Ų | 48.6 | 2% | 0.022 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 129.4 | 174.2 | 170.9 | 63.6 | 0 | 0 | 0 | 109.2 | W3054 W3060 P3068 V3076 L3082 L3092 N3094 I3095 T3096 L3101 | W3054-L3074 HydrophobicContact CH2-CD2 4.35Å; W3054-L3074 HydrophobicContact CZ3-CD1 4.36Å; W3054-L3074 HydrophobicContact CZ3-CD2 3.89Å; W3060-L3074 HydrophobicContact CZ3-CD1 4.49Å; P3068-L3074 HydrophobicContact CG-CB 4.19Å; P3068-L3074 HydrophobicContact CG-CD1 3.89Å; L3074-V3076 HydrophobicContact CD1-CG2 4.34Å; L3074-V3076 HydrophobicContact CD2-CG2 4.46Å; L3074-V3076 HydrophobicContact CG-CG2 4.3Å; L3074-L3082 HydrophobicContact CD1-CD2 4.13Å; L3074-L3092 HydrophobicContact CB-CD1 3.98Å; L3074-N3094 PolarHBondContact N-O 3.14Å; L3074-I3095 HydrophobicContact CB-CG1 4.48Å; L3074-I3095 HydrophobicContact CD2-CG2 4.19Å; L3074-I3095 CarbonylContact O-C 3.55Å; L3074-I3095 WeakPolarHBondContact O-CA 3.24Å; L3074-T3096 PolarHBondContact O-N 3.01Å; L3074-L3101 HydrophobicContact CD2-CD2 4.01Å |
| 3075 | I | 95.6 | Very high | 94.1 | Very high | 90.8 Ų | 90.8 | 48.7 Ų | 48.7 | 47% | 0.466 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 125.1 | 171 | -57.8 | 176.7 | 0 | 0 | 0 | 107.7 | P3077 T3096 Y3098 | I3075-P3077 WeakPolarHBondContact O-CD 3.33Å; I3075-T3096 CarbonylContact C-O 3.55Å; I3075-T3096 VanDerWaalsContact CA-O 3.29Å; I3075-T3096 WeakPolarHBondContact CA-O 3.42Å; I3075-Y3098 HydrophobicContact CG2-CD2 4.11Å; I3075-Y3098 HydrophobicContact CG2-CE2 4.09Å |
| 3076 | V | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 103.6 | 171.7 | -176.3 | 0 | 0 | 0 | 0 | 108 | L3074 T3080 L3082 T3096 I3097 Y3098 G3099 L3101 | L3074-V3076 HydrophobicContact CD1-CG2 4.34Å; L3074-V3076 HydrophobicContact CD2-CG2 4.46Å; L3074-V3076 HydrophobicContact CG-CG2 4.3Å; V3076-T3080 HydrophobicContact CG1-CG2 4.34Å; V3076-L3082 HydrophobicContact CG1-CB 4.29Å; V3076-L3082 HydrophobicContact CG2-CB 4.4Å; V3076-L3082 HydrophobicContact CG2-CD2 4.06Å; V3076-T3096 PolarHBondContact N-O 2.91Å; V3076-I3097 HydrophobicContact CB-CG2 4.38Å; V3076-I3097 HydrophobicContact CG2-CG1 4.46Å; V3076-Y3098 WeakPolarHBondContact O-CA 3.34Å; V3076-Y3098 WeakPolarHBondContact O-CB 3.37Å; V3076-Y3098 PolarHBondContact O-N 3.11Å; V3076-G3099 PolarHBondContact O-N 2.97Å; V3076-G3099 VanDerWaalsContact O-N 3.08Å; V3076-L3101 HydrophobicContact CG2-CB 4.29Å |
| 3077 | P | 95.2 | Very high | 94.5 | Very high | 31.2 Ų | 31.2 | 47.1 Ų | 47.1 | 20% | 0.203 | 29% | 0.286 | C | S | . | . | trans | -65.5 | 159.7 | -174.8 | -23.1 | 34.8 | 0 | 0 | 0 | 113.8 | V3063 I3075 G3079 T3080 G3099 | V3063-P3077 HydrophobicContact CB-CG 4.47Å; V3063-P3077 HydrophobicContact CG1-CB 3.89Å; V3063-P3077 HydrophobicContact CG1-CG 3.66Å; V3063-P3077 VanDerWaalsContact O-CG 3.26Å; V3063-P3077 WeakPolarHBondContact O-CG 3.31Å; I3075-P3077 WeakPolarHBondContact O-CD 3.33Å; P3077-G3079 PolarHBondContact O-N 3.19Å; P3077-T3080 VanDerWaalsContact O-CB 3.26Å; P3077-T3080 WeakPolarHBondContact O-CB 3.39Å; P3077-T3080 PolarHBondContact O-N 3.05Å; P3077-T3080 PolarHBondContact O-OG1 3.05Å; P3077-G3099 VanDerWaalsContact O-CA 3.24Å; P3077-G3099 WeakPolarHBondContact O-CA 3.29Å; P3077-G3099 PolarHBondContact O-N 2.85Å | ||
| 3078 | K | 91.2 | Very high | 94.6 | Very high | 176.2 Ų | 176.2 | 44.3 Ų | 44.3 | 77% | 0.766 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 135.6 | 176.1 | -172.1 | 174.2 | -177.7 | 173.7 | 0 | 110.2 | T3080 | K3078-T3080 PolarHBondContact O-N 3.08Š|
| 3079 | G | 89.8 | Confident | 94.8 | Very high | 76.2 Ų | 76.2 | 49.2 Ų | 49.2 | 79% | 0.786 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -1.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P3077 | P3077-G3079 PolarHBondContact O-N 3.19Š|
| 3080 | T | 94.2 | Very high | 95 | Very high | 19 Ų | 19 | 44.9 Ų | 44.9 | 12% | 0.117 | 27% | 0.273 | C | S | . | . | trans | -95 | 130.3 | 175.6 | -55.4 | 0 | 0 | 0 | 0 | 110.6 | L3052 L3064 V3076 P3077 K3078 G3099 T3100 | L3052-T3080 HydrophobicContact CD1-CG2 3.78Å; L3064-T3080 HydrophobicContact CD1-CG2 4.44Å; L3064-T3080 HydrophobicContact CD2-CG2 4.1Å; L3064-T3080 HydrophobicContact CG-CG2 4.34Å; V3076-T3080 HydrophobicContact CG1-CG2 4.34Å; P3077-T3080 VanDerWaalsContact O-CB 3.26Å; P3077-T3080 WeakPolarHBondContact O-CB 3.39Å; P3077-T3080 PolarHBondContact O-N 3.05Å; P3077-T3080 PolarHBondContact O-OG1 3.05Å; K3078-T3080 PolarHBondContact O-N 3.08Å; T3080-G3099 CarbonylContact O-C 3.45Å; T3080-G3099 VanDerWaalsContact O-CA 3.31Å; T3080-G3099 WeakPolarHBondContact O-CA 3.33Å; T3080-T3100 PolarHBondContact O-N 3.11Å | ||
| 3081 | W | 95.6 | Very high | 95.1 | Very high | 22.8 Ų | 22.8 | 45.5 Ų | 45.5 | 9% | 0.086 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 108.2 | 170.3 | -163.6 | -64.7 | 0 | 0 | 0 | 109.5 | D3044 S3046 R3047 P3048 A3051 L3052 T3100 E3102 L3129 | D3044-W3081 HydrophobicContact CB-CZ3 4.21Å; D3044-W3081 WeakPolarHBondContact O-CH2 3.35Å; S3046-W3081 VanDerWaalsContact O-CH2 3.23Å; S3046-W3081 WeakPolarHBondContact O-CH2 3.31Å; S3046-W3081 WeakPolarHBondContact O-CZ3 3.26Å; R3047-W3081 HydrophobicContact CB-CZ2 4.17Å; P3048-W3081 HydrophobicContact CG-CB 3.88Å; P3048-W3081 HydrophobicContact CG-CD2 4.1Å; P3048-W3081 HydrophobicContact CG-CE3 4.01Å; P3048-W3081 HydrophobicContact CG-CG 4.08Å; A3051-W3081 WeakPolarHBondContact CA-O 3.38Å; A3051-W3081 HydrophobicContact CB-CB 4.2Å; A3051-W3081 HydrophobicContact CB-CG 4.23Å; L3052-W3081 PolarHBondContact N-O 3.16Å; W3081-T3100 CarbonylContact C-O 3.52Å; W3081-T3100 WeakPolarHBondContact CA-O 3.3Å; W3081-T3100 HydrophobicContact CD2-CG2 3.56Å; W3081-T3100 VanDerWaalsContact CE2-CG2 3.44Å; W3081-T3100 HydrophobicContact CE3-CG2 3.82Å; W3081-T3100 HydrophobicContact CG-CG2 4.17Å; W3081-T3100 HydrophobicContact CH2-CG2 3.92Å; W3081-T3100 HydrophobicContact CZ2-CG2 3.66Å; W3081-T3100 HydrophobicContact CZ3-CG2 4Å; W3081-E3102 PolarHBondContact NE1-OE2 3.03Å; W3081-L3129 HydrophobicContact CH2-CD1 3.79Å; W3081-L3129 HydrophobicContact CZ2-CD1 3.58Å |
| 3082 | L | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121.4 | -180 | 177.5 | 61.6 | 0 | 0 | 0 | 110.2 | L3052 W3054 T3059 W3060 L3064 L3074 V3076 T3100 L3101 E3102 | L3052-L3082 HydrophobicContact CB-CD1 4.29Å; L3052-L3082 CarbonylContact O-C 3.51Å; L3052-L3082 WeakPolarHBondContact O-CA 3.39Å; W3054-L3082 HydrophobicContact CE3-CD2 4.12Å; W3054-L3082 HydrophobicContact CZ3-CD2 4.27Å; T3059-L3082 HydrophobicContact CG2-CD1 3.76Å; W3060-L3082 HydrophobicContact CH2-CD1 4.47Å; W3060-L3082 HydrophobicContact CH2-CD2 4.14Å; L3064-L3082 HydrophobicContact CD1-CD1 4.01Å; L3064-L3082 HydrophobicContact CD1-CD2 4.38Å; L3064-L3082 HydrophobicContact CD2-CD2 4.32Å; L3074-L3082 HydrophobicContact CD1-CD2 4.13Å; V3076-L3082 HydrophobicContact CG1-CB 4.29Å; V3076-L3082 HydrophobicContact CG2-CB 4.4Å; V3076-L3082 HydrophobicContact CG2-CD2 4.06Å; L3082-T3100 PolarHBondContact N-O 2.95Å; L3082-L3101 HydrophobicContact CB-CD1 4.35Å; L3082-L3101 HydrophobicContact CD2-CD1 4.11Å; L3082-L3101 HydrophobicContact CG-CD1 4.12Å; L3082-L3101 WeakPolarHBondContact O-CA 3.29Å; L3082-E3102 PolarHBondContact O-N 3.03Å |
| 3083 | V | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 117.6 | 178.1 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | R3047 A3051 L3052 Y3053 W3054 D3085 E3102 D3104 | R3047-V3083 HydrophobicContact CG-CG2 4.39Å; A3051-V3083 HydrophobicContact CB-CG2 4.14Å; L3052-V3083 PolarHBondContact O-N 2.99Å; Y3053-V3083 HydrophobicContact CD1-CB 4.06Å; Y3053-V3083 HydrophobicContact CD1-CG1 4.26Å; Y3053-V3083 HydrophobicContact CE1-CB 4.28Å; Y3053-V3083 HydrophobicContact CE1-CG1 4.29Å; Y3053-V3083 HydrophobicContact CE1-CG2 4.36Å; W3054-V3083 WeakPolarHBondContact CB-O 3.32Å; W3054-V3083 PolarHBondContact N-O 3.06Å; V3083-D3085 HydrophobicContact CG1-CB 4.22Å; V3083-D3085 PolarHBondContact O-N 3Å; V3083-E3102 CarbonylContact C-O 3.53Å; V3083-E3102 WeakPolarHBondContact CA-O 3.3Å; V3083-E3102 HydrophobicContact CG2-CB 4.45Å; V3083-D3104 HydrophobicContact CG1-CB 3.76Å |
| 3084 | L | 96.1 | Very high | 95.3 | Very high | 2.2 Ų | 2.2 | 44.4 Ų | 44.4 | 1% | 0.012 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 96.8 | 168.5 | -177.1 | 67.2 | 0 | 0 | 0 | 109 | W3054 I3088 E3102 I3103 D3104 Y3114 L3116 | W3054-L3084 HydrophobicContact CB-CD1 3.86Å; W3054-L3084 HydrophobicContact CD2-CD1 3.27Å; W3054-L3084 HydrophobicContact CE3-CB 4.49Å; W3054-L3084 HydrophobicContact CE3-CD1 3.53Å; W3054-L3084 VanDerWaalsContact CE3-CD1 3.44Å; W3054-L3084 HydrophobicContact CG-CD1 3.42Å; W3054-L3084 VanDerWaalsContact CG-CD1 3.43Å; W3054-L3084 HydrophobicContact CZ2-CD1 4.44Å; W3054-L3084 HydrophobicContact CZ3-CD1 4.25Å; L3084-I3088 HydrophobicContact CD1-CD1 4.5Å; L3084-I3088 HydrophobicContact CD1-CG2 4.1Å; L3084-I3088 HydrophobicContact CD2-CG2 3.98Å; L3084-I3088 HydrophobicContact CG-CG2 4.49Å; L3084-E3102 PolarHBondContact N-O 3.15Å; L3084-I3103 HydrophobicContact CB-CD1 4.05Å; L3084-I3103 HydrophobicContact CD2-CD1 3.63Å; L3084-I3103 HydrophobicContact CG-CD1 4.45Å; L3084-D3104 WeakPolarHBondContact O-CB 3.25Å; L3084-D3104 PolarHBondContact O-N 2.91Å; L3084-D3104 VanDerWaalsContact O-N 3.16Å; L3084-Y3114 HydrophobicContact CB-CE1 4.46Å; L3084-Y3114 HydrophobicContact CD2-CD1 3.52Å; L3084-Y3114 VanDerWaalsContact CD2-CD1 3.45Å; L3084-Y3114 HydrophobicContact CD2-CE1 3.92Å; L3084-Y3114 HydrophobicContact CD2-CG 4.24Å; L3084-Y3114 HydrophobicContact CG-CD1 3.84Å; L3084-Y3114 HydrophobicContact CG-CE1 3.73Å; L3084-Y3114 WeakPolarHBondContact O-CE1 3.41Å; L3084-Y3114 PolarHBondContact O-OH 3.04Å; L3084-Y3114 VanDerWaalsContact O-OH 3.06Å; L3084-L3116 HydrophobicContact CD2-CD1 4.1Å; L3084-L3116 HydrophobicContact CD2-CD2 4.32Å |
| 3085 | D | 94.5 | Very high | 95.4 | Very high | 19.4 Ų | 19.4 | 44.3 Ų | 44.3 | 10% | 0.104 | 25% | 0.246 | C | C | . | . | trans | -111.9 | 13.1 | -170.4 | 67.7 | -38.6 | 0 | 0 | 0 | 114.1 | Y3053 W3054 S3055 V3083 D3104 R3112 | Y3053-D3085 HydrophobicContact CD1-CB 4.08Å; W3054-D3085 PolarHBondContact N-OD1 2.94Å; W3054-D3085 VanDerWaalsContact N-OD1 3.08Å; S3055-D3085 WeakPolarHBondContact CB-OD1 3.33Å; S3055-D3085 WeakPolarHBondContact CB-OD2 3.28Å; S3055-D3085 PolarHBondContact N-OD1 3.01Å; S3055-D3085 VanDerWaalsContact OG-CG 3.31Å; S3055-D3085 PolarHBondContact OG-OD1 2.82Å; S3055-D3085 PolarHBondContact OG-OD2 2.86Å; V3083-D3085 HydrophobicContact CG1-CB 4.22Å; V3083-D3085 PolarHBondContact O-N 3Å; D3085-D3104 HydrophobicContact CB-CB 4.29Å; D3085-R3112 VanDerWaalsContact C-NH1 3.29Å; D3085-R3112 PolarHBondContact O-NE 3.1Å; D3085-R3112 PolarHBondContact O-NH1 3.27Å; D3085-R3112 PolarHBondContact O-NH2 3.02Å | ||
| 3086 | T | 93.3 | Very high | 95.4 | Very high | 51.2 Ų | 51.2 | 40.6 Ų | 40.6 | 31% | 0.314 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -135.2 | 142.3 | 177.1 | -171.2 | 0 | 0 | 0 | 0 | 111.5 | W3054 I3088 Y3114 | W3054-T3086 HydrophobicContact CG-CG2 4.39Å; T3086-I3088 PolarHBondContact O-N 2.96Å; T3086-Y3114 VanDerWaalsContact O-CE1 3.23Å; T3086-Y3114 WeakPolarHBondContact O-CE1 3.28Å |
| 3087 | S | 95.7 | Very high | 95.5 | Very high | 54.6 Ų | 54.6 | 40.6 Ų | 40.6 | 38% | 0.382 | 23% | 0.228 | S | C | . | . | trans | -54.5 | 131.2 | 173.1 | -66.1 | 0 | 0 | 0 | 0 | 110.1 | R3112 I3113 | S3087-R3112 WeakPolarHBondContact OG-CA 3.33Å; S3087-I3113 CarbonylContact C-O 3.45Å; S3087-I3113 VanDerWaalsContact CA-O 3.26Å; S3087-I3113 WeakPolarHBondContact CA-O 3.3Å; S3087-I3113 WeakPolarHBondContact CB-O 3.29Å; S3087-I3113 PolarHBondContact OG-N 3.01Å | ||
| 3088 | I | 95.7 | Very high | 95.5 | Very high | 30.8 Ų | 30.8 | 42.3 Ų | 42.3 | 16% | 0.158 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 146.8 | -174.4 | -162.9 | 168.2 | 0 | 0 | 0 | 111 | W3054 L3084 T3086 I3090 I3113 Y3114 K3115 L3116 | W3054-I3088 HydrophobicContact CH2-CD1 4.41Å; W3054-I3088 HydrophobicContact CZ2-CD1 3.5Å; W3054-I3088 VanDerWaalsContact CZ2-CD1 3.45Å; L3084-I3088 HydrophobicContact CD1-CD1 4.5Å; L3084-I3088 HydrophobicContact CD1-CG2 4.1Å; L3084-I3088 HydrophobicContact CD2-CG2 3.98Å; L3084-I3088 HydrophobicContact CG-CG2 4.49Å; T3086-I3088 PolarHBondContact O-N 2.96Å; I3088-I3090 HydrophobicContact CD1-CB 4.1Å; I3088-I3090 HydrophobicContact CD1-CD1 4.3Å; I3088-I3090 HydrophobicContact CD1-CG2 3.96Å; I3088-I3090 HydrophobicContact CG1-CB 4.09Å; I3088-I3090 HydrophobicContact CG1-CG2 4.13Å; I3088-I3090 HydrophobicContact CG2-CG2 4.47Å; I3088-I3113 PolarHBondContact N-O 3.15Å; I3088-Y3114 HydrophobicContact CG2-CD1 4.23Å; I3088-K3115 PolarHBondContact O-N 2.9Å; I3088-L3116 HydrophobicContact CG2-CD1 4.32Å; I3088-L3116 HydrophobicContact CG2-CD2 4.13Å |
| 3089 | N | 97.3 | Very high | 95.6 | Very high | 114 Ų | 114 | 34.2 Ų | 34.2 | 61% | 0.61 | 20% | 0.197 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 104.7 | 166.3 | -176.9 | 3 | 0 | 0 | 0 | 108.2 | K3115 | N3089-K3115 CarbonylContact C-O 3.43Å; N3089-K3115 VanDerWaalsContact CA-O 3.31Å; N3089-K3115 WeakPolarHBondContact CA-O 3.31Å; N3089-K3115 HydrophobicContact CB-CB 4.21Å |
| 3090 | I | 97.2 | Very high | 95.9 | Very high | 7.4 Ų | 7.4 | 31.1 Ų | 31.1 | 4% | 0.038 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 142.4 | -172.4 | -167 | 166.9 | 0 | 0 | 0 | 111.4 | W3054 P3068 N3070 I3088 L3092 K3115 L3116 A3117 | W3054-I3090 HydrophobicContact CZ2-CD1 4.49Å; P3068-I3090 HydrophobicContact CB-CD1 4.02Å; P3068-I3090 VanDerWaalsContact O-CD1 3.32Å; P3068-I3090 WeakPolarHBondContact O-CD1 3.43Å; N3070-I3090 WeakPolarHBondContact OD1-CA 3.38Å; I3088-I3090 HydrophobicContact CD1-CB 4.1Å; I3088-I3090 HydrophobicContact CD1-CD1 4.3Å; I3088-I3090 HydrophobicContact CD1-CG2 3.96Å; I3088-I3090 HydrophobicContact CG1-CB 4.09Å; I3088-I3090 HydrophobicContact CG1-CG2 4.13Å; I3088-I3090 HydrophobicContact CG2-CG2 4.47Å; I3090-L3092 HydrophobicContact CD1-CD2 3.61Å; I3090-L3092 HydrophobicContact CD1-CG 4.26Å; I3090-L3092 HydrophobicContact CG1-CD2 3.82Å; I3090-L3092 HydrophobicContact CG1-CG 4.13Å; I3090-L3092 HydrophobicContact CG2-CG 4.43Å; I3090-K3115 PolarHBondContact N-O 3.08Å; I3090-L3116 HydrophobicContact CG2-CD2 3.47Å; I3090-L3116 VanDerWaalsContact CG2-CD2 3.43Å; I3090-L3116 HydrophobicContact CG2-CG 4.25Å; I3090-A3117 PolarHBondContact O-N 2.81Å |
| 3091 | K | 97.2 | Very high | 96.1 | Very high | 121.2 Ų | 121.2 | 30.3 Ų | 30.3 | 53% | 0.527 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 105.7 | 175.1 | -55.6 | -167.6 | 175.9 | -179.1 | 0 | 109.4 | N3070 G3071 A3117 | N3070-K3091 CarbonylContact C-O 3.47Å; N3070-K3091 VanDerWaalsContact CA-O 3.27Å; N3070-K3091 WeakPolarHBondContact CA-O 3.31Å; N3070-K3091 PolarHBondContact OD1-N 2.97Å; G3071-K3091 PolarHBondContact N-O 3.16Å; K3091-A3117 CarbonylContact C-O 3.52Å; K3091-A3117 VanDerWaalsContact CA-O 3.3Å; K3091-A3117 WeakPolarHBondContact CA-O 3.32Å; K3091-A3117 HydrophobicContact CB-CB 4.35Å; K3091-A3117 HydrophobicContact CG-CB 3.99Å |
| 3092 | L | 96.8 | Very high | 96.2 | Very high | 4.2 Ų | 4.2 | 30.3 Ų | 30.3 | 2% | 0.022 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 160.7 | -179.5 | -61.6 | 177 | 0 | 0 | 0 | 111.2 | P3068 S3072 L3074 I3090 I3095 A3117 F3118 | P3068-L3092 HydrophobicContact CB-CD2 3.79Å; S3072-L3092 CarbonylContact O-C 3.54Å; S3072-L3092 VanDerWaalsContact O-CA 3.3Å; S3072-L3092 WeakPolarHBondContact O-CA 3.42Å; S3072-L3092 WeakPolarHBondContact O-CB 3.33Å; S3072-L3092 WeakPolarHBondContact O-CD2 3.34Å; L3074-L3092 HydrophobicContact CB-CD1 3.98Å; I3090-L3092 HydrophobicContact CD1-CD2 3.61Å; I3090-L3092 HydrophobicContact CD1-CG 4.26Å; I3090-L3092 HydrophobicContact CG1-CD2 3.82Å; I3090-L3092 HydrophobicContact CG1-CG 4.13Å; I3090-L3092 HydrophobicContact CG2-CG 4.43Å; L3092-I3095 HydrophobicContact CB-CG1 4.43Å; L3092-I3095 HydrophobicContact CD1-CD1 3.99Å; L3092-I3095 HydrophobicContact CD1-CG1 3.74Å; L3092-A3117 PolarHBondContact N-O 3.02Å; L3092-F3118 HydrophobicContact CB-CB 4.32Å; L3092-F3118 VanDerWaalsContact O-CA 3.27Å; L3092-F3118 WeakPolarHBondContact O-CA 3.36Å |
| 3093 | N | 94.8 | Very high | 96.2 | Very high | 67.6 Ų | 67.6 | 30.4 Ų | 30.4 | 36% | 0.361 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -69.3 | 165.6 | -79.1 | -24.9 | 0 | 0 | 0 | 108.9 | G3071 S3072 K3119 Q3120 | G3071-N3093 PolarHBondContact O-ND2 2.91Å; S3072-N3093 PolarHBondContact O-N 3.03Å; N3093-K3119 WeakPolarHBondContact O-CA 3.44Å; N3093-K3119 WeakPolarHBondContact O-CB 3.4Å; N3093-K3119 PolarHBondContact O-N 2.95Å; N3093-Q3120 PolarHBondContact O-N 3Å |
| 3094 | N | 95 | Very high | 96.1 | Very high | 40 Ų | 40 | 31.9 Ų | 31.9 | 21% | 0.214 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 146 | -177.2 | -61 | -24.6 | 0 | 0 | 0 | 112.1 | S3073 L3074 Q3120 I3156 | S3073-N3094 CarbonylContact C-O 3.53Å; S3073-N3094 WeakPolarHBondContact CA-O 3.35Å; S3073-N3094 VanDerWaalsContact CB-O 3.31Å; S3073-N3094 WeakPolarHBondContact CB-O 3.34Å; S3073-N3094 PolarHBondContact OG-N 3.23Å; L3074-N3094 PolarHBondContact N-O 3.14Å; N3094-Q3120 CarbonylContact C-O 3.51Å; N3094-Q3120 VanDerWaalsContact CA-O 3.29Å; N3094-Q3120 WeakPolarHBondContact CA-O 3.36Å; N3094-I3156 HydrophobicContact CB-CD1 4.43Å |
| 3095 | I | 97.4 | Very high | 96.1 | Very high | 1.4 Ų | 1.4 | 33.4 Ų | 33.4 | 1% | 0.007 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 113.7 | 169.8 | -58.5 | 172.6 | 0 | 0 | 0 | 108 | L3074 L3092 I3097 L3101 L3116 F3118 Q3120 M3121 L3122 | L3074-I3095 HydrophobicContact CB-CG1 4.48Å; L3074-I3095 HydrophobicContact CD2-CG2 4.19Å; L3074-I3095 CarbonylContact O-C 3.55Å; L3074-I3095 WeakPolarHBondContact O-CA 3.24Å; L3092-I3095 HydrophobicContact CB-CG1 4.43Å; L3092-I3095 HydrophobicContact CD1-CD1 3.99Å; L3092-I3095 HydrophobicContact CD1-CG1 3.74Å; I3095-I3097 HydrophobicContact CG2-CD1 4.01Å; I3095-I3097 HydrophobicContact CG2-CG1 3.98Å; I3095-L3101 HydrophobicContact CG2-CD2 4.24Å; I3095-L3116 HydrophobicContact CD1-CD2 4.49Å; I3095-F3118 HydrophobicContact CD1-CB 4.03Å; I3095-F3118 HydrophobicContact CD1-CD1 3.55Å; I3095-F3118 HydrophobicContact CD1-CE1 4.16Å; I3095-F3118 HydrophobicContact CD1-CG 3.78Å; I3095-F3118 HydrophobicContact CG1-CB 4.29Å; I3095-F3118 HydrophobicContact CG1-CG 4.41Å; I3095-Q3120 PolarHBondContact N-O 3.14Å; I3095-M3121 HydrophobicContact CB-CB 4.2Å; I3095-M3121 HydrophobicContact CB-CE 4.4Å; I3095-M3121 HydrophobicContact CB-CG 4.05Å; I3095-M3121 HydrophobicContact CD1-CE 3.75Å; I3095-M3121 HydrophobicContact CG2-CE 4.23Å; I3095-M3121 HydrophobicContact CG2-CG 4.12Å; I3095-M3121 CarbonylContact O-C 3.55Å; I3095-M3121 VanDerWaalsContact O-CA 3.23Å; I3095-M3121 WeakPolarHBondContact O-CA 3.35Å; I3095-L3122 PolarHBondContact O-N 2.81Å |
| 3096 | T | 97.1 | Very high | 96 | Very high | 12.8 Ų | 12.8 | 33 Ų | 33 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.2 | 178.9 | -52.5 | 0 | 0 | 0 | 0 | 110.3 | L3074 I3075 V3076 Y3098 L3122 I3124 | L3074-T3096 PolarHBondContact O-N 3.01Å; I3075-T3096 CarbonylContact C-O 3.55Å; I3075-T3096 VanDerWaalsContact CA-O 3.29Å; I3075-T3096 WeakPolarHBondContact CA-O 3.42Å; V3076-T3096 PolarHBondContact N-O 2.91Å; T3096-Y3098 HydrophobicContact CG2-CD2 4.16Å; T3096-Y3098 HydrophobicContact CG2-CE1 4.41Å; T3096-Y3098 HydrophobicContact CG2-CE2 3.53Å; T3096-L3122 CarbonylContact C-O 3.54Å; T3096-L3122 WeakPolarHBondContact CA-O 3.27Å; T3096-I3124 HydrophobicContact CG2-CD1 4.05Å |
| 3097 | I | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 104.8 | -171.9 | -57.6 | 163.5 | 0 | 0 | 0 | 109.4 | V3076 I3095 G3099 L3101 M3121 L3122 I3123 I3124 Q3127 F3128 | V3076-I3097 HydrophobicContact CB-CG2 4.38Å; V3076-I3097 HydrophobicContact CG2-CG1 4.46Å; I3095-I3097 HydrophobicContact CG2-CD1 4.01Å; I3095-I3097 HydrophobicContact CG2-CG1 3.98Å; I3097-G3099 WeakPolarHBondContact CG2-O 3.3Å; I3097-L3101 HydrophobicContact CD1-CB 3.82Å; I3097-L3101 HydrophobicContact CD1-CD2 3.94Å; I3097-L3101 HydrophobicContact CD1-CG 4.5Å; I3097-L3101 HydrophobicContact CG1-CB 4.17Å; I3097-L3101 HydrophobicContact CG1-CD2 4.45Å; I3097-L3101 HydrophobicContact CG2-CB 4.44Å; I3097-M3121 HydrophobicContact CD1-CG 4.43Å; I3097-M3121 HydrophobicContact CD1-SD 4.34Å; I3097-L3122 PolarHBondContact N-O 3.22Å; I3097-I3123 HydrophobicContact CD1-CG1 4.15Å; I3097-I3124 PolarHBondContact O-N 3.12Å; I3097-Q3127 WeakPolarHBondContact CG2-O 3.35Å; I3097-F3128 HydrophobicContact CD1-CB 4.05Å; I3097-F3128 HydrophobicContact CD1-CD2 3.84Å; I3097-F3128 HydrophobicContact CD1-CG 4.39Å |
| 3098 | Y | 95.3 | Very high | 95.7 | Very high | 66.8 Ų | 66.8 | 36.2 Ų | 36.2 | 26% | 0.262 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -97.1 | -25.5 | 168.9 | -58.9 | -75.3 | 0 | 0 | 0 | 112.5 | I3075 V3076 T3096 I3124 Y3300 | I3075-Y3098 HydrophobicContact CG2-CD2 4.11Å; I3075-Y3098 HydrophobicContact CG2-CE2 4.09Å; V3076-Y3098 WeakPolarHBondContact O-CA 3.34Å; V3076-Y3098 WeakPolarHBondContact O-CB 3.37Å; V3076-Y3098 PolarHBondContact O-N 3.11Å; T3096-Y3098 HydrophobicContact CG2-CD2 4.16Å; T3096-Y3098 HydrophobicContact CG2-CE1 4.41Å; T3096-Y3098 HydrophobicContact CG2-CE2 3.53Å; Y3098-I3124 WeakPolarHBondContact CA-O 3.41Å; Y3098-I3124 HydrophobicContact CD1-CB 3.85Å; Y3098-I3124 HydrophobicContact CD1-CG2 4.12Å; Y3098-I3124 HydrophobicContact CE1-CB 3.76Å; Y3098-I3124 HydrophobicContact CE1-CD1 3.84Å; Y3098-I3124 HydrophobicContact CE1-CG1 4.35Å; Y3098-I3124 HydrophobicContact CE1-CG2 3.87Å; Y3098-Y3300 HydrophobicContact CD1-CE1 4.42Å; Y3098-Y3300 AromaticContact CE1-CE1 3.91Å; Y3098-Y3300 HydrophobicContact CE1-CE1 3.91Å; Y3098-Y3300 HydrophobicContact CE1-CE2 4.32Å; Y3098-Y3300 AromaticContact CE1-CZ 3.55Å; Y3098-Y3300 VanDerWaalsContact CE1-CZ 3.47Å; Y3098-Y3300 WeakPolarHBondContact CE1-OH 3.36Å; Y3098-Y3300 PolarHBondContact OH-OH 2.78Å; Y3098-Y3300 VanDerWaalsContact OH-OH 3.07Å |
| 3099 | G | 94.8 | Very high | 95.4 | Very high | 6.2 Ų | 6.2 | 43.7 Ų | 43.7 | 6% | 0.064 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -98 | -132.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V3076 P3077 T3080 I3097 G3126 Q3127 | V3076-G3099 PolarHBondContact O-N 2.97Å; V3076-G3099 VanDerWaalsContact O-N 3.08Å; P3077-G3099 VanDerWaalsContact O-CA 3.24Å; P3077-G3099 WeakPolarHBondContact O-CA 3.29Å; P3077-G3099 PolarHBondContact O-N 2.85Å; T3080-G3099 CarbonylContact O-C 3.45Å; T3080-G3099 VanDerWaalsContact O-CA 3.31Å; T3080-G3099 WeakPolarHBondContact O-CA 3.33Å; I3097-G3099 WeakPolarHBondContact CG2-O 3.3Å; G3099-G3126 CarbonylContact O-C 3.55Å; G3099-G3126 WeakPolarHBondContact O-CA 3.31Å; G3099-Q3127 PolarHBondContact O-N 3.1Å |
| 3100 | T | 96.5 | Very high | 95.1 | Very high | 11.2 Ų | 11.2 | 41.6 Ų | 41.6 | 7% | 0.069 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127 | 175.8 | -59.9 | 0 | 0 | 0 | 0 | 110.4 | T3080 W3081 L3082 Q3127 L3129 | T3080-T3100 PolarHBondContact O-N 3.11Å; W3081-T3100 CarbonylContact C-O 3.52Å; W3081-T3100 WeakPolarHBondContact CA-O 3.3Å; W3081-T3100 HydrophobicContact CD2-CG2 3.56Å; W3081-T3100 VanDerWaalsContact CE2-CG2 3.44Å; W3081-T3100 HydrophobicContact CE3-CG2 3.82Å; W3081-T3100 HydrophobicContact CG-CG2 4.17Å; W3081-T3100 HydrophobicContact CH2-CG2 3.92Å; W3081-T3100 HydrophobicContact CZ2-CG2 3.66Å; W3081-T3100 HydrophobicContact CZ3-CG2 4Å; L3082-T3100 PolarHBondContact N-O 2.95Å; T3100-Q3127 CarbonylContact C-O 3.57Å; T3100-Q3127 VanDerWaalsContact CA-O 3.31Å; T3100-Q3127 WeakPolarHBondContact CA-O 3.38Å; T3100-Q3127 HydrophobicContact CG2-CB 4.05Å; T3100-L3129 HydrophobicContact CG2-CD1 3.61Å; T3100-L3129 HydrophobicContact CG2-CG 3.99Å |
| 3101 | L | 97.2 | Very high | 95 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 114 | 166.9 | 179 | 58.2 | 0 | 0 | 0 | 108.6 | L3074 V3076 L3082 I3095 I3097 Q3127 F3128 L3129 | L3074-L3101 HydrophobicContact CD2-CD2 4.01Å; V3076-L3101 HydrophobicContact CG2-CB 4.29Å; L3082-L3101 HydrophobicContact CB-CD1 4.35Å; L3082-L3101 HydrophobicContact CD2-CD1 4.11Å; L3082-L3101 HydrophobicContact CG-CD1 4.12Å; L3082-L3101 WeakPolarHBondContact O-CA 3.29Å; I3095-L3101 HydrophobicContact CG2-CD2 4.24Å; I3097-L3101 HydrophobicContact CD1-CB 3.82Å; I3097-L3101 HydrophobicContact CD1-CD2 3.94Å; I3097-L3101 HydrophobicContact CD1-CG 4.5Å; I3097-L3101 HydrophobicContact CG1-CB 4.17Å; I3097-L3101 HydrophobicContact CG1-CD2 4.45Å; I3097-L3101 HydrophobicContact CG2-CB 4.44Å; L3101-Q3127 PolarHBondContact N-O 3.14Å; L3101-F3128 HydrophobicContact CB-CD2 4.11Å; L3101-F3128 HydrophobicContact CD2-CD2 3.88Å; L3101-F3128 HydrophobicContact CD2-CE2 3.82Å; L3101-F3128 HydrophobicContact CG-CD2 4.02Å; L3101-F3128 HydrophobicContact CG-CE2 4.08Å; L3101-F3128 WeakPolarHBondContact O-CA 3.35Å; L3101-L3129 PolarHBondContact O-N 3.18Å |
| 3102 | E | 96.9 | Very high | 94.9 | Very high | 22.4 Ų | 22.4 | 42.1 Ų | 42.1 | 11% | 0.105 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 132.7 | -179.1 | -176.1 | -175.2 | 176.5 | 0 | 0 | 110.8 | R3047 W3081 L3082 V3083 L3084 L3129 | R3047-E3102 IonicContact CZ-OE1 3.29Å; R3047-E3102 IonicContact CZ-OE2 3.09Å; R3047-E3102 IonicContact NE-OE1 3.18Å; R3047-E3102 PolarHBondContact NE-OE1 3.06Å; R3047-E3102 IonicContact NE-OE2 2.78Å; R3047-E3102 PolarHBondContact NE-OE2 2.85Å; R3047-E3102 VanDerWaalsContact NH2-CD 3.26Å; R3047-E3102 IonicContact NH2-OE1 3.39Å; R3047-E3102 PolarHBondContact NH2-OE1 3Å; R3047-E3102 IonicContact NH2-OE2 3.58Å; R3047-E3102 PolarHBondContact NH2-OE2 3.24Å; W3081-E3102 PolarHBondContact NE1-OE2 3.03Å; L3082-E3102 PolarHBondContact O-N 3.03Å; V3083-E3102 CarbonylContact C-O 3.53Å; V3083-E3102 WeakPolarHBondContact CA-O 3.3Å; V3083-E3102 HydrophobicContact CG2-CB 4.45Å; L3084-E3102 PolarHBondContact N-O 3.15Å; E3102-L3129 CarbonylContact C-O 3.49Å; E3102-L3129 WeakPolarHBondContact CA-O 3.35Å; E3102-L3129 HydrophobicContact CB-CB 4.36Å; E3102-L3129 HydrophobicContact CG-CB 4.24Å |
| 3103 | I | 97.4 | Very high | 94.9 | Very high | 1.8 Ų | 1.8 | 46.1 Ų | 46.1 | 1% | 0.009 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 116.4 | 170.6 | -49.6 | -62.5 | 0 | 0 | 0 | 107.9 | L3084 Y3114 L3116 F3128 L3129 A3130 L3138 L3143 | L3084-I3103 HydrophobicContact CB-CD1 4.05Å; L3084-I3103 HydrophobicContact CD2-CD1 3.63Å; L3084-I3103 HydrophobicContact CG-CD1 4.45Å; I3103-Y3114 HydrophobicContact CG2-CD1 4.47Å; I3103-Y3114 HydrophobicContact CG2-CD2 3.41Å; I3103-Y3114 VanDerWaalsContact CG2-CD2 3.42Å; I3103-Y3114 HydrophobicContact CG2-CE1 4.45Å; I3103-Y3114 HydrophobicContact CG2-CE2 3.34Å; I3103-Y3114 VanDerWaalsContact CG2-CE2 3.4Å; I3103-Y3114 HydrophobicContact CG2-CG 4.01Å; I3103-L3116 HydrophobicContact CD1-CD1 4.26Å; I3103-F3128 HydrophobicContact CD1-CE2 4.08Å; I3103-F3128 HydrophobicContact CD1-CZ 4.09Å; I3103-F3128 HydrophobicContact CG1-CE2 4.2Å; I3103-F3128 HydrophobicContact CG1-CZ 3.88Å; I3103-L3129 PolarHBondContact N-O 3.03Å; I3103-A3130 HydrophobicContact CB-CB 3.88Å; I3103-A3130 HydrophobicContact CG1-CB 3.86Å; I3103-L3138 HydrophobicContact CB-CD1 4.46Å; I3103-L3138 HydrophobicContact CG2-CD1 4.06Å; I3103-L3138 HydrophobicContact CG2-CD2 4.34Å; I3103-L3143 HydrophobicContact CB-CD2 4.49Å; I3103-L3143 HydrophobicContact CD1-CD1 4.41Å; I3103-L3143 HydrophobicContact CG1-CD1 4.43Å; I3103-L3143 HydrophobicContact CG1-CD2 4.03Å; I3103-L3143 HydrophobicContact CG2-CD1 4.38Å; I3103-L3143 HydrophobicContact CG2-CD2 4.42Å |
| 3104 | D | 95.8 | Very high | 95.1 | Very high | 31 Ų | 31 | 42.9 Ų | 42.9 | 17% | 0.166 | 23% | 0.229 | C | C | . | . | trans | -78.1 | 142.2 | -174.8 | -165.6 | 55.3 | 0 | 0 | 0 | 111.8 | R3047 V3083 L3084 D3085 G3106 R3112 Y3114 L3138 | R3047-D3104 IonicContact CZ-OD1 2.96Å; R3047-D3104 IonicContact NH1-OD1 3.22Å; R3047-D3104 PolarHBondContact NH1-OD1 2.89Å; R3047-D3104 IonicContact NH1-OD2 2.67Å; R3047-D3104 PolarHBondContact NH1-OD2 2.97Å; R3047-D3104 VanDerWaalsContact NH2-CG 3.33Å; R3047-D3104 IonicContact NH2-OD1 3.71Å; R3047-D3104 PolarHBondContact NH2-OD1 3.14Å; R3047-D3104 IonicContact NH2-OD2 3.34Å; V3083-D3104 HydrophobicContact CG1-CB 3.76Å; L3084-D3104 WeakPolarHBondContact O-CB 3.25Å; L3084-D3104 PolarHBondContact O-N 2.91Å; L3084-D3104 VanDerWaalsContact O-N 3.16Å; D3085-D3104 HydrophobicContact CB-CB 4.29Å; D3104-G3106 VanDerWaalsContact C-N 3.27Å; D3104-G3106 PolarHBondContact O-N 3.1Å; D3104-G3106 VanDerWaalsContact O-N 3.17Å; D3104-G3106 WeakPolarHBondContact OD2-CA 3.35Å; D3104-G3106 PolarHBondContact OD2-N 3.12Å; D3104-R3112 PolarHBondContact O-NH1 3.04Å; D3104-R3112 IonicContact OD2-CZ 3.5Å; D3104-R3112 VanDerWaalsContact OD2-CZ 3.32Å; D3104-R3112 IonicContact OD2-NH1 3.1Å; D3104-R3112 PolarHBondContact OD2-NH1 2.99Å; D3104-R3112 IonicContact OD2-NH2 3.04Å; D3104-R3112 PolarHBondContact OD2-NH2 3.27Å; D3104-Y3114 VanDerWaalsContact O-CE2 3.32Å; D3104-Y3114 WeakPolarHBondContact O-CE2 3.36Å; D3104-Y3114 PolarHBondContact O-OH 2.93Å; D3104-Y3114 VanDerWaalsContact O-OH 3.08Å; D3104-L3138 WeakPolarHBondContact O-CD1 3.32Å | ||
| 3105 | S | 94.7 | Very high | 95.2 | Very high | 34.4 Ų | 34.4 | 44.8 Ų | 44.8 | 24% | 0.241 | 24% | 0.236 | C | C | . | . | trans | -70.5 | 109 | 174.9 | -68.8 | 0 | 0 | 0 | 0 | 111.7 | R3112 P3137 L3138 T3139 N3140 A3141 | S3105-R3112 PolarHBondContact O-NH1 3.2Å; S3105-P3137 PolarHBondContact OG-O 3.15Å; S3105-L3138 WeakPolarHBondContact OG-CA 3.38Å; S3105-T3139 WeakPolarHBondContact CA-O 3.24Å; S3105-T3139 VanDerWaalsContact CB-O 3.32Å; S3105-T3139 WeakPolarHBondContact CB-O 3.13Å; S3105-T3139 PolarHBondContact OG-N 2.99Å; S3105-T3139 VanDerWaalsContact OG-N 3.09Å; S3105-T3139 PolarHBondContact OG-OG1 3.11Å; S3105-N3140 CarbonylContact O-C 3.53Å; S3105-N3140 WeakPolarHBondContact O-CA 3.43Å; S3105-N3140 WeakPolarHBondContact O-CB 3.22Å; S3105-N3140 PolarHBondContact O-N 2.93Å; S3105-A3141 PolarHBondContact O-N 2.82Å | ||
| 3106 | G | 92.7 | Very high | 95.2 | Very high | 11.2 Ų | 11.2 | 45.2 Ų | 45.2 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | trans | -36.5 | -167 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D3104 D3110 T3139 N3140 | D3104-G3106 VanDerWaalsContact C-N 3.27Å; D3104-G3106 PolarHBondContact O-N 3.1Å; D3104-G3106 VanDerWaalsContact O-N 3.17Å; D3104-G3106 WeakPolarHBondContact OD2-CA 3.35Å; D3104-G3106 PolarHBondContact OD2-N 3.12Å; G3106-D3110 WeakPolarHBondContact CA-O 3.36Å; G3106-T3139 PolarHBondContact N-O 2.94Å; G3106-T3139 VanDerWaalsContact N-O 3.15Å; G3106-N3140 VanDerWaalsContact C-CB 3.41Å; G3106-N3140 WeakPolarHBondContact CA-O 3.35Å | ||
| 3107 | T | 93.3 | Very high | 95.3 | Very high | 75 Ų | 75 | 45 Ų | 45 | 46% | 0.46 | 24% | 0.237 | S | C | . | . | B | Isolated β-bridge | trans | -125.5 | 168.3 | 170.3 | 68.5 | 0 | 0 | 0 | 0 | 110 | Q3109 D3110 Q3111 N3140 | T3107-Q3109 PolarHBondContact O-N 3.02Å; T3107-Q3109 VanDerWaalsContact O-N 3.12Å; T3107-Q3109 PolarHBondContact OG1-N 3.15Å; T3107-D3110 PolarHBondContact N-O 2.96Å; T3107-D3110 VanDerWaalsContact N-O 3.12Å; T3107-D3110 CarbonylContact O-C 3.38Å; T3107-D3110 VanDerWaalsContact O-C 3.26Å; T3107-D3110 PolarHBondContact O-N 2.93Å; T3107-D3110 VanDerWaalsContact O-O 3.09Å; T3107-D3110 WeakPolarHBondContact OG1-CB 3.4Å; T3107-D3110 PolarHBondContact OG1-N 2.96Å; T3107-D3110 VanDerWaalsContact OG1-N 3.13Å; T3107-Q3111 PolarHBondContact O-N 2.97Å; T3107-Q3111 PolarHBondContact O-NE2 3.02Å; T3107-N3140 VanDerWaalsContact C-ND2 3.33Å; T3107-N3140 WeakPolarHBondContact O-CB 3.42Å; T3107-N3140 PolarHBondContact O-ND2 2.8Å |
| 3108 | S | 88.8 | Confident | 95.3 | Very high | 97 Ų | 97 | 45 Ų | 45 | 68% | 0.678 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | -31.8 | 174.9 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | Q3111 N3140 | S3108-Q3111 PolarHBondContact O-NE2 3.02Å; S3108-N3140 WeakPolarHBondContact CA-ND2 3.49Å; S3108-N3140 PolarHBondContact N-ND2 2.83Å; S3108-N3140 PolarHBondContact N-OD1 2.98Å |
| 3109 | Q | 90.9 | Very high | 95.3 | Very high | 189.4 Ų | 189.4 | 45.2 Ų | 45.2 | 89% | 0.885 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -18.7 | 178.3 | -63.5 | -177.9 | -8.2 | 0 | 0 | 113.7 | T3107 | T3107-Q3109 PolarHBondContact O-N 3.02Å; T3107-Q3109 VanDerWaalsContact O-N 3.12Å; T3107-Q3109 PolarHBondContact OG1-N 3.15Å |
| 3110 | D | 90.7 | Very high | 95.4 | Very high | 68.6 Ų | 68.6 | 45.2 Ų | 45.2 | 37% | 0.367 | 24% | 0.238 | S | C | . | . | B | Isolated β-bridge | trans | -133.1 | 78.7 | -176.4 | -174.4 | 19 | 0 | 0 | 0 | 109.4 | G3106 T3107 R3112 | G3106-D3110 WeakPolarHBondContact CA-O 3.36Å; T3107-D3110 PolarHBondContact N-O 2.96Å; T3107-D3110 VanDerWaalsContact N-O 3.12Å; T3107-D3110 CarbonylContact O-C 3.38Å; T3107-D3110 VanDerWaalsContact O-C 3.26Å; T3107-D3110 PolarHBondContact O-N 2.93Å; T3107-D3110 VanDerWaalsContact O-O 3.09Å; T3107-D3110 WeakPolarHBondContact OG1-CB 3.4Å; T3107-D3110 PolarHBondContact OG1-N 2.96Å; T3107-D3110 VanDerWaalsContact OG1-N 3.13Å; D3110-R3112 VanDerWaalsContact CG-CZ 3.46Å; D3110-R3112 IonicContact OD1-CZ 3.09Å; D3110-R3112 IonicContact OD1-NE 3.63Å; D3110-R3112 IonicContact OD1-NH1 3.42Å; D3110-R3112 PolarHBondContact OD1-NH1 3.06Å; D3110-R3112 IonicContact OD1-NH2 3.65Å; D3110-R3112 IonicContact OD2-CZ 3.15Å; D3110-R3112 IonicContact OD2-NE 2.78Å; D3110-R3112 PolarHBondContact OD2-NE 3.27Å; D3110-R3112 IonicContact OD2-NH1 3.21Å; D3110-R3112 PolarHBondContact OD2-NH1 2.97Å; D3110-R3112 IonicContact OD2-NH2 3.21Å; D3110-R3112 PolarHBondContact OD2-NH2 3.22Å; D3110-R3112 VanDerWaalsContact OD2-NH2 3.13Å |
| 3111 | Q | 93.7 | Very high | 95.5 | Very high | 101 Ų | 101 | 44.6 Ų | 44.6 | 47% | 0.472 | 23% | 0.234 | S | C | . | . | trans | -71.5 | 129.7 | 176.1 | -62.3 | -62.4 | -51 | 0 | 0 | 109.8 | T3107 S3108 N3140 | T3107-Q3111 PolarHBondContact O-N 2.97Å; T3107-Q3111 PolarHBondContact O-NE2 3.02Å; S3108-Q3111 PolarHBondContact O-NE2 3.02Å; Q3111-N3140 CarbonylContact C-O 3.49Å; Q3111-N3140 VanDerWaalsContact CA-O 3.31Å; Q3111-N3140 WeakPolarHBondContact CA-O 3.3Å; Q3111-N3140 PolarHBondContact NE2-ND2 2.9Å; Q3111-N3140 VanDerWaalsContact OE1-C 3.3Å; Q3111-N3140 VanDerWaalsContact OE1-CA 3.24Å; Q3111-N3140 PolarHBondContact OE1-ND2 3.16Å; Q3111-N3140 PolarHBondContact OE1-O 2.94Å | ||
| 3112 | R | 95.6 | Very high | 95.5 | Very high | 38.6 Ų | 38.6 | 44.6 Ų | 44.6 | 15% | 0.146 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 141.5 | -176.6 | -57.9 | -106.4 | -172.3 | -171.5 | -1 | 112.5 | D3085 S3087 D3104 S3105 D3110 Y3114 N3140 A3141 T3142 | D3085-R3112 VanDerWaalsContact C-NH1 3.29Å; D3085-R3112 PolarHBondContact O-NE 3.1Å; D3085-R3112 PolarHBondContact O-NH1 3.27Å; D3085-R3112 PolarHBondContact O-NH2 3.02Å; S3087-R3112 WeakPolarHBondContact OG-CA 3.33Å; D3104-R3112 PolarHBondContact O-NH1 3.04Å; D3104-R3112 IonicContact OD2-CZ 3.5Å; D3104-R3112 VanDerWaalsContact OD2-CZ 3.32Å; D3104-R3112 IonicContact OD2-NH1 3.1Å; D3104-R3112 PolarHBondContact OD2-NH1 2.99Å; D3104-R3112 IonicContact OD2-NH2 3.04Å; D3104-R3112 PolarHBondContact OD2-NH2 3.27Å; S3105-R3112 PolarHBondContact O-NH1 3.2Å; D3110-R3112 VanDerWaalsContact CG-CZ 3.46Å; D3110-R3112 IonicContact OD1-CZ 3.09Å; D3110-R3112 IonicContact OD1-NE 3.63Å; D3110-R3112 IonicContact OD1-NH1 3.42Å; D3110-R3112 PolarHBondContact OD1-NH1 3.06Å; D3110-R3112 IonicContact OD1-NH2 3.65Å; D3110-R3112 IonicContact OD2-CZ 3.15Å; D3110-R3112 IonicContact OD2-NE 2.78Å; D3110-R3112 PolarHBondContact OD2-NE 3.27Å; D3110-R3112 IonicContact OD2-NH1 3.21Å; D3110-R3112 PolarHBondContact OD2-NH1 2.97Å; D3110-R3112 IonicContact OD2-NH2 3.21Å; D3110-R3112 PolarHBondContact OD2-NH2 3.22Å; D3110-R3112 VanDerWaalsContact OD2-NH2 3.13Å; R3112-Y3114 HydrophobicContact CB-CD2 4.31Å; R3112-Y3114 HydrophobicContact CB-CE1 4.3Å; R3112-Y3114 HydrophobicContact CB-CE2 3.61Å; R3112-Y3114 VanDerWaalsContact CB-CE2 3.41Å; R3112-Y3114 WeakPolarHBondContact CD-OH 3.39Å; R3112-Y3114 HydrophobicContact CG-CE2 4.29Å; R3112-Y3114 WeakPolarHBondContact CG-OH 3.31Å; R3112-Y3114 PolarHBondContact NH1-OH 2.79Å; R3112-N3140 PolarHBondContact N-O 2.93Å; R3112-A3141 HydrophobicContact CB-CB 3.79Å; R3112-A3141 CarbonylContact O-C 3.53Å; R3112-A3141 VanDerWaalsContact O-CA 3.22Å; R3112-A3141 WeakPolarHBondContact O-CA 3.25Å; R3112-A3141 WeakPolarHBondContact O-CB 3.38Å; R3112-T3142 PolarHBondContact O-N 2.88Å; R3112-T3142 PolarHBondContact O-OG1 2.87Å |
| 3113 | I | 97.3 | Very high | 95.5 | Very high | 89.4 Ų | 89.4 | 43.5 Ų | 43.5 | 46% | 0.458 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 113 | 175.2 | -57.3 | 175 | 0 | 0 | 0 | 108.1 | S3087 I3088 K3115 | S3087-I3113 CarbonylContact C-O 3.45Å; S3087-I3113 VanDerWaalsContact CA-O 3.26Å; S3087-I3113 WeakPolarHBondContact CA-O 3.3Å; S3087-I3113 WeakPolarHBondContact CB-O 3.29Å; S3087-I3113 PolarHBondContact OG-N 3.01Å; I3088-I3113 PolarHBondContact N-O 3.15Å; I3113-K3115 HydrophobicContact CG2-CG 4.26Å |
| 3114 | Y | 98.1 | Very high | 95.4 | Very high | 0.2 Ų | 0.2 | 43.7 Ų | 43.7 | 0% | 0.001 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 114.6 | 179.8 | -53.3 | -71.2 | 0 | 0 | 0 | 109.7 | L3084 T3086 I3088 I3103 D3104 R3112 A3141 T3142 L3143 E3144 | L3084-Y3114 HydrophobicContact CB-CE1 4.46Å; L3084-Y3114 HydrophobicContact CD2-CD1 3.52Å; L3084-Y3114 VanDerWaalsContact CD2-CD1 3.45Å; L3084-Y3114 HydrophobicContact CD2-CE1 3.92Å; L3084-Y3114 HydrophobicContact CD2-CG 4.24Å; L3084-Y3114 HydrophobicContact CG-CD1 3.84Å; L3084-Y3114 HydrophobicContact CG-CE1 3.73Å; L3084-Y3114 WeakPolarHBondContact O-CE1 3.41Å; L3084-Y3114 PolarHBondContact O-OH 3.04Å; L3084-Y3114 VanDerWaalsContact O-OH 3.06Å; T3086-Y3114 VanDerWaalsContact O-CE1 3.23Å; T3086-Y3114 WeakPolarHBondContact O-CE1 3.28Å; I3088-Y3114 HydrophobicContact CG2-CD1 4.23Å; I3103-Y3114 HydrophobicContact CG2-CD1 4.47Å; I3103-Y3114 HydrophobicContact CG2-CD2 3.41Å; I3103-Y3114 VanDerWaalsContact CG2-CD2 3.42Å; I3103-Y3114 HydrophobicContact CG2-CE1 4.45Å; I3103-Y3114 HydrophobicContact CG2-CE2 3.34Å; I3103-Y3114 VanDerWaalsContact CG2-CE2 3.4Å; I3103-Y3114 HydrophobicContact CG2-CG 4.01Å; D3104-Y3114 VanDerWaalsContact O-CE2 3.32Å; D3104-Y3114 WeakPolarHBondContact O-CE2 3.36Å; D3104-Y3114 PolarHBondContact O-OH 2.93Å; D3104-Y3114 VanDerWaalsContact O-OH 3.08Å; R3112-Y3114 HydrophobicContact CB-CD2 4.31Å; R3112-Y3114 HydrophobicContact CB-CE1 4.3Å; R3112-Y3114 HydrophobicContact CB-CE2 3.61Å; R3112-Y3114 VanDerWaalsContact CB-CE2 3.41Å; R3112-Y3114 WeakPolarHBondContact CD-OH 3.39Å; R3112-Y3114 HydrophobicContact CG-CE2 4.29Å; R3112-Y3114 WeakPolarHBondContact CG-OH 3.31Å; R3112-Y3114 PolarHBondContact NH1-OH 2.79Å; Y3114-A3141 HydrophobicContact CD2-CB 4.18Å; Y3114-A3141 HydrophobicContact CE2-CB 3.7Å; Y3114-T3142 WeakPolarHBondContact CB-O 3.49Å; Y3114-T3142 WeakPolarHBondContact CD2-O 3.33Å; Y3114-T3142 PolarHBondContact N-O 3Å; Y3114-L3143 HydrophobicContact CG-CD1 4.44Å; Y3114-L3143 CarbonylContact O-C 3.54Å; Y3114-L3143 WeakPolarHBondContact O-CA 3.24Å; Y3114-E3144 PolarHBondContact O-N 3.12Å |
| 3115 | K | 97.9 | Very high | 95.2 | Very high | 80.4 Ų | 80.4 | 43.9 Ų | 43.9 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 101.2 | 173.4 | -61.6 | -169.9 | 175 | -144.1 | 0 | 108.9 | I3088 N3089 I3090 I3113 E3144 | I3088-K3115 PolarHBondContact O-N 2.9Å; N3089-K3115 CarbonylContact C-O 3.43Å; N3089-K3115 VanDerWaalsContact CA-O 3.31Å; N3089-K3115 WeakPolarHBondContact CA-O 3.31Å; N3089-K3115 HydrophobicContact CB-CB 4.21Å; I3090-K3115 PolarHBondContact N-O 3.08Å; I3113-K3115 HydrophobicContact CG2-CG 4.26Å; K3115-E3144 WeakPolarHBondContact CD-OE2 3.12Å; K3115-E3144 VanDerWaalsContact CE-OE2 3.27Å; K3115-E3144 WeakPolarHBondContact CE-OE2 3.25Å; K3115-E3144 HydrophobicContact CG-CB 4.33Å; K3115-E3144 VanDerWaalsContact NZ-CD 3.25Å; K3115-E3144 IonicContact NZ-OE1 3.25Å; K3115-E3144 PolarHBondContact NZ-OE1 3.21Å; K3115-E3144 IonicContact NZ-OE2 3.05Å; K3115-E3144 PolarHBondContact NZ-OE2 3.14Å |
| 3116 | L | 97.9 | Very high | 95.1 | Very high | 7.8 Ų | 7.8 | 42.4 Ų | 42.4 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 111.5 | -179.6 | -65.6 | 115 | 0 | 0 | 0 | 108.2 | L3084 I3088 I3090 I3095 I3103 F3118 L3143 E3144 L3145 T3146 | L3084-L3116 HydrophobicContact CD2-CD1 4.1Å; L3084-L3116 HydrophobicContact CD2-CD2 4.32Å; I3088-L3116 HydrophobicContact CG2-CD1 4.32Å; I3088-L3116 HydrophobicContact CG2-CD2 4.13Å; I3090-L3116 HydrophobicContact CG2-CD2 3.47Å; I3090-L3116 VanDerWaalsContact CG2-CD2 3.43Å; I3090-L3116 HydrophobicContact CG2-CG 4.25Å; I3095-L3116 HydrophobicContact CD1-CD2 4.49Å; I3103-L3116 HydrophobicContact CD1-CD1 4.26Å; L3116-F3118 HydrophobicContact CB-CD1 4.44Å; L3116-L3143 HydrophobicContact CD1-CD1 3.92Å; L3116-E3144 PolarHBondContact N-O 3.14Å; L3116-L3145 HydrophobicContact CB-CD2 3.92Å; L3116-L3145 HydrophobicContact CD1-CD2 4.11Å; L3116-L3145 HydrophobicContact CG-CD2 4.36Å; L3116-L3145 CarbonylContact O-C 3.5Å; L3116-L3145 WeakPolarHBondContact O-CA 3.29Å; L3116-T3146 PolarHBondContact O-N 3.08Å |
| 3117 | A | 98.2 | Very high | 95.3 | Very high | 10 Ų | 10 | 42.4 Ų | 42.4 | 8% | 0.083 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 139.6 | 168 | 0 | 0 | 0 | 0 | 0 | 109.9 | I3090 K3091 L3092 T3146 L3148 | I3090-A3117 PolarHBondContact O-N 2.81Å; K3091-A3117 CarbonylContact C-O 3.52Å; K3091-A3117 VanDerWaalsContact CA-O 3.3Å; K3091-A3117 WeakPolarHBondContact CA-O 3.32Å; K3091-A3117 HydrophobicContact CB-CB 4.35Å; K3091-A3117 HydrophobicContact CG-CB 3.99Å; L3092-A3117 PolarHBondContact N-O 3.02Å; A3117-T3146 CarbonylContact C-O 3.56Å; A3117-T3146 WeakPolarHBondContact CA-O 3.25Å; A3117-L3148 HydrophobicContact CB-CD1 3.79Å; A3117-L3148 HydrophobicContact CB-CD2 4.23Å; A3117-L3148 HydrophobicContact CB-CG 4Å |
| 3118 | F | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 155.2 | 179.3 | 51.3 | -89.8 | 0 | 0 | 0 | 111.8 | L3092 I3095 L3116 M3121 L3145 T3146 L3147 L3148 I3168 | L3092-F3118 HydrophobicContact CB-CB 4.32Å; L3092-F3118 VanDerWaalsContact O-CA 3.27Å; L3092-F3118 WeakPolarHBondContact O-CA 3.36Å; I3095-F3118 HydrophobicContact CD1-CB 4.03Å; I3095-F3118 HydrophobicContact CD1-CD1 3.55Å; I3095-F3118 HydrophobicContact CD1-CE1 4.16Å; I3095-F3118 HydrophobicContact CD1-CG 3.78Å; I3095-F3118 HydrophobicContact CG1-CB 4.29Å; I3095-F3118 HydrophobicContact CG1-CG 4.41Å; L3116-F3118 HydrophobicContact CB-CD1 4.44Å; F3118-M3121 HydrophobicContact CD2-CB 3.96Å; F3118-M3121 HydrophobicContact CE1-CE 3.89Å; F3118-M3121 HydrophobicContact CE2-CB 3.58Å; F3118-M3121 HydrophobicContact CE2-CE 4.33Å; F3118-M3121 HydrophobicContact CZ-CB 4.17Å; F3118-M3121 HydrophobicContact CZ-CE 3.76Å; F3118-L3145 HydrophobicContact CE1-CB 4.04Å; F3118-L3145 HydrophobicContact CE1-CD2 4.13Å; F3118-L3145 HydrophobicContact CE1-CG 4.47Å; F3118-L3145 HydrophobicContact CZ-CB 4.24Å; F3118-T3146 PolarHBondContact N-O 3.26Å; F3118-L3147 HydrophobicContact CE2-CD1 3.93Å; F3118-L3147 HydrophobicContact CE2-CG 3.92Å; F3118-L3147 HydrophobicContact CZ-CD1 3.81Å; F3118-L3147 HydrophobicContact CZ-CG 4.32Å; F3118-L3147 CarbonylContact O-C 3.53Å; F3118-L3147 WeakPolarHBondContact O-CA 3.33Å; F3118-L3148 PolarHBondContact O-N 2.88Å; F3118-I3168 HydrophobicContact CE2-CD1 4.34Å; F3118-I3168 HydrophobicContact CE2-CG1 3.91Å; F3118-I3168 HydrophobicContact CZ-CD1 4.09Å; F3118-I3168 HydrophobicContact CZ-CG1 4.16Å |
| 3119 | K | 96.1 | Very high | 95.9 | Very high | 71.6 Ų | 71.6 | 34.3 Ų | 34.3 | 31% | 0.311 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | -43.3 | 173.8 | -63.8 | -169.1 | 174.9 | -161.4 | 0 | 111.9 | N3093 L3148 D3153 K3166 S3167 | N3093-K3119 WeakPolarHBondContact O-CA 3.44Å; N3093-K3119 WeakPolarHBondContact O-CB 3.4Å; N3093-K3119 PolarHBondContact O-N 2.95Å; K3119-L3148 WeakPolarHBondContact CA-O 3.22Å; K3119-L3148 HydrophobicContact CG-CB 4.32Å; K3119-D3153 WeakPolarHBondContact CE-OD2 3.44Å; K3119-D3153 IonicContact NZ-OD1 3.39Å; K3119-D3153 PolarHBondContact NZ-OD1 2.99Å; K3119-D3153 IonicContact NZ-OD2 3.7Å; K3119-D3153 PolarHBondContact NZ-OD2 3.33Å; K3119-K3166 VanDerWaalsContact O-CA 3.3Å; K3119-K3166 WeakPolarHBondContact O-CA 3.31Å; K3119-K3166 PolarHBondContact O-N 3.09Å; K3119-S3167 PolarHBondContact O-N 3.1Å |
| 3120 | Q | 96.4 | Very high | 96.1 | Very high | 4.2 Ų | 4.2 | 25.2 Ų | 25.2 | 2% | 0.02 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 139.7 | -179.8 | -164.3 | 177.2 | 41.5 | 0 | 0 | 112.3 | N3093 N3094 I3095 L3122 I3156 I3163 G3164 S3167 | N3093-Q3120 PolarHBondContact O-N 3Å; N3094-Q3120 CarbonylContact C-O 3.51Å; N3094-Q3120 VanDerWaalsContact CA-O 3.29Å; N3094-Q3120 WeakPolarHBondContact CA-O 3.36Å; I3095-Q3120 PolarHBondContact N-O 3.14Å; Q3120-L3122 HydrophobicContact CG-CD2 4.25Å; Q3120-L3122 HydrophobicContact CG-CG 4.26Å; Q3120-I3156 PolarHBondContact NE2-O 3.01Å; Q3120-I3163 VanDerWaalsContact NE2-CG2 3.33Å; Q3120-G3164 PolarHBondContact NE2-O 3.49Å; Q3120-S3167 WeakPolarHBondContact CA-O 3.35Å; Q3120-S3167 PolarHBondContact NE2-OG 2.96Å |
| 3121 | M | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 132.2 | 166.3 | 178.3 | -173.2 | -69.1 | 0 | 0 | 109.6 | I3095 I3097 F3118 I3123 F3128 S3167 I3168 G3169 | I3095-M3121 HydrophobicContact CB-CB 4.2Å; I3095-M3121 HydrophobicContact CB-CE 4.4Å; I3095-M3121 HydrophobicContact CB-CG 4.05Å; I3095-M3121 HydrophobicContact CD1-CE 3.75Å; I3095-M3121 HydrophobicContact CG2-CE 4.23Å; I3095-M3121 HydrophobicContact CG2-CG 4.12Å; I3095-M3121 CarbonylContact O-C 3.55Å; I3095-M3121 VanDerWaalsContact O-CA 3.23Å; I3095-M3121 WeakPolarHBondContact O-CA 3.35Å; I3097-M3121 HydrophobicContact CD1-CG 4.43Å; I3097-M3121 HydrophobicContact CD1-SD 4.34Å; F3118-M3121 HydrophobicContact CD2-CB 3.96Å; F3118-M3121 HydrophobicContact CE1-CE 3.89Å; F3118-M3121 HydrophobicContact CE2-CB 3.58Å; F3118-M3121 HydrophobicContact CE2-CE 4.33Å; F3118-M3121 HydrophobicContact CZ-CB 4.17Å; F3118-M3121 HydrophobicContact CZ-CE 3.76Å; M3121-I3123 HydrophobicContact CG-CG1 4.5Å; M3121-I3123 HydrophobicContact SD-CG1 4.49Å; M3121-F3128 HydrophobicContact CE-CD2 4.25Å; M3121-F3128 HydrophobicContact CE-CE2 4.03Å; M3121-F3128 HydrophobicContact CE-CZ 4.36Å; M3121-F3128 HydrophobicContact SD-CD2 4.27Å; M3121-F3128 HydrophobicContact SD-CE2 4.49Å; M3121-F3128 HydrophobicContact SD-CG 4.32Å; M3121-S3167 PolarHBondContact N-O 2.97Å; M3121-I3168 HydrophobicContact CB-CB 4.48Å; M3121-I3168 HydrophobicContact CB-CG1 4.13Å; M3121-I3168 HydrophobicContact CB-CG2 4.2Å; M3121-I3168 HydrophobicContact CG-CG2 4.27Å; M3121-I3168 CarbonylContact O-C 3.53Å; M3121-I3168 VanDerWaalsContact O-CA 3.27Å; M3121-I3168 WeakPolarHBondContact O-CA 3.32Å; M3121-I3168 HydrophobicContact SD-CD1 4.47Å; M3121-I3168 HydrophobicContact SD-CG2 4.1Å; M3121-G3169 PolarHBondContact O-N 3.31Å |
| 3122 | L | 97.6 | Very high | 96.1 | Very high | 2 Ų | 2 | 18.1 Ų | 18.1 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 120.3 | 176.1 | -64.7 | -177.2 | 0 | 0 | 0 | 110.3 | I3095 T3096 I3097 Q3120 I3124 I3156 I3163 G3169 | I3095-L3122 PolarHBondContact O-N 2.81Å; T3096-L3122 CarbonylContact C-O 3.54Å; T3096-L3122 WeakPolarHBondContact CA-O 3.27Å; I3097-L3122 PolarHBondContact N-O 3.22Å; Q3120-L3122 HydrophobicContact CG-CD2 4.25Å; Q3120-L3122 HydrophobicContact CG-CG 4.26Å; L3122-I3124 HydrophobicContact CB-CD1 4.2Å; L3122-I3124 HydrophobicContact CB-CG1 4.09Å; L3122-I3124 HydrophobicContact CD1-CD1 4.41Å; L3122-I3156 HydrophobicContact CD1-CB 3.64Å; L3122-I3156 HydrophobicContact CD1-CD1 4.12Å; L3122-I3156 HydrophobicContact CD1-CG1 4.43Å; L3122-I3156 HydrophobicContact CD1-CG2 3.53Å; L3122-I3156 VanDerWaalsContact CD1-CG2 3.48Å; L3122-I3163 HydrophobicContact CD2-CD1 3.74Å; L3122-I3163 HydrophobicContact CD2-CG2 4.17Å; L3122-G3169 WeakPolarHBondContact CA-O 3.39Å |
| 3123 | I | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 105 | 173.5 | -54.5 | 169.1 | 0 | 0 | 0 | 106.7 | I3097 M3121 G3126 F3128 G3169 V3170 Y3171 G3172 M3174 | I3097-I3123 HydrophobicContact CD1-CG1 4.15Å; M3121-I3123 HydrophobicContact CG-CG1 4.5Å; M3121-I3123 HydrophobicContact SD-CG1 4.49Å; I3123-G3126 VanDerWaalsContact CG2-C 3.46Å; I3123-G3126 WeakPolarHBondContact CG2-O 3.34Å; I3123-F3128 HydrophobicContact CD1-CB 3.52Å; I3123-F3128 VanDerWaalsContact CD1-CB 3.49Å; I3123-F3128 HydrophobicContact CG1-CB 4.22Å; I3123-G3169 PolarHBondContact N-O 2.99Å; I3123-V3170 HydrophobicContact CD1-CG1 4.41Å; I3123-V3170 HydrophobicContact CD1-CG2 4.31Å; I3123-Y3171 CarbonylContact O-C 3.52Å; I3123-Y3171 VanDerWaalsContact O-CA 3.23Å; I3123-Y3171 WeakPolarHBondContact O-CA 3.3Å; I3123-Y3171 WeakPolarHBondContact O-CB 3.28Å; I3123-Y3171 PolarHBondContact O-N 2.87Å; I3123-G3172 PolarHBondContact O-N 2.98Å; I3123-M3174 HydrophobicContact CD1-CB 3.78Å; I3123-M3174 HydrophobicContact CD1-CG 4.09Å; I3123-M3174 HydrophobicContact CD1-SD 4.29Å |
| 3124 | I | 94.8 | Very high | 95.5 | Very high | 6.6 Ų | 6.6 | 18.4 Ų | 18.4 | 3% | 0.034 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 93.3 | -172.3 | -52.8 | 176 | 0 | 0 | 0 | 108.4 | T3096 I3097 Y3098 L3122 G3126 L3158 Y3300 L3305 | T3096-I3124 HydrophobicContact CG2-CD1 4.05Å; I3097-I3124 PolarHBondContact O-N 3.12Å; Y3098-I3124 WeakPolarHBondContact CA-O 3.41Å; Y3098-I3124 HydrophobicContact CD1-CB 3.85Å; Y3098-I3124 HydrophobicContact CD1-CG2 4.12Å; Y3098-I3124 HydrophobicContact CE1-CB 3.76Å; Y3098-I3124 HydrophobicContact CE1-CD1 3.84Å; Y3098-I3124 HydrophobicContact CE1-CG1 4.35Å; Y3098-I3124 HydrophobicContact CE1-CG2 3.87Å; L3122-I3124 HydrophobicContact CB-CD1 4.2Å; L3122-I3124 HydrophobicContact CB-CG1 4.09Å; L3122-I3124 HydrophobicContact CD1-CD1 4.41Å; I3124-G3126 PolarHBondContact O-N 2.88Å; I3124-L3158 HydrophobicContact CD1-CD1 3.81Å; I3124-L3158 HydrophobicContact CD1-CD2 4.26Å; I3124-L3158 HydrophobicContact CG1-CD1 3.94Å; I3124-Y3300 HydrophobicContact CD1-CE2 4.4Å; I3124-Y3300 HydrophobicContact CG2-CD1 3.81Å; I3124-Y3300 HydrophobicContact CG2-CD2 3.8Å; I3124-Y3300 HydrophobicContact CG2-CE1 4.02Å; I3124-Y3300 HydrophobicContact CG2-CE2 4Å; I3124-Y3300 HydrophobicContact CG2-CG 3.69Å; I3124-L3305 HydrophobicContact CG2-CD1 3.61Å |
| 3125 | G | 91.2 | Very high | 95.2 | Very high | 34.8 Ų | 34.8 | 26.3 Ų | 26.3 | 36% | 0.359 | 14% | 0.139 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 68.5 | -5.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y3171 | G3125-Y3171 PolarHBondContact N-O 2.91Å |
| 3126 | G | 94.3 | Very high | 95 | Very high | 2.8 Ų | 2.8 | 28.5 Ų | 28.5 | 3% | 0.029 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -165.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | G3099 I3123 I3124 G3172 I3173 | G3099-G3126 CarbonylContact O-C 3.55Å; G3099-G3126 WeakPolarHBondContact O-CA 3.31Å; I3123-G3126 VanDerWaalsContact CG2-C 3.46Å; I3123-G3126 WeakPolarHBondContact CG2-O 3.34Å; I3124-G3126 PolarHBondContact O-N 2.88Å; G3126-G3172 WeakPolarHBondContact O-CA 3.31Å; G3126-I3173 PolarHBondContact O-N 3.1Å |
| 3127 | Q | 95.7 | Very high | 94.9 | Very high | 11.8 Ų | 11.8 | 29.2 Ų | 29.2 | 6% | 0.055 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 134.7 | -178.3 | -50.9 | -177.2 | 29.4 | 0 | 0 | 112.4 | V3042 L3043 D3044 I3097 G3099 T3100 L3101 L3129 I3173 | V3042-Q3127 PolarHBondContact O-NE2 3.39Å; L3043-Q3127 HydrophobicContact CD2-CG 4.02Å; L3043-Q3127 VanDerWaalsContact CD2-NE2 3.29Å; D3044-Q3127 PolarHBondContact O-NE2 3.14Å; D3044-Q3127 PolarHBondContact O-OE1 3.32Å; I3097-Q3127 WeakPolarHBondContact CG2-O 3.35Å; G3099-Q3127 PolarHBondContact O-N 3.1Å; T3100-Q3127 CarbonylContact C-O 3.57Å; T3100-Q3127 VanDerWaalsContact CA-O 3.31Å; T3100-Q3127 WeakPolarHBondContact CA-O 3.38Å; T3100-Q3127 HydrophobicContact CG2-CB 4.05Å; L3101-Q3127 PolarHBondContact N-O 3.14Å; Q3127-L3129 HydrophobicContact CB-CD2 4.13Å; Q3127-L3129 HydrophobicContact CB-CG 4.2Å; Q3127-I3173 CarbonylContact C-O 3.53Å; Q3127-I3173 VanDerWaalsContact CA-O 3.24Å; Q3127-I3173 WeakPolarHBondContact CA-O 3.33Å; Q3127-I3173 HydrophobicContact CB-CB 4.48Å; Q3127-I3173 HydrophobicContact CG-CB 4.2Å; Q3127-I3173 HydrophobicContact CG-CD1 4.48Å |
| 3128 | F | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.1 | 164.5 | -177.1 | -100.8 | 0 | 0 | 0 | 109 | I3097 L3101 I3103 M3121 I3123 A3130 L3143 L3145 I3173 M3174 S3175 M3176 | I3097-F3128 HydrophobicContact CD1-CB 4.05Å; I3097-F3128 HydrophobicContact CD1-CD2 3.84Å; I3097-F3128 HydrophobicContact CD1-CG 4.39Å; L3101-F3128 HydrophobicContact CB-CD2 4.11Å; L3101-F3128 HydrophobicContact CD2-CD2 3.88Å; L3101-F3128 HydrophobicContact CD2-CE2 3.82Å; L3101-F3128 HydrophobicContact CG-CD2 4.02Å; L3101-F3128 HydrophobicContact CG-CE2 4.08Å; L3101-F3128 WeakPolarHBondContact O-CA 3.35Å; I3103-F3128 HydrophobicContact CD1-CE2 4.08Å; I3103-F3128 HydrophobicContact CD1-CZ 4.09Å; I3103-F3128 HydrophobicContact CG1-CE2 4.2Å; I3103-F3128 HydrophobicContact CG1-CZ 3.88Å; M3121-F3128 HydrophobicContact CE-CD2 4.25Å; M3121-F3128 HydrophobicContact CE-CE2 4.03Å; M3121-F3128 HydrophobicContact CE-CZ 4.36Å; M3121-F3128 HydrophobicContact SD-CD2 4.27Å; M3121-F3128 HydrophobicContact SD-CE2 4.49Å; M3121-F3128 HydrophobicContact SD-CG 4.32Å; I3123-F3128 HydrophobicContact CD1-CB 3.52Å; I3123-F3128 VanDerWaalsContact CD1-CB 3.49Å; I3123-F3128 HydrophobicContact CG1-CB 4.22Å; F3128-A3130 HydrophobicContact CE1-CB 4.4Å; F3128-L3143 HydrophobicContact CE1-CD2 4.49Å; F3128-L3143 HydrophobicContact CZ-CD2 4.4Å; F3128-L3145 HydrophobicContact CE1-CD1 4.06Å; F3128-L3145 HydrophobicContact CZ-CD1 4.19Å; F3128-L3145 HydrophobicContact CZ-CD2 4.4Å; F3128-I3173 PolarHBondContact N-O 3.03Å; F3128-M3174 HydrophobicContact CB-CG 4.45Å; F3128-M3174 HydrophobicContact CD1-CE 4.13Å; F3128-M3174 HydrophobicContact CD1-CG 4.18Å; F3128-M3174 HydrophobicContact CE1-CE 4.34Å; F3128-S3175 PolarHBondContact O-N 2.86Å; F3128-M3176 HydrophobicContact CD1-CG 4.16Å; F3128-M3176 HydrophobicContact CD1-SD 3.96Å; F3128-M3176 HydrophobicContact CE1-CE 4.14Å; F3128-M3176 HydrophobicContact CE1-CG 4.14Å; F3128-M3176 HydrophobicContact CE1-SD 3.69Å |
| 3129 | L | 97.1 | Very high | 94.7 | Very high | 0.4 Ų | 0.4 | 31.6 Ų | 31.6 | 0% | 0.002 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 124.4 | -172.1 | -54.4 | -179.2 | 0 | 0 | 0 | 110.4 | L3043 T3045 W3081 T3100 L3101 E3102 I3103 Q3127 S3175 | L3043-L3129 HydrophobicContact CD1-CD2 3.93Å; T3045-L3129 HydrophobicContact CG2-CD2 4.3Å; W3081-L3129 HydrophobicContact CH2-CD1 3.79Å; W3081-L3129 HydrophobicContact CZ2-CD1 3.58Å; T3100-L3129 HydrophobicContact CG2-CD1 3.61Å; T3100-L3129 HydrophobicContact CG2-CG 3.99Å; L3101-L3129 PolarHBondContact O-N 3.18Å; E3102-L3129 CarbonylContact C-O 3.49Å; E3102-L3129 WeakPolarHBondContact CA-O 3.35Å; E3102-L3129 HydrophobicContact CB-CB 4.36Å; E3102-L3129 HydrophobicContact CG-CB 4.24Å; I3103-L3129 PolarHBondContact N-O 3.03Å; Q3127-L3129 HydrophobicContact CB-CD2 4.13Å; Q3127-L3129 HydrophobicContact CB-CG 4.2Å; L3129-S3175 CarbonylContact C-O 3.54Å; L3129-S3175 WeakPolarHBondContact CA-O 3.23Å |
| 3130 | A | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 94.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | I3103 F3128 L3143 S3175 M3176 H3177 I3276 | I3103-A3130 HydrophobicContact CB-CB 3.88Å; I3103-A3130 HydrophobicContact CG1-CB 3.86Å; F3128-A3130 HydrophobicContact CE1-CB 4.4Å; A3130-L3143 HydrophobicContact CB-CD2 3.62Å; A3130-S3175 PolarHBondContact N-O 2.98Å; A3130-M3176 HydrophobicContact CB-CB 4.39Å; A3130-M3176 HydrophobicContact CB-CE 4.31Å; A3130-M3176 HydrophobicContact CB-CG 4.05Å; A3130-M3176 CarbonylContact O-C 3.47Å; A3130-M3176 VanDerWaalsContact O-CA 3.25Å; A3130-M3176 WeakPolarHBondContact O-CA 3.35Å; A3130-H3177 PolarHBondContact O-N 3.08Å; A3130-I3276 HydrophobicContact CB-CD1 4.29Å |
| 3131 | G | 94.1 | Very high | 94.7 | Very high | 5.4 Ų | 5.4 | 30.8 Ų | 30.8 | 6% | 0.056 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 70 | 90.8 | -158 | 0 | 0 | 0 | 0 | 0 | 109.2 | L3133 K3136 H3177 | G3131-L3133 VanDerWaalsContact C-N 3.26Å; G3131-L3133 PolarHBondContact O-N 3.13Å; G3131-K3136 CarbonylContact C-O 3.41Å; G3131-K3136 WeakPolarHBondContact CA-O 3.17Å; G3131-H3177 WeakPolarHBondContact O-CB 3.42Å; G3131-H3177 PolarHBondContact O-N 3.02Å; G3131-H3177 PolarHBondContact O-ND1 3.02Å |
| 3132 | S | 88.5 | Confident | 94.7 | Very high | 14.8 Ų | 14.8 | 33.7 Ų | 33.7 | 10% | 0.103 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -66.5 | -25.8 | -162.6 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | K3136 S3175 | S3132-K3136 PolarHBondContact N-O 3.11Å; S3132-S3175 PolarHBondContact O-OG 3.06Å |
| 3133 | L | 91 | Very high | 94.7 | Very high | 54.4 Ų | 54.4 | 33.6 Ų | 33.6 | 29% | 0.285 | 19% | 0.185 | S | C | . | . | B | Isolated β-bridge | trans | -141.4 | 160.6 | -177.1 | -63.3 | 169 | 0 | 0 | 0 | 110 | L3043 T3045 G3131 E3135 K3136 | L3043-L3133 HydrophobicContact CD2-CD2 4.31Å; T3045-L3133 HydrophobicContact CG2-CD1 4.12Å; T3045-L3133 HydrophobicContact CG2-CD2 3.76Å; T3045-L3133 HydrophobicContact CG2-CG 3.9Å; G3131-L3133 VanDerWaalsContact C-N 3.26Å; G3131-L3133 PolarHBondContact O-N 3.13Å; L3133-E3135 HydrophobicContact CB-CG 4.26Å; L3133-E3135 WeakPolarHBondContact CB-OE1 3.18Å; L3133-E3135 VanDerWaalsContact CD1-OE1 3.26Å; L3133-E3135 WeakPolarHBondContact CD1-OE1 3.27Å; L3133-E3135 PolarHBondContact O-N 3.04Å; L3133-E3135 VanDerWaalsContact O-N 3.17Å; L3133-K3136 HydrophobicContact CB-CB 4.39Å; L3133-K3136 HydrophobicContact CD1-CD 4.49Å; L3133-K3136 CarbonylContact O-C 3.53Å; L3133-K3136 WeakPolarHBondContact O-CA 3.3Å; L3133-K3136 PolarHBondContact O-N 2.97Å |
| 3134 | L | 90.2 | Very high | 94.8 | Very high | 80.2 Ų | 80.2 | 36 Ų | 36 | 42% | 0.42 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -39.6 | 172.4 | -99.8 | 136.8 | 0 | 0 | 0 | 112.5 | K3136 H3177 Y3347 K3349 | L3134-K3136 VanDerWaalsContact C-N 3.3Å; L3134-K3136 PolarHBondContact O-N 2.94Å; L3134-H3177 PolarHBondContact N-CD2 3.12Å; L3134-H3177 PolarHBondContact N-NE2 3.09Å; L3134-Y3347 HydrophobicContact CD1-CE1 4.47Å; L3134-Y3347 HydrophobicContact CD1-CE2 3.99Å; L3134-Y3347 HydrophobicContact CG-CE2 4.32Å; L3134-K3349 HydrophobicContact CD1-CD 4.47Å; L3134-K3349 HydrophobicContact CD2-CD 4.49Å |
| 3135 | E | 92.1 | Very high | 95 | Very high | 164.4 Ų | 164.4 | 35.7 Ų | 35.7 | 77% | 0.768 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -9.6 | 178.5 | -10.9 | -99.6 | -168.5 | 0 | 0 | 113.6 | L3133 P3137 | L3133-E3135 HydrophobicContact CB-CG 4.26Å; L3133-E3135 WeakPolarHBondContact CB-OE1 3.18Å; L3133-E3135 VanDerWaalsContact CD1-OE1 3.26Å; L3133-E3135 WeakPolarHBondContact CD1-OE1 3.27Å; L3133-E3135 PolarHBondContact O-N 3.04Å; L3133-E3135 VanDerWaalsContact O-N 3.17Å; E3135-P3137 VanDerWaalsContact C-CD 3.44Å |
| 3136 | K | 92.9 | Very high | 95.3 | Very high | 128 Ų | 128 | 35 Ų | 35 | 56% | 0.557 | 18% | 0.184 | S | C | * | . | B | Isolated β-bridge | trans | -130.1 | 63.2 | 179.4 | -64.5 | -177.9 | -177.2 | 177.2 | 0 | 110.3 | G3131 S3132 L3133 L3134 | G3131-K3136 CarbonylContact C-O 3.41Å; G3131-K3136 WeakPolarHBondContact CA-O 3.17Å; S3132-K3136 PolarHBondContact N-O 3.11Å; L3133-K3136 HydrophobicContact CB-CB 4.39Å; L3133-K3136 HydrophobicContact CD1-CD 4.49Å; L3133-K3136 CarbonylContact O-C 3.53Å; L3133-K3136 WeakPolarHBondContact O-CA 3.3Å; L3133-K3136 PolarHBondContact O-N 2.97Å; L3134-K3136 VanDerWaalsContact C-N 3.3Å; L3134-K3136 PolarHBondContact O-N 2.94Å |
| 3137 | P | 95.8 | Very high | 95.5 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 14% | 0.136 | 18% | 0.182 | C | C | . | . | trans | -68.4 | 163.9 | 179.3 | 30.1 | -34.4 | 0 | 0 | 0 | 111.7 | S3105 E3135 T3139 H3177 A3178 P3180 | S3105-P3137 PolarHBondContact OG-O 3.15Å; E3135-P3137 VanDerWaalsContact C-CD 3.44Å; P3137-T3139 HydrophobicContact CG-CG2 4.02Å; P3137-T3139 PolarHBondContact O-N 3.14Å; P3137-T3139 VanDerWaalsContact O-N 3.1Å; P3137-H3177 CarbonylContact C-O 3.53Å; P3137-H3177 VanDerWaalsContact CA-O 3.31Å; P3137-H3177 WeakPolarHBondContact CA-O 3.37Å; P3137-H3177 HydrophobicContact CB-CB 4.27Å; P3137-H3177 WeakPolarHBondContact CB-O 3.24Å; P3137-A3178 VanDerWaalsContact CB-O 3.26Å; P3137-A3178 WeakPolarHBondContact CB-O 3.23Å; P3137-P3180 HydrophobicContact CG-CG 4.47Å | ||
| 3138 | L | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -70.7 | 98.9 | 173 | -171.2 | 73.3 | 0 | 0 | 0 | 109.2 | I3103 D3104 S3105 A3141 L3143 H3177 V3179 N3275 I3276 | I3103-L3138 HydrophobicContact CB-CD1 4.46Å; I3103-L3138 HydrophobicContact CG2-CD1 4.06Å; I3103-L3138 HydrophobicContact CG2-CD2 4.34Å; D3104-L3138 WeakPolarHBondContact O-CD1 3.32Å; S3105-L3138 WeakPolarHBondContact OG-CA 3.38Å; L3138-A3141 HydrophobicContact CD1-CB 4.04Å; L3138-A3141 HydrophobicContact CD2-CB 4.15Å; L3138-A3141 HydrophobicContact CG-CB 3.92Å; L3138-L3143 HydrophobicContact CD2-CB 3.87Å; L3138-H3177 PolarHBondContact N-O 3.1Å; L3138-V3179 VanDerWaalsContact O-CG2 3.29Å; L3138-V3179 WeakPolarHBondContact O-CG2 3.32Å; L3138-N3275 PolarHBondContact O-ND2 3.34Å; L3138-I3276 HydrophobicContact CB-CD1 4.04Å; L3138-I3276 HydrophobicContact CD2-CD1 3.98Å; L3138-I3276 HydrophobicContact CD2-CG1 3.92Å | ||
| 3139 | T | 95 | Very high | 95.3 | Very high | 61.8 Ų | 61.8 | 37 Ų | 37 | 38% | 0.379 | 20% | 0.197 | S | C | . | . | trans | -100.2 | -174.9 | -173.8 | 52 | 0 | 0 | 0 | 0 | 112.9 | S3105 G3106 P3137 A3141 V3179 | S3105-T3139 WeakPolarHBondContact CA-O 3.24Å; S3105-T3139 VanDerWaalsContact CB-O 3.32Å; S3105-T3139 WeakPolarHBondContact CB-O 3.13Å; S3105-T3139 PolarHBondContact OG-N 2.99Å; S3105-T3139 VanDerWaalsContact OG-N 3.09Å; S3105-T3139 PolarHBondContact OG-OG1 3.11Å; G3106-T3139 PolarHBondContact N-O 2.94Å; G3106-T3139 VanDerWaalsContact N-O 3.15Å; P3137-T3139 HydrophobicContact CG-CG2 4.02Å; P3137-T3139 PolarHBondContact O-N 3.14Å; P3137-T3139 VanDerWaalsContact O-N 3.1Å; T3139-A3141 WeakPolarHBondContact O-CB 3.4Å; T3139-A3141 PolarHBondContact O-N 2.94Å; T3139-V3179 HydrophobicContact CG2-CG2 4.43Å | ||
| 3140 | N | 96.3 | Very high | 95 | Very high | 51.8 Ų | 51.8 | 40.2 Ų | 40.2 | 28% | 0.277 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 24.7 | 30.1 | -178.9 | -62.4 | 111 | 0 | 0 | 0 | 113.2 | S3105 G3106 T3107 S3108 Q3111 R3112 | S3105-N3140 CarbonylContact O-C 3.53Å; S3105-N3140 WeakPolarHBondContact O-CA 3.43Å; S3105-N3140 WeakPolarHBondContact O-CB 3.22Å; S3105-N3140 PolarHBondContact O-N 2.93Å; G3106-N3140 VanDerWaalsContact C-CB 3.41Å; G3106-N3140 WeakPolarHBondContact CA-O 3.35Å; T3107-N3140 VanDerWaalsContact C-ND2 3.33Å; T3107-N3140 WeakPolarHBondContact O-CB 3.42Å; T3107-N3140 PolarHBondContact O-ND2 2.8Å; S3108-N3140 WeakPolarHBondContact CA-ND2 3.49Å; S3108-N3140 PolarHBondContact N-ND2 2.83Å; S3108-N3140 PolarHBondContact N-OD1 2.98Å; Q3111-N3140 CarbonylContact C-O 3.49Å; Q3111-N3140 VanDerWaalsContact CA-O 3.31Å; Q3111-N3140 WeakPolarHBondContact CA-O 3.3Å; Q3111-N3140 PolarHBondContact NE2-ND2 2.9Å; Q3111-N3140 VanDerWaalsContact OE1-C 3.3Å; Q3111-N3140 VanDerWaalsContact OE1-CA 3.24Å; Q3111-N3140 PolarHBondContact OE1-ND2 3.16Å; Q3111-N3140 PolarHBondContact OE1-O 2.94Å; R3112-N3140 PolarHBondContact N-O 2.93Å |
| 3141 | A | 96.9 | Very high | 94.4 | Very high | 6.4 Ų | 6.4 | 44.7 Ų | 44.7 | 5% | 0.053 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 150.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S3105 R3112 Y3114 L3138 T3139 N3275 | S3105-A3141 PolarHBondContact O-N 2.82Å; R3112-A3141 HydrophobicContact CB-CB 3.79Å; R3112-A3141 CarbonylContact O-C 3.53Å; R3112-A3141 VanDerWaalsContact O-CA 3.22Å; R3112-A3141 WeakPolarHBondContact O-CA 3.25Å; R3112-A3141 WeakPolarHBondContact O-CB 3.38Å; Y3114-A3141 HydrophobicContact CD2-CB 4.18Å; Y3114-A3141 HydrophobicContact CE2-CB 3.7Å; L3138-A3141 HydrophobicContact CD1-CB 4.04Å; L3138-A3141 HydrophobicContact CD2-CB 4.15Å; L3138-A3141 HydrophobicContact CG-CB 3.92Å; T3139-A3141 WeakPolarHBondContact O-CB 3.4Å; T3139-A3141 PolarHBondContact O-N 2.94Å; A3141-N3275 PolarHBondContact O-ND2 2.87Å |
| 3142 | T | 97.7 | Very high | 93.8 | Very high | 60.6 Ų | 60.6 | 49.3 Ų | 49.3 | 37% | 0.372 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.6 | 168.2 | 57.2 | 0 | 0 | 0 | 0 | 109.9 | R3112 Y3114 N3275 | R3112-T3142 PolarHBondContact O-N 2.88Å; R3112-T3142 PolarHBondContact O-OG1 2.87Å; Y3114-T3142 WeakPolarHBondContact CB-O 3.49Å; Y3114-T3142 WeakPolarHBondContact CD2-O 3.33Å; Y3114-T3142 PolarHBondContact N-O 3Å; T3142-N3275 CarbonylContact C-O 3.5Å; T3142-N3275 VanDerWaalsContact CA-O 3.31Å; T3142-N3275 WeakPolarHBondContact CA-O 3.21Å; T3142-N3275 HydrophobicContact CG2-CB 4.24Å |
| 3143 | L | 98.4 | Very high | 93.7 | Very high | 1.4 Ų | 1.4 | 50.2 Ų | 50.2 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 119 | 178.7 | 177.6 | 63.7 | 0 | 0 | 0 | 110.3 | I3103 Y3114 L3116 F3128 A3130 L3138 L3145 M3176 N3275 I3276 I3277 | I3103-L3143 HydrophobicContact CB-CD2 4.49Å; I3103-L3143 HydrophobicContact CD1-CD1 4.41Å; I3103-L3143 HydrophobicContact CG1-CD1 4.43Å; I3103-L3143 HydrophobicContact CG1-CD2 4.03Å; I3103-L3143 HydrophobicContact CG2-CD1 4.38Å; I3103-L3143 HydrophobicContact CG2-CD2 4.42Å; Y3114-L3143 HydrophobicContact CG-CD1 4.44Å; Y3114-L3143 CarbonylContact O-C 3.54Å; Y3114-L3143 WeakPolarHBondContact O-CA 3.24Å; L3116-L3143 HydrophobicContact CD1-CD1 3.92Å; F3128-L3143 HydrophobicContact CE1-CD2 4.49Å; F3128-L3143 HydrophobicContact CZ-CD2 4.4Å; A3130-L3143 HydrophobicContact CB-CD2 3.62Å; L3138-L3143 HydrophobicContact CD2-CB 3.87Å; L3143-L3145 HydrophobicContact CD1-CD2 3.71Å; L3143-L3145 HydrophobicContact CD1-CG 4.44Å; L3143-L3145 HydrophobicContact CD2-CD2 4.39Å; L3143-L3145 HydrophobicContact CD2-CG 4.46Å; L3143-L3145 HydrophobicContact CG-CD2 4.06Å; L3143-L3145 HydrophobicContact CG-CG 4.26Å; L3143-M3176 HydrophobicContact CD2-CE 3.95Å; L3143-N3275 PolarHBondContact N-O 3.34Å; L3143-I3276 HydrophobicContact CB-CG1 4.28Å; L3143-I3276 HydrophobicContact CB-CG2 4.46Å; L3143-I3276 HydrophobicContact CD2-CG2 4.23Å; L3143-I3276 HydrophobicContact CG-CG2 4.47Å; L3143-I3276 CarbonylContact O-C 3.46Å; L3143-I3276 VanDerWaalsContact O-CA 3.31Å; L3143-I3276 WeakPolarHBondContact O-CA 3.38Å; L3143-I3277 PolarHBondContact O-N 3.24Å |
| 3144 | E | 98.3 | Very high | 93.4 | Very high | 49.6 Ų | 49.6 | 56.6 Ų | 56.6 | 23% | 0.232 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 112.4 | 174.9 | -134.9 | -179.7 | 171.1 | 0 | 0 | 108.8 | Y3114 K3115 L3116 T3146 I3277 Q3279 | Y3114-E3144 PolarHBondContact O-N 3.12Å; K3115-E3144 WeakPolarHBondContact CD-OE2 3.12Å; K3115-E3144 VanDerWaalsContact CE-OE2 3.27Å; K3115-E3144 WeakPolarHBondContact CE-OE2 3.25Å; K3115-E3144 HydrophobicContact CG-CB 4.33Å; K3115-E3144 VanDerWaalsContact NZ-CD 3.25Å; K3115-E3144 IonicContact NZ-OE1 3.25Å; K3115-E3144 PolarHBondContact NZ-OE1 3.21Å; K3115-E3144 IonicContact NZ-OE2 3.05Å; K3115-E3144 PolarHBondContact NZ-OE2 3.14Å; L3116-E3144 PolarHBondContact N-O 3.14Å; E3144-T3146 PolarHBondContact OE1-OG1 3.1Å; E3144-I3277 CarbonylContact C-O 3.48Å; E3144-I3277 WeakPolarHBondContact CA-O 3.33Å; E3144-Q3279 PolarHBondContact OE1-NE2 3.02Å |
| 3145 | L | 98.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 108.8 | 172.1 | -56 | -172.9 | 0 | 0 | 0 | 108.9 | L3116 F3118 F3128 L3143 M3174 M3176 I3277 I3278 Q3279 | L3116-L3145 HydrophobicContact CB-CD2 3.92Å; L3116-L3145 HydrophobicContact CD1-CD2 4.11Å; L3116-L3145 HydrophobicContact CG-CD2 4.36Å; L3116-L3145 CarbonylContact O-C 3.5Å; L3116-L3145 WeakPolarHBondContact O-CA 3.29Å; F3118-L3145 HydrophobicContact CE1-CB 4.04Å; F3118-L3145 HydrophobicContact CE1-CD2 4.13Å; F3118-L3145 HydrophobicContact CE1-CG 4.47Å; F3118-L3145 HydrophobicContact CZ-CB 4.24Å; F3128-L3145 HydrophobicContact CE1-CD1 4.06Å; F3128-L3145 HydrophobicContact CZ-CD1 4.19Å; F3128-L3145 HydrophobicContact CZ-CD2 4.4Å; L3143-L3145 HydrophobicContact CD1-CD2 3.71Å; L3143-L3145 HydrophobicContact CD1-CG 4.44Å; L3143-L3145 HydrophobicContact CD2-CD2 4.39Å; L3143-L3145 HydrophobicContact CD2-CG 4.46Å; L3143-L3145 HydrophobicContact CG-CD2 4.06Å; L3143-L3145 HydrophobicContact CG-CG 4.26Å; L3145-M3174 HydrophobicContact CD1-CE 4.38Å; L3145-M3176 HydrophobicContact CD1-CE 4Å; L3145-M3176 HydrophobicContact CD1-SD 4.41Å; L3145-M3176 HydrophobicContact CG-CE 4.49Å; L3145-I3277 PolarHBondContact N-O 3.15Å; L3145-I3278 HydrophobicContact CB-CG1 4.31Å; L3145-I3278 HydrophobicContact CB-CG2 4.42Å; L3145-I3278 HydrophobicContact CD1-CD1 4.31Å; L3145-I3278 HydrophobicContact CD1-CG1 4.21Å; L3145-I3278 HydrophobicContact CG-CG1 4.49Å; L3145-I3278 WeakPolarHBondContact O-CA 3.32Å; L3145-Q3279 PolarHBondContact O-N 2.97Å |
| 3146 | T | 98.5 | Very high | 93.1 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 13% | 0.129 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 111.5 | 179.6 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | L3116 A3117 F3118 E3144 L3148 Q3279 D3281 | L3116-T3146 PolarHBondContact O-N 3.08Å; A3117-T3146 CarbonylContact C-O 3.56Å; A3117-T3146 WeakPolarHBondContact CA-O 3.25Å; F3118-T3146 PolarHBondContact N-O 3.26Å; E3144-T3146 PolarHBondContact OE1-OG1 3.1Å; T3146-L3148 HydrophobicContact CG2-CD2 4.02Å; T3146-L3148 PolarHBondContact O-N 2.9Å; T3146-Q3279 CarbonylContact C-O 3.28Å; T3146-Q3279 WeakPolarHBondContact CA-O 3.37Å; T3146-Q3279 HydrophobicContact CG2-CG 4.32Å; T3146-Q3279 PolarHBondContact OG1-NE2 2.99Å; T3146-D3281 HydrophobicContact CG2-CB 4.43Å |
| 3147 | L | 98.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 123.9 | 177.1 | -77.9 | 67.9 | 0 | 0 | 0 | 109.3 | F3118 K3166 I3168 I3278 Q3279 D3281 M3319 | F3118-L3147 HydrophobicContact CE2-CD1 3.93Å; F3118-L3147 HydrophobicContact CE2-CG 3.92Å; F3118-L3147 HydrophobicContact CZ-CD1 3.81Å; F3118-L3147 HydrophobicContact CZ-CG 4.32Å; F3118-L3147 CarbonylContact O-C 3.53Å; F3118-L3147 WeakPolarHBondContact O-CA 3.33Å; L3147-K3166 HydrophobicContact CB-CG 3.82Å; L3147-K3166 WeakPolarHBondContact O-CE 3.22Å; L3147-I3168 HydrophobicContact CD1-CD1 4.15Å; L3147-I3168 HydrophobicContact CD1-CG1 4.4Å; L3147-I3168 HydrophobicContact CD2-CD1 4.21Å; L3147-I3168 HydrophobicContact CD2-CG1 4.13Å; L3147-I3278 HydrophobicContact CD1-CG2 3.89Å; L3147-Q3279 PolarHBondContact N-O 3.14Å; L3147-D3281 PolarHBondContact O-N 3.15Å; L3147-M3319 HydrophobicContact CD2-CE 4.22Å |
| 3148 | L | 97 | Very high | 92.1 | Very high | 42.2 Ų | 42.2 | 48.6 Ų | 48.6 | 22% | 0.221 | 27% | 0.272 | C | S | . | . | trans | -103.8 | 145.5 | -178.2 | -56.8 | 179.5 | 0 | 0 | 0 | 110.6 | A3117 F3118 K3119 T3146 D3281 | A3117-L3148 HydrophobicContact CB-CD1 3.79Å; A3117-L3148 HydrophobicContact CB-CD2 4.23Å; A3117-L3148 HydrophobicContact CB-CG 4Å; F3118-L3148 PolarHBondContact O-N 2.88Å; K3119-L3148 WeakPolarHBondContact CA-O 3.22Å; K3119-L3148 HydrophobicContact CG-CB 4.32Å; T3146-L3148 HydrophobicContact CG2-CD2 4.02Å; T3146-L3148 PolarHBondContact O-N 2.9Å; L3148-D3281 HydrophobicContact CD2-CB 3.99Å | ||
| 3149 | G | 92.4 | Very high | 91.5 | Very high | 13.2 Ų | 13.2 | 50.6 Ų | 50.6 | 14% | 0.136 | 28% | 0.282 | C | S | . | . | trans | 136.8 | 179.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D3153 K3166 D3281 | G3149-D3153 WeakPolarHBondContact CA-OD2 3.32Å; G3149-K3166 WeakPolarHBondContact O-CD 3.35Å; G3149-K3166 PolarHBondContact O-NZ 2.92Å; G3149-D3281 PolarHBondContact N-OD2 3Å | ||
| 3150 | T | 90.6 | Very high | 90.9 | Very high | 68.2 Ų | 68.2 | 48.1 Ų | 48.1 | 42% | 0.418 | 27% | 0.269 | S | S | . | . | trans | -124.6 | 168.7 | -177.4 | 65.7 | 0 | 0 | 0 | 0 | 110.1 | S3152 D3153 P3165 F3289 | T3150-S3152 PolarHBondContact O-N 2.98Å; T3150-S3152 VanDerWaalsContact O-N 3.12Å; T3150-S3152 PolarHBondContact OG1-N 3.11Å; T3150-S3152 PolarHBondContact OG1-OG 2.9Å; T3150-S3152 VanDerWaalsContact OG1-OG 3.06Å; T3150-D3153 PolarHBondContact N-OD1 3.27Å; T3150-D3153 VanDerWaalsContact N-OD1 3.12Å; T3150-D3153 PolarHBondContact N-OD2 2.89Å; T3150-D3153 PolarHBondContact O-N 3.29Å; T3150-D3153 PolarHBondContact OG1-OD1 3.47Å; T3150-D3153 PolarHBondContact OG1-OD2 2.95Å; T3150-D3153 VanDerWaalsContact OG1-OD2 3.13Å; T3150-P3165 WeakPolarHBondContact O-CG 3.33Å; T3150-F3289 VanDerWaalsContact C-CE1 3.47Å | ||
| 3151 | I | 83.4 | Confident | 90.3 | Very high | 94.8 Ų | 94.8 | 45.8 Ų | 45.8 | 49% | 0.486 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -23.9 | 177.5 | -164.2 | 168.8 | 0 | 0 | 0 | 113.3 | F3289 F3324 | I3151-F3289 HydrophobicContact CB-CD2 4.29Å; I3151-F3289 HydrophobicContact CB-CE2 3.95Å; I3151-F3289 HydrophobicContact CB-CZ 4.21Å; I3151-F3289 HydrophobicContact CD1-CE2 4.47Å; I3151-F3289 HydrophobicContact CG1-CE2 4.05Å; I3151-F3289 HydrophobicContact CG1-CZ 4.47Å; I3151-F3324 HydrophobicContact CD1-CE2 3.74Å; I3151-F3324 HydrophobicContact CD1-CZ 3.81Å; I3151-F3324 HydrophobicContact CG1-CE2 4.16Å; I3151-F3324 HydrophobicContact CG1-CZ 4.11Å |
| 3152 | S | 81.1 | Confident | 89.7 | Confident | 101 Ų | 101 | 46.8 Ų | 46.8 | 71% | 0.706 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -4.5 | -177.8 | 51.5 | 0 | 0 | 0 | 0 | 114.8 | T3150 | T3150-S3152 PolarHBondContact O-N 2.98Å; T3150-S3152 VanDerWaalsContact O-N 3.12Å; T3150-S3152 PolarHBondContact OG1-N 3.11Å; T3150-S3152 PolarHBondContact OG1-OG 2.9Å; T3150-S3152 VanDerWaalsContact OG1-OG 3.06Å |
| 3153 | D | 87.1 | Confident | 89.4 | Confident | 33.8 Ų | 33.8 | 43.9 Ų | 43.9 | 18% | 0.181 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -66.6 | 140.8 | 178.9 | -82 | -45.5 | 0 | 0 | 0 | 111.2 | K3119 G3149 T3150 P3165 | K3119-D3153 WeakPolarHBondContact CE-OD2 3.44Å; K3119-D3153 IonicContact NZ-OD1 3.39Å; K3119-D3153 PolarHBondContact NZ-OD1 2.99Å; K3119-D3153 IonicContact NZ-OD2 3.7Å; K3119-D3153 PolarHBondContact NZ-OD2 3.33Å; G3149-D3153 WeakPolarHBondContact CA-OD2 3.32Å; T3150-D3153 PolarHBondContact N-OD1 3.27Å; T3150-D3153 VanDerWaalsContact N-OD1 3.12Å; T3150-D3153 PolarHBondContact N-OD2 2.89Å; T3150-D3153 PolarHBondContact O-N 3.29Å; T3150-D3153 PolarHBondContact OG1-OD1 3.47Å; T3150-D3153 PolarHBondContact OG1-OD2 2.95Å; T3150-D3153 VanDerWaalsContact OG1-OD2 3.13Å; D3153-P3165 HydrophobicContact CB-CB 3.94Å; D3153-P3165 WeakPolarHBondContact O-CB 3.42Å |
| 3154 | E | 84.4 | Confident | 88.9 | Confident | 188.4 Ų | 188.4 | 43.9 Ų | 43.9 | 88% | 0.88 | 24% | 0.243 | S | C | * | . | trans | -66.4 | 147.7 | 171.6 | -66.3 | -176.7 | 175 | 0 | 0 | 111.1 | ||||
| 3155 | F | 87.7 | Confident | 88.6 | Confident | 72.2 Ų | 72.2 | 41.7 Ų | 41.7 | 32% | 0.317 | 23% | 0.233 | S | C | . | . | trans | -141.6 | 151 | -179.6 | 62.6 | -88.7 | 0 | 0 | 0 | 111 | I2962 S3157 I3162 P3165 | I2962-F3155 HydrophobicContact CD1-CZ 4.3Å; F3155-S3157 PolarHBondContact O-N 3.26Å; F3155-I3162 HydrophobicContact CE2-CG2 4.33Å; F3155-I3162 HydrophobicContact CZ-CG2 4.26Å; F3155-P3165 HydrophobicContact CD1-CB 4.43Å; F3155-P3165 HydrophobicContact CD1-CG 4.37Å | ||
| 3156 | I | 88.1 | Confident | 88.4 | Confident | 64 Ų | 64 | 41.8 Ų | 41.8 | 33% | 0.328 | 23% | 0.234 | S | C | . | . | trans | -75.2 | 128.8 | 173.1 | -59.9 | 166.3 | 0 | 0 | 0 | 107.8 | N3094 Q3120 L3122 I3163 | N3094-I3156 HydrophobicContact CB-CD1 4.43Å; Q3120-I3156 PolarHBondContact NE2-O 3.01Å; L3122-I3156 HydrophobicContact CD1-CB 3.64Å; L3122-I3156 HydrophobicContact CD1-CD1 4.12Å; L3122-I3156 HydrophobicContact CD1-CG1 4.43Å; L3122-I3156 HydrophobicContact CD1-CG2 3.53Å; L3122-I3156 VanDerWaalsContact CD1-CG2 3.48Å; I3156-I3163 WeakPolarHBondContact O-CD1 3.25Å | ||
| 3157 | S | 81.7 | Confident | 88.3 | Confident | 62.8 Ų | 62.8 | 40.8 Ų | 40.8 | 44% | 0.439 | 23% | 0.228 | S | C | . | . | trans | -104.4 | 144.8 | 174.8 | -167.8 | 0 | 0 | 0 | 0 | 110.3 | K3026 F3155 | K3026-S3157 PolarHBondContact NZ-OG 3.45Å; K3026-S3157 VanDerWaalsContact NZ-OG 3.13Å; F3155-S3157 PolarHBondContact O-N 3.26Å | ||
| 3158 | L | 85.8 | Confident | 88.3 | Confident | 27.4 Ų | 27.4 | 40.8 Ų | 40.8 | 14% | 0.143 | 23% | 0.228 | C | C | . | . | trans | -121.8 | 170.4 | 169.8 | -61.7 | 176.1 | 0 | 0 | 0 | 109.2 | I3124 G3160 I3163 Y3171 Y3300 | I3124-L3158 HydrophobicContact CD1-CD1 3.81Å; I3124-L3158 HydrophobicContact CD1-CD2 4.26Å; I3124-L3158 HydrophobicContact CG1-CD1 3.94Å; L3158-G3160 PolarHBondContact O-N 3.07Å; L3158-G3160 VanDerWaalsContact O-N 3.09Å; L3158-I3163 HydrophobicContact CB-CD1 4.36Å; L3158-I3163 HydrophobicContact CD1-CD1 4.43Å; L3158-I3163 HydrophobicContact CG-CD1 4.26Å; L3158-Y3171 HydrophobicContact CD1-CD2 3.69Å; L3158-Y3171 HydrophobicContact CD1-CE2 3.68Å; L3158-Y3171 HydrophobicContact CD1-CG 4.41Å; L3158-Y3300 HydrophobicContact CD2-CD2 4.09Å; L3158-Y3300 HydrophobicContact CD2-CE2 4.27Å | ||
| 3159 | D | 83.6 | Confident | 88.3 | Confident | 42.2 Ų | 42.2 | 38.8 Ų | 38.8 | 23% | 0.226 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -68.3 | 119.4 | 171.4 | -133 | 18.8 | 0 | 0 | 0 | 109.2 | F3028 F3029 T3030 T3298 L3299 | F3028-D3159 CarbonylContact O-C 3.57Å; F3029-D3159 WeakPolarHBondContact CA-OD1 3.39Å; T3030-D3159 WeakPolarHBondContact CB-OD2 3.4Å; T3030-D3159 PolarHBondContact N-OD1 2.89Å; T3030-D3159 PolarHBondContact N-OD2 3Å; T3030-D3159 VanDerWaalsContact OG1-CG 3.3Å; T3030-D3159 PolarHBondContact OG1-OD1 3.25Å; T3030-D3159 PolarHBondContact OG1-OD2 3.18Å; D3159-T3298 VanDerWaalsContact O-CA 3.23Å; D3159-T3298 WeakPolarHBondContact O-CA 3.32Å; D3159-T3298 VanDerWaalsContact O-CB 3.31Å; D3159-T3298 WeakPolarHBondContact O-CB 3.38Å; D3159-T3298 PolarHBondContact O-OG1 2.86Å; D3159-L3299 HydrophobicContact CB-CB 4.1Å; D3159-L3299 PolarHBondContact O-N 2.93Å |
| 3160 | G | 82.7 | Confident | 88.5 | Confident | 9 Ų | 9 | 38.2 Ų | 38.2 | 9% | 0.093 | 21% | 0.211 | C | C | . | . | S | Bend | trans | 142 | -163.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F3028 L3158 | F3028-G3160 CarbonylContact O-C 3.5Å; F3028-G3160 VanDerWaalsContact O-C 3.28Å; F3028-G3160 VanDerWaalsContact O-CA 3.31Å; F3028-G3160 WeakPolarHBondContact O-CA 3.34Å; F3028-G3160 PolarHBondContact O-N 3.04Å; F3028-G3160 VanDerWaalsContact O-O 3.07Å; L3158-G3160 PolarHBondContact O-N 3.07Å; L3158-G3160 VanDerWaalsContact O-N 3.09Å |
| 3161 | P | 84.7 | Confident | 88.7 | Confident | 2.8 Ų | 2.8 | 34.9 Ų | 34.9 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -58.8 | 147.6 | 173.7 | -22.8 | 34.9 | 0 | 0 | 0 | 112.6 | F3028 I3163 L3294 S3296 I3337 | F3028-P3161 HydrophobicContact CB-CG 4.44Å; F3028-P3161 VanDerWaalsContact CD1-CA 3.49Å; F3028-P3161 HydrophobicContact CD1-CB 4.19Å; F3028-P3161 HydrophobicContact CD1-CG 4.3Å; F3028-P3161 HydrophobicContact CD2-CG 4.14Å; F3028-P3161 HydrophobicContact CE1-CB 4.11Å; F3028-P3161 HydrophobicContact CE1-CG 4.39Å; F3028-P3161 HydrophobicContact CE2-CB 4.39Å; F3028-P3161 VanDerWaalsContact CE2-CD 3.42Å; F3028-P3161 HydrophobicContact CE2-CG 4.1Å; F3028-P3161 HydrophobicContact CG-CB 4.41Å; F3028-P3161 HydrophobicContact CG-CG 4.15Å; F3028-P3161 HydrophobicContact CZ-CB 4.12Å; F3028-P3161 HydrophobicContact CZ-CG 4.31Å; P3161-I3163 PolarHBondContact O-N 2.98Å; P3161-L3294 HydrophobicContact CB-CD1 4.44Å; P3161-L3294 HydrophobicContact CB-CD2 4.26Å; P3161-S3296 WeakPolarHBondContact CD-OG 3.29Å; P3161-S3296 VanDerWaalsContact CG-OG 3.25Å; P3161-S3296 WeakPolarHBondContact CG-OG 3.28Å; P3161-I3337 HydrophobicContact CB-CB 4.29Å; P3161-I3337 HydrophobicContact CB-CD1 4.44Å; P3161-I3337 HydrophobicContact CB-CG2 4Å; P3161-I3337 HydrophobicContact CG-CB 4.02Å; P3161-I3337 HydrophobicContact CG-CG2 3.66Å |
| 3162 | I | 84.7 | Confident | 89.2 | Confident | 28 Ų | 28 | 30.6 Ų | 30.6 | 14% | 0.144 | 17% | 0.169 | C | C | . | . | trans | -61.8 | 124 | -179.3 | -61.4 | 165.7 | 0 | 0 | 0 | 109.3 | T2936 F3155 R3292 | T2936-I3162 HydrophobicContact CG2-CD1 3.52Å; T2936-I3162 HydrophobicContact CG2-CG1 4.31Å; F3155-I3162 HydrophobicContact CE2-CG2 4.33Å; F3155-I3162 HydrophobicContact CZ-CG2 4.26Å; I3162-R3292 PolarHBondContact O-NH1 3.17Å | ||
| 3163 | I | 89.7 | Confident | 89.8 | Confident | 0.4 Ų | 0.4 | 25.9 Ų | 25.9 | 0% | 0.002 | 14% | 0.136 | C | C | . | . | trans | -75.2 | -49.7 | 177.6 | -54.8 | 170.3 | 0 | 0 | 0 | 110 | Q3120 L3122 I3156 L3158 P3161 S3167 Y3171 R3292 L3294 | Q3120-I3163 VanDerWaalsContact NE2-CG2 3.33Å; L3122-I3163 HydrophobicContact CD2-CD1 3.74Å; L3122-I3163 HydrophobicContact CD2-CG2 4.17Å; I3156-I3163 WeakPolarHBondContact O-CD1 3.25Å; L3158-I3163 HydrophobicContact CB-CD1 4.36Å; L3158-I3163 HydrophobicContact CD1-CD1 4.43Å; L3158-I3163 HydrophobicContact CG-CD1 4.26Å; P3161-I3163 PolarHBondContact O-N 2.98Å; I3163-S3167 VanDerWaalsContact CG2-OG 3.26Å; I3163-S3167 WeakPolarHBondContact CG2-OG 3.25Å; I3163-Y3171 HydrophobicContact CD1-CE2 3.79Å; I3163-Y3171 WeakPolarHBondContact CD1-OH 3.37Å; I3163-Y3171 HydrophobicContact CG1-CE2 4.24Å; I3163-Y3171 VanDerWaalsContact CG1-OH 3.24Å; I3163-Y3171 WeakPolarHBondContact CG1-OH 3.27Å; I3163-R3292 WeakPolarHBondContact O-CD 3.41Å; I3163-R3292 PolarHBondContact O-NH1 3.17Å; I3163-L3294 HydrophobicContact CB-CD2 4.46Å; I3163-L3294 HydrophobicContact CG1-CD2 4.14Å | ||
| 3164 | G | 87.7 | Confident | 90.3 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | 74.7 | 170.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q3120 S3167 | Q3120-G3164 PolarHBondContact NE2-O 3.49Å; G3164-S3167 WeakPolarHBondContact O-CB 3.3Å; G3164-S3167 PolarHBondContact O-OG 3.13Å | ||
| 3165 | P | 91.9 | Very high | 90.9 | Very high | 4.8 Ų | 4.8 | 15.3 Ų | 15.3 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -74.7 | 164.5 | 176.9 | 27.7 | -27.8 | 0 | 0 | 0 | 112 | T3150 D3153 F3155 F3289 Q3321 | T3150-P3165 WeakPolarHBondContact O-CG 3.33Å; D3153-P3165 HydrophobicContact CB-CB 3.94Å; D3153-P3165 WeakPolarHBondContact O-CB 3.42Å; F3155-P3165 HydrophobicContact CD1-CB 4.43Å; F3155-P3165 HydrophobicContact CD1-CG 4.37Å; P3165-F3289 HydrophobicContact CG-CZ 4.1Å; P3165-Q3321 PolarHBondContact O-NE2 3.23Å; P3165-Q3321 VanDerWaalsContact O-NE2 3.12Å |
| 3166 | K | 95.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 11.9 Ų | 11.9 | 1% | 0.009 | 7% | 0.071 | C | C | . | . | S | Bend | trans | 54.6 | 61 | 179.4 | -162.8 | 177.5 | -165.8 | 166.3 | 0 | 111.3 | K3119 L3147 G3149 D3281 S3284 F3289 G3291 R3292 | K3119-K3166 VanDerWaalsContact O-CA 3.3Å; K3119-K3166 WeakPolarHBondContact O-CA 3.31Å; K3119-K3166 PolarHBondContact O-N 3.09Å; L3147-K3166 HydrophobicContact CB-CG 3.82Å; L3147-K3166 WeakPolarHBondContact O-CE 3.22Å; G3149-K3166 WeakPolarHBondContact O-CD 3.35Å; G3149-K3166 PolarHBondContact O-NZ 2.92Å; K3166-D3281 WeakPolarHBondContact CE-OD2 3.38Å; K3166-D3281 IonicContact NZ-OD1 3.01Å; K3166-D3281 PolarHBondContact NZ-OD1 2.88Å; K3166-D3281 IonicContact NZ-OD2 3.16Å; K3166-D3281 PolarHBondContact NZ-OD2 3.09Å; K3166-S3284 PolarHBondContact NZ-OG 3.08Å; K3166-F3289 HydrophobicContact CB-CE1 3.87Å; K3166-F3289 HydrophobicContact CD-CD1 3.87Å; K3166-F3289 HydrophobicContact CD-CE1 3.91Å; K3166-F3289 PolarHBondContact NZ-O 3.03Å; K3166-G3291 WeakPolarHBondContact O-CA 3.31Å; K3166-R3292 PolarHBondContact O-N 2.98Å |
| 3167 | S | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 155.6 | -164.7 | 64 | 0 | 0 | 0 | 0 | 114.8 | K3119 Q3120 M3121 I3163 G3164 R3292 | K3119-S3167 PolarHBondContact O-N 3.1Å; Q3120-S3167 WeakPolarHBondContact CA-O 3.35Å; Q3120-S3167 PolarHBondContact NE2-OG 2.96Å; M3121-S3167 PolarHBondContact N-O 2.97Å; I3163-S3167 VanDerWaalsContact CG2-OG 3.26Å; I3163-S3167 WeakPolarHBondContact CG2-OG 3.25Å; G3164-S3167 WeakPolarHBondContact O-CB 3.3Å; G3164-S3167 PolarHBondContact O-OG 3.13Å; S3167-R3292 CarbonylContact C-O 3.44Å; S3167-R3292 WeakPolarHBondContact CA-O 3.19Å |
| 3168 | I | 98 | Very high | 92.6 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.034 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 116.9 | 162 | -55.6 | 172 | 0 | 0 | 0 | 108 | F3118 M3121 L3147 V3170 M3174 I3278 R3292 I3293 L3294 | F3118-I3168 HydrophobicContact CE2-CD1 4.34Å; F3118-I3168 HydrophobicContact CE2-CG1 3.91Å; F3118-I3168 HydrophobicContact CZ-CD1 4.09Å; F3118-I3168 HydrophobicContact CZ-CG1 4.16Å; M3121-I3168 HydrophobicContact CB-CB 4.48Å; M3121-I3168 HydrophobicContact CB-CG1 4.13Å; M3121-I3168 HydrophobicContact CB-CG2 4.2Å; M3121-I3168 HydrophobicContact CG-CG2 4.27Å; M3121-I3168 CarbonylContact O-C 3.53Å; M3121-I3168 VanDerWaalsContact O-CA 3.27Å; M3121-I3168 WeakPolarHBondContact O-CA 3.32Å; M3121-I3168 HydrophobicContact SD-CD1 4.47Å; M3121-I3168 HydrophobicContact SD-CG2 4.1Å; L3147-I3168 HydrophobicContact CD1-CD1 4.15Å; L3147-I3168 HydrophobicContact CD1-CG1 4.4Å; L3147-I3168 HydrophobicContact CD2-CD1 4.21Å; L3147-I3168 HydrophobicContact CD2-CG1 4.13Å; I3168-V3170 HydrophobicContact CG2-CG2 3.98Å; I3168-M3174 HydrophobicContact CD1-CE 3.9Å; I3168-M3174 HydrophobicContact CG2-CE 4.36Å; I3168-M3174 HydrophobicContact CG2-SD 3.93Å; I3168-I3278 HydrophobicContact CD1-CG2 4.29Å; I3168-R3292 PolarHBondContact N-O 3.12Å; I3168-I3293 HydrophobicContact CB-CB 4.49Å; I3168-I3293 HydrophobicContact CB-CG1 4.14Å; I3168-I3293 HydrophobicContact CB-CG2 4.29Å; I3168-I3293 HydrophobicContact CD1-CD1 4.1Å; I3168-I3293 HydrophobicContact CD1-CG1 4.13Å; I3168-I3293 HydrophobicContact CG1-CG1 4.37Å; I3168-I3293 HydrophobicContact CG2-CG2 4.45Å; I3168-I3293 CarbonylContact O-C 3.57Å; I3168-I3293 WeakPolarHBondContact O-CA 3.28Å; I3168-L3294 PolarHBondContact O-N 2.94Å |
| 3169 | G | 97 | Very high | 93 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.041 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 117.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | M3121 L3122 I3123 | M3121-G3169 PolarHBondContact O-N 3.31Å; L3122-G3169 WeakPolarHBondContact CA-O 3.39Å; I3123-G3169 PolarHBondContact N-O 2.99Å |
| 3170 | V | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 102.4 | -177.1 | -170.7 | 0 | 0 | 0 | 0 | 109.6 | I3123 I3168 G3172 M3174 I3293 L3294 I3295 S3296 G3307 Q3308 | I3123-V3170 HydrophobicContact CD1-CG1 4.41Å; I3123-V3170 HydrophobicContact CD1-CG2 4.31Å; I3168-V3170 HydrophobicContact CG2-CG2 3.98Å; V3170-G3172 WeakPolarHBondContact CG1-O 3.2Å; V3170-M3174 HydrophobicContact CG1-CB 4Å; V3170-M3174 HydrophobicContact CG2-CB 4.13Å; V3170-M3174 HydrophobicContact CG2-SD 3.95Å; V3170-I3293 HydrophobicContact CG2-CG2 3.78Å; V3170-L3294 WeakPolarHBondContact CB-O 3.35Å; V3170-L3294 PolarHBondContact N-O 3.06Å; V3170-I3295 HydrophobicContact CB-CG1 4.27Å; V3170-I3295 HydrophobicContact CG2-CG1 4.47Å; V3170-S3296 PolarHBondContact O-N 3.02Å; V3170-G3307 WeakPolarHBondContact O-CA 3.44Å; V3170-Q3308 WeakPolarHBondContact CG1-O 3.31Å |
| 3171 | Y | 94.2 | Very high | 94 | Very high | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 34.5 | 173 | -54 | -80.1 | 0 | 0 | 0 | 110.4 | I3123 G3125 L3158 I3163 S3296 T3298 L3305 | I3123-Y3171 CarbonylContact O-C 3.52Å; I3123-Y3171 VanDerWaalsContact O-CA 3.23Å; I3123-Y3171 WeakPolarHBondContact O-CA 3.3Å; I3123-Y3171 WeakPolarHBondContact O-CB 3.28Å; I3123-Y3171 PolarHBondContact O-N 2.87Å; G3125-Y3171 PolarHBondContact N-O 2.91Å; L3158-Y3171 HydrophobicContact CD1-CD2 3.69Å; L3158-Y3171 HydrophobicContact CD1-CE2 3.68Å; L3158-Y3171 HydrophobicContact CD1-CG 4.41Å; I3163-Y3171 HydrophobicContact CD1-CE2 3.79Å; I3163-Y3171 WeakPolarHBondContact CD1-OH 3.37Å; I3163-Y3171 HydrophobicContact CG1-CE2 4.24Å; I3163-Y3171 VanDerWaalsContact CG1-OH 3.24Å; I3163-Y3171 WeakPolarHBondContact CG1-OH 3.27Å; Y3171-S3296 WeakPolarHBondContact CD1-O 3.35Å; Y3171-T3298 HydrophobicContact CD1-CG2 3.35Å; Y3171-T3298 HydrophobicContact CD2-CG2 4.34Å; Y3171-T3298 HydrophobicContact CE1-CG2 4.05Å; Y3171-T3298 HydrophobicContact CG-CG2 3.49Å; Y3171-T3298 VanDerWaalsContact CG-CG2 3.48Å; Y3171-L3305 WeakPolarHBondContact O-CB 3.1Å |
| 3172 | G | 93.5 | Very high | 94.4 | Very high | 3.8 Ų | 3.8 | 13.6 Ų | 13.6 | 4% | 0.039 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.2 | -138 | -178.9 | 0 | 0 | 0 | 0 | 0 | 107 | I3123 G3126 V3170 G3307 Q3308 | I3123-G3172 PolarHBondContact O-N 2.98Å; G3126-G3172 WeakPolarHBondContact O-CA 3.31Å; V3170-G3172 WeakPolarHBondContact CG1-O 3.2Å; G3172-G3307 CarbonylContact O-C 3.55Å; G3172-G3307 WeakPolarHBondContact O-CA 3.25Å; G3172-Q3308 PolarHBondContact O-N 3.1Å |
| 3173 | I | 94.6 | Very high | 94.8 | Very high | 1.8 Ų | 1.8 | 14.1 Ų | 14.1 | 1% | 0.009 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 127.2 | -178.8 | -51.6 | -178.8 | 0 | 0 | 0 | 111 | L3043 G3126 Q3127 F3128 Q3308 | L3043-I3173 HydrophobicContact CB-CD1 3.79Å; L3043-I3173 HydrophobicContact CD1-CB 4.26Å; L3043-I3173 HydrophobicContact CD1-CD1 4.08Å; L3043-I3173 HydrophobicContact CD1-CG1 4.14Å; L3043-I3173 HydrophobicContact CD1-CG2 3.84Å; L3043-I3173 HydrophobicContact CG-CD1 4.43Å; L3043-I3173 VanDerWaalsContact N-CD1 3.25Å; G3126-I3173 PolarHBondContact O-N 3.1Å; Q3127-I3173 CarbonylContact C-O 3.53Å; Q3127-I3173 VanDerWaalsContact CA-O 3.24Å; Q3127-I3173 WeakPolarHBondContact CA-O 3.33Å; Q3127-I3173 HydrophobicContact CB-CB 4.48Å; Q3127-I3173 HydrophobicContact CG-CB 4.2Å; Q3127-I3173 HydrophobicContact CG-CD1 4.48Å; F3128-I3173 PolarHBondContact N-O 3.03Å; I3173-Q3308 HydrophobicContact CG1-CB 4.28Å; I3173-Q3308 HydrophobicContact CG2-CB 4.32Å |
| 3174 | M | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 111.6 | 166.2 | -171.1 | 171.2 | -174.9 | 0 | 0 | 108.6 | I3123 F3128 L3145 I3168 V3170 M3176 I3278 I3293 Q3308 L3309 K3310 | I3123-M3174 HydrophobicContact CD1-CB 3.78Å; I3123-M3174 HydrophobicContact CD1-CG 4.09Å; I3123-M3174 HydrophobicContact CD1-SD 4.29Å; F3128-M3174 HydrophobicContact CB-CG 4.45Å; F3128-M3174 HydrophobicContact CD1-CE 4.13Å; F3128-M3174 HydrophobicContact CD1-CG 4.18Å; F3128-M3174 HydrophobicContact CE1-CE 4.34Å; L3145-M3174 HydrophobicContact CD1-CE 4.38Å; I3168-M3174 HydrophobicContact CD1-CE 3.9Å; I3168-M3174 HydrophobicContact CG2-CE 4.36Å; I3168-M3174 HydrophobicContact CG2-SD 3.93Å; V3170-M3174 HydrophobicContact CG1-CB 4Å; V3170-M3174 HydrophobicContact CG2-CB 4.13Å; V3170-M3174 HydrophobicContact CG2-SD 3.95Å; M3174-M3176 HydrophobicContact CE-CE 4.5Å; M3174-M3176 HydrophobicContact CE-SD 3.25Å; M3174-M3176 WeakPolarHBondContact CE-SD 3.3Å; M3174-M3176 HydrophobicContact CG-CG 4.42Å; M3174-M3176 HydrophobicContact CG-SD 4.19Å; M3174-M3176 HydrophobicContact SD-SD 4.45Å; M3174-I3278 HydrophobicContact CE-CD1 4.09Å; M3174-I3293 HydrophobicContact CE-CD1 4.08Å; M3174-I3293 HydrophobicContact SD-CD1 4.29Å; M3174-I3293 HydrophobicContact SD-CG2 4.38Å; M3174-Q3308 PolarHBondContact N-O 3.1Å; M3174-L3309 HydrophobicContact CB-CD1 3.83Å; M3174-L3309 HydrophobicContact CG-CD1 4.01Å; M3174-L3309 WeakPolarHBondContact O-CA 3.17Å; M3174-L3309 HydrophobicContact SD-CD1 4.08Å; M3174-K3310 PolarHBondContact O-N 3.15Å |
| 3175 | S | 96.5 | Very high | 95.4 | Very high | 0.6 Ų | 0.6 | 15.5 Ų | 15.5 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 110.6 | -176.4 | -167.3 | 0 | 0 | 0 | 0 | 109.7 | F3128 L3129 A3130 S3132 H3177 K3310 | F3128-S3175 PolarHBondContact O-N 2.86Å; L3129-S3175 CarbonylContact C-O 3.54Å; L3129-S3175 WeakPolarHBondContact CA-O 3.23Å; A3130-S3175 PolarHBondContact N-O 2.98Å; S3132-S3175 PolarHBondContact O-OG 3.06Å; S3175-H3177 PolarHBondContact OG-CE1 3.1Å; S3175-K3310 CarbonylContact C-O 3.33Å; S3175-K3310 WeakPolarHBondContact CA-O 3.35Å |
| 3176 | M | 97.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 116.5 | -176.9 | -57.3 | 174.3 | 56.8 | 0 | 0 | 111 | F3128 A3130 L3143 L3145 M3174 I3276 I3278 K3310 L3311 S3312 V3314 | F3128-M3176 HydrophobicContact CD1-CG 4.16Å; F3128-M3176 HydrophobicContact CD1-SD 3.96Å; F3128-M3176 HydrophobicContact CE1-CE 4.14Å; F3128-M3176 HydrophobicContact CE1-CG 4.14Å; F3128-M3176 HydrophobicContact CE1-SD 3.69Å; A3130-M3176 HydrophobicContact CB-CB 4.39Å; A3130-M3176 HydrophobicContact CB-CE 4.31Å; A3130-M3176 HydrophobicContact CB-CG 4.05Å; A3130-M3176 CarbonylContact O-C 3.47Å; A3130-M3176 VanDerWaalsContact O-CA 3.25Å; A3130-M3176 WeakPolarHBondContact O-CA 3.35Å; L3143-M3176 HydrophobicContact CD2-CE 3.95Å; L3145-M3176 HydrophobicContact CD1-CE 4Å; L3145-M3176 HydrophobicContact CD1-SD 4.41Å; L3145-M3176 HydrophobicContact CG-CE 4.49Å; M3174-M3176 HydrophobicContact CE-CE 4.5Å; M3174-M3176 HydrophobicContact CE-SD 3.25Å; M3174-M3176 WeakPolarHBondContact CE-SD 3.3Å; M3174-M3176 HydrophobicContact CG-CG 4.42Å; M3174-M3176 HydrophobicContact CG-SD 4.19Å; M3174-M3176 HydrophobicContact SD-SD 4.45Å; M3176-I3276 HydrophobicContact CB-CD1 4.43Å; M3176-I3276 HydrophobicContact CE-CG2 3.19Å; M3176-I3278 HydrophobicContact CE-CD1 3.97Å; M3176-I3278 HydrophobicContact CE-CG1 4.27Å; M3176-I3278 HydrophobicContact SD-CD1 4.09Å; M3176-K3310 PolarHBondContact N-O 3.32Å; M3176-L3311 HydrophobicContact CB-CD2 3.76Å; M3176-L3311 HydrophobicContact CG-CD2 4.23Å; M3176-L3311 CarbonylContact O-C 3.49Å; M3176-L3311 VanDerWaalsContact O-CA 3.31Å; M3176-L3311 WeakPolarHBondContact O-CA 3.28Å; M3176-L3311 HydrophobicContact SD-CD2 4.37Å; M3176-S3312 PolarHBondContact O-N 3.12Å; M3176-V3314 HydrophobicContact CB-CG2 4.07Å; M3176-V3314 HydrophobicContact CE-CG1 4.36Å; M3176-V3314 HydrophobicContact CE-CG2 4.31Å |
| 3177 | H | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 105.7 | -178.9 | -58.9 | 86.4 | 0 | 0 | 0 | 108.8 | A3130 G3131 L3134 P3137 L3138 S3175 S3312 Y3347 | A3130-H3177 PolarHBondContact O-N 3.08Å; G3131-H3177 WeakPolarHBondContact O-CB 3.42Å; G3131-H3177 PolarHBondContact O-N 3.02Å; G3131-H3177 PolarHBondContact O-ND1 3.02Å; L3134-H3177 PolarHBondContact N-CD2 3.12Å; L3134-H3177 PolarHBondContact N-NE2 3.09Å; P3137-H3177 CarbonylContact C-O 3.53Å; P3137-H3177 VanDerWaalsContact CA-O 3.31Å; P3137-H3177 WeakPolarHBondContact CA-O 3.37Å; P3137-H3177 HydrophobicContact CB-CB 4.27Å; P3137-H3177 WeakPolarHBondContact CB-O 3.24Å; L3138-H3177 PolarHBondContact N-O 3.1Å; S3175-H3177 PolarHBondContact OG-CE1 3.1Å; H3177-S3312 WeakPolarHBondContact CA-OG 3.43Å; H3177-S3312 WeakPolarHBondContact CB-OG 3.26Å; H3177-S3312 PolarHBondContact CD2-OG 3.02Å; H3177-Y3347 PolarHBondContact CE1-OH 3.12Å; H3177-Y3347 VanDerWaalsContact CE1-OH 3.31Å; H3177-Y3347 AromaticContact NE2-CE2 3.52Å; H3177-Y3347 WeakPolarHBondContact NE2-CE2 3.37Å; H3177-Y3347 AromaticContact NE2-CZ 3.54Å; H3177-Y3347 PolarHBondContact NE2-OH 3.12Å |
| 3178 | A | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.098 | C | C | . | . | P | Polyproline II helix | trans | -73.1 | 172.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P3137 P3180 S3274 N3275 I3276 S3312 D3313 | P3137-A3178 VanDerWaalsContact CB-O 3.26Å; P3137-A3178 WeakPolarHBondContact CB-O 3.23Å; A3178-P3180 VanDerWaalsContact O-CD 3.31Å; A3178-P3180 WeakPolarHBondContact O-CD 3.29Å; A3178-P3180 VanDerWaalsContact O-N 3.13Å; A3178-S3274 WeakPolarHBondContact CB-OG 3.38Å; A3178-N3275 WeakPolarHBondContact CA-OD1 3.19Å; A3178-N3275 VanDerWaalsContact CB-OD1 3.24Å; A3178-N3275 WeakPolarHBondContact CB-OD1 3.24Å; A3178-I3276 HydrophobicContact CB-CB 3.98Å; A3178-I3276 HydrophobicContact CB-CD1 3.93Å; A3178-I3276 HydrophobicContact CB-CG1 3.77Å; A3178-S3312 PolarHBondContact N-O 2.95Å; A3178-D3313 HydrophobicContact CB-CB 3.69Å; A3178-D3313 WeakPolarHBondContact CB-O 3.37Å |
| 3179 | V | 95.6 | Very high | 95.7 | Very high | 47.2 Ų | 47.2 | 22.9 Ų | 22.9 | 29% | 0.286 | 12% | 0.123 | S | C | . | . | P | Polyproline II helix | trans | -59 | 117.6 | 174.8 | 176.6 | 0 | 0 | 0 | 0 | 108.9 | L3138 T3139 K3181 N3275 | L3138-V3179 VanDerWaalsContact O-CG2 3.29Å; L3138-V3179 WeakPolarHBondContact O-CG2 3.32Å; T3139-V3179 HydrophobicContact CG2-CG2 4.43Å; V3179-K3181 PolarHBondContact O-NZ 2.89Å; V3179-N3275 PolarHBondContact N-OD1 2.86Å |
| 3180 | P | 94.5 | Very high | 95.6 | Very high | 68.4 Ų | 68.4 | 27.4 Ų | 27.4 | 44% | 0.444 | 15% | 0.147 | S | C | . | . | P | Polyproline II helix | trans | -63.5 | 151 | -175.3 | 25.3 | -34.2 | 0 | 0 | 0 | 111.6 | P3137 A3178 | P3137-P3180 HydrophobicContact CG-CG 4.47Å; A3178-P3180 VanDerWaalsContact O-CD 3.31Å; A3178-P3180 WeakPolarHBondContact O-CD 3.29Å; A3178-P3180 VanDerWaalsContact O-N 3.13Å |
| 3181 | K | 92 | Very high | 95.6 | Very high | 33.2 Ų | 33.2 | 29.8 Ų | 29.8 | 14% | 0.144 | 16% | 0.162 | C | C | . | . | trans | -111.6 | 131 | 171.8 | -55.2 | -61.3 | 166.1 | -153.4 | 0 | 109.8 | V3179 I3183 D3207 L3271 D3313 | V3179-K3181 PolarHBondContact O-NZ 2.89Å; K3181-I3183 PolarHBondContact O-N 3.4Å; K3181-D3207 HydrophobicContact CD-CB 4.04Å; K3181-L3271 HydrophobicContact CD-CD2 3.99Å; K3181-L3271 HydrophobicContact CG-CD2 4.11Å; K3181-D3313 PolarHBondContact N-OD1 3.14Å | ||
| 3182 | T | 91.9 | Very high | 95.7 | Very high | 95.4 Ų | 95.4 | 29.9 Ų | 29.9 | 59% | 0.585 | 16% | 0.163 | S | C | * | . | S | Bend | trans | -62.4 | -46.2 | 179.7 | -50.7 | 0 | 0 | 0 | 0 | 110.8 | D3207 | T3182-D3207 WeakPolarHBondContact CB-OD2 3.37Å; T3182-D3207 PolarHBondContact N-OD2 2.93Å; T3182-D3207 PolarHBondContact OG1-OD2 2.94Å |
| 3183 | I | 93.7 | Very high | 95.9 | Very high | 37.6 Ų | 37.6 | 33.5 Ų | 33.5 | 19% | 0.193 | 18% | 0.181 | C | C | . | . | trans | -124.8 | 112.5 | 174 | -60.5 | -105.1 | 0 | 0 | 0 | 107.6 | K3181 W3185 T3186 D3203 P3204 V3205 W3208 | K3181-I3183 PolarHBondContact O-N 3.4Å; I3183-W3185 VanDerWaalsContact CG2-O 3.3Å; I3183-W3185 WeakPolarHBondContact CG2-O 3.37Å; I3183-T3186 HydrophobicContact CG2-CG2 4.35Å; I3183-D3203 HydrophobicContact CD1-CB 4.14Å; I3183-P3204 VanDerWaalsContact CD1-O 3.25Å; I3183-P3204 WeakPolarHBondContact CD1-O 3.3Å; I3183-V3205 HydrophobicContact CB-CG1 4.44Å; I3183-V3205 HydrophobicContact CG2-CG1 4.21Å; I3183-W3208 HydrophobicContact CG2-CZ2 4.49Å; I3183-W3208 PolarHBondContact O-NE1 2.95Å | ||
| 3184 | R | 94.1 | Very high | 96 | Very high | 1.6 Ų | 1.6 | 35.9 Ų | 35.9 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -81.1 | -41.6 | 177.8 | -179 | 56.5 | 80.8 | 167.3 | 6.9 | 111.3 | L3271 K3273 D3313 S3350 N3373 I3375 | R3184-L3271 PolarHBondContact NH1-O 2.84Å; R3184-L3271 PolarHBondContact O-N 2.59Å; R3184-K3273 PolarHBondContact NH1-O 3.25Å; R3184-D3313 IonicContact CZ-OD1 2.92Å; R3184-D3313 IonicContact NE-OD1 3.25Å; R3184-D3313 VanDerWaalsContact NH2-CB 3.32Å; R3184-D3313 IonicContact NH2-OD1 3.1Å; R3184-D3313 PolarHBondContact NH2-OD1 3.04Å; R3184-S3350 PolarHBondContact NE-O 3.05Å; R3184-S3350 VanDerWaalsContact NE-O 3.16Å; R3184-S3350 PolarHBondContact NH2-O 3.05Å; R3184-N3373 WeakPolarHBondContact CB-ND2 3.41Å; R3184-I3375 HydrophobicContact CG-CD1 3.84Å; R3184-I3375 HydrophobicContact CG-CG1 4.12Å |
| 3185 | W | 96.9 | Very high | 96 | Very high | 28.4 Ų | 28.4 | 37.5 Ų | 37.5 | 11% | 0.108 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 155.8 | 172.8 | 65.6 | -85 | 0 | 0 | 0 | 109.6 | I3183 T3187 E3268 V3269 N3373 I3375 H3395 L3397 | I3183-W3185 VanDerWaalsContact CG2-O 3.3Å; I3183-W3185 WeakPolarHBondContact CG2-O 3.37Å; W3185-T3187 HydrophobicContact CZ3-CG2 4.43Å; W3185-E3268 HydrophobicContact CE3-CB 4.3Å; W3185-E3268 HydrophobicContact CE3-CG 4.21Å; W3185-E3268 HydrophobicContact CZ3-CB 4.42Å; W3185-E3268 HydrophobicContact CZ3-CG 3.84Å; W3185-V3269 CarbonylContact C-O 3.52Å; W3185-V3269 WeakPolarHBondContact CA-O 3.39Å; W3185-V3269 WeakPolarHBondContact CB-O 3.32Å; W3185-N3373 PolarHBondContact NE1-OD1 2.84Å; W3185-I3375 HydrophobicContact CB-CD1 4.17Å; W3185-I3375 HydrophobicContact CB-CG1 4.49Å; W3185-H3395 AromaticContact CE2-CE1 3.7Å; W3185-H3395 AromaticContact CE2-NE2 3.83Å; W3185-H3395 AromaticContact CH2-CE1 3.82Å; W3185-H3395 AromaticContact CH2-ND1 3.97Å; W3185-H3395 AromaticContact CZ2-CE1 3.29Å; W3185-H3395 WeakPolarHBondContact CZ2-CE1 3.43Å; W3185-H3395 AromaticContact CZ2-CG 3.96Å; W3185-H3395 AromaticContact CZ2-ND1 3.36Å; W3185-H3395 VanDerWaalsContact CZ2-ND1 3.34Å; W3185-H3395 WeakPolarHBondContact CZ2-ND1 3.29Å; W3185-H3395 AromaticContact CZ2-NE2 3.88Å; W3185-H3395 AromaticContact NE1-CD2 3.88Å; W3185-H3395 AromaticContact NE1-NE2 3.82Å; W3185-H3395 PolarHBondContact NE1-O 3.06Å; W3185-H3395 VanDerWaalsContact NE1-O 3.07Å; W3185-L3397 HydrophobicContact CB-CD2 3.81Å; W3185-L3397 HydrophobicContact CD2-CB 4.08Å; W3185-L3397 HydrophobicContact CD2-CD2 3.85Å; W3185-L3397 HydrophobicContact CE3-CD2 3.98Å; W3185-L3397 HydrophobicContact CG-CB 4.25Å; W3185-L3397 HydrophobicContact CG-CD2 3.79Å; W3185-L3397 HydrophobicContact CZ2-CB 4.4Å |
| 3186 | T | 96.5 | Very high | 96 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | -170.8 | 177.3 | -178.8 | 0 | 0 | 0 | 0 | 108.1 | I3183 L3201 D3203 V3205 W3208 V3269 | I3183-T3186 HydrophobicContact CG2-CG2 4.35Å; T3186-L3201 HydrophobicContact CG2-CB 4.15Å; T3186-L3201 HydrophobicContact CG2-CD1 3.96Å; T3186-L3201 HydrophobicContact CG2-CD2 4.17Å; T3186-L3201 HydrophobicContact CG2-CG 4.32Å; T3186-D3203 PolarHBondContact OG1-N 3.08Å; T3186-D3203 PolarHBondContact OG1-OD2 2.95Å; T3186-V3205 HydrophobicContact CG2-CG1 4.35Å; T3186-W3208 HydrophobicContact CG2-CH2 4.38Å; T3186-V3269 PolarHBondContact N-O 2.68Å; T3186-V3269 PolarHBondContact O-N 3.1Å |
| 3187 | T | 97 | Very high | 96 | Very high | 31.8 Ų | 31.8 | 43.2 Ų | 43.2 | 20% | 0.195 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 159.7 | 176.9 | 58.1 | 0 | 0 | 0 | 0 | 111.4 | W3185 T3202 G3266 A3267 E3268 | W3185-T3187 HydrophobicContact CZ3-CG2 4.43Å; T3187-T3202 PolarHBondContact O-N 3.09Å; T3187-T3202 PolarHBondContact O-OG1 3.02Å; T3187-T3202 PolarHBondContact OG1-OG1 2.98Å; T3187-T3202 VanDerWaalsContact OG1-OG1 3.1Å; T3187-G3266 VanDerWaalsContact CB-O 3.31Å; T3187-G3266 WeakPolarHBondContact CB-O 3.38Å; T3187-G3266 VanDerWaalsContact CG2-O 3.24Å; T3187-G3266 WeakPolarHBondContact CG2-O 3.31Å; T3187-A3267 CarbonylContact C-O 3.56Å; T3187-A3267 WeakPolarHBondContact CA-O 3.36Å; T3187-E3268 HydrophobicContact CG2-CG 4.4Å |
| 3188 | L | 97.7 | Very high | 96 | Very high | 2.6 Ų | 2.6 | 47.8 Ų | 47.8 | 1% | 0.014 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -66.4 | 136.6 | 166.8 | -66.3 | -174.9 | 0 | 0 | 0 | 111.4 | A3192 L3199 H3200 L3201 H3251 A3253 G3266 A3267 V3269 | L3188-A3192 HydrophobicContact CD1-CB 3.98Å; L3188-L3199 HydrophobicContact CD2-CB 3.93Å; L3188-L3199 HydrophobicContact CD2-CD2 4.21Å; L3188-L3199 HydrophobicContact CD2-CG 4.48Å; L3188-H3200 CarbonylContact C-O 3.52Å; L3188-H3200 WeakPolarHBondContact CA-O 3.34Å; L3188-L3201 HydrophobicContact CD2-CD2 4.01Å; L3188-H3251 HydrophobicContact CD1-CB 3.74Å; L3188-H3251 WeakPolarHBondContact CD1-O 3.22Å; L3188-A3253 HydrophobicContact CB-CB 4.26Å; L3188-A3253 WeakPolarHBondContact O-CB 3.42Å; L3188-G3266 WeakPolarHBondContact O-CA 3.26Å; L3188-A3267 HydrophobicContact CD1-CB 3.85Å; L3188-A3267 HydrophobicContact CG-CB 4.13Å; L3188-A3267 PolarHBondContact N-O 3.19Å; L3188-V3269 HydrophobicContact CD2-CG2 3.72Å; L3188-V3269 HydrophobicContact CG-CG2 3.99Å |
| 3189 | K | 96.3 | Very high | 96 | Very high | 123.8 Ų | 123.8 | 47.8 Ų | 47.8 | 54% | 0.538 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -86.5 | -31.2 | 170.9 | -178 | 175.6 | -179.1 | 177.6 | 0 | 112.4 | H3200 L3201 | K3189-H3200 PolarHBondContact N-O 3.15Å; K3189-L3201 WeakPolarHBondContact CB-O 3.27Å |
| 3190 | L | 95.9 | Very high | 96.1 | Very high | 95.4 Ų | 95.4 | 48.3 Ų | 48.3 | 50% | 0.499 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -129.1 | 146 | 176.6 | -60.9 | 176.2 | 0 | 0 | 0 | 109.3 | A3192 H3200 A3253 | L3190-A3192 PolarHBondContact O-N 2.99Å; L3190-H3200 HydrophobicContact CB-CB 4.11Å; L3190-H3200 HydrophobicContact CD1-CB 4.12Å; L3190-H3200 HydrophobicContact CG-CB 4.17Å; L3190-A3253 VanDerWaalsContact C-CB 3.45Å |
| 3191 | T | 96.5 | Very high | 96.2 | Very high | 49.4 Ų | 49.4 | 45.1 Ų | 45.1 | 30% | 0.303 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -56.3 | 128.4 | 172.6 | -63.1 | 0 | 0 | 0 | 0 | 110.2 | T3250 H3251 V3252 A3253 | T3191-T3250 HydrophobicContact CG2-CG2 3.86Å; T3191-H3251 WeakPolarHBondContact CA-O 3.23Å; T3191-V3252 HydrophobicContact CG2-CG2 4.38Å; T3191-A3253 PolarHBondContact OG1-N 3.3Å; T3191-A3253 PolarHBondContact OG1-O 2.92Å |
| 3192 | A | 97 | Very high | 96.4 | Very high | 2.6 Ų | 2.6 | 46.7 Ų | 46.7 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -102.1 | 117.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | L3188 L3190 L3199 L3247 T3250 H3251 | L3188-A3192 HydrophobicContact CD1-CB 3.98Å; L3190-A3192 PolarHBondContact O-N 2.99Å; A3192-L3199 HydrophobicContact CB-CD2 3.74Å; A3192-L3247 HydrophobicContact CB-CD1 3.51Å; A3192-T3250 CarbonylContact O-C 3.55Å; A3192-T3250 WeakPolarHBondContact O-CA 3.41Å; A3192-H3251 PolarHBondContact N-O 3.16Å; A3192-H3251 PolarHBondContact O-N 3.1Å |
| 3193 | N | 96.6 | Very high | 96.6 | Very high | 79 Ų | 79 | 45.4 Ų | 45.4 | 42% | 0.422 | 25% | 0.25 | S | C | . | . | P | Polyproline II helix | trans | -84.7 | 156.6 | -175.4 | -53.6 | -75.9 | 0 | 0 | 0 | 111 | G3195 D3196 | N3193-G3195 PolarHBondContact O-N 3Å; N3193-D3196 WeakPolarHBondContact CA-OD2 3.5Å; N3193-D3196 WeakPolarHBondContact CB-OD2 3.39Å; N3193-D3196 PolarHBondContact N-OD2 3.05Å; N3193-D3196 PolarHBondContact ND2-OD2 3.09Å; N3193-D3196 VanDerWaalsContact ND2-OD2 3.14Å; N3193-D3196 VanDerWaalsContact O-CB 3.24Å; N3193-D3196 WeakPolarHBondContact O-CB 3.41Å; N3193-D3196 PolarHBondContact O-N 3.08Å |
| 3194 | A | 96 | Very high | 96.8 | Very high | 52.6 Ų | 52.6 | 46.7 Ų | 46.7 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 129.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I3248 Y3249 T3250 | A3194-I3248 WeakPolarHBondContact CB-O 3.31Å; A3194-Y3249 PolarHBondContact N-O 2.85Å; A3194-T3250 PolarHBondContact N-OG1 3.01Å; A3194-T3250 VanDerWaalsContact N-OG1 3.07Å |
| 3195 | G | 97.3 | Very high | 96.8 | Very high | 33.4 Ų | 33.4 | 46.6 Ų | 46.6 | 34% | 0.344 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -12.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | N3193 K3246 L3247 | N3193-G3195 PolarHBondContact O-N 3Å; G3195-K3246 VanDerWaalsContact O-CD 3.24Å; G3195-K3246 WeakPolarHBondContact O-CD 3.35Å; G3195-K3246 WeakPolarHBondContact O-CE 3.46Å; G3195-K3246 WeakPolarHBondContact O-CG 3.22Å; G3195-L3247 PolarHBondContact N-O 2.92Å |
| 3196 | D | 97.3 | Very high | 96.7 | Very high | 63.8 Ų | 63.8 | 50.2 Ų | 50.2 | 34% | 0.341 | 28% | 0.281 | S | S | . | . | trans | -73.2 | 155.6 | 169.1 | -66.6 | -23.9 | 0 | 0 | 0 | 110.1 | N3193 K3246 L3247 | N3193-D3196 WeakPolarHBondContact CA-OD2 3.5Å; N3193-D3196 WeakPolarHBondContact CB-OD2 3.39Å; N3193-D3196 PolarHBondContact N-OD2 3.05Å; N3193-D3196 PolarHBondContact ND2-OD2 3.09Å; N3193-D3196 VanDerWaalsContact ND2-OD2 3.14Å; N3193-D3196 VanDerWaalsContact O-CB 3.24Å; N3193-D3196 WeakPolarHBondContact O-CB 3.41Å; N3193-D3196 PolarHBondContact O-N 3.08Å; D3196-K3246 WeakPolarHBondContact O-CA 3.35Å; D3196-L3247 PolarHBondContact O-N 3.12Å | ||
| 3197 | N | 97.1 | Very high | 96.5 | Very high | 56.6 Ų | 56.6 | 52.3 Ų | 52.3 | 30% | 0.303 | 29% | 0.292 | S | S | . | . | trans | -128.8 | 8.2 | 171 | 71 | -22.4 | 0 | 0 | 0 | 112.5 | T3242 L3243 K3246 | N3197-T3242 CarbonylContact O-C 3.5Å; N3197-T3242 VanDerWaalsContact O-CA 3.3Å; N3197-T3242 WeakPolarHBondContact O-CA 3.32Å; N3197-L3243 HydrophobicContact CB-CB 4.46Å; N3197-L3243 PolarHBondContact O-N 3.33Å; N3197-K3246 HydrophobicContact CB-CG 4.24Å | ||
| 3198 | Q | 97.5 | Very high | 96.4 | Very high | 96 Ų | 96 | 50.8 Ų | 50.8 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127.3 | 176.4 | -69 | -170.8 | -25.4 | 0 | 0 | 110 | I3240 I3241 T3242 | Q3198-I3240 HydrophobicContact CB-CG2 4.46Å; Q3198-I3241 CarbonylContact C-O 3.4Å; Q3198-I3241 WeakPolarHBondContact CA-O 3.21Å; Q3198-T3242 HydrophobicContact CG-CG2 4.33Å |
| 3199 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121.5 | 175.2 | -54.3 | -177.8 | 0 | 0 | 0 | 108.8 | L3188 A3192 L3201 I3214 I3216 I3240 I3241 L3243 L3247 V3269 | L3188-L3199 HydrophobicContact CD2-CB 3.93Å; L3188-L3199 HydrophobicContact CD2-CD2 4.21Å; L3188-L3199 HydrophobicContact CD2-CG 4.48Å; A3192-L3199 HydrophobicContact CB-CD2 3.74Å; L3199-L3201 HydrophobicContact CB-CD2 4.32Å; L3199-I3214 HydrophobicContact CD1-CD1 3.62Å; L3199-I3216 HydrophobicContact CD1-CD1 4.43Å; L3199-I3216 HydrophobicContact CD1-CG1 4.01Å; L3199-I3240 WeakPolarHBondContact O-CA 3.36Å; L3199-I3241 HydrophobicContact CB-CB 4.31Å; L3199-I3241 PolarHBondContact N-O 2.87Å; L3199-I3241 PolarHBondContact O-N 3.08Å; L3199-L3243 HydrophobicContact CD1-CD1 4.14Å; L3199-L3243 HydrophobicContact CD1-CD2 4.33Å; L3199-L3243 HydrophobicContact CD1-CG 4.32Å; L3199-L3243 HydrophobicContact CD2-CD1 4.48Å; L3199-L3243 HydrophobicContact CG-CD1 4.29Å; L3199-L3243 HydrophobicContact CG-CG 4.4Å; L3199-L3247 HydrophobicContact CD2-CD1 3.82Å; L3199-L3247 HydrophobicContact CD2-CD2 4.43Å; L3199-L3247 HydrophobicContact CD2-CG 4.49Å; L3199-V3269 HydrophobicContact CD1-CG1 4.43Å |
| 3200 | H | 97.7 | Very high | 96.4 | Very high | 59 Ų | 59 | 52.5 Ų | 52.5 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 112.7 | 172 | -65.6 | -99.2 | 0 | 0 | 0 | 108.7 | L3188 K3189 L3190 | L3188-H3200 CarbonylContact C-O 3.52Å; L3188-H3200 WeakPolarHBondContact CA-O 3.34Å; K3189-H3200 PolarHBondContact N-O 3.15Å; L3190-H3200 HydrophobicContact CB-CB 4.11Å; L3190-H3200 HydrophobicContact CD1-CB 4.12Å; L3190-H3200 HydrophobicContact CG-CB 4.17Å |
| 3201 | L | 97.7 | Very high | 96.4 | Very high | 0.6 Ų | 0.6 | 50.5 Ų | 50.5 | 0% | 0.003 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -90.9 | 156.5 | -176.6 | -53.6 | -177.4 | 0 | 0 | 0 | 112 | T3186 L3188 K3189 L3199 V3205 W3208 I3239 I3241 V3269 | T3186-L3201 HydrophobicContact CG2-CB 4.15Å; T3186-L3201 HydrophobicContact CG2-CD1 3.96Å; T3186-L3201 HydrophobicContact CG2-CD2 4.17Å; T3186-L3201 HydrophobicContact CG2-CG 4.32Å; L3188-L3201 HydrophobicContact CD2-CD2 4.01Å; K3189-L3201 WeakPolarHBondContact CB-O 3.27Å; L3199-L3201 HydrophobicContact CB-CD2 4.32Å; L3201-V3205 HydrophobicContact CD1-CB 4.39Å; L3201-V3205 HydrophobicContact CD1-CG1 3.64Å; L3201-V3205 HydrophobicContact CD1-CG2 3.78Å; L3201-W3208 HydrophobicContact CD1-CZ3 4.43Å; L3201-I3239 PolarHBondContact N-O 3.06Å; L3201-I3241 HydrophobicContact CD1-CD1 3.63Å; L3201-I3241 HydrophobicContact CD1-CG1 4.06Å; L3201-I3241 HydrophobicContact CG-CD1 4.45Å; L3201-V3269 HydrophobicContact CD2-CB 4.25Å; L3201-V3269 HydrophobicContact CD2-CG1 4.37Å; L3201-V3269 HydrophobicContact CD2-CG2 4.05Å |
| 3202 | T | 96.5 | Very high | 96.5 | Very high | 67 Ų | 67 | 49 Ų | 49 | 41% | 0.411 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -72.7 | -43 | 173.7 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | T3187 | T3187-T3202 PolarHBondContact O-N 3.09Å; T3187-T3202 PolarHBondContact O-OG1 3.02Å; T3187-T3202 PolarHBondContact OG1-OG1 2.98Å; T3187-T3202 VanDerWaalsContact OG1-OG1 3.1Å |
| 3203 | D | 95.8 | Very high | 96.5 | Very high | 67.4 Ų | 67.4 | 53 Ų | 53 | 36% | 0.36 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -110.8 | 147.2 | -176.2 | -56.4 | -64.3 | 0 | 0 | 0 | 112.3 | I3183 T3186 V3205 | I3183-D3203 HydrophobicContact CD1-CB 4.14Å; T3186-D3203 PolarHBondContact OG1-N 3.08Å; T3186-D3203 PolarHBondContact OG1-OD2 2.95Å; D3203-V3205 PolarHBondContact O-N 3.07Å |
| 3204 | P | 96.8 | Very high | 96.6 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 43% | 0.429 | 29% | 0.288 | S | S | . | . | trans | -72.8 | 123.4 | 176.2 | 28.6 | -33.4 | 0 | 0 | 0 | 112 | I3183 I3206 R3238 I3239 | I3183-P3204 VanDerWaalsContact CD1-O 3.25Å; I3183-P3204 WeakPolarHBondContact CD1-O 3.3Å; P3204-I3206 PolarHBondContact O-N 3.12Å; P3204-R3238 CarbonylContact C-O 3.55Å; P3204-R3238 WeakPolarHBondContact CA-O 3.27Å; P3204-R3238 HydrophobicContact CB-CB 4.06Å; P3204-I3239 HydrophobicContact CB-CG2 3.98Å | ||
| 3205 | V | 95.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -96.3 | 92.1 | -176.6 | -69.2 | 0 | 0 | 0 | 0 | 112.6 | I3183 T3186 L3201 D3203 W3208 V3234 R3238 I3241 | I3183-V3205 HydrophobicContact CB-CG1 4.44Å; I3183-V3205 HydrophobicContact CG2-CG1 4.21Å; T3186-V3205 HydrophobicContact CG2-CG1 4.35Å; L3201-V3205 HydrophobicContact CD1-CB 4.39Å; L3201-V3205 HydrophobicContact CD1-CG1 3.64Å; L3201-V3205 HydrophobicContact CD1-CG2 3.78Å; D3203-V3205 PolarHBondContact O-N 3.07Å; V3205-W3208 HydrophobicContact CB-CB 3.96Å; V3205-W3208 HydrophobicContact CB-CD2 3.74Å; V3205-W3208 HydrophobicContact CB-CE3 4.39Å; V3205-W3208 HydrophobicContact CB-CG 3.54Å; V3205-W3208 HydrophobicContact CG1-CD2 3.73Å; V3205-W3208 HydrophobicContact CG1-CE3 4.22Å; V3205-W3208 HydrophobicContact CG1-CG 4.06Å; V3205-W3208 HydrophobicContact CG1-CH2 4.36Å; V3205-W3208 HydrophobicContact CG1-CZ2 3.9Å; V3205-W3208 HydrophobicContact CG1-CZ3 4.47Å; V3205-W3208 HydrophobicContact CG2-CB 3.92Å; V3205-W3208 HydrophobicContact CG2-CD2 4.04Å; V3205-W3208 HydrophobicContact CG2-CE3 4.26Å; V3205-W3208 HydrophobicContact CG2-CG 3.93Å; V3205-V3234 HydrophobicContact CG2-CG1 4.37Å; V3205-R3238 VanDerWaalsContact CG2-O 3.27Å; V3205-R3238 WeakPolarHBondContact CG2-O 3.32Å; V3205-R3238 PolarHBondContact N-O 3.09Å; V3205-I3241 HydrophobicContact CG2-CD1 4.22Å; V3205-I3241 HydrophobicContact CG2-CG1 4.39Å | ||
| 3206 | I | 93.4 | Very high | 96.7 | Very high | 104.2 Ų | 104.2 | 45.1 Ų | 45.1 | 53% | 0.534 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -37.4 | -173.8 | -57.4 | 172.5 | 0 | 0 | 0 | 112.3 | P3204 | P3204-I3206 PolarHBondContact O-N 3.12Š|
| 3207 | D | 92.1 | Very high | 96.8 | Very high | 47.4 Ų | 47.4 | 42.1 Ų | 42.1 | 25% | 0.253 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -1.2 | -171.4 | -57.9 | -51.4 | 0 | 0 | 0 | 114.5 | K3181 T3182 | K3181-D3207 HydrophobicContact CD-CB 4.04Å; T3182-D3207 WeakPolarHBondContact CB-OD2 3.37Å; T3182-D3207 PolarHBondContact N-OD2 2.93Å; T3182-D3207 PolarHBondContact OG1-OD2 2.94Å |
| 3208 | W | 95.9 | Very high | 96.8 | Very high | 0.2 Ų | 0.2 | 39.4 Ų | 39.4 | 0% | 0.001 | 22% | 0.221 | C | C | . | . | trans | -89.5 | 125.7 | -175.9 | -64.3 | 33.6 | 0 | 0 | 0 | 108.9 | I3183 T3186 L3201 V3205 I3214 I3231 I3241 V3269 L3271 | I3183-W3208 HydrophobicContact CG2-CZ2 4.49Å; I3183-W3208 PolarHBondContact O-NE1 2.95Å; T3186-W3208 HydrophobicContact CG2-CH2 4.38Å; L3201-W3208 HydrophobicContact CD1-CZ3 4.43Å; V3205-W3208 HydrophobicContact CB-CB 3.96Å; V3205-W3208 HydrophobicContact CB-CD2 3.74Å; V3205-W3208 HydrophobicContact CB-CE3 4.39Å; V3205-W3208 HydrophobicContact CB-CG 3.54Å; V3205-W3208 HydrophobicContact CG1-CD2 3.73Å; V3205-W3208 HydrophobicContact CG1-CE3 4.22Å; V3205-W3208 HydrophobicContact CG1-CG 4.06Å; V3205-W3208 HydrophobicContact CG1-CH2 4.36Å; V3205-W3208 HydrophobicContact CG1-CZ2 3.9Å; V3205-W3208 HydrophobicContact CG1-CZ3 4.47Å; V3205-W3208 HydrophobicContact CG2-CB 3.92Å; V3205-W3208 HydrophobicContact CG2-CD2 4.04Å; V3205-W3208 HydrophobicContact CG2-CE3 4.26Å; V3205-W3208 HydrophobicContact CG2-CG 3.93Å; W3208-I3214 HydrophobicContact CE3-CG2 3.65Å; W3208-I3214 HydrophobicContact CH2-CG2 4.32Å; W3208-I3214 HydrophobicContact CZ3-CB 4.26Å; W3208-I3214 HydrophobicContact CZ3-CD1 4.39Å; W3208-I3214 HydrophobicContact CZ3-CG2 3.49Å; W3208-I3214 VanDerWaalsContact CZ3-CG2 3.45Å; W3208-I3231 HydrophobicContact CB-CD1 4.03Å; W3208-I3231 HydrophobicContact CE3-CD1 3.91Å; W3208-I3241 HydrophobicContact CD2-CD1 4.43Å; W3208-I3241 HydrophobicContact CE3-CD1 3.3Å; W3208-I3241 HydrophobicContact CZ3-CD1 3.51Å; W3208-I3241 VanDerWaalsContact CZ3-CD1 3.46Å; W3208-V3269 HydrophobicContact CH2-CB 4.41Å; W3208-V3269 HydrophobicContact CH2-CG1 3.84Å; W3208-V3269 HydrophobicContact CZ3-CG1 3.81Å; W3208-L3271 HydrophobicContact CD2-CB 4.22Å; W3208-L3271 HydrophobicContact CD2-CD1 4.03Å; W3208-L3271 HydrophobicContact CD2-CG 4.49Å; W3208-L3271 HydrophobicContact CE3-CD1 4.42Å; W3208-L3271 HydrophobicContact CG-CD1 4.07Å; W3208-L3271 HydrophobicContact CG-CD2 4.29Å; W3208-L3271 HydrophobicContact CH2-CB 4.42Å; W3208-L3271 HydrophobicContact CZ2-CB 3.8Å | ||
| 3209 | L | 95.9 | Very high | 96.8 | Very high | 82.2 Ų | 82.2 | 34.9 Ų | 34.9 | 43% | 0.43 | 20% | 0.2 | S | C | . | . | trans | -122.6 | 155.2 | -171.2 | -61 | 175.5 | 0 | 0 | 0 | 111.7 | G3211 D3212 | L3209-G3211 PolarHBondContact O-N 3.07Å; L3209-D3212 PolarHBondContact N-OD2 3.03Å; L3209-D3212 VanDerWaalsContact O-CB 3.24Å; L3209-D3212 WeakPolarHBondContact O-CB 3.37Å; L3209-D3212 VanDerWaalsContact O-CG 3.26Å; L3209-D3212 PolarHBondContact O-N 2.91Å; L3209-D3212 VanDerWaalsContact O-N 3.08Å | ||
| 3210 | P | 97.2 | Very high | 96.6 | Very high | 80.6 Ų | 80.6 | 35.2 Ų | 35.2 | 52% | 0.523 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | 134.6 | 167.4 | -27 | 35.9 | 0 | 0 | 0 | 112.2 | I3231 A3232 | P3210-I3231 CarbonylContact C-O 3.51Å; P3210-I3231 WeakPolarHBondContact CA-O 3.31Å; P3210-A3232 WeakPolarHBondContact CB-O 3.29Å |
| 3211 | G | 97.2 | Very high | 96.5 | Very high | 52.4 Ų | 52.4 | 32.6 Ų | 32.6 | 54% | 0.54 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92 | -13.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L3209 I3231 | L3209-G3211 PolarHBondContact O-N 3.07Å; G3211-I3231 PolarHBondContact N-O 2.97Å |
| 3212 | D | 97.5 | Very high | 96.4 | Very high | 17.4 Ų | 17.4 | 34 Ų | 34 | 9% | 0.093 | 20% | 0.197 | C | C | . | . | trans | -72.2 | 146.2 | 177.4 | -66.2 | -17.2 | 0 | 0 | 0 | 111.4 | L3209 V3230 I3231 L3271 K3273 | L3209-D3212 PolarHBondContact N-OD2 3.03Å; L3209-D3212 VanDerWaalsContact O-CB 3.24Å; L3209-D3212 WeakPolarHBondContact O-CB 3.37Å; L3209-D3212 VanDerWaalsContact O-CG 3.26Å; L3209-D3212 PolarHBondContact O-N 2.91Å; L3209-D3212 VanDerWaalsContact O-N 3.08Å; D3212-V3230 WeakPolarHBondContact O-CA 3.31Å; D3212-I3231 HydrophobicContact CB-CD1 4.19Å; D3212-I3231 PolarHBondContact O-N 2.84Å; D3212-L3271 HydrophobicContact CB-CD1 3.89Å; D3212-K3273 HydrophobicContact CB-CD 4.49Å; D3212-K3273 VanDerWaalsContact CG-CD 3.5Å; D3212-K3273 VanDerWaalsContact OD1-CD 3.31Å; D3212-K3273 WeakPolarHBondContact OD1-CD 3.34Å; D3212-K3273 VanDerWaalsContact OD1-CE 3.29Å; D3212-K3273 WeakPolarHBondContact OD1-CE 3.24Å; D3212-K3273 IonicContact OD1-NZ 2.92Å; D3212-K3273 PolarHBondContact OD1-NZ 3.16Å; D3212-K3273 WeakPolarHBondContact OD2-CD 3.39Å; D3212-K3273 IonicContact OD2-NZ 3.12Å; D3212-K3273 PolarHBondContact OD2-NZ 3.16Å | ||
| 3213 | R | 97.9 | Very high | 96.4 | Very high | 86.8 Ų | 86.8 | 31.1 Ų | 31.1 | 33% | 0.328 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 140.2 | 174.4 | -68.5 | 172.6 | 66.8 | -141.4 | -0.6 | 109.7 | V3228 G3229 V3230 I3272 E3354 | R3213-V3228 HydrophobicContact CB-CG1 4.34Å; R3213-G3229 WeakPolarHBondContact CA-O 3.34Å; R3213-V3230 HydrophobicContact CG-CG2 4.36Å; R3213-I3272 HydrophobicContact CB-CB 3.95Å; R3213-I3272 HydrophobicContact CB-CG2 4.25Å; R3213-I3272 WeakPolarHBondContact O-CA 3.41Å; R3213-I3272 WeakPolarHBondContact O-CB 3.3Å; R3213-I3272 PolarHBondContact O-N 2.99Å; R3213-E3354 IonicContact CZ-OE1 3.27Å; R3213-E3354 IonicContact CZ-OE2 3.24Å; R3213-E3354 IonicContact NH1-OE1 3.28Å; R3213-E3354 PolarHBondContact NH1-OE1 2.98Å; R3213-E3354 VanDerWaalsContact NH1-OE1 3.13Å; R3213-E3354 IonicContact NH1-OE2 2.97Å; R3213-E3354 PolarHBondContact NH1-OE2 3.05Å; R3213-E3354 IonicContact NH2-OE1 3.12Å; R3213-E3354 PolarHBondContact NH2-OE1 2.84Å; R3213-E3354 IonicContact NH2-OE2 3.19Å |
| 3214 | I | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 147.6 | 173 | 64.4 | 172.1 | 0 | 0 | 0 | 109.8 | L3199 W3208 I3216 V3228 G3229 I3231 I3241 L3243 V3269 G3270 L3271 | L3199-I3214 HydrophobicContact CD1-CD1 3.62Å; W3208-I3214 HydrophobicContact CE3-CG2 3.65Å; W3208-I3214 HydrophobicContact CH2-CG2 4.32Å; W3208-I3214 HydrophobicContact CZ3-CB 4.26Å; W3208-I3214 HydrophobicContact CZ3-CD1 4.39Å; W3208-I3214 HydrophobicContact CZ3-CG2 3.49Å; W3208-I3214 VanDerWaalsContact CZ3-CG2 3.45Å; I3214-I3216 HydrophobicContact CD1-CD1 4.18Å; I3214-I3216 HydrophobicContact CD1-CG1 4.47Å; I3214-I3216 HydrophobicContact CG1-CD1 4.02Å; I3214-V3228 CarbonylContact O-C 3.53Å; I3214-V3228 VanDerWaalsContact O-CA 3.23Å; I3214-V3228 WeakPolarHBondContact O-CA 3.31Å; I3214-V3228 WeakPolarHBondContact O-CG1 3.3Å; I3214-G3229 PolarHBondContact N-O 3.17Å; I3214-G3229 PolarHBondContact O-N 3.07Å; I3214-I3231 HydrophobicContact CG1-CG1 4.46Å; I3214-I3231 HydrophobicContact CG2-CD1 3.85Å; I3214-I3231 HydrophobicContact CG2-CG1 4.09Å; I3214-I3241 HydrophobicContact CD1-CD1 4.35Å; I3214-I3241 HydrophobicContact CD1-CG2 4.39Å; I3214-L3243 HydrophobicContact CD1-CD2 3.77Å; I3214-L3243 HydrophobicContact CG1-CD2 4.2Å; I3214-V3269 HydrophobicContact CB-CG1 4.35Å; I3214-V3269 HydrophobicContact CD1-CG1 3.74Å; I3214-V3269 HydrophobicContact CG1-CG1 4.46Å; I3214-G3270 CarbonylContact C-O 3.52Å; I3214-G3270 WeakPolarHBondContact CA-O 3.38Å; I3214-G3270 WeakPolarHBondContact CB-O 3.43Å; I3214-L3271 HydrophobicContact CG2-CD1 4.17Å |
| 3215 | V | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 136.5 | 168.8 | 57.8 | 0 | 0 | 0 | 0 | 109.2 | V3228 V3269 G3270 I3272 I3375 Y3377 I3399 | V3215-V3228 HydrophobicContact CB-CG2 4.38Å; V3215-V3228 HydrophobicContact CG2-CG2 4.44Å; V3215-V3269 CarbonylContact O-C 3.52Å; V3215-V3269 VanDerWaalsContact O-CA 3.29Å; V3215-V3269 WeakPolarHBondContact O-CA 3.34Å; V3215-G3270 PolarHBondContact N-O 3.09Å; V3215-G3270 PolarHBondContact O-N 2.9Å; V3215-I3272 HydrophobicContact CB-CD1 3.95Å; V3215-I3272 HydrophobicContact CG1-CD1 4.28Å; V3215-I3272 HydrophobicContact CG1-CG1 4.38Å; V3215-I3375 HydrophobicContact CG1-CG2 4.39Å; V3215-Y3377 HydrophobicContact CG2-CD1 4.43Å; V3215-Y3377 HydrophobicContact CG2-CD2 3.72Å; V3215-Y3377 HydrophobicContact CG2-CE1 4.44Å; V3215-Y3377 HydrophobicContact CG2-CE2 3.74Å; V3215-Y3377 HydrophobicContact CG2-CG 4.08Å; V3215-I3399 HydrophobicContact CB-CD1 4.43Å; V3215-I3399 HydrophobicContact CG1-CD1 3.73Å; V3215-I3399 HydrophobicContact CG2-CD1 3.82Å; V3215-I3399 HydrophobicContact CG2-CG2 4.3Å |
| 3216 | I | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 119.8 | 172.7 | -51.7 | 87.6 | 0 | 0 | 0 | 107.1 | L3199 I3214 S3226 E3227 L3243 L3247 H3251 A3267 E3268 V3269 | L3199-I3216 HydrophobicContact CD1-CD1 4.43Å; L3199-I3216 HydrophobicContact CD1-CG1 4.01Å; I3214-I3216 HydrophobicContact CD1-CD1 4.18Å; I3214-I3216 HydrophobicContact CD1-CG1 4.47Å; I3214-I3216 HydrophobicContact CG1-CD1 4.02Å; I3216-S3226 CarbonylContact O-C 3.59Å; I3216-S3226 VanDerWaalsContact O-CA 3.31Å; I3216-S3226 WeakPolarHBondContact O-CA 3.44Å; I3216-E3227 PolarHBondContact N-O 3.01Å; I3216-E3227 PolarHBondContact O-N 2.96Å; I3216-L3243 HydrophobicContact CD1-CD1 4.47Å; I3216-L3247 HydrophobicContact CD1-CD2 4.44Å; I3216-H3251 HydrophobicContact CG2-CB 4.01Å; I3216-H3251 VanDerWaalsContact CG2-CG 3.44Å; I3216-H3251 VanDerWaalsContact CG2-ND1 3.35Å; I3216-H3251 WeakPolarHBondContact CG2-ND1 3.35Å; I3216-A3267 HydrophobicContact CG2-CB 4.4Å; I3216-E3268 WeakPolarHBondContact CA-O 3.41Å; I3216-V3269 HydrophobicContact CG1-CG1 4.42Å; I3216-V3269 HydrophobicContact CG1-CG2 4.5Å; I3216-V3269 HydrophobicContact CG2-CG2 4.38Å |
| 3217 | A | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | trans | -74.7 | 146.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | H3251 E3268 I3399 A3438 | A3217-H3251 PolarHBondContact O-CE1 3.02Å; A3217-H3251 PolarHBondContact O-ND1 3.02Å; A3217-E3268 HydrophobicContact CB-CB 4.05Å; A3217-E3268 PolarHBondContact N-O 2.94Å; A3217-I3399 HydrophobicContact CB-CD1 3.95Å; A3217-I3399 HydrophobicContact CB-CG1 4.05Å; A3217-I3399 HydrophobicContact CB-CG2 4.3Å; A3217-A3438 HydrophobicContact CB-CB 3.69Å | ||
| 3218 | T | 97.5 | Very high | 96.9 | Very high | 0.6 Ų | 0.6 | 26.9 Ų | 26.9 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | trans | -57.2 | 147.5 | 171.1 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | S3220 N3222 S3226 H3466 S3467 | T3218-S3220 PolarHBondContact OG1-N 3.23Å; T3218-S3220 PolarHBondContact OG1-OG 3.09Å; T3218-N3222 PolarHBondContact OG1-O 3.03Å; T3218-S3226 PolarHBondContact N-OG 2.73Å; T3218-H3466 PolarHBondContact O-CE1 3.04Å; T3218-H3466 PolarHBondContact O-ND1 3.05Å; T3218-S3467 VanDerWaalsContact CG2-CB 3.47Å; T3218-S3467 WeakPolarHBondContact CG2-OG 3.38Å | ||
| 3219 | T | 96.8 | Very high | 96.9 | Very high | 1.2 Ų | 1.2 | 27.2 Ų | 27.2 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | trans | -117.8 | -1.9 | 168.3 | 53 | 0 | 0 | 0 | 0 | 112.9 | T3250 V3252 A3267 S3491 Q3552 | T3219-T3250 PolarHBondContact OG1-O 3.03Å; T3219-V3252 HydrophobicContact CG2-CB 4.42Å; T3219-V3252 PolarHBondContact OG1-N 3.13Å; T3219-A3267 HydrophobicContact CG2-CB 3.53Å; T3219-S3491 WeakPolarHBondContact O-CB 3.16Å; T3219-S3491 PolarHBondContact O-OG 3.22Å; T3219-Q3552 PolarHBondContact O-NE2 2.84Å | ||
| 3220 | S | 95.4 | Very high | 97 | Very high | 5.6 Ų | 5.6 | 25.6 Ų | 25.6 | 4% | 0.039 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -92.6 | 176.6 | -176.9 | 73.4 | 0 | 0 | 0 | 0 | 111.4 | T3218 N3222 Q3225 S3467 D3556 | T3218-S3220 PolarHBondContact OG1-N 3.23Å; T3218-S3220 PolarHBondContact OG1-OG 3.09Å; S3220-N3222 PolarHBondContact O-N 3Å; S3220-N3222 PolarHBondContact OG-N 2.97Å; S3220-N3222 VanDerWaalsContact OG-N 3.15Å; S3220-N3222 PolarHBondContact OG-O 2.95Å; S3220-Q3225 VanDerWaalsContact CB-OE1 3.23Å; S3220-Q3225 VanDerWaalsContact OG-CD 3.26Å; S3220-Q3225 PolarHBondContact OG-OE1 3.14Å; S3220-S3467 WeakPolarHBondContact O-CA 3.43Å; S3220-S3467 WeakPolarHBondContact O-CB 3.24Å; S3220-S3467 PolarHBondContact O-OG 3.07Å; S3220-D3556 WeakPolarHBondContact CA-OD2 3.31Å; S3220-D3556 VanDerWaalsContact CB-OD1 3.31Å; S3220-D3556 WeakPolarHBondContact CB-OD1 3.24Å |
| 3221 | M | 94.7 | Very high | 97.1 | Very high | 6 Ų | 6 | 21.8 Ų | 21.8 | 3% | 0.03 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -67.9 | -14.4 | 171.8 | -69.4 | -173 | -170.5 | 0 | 0 | 112.7 | Y3223 S3491 D3514 A3516 D3556 P3558 Y3580 | M3221-Y3223 PolarHBondContact O-N 3.14Å; M3221-S3491 WeakPolarHBondContact CG-O 3.4Å; M3221-D3514 WeakPolarHBondContact CE-O 3.34Å; M3221-A3516 HydrophobicContact CE-CB 3.77Å; M3221-A3516 HydrophobicContact SD-CB 4Å; M3221-D3556 WeakPolarHBondContact CB-OD2 3.24Å; M3221-D3556 VanDerWaalsContact CG-OD2 3.31Å; M3221-D3556 WeakPolarHBondContact CG-OD2 3.34Å; M3221-D3556 VanDerWaalsContact N-CG 3.32Å; M3221-D3556 PolarHBondContact N-OD1 3.2Å; M3221-D3556 PolarHBondContact N-OD2 3.14Å; M3221-P3558 HydrophobicContact CB-CB 4.48Å; M3221-P3558 WeakPolarHBondContact O-CA 3.4Å; M3221-Y3580 HydrophobicContact CE-CE1 4.1Å; M3221-Y3580 HydrophobicContact CE-CE2 4.37Å; M3221-Y3580 VanDerWaalsContact CE-OH 3.25Å; M3221-Y3580 WeakPolarHBondContact CE-OH 3.28Å |
| 3222 | N | 96.2 | Very high | 97.1 | Very high | 28.6 Ų | 28.6 | 21.6 Ų | 21.6 | 15% | 0.153 | 12% | 0.115 | C | C | . | . | trans | -89.7 | 108.7 | 177.5 | -169.3 | -29.4 | 0 | 0 | 0 | 111.2 | T3218 S3220 K3224 Q3225 | T3218-N3222 PolarHBondContact OG1-O 3.03Å; S3220-N3222 PolarHBondContact O-N 3Å; S3220-N3222 PolarHBondContact OG-N 2.97Å; S3220-N3222 VanDerWaalsContact OG-N 3.15Å; S3220-N3222 PolarHBondContact OG-O 2.95Å; N3222-K3224 PolarHBondContact O-N 2.92Å; N3222-K3224 VanDerWaalsContact O-N 3.13Å; N3222-K3224 WeakPolarHBondContact OD1-CB 3.29Å; N3222-K3224 PolarHBondContact OD1-N 2.98Å; N3222-Q3225 HydrophobicContact CB-CG 3.96Å; N3222-Q3225 PolarHBondContact O-N 2.95Å | ||
| 3223 | Y | 95.3 | Very high | 97.1 | Very high | 5.8 Ų | 5.8 | 23.4 Ų | 23.4 | 2% | 0.023 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.2 | -179.4 | 79.8 | -83.1 | 0 | 0 | 0 | 114.3 | M3221 Q3225 E3400 I3402 E3441 S3467 D3559 A3562 | M3221-Y3223 PolarHBondContact O-N 3.14Å; Y3223-Q3225 VanDerWaalsContact C-N 3.33Å; Y3223-Q3225 PolarHBondContact O-N 3.02Å; Y3223-E3400 HydrophobicContact CD2-CG 4.05Å; Y3223-E3400 HydrophobicContact CE2-CG 4.35Å; Y3223-I3402 HydrophobicContact CE2-CG1 4.24Å; Y3223-E3441 HydrophobicContact CD1-CB 4.39Å; Y3223-E3441 HydrophobicContact CD2-CB 4.37Å; Y3223-E3441 HydrophobicContact CE1-CB 3.83Å; Y3223-E3441 HydrophobicContact CE1-CG 3.78Å; Y3223-E3441 HydrophobicContact CE2-CB 3.89Å; Y3223-E3441 HydrophobicContact CE2-CG 4.39Å; Y3223-E3441 VanDerWaalsContact CZ-CB 3.48Å; Y3223-E3441 VanDerWaalsContact OH-CD 3.27Å; Y3223-E3441 VanDerWaalsContact OH-CG 3.28Å; Y3223-E3441 WeakPolarHBondContact OH-CG 3.4Å; Y3223-E3441 PolarHBondContact OH-OE2 3.12Å; Y3223-E3441 VanDerWaalsContact OH-OE2 3.05Å; Y3223-S3467 WeakPolarHBondContact CB-O 3.23Å; Y3223-D3559 HydrophobicContact CD1-CB 4.21Å; Y3223-D3559 HydrophobicContact CE1-CB 3.94Å; Y3223-A3562 HydrophobicContact CE1-CB 4.09Å |
| 3224 | K | 95.4 | Very high | 97.1 | Very high | 71.2 Ų | 71.2 | 20.4 Ų | 20.4 | 31% | 0.31 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -2.7 | -178.4 | -64.5 | -176.9 | 178.5 | 162.3 | 0 | 114.3 | N3222 S3226 E3406 D3559 | N3222-K3224 PolarHBondContact O-N 2.92Å; N3222-K3224 VanDerWaalsContact O-N 3.13Å; N3222-K3224 WeakPolarHBondContact OD1-CB 3.29Å; N3222-K3224 PolarHBondContact OD1-N 2.98Å; K3224-S3226 PolarHBondContact O-N 3.13Å; K3224-E3406 IonicContact NZ-OE1 3.1Å; K3224-E3406 PolarHBondContact NZ-OE1 3.13Å; K3224-D3559 IonicContact NZ-OD1 2.98Å; K3224-D3559 PolarHBondContact NZ-OD1 3.25Å; K3224-D3559 IonicContact NZ-OD2 3.61Å; K3224-D3559 PolarHBondContact NZ-OD2 3.28Å |
| 3225 | Q | 96.2 | Very high | 97 | Very high | 46 Ų | 46 | 21.8 Ų | 21.8 | 22% | 0.215 | 13% | 0.131 | C | C | . | . | trans | -83.4 | 19.2 | 178.6 | -66.1 | -174.5 | -7 | 0 | 0 | 113.6 | S3220 N3222 Y3223 Y3249 H3251 | S3220-Q3225 VanDerWaalsContact CB-OE1 3.23Å; S3220-Q3225 VanDerWaalsContact OG-CD 3.26Å; S3220-Q3225 PolarHBondContact OG-OE1 3.14Å; N3222-Q3225 HydrophobicContact CB-CG 3.96Å; N3222-Q3225 PolarHBondContact O-N 2.95Å; Y3223-Q3225 VanDerWaalsContact C-N 3.33Å; Y3223-Q3225 PolarHBondContact O-N 3.02Å; Q3225-Y3249 HydrophobicContact CB-CD1 4.07Å; Q3225-Y3249 HydrophobicContact CB-CD2 3.9Å; Q3225-Y3249 HydrophobicContact CB-CE1 4.43Å; Q3225-Y3249 HydrophobicContact CB-CE2 4.26Å; Q3225-Y3249 HydrophobicContact CB-CG 3.79Å; Q3225-Y3249 HydrophobicContact CG-CD1 3.68Å; Q3225-Y3249 HydrophobicContact CG-CD2 4.27Å; Q3225-Y3249 HydrophobicContact CG-CE1 3.75Å; Q3225-Y3249 HydrophobicContact CG-CE2 4.32Å; Q3225-Y3249 HydrophobicContact CG-CG 3.95Å; Q3225-Y3249 WeakPolarHBondContact O-CD2 3.41Å; Q3225-H3251 PolarHBondContact O-CE1 3.06Å | ||
| 3226 | S | 97.5 | Very high | 96.9 | Very high | 7 Ų | 7 | 27.7 Ų | 27.7 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | trans | -82 | 137.4 | 167.8 | -55 | 0 | 0 | 0 | 0 | 109.1 | I3216 T3218 K3224 I3399 | I3216-S3226 CarbonylContact O-C 3.59Å; I3216-S3226 VanDerWaalsContact O-CA 3.31Å; I3216-S3226 WeakPolarHBondContact O-CA 3.44Å; T3218-S3226 PolarHBondContact N-OG 2.73Å; K3224-S3226 PolarHBondContact O-N 3.13Å; S3226-I3399 VanDerWaalsContact OG-CG2 3.28Å; S3226-I3399 WeakPolarHBondContact OG-CG2 3.33Å | ||
| 3227 | E | 97.3 | Very high | 96.7 | Very high | 23.4 Ų | 23.4 | 31.6 Ų | 31.6 | 11% | 0.109 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 157.5 | -177.4 | 60.8 | -178.2 | 136.3 | 0 | 0 | 113.1 | I3216 L3247 I3248 Y3249 H3251 | I3216-E3227 PolarHBondContact N-O 3.01Å; I3216-E3227 PolarHBondContact O-N 2.96Å; E3227-L3247 HydrophobicContact CG-CD2 4.28Å; E3227-I3248 PolarHBondContact OE1-N 3.14Å; E3227-I3248 WeakPolarHBondContact OE2-CB 3.5Å; E3227-I3248 WeakPolarHBondContact OE2-CG1 3.43Å; E3227-I3248 PolarHBondContact OE2-N 3.25Å; E3227-Y3249 PolarHBondContact OE1-N 3.25Å; E3227-H3251 IonicContact OE1-CD2 3.34Å; E3227-H3251 IonicContact OE1-NE2 3.49Å; E3227-H3251 PolarHBondContact OE1-NE2 3.12Å; E3227-H3251 VanDerWaalsContact OE1-NE2 3.15Å |
| 3228 | V | 97.8 | Very high | 96.7 | Very high | 50 Ų | 50 | 36.2 Ų | 36.2 | 30% | 0.303 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.1 | 179.3 | 172.4 | 0 | 0 | 0 | 0 | 109.1 | R3213 I3214 V3215 I3272 Y3377 | R3213-V3228 HydrophobicContact CB-CG1 4.34Å; I3214-V3228 CarbonylContact O-C 3.53Å; I3214-V3228 VanDerWaalsContact O-CA 3.23Å; I3214-V3228 WeakPolarHBondContact O-CA 3.31Å; I3214-V3228 WeakPolarHBondContact O-CG1 3.3Å; V3215-V3228 HydrophobicContact CB-CG2 4.38Å; V3215-V3228 HydrophobicContact CG2-CG2 4.44Å; V3228-I3272 HydrophobicContact CG1-CD1 4.48Å; V3228-I3272 HydrophobicContact CG2-CD1 4.21Å; V3228-Y3377 HydrophobicContact CG2-CD1 4.44Å; V3228-Y3377 HydrophobicContact CG2-CE1 3.55Å |
| 3229 | G | 97 | Very high | 96.6 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 156.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | R3213 I3214 | R3213-G3229 WeakPolarHBondContact CA-O 3.34Å; I3214-G3229 PolarHBondContact N-O 3.17Å; I3214-G3229 PolarHBondContact O-N 3.07Å |
| 3230 | V | 98.4 | Very high | 96.7 | Very high | 48.2 Ų | 48.2 | 40 Ų | 40 | 29% | 0.292 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.9 | 169.3 | -179.5 | 0 | 0 | 0 | 0 | 109 | D3212 R3213 A3232 L3243 V3244 | D3212-V3230 WeakPolarHBondContact O-CA 3.31Å; R3213-V3230 HydrophobicContact CG-CG2 4.36Å; V3230-A3232 PolarHBondContact O-N 3.25Å; V3230-L3243 CarbonylContact O-C 3.36Å; V3230-L3243 VanDerWaalsContact O-CA 3.3Å; V3230-L3243 WeakPolarHBondContact O-CA 3.35Å; V3230-V3244 HydrophobicContact CB-CB 4.36Å; V3230-V3244 HydrophobicContact CB-CG2 4.05Å; V3230-V3244 HydrophobicContact CG1-CG2 3.98Å; V3230-V3244 PolarHBondContact O-N 3.08Å |
| 3231 | I | 98.2 | Very high | 96.8 | Very high | 1.4 Ų | 1.4 | 39.7 Ų | 39.7 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 121.1 | 179.6 | -59.6 | -179 | 0 | 0 | 0 | 109.8 | W3208 P3210 G3211 D3212 I3214 V3234 I3241 | W3208-I3231 HydrophobicContact CB-CD1 4.03Å; W3208-I3231 HydrophobicContact CE3-CD1 3.91Å; P3210-I3231 CarbonylContact C-O 3.51Å; P3210-I3231 WeakPolarHBondContact CA-O 3.31Å; G3211-I3231 PolarHBondContact N-O 2.97Å; D3212-I3231 HydrophobicContact CB-CD1 4.19Å; D3212-I3231 PolarHBondContact O-N 2.84Å; I3214-I3231 HydrophobicContact CG1-CG1 4.46Å; I3214-I3231 HydrophobicContact CG2-CD1 3.85Å; I3214-I3231 HydrophobicContact CG2-CG1 4.09Å; I3231-V3234 HydrophobicContact CG2-CG2 3.71Å; I3231-I3241 HydrophobicContact CB-CG2 4.39Å; I3231-I3241 HydrophobicContact CD1-CD1 4.04Å; I3231-I3241 HydrophobicContact CD1-CG2 4.38Å; I3231-I3241 HydrophobicContact CG1-CG2 3.86Å; I3231-I3241 HydrophobicContact CG2-CG2 4.12Å |
| 3232 | A | 97.9 | Very high | 96.9 | Very high | 47 Ų | 47 | 40.7 Ų | 40.7 | 39% | 0.388 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | -42.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P3210 V3230 T3242 V3244 | P3210-A3232 WeakPolarHBondContact CB-O 3.29Å; V3230-A3232 PolarHBondContact O-N 3.25Å; A3232-T3242 WeakPolarHBondContact CA-O 3.37Å; A3232-T3242 WeakPolarHBondContact CB-O 3.4Å; A3232-T3242 PolarHBondContact N-O 2.89Å; A3232-V3244 HydrophobicContact CB-CG2 3.87Å |
| 3233 | S | 97.6 | Very high | 97 | Very high | 54.6 Ų | 54.6 | 39.5 Ų | 39.5 | 38% | 0.382 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 159.6 | 177.3 | 66 | 0 | 0 | 0 | 0 | 112.1 | T3242 | S3233-T3242 PolarHBondContact N-O 2.82Å; S3233-T3242 VanDerWaalsContact N-O 3.15Å; S3233-T3242 PolarHBondContact O-N 2.83Å; S3233-T3242 WeakPolarHBondContact OG-CB 3.42Å; S3233-T3242 PolarHBondContact OG-OG1 2.79Å |
| 3234 | V | 97.1 | Very high | 97.2 | Very high | 24.2 Ų | 24.2 | 43.3 Ų | 43.3 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 132.2 | 174 | -175.1 | 0 | 0 | 0 | 0 | 108 | V3205 I3231 R3238 I3240 I3241 | V3205-V3234 HydrophobicContact CG2-CG1 4.37Å; I3231-V3234 HydrophobicContact CG2-CG2 3.71Å; V3234-R3238 HydrophobicContact CG1-CB 4.49Å; V3234-I3240 WeakPolarHBondContact CA-O 3.25Å; V3234-I3241 HydrophobicContact CG2-CG1 4.47Å |
| 3235 | S | 96.9 | Very high | 97.2 | Very high | 31 Ų | 31 | 45.1 Ų | 45.1 | 22% | 0.217 | 26% | 0.264 | C | S | . | . | trans | -61.8 | 162.9 | 178.6 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | D3237 R3238 I3239 I3240 | S3235-D3237 VanDerWaalsContact C-N 3.3Å; S3235-D3237 VanDerWaalsContact CB-OD1 3.23Å; S3235-D3237 WeakPolarHBondContact CB-OD1 3.33Å; S3235-D3237 PolarHBondContact O-N 3.07Å; S3235-D3237 PolarHBondContact OG-OD1 2.9Å; S3235-R3238 WeakPolarHBondContact O-CA 3.26Å; S3235-R3238 PolarHBondContact O-N 2.99Å; S3235-I3239 PolarHBondContact OG-N 2.78Å; S3235-I3240 PolarHBondContact N-O 3.12Å; S3235-I3240 WeakPolarHBondContact OG-CA 3.25Å; S3235-I3240 WeakPolarHBondContact OG-CB 3.27Å; S3235-I3240 PolarHBondContact OG-N 3.08Å; S3235-I3240 PolarHBondContact OG-O 2.99Å | ||
| 3236 | S | 94.9 | Very high | 97.3 | Very high | 122.8 Ų | 122.8 | 49.8 Ų | 49.8 | 86% | 0.859 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -34.2 | -178.8 | 50.8 | 0 | 0 | 0 | 0 | 113.7 | R3238 | S3236-R3238 VanDerWaalsContact C-N 3.25Å; S3236-R3238 PolarHBondContact O-N 2.89Å |
| 3237 | D | 95.1 | Very high | 97.3 | Very high | 81.6 Ų | 81.6 | 49.8 Ų | 49.8 | 44% | 0.436 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -2.6 | 175 | 60.6 | 1.1 | 0 | 0 | 0 | 113.3 | S3235 I3239 | S3235-D3237 VanDerWaalsContact C-N 3.3Å; S3235-D3237 VanDerWaalsContact CB-OD1 3.23Å; S3235-D3237 WeakPolarHBondContact CB-OD1 3.33Å; S3235-D3237 PolarHBondContact O-N 3.07Å; S3235-D3237 PolarHBondContact OG-OD1 2.9Å; D3237-I3239 HydrophobicContact CB-CG1 4.24Å; D3237-I3239 PolarHBondContact O-N 3.07Å; D3237-I3239 VanDerWaalsContact OD1-CG1 3.29Å; D3237-I3239 WeakPolarHBondContact OD1-CG1 3.21Å; D3237-I3239 PolarHBondContact OD1-N 3.19Å; D3237-I3239 WeakPolarHBondContact OD2-CD1 3.26Å; D3237-I3239 VanDerWaalsContact OD2-CG1 3.24Å; D3237-I3239 WeakPolarHBondContact OD2-CG1 3.39Å |
| 3238 | R | 96.5 | Very high | 97.4 | Very high | 96 Ų | 96 | 54.1 Ų | 54.1 | 36% | 0.362 | 31% | 0.306 | S | S | . | . | S | Bend | trans | 63.4 | 15.4 | 176.5 | -52 | -64.4 | -177.1 | 170.2 | 1.8 | 115.3 | P3204 V3205 V3234 S3235 S3236 | P3204-R3238 CarbonylContact C-O 3.55Å; P3204-R3238 WeakPolarHBondContact CA-O 3.27Å; P3204-R3238 HydrophobicContact CB-CB 4.06Å; V3205-R3238 VanDerWaalsContact CG2-O 3.27Å; V3205-R3238 WeakPolarHBondContact CG2-O 3.32Å; V3205-R3238 PolarHBondContact N-O 3.09Å; V3234-R3238 HydrophobicContact CG1-CB 4.49Å; S3235-R3238 WeakPolarHBondContact O-CA 3.26Å; S3235-R3238 PolarHBondContact O-N 2.99Å; S3236-R3238 VanDerWaalsContact C-N 3.25Å; S3236-R3238 PolarHBondContact O-N 2.89Å |
| 3239 | I | 96.8 | Very high | 97.3 | Very high | 43.2 Ų | 43.2 | 55.7 Ų | 55.7 | 22% | 0.222 | 31% | 0.307 | C | S | . | . | trans | -106.8 | -6.2 | 179 | 58.4 | 165.4 | 0 | 0 | 0 | 113.6 | L3201 P3204 S3235 D3237 | L3201-I3239 PolarHBondContact N-O 3.06Å; P3204-I3239 HydrophobicContact CB-CG2 3.98Å; S3235-I3239 PolarHBondContact OG-N 2.78Å; D3237-I3239 HydrophobicContact CB-CG1 4.24Å; D3237-I3239 PolarHBondContact O-N 3.07Å; D3237-I3239 VanDerWaalsContact OD1-CG1 3.29Å; D3237-I3239 WeakPolarHBondContact OD1-CG1 3.21Å; D3237-I3239 PolarHBondContact OD1-N 3.19Å; D3237-I3239 WeakPolarHBondContact OD2-CD1 3.26Å; D3237-I3239 VanDerWaalsContact OD2-CG1 3.24Å; D3237-I3239 WeakPolarHBondContact OD2-CG1 3.39Å | ||
| 3240 | I | 97.8 | Very high | 97.3 | Very high | 39.4 Ų | 39.4 | 57.9 Ų | 57.9 | 20% | 0.202 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.6 | 177 | -49.9 | 175.9 | 0 | 0 | 0 | 109.3 | Q3198 L3199 V3234 S3235 | Q3198-I3240 HydrophobicContact CB-CG2 4.46Å; L3199-I3240 WeakPolarHBondContact O-CA 3.36Å; V3234-I3240 WeakPolarHBondContact CA-O 3.25Å; S3235-I3240 PolarHBondContact N-O 3.12Å; S3235-I3240 WeakPolarHBondContact OG-CA 3.25Å; S3235-I3240 WeakPolarHBondContact OG-CB 3.27Å; S3235-I3240 PolarHBondContact OG-N 3.08Å; S3235-I3240 PolarHBondContact OG-O 2.99Å |
| 3241 | I | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 133.1 | 171.5 | -68 | 178.4 | 0 | 0 | 0 | 108.2 | Q3198 L3199 L3201 V3205 W3208 I3214 I3231 V3234 L3243 | Q3198-I3241 CarbonylContact C-O 3.4Å; Q3198-I3241 WeakPolarHBondContact CA-O 3.21Å; L3199-I3241 HydrophobicContact CB-CB 4.31Å; L3199-I3241 PolarHBondContact N-O 2.87Å; L3199-I3241 PolarHBondContact O-N 3.08Å; L3201-I3241 HydrophobicContact CD1-CD1 3.63Å; L3201-I3241 HydrophobicContact CD1-CG1 4.06Å; L3201-I3241 HydrophobicContact CG-CD1 4.45Å; V3205-I3241 HydrophobicContact CG2-CD1 4.22Å; V3205-I3241 HydrophobicContact CG2-CG1 4.39Å; W3208-I3241 HydrophobicContact CD2-CD1 4.43Å; W3208-I3241 HydrophobicContact CE3-CD1 3.3Å; W3208-I3241 HydrophobicContact CZ3-CD1 3.51Å; W3208-I3241 VanDerWaalsContact CZ3-CD1 3.46Å; I3214-I3241 HydrophobicContact CD1-CD1 4.35Å; I3214-I3241 HydrophobicContact CD1-CG2 4.39Å; I3231-I3241 HydrophobicContact CB-CG2 4.39Å; I3231-I3241 HydrophobicContact CD1-CD1 4.04Å; I3231-I3241 HydrophobicContact CD1-CG2 4.38Å; I3231-I3241 HydrophobicContact CG1-CG2 3.86Å; I3231-I3241 HydrophobicContact CG2-CG2 4.12Å; V3234-I3241 HydrophobicContact CG2-CG1 4.47Å; I3241-L3243 HydrophobicContact CG2-CD2 3.97Å |
| 3242 | T | 98.2 | Very high | 97.1 | Very high | 26.2 Ų | 26.2 | 55.9 Ų | 55.9 | 16% | 0.161 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 126.6 | 165 | -53.7 | 0 | 0 | 0 | 0 | 108.6 | N3197 Q3198 A3232 S3233 | N3197-T3242 CarbonylContact O-C 3.5Å; N3197-T3242 VanDerWaalsContact O-CA 3.3Å; N3197-T3242 WeakPolarHBondContact O-CA 3.32Å; Q3198-T3242 HydrophobicContact CG-CG2 4.33Å; A3232-T3242 WeakPolarHBondContact CA-O 3.37Å; A3232-T3242 WeakPolarHBondContact CB-O 3.4Å; A3232-T3242 PolarHBondContact N-O 2.89Å; S3233-T3242 PolarHBondContact N-O 2.82Å; S3233-T3242 VanDerWaalsContact N-O 3.15Å; S3233-T3242 PolarHBondContact O-N 2.83Å; S3233-T3242 WeakPolarHBondContact OG-CB 3.42Å; S3233-T3242 PolarHBondContact OG-OG1 2.79Å |
| 3243 | L | 98.1 | Very high | 96.9 | Very high | 4.4 Ų | 4.4 | 54.3 Ų | 54.3 | 2% | 0.023 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 152.9 | 176.3 | -61.3 | -179.5 | 0 | 0 | 0 | 111.4 | N3197 L3199 I3214 I3216 V3230 I3241 D3245 L3247 | N3197-L3243 HydrophobicContact CB-CB 4.46Å; N3197-L3243 PolarHBondContact O-N 3.33Å; L3199-L3243 HydrophobicContact CD1-CD1 4.14Å; L3199-L3243 HydrophobicContact CD1-CD2 4.33Å; L3199-L3243 HydrophobicContact CD1-CG 4.32Å; L3199-L3243 HydrophobicContact CD2-CD1 4.48Å; L3199-L3243 HydrophobicContact CG-CD1 4.29Å; L3199-L3243 HydrophobicContact CG-CG 4.4Å; I3214-L3243 HydrophobicContact CD1-CD2 3.77Å; I3214-L3243 HydrophobicContact CG1-CD2 4.2Å; I3216-L3243 HydrophobicContact CD1-CD1 4.47Å; V3230-L3243 CarbonylContact O-C 3.36Å; V3230-L3243 VanDerWaalsContact O-CA 3.3Å; V3230-L3243 WeakPolarHBondContact O-CA 3.35Å; I3241-L3243 HydrophobicContact CG2-CD2 3.97Å; L3243-D3245 VanDerWaalsContact CB-O 3.23Å; L3243-D3245 WeakPolarHBondContact CB-O 3.23Å; L3243-L3247 HydrophobicContact CD1-CD2 3.8Å; L3243-L3247 HydrophobicContact CD1-CG 4.31Å |
| 3244 | V | 98 | Very high | 96.8 | Very high | 85.6 Ų | 85.6 | 52.6 Ų | 52.6 | 52% | 0.519 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -64 | -51.6 | 171.7 | 174.2 | 0 | 0 | 0 | 0 | 110 | V3230 A3232 | V3230-V3244 HydrophobicContact CB-CB 4.36Å; V3230-V3244 HydrophobicContact CB-CG2 4.05Å; V3230-V3244 HydrophobicContact CG1-CG2 3.98Å; V3230-V3244 PolarHBondContact O-N 3.08Å; A3232-V3244 HydrophobicContact CB-CG2 3.87Å |
| 3245 | D | 97.3 | Very high | 96.6 | Very high | 108.8 Ų | 108.8 | 57.3 Ų | 57.3 | 58% | 0.582 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -97.4 | 155.2 | 179.2 | -58.7 | -54.7 | 0 | 0 | 0 | 110.8 | L3243 | L3243-D3245 VanDerWaalsContact CB-O 3.23Å; L3243-D3245 WeakPolarHBondContact CB-O 3.23Å |
| 3246 | K | 97.9 | Very high | 96.4 | Very high | 143.2 Ų | 143.2 | 59.5 Ų | 59.5 | 62% | 0.623 | 31% | 0.31 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 145.8 | 172.5 | -69.5 | 177.6 | 167.3 | -159.2 | 0 | 110 | G3195 D3196 N3197 | G3195-K3246 VanDerWaalsContact O-CD 3.24Å; G3195-K3246 WeakPolarHBondContact O-CD 3.35Å; G3195-K3246 WeakPolarHBondContact O-CE 3.46Å; G3195-K3246 WeakPolarHBondContact O-CG 3.22Å; D3196-K3246 WeakPolarHBondContact O-CA 3.35Å; N3197-K3246 HydrophobicContact CB-CG 4.24Å |
| 3247 | L | 97.9 | Very high | 96.4 | Very high | 6.8 Ų | 6.8 | 57.2 Ų | 57.2 | 4% | 0.036 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 138.9 | 173.3 | -65.3 | 170.1 | 0 | 0 | 0 | 110.6 | A3192 G3195 D3196 L3199 I3216 E3227 L3243 | A3192-L3247 HydrophobicContact CB-CD1 3.51Å; G3195-L3247 PolarHBondContact N-O 2.92Å; D3196-L3247 PolarHBondContact O-N 3.12Å; L3199-L3247 HydrophobicContact CD2-CD1 3.82Å; L3199-L3247 HydrophobicContact CD2-CD2 4.43Å; L3199-L3247 HydrophobicContact CD2-CG 4.49Å; I3216-L3247 HydrophobicContact CD1-CD2 4.44Å; E3227-L3247 HydrophobicContact CG-CD2 4.28Å; L3243-L3247 HydrophobicContact CD1-CD2 3.8Å; L3243-L3247 HydrophobicContact CD1-CG 4.31Å |
| 3248 | I | 97.7 | Very high | 96.4 | Very high | 115 Ų | 115 | 54.2 Ų | 54.2 | 59% | 0.59 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -84.7 | -34.8 | 174.8 | -59 | 172.2 | 0 | 0 | 0 | 109.7 | A3194 E3227 | A3194-I3248 WeakPolarHBondContact CB-O 3.31Å; E3227-I3248 PolarHBondContact OE1-N 3.14Å; E3227-I3248 WeakPolarHBondContact OE2-CB 3.5Å; E3227-I3248 WeakPolarHBondContact OE2-CG1 3.43Å; E3227-I3248 PolarHBondContact OE2-N 3.25Å |
| 3249 | Y | 96.5 | Very high | 96.2 | Very high | 82.4 Ų | 82.4 | 51.7 Ų | 51.7 | 32% | 0.323 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -117 | 161.5 | -175.3 | -54.1 | -67.9 | 0 | 0 | 0 | 112.1 | A3194 Q3225 E3227 H3251 | A3194-Y3249 PolarHBondContact N-O 2.85Å; Q3225-Y3249 HydrophobicContact CB-CD1 4.07Å; Q3225-Y3249 HydrophobicContact CB-CD2 3.9Å; Q3225-Y3249 HydrophobicContact CB-CE1 4.43Å; Q3225-Y3249 HydrophobicContact CB-CE2 4.26Å; Q3225-Y3249 HydrophobicContact CB-CG 3.79Å; Q3225-Y3249 HydrophobicContact CG-CD1 3.68Å; Q3225-Y3249 HydrophobicContact CG-CD2 4.27Å; Q3225-Y3249 HydrophobicContact CG-CE1 3.75Å; Q3225-Y3249 HydrophobicContact CG-CE2 4.32Å; Q3225-Y3249 HydrophobicContact CG-CG 3.95Å; Q3225-Y3249 WeakPolarHBondContact O-CD2 3.41Å; E3227-Y3249 PolarHBondContact OE1-N 3.25Å; Y3249-H3251 PolarHBondContact O-CD2 3.09Å |
| 3250 | T | 96.4 | Very high | 95.9 | Very high | 54.6 Ų | 54.6 | 56.5 Ų | 56.5 | 34% | 0.335 | 31% | 0.305 | S | S | . | . | trans | -86.9 | 129.4 | 172.5 | -65.2 | 0 | 0 | 0 | 0 | 109.4 | T3191 A3192 A3194 T3219 V3252 | T3191-T3250 HydrophobicContact CG2-CG2 3.86Å; A3192-T3250 CarbonylContact O-C 3.55Å; A3192-T3250 WeakPolarHBondContact O-CA 3.41Å; A3194-T3250 PolarHBondContact N-OG1 3.01Å; A3194-T3250 VanDerWaalsContact N-OG1 3.07Å; T3219-T3250 PolarHBondContact OG1-O 3.03Å; T3250-V3252 HydrophobicContact CG2-CG2 4.19Å | ||
| 3251 | H | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | B | Isolated β-bridge | trans | -115.8 | 110.2 | 178.7 | -64.4 | -82.1 | 0 | 0 | 0 | 109.5 | L3188 T3191 A3192 I3216 A3217 Q3225 E3227 Y3249 A3267 | L3188-H3251 HydrophobicContact CD1-CB 3.74Å; L3188-H3251 WeakPolarHBondContact CD1-O 3.22Å; T3191-H3251 WeakPolarHBondContact CA-O 3.23Å; A3192-H3251 PolarHBondContact N-O 3.16Å; A3192-H3251 PolarHBondContact O-N 3.1Å; I3216-H3251 HydrophobicContact CG2-CB 4.01Å; I3216-H3251 VanDerWaalsContact CG2-CG 3.44Å; I3216-H3251 VanDerWaalsContact CG2-ND1 3.35Å; I3216-H3251 WeakPolarHBondContact CG2-ND1 3.35Å; A3217-H3251 PolarHBondContact O-CE1 3.02Å; A3217-H3251 PolarHBondContact O-ND1 3.02Å; Q3225-H3251 PolarHBondContact O-CE1 3.06Å; E3227-H3251 IonicContact OE1-CD2 3.34Å; E3227-H3251 IonicContact OE1-NE2 3.49Å; E3227-H3251 PolarHBondContact OE1-NE2 3.12Å; E3227-H3251 VanDerWaalsContact OE1-NE2 3.15Å; Y3249-H3251 PolarHBondContact O-CD2 3.09Å; H3251-A3267 HydrophobicContact CB-CB 3.69Å |
| 3252 | V | 95.5 | Very high | 95.6 | Very high | 6.8 Ų | 6.8 | 62 Ų | 62 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | trans | -83.5 | 142 | -167.1 | 174.9 | 0 | 0 | 0 | 0 | 112.6 | T3191 T3219 T3250 Y3254 G3266 A3267 I3551 | T3191-V3252 HydrophobicContact CG2-CG2 4.38Å; T3219-V3252 HydrophobicContact CG2-CB 4.42Å; T3219-V3252 PolarHBondContact OG1-N 3.13Å; T3250-V3252 HydrophobicContact CG2-CG2 4.19Å; V3252-Y3254 HydrophobicContact CB-CE2 4.18Å; V3252-Y3254 HydrophobicContact CG1-CD2 3.82Å; V3252-Y3254 HydrophobicContact CG1-CE2 3.69Å; V3252-Y3254 VanDerWaalsContact CG1-CE2 3.46Å; V3252-Y3254 HydrophobicContact CG1-CG 4.39Å; V3252-G3266 CarbonylContact O-C 3.57Å; V3252-G3266 WeakPolarHBondContact O-CA 3.25Å; V3252-A3267 PolarHBondContact O-N 2.88Å; V3252-A3267 VanDerWaalsContact O-N 3.09Å; V3252-I3551 HydrophobicContact CB-CG2 4.25Å; V3252-I3551 HydrophobicContact CG1-CB 4.25Å; V3252-I3551 HydrophobicContact CG1-CG1 4.33Å; V3252-I3551 HydrophobicContact CG1-CG2 3.4Å; V3252-I3551 HydrophobicContact CG2-CG2 4.1Å | ||
| 3253 | A | 95.3 | Very high | 95.5 | Very high | 14.2 Ų | 14.2 | 60.7 Ų | 60.7 | 12% | 0.117 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 125 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | L3188 L3190 T3191 L3265 | L3188-A3253 HydrophobicContact CB-CB 4.26Å; L3188-A3253 WeakPolarHBondContact O-CB 3.42Å; L3190-A3253 VanDerWaalsContact C-CB 3.45Å; T3191-A3253 PolarHBondContact OG1-N 3.3Å; T3191-A3253 PolarHBondContact OG1-O 2.92Å; A3253-L3265 CarbonylContact C-O 3.56Å |
| 3254 | Y | 94 | Very high | 95.3 | Very high | 19.4 Ų | 19.4 | 64.6 Ų | 64.6 | 8% | 0.076 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.7 | 178.9 | -104.5 | -99.2 | 0 | 0 | 0 | 111.4 | V3252 Q3256 Y3258 F3263 L3264 L3265 Y3490 V3513 D3514 S3549 I3551 Q3552 | V3252-Y3254 HydrophobicContact CB-CE2 4.18Å; V3252-Y3254 HydrophobicContact CG1-CD2 3.82Å; V3252-Y3254 HydrophobicContact CG1-CE2 3.69Å; V3252-Y3254 VanDerWaalsContact CG1-CE2 3.46Å; V3252-Y3254 HydrophobicContact CG1-CG 4.39Å; Y3254-Q3256 HydrophobicContact CD1-CB 4.12Å; Y3254-Q3256 HydrophobicContact CE1-CB 3.26Å; Y3254-Q3256 HydrophobicContact CE1-CG 4.27Å; Y3254-Q3256 HydrophobicContact CE2-CB 4.29Å; Y3254-Q3256 VanDerWaalsContact CZ-CB 3.4Å; Y3254-Q3256 VanDerWaalsContact OH-CB 3.27Å; Y3254-Q3256 WeakPolarHBondContact OH-CB 3.14Å; Y3254-Q3256 WeakPolarHBondContact OH-CG 3.33Å; Y3254-Y3258 HydrophobicContact CE1-CE2 4.26Å; Y3254-Y3258 PolarHBondContact OH-OH 2.89Å; Y3254-F3263 AromaticContact CD1-CD1 3.78Å; Y3254-F3263 HydrophobicContact CD1-CD1 3.78Å; Y3254-F3263 AromaticContact CD1-CE1 3.79Å; Y3254-F3263 HydrophobicContact CD1-CE1 3.95Å; Y3254-F3263 HydrophobicContact CD2-CD1 4.33Å; Y3254-F3263 AromaticContact CD2-CE1 3.87Å; Y3254-F3263 HydrophobicContact CD2-CE1 4.01Å; Y3254-F3263 AromaticContact CE1-CD1 3.95Å; Y3254-F3263 HydrophobicContact CE1-CD1 4.3Å; Y3254-F3263 HydrophobicContact CE1-CE1 4.15Å; Y3254-F3263 HydrophobicContact CE2-CE1 4.2Å; Y3254-F3263 AromaticContact CG-CD1 3.75Å; Y3254-F3263 HydrophobicContact CG-CD1 3.75Å; Y3254-F3263 AromaticContact CG-CE1 3.71Å; Y3254-F3263 HydrophobicContact CG-CE1 3.71Å; Y3254-L3264 WeakPolarHBondContact O-CA 3.41Å; Y3254-L3265 WeakPolarHBondContact CA-O 3.28Å; Y3254-L3265 WeakPolarHBondContact CB-O 3.45Å; Y3254-L3265 HydrophobicContact CD2-CD1 3.51Å; Y3254-L3265 HydrophobicContact CD2-CG 4.14Å; Y3254-L3265 HydrophobicContact CE2-CD1 4.12Å; Y3254-L3265 HydrophobicContact CG-CD1 4.28Å; Y3254-L3265 HydrophobicContact CG-CG 4.42Å; Y3254-L3265 PolarHBondContact N-O 3.19Å; Y3254-L3265 PolarHBondContact O-N 2.93Å; Y3254-L3265 VanDerWaalsContact O-N 3.15Å; Y3254-L3265 VanDerWaalsContact O-O 3.12Å; Y3254-Y3490 AromaticContact CE2-CD2 3.75Å; Y3254-Y3490 HydrophobicContact CE2-CD2 3.88Å; Y3254-Y3490 AromaticContact CE2-CE2 3.81Å; Y3254-Y3490 HydrophobicContact CE2-CE2 3.89Å; Y3254-Y3490 HydrophobicContact CE2-CG 4.32Å; Y3254-V3513 HydrophobicContact CD1-CG1 4.45Å; Y3254-V3513 HydrophobicContact CE1-CG1 3.98Å; Y3254-D3514 VanDerWaalsContact CE1-OD2 3.25Å; Y3254-D3514 WeakPolarHBondContact CE1-OD2 3.35Å; Y3254-D3514 PolarHBondContact OH-OD2 2.56Å; Y3254-S3549 PolarHBondContact OH-O 3.38Å; Y3254-I3551 HydrophobicContact CD1-CD1 3.63Å; Y3254-I3551 HydrophobicContact CD1-CG1 3.97Å; Y3254-I3551 HydrophobicContact CD2-CD1 3.9Å; Y3254-I3551 HydrophobicContact CD2-CG1 3.3Å; Y3254-I3551 HydrophobicContact CE1-CB 4.35Å; Y3254-I3551 HydrophobicContact CE1-CD1 4.13Å; Y3254-I3551 HydrophobicContact CE1-CG1 4.31Å; Y3254-I3551 HydrophobicContact CE2-CD1 4.35Å; Y3254-I3551 HydrophobicContact CE2-CG1 3.75Å; Y3254-I3551 HydrophobicContact CG-CD1 4.05Å; Y3254-I3551 VanDerWaalsContact CG-CD1 3.45Å; Y3254-I3551 HydrophobicContact CG-CG1 3.41Å; Y3254-I3551 VanDerWaalsContact CG-CG1 3.41Å; Y3254-Q3552 VanDerWaalsContact OH-CG 3.24Å; Y3254-Q3552 WeakPolarHBondContact OH-CG 3.22Å; Y3254-Q3552 PolarHBondContact OH-NE2 3.03Å |
| 3255 | N | 93.1 | Very high | 95.1 | Very high | 122.6 Ų | 122.6 | 61.3 Ų | 61.3 | 66% | 0.656 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136 | 74.9 | 174.5 | -176.2 | 5 | 0 | 0 | 0 | 109.3 | L3264 | N3255-L3264 HydrophobicContact CB-CD2 4.07Å; N3255-L3264 WeakPolarHBondContact OD1-CD2 3.36Å |
| 3256 | Q | 93.5 | Very high | 95 | Very high | 76.6 Ų | 76.6 | 56.1 Ų | 56.1 | 36% | 0.358 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 145.4 | -176.6 | -102.5 | -22.3 | -2.1 | 0 | 0 | 111.1 | Y3254 Y3258 F3263 I3551 | Y3254-Q3256 HydrophobicContact CD1-CB 4.12Å; Y3254-Q3256 HydrophobicContact CE1-CB 3.26Å; Y3254-Q3256 HydrophobicContact CE1-CG 4.27Å; Y3254-Q3256 HydrophobicContact CE2-CB 4.29Å; Y3254-Q3256 VanDerWaalsContact CZ-CB 3.4Å; Y3254-Q3256 VanDerWaalsContact OH-CB 3.27Å; Y3254-Q3256 WeakPolarHBondContact OH-CB 3.14Å; Y3254-Q3256 WeakPolarHBondContact OH-CG 3.33Å; Q3256-Y3258 HydrophobicContact CB-CD2 4.27Å; Q3256-Y3258 HydrophobicContact CB-CE2 3.69Å; Q3256-Y3258 VanDerWaalsContact CB-CE2 3.48Å; Q3256-Y3258 HydrophobicContact CG-CD2 4.25Å; Q3256-Y3258 HydrophobicContact CG-CE1 4.13Å; Q3256-Y3258 HydrophobicContact CG-CE2 4.14Å; Q3256-F3263 PolarHBondContact N-O 3.06Å; Q3256-F3263 VanDerWaalsContact N-O 3.15Å; Q3256-F3263 PolarHBondContact O-N 2.94Å; Q3256-I3551 HydrophobicContact CG-CD1 3.84Å |
| 3257 | T | 95.4 | Very high | 95 | Very high | 74.8 Ų | 74.8 | 49.3 Ų | 49.3 | 46% | 0.459 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 123.4 | 172.6 | -59 | 0 | 0 | 0 | 0 | 109.1 | G3259 H3261 K3262 | T3257-G3259 VanDerWaalsContact CG2-O 3.26Å; T3257-G3259 WeakPolarHBondContact CG2-O 3.15Å; T3257-H3261 CarbonylContact C-O 3.56Å; T3257-H3261 WeakPolarHBondContact CA-O 3.39Å; T3257-K3262 HydrophobicContact CG2-CG 4.31Å |
| 3258 | Y | 94.9 | Very high | 95 | Very high | 18.4 Ų | 18.4 | 49 Ų | 49 | 7% | 0.072 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 99.5 | 176.8 | -60.9 | -79.2 | 0 | 0 | 0 | 108.6 | Y3254 Q3256 N3260 H3261 F3263 L3544 V3546 S3549 A3621 | Y3254-Y3258 HydrophobicContact CE1-CE2 4.26Å; Y3254-Y3258 PolarHBondContact OH-OH 2.89Å; Q3256-Y3258 HydrophobicContact CB-CD2 4.27Å; Q3256-Y3258 HydrophobicContact CB-CE2 3.69Å; Q3256-Y3258 VanDerWaalsContact CB-CE2 3.48Å; Q3256-Y3258 HydrophobicContact CG-CD2 4.25Å; Q3256-Y3258 HydrophobicContact CG-CE1 4.13Å; Q3256-Y3258 HydrophobicContact CG-CE2 4.14Å; Y3258-N3260 PolarHBondContact O-N 2.98Å; Y3258-N3260 VanDerWaalsContact O-N 3.12Å; Y3258-H3261 PolarHBondContact N-O 3.02Å; Y3258-H3261 PolarHBondContact O-N 2.97Å; Y3258-F3263 HydrophobicContact CD2-CB 4.2Å; Y3258-F3263 HydrophobicContact CE2-CB 4.29Å; Y3258-L3544 HydrophobicContact CD2-CD1 4.27Å; Y3258-L3544 HydrophobicContact CD2-CD2 3.81Å; Y3258-L3544 HydrophobicContact CG-CD1 4.09Å; Y3258-L3544 HydrophobicContact CG-CD2 4.43Å; Y3258-V3546 HydrophobicContact CD1-CG2 4.43Å; Y3258-V3546 HydrophobicContact CD2-CG2 3.94Å; Y3258-V3546 HydrophobicContact CE1-CG1 4.29Å; Y3258-V3546 HydrophobicContact CE1-CG2 4.33Å; Y3258-V3546 HydrophobicContact CE2-CG1 4.49Å; Y3258-V3546 HydrophobicContact CE2-CG2 3.82Å; Y3258-V3546 HydrophobicContact CG-CG2 4.23Å; Y3258-S3549 WeakPolarHBondContact OH-CB 3.19Å; Y3258-A3621 HydrophobicContact CD1-CB 3.46Å; Y3258-A3621 VanDerWaalsContact CD1-CB 3.46Å; Y3258-A3621 HydrophobicContact CE1-CB 3.87Å; Y3258-A3621 HydrophobicContact CG-CB 4.23Å |
| 3259 | G | 91.2 | Very high | 95 | Very high | 43.6 Ų | 43.6 | 43.6 Ų | 43.6 | 45% | 0.449 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | -116 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | T3257 I3656 | T3257-G3259 VanDerWaalsContact CG2-O 3.26Å; T3257-G3259 WeakPolarHBondContact CG2-O 3.15Å; G3259-I3656 VanDerWaalsContact N-CD1 3.33Å |
| 3260 | N | 91.7 | Very high | 95 | Very high | 144.6 Ų | 144.6 | 39.6 Ų | 39.6 | 77% | 0.773 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -7.9 | 178.4 | -66.7 | -14.1 | 0 | 0 | 0 | 113.4 | Y3258 | Y3258-N3260 PolarHBondContact O-N 2.98Å; Y3258-N3260 VanDerWaalsContact O-N 3.12Å |
| 3261 | H | 94.6 | Very high | 95.1 | Very high | 18 Ų | 18 | 37 Ų | 37 | 8% | 0.083 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.6 | -178.8 | -62.4 | -82.8 | 0 | 0 | 0 | 110.5 | T3257 Y3258 N3542 L3544 T3619 | T3257-H3261 CarbonylContact C-O 3.56Å; T3257-H3261 WeakPolarHBondContact CA-O 3.39Å; Y3258-H3261 PolarHBondContact N-O 3.02Å; Y3258-H3261 PolarHBondContact O-N 2.97Å; H3261-N3542 PolarHBondContact CE1-O 2.91Å; H3261-N3542 VanDerWaalsContact CE1-O 3.31Å; H3261-L3544 HydrophobicContact CB-CB 4.2Å; H3261-L3544 HydrophobicContact CB-CD2 3.95Å; H3261-L3544 HydrophobicContact CB-CG 4.46Å; H3261-T3619 PolarHBondContact CD2-OG1 2.82Å; H3261-T3619 VanDerWaalsContact CD2-OG1 3.29Å |
| 3262 | K | 94.2 | Very high | 95.1 | Very high | 135.2 Ų | 135.2 | 37.6 Ų | 37.6 | 59% | 0.588 | 20% | 0.204 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 116.5 | 171.5 | -65.1 | -176.3 | 178.4 | -178.4 | 0 | 108.5 | T3257 L3264 Q3511 | T3257-K3262 HydrophobicContact CG2-CG 4.31Å; K3262-L3264 HydrophobicContact CB-CD1 4.13Å; K3262-L3264 HydrophobicContact CB-CG 4.12Å; K3262-L3264 HydrophobicContact CD-CD1 4.24Å; K3262-Q3511 PolarHBondContact O-OE1 3.14Å |
| 3263 | F | 95.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 92.3 | 174.7 | -163.3 | -102.3 | 0 | 0 | 0 | 107.7 | Y3254 Q3256 Y3258 L3265 Q3488 Y3490 Q3511 V3513 L3544 I3551 | Y3254-F3263 AromaticContact CD1-CD1 3.78Å; Y3254-F3263 HydrophobicContact CD1-CD1 3.78Å; Y3254-F3263 AromaticContact CD1-CE1 3.79Å; Y3254-F3263 HydrophobicContact CD1-CE1 3.95Å; Y3254-F3263 HydrophobicContact CD2-CD1 4.33Å; Y3254-F3263 AromaticContact CD2-CE1 3.87Å; Y3254-F3263 HydrophobicContact CD2-CE1 4.01Å; Y3254-F3263 AromaticContact CE1-CD1 3.95Å; Y3254-F3263 HydrophobicContact CE1-CD1 4.3Å; Y3254-F3263 HydrophobicContact CE1-CE1 4.15Å; Y3254-F3263 HydrophobicContact CE2-CE1 4.2Å; Y3254-F3263 AromaticContact CG-CD1 3.75Å; Y3254-F3263 HydrophobicContact CG-CD1 3.75Å; Y3254-F3263 AromaticContact CG-CE1 3.71Å; Y3254-F3263 HydrophobicContact CG-CE1 3.71Å; Q3256-F3263 PolarHBondContact N-O 3.06Å; Q3256-F3263 VanDerWaalsContact N-O 3.15Å; Q3256-F3263 PolarHBondContact O-N 2.94Å; Y3258-F3263 HydrophobicContact CD2-CB 4.2Å; Y3258-F3263 HydrophobicContact CE2-CB 4.29Å; F3263-L3265 HydrophobicContact CD1-CD2 4.09Å; F3263-L3265 HydrophobicContact CD1-CG 4.41Å; F3263-L3265 HydrophobicContact CE1-CD1 4.38Å; F3263-L3265 HydrophobicContact CE1-CD2 3.36Å; F3263-L3265 VanDerWaalsContact CE1-CD2 3.44Å; F3263-L3265 HydrophobicContact CE1-CG 4.01Å; F3263-L3265 HydrophobicContact CE2-CD2 4.09Å; F3263-L3265 HydrophobicContact CZ-CD2 3.41Å; F3263-L3265 VanDerWaalsContact CZ-CD2 3.44Å; F3263-L3265 HydrophobicContact CZ-CG 4.3Å; F3263-Q3488 HydrophobicContact CD2-CG 4.41Å; F3263-Q3488 HydrophobicContact CE2-CB 3.98Å; F3263-Q3488 HydrophobicContact CE2-CG 4.2Å; F3263-Y3490 AromaticContact CZ-CD1 3.97Å; F3263-Y3490 HydrophobicContact CZ-CD1 4.09Å; F3263-Y3490 HydrophobicContact CZ-CG 4.28Å; F3263-Q3511 HydrophobicContact CD2-CB 3.86Å; F3263-Q3511 VanDerWaalsContact CD2-OE1 3.25Å; F3263-Q3511 HydrophobicContact CE2-CB 3.96Å; F3263-V3513 HydrophobicContact CD1-CB 4.41Å; F3263-V3513 HydrophobicContact CD1-CG1 4.36Å; F3263-V3513 HydrophobicContact CD1-CG2 4.02Å; F3263-V3513 HydrophobicContact CD2-CG2 3.61Å; F3263-V3513 HydrophobicContact CE1-CB 3.91Å; F3263-V3513 HydrophobicContact CE1-CG1 4.03Å; F3263-V3513 HydrophobicContact CE1-CG2 3.89Å; F3263-V3513 HydrophobicContact CE2-CB 4.11Å; F3263-V3513 HydrophobicContact CE2-CG2 3.5Å; F3263-V3513 VanDerWaalsContact CE2-CG2 3.47Å; F3263-V3513 HydrophobicContact CG-CG2 3.9Å; F3263-V3513 HydrophobicContact CZ-CB 3.75Å; F3263-V3513 HydrophobicContact CZ-CG1 4.34Å; F3263-V3513 HydrophobicContact CZ-CG2 3.64Å; F3263-L3544 HydrophobicContact CB-CD2 4.44Å; F3263-I3551 HydrophobicContact CE1-CD1 4.05Å |
| 3264 | L | 93.9 | Very high | 95.2 | Very high | 86.4 Ų | 86.4 | 40.3 Ų | 40.3 | 45% | 0.452 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 108.1 | -174.5 | -57.5 | 175.9 | 0 | 0 | 0 | 108.7 | Y3254 N3255 K3262 | Y3254-L3264 WeakPolarHBondContact O-CA 3.41Å; N3255-L3264 HydrophobicContact CB-CD2 4.07Å; N3255-L3264 WeakPolarHBondContact OD1-CD2 3.36Å; K3262-L3264 HydrophobicContact CB-CD1 4.13Å; K3262-L3264 HydrophobicContact CB-CG 4.12Å; K3262-L3264 HydrophobicContact CD-CD1 4.24Å |
| 3265 | L | 93.7 | Very high | 95.3 | Very high | 15.6 Ų | 15.6 | 40.6 Ų | 40.6 | 8% | 0.082 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 161.7 | 176.5 | 61.8 | 86.5 | 0 | 0 | 0 | 110.1 | A3253 Y3254 F3263 I3464 Q3488 Y3490 I3551 | A3253-L3265 CarbonylContact C-O 3.56Å; Y3254-L3265 WeakPolarHBondContact CA-O 3.28Å; Y3254-L3265 WeakPolarHBondContact CB-O 3.45Å; Y3254-L3265 HydrophobicContact CD2-CD1 3.51Å; Y3254-L3265 HydrophobicContact CD2-CG 4.14Å; Y3254-L3265 HydrophobicContact CE2-CD1 4.12Å; Y3254-L3265 HydrophobicContact CG-CD1 4.28Å; Y3254-L3265 HydrophobicContact CG-CG 4.42Å; Y3254-L3265 PolarHBondContact N-O 3.19Å; Y3254-L3265 PolarHBondContact O-N 2.93Å; Y3254-L3265 VanDerWaalsContact O-N 3.15Å; Y3254-L3265 VanDerWaalsContact O-O 3.12Å; F3263-L3265 HydrophobicContact CD1-CD2 4.09Å; F3263-L3265 HydrophobicContact CD1-CG 4.41Å; F3263-L3265 HydrophobicContact CE1-CD1 4.38Å; F3263-L3265 HydrophobicContact CE1-CD2 3.36Å; F3263-L3265 VanDerWaalsContact CE1-CD2 3.44Å; F3263-L3265 HydrophobicContact CE1-CG 4.01Å; F3263-L3265 HydrophobicContact CE2-CD2 4.09Å; F3263-L3265 HydrophobicContact CZ-CD2 3.41Å; F3263-L3265 VanDerWaalsContact CZ-CD2 3.44Å; F3263-L3265 HydrophobicContact CZ-CG 4.3Å; L3265-I3464 HydrophobicContact CB-CD1 4.43Å; L3265-I3464 HydrophobicContact CD2-CG2 4.35Å; L3265-Q3488 HydrophobicContact CD2-CB 4.29Å; L3265-Y3490 HydrophobicContact CD1-CD1 4.16Å; L3265-Y3490 HydrophobicContact CD1-CE1 3.48Å; L3265-Y3490 VanDerWaalsContact CD1-CE1 3.41Å; L3265-Y3490 HydrophobicContact CD1-CE2 4.44Å; L3265-Y3490 HydrophobicContact CD2-CD1 4.03Å; L3265-Y3490 HydrophobicContact CD2-CD2 4.31Å; L3265-Y3490 HydrophobicContact CD2-CE1 3.91Å; L3265-Y3490 HydrophobicContact CD2-CE2 4.18Å; L3265-Y3490 HydrophobicContact CD2-CG 4.17Å; L3265-Y3490 HydrophobicContact CG-CE1 4.4Å; L3265-I3551 HydrophobicContact CD2-CD1 4.17Å |
| 3266 | G | 95.1 | Very high | 95.6 | Very high | 0.8 Ų | 0.8 | 34.8 Ų | 34.8 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 159.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | T3187 L3188 V3252 E3268 | T3187-G3266 VanDerWaalsContact CB-O 3.31Å; T3187-G3266 WeakPolarHBondContact CB-O 3.38Å; T3187-G3266 VanDerWaalsContact CG2-O 3.24Å; T3187-G3266 WeakPolarHBondContact CG2-O 3.31Å; L3188-G3266 WeakPolarHBondContact O-CA 3.26Å; V3252-G3266 CarbonylContact O-C 3.57Å; V3252-G3266 WeakPolarHBondContact O-CA 3.25Å; G3266-E3268 PolarHBondContact O-N 2.86Å |
| 3267 | A | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -48.4 | 131.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T3187 L3188 I3216 T3219 H3251 V3252 | T3187-A3267 CarbonylContact C-O 3.56Å; T3187-A3267 WeakPolarHBondContact CA-O 3.36Å; L3188-A3267 HydrophobicContact CD1-CB 3.85Å; L3188-A3267 HydrophobicContact CG-CB 4.13Å; L3188-A3267 PolarHBondContact N-O 3.19Å; I3216-A3267 HydrophobicContact CG2-CB 4.4Å; T3219-A3267 HydrophobicContact CG2-CB 3.53Å; H3251-A3267 HydrophobicContact CB-CB 3.69Å; V3252-A3267 PolarHBondContact O-N 2.88Å; V3252-A3267 VanDerWaalsContact O-N 3.09Å | ||
| 3268 | E | 98.2 | Very high | 96 | Very high | 0.8 Ų | 0.8 | 29.5 Ų | 29.5 | 0% | 0.004 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 131.8 | -178.8 | -62 | 82.1 | 177.1 | 0 | 0 | 110.2 | W3185 T3187 I3216 A3217 G3266 L3397 S3436 H3466 | W3185-E3268 HydrophobicContact CE3-CB 4.3Å; W3185-E3268 HydrophobicContact CE3-CG 4.21Å; W3185-E3268 HydrophobicContact CZ3-CB 4.42Å; W3185-E3268 HydrophobicContact CZ3-CG 3.84Å; T3187-E3268 HydrophobicContact CG2-CG 4.4Å; I3216-E3268 WeakPolarHBondContact CA-O 3.41Å; A3217-E3268 HydrophobicContact CB-CB 4.05Å; A3217-E3268 PolarHBondContact N-O 2.94Å; G3266-E3268 PolarHBondContact O-N 2.86Å; E3268-L3397 HydrophobicContact CB-CD1 3.62Å; E3268-L3397 HydrophobicContact CB-CD2 3.86Å; E3268-L3397 HydrophobicContact CB-CG 4.41Å; E3268-L3397 HydrophobicContact CG-CD1 3.72Å; E3268-S3436 VanDerWaalsContact CD-OG 3.27Å; E3268-S3436 WeakPolarHBondContact OE1-CB 3.3Å; E3268-S3436 PolarHBondContact OE1-OG 3.18Å; E3268-H3466 IonicContact OE1-NE2 3.03Å; E3268-H3466 PolarHBondContact OE1-NE2 2.95Å; E3268-H3466 IonicContact OE2-CE1 3.27Å; E3268-H3466 IonicContact OE2-NE2 3.25Å; E3268-H3466 PolarHBondContact OE2-NE2 3.26Å |
| 3269 | V | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 117 | 179 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | W3185 T3186 L3188 L3199 L3201 W3208 I3214 V3215 I3216 | W3185-V3269 CarbonylContact C-O 3.52Å; W3185-V3269 WeakPolarHBondContact CA-O 3.39Å; W3185-V3269 WeakPolarHBondContact CB-O 3.32Å; T3186-V3269 PolarHBondContact N-O 2.68Å; T3186-V3269 PolarHBondContact O-N 3.1Å; L3188-V3269 HydrophobicContact CD2-CG2 3.72Å; L3188-V3269 HydrophobicContact CG-CG2 3.99Å; L3199-V3269 HydrophobicContact CD1-CG1 4.43Å; L3201-V3269 HydrophobicContact CD2-CB 4.25Å; L3201-V3269 HydrophobicContact CD2-CG1 4.37Å; L3201-V3269 HydrophobicContact CD2-CG2 4.05Å; W3208-V3269 HydrophobicContact CH2-CB 4.41Å; W3208-V3269 HydrophobicContact CH2-CG1 3.84Å; W3208-V3269 HydrophobicContact CZ3-CG1 3.81Å; I3214-V3269 HydrophobicContact CB-CG1 4.35Å; I3214-V3269 HydrophobicContact CD1-CG1 3.74Å; I3214-V3269 HydrophobicContact CG1-CG1 4.46Å; V3215-V3269 CarbonylContact O-C 3.52Å; V3215-V3269 VanDerWaalsContact O-CA 3.29Å; V3215-V3269 WeakPolarHBondContact O-CA 3.34Å; I3216-V3269 HydrophobicContact CG1-CG1 4.42Å; I3216-V3269 HydrophobicContact CG1-CG2 4.5Å; I3216-V3269 HydrophobicContact CG2-CG2 4.38Å |
| 3270 | G | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I3214 V3215 | I3214-G3270 CarbonylContact C-O 3.52Å; I3214-G3270 WeakPolarHBondContact CA-O 3.38Å; I3214-G3270 WeakPolarHBondContact CB-O 3.43Å; V3215-G3270 PolarHBondContact N-O 3.09Å; V3215-G3270 PolarHBondContact O-N 2.9Å |
| 3271 | L | 97.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 122.4 | 177.7 | -177.6 | 68.8 | 0 | 0 | 0 | 112.2 | K3181 R3184 W3208 D3212 I3214 K3273 | K3181-L3271 HydrophobicContact CD-CD2 3.99Å; K3181-L3271 HydrophobicContact CG-CD2 4.11Å; R3184-L3271 PolarHBondContact NH1-O 2.84Å; R3184-L3271 PolarHBondContact O-N 2.59Å; W3208-L3271 HydrophobicContact CD2-CB 4.22Å; W3208-L3271 HydrophobicContact CD2-CD1 4.03Å; W3208-L3271 HydrophobicContact CD2-CG 4.49Å; W3208-L3271 HydrophobicContact CE3-CD1 4.42Å; W3208-L3271 HydrophobicContact CG-CD1 4.07Å; W3208-L3271 HydrophobicContact CG-CD2 4.29Å; W3208-L3271 HydrophobicContact CH2-CB 4.42Å; W3208-L3271 HydrophobicContact CZ2-CB 3.8Å; D3212-L3271 HydrophobicContact CB-CD1 3.89Å; I3214-L3271 HydrophobicContact CG2-CD1 4.17Å; L3271-K3273 HydrophobicContact CD1-CB 4.27Å; L3271-K3273 HydrophobicContact CD2-CB 4.14Å; L3271-K3273 HydrophobicContact CG-CB 3.95Å; L3271-K3273 PolarHBondContact O-N 3.16Å |
| 3272 | I | 96.8 | Very high | 96.6 | Very high | 11.2 Ų | 11.2 | 27 Ų | 27 | 6% | 0.057 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 78.1 | 174.9 | -60.5 | 177.2 | 0 | 0 | 0 | 109.5 | R3213 V3215 V3228 L3352 E3354 Y3377 | R3213-I3272 HydrophobicContact CB-CB 3.95Å; R3213-I3272 HydrophobicContact CB-CG2 4.25Å; R3213-I3272 WeakPolarHBondContact O-CA 3.41Å; R3213-I3272 WeakPolarHBondContact O-CB 3.3Å; R3213-I3272 PolarHBondContact O-N 2.99Å; V3215-I3272 HydrophobicContact CB-CD1 3.95Å; V3215-I3272 HydrophobicContact CG1-CD1 4.28Å; V3215-I3272 HydrophobicContact CG1-CG1 4.38Å; V3228-I3272 HydrophobicContact CG1-CD1 4.48Å; V3228-I3272 HydrophobicContact CG2-CD1 4.21Å; I3272-L3352 HydrophobicContact CB-CD2 4Å; I3272-L3352 HydrophobicContact CG1-CD1 4.35Å; I3272-L3352 HydrophobicContact CG1-CD2 4.21Å; I3272-L3352 HydrophobicContact CG2-CD2 3.61Å; I3272-E3354 WeakPolarHBondContact CG2-OE2 3.4Å; I3272-Y3377 HydrophobicContact CD1-CD1 4.39Å |
| 3273 | K | 95.4 | Very high | 96.6 | Very high | 61.2 Ų | 61.2 | 26.1 Ų | 26.1 | 27% | 0.266 | 13% | 0.133 | S | C | . | . | trans | -153.3 | 137.8 | 178 | -172.1 | 172 | -176 | 168.7 | 0 | 112.8 | R3184 D3212 L3271 | R3184-K3273 PolarHBondContact NH1-O 3.25Å; D3212-K3273 HydrophobicContact CB-CD 4.49Å; D3212-K3273 VanDerWaalsContact CG-CD 3.5Å; D3212-K3273 VanDerWaalsContact OD1-CD 3.31Å; D3212-K3273 WeakPolarHBondContact OD1-CD 3.34Å; D3212-K3273 VanDerWaalsContact OD1-CE 3.29Å; D3212-K3273 WeakPolarHBondContact OD1-CE 3.24Å; D3212-K3273 IonicContact OD1-NZ 2.92Å; D3212-K3273 PolarHBondContact OD1-NZ 3.16Å; D3212-K3273 WeakPolarHBondContact OD2-CD 3.39Å; D3212-K3273 IonicContact OD2-NZ 3.12Å; D3212-K3273 PolarHBondContact OD2-NZ 3.16Å; L3271-K3273 HydrophobicContact CD1-CB 4.27Å; L3271-K3273 HydrophobicContact CD2-CB 4.14Å; L3271-K3273 HydrophobicContact CG-CB 3.95Å; L3271-K3273 PolarHBondContact O-N 3.16Å | ||
| 3274 | S | 96.6 | Very high | 96.7 | Very high | 17.8 Ų | 17.8 | 26.1 Ų | 26.1 | 12% | 0.124 | 13% | 0.133 | C | C | . | . | trans | -155.2 | 152.4 | 167.3 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | A3178 I3276 D3313 | A3178-S3274 WeakPolarHBondContact CB-OG 3.38Å; S3274-I3276 WeakPolarHBondContact CB-O 3.31Å; S3274-I3276 PolarHBondContact OG-N 3.16Å; S3274-I3276 PolarHBondContact OG-O 3.1Å; S3274-D3313 WeakPolarHBondContact CB-O 3.26Å; S3274-D3313 PolarHBondContact OG-O 3.14Å | ||
| 3275 | N | 97.1 | Very high | 96.6 | Very high | 25.6 Ų | 25.6 | 24.5 Ų | 24.5 | 14% | 0.137 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -89.1 | -4.1 | 166.8 | 68 | -54 | 0 | 0 | 0 | 112.8 | L3138 A3141 T3142 L3143 A3178 V3179 | L3138-N3275 PolarHBondContact O-ND2 3.34Å; A3141-N3275 PolarHBondContact O-ND2 2.87Å; T3142-N3275 CarbonylContact C-O 3.5Å; T3142-N3275 VanDerWaalsContact CA-O 3.31Å; T3142-N3275 WeakPolarHBondContact CA-O 3.21Å; T3142-N3275 HydrophobicContact CG2-CB 4.24Å; L3143-N3275 PolarHBondContact N-O 3.34Å; A3178-N3275 WeakPolarHBondContact CA-OD1 3.19Å; A3178-N3275 VanDerWaalsContact CB-OD1 3.24Å; A3178-N3275 WeakPolarHBondContact CB-OD1 3.24Å; V3179-N3275 PolarHBondContact N-OD1 2.86Å |
| 3276 | I | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 116.8 | 172 | -58.2 | -175.4 | 0 | 0 | 0 | 108.9 | A3130 L3138 L3143 M3176 A3178 S3274 V3314 H3315 | A3130-I3276 HydrophobicContact CB-CD1 4.29Å; L3138-I3276 HydrophobicContact CB-CD1 4.04Å; L3138-I3276 HydrophobicContact CD2-CD1 3.98Å; L3138-I3276 HydrophobicContact CD2-CG1 3.92Å; L3143-I3276 HydrophobicContact CB-CG1 4.28Å; L3143-I3276 HydrophobicContact CB-CG2 4.46Å; L3143-I3276 HydrophobicContact CD2-CG2 4.23Å; L3143-I3276 HydrophobicContact CG-CG2 4.47Å; L3143-I3276 CarbonylContact O-C 3.46Å; L3143-I3276 VanDerWaalsContact O-CA 3.31Å; L3143-I3276 WeakPolarHBondContact O-CA 3.38Å; M3176-I3276 HydrophobicContact CB-CD1 4.43Å; M3176-I3276 HydrophobicContact CE-CG2 3.19Å; A3178-I3276 HydrophobicContact CB-CB 3.98Å; A3178-I3276 HydrophobicContact CB-CD1 3.93Å; A3178-I3276 HydrophobicContact CB-CG1 3.77Å; S3274-I3276 WeakPolarHBondContact CB-O 3.31Å; S3274-I3276 PolarHBondContact OG-N 3.16Å; S3274-I3276 PolarHBondContact OG-O 3.1Å; I3276-V3314 HydrophobicContact CB-CG2 4.29Å; I3276-V3314 HydrophobicContact CG2-CG1 4.05Å; I3276-V3314 HydrophobicContact CG2-CG2 4.03Å; I3276-H3315 PolarHBondContact O-N 3.16Å |
| 3277 | I | 98.5 | Very high | 96.2 | Very high | 40 Ų | 40 | 33.3 Ų | 33.3 | 21% | 0.205 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 128.9 | -178.2 | -55.3 | 174.8 | 0 | 0 | 0 | 109 | L3143 E3144 L3145 Q3279 H3315 | L3143-I3277 PolarHBondContact O-N 3.24Å; E3144-I3277 CarbonylContact C-O 3.48Å; E3144-I3277 WeakPolarHBondContact CA-O 3.33Å; L3145-I3277 PolarHBondContact N-O 3.15Å; I3277-Q3279 HydrophobicContact CG2-CB 4.2Å; I3277-Q3279 HydrophobicContact CG2-CG 4.4Å; I3277-H3315 CarbonylContact C-O 3.55Å; I3277-H3315 VanDerWaalsContact CA-O 3.31Å; I3277-H3315 WeakPolarHBondContact CA-O 3.22Å; I3277-H3315 HydrophobicContact CG1-CB 4.26Å |
| 3278 | I | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 122.4 | 168.6 | -52.2 | -175.6 | 0 | 0 | 0 | 107.2 | L3145 L3147 I3168 M3174 M3176 I3293 V3314 H3315 F3316 Y3317 M3319 | L3145-I3278 HydrophobicContact CB-CG1 4.31Å; L3145-I3278 HydrophobicContact CB-CG2 4.42Å; L3145-I3278 HydrophobicContact CD1-CD1 4.31Å; L3145-I3278 HydrophobicContact CD1-CG1 4.21Å; L3145-I3278 HydrophobicContact CG-CG1 4.49Å; L3145-I3278 WeakPolarHBondContact O-CA 3.32Å; L3147-I3278 HydrophobicContact CD1-CG2 3.89Å; I3168-I3278 HydrophobicContact CD1-CG2 4.29Å; M3174-I3278 HydrophobicContact CE-CD1 4.09Å; M3176-I3278 HydrophobicContact CE-CD1 3.97Å; M3176-I3278 HydrophobicContact CE-CG1 4.27Å; M3176-I3278 HydrophobicContact SD-CD1 4.09Å; I3278-I3293 HydrophobicContact CD1-CD1 3.88Å; I3278-V3314 HydrophobicContact CD1-CG1 4.06Å; I3278-V3314 HydrophobicContact CG1-CG1 3.99Å; I3278-H3315 PolarHBondContact N-O 3.08Å; I3278-F3316 HydrophobicContact CB-CD1 4.07Å; I3278-F3316 HydrophobicContact CB-CE1 4.09Å; I3278-F3316 HydrophobicContact CD1-CE1 3.8Å; I3278-F3316 HydrophobicContact CD1-CZ 4.07Å; I3278-F3316 HydrophobicContact CG1-CE1 4.38Å; I3278-F3316 HydrophobicContact CG2-CD1 4.45Å; I3278-F3316 HydrophobicContact CG2-CE1 4.4Å; I3278-F3316 CarbonylContact O-C 3.55Å; I3278-F3316 VanDerWaalsContact O-CA 3.28Å; I3278-F3316 WeakPolarHBondContact O-CA 3.33Å; I3278-Y3317 PolarHBondContact O-N 3.17Å; I3278-M3319 HydrophobicContact CG2-CE 3.64Å; I3278-M3319 HydrophobicContact CG2-SD 4.14Å |
| 3279 | Q | 98.3 | Very high | 95.6 | Very high | 27.6 Ų | 27.6 | 37.5 Ų | 37.5 | 13% | 0.129 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 153.7 | -171.2 | 65 | -176 | 4.9 | 0 | 0 | 114 | E3144 L3145 T3146 L3147 I3277 Y3317 M3319 | E3144-Q3279 PolarHBondContact OE1-NE2 3.02Å; L3145-Q3279 PolarHBondContact O-N 2.97Å; T3146-Q3279 CarbonylContact C-O 3.28Å; T3146-Q3279 WeakPolarHBondContact CA-O 3.37Å; T3146-Q3279 HydrophobicContact CG2-CG 4.32Å; T3146-Q3279 PolarHBondContact OG1-NE2 2.99Å; L3147-Q3279 PolarHBondContact N-O 3.14Å; I3277-Q3279 HydrophobicContact CG2-CB 4.2Å; I3277-Q3279 HydrophobicContact CG2-CG 4.4Å; Q3279-Y3317 WeakPolarHBondContact CA-O 3.28Å; Q3279-Y3317 VanDerWaalsContact CB-O 3.23Å; Q3279-Y3317 WeakPolarHBondContact CB-O 3.28Å; Q3279-M3319 VanDerWaalsContact C-SD 3.54Å |
| 3280 | G | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 151.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | S3284 Y3317 R3318 | G3280-S3284 WeakPolarHBondContact CA-OG 3.27Å; G3280-Y3317 PolarHBondContact N-O 3.11Å; G3280-Y3317 VanDerWaalsContact N-O 3.16Å; G3280-R3318 PolarHBondContact N-O 3.03Å; G3280-R3318 PolarHBondContact O-NE 3.01Å; G3280-R3318 PolarHBondContact O-NH2 3.07Å |
| 3281 | D | 96.4 | Very high | 95.5 | Very high | 27.2 Ų | 27.2 | 37.5 Ų | 37.5 | 15% | 0.145 | 19% | 0.194 | C | C | . | . | trans | -56.4 | 168.9 | 168.5 | 61.2 | 38 | 0 | 0 | 0 | 113.3 | T3146 L3147 L3148 G3149 K3166 Q3283 S3284 | T3146-D3281 HydrophobicContact CG2-CB 4.43Å; L3147-D3281 PolarHBondContact O-N 3.15Å; L3148-D3281 HydrophobicContact CD2-CB 3.99Å; G3149-D3281 PolarHBondContact N-OD2 3Å; K3166-D3281 WeakPolarHBondContact CE-OD2 3.38Å; K3166-D3281 IonicContact NZ-OD1 3.01Å; K3166-D3281 PolarHBondContact NZ-OD1 2.88Å; K3166-D3281 IonicContact NZ-OD2 3.16Å; K3166-D3281 PolarHBondContact NZ-OD2 3.09Å; D3281-Q3283 PolarHBondContact O-N 3.06Å; D3281-Q3283 VanDerWaalsContact O-N 3.15Å; D3281-Q3283 PolarHBondContact OD1-N 2.95Å; D3281-S3284 PolarHBondContact N-OG 3.03Å; D3281-S3284 WeakPolarHBondContact O-CB 3.42Å; D3281-S3284 PolarHBondContact O-N 2.86Å; D3281-S3284 PolarHBondContact O-OG 2.95Å; D3281-S3284 PolarHBondContact OD1-N 3.23Å; D3281-S3284 VanDerWaalsContact OD1-N 3.16Å; D3281-S3284 PolarHBondContact OD1-OG 2.96Å; D3281-S3284 VanDerWaalsContact OD1-OG 3.08Å | ||
| 3282 | D | 93.7 | Very high | 95.5 | Very high | 117.8 Ų | 117.8 | 37.5 Ų | 37.5 | 63% | 0.63 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18.7 | -174.5 | -60.9 | -31.8 | 0 | 0 | 0 | 113.9 | S3284 R3318 | D3282-S3284 VanDerWaalsContact C-N 3.3Å; D3282-S3284 PolarHBondContact O-N 2.86Å; D3282-R3318 IonicContact OD1-CZ 3.22Å; D3282-R3318 IonicContact OD1-NH1 3.17Å; D3282-R3318 PolarHBondContact OD1-NH1 3.08Å; D3282-R3318 IonicContact OD1-NH2 3.06Å; D3282-R3318 PolarHBondContact OD1-NH2 3.16Å |
| 3283 | Q | 94.2 | Very high | 95.5 | Very high | 117 Ų | 117 | 36.9 Ų | 36.9 | 55% | 0.547 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -17.8 | 175.1 | -62.8 | -56.4 | -43.4 | 0 | 0 | 112.4 | D3281 V3285 N3286 T3287 | D3281-Q3283 PolarHBondContact O-N 3.06Å; D3281-Q3283 VanDerWaalsContact O-N 3.15Å; D3281-Q3283 PolarHBondContact OD1-N 2.95Å; Q3283-V3285 VanDerWaalsContact C-N 3.29Å; Q3283-V3285 PolarHBondContact O-N 3.13Å; Q3283-V3285 VanDerWaalsContact O-N 3.15Å; Q3283-N3286 PolarHBondContact O-N 3.11Å; Q3283-T3287 HydrophobicContact CB-CG2 4.47Å; Q3283-T3287 WeakPolarHBondContact O-CB 3.38Å; Q3283-T3287 WeakPolarHBondContact O-CG2 3.39Å; Q3283-T3287 PolarHBondContact O-N 3.14Å; Q3283-T3287 PolarHBondContact O-OG1 3.04Å; Q3283-T3287 VanDerWaalsContact O-OG1 3.04Å |
| 3284 | S | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.4 | -40.4 | -175.6 | -52.4 | 0 | 0 | 0 | 0 | 113.1 | K3166 G3280 D3281 D3282 N3286 T3287 K3288 F3289 L3357 | K3166-S3284 PolarHBondContact NZ-OG 3.08Å; G3280-S3284 WeakPolarHBondContact CA-OG 3.27Å; D3281-S3284 PolarHBondContact N-OG 3.03Å; D3281-S3284 WeakPolarHBondContact O-CB 3.42Å; D3281-S3284 PolarHBondContact O-N 2.86Å; D3281-S3284 PolarHBondContact O-OG 2.95Å; D3281-S3284 PolarHBondContact OD1-N 3.23Å; D3281-S3284 VanDerWaalsContact OD1-N 3.16Å; D3281-S3284 PolarHBondContact OD1-OG 2.96Å; D3281-S3284 VanDerWaalsContact OD1-OG 3.08Å; D3282-S3284 VanDerWaalsContact C-N 3.3Å; D3282-S3284 PolarHBondContact O-N 2.86Å; S3284-N3286 PolarHBondContact O-N 3.31Å; S3284-T3287 WeakPolarHBondContact CA-OG1 3.28Å; S3284-T3287 PolarHBondContact O-OG1 3.14Å; S3284-K3288 CarbonylContact O-C 3.52Å; S3284-K3288 VanDerWaalsContact O-CA 3.23Å; S3284-K3288 WeakPolarHBondContact O-CA 3.36Å; S3284-K3288 PolarHBondContact O-N 3.14Å; S3284-F3289 WeakPolarHBondContact CA-O 3.34Å; S3284-F3289 WeakPolarHBondContact CB-O 3.37Å; S3284-F3289 PolarHBondContact O-N 3.17Å; S3284-F3289 VanDerWaalsContact O-N 3.13Å; S3284-F3289 PolarHBondContact OG-O 3.1Å; S3284-L3357 WeakPolarHBondContact O-CD1 3.4Å |
| 3285 | V | 92.1 | Very high | 95.6 | Very high | 51.2 Ų | 51.2 | 33.2 Ų | 33.2 | 31% | 0.31 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -68 | -39.7 | -178.7 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | Q3283 K3288 R3318 L3357 | Q3283-V3285 VanDerWaalsContact C-N 3.29Å; Q3283-V3285 PolarHBondContact O-N 3.13Å; Q3283-V3285 VanDerWaalsContact O-N 3.15Å; V3285-K3288 VanDerWaalsContact O-CD 3.32Å; V3285-K3288 WeakPolarHBondContact O-CD 3.28Å; V3285-K3288 VanDerWaalsContact O-CE 3.3Å; V3285-K3288 WeakPolarHBondContact O-CE 3.26Å; V3285-K3288 PolarHBondContact O-NZ 2.92Å; V3285-R3318 HydrophobicContact CG2-CB 4.24Å; V3285-R3318 VanDerWaalsContact CG2-CD 3.41Å; V3285-R3318 HydrophobicContact CG2-CG 3.66Å; V3285-L3357 HydrophobicContact CG2-CD2 4.47Å |
| 3286 | N | 91 | Very high | 95.4 | Very high | 124.8 Ų | 124.8 | 31.9 Ų | 31.9 | 67% | 0.667 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -73 | -41.6 | -179.7 | -66.8 | -19.5 | 0 | 0 | 0 | 111 | Q3283 S3284 K3288 | Q3283-N3286 PolarHBondContact O-N 3.11Å; S3284-N3286 PolarHBondContact O-N 3.31Å; N3286-K3288 VanDerWaalsContact C-N 3.34Å |
| 3287 | T | 90.6 | Very high | 95 | Very high | 77 Ų | 77 | 32.8 Ų | 32.8 | 47% | 0.472 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -83.6 | -10.8 | -179.3 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | Q3283 S3284 F3289 | Q3283-T3287 HydrophobicContact CB-CG2 4.47Å; Q3283-T3287 WeakPolarHBondContact O-CB 3.38Å; Q3283-T3287 WeakPolarHBondContact O-CG2 3.39Å; Q3283-T3287 PolarHBondContact O-N 3.14Å; Q3283-T3287 PolarHBondContact O-OG1 3.04Å; Q3283-T3287 VanDerWaalsContact O-OG1 3.04Å; S3284-T3287 WeakPolarHBondContact CA-OG1 3.28Å; S3284-T3287 PolarHBondContact O-OG1 3.14Å; T3287-F3289 PolarHBondContact O-N 3.09Å; T3287-F3289 VanDerWaalsContact O-N 3.17Å; T3287-F3289 WeakPolarHBondContact OG1-CB 3.37Å; T3287-F3289 PolarHBondContact OG1-N 2.97Å |
| 3288 | K | 90.3 | Very high | 94.6 | Very high | 75.4 Ų | 75.4 | 30.9 Ų | 30.9 | 33% | 0.328 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 30.3 | -167.8 | -54.1 | -61.7 | -179.5 | -165.1 | 0 | 113 | S3284 V3285 N3286 K3322 L3357 | S3284-K3288 CarbonylContact O-C 3.52Å; S3284-K3288 VanDerWaalsContact O-CA 3.23Å; S3284-K3288 WeakPolarHBondContact O-CA 3.36Å; S3284-K3288 PolarHBondContact O-N 3.14Å; V3285-K3288 VanDerWaalsContact O-CD 3.32Å; V3285-K3288 WeakPolarHBondContact O-CD 3.28Å; V3285-K3288 VanDerWaalsContact O-CE 3.3Å; V3285-K3288 WeakPolarHBondContact O-CE 3.26Å; V3285-K3288 PolarHBondContact O-NZ 2.92Å; N3286-K3288 VanDerWaalsContact C-N 3.34Å; K3288-K3322 HydrophobicContact CB-CB 3.9Å; K3288-K3322 HydrophobicContact CB-CD 4.15Å; K3288-K3322 HydrophobicContact CG-CD 4.37Å; K3288-K3322 PolarHBondContact O-N 2.84Å; K3288-K3322 VanDerWaalsContact O-N 3.13Å; K3288-L3357 HydrophobicContact CD-CD2 4.09Å |
| 3289 | F | 93.3 | Very high | 93.9 | Very high | 12.8 Ų | 12.8 | 33.8 Ų | 33.8 | 6% | 0.056 | 18% | 0.176 | C | C | . | . | B | Isolated β-bridge | trans | -127.4 | 86.6 | -175.9 | -167.1 | -93.6 | 0 | 0 | 0 | 110.7 | T3150 I3151 P3165 K3166 S3284 T3287 Q3321 F3324 | T3150-F3289 VanDerWaalsContact C-CE1 3.47Å; I3151-F3289 HydrophobicContact CB-CD2 4.29Å; I3151-F3289 HydrophobicContact CB-CE2 3.95Å; I3151-F3289 HydrophobicContact CB-CZ 4.21Å; I3151-F3289 HydrophobicContact CD1-CE2 4.47Å; I3151-F3289 HydrophobicContact CG1-CE2 4.05Å; I3151-F3289 HydrophobicContact CG1-CZ 4.47Å; P3165-F3289 HydrophobicContact CG-CZ 4.1Å; K3166-F3289 HydrophobicContact CB-CE1 3.87Å; K3166-F3289 HydrophobicContact CD-CD1 3.87Å; K3166-F3289 HydrophobicContact CD-CE1 3.91Å; K3166-F3289 PolarHBondContact NZ-O 3.03Å; S3284-F3289 WeakPolarHBondContact CA-O 3.34Å; S3284-F3289 WeakPolarHBondContact CB-O 3.37Å; S3284-F3289 PolarHBondContact O-N 3.17Å; S3284-F3289 VanDerWaalsContact O-N 3.13Å; S3284-F3289 PolarHBondContact OG-O 3.1Å; T3287-F3289 PolarHBondContact O-N 3.09Å; T3287-F3289 VanDerWaalsContact O-N 3.17Å; T3287-F3289 WeakPolarHBondContact OG1-CB 3.37Å; T3287-F3289 PolarHBondContact OG1-N 2.97Å; F3289-Q3321 HydrophobicContact CD2-CB 3.93Å; F3289-Q3321 HydrophobicContact CD2-CG 3.77Å; F3289-Q3321 HydrophobicContact CE2-CB 4.01Å; F3289-Q3321 HydrophobicContact CE2-CG 3.68Å; F3289-Q3321 HydrophobicContact CG-CG 4.29Å; F3289-Q3321 HydrophobicContact CZ-CG 4.09Å; F3289-Q3321 VanDerWaalsContact CZ-OE1 3.31Å; F3289-F3324 HydrophobicContact CD2-CE2 4.5Å; F3289-F3324 HydrophobicContact CE2-CD2 4.42Å; F3289-F3324 AromaticContact CE2-CE2 3.93Å; F3289-F3324 HydrophobicContact CE2-CE2 4Å |
| 3290 | G | 96.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -94.9 | -175.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | R3318 G3320 Q3321 | G3290-R3318 WeakPolarHBondContact CA-O 3.33Å; G3290-G3320 VanDerWaalsContact CA-O 3.22Å; G3290-G3320 WeakPolarHBondContact CA-O 3.34Å; G3290-G3320 PolarHBondContact N-O 3.26Å; G3290-Q3321 VanDerWaalsContact O-CG 3.22Å; G3290-Q3321 WeakPolarHBondContact O-CG 3.38Å; G3290-Q3321 PolarHBondContact O-NE2 3.07Å; G3290-Q3321 VanDerWaalsContact O-NE2 3.15Å | ||
| 3291 | G | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -75.5 | 156 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | K3166 M3319 G3320 | K3166-G3291 WeakPolarHBondContact O-CA 3.31Å; G3291-M3319 VanDerWaalsContact CA-SD 3.55Å; G3291-M3319 CarbonylContact O-C 3.53Å; G3291-M3319 WeakPolarHBondContact O-CA 3.3Å; G3291-M3319 WeakPolarHBondContact O-CB 3.24Å; G3291-M3319 VanDerWaalsContact O-CE 3.26Å; G3291-M3319 WeakPolarHBondContact O-CE 3.33Å; G3291-G3320 PolarHBondContact O-N 3.07Å |
| 3292 | R | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 154.4 | 173.5 | 68.9 | 173.7 | -66.2 | -158.6 | 10.5 | 112.6 | I3162 I3163 K3166 S3167 I3168 D3329 A3330 F3332 | I3162-R3292 PolarHBondContact O-NH1 3.17Å; I3163-R3292 WeakPolarHBondContact O-CD 3.41Å; I3163-R3292 PolarHBondContact O-NH1 3.17Å; K3166-R3292 PolarHBondContact O-N 2.98Å; S3167-R3292 CarbonylContact C-O 3.44Å; S3167-R3292 WeakPolarHBondContact CA-O 3.19Å; I3168-R3292 PolarHBondContact N-O 3.12Å; R3292-D3329 IonicContact NH1-OD1 3.17Å; R3292-A3330 PolarHBondContact NH2-O 3.13Å; R3292-F3332 VanDerWaalsContact CA-O 3.31Å; R3292-F3332 WeakPolarHBondContact CA-O 3.44Å; R3292-F3332 WeakPolarHBondContact CB-O 3.35Å |
| 3293 | I | 98 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 121.5 | 164.5 | -52.2 | -170.1 | 0 | 0 | 0 | 108.5 | I3168 V3170 M3174 I3278 I3295 F3316 M3319 P3333 A3335 | I3168-I3293 HydrophobicContact CB-CB 4.49Å; I3168-I3293 HydrophobicContact CB-CG1 4.14Å; I3168-I3293 HydrophobicContact CB-CG2 4.29Å; I3168-I3293 HydrophobicContact CD1-CD1 4.1Å; I3168-I3293 HydrophobicContact CD1-CG1 4.13Å; I3168-I3293 HydrophobicContact CG1-CG1 4.37Å; I3168-I3293 HydrophobicContact CG2-CG2 4.45Å; I3168-I3293 CarbonylContact O-C 3.57Å; I3168-I3293 WeakPolarHBondContact O-CA 3.28Å; V3170-I3293 HydrophobicContact CG2-CG2 3.78Å; M3174-I3293 HydrophobicContact CE-CD1 4.08Å; M3174-I3293 HydrophobicContact SD-CD1 4.29Å; M3174-I3293 HydrophobicContact SD-CG2 4.38Å; I3278-I3293 HydrophobicContact CD1-CD1 3.88Å; I3293-I3295 HydrophobicContact CB-CD1 4.48Å; I3293-I3295 HydrophobicContact CG2-CD1 3.82Å; I3293-I3295 HydrophobicContact CG2-CG1 4.39Å; I3293-F3316 HydrophobicContact CD1-CE1 3.66Å; I3293-F3316 HydrophobicContact CD1-CZ 4.22Å; I3293-F3316 HydrophobicContact CG1-CE1 4.44Å; I3293-M3319 HydrophobicContact CG1-CE 4.47Å; I3293-P3333 WeakPolarHBondContact CB-O 3.31Å; I3293-P3333 WeakPolarHBondContact CG1-O 3.43Å; I3293-P3333 PolarHBondContact N-O 2.94Å; I3293-A3335 PolarHBondContact O-N 3.11Å |
| 3294 | L | 97.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.8 | 174.5 | 172.2 | 61.5 | 0 | 0 | 0 | 109.4 | P3161 I3163 I3168 V3170 I3337 | P3161-L3294 HydrophobicContact CB-CD1 4.44Å; P3161-L3294 HydrophobicContact CB-CD2 4.26Å; I3163-L3294 HydrophobicContact CB-CD2 4.46Å; I3163-L3294 HydrophobicContact CG1-CD2 4.14Å; I3168-L3294 PolarHBondContact O-N 2.94Å; V3170-L3294 WeakPolarHBondContact CB-O 3.35Å; V3170-L3294 PolarHBondContact N-O 3.06Å; L3294-I3337 HydrophobicContact CD1-CB 4.05Å; L3294-I3337 HydrophobicContact CD1-CD1 3.82Å; L3294-I3337 HydrophobicContact CD1-CG1 3.87Å |
| 3295 | I | 96.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.7 | 174.2 | -52.2 | 84.2 | 0 | 0 | 0 | 106.9 | V3170 I3293 G3307 L3309 I3334 A3335 F3336 I3337 A3339 | V3170-I3295 HydrophobicContact CB-CG1 4.27Å; V3170-I3295 HydrophobicContact CG2-CG1 4.47Å; I3293-I3295 HydrophobicContact CB-CD1 4.48Å; I3293-I3295 HydrophobicContact CG2-CD1 3.82Å; I3293-I3295 HydrophobicContact CG2-CG1 4.39Å; I3295-G3307 VanDerWaalsContact CG2-C 3.48Å; I3295-G3307 WeakPolarHBondContact CG2-O 3.32Å; I3295-L3309 HydrophobicContact CD1-CD2 3.84Å; I3295-L3309 HydrophobicContact CG1-CB 3.98Å; I3295-L3309 HydrophobicContact CG1-CD2 4.18Å; I3295-I3334 HydrophobicContact CD1-CG2 3.65Å; I3295-A3335 WeakPolarHBondContact CD1-O 3.41Å; I3295-A3335 PolarHBondContact N-O 3.15Å; I3295-F3336 HydrophobicContact CB-CD1 3.6Å; I3295-F3336 HydrophobicContact CB-CE1 3.84Å; I3295-F3336 HydrophobicContact CB-CG 4.13Å; I3295-F3336 HydrophobicContact CD1-CD1 4.46Å; I3295-F3336 HydrophobicContact CD1-CD2 4.33Å; I3295-F3336 HydrophobicContact CD1-CE1 4.35Å; I3295-F3336 HydrophobicContact CD1-CE2 4.18Å; I3295-F3336 HydrophobicContact CD1-CG 4.45Å; I3295-F3336 HydrophobicContact CD1-CZ 4.2Å; I3295-F3336 HydrophobicContact CG1-CD1 4.18Å; I3295-F3336 HydrophobicContact CG1-CE1 3.98Å; I3295-F3336 HydrophobicContact CG1-CZ 4.24Å; I3295-F3336 HydrophobicContact CG2-CD1 3.64Å; I3295-F3336 HydrophobicContact CG2-CE1 3.7Å; I3295-F3336 WeakPolarHBondContact O-CA 3.36Å; I3295-I3337 PolarHBondContact O-N 3.19Å; I3295-A3339 HydrophobicContact CG2-CB 4.46Å |
| 3296 | S | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -157.9 | 174.8 | -175.4 | -168.9 | 0 | 0 | 0 | 0 | 110.9 | P3161 V3170 Y3171 G3307 I3337 | P3161-S3296 WeakPolarHBondContact CD-OG 3.29Å; P3161-S3296 VanDerWaalsContact CG-OG 3.25Å; P3161-S3296 WeakPolarHBondContact CG-OG 3.28Å; V3170-S3296 PolarHBondContact O-N 3.02Å; Y3171-S3296 WeakPolarHBondContact CD1-O 3.35Å; S3296-G3307 WeakPolarHBondContact O-CA 3.33Å; S3296-G3307 PolarHBondContact O-N 3.1Å; S3296-I3337 WeakPolarHBondContact CA-O 3.27Å; S3296-I3337 WeakPolarHBondContact CB-O 3.26Å; S3296-I3337 PolarHBondContact OG-O 3Å | ||
| 3297 | Q | 89.8 | Confident | 90.5 | Very high | 18.6 Ų | 18.6 | 33.7 Ų | 33.7 | 9% | 0.087 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 150.5 | 163.9 | 70.8 | -173.9 | 15.2 | 0 | 0 | 111 | F3028 F3029 V3034 I3304 L3305 N3306 S3338 | F3028-Q3297 HydrophobicContact CE1-CG 4.09Å; F3028-Q3297 HydrophobicContact CZ-CG 3.84Å; F3029-Q3297 HydrophobicContact CE1-CG 3.89Å; F3029-Q3297 HydrophobicContact CZ-CG 3.62Å; F3029-Q3297 VanDerWaalsContact CZ-NE2 3.35Å; V3034-Q3297 VanDerWaalsContact CG1-NE2 3.3Å; Q3297-I3304 HydrophobicContact CB-CG2 4Å; Q3297-I3304 HydrophobicContact CG-CG2 4.5Å; Q3297-L3305 CarbonylContact C-O 3.52Å; Q3297-L3305 WeakPolarHBondContact CA-O 3.28Å; Q3297-L3305 WeakPolarHBondContact CB-O 3.49Å; Q3297-N3306 WeakPolarHBondContact CB-OD1 3.41Å; Q3297-S3338 VanDerWaalsContact CG-O 3.32Å; Q3297-S3338 WeakPolarHBondContact CG-O 3.31Å |
| 3298 | T | 89 | Confident | 90.7 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 151.5 | 175.4 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | D3159 Y3171 I3304 L3305 | D3159-T3298 VanDerWaalsContact O-CA 3.23Å; D3159-T3298 WeakPolarHBondContact O-CA 3.32Å; D3159-T3298 VanDerWaalsContact O-CB 3.31Å; D3159-T3298 WeakPolarHBondContact O-CB 3.38Å; D3159-T3298 PolarHBondContact O-OG1 2.86Å; Y3171-T3298 HydrophobicContact CD1-CG2 3.35Å; Y3171-T3298 HydrophobicContact CD2-CG2 4.34Å; Y3171-T3298 HydrophobicContact CE1-CG2 4.05Å; Y3171-T3298 HydrophobicContact CG-CG2 3.49Å; Y3171-T3298 VanDerWaalsContact CG-CG2 3.48Å; T3298-I3304 CarbonylContact O-C 3.54Å; T3298-I3304 WeakPolarHBondContact O-CA 3.39Å; T3298-L3305 HydrophobicContact CG2-CB 3.96Å; T3298-L3305 HydrophobicContact CG2-CD1 4.35Å; T3298-L3305 HydrophobicContact CG2-CG 4.42Å; T3298-L3305 PolarHBondContact N-O 2.98Å; T3298-L3305 PolarHBondContact O-N 3.21Å |
| 3299 | L | 85.1 | Confident | 91 | Very high | 60.4 Ų | 60.4 | 26.6 Ų | 26.6 | 32% | 0.316 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 116.1 | 165.3 | -177.2 | 68.8 | 0 | 0 | 0 | 108.5 | F3029 P3035 D3159 D3303 I3304 | F3029-L3299 HydrophobicContact CD1-CB 3.86Å; F3029-L3299 HydrophobicContact CD1-CD2 4.48Å; F3029-L3299 HydrophobicContact CE1-CB 4.08Å; P3035-L3299 HydrophobicContact CB-CD1 4.14Å; P3035-L3299 HydrophobicContact CG-CB 4.47Å; P3035-L3299 HydrophobicContact CG-CD1 3.77Å; P3035-L3299 HydrophobicContact CG-CD2 3.73Å; P3035-L3299 HydrophobicContact CG-CG 4.18Å; D3159-L3299 HydrophobicContact CB-CB 4.1Å; D3159-L3299 PolarHBondContact O-N 2.93Å; L3299-D3303 WeakPolarHBondContact CA-O 3.44Å; L3299-I3304 HydrophobicContact CD1-CG1 4.39Å |
| 3300 | Y | 85 | Confident | 91.2 | Very high | 48.8 Ų | 48.8 | 27.4 Ų | 27.4 | 19% | 0.191 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 120.2 | -178.7 | -174 | -96 | 0 | 0 | 0 | 110.3 | Y3098 I3124 L3158 G3302 D3303 L3305 | Y3098-Y3300 HydrophobicContact CD1-CE1 4.42Å; Y3098-Y3300 AromaticContact CE1-CE1 3.91Å; Y3098-Y3300 HydrophobicContact CE1-CE1 3.91Å; Y3098-Y3300 HydrophobicContact CE1-CE2 4.32Å; Y3098-Y3300 AromaticContact CE1-CZ 3.55Å; Y3098-Y3300 VanDerWaalsContact CE1-CZ 3.47Å; Y3098-Y3300 WeakPolarHBondContact CE1-OH 3.36Å; Y3098-Y3300 PolarHBondContact OH-OH 2.78Å; Y3098-Y3300 VanDerWaalsContact OH-OH 3.07Å; I3124-Y3300 HydrophobicContact CD1-CE2 4.4Å; I3124-Y3300 HydrophobicContact CG2-CD1 3.81Å; I3124-Y3300 HydrophobicContact CG2-CD2 3.8Å; I3124-Y3300 HydrophobicContact CG2-CE1 4.02Å; I3124-Y3300 HydrophobicContact CG2-CE2 4Å; I3124-Y3300 HydrophobicContact CG2-CG 3.69Å; L3158-Y3300 HydrophobicContact CD2-CD2 4.09Å; L3158-Y3300 HydrophobicContact CD2-CE2 4.27Å; Y3300-G3302 PolarHBondContact O-N 2.94Å; Y3300-G3302 VanDerWaalsContact O-N 3.08Å; Y3300-D3303 PolarHBondContact N-O 2.97Å; Y3300-D3303 PolarHBondContact O-N 2.93Å; Y3300-L3305 HydrophobicContact CD1-CD1 4.12Å; Y3300-L3305 HydrophobicContact CG-CD1 4.1Å |
| 3301 | Q | 84.1 | Confident | 91.2 | Very high | 167.4 Ų | 167.4 | 27.4 Ų | 27.4 | 78% | 0.782 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 29.6 | -178.9 | -63.4 | -177.2 | -24.9 | 0 | 0 | 114.5 | ||
| 3302 | G | 79.1 | Confident | 91.3 | Very high | 61.2 Ų | 61.2 | 27.5 Ų | 27.5 | 63% | 0.631 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.4 | -10.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y3300 | Y3300-G3302 PolarHBondContact O-N 2.94Å; Y3300-G3302 VanDerWaalsContact O-N 3.08Å |
| 3303 | D | 82.2 | Confident | 91.3 | Very high | 96 Ų | 96 | 27.8 Ų | 27.8 | 51% | 0.513 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 144.2 | 177.9 | -66.8 | -38.1 | 0 | 0 | 0 | 111.4 | L3299 Y3300 L3305 | L3299-D3303 WeakPolarHBondContact CA-O 3.44Å; Y3300-D3303 PolarHBondContact N-O 2.97Å; Y3300-D3303 PolarHBondContact O-N 2.93Å; D3303-L3305 HydrophobicContact CB-CD2 4.39Å |
| 3304 | I | 85 | Confident | 91.4 | Very high | 39 Ų | 39 | 27.8 Ų | 27.8 | 20% | 0.2 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 117.7 | 170 | -56.8 | 166.4 | 0 | 0 | 0 | 108.2 | P3035 S3036 S3037 S3038 S3039 Q3297 T3298 L3299 | P3035-I3304 HydrophobicContact CB-CD1 3.59Å; P3035-I3304 VanDerWaalsContact CB-CD1 3.46Å; P3035-I3304 HydrophobicContact CB-CG1 3.82Å; P3035-I3304 HydrophobicContact CB-CG2 4.25Å; P3035-I3304 HydrophobicContact CG-CG1 4.45Å; S3036-I3304 WeakPolarHBondContact O-CD1 3.34Å; S3037-I3304 WeakPolarHBondContact O-CD1 3.38Å; S3037-I3304 WeakPolarHBondContact O-CG1 3.4Å; S3038-I3304 WeakPolarHBondContact OG-CG2 3.4Å; S3038-I3304 PolarHBondContact OG-O 3.42Å; S3039-I3304 PolarHBondContact N-O 2.85Å; S3039-I3304 PolarHBondContact OG-O 2.78Å; Q3297-I3304 HydrophobicContact CB-CG2 4Å; Q3297-I3304 HydrophobicContact CG-CG2 4.5Å; T3298-I3304 CarbonylContact O-C 3.54Å; T3298-I3304 WeakPolarHBondContact O-CA 3.39Å; L3299-I3304 HydrophobicContact CD1-CG1 4.39Å |
| 3305 | L | 89 | Confident | 91.4 | Very high | 31 Ų | 31 | 28.5 Ų | 28.5 | 16% | 0.162 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 134.8 | 176.3 | -54.2 | 178.9 | 0 | 0 | 0 | 109.7 | I3124 Y3171 Q3297 T3298 Y3300 D3303 | I3124-L3305 HydrophobicContact CG2-CD1 3.61Å; Y3171-L3305 WeakPolarHBondContact O-CB 3.1Å; Q3297-L3305 CarbonylContact C-O 3.52Å; Q3297-L3305 WeakPolarHBondContact CA-O 3.28Å; Q3297-L3305 WeakPolarHBondContact CB-O 3.49Å; T3298-L3305 HydrophobicContact CG2-CB 3.96Å; T3298-L3305 HydrophobicContact CG2-CD1 4.35Å; T3298-L3305 HydrophobicContact CG2-CG 4.42Å; T3298-L3305 PolarHBondContact N-O 2.98Å; T3298-L3305 PolarHBondContact O-N 3.21Å; Y3300-L3305 HydrophobicContact CD1-CD1 4.12Å; Y3300-L3305 HydrophobicContact CG-CD1 4.1Å; D3303-L3305 HydrophobicContact CB-CD2 4.39Å |
| 3306 | N | 89.2 | Confident | 91.5 | Very high | 19.4 Ų | 19.4 | 28.5 Ų | 28.5 | 10% | 0.104 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 129.3 | -178.3 | -67 | -62 | 0 | 0 | 0 | 111.1 | S3038 S3039 V3040 S3041 Q3297 | S3038-N3306 PolarHBondContact OG-ND2 2.65Å; S3039-N3306 PolarHBondContact O-ND2 3.42Å; V3040-N3306 HydrophobicContact CG1-CB 4.49Å; V3040-N3306 HydrophobicContact CG2-CB 4.25Å; S3041-N3306 PolarHBondContact OG-O 3.41Å; Q3297-N3306 WeakPolarHBondContact CB-OD1 3.41Å |
| 3307 | G | 93.7 | Very high | 91.7 | Very high | 0.2 Ų | 0.2 | 31.1 Ų | 31.1 | 0% | 0.002 | 17% | 0.165 | C | C | . | . | trans | -75.5 | 136.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V3170 G3172 I3295 S3296 | V3170-G3307 WeakPolarHBondContact O-CA 3.44Å; G3172-G3307 CarbonylContact O-C 3.55Å; G3172-G3307 WeakPolarHBondContact O-CA 3.25Å; I3295-G3307 VanDerWaalsContact CG2-C 3.48Å; I3295-G3307 WeakPolarHBondContact CG2-O 3.32Å; S3296-G3307 WeakPolarHBondContact O-CA 3.33Å; S3296-G3307 PolarHBondContact O-N 3.1Å | ||
| 3308 | Q | 94.5 | Very high | 92.1 | Very high | 4.6 Ų | 4.6 | 31.6 Ų | 31.6 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 141.8 | 173.4 | -62.6 | 172.6 | 41.7 | 0 | 0 | 110.1 | V3040 S3041 V3170 G3172 I3173 M3174 I3345 S3346 | V3040-Q3308 HydrophobicContact CG1-CG 4.27Å; S3041-Q3308 PolarHBondContact O-NE2 3.03Å; S3041-Q3308 PolarHBondContact OG-NE2 3.49Å; V3170-Q3308 WeakPolarHBondContact CG1-O 3.31Å; G3172-Q3308 PolarHBondContact O-N 3.1Å; I3173-Q3308 HydrophobicContact CG1-CB 4.28Å; I3173-Q3308 HydrophobicContact CG2-CB 4.32Å; M3174-Q3308 PolarHBondContact N-O 3.1Å; Q3308-I3345 HydrophobicContact CG-CB 4.44Å; Q3308-I3345 HydrophobicContact CG-CD1 4.32Å; Q3308-S3346 WeakPolarHBondContact CA-OG 3.3Å |
| 3309 | L | 96.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 120.7 | -178.9 | -176.2 | 70.6 | 0 | 0 | 0 | 110.7 | M3174 I3295 L3311 I3334 F3336 S3346 Y3347 I3348 | M3174-L3309 HydrophobicContact CB-CD1 3.83Å; M3174-L3309 HydrophobicContact CG-CD1 4.01Å; M3174-L3309 WeakPolarHBondContact O-CA 3.17Å; M3174-L3309 HydrophobicContact SD-CD1 4.08Å; I3295-L3309 HydrophobicContact CD1-CD2 3.84Å; I3295-L3309 HydrophobicContact CG1-CB 3.98Å; I3295-L3309 HydrophobicContact CG1-CD2 4.18Å; L3309-L3311 HydrophobicContact CD1-CD1 3.88Å; L3309-L3311 HydrophobicContact CD1-CD2 3.84Å; L3309-L3311 HydrophobicContact CD1-CG 3.76Å; L3309-L3311 HydrophobicContact CD2-CD1 3.71Å; L3309-L3311 HydrophobicContact CD2-CG 4.21Å; L3309-L3311 HydrophobicContact CG-CD1 3.85Å; L3309-L3311 HydrophobicContact CG-CD2 4.41Å; L3309-L3311 HydrophobicContact CG-CG 3.78Å; L3309-I3334 HydrophobicContact CD2-CD1 4.05Å; L3309-I3334 HydrophobicContact CD2-CG2 3.76Å; L3309-F3336 HydrophobicContact CB-CE1 4.23Å; L3309-F3336 HydrophobicContact CB-CZ 3.94Å; L3309-F3336 HydrophobicContact CD2-CE2 4.34Å; L3309-F3336 HydrophobicContact CD2-CZ 3.94Å; L3309-S3346 PolarHBondContact N-OG 3.24Å; L3309-S3346 CarbonylContact O-C 3.52Å; L3309-S3346 WeakPolarHBondContact O-CA 3.28Å; L3309-S3346 WeakPolarHBondContact O-CB 3.38Å; L3309-S3346 PolarHBondContact O-OG 2.97Å; L3309-Y3347 PolarHBondContact O-N 3.25Å; L3309-I3348 HydrophobicContact CD2-CD1 4.4Å; L3309-I3348 HydrophobicContact CD2-CG1 4.43Å |
| 3310 | K | 96.9 | Very high | 93.1 | Very high | 28.2 Ų | 28.2 | 28.7 Ų | 28.7 | 12% | 0.123 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 102.5 | -179.7 | -65.1 | 178.6 | -175.5 | 175.9 | 0 | 108.4 | L3043 M3174 S3175 M3176 I3345 Y3347 | L3043-K3310 HydrophobicContact CD2-CD 4.07Å; M3174-K3310 PolarHBondContact O-N 3.15Å; S3175-K3310 CarbonylContact C-O 3.33Å; S3175-K3310 WeakPolarHBondContact CA-O 3.35Å; M3176-K3310 PolarHBondContact N-O 3.32Å; K3310-I3345 WeakPolarHBondContact CE-O 3.26Å; K3310-I3345 WeakPolarHBondContact CG-O 2.99Å; K3310-Y3347 HydrophobicContact CB-CD1 4.47Å; K3310-Y3347 HydrophobicContact CB-CE1 3.9Å; K3310-Y3347 HydrophobicContact CB-CE2 3.99Å; K3310-Y3347 HydrophobicContact CD-CE1 3.95Å; K3310-Y3347 HydrophobicContact CG-CD1 4.13Å; K3310-Y3347 HydrophobicContact CG-CE1 3.66Å |
| 3311 | L | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 134.2 | -176.2 | -58.7 | 176.1 | 0 | 0 | 0 | 111.2 | M3176 L3309 V3314 F3316 I3334 Y3347 K3349 | M3176-L3311 HydrophobicContact CB-CD2 3.76Å; M3176-L3311 HydrophobicContact CG-CD2 4.23Å; M3176-L3311 CarbonylContact O-C 3.49Å; M3176-L3311 VanDerWaalsContact O-CA 3.31Å; M3176-L3311 WeakPolarHBondContact O-CA 3.28Å; M3176-L3311 HydrophobicContact SD-CD2 4.37Å; L3309-L3311 HydrophobicContact CD1-CD1 3.88Å; L3309-L3311 HydrophobicContact CD1-CD2 3.84Å; L3309-L3311 HydrophobicContact CD1-CG 3.76Å; L3309-L3311 HydrophobicContact CD2-CD1 3.71Å; L3309-L3311 HydrophobicContact CD2-CG 4.21Å; L3309-L3311 HydrophobicContact CG-CD1 3.85Å; L3309-L3311 HydrophobicContact CG-CD2 4.41Å; L3309-L3311 HydrophobicContact CG-CG 3.78Å; L3311-V3314 HydrophobicContact CB-CG2 4.45Å; L3311-V3314 HydrophobicContact CD2-CG2 4.22Å; L3311-F3316 HydrophobicContact CD1-CE2 3.93Å; L3311-F3316 HydrophobicContact CD1-CZ 3.57Å; L3311-I3334 HydrophobicContact CD1-CD1 3.84Å; L3311-Y3347 PolarHBondContact N-O 3.07Å; L3311-K3349 PolarHBondContact O-N 3.21Å |
| 3312 | S | 97.9 | Very high | 93.6 | Very high | 3.4 Ų | 3.4 | 20.2 Ų | 20.2 | 2% | 0.024 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 135.9 | 161.5 | 82 | 0 | 0 | 0 | 0 | 112.7 | M3176 H3177 A3178 V3314 K3349 | M3176-S3312 PolarHBondContact O-N 3.12Å; H3177-S3312 WeakPolarHBondContact CA-OG 3.43Å; H3177-S3312 WeakPolarHBondContact CB-OG 3.26Å; H3177-S3312 PolarHBondContact CD2-OG 3.02Å; A3178-S3312 PolarHBondContact N-O 2.95Å; S3312-V3314 PolarHBondContact O-N 2.98Å; S3312-K3349 CarbonylContact C-O 3.46Å; S3312-K3349 WeakPolarHBondContact CA-O 3.32Å |
| 3313 | D | 97.7 | Very high | 93.6 | Very high | 6.2 Ų | 6.2 | 21.9 Ų | 21.9 | 3% | 0.033 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 62 | 15.4 | 169.6 | -62.5 | -90.6 | 0 | 0 | 0 | 115.1 | A3178 K3181 R3184 S3274 K3349 S3350 | A3178-D3313 HydrophobicContact CB-CB 3.69Å; A3178-D3313 WeakPolarHBondContact CB-O 3.37Å; K3181-D3313 PolarHBondContact N-OD1 3.14Å; R3184-D3313 IonicContact CZ-OD1 2.92Å; R3184-D3313 IonicContact NE-OD1 3.25Å; R3184-D3313 VanDerWaalsContact NH2-CB 3.32Å; R3184-D3313 IonicContact NH2-OD1 3.1Å; R3184-D3313 PolarHBondContact NH2-OD1 3.04Å; S3274-D3313 WeakPolarHBondContact CB-O 3.26Å; S3274-D3313 PolarHBondContact OG-O 3.14Å; D3313-K3349 PolarHBondContact N-O 3.01Å; D3313-S3350 WeakPolarHBondContact CA-O 3.29Å; D3313-S3350 VanDerWaalsContact OD1-CB 3.3Å; D3313-S3350 WeakPolarHBondContact OD1-CB 3.3Å |
| 3314 | V | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | P | Polyproline II helix | trans | -78.4 | 140.9 | -179.2 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | M3176 I3276 I3278 L3311 S3312 F3316 C3351 L3352 | M3176-V3314 HydrophobicContact CB-CG2 4.07Å; M3176-V3314 HydrophobicContact CE-CG1 4.36Å; M3176-V3314 HydrophobicContact CE-CG2 4.31Å; I3276-V3314 HydrophobicContact CB-CG2 4.29Å; I3276-V3314 HydrophobicContact CG2-CG1 4.05Å; I3276-V3314 HydrophobicContact CG2-CG2 4.03Å; I3278-V3314 HydrophobicContact CD1-CG1 4.06Å; I3278-V3314 HydrophobicContact CG1-CG1 3.99Å; L3311-V3314 HydrophobicContact CB-CG2 4.45Å; L3311-V3314 HydrophobicContact CD2-CG2 4.22Å; S3312-V3314 PolarHBondContact O-N 2.98Å; V3314-F3316 HydrophobicContact CB-CE2 4.15Å; V3314-F3316 HydrophobicContact CG1-CD2 4.35Å; V3314-F3316 HydrophobicContact CG1-CE2 3.79Å; V3314-F3316 HydrophobicContact CG1-CZ 3.99Å; V3314-C3351 CarbonylContact O-C 3.45Å; V3314-C3351 VanDerWaalsContact O-CA 3.25Å; V3314-C3351 WeakPolarHBondContact O-CA 3.38Å; V3314-C3351 VanDerWaalsContact O-CB 3.3Å; V3314-C3351 WeakPolarHBondContact O-CB 3.26Å; V3314-L3352 PolarHBondContact O-N 2.99Å |
| 3315 | H | 98.6 | Very high | 93.2 | Very high | 13.8 Ų | 13.8 | 18.9 Ų | 18.9 | 6% | 0.064 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 118.3 | 176.2 | -179.5 | -166.2 | 0 | 0 | 0 | 111.9 | I3276 I3277 I3278 L3352 E3354 | I3276-H3315 PolarHBondContact O-N 3.16Å; I3277-H3315 CarbonylContact C-O 3.55Å; I3277-H3315 VanDerWaalsContact CA-O 3.31Å; I3277-H3315 WeakPolarHBondContact CA-O 3.22Å; I3277-H3315 HydrophobicContact CG1-CB 4.26Å; I3278-H3315 PolarHBondContact N-O 3.08Å; H3315-L3352 CarbonylContact C-O 3.48Å; H3315-L3352 WeakPolarHBondContact CA-O 3.28Å; H3315-L3352 HydrophobicContact CB-CB 4.42Å; H3315-L3352 HydrophobicContact CB-CD2 4.39Å; H3315-L3352 VanDerWaalsContact CD2-CD2 3.43Å; H3315-L3352 WeakPolarHBondContact CD2-CD2 3.25Å; H3315-L3352 VanDerWaalsContact CD2-CG 3.48Å; H3315-L3352 WeakPolarHBondContact CD2-CG 3.43Å; H3315-L3352 WeakPolarHBondContact NE2-CD2 3.2Å; H3315-E3354 IonicContact CE1-OE2 3.1Å; H3315-E3354 PolarHBondContact CE1-OE2 3.16Å; H3315-E3354 WeakPolarHBondContact NE2-CB 3.26Å; H3315-E3354 IonicContact NE2-OE2 3.19Å; H3315-E3354 PolarHBondContact NE2-OE2 3.07Å |
| 3316 | F | 98.7 | Very high | 92.7 | Very high | 0.4 Ų | 0.4 | 19.7 Ų | 19.7 | 0% | 0.002 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 117.5 | 170.5 | -65.3 | -88.1 | 0 | 0 | 0 | 110.4 | I3278 I3293 L3311 V3314 M3319 P3333 I3334 C3351 L3352 F3353 E3354 | I3278-F3316 HydrophobicContact CB-CD1 4.07Å; I3278-F3316 HydrophobicContact CB-CE1 4.09Å; I3278-F3316 HydrophobicContact CD1-CE1 3.8Å; I3278-F3316 HydrophobicContact CD1-CZ 4.07Å; I3278-F3316 HydrophobicContact CG1-CE1 4.38Å; I3278-F3316 HydrophobicContact CG2-CD1 4.45Å; I3278-F3316 HydrophobicContact CG2-CE1 4.4Å; I3278-F3316 CarbonylContact O-C 3.55Å; I3278-F3316 VanDerWaalsContact O-CA 3.28Å; I3278-F3316 WeakPolarHBondContact O-CA 3.33Å; I3293-F3316 HydrophobicContact CD1-CE1 3.66Å; I3293-F3316 HydrophobicContact CD1-CZ 4.22Å; I3293-F3316 HydrophobicContact CG1-CE1 4.44Å; L3311-F3316 HydrophobicContact CD1-CE2 3.93Å; L3311-F3316 HydrophobicContact CD1-CZ 3.57Å; V3314-F3316 HydrophobicContact CB-CE2 4.15Å; V3314-F3316 HydrophobicContact CG1-CD2 4.35Å; V3314-F3316 HydrophobicContact CG1-CE2 3.79Å; V3314-F3316 HydrophobicContact CG1-CZ 3.99Å; F3316-M3319 HydrophobicContact CB-CG 4.3Å; F3316-M3319 HydrophobicContact CD1-CE 4.35Å; F3316-M3319 HydrophobicContact CD1-CG 4.36Å; F3316-P3333 HydrophobicContact CD1-CB 4.47Å; F3316-I3334 HydrophobicContact CE1-CD1 4.15Å; F3316-I3334 HydrophobicContact CE1-CG1 4.04Å; F3316-I3334 HydrophobicContact CE2-CD1 3.88Å; F3316-I3334 HydrophobicContact CZ-CD1 3.62Å; F3316-I3334 HydrophobicContact CZ-CG1 4.04Å; F3316-C3351 HydrophobicContact CE2-CB 4.44Å; F3316-L3352 PolarHBondContact N-O 3.25Å; F3316-F3353 HydrophobicContact CB-CD1 3.7Å; F3316-F3353 HydrophobicContact CB-CE1 4.11Å; F3316-F3353 HydrophobicContact CB-CG 4.27Å; F3316-F3353 HydrophobicContact CD1-CE1 4.44Å; F3316-F3353 AromaticContact CD2-CD1 3.93Å; F3316-F3353 HydrophobicContact CD2-CD1 3.93Å; F3316-F3353 AromaticContact CD2-CE1 3.56Å; F3316-F3353 HydrophobicContact CD2-CE1 3.56Å; F3316-F3353 HydrophobicContact CD2-CE2 4.26Å; F3316-F3353 HydrophobicContact CD2-CG 4.43Å; F3316-F3353 AromaticContact CD2-CZ 3.74Å; F3316-F3353 HydrophobicContact CD2-CZ 3.74Å; F3316-F3353 HydrophobicContact CE2-CE1 4.11Å; F3316-F3353 AromaticContact CE2-CZ 3.98Å; F3316-F3353 HydrophobicContact CE2-CZ 4Å; F3316-F3353 AromaticContact CG-CD1 3.9Å; F3316-F3353 HydrophobicContact CG-CD1 3.9Å; F3316-F3353 AromaticContact CG-CE1 3.76Å; F3316-F3353 HydrophobicContact CG-CE1 3.76Å; F3316-F3353 HydrophobicContact CG-CZ 4.41Å; F3316-F3353 CarbonylContact O-C 3.58Å; F3316-F3353 WeakPolarHBondContact O-CA 3.34Å; F3316-E3354 PolarHBondContact O-N 3.1Å |
| 3317 | Y | 98.3 | Very high | 92.4 | Very high | 53.6 Ų | 53.6 | 21.5 Ų | 21.5 | 21% | 0.21 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 125.2 | -176.5 | -176.9 | -128.1 | 0 | 0 | 0 | 112.2 | I3278 Q3279 G3280 M3319 E3354 N3355 | I3278-Y3317 PolarHBondContact O-N 3.17Å; Q3279-Y3317 WeakPolarHBondContact CA-O 3.28Å; Q3279-Y3317 VanDerWaalsContact CB-O 3.23Å; Q3279-Y3317 WeakPolarHBondContact CB-O 3.28Å; G3280-Y3317 PolarHBondContact N-O 3.11Å; G3280-Y3317 VanDerWaalsContact N-O 3.16Å; Y3317-M3319 VanDerWaalsContact C-N 3.29Å; Y3317-M3319 PolarHBondContact O-N 3.09Å; Y3317-E3354 WeakPolarHBondContact CA-O 3.2Å; Y3317-E3354 HydrophobicContact CD2-CB 3.88Å; Y3317-E3354 HydrophobicContact CD2-CG 3.77Å; Y3317-E3354 WeakPolarHBondContact CD2-O 3.41Å; Y3317-E3354 HydrophobicContact CE2-CB 4.48Å; Y3317-E3354 HydrophobicContact CE2-CG 3.86Å; Y3317-N3355 HydrophobicContact CD2-CB 4.48Å; Y3317-N3355 HydrophobicContact CE2-CB 4.26Å |
| 3318 | R | 97.4 | Very high | 91.6 | Very high | 29 Ų | 29 | 28.1 Ų | 28.1 | 11% | 0.109 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 56.9 | 41.8 | -179.3 | -50.6 | 176.6 | -61.5 | -146.5 | 15.2 | 113.1 | G3280 D3282 V3285 G3290 E3354 N3355 | G3280-R3318 PolarHBondContact N-O 3.03Å; G3280-R3318 PolarHBondContact O-NE 3.01Å; G3280-R3318 PolarHBondContact O-NH2 3.07Å; D3282-R3318 IonicContact OD1-CZ 3.22Å; D3282-R3318 IonicContact OD1-NH1 3.17Å; D3282-R3318 PolarHBondContact OD1-NH1 3.08Å; D3282-R3318 IonicContact OD1-NH2 3.06Å; D3282-R3318 PolarHBondContact OD1-NH2 3.16Å; V3285-R3318 HydrophobicContact CG2-CB 4.24Å; V3285-R3318 VanDerWaalsContact CG2-CD 3.41Å; V3285-R3318 HydrophobicContact CG2-CG 3.66Å; G3290-R3318 WeakPolarHBondContact CA-O 3.33Å; R3318-E3354 PolarHBondContact N-O 2.95Å; R3318-E3354 VanDerWaalsContact N-O 3.12Å; R3318-N3355 VanDerWaalsContact CA-O 3.32Å; R3318-N3355 WeakPolarHBondContact CA-O 3.3Å; R3318-N3355 HydrophobicContact CG-CB 4.43Å; R3318-N3355 PolarHBondContact N-O 2.95Å |
| 3319 | M | 98 | Very high | 91 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -101.1 | 163.6 | 179.5 | -66.6 | -72.3 | -75.6 | 0 | 0 | 110 | L3147 I3278 Q3279 G3291 I3293 F3316 Y3317 P3333 S3356 L3357 | L3147-M3319 HydrophobicContact CD2-CE 4.22Å; I3278-M3319 HydrophobicContact CG2-CE 3.64Å; I3278-M3319 HydrophobicContact CG2-SD 4.14Å; Q3279-M3319 VanDerWaalsContact C-SD 3.54Å; G3291-M3319 VanDerWaalsContact CA-SD 3.55Å; G3291-M3319 CarbonylContact O-C 3.53Å; G3291-M3319 WeakPolarHBondContact O-CA 3.3Å; G3291-M3319 WeakPolarHBondContact O-CB 3.24Å; G3291-M3319 VanDerWaalsContact O-CE 3.26Å; G3291-M3319 WeakPolarHBondContact O-CE 3.33Å; I3293-M3319 HydrophobicContact CG1-CE 4.47Å; F3316-M3319 HydrophobicContact CB-CG 4.3Å; F3316-M3319 HydrophobicContact CD1-CE 4.35Å; F3316-M3319 HydrophobicContact CD1-CG 4.36Å; Y3317-M3319 VanDerWaalsContact C-N 3.29Å; Y3317-M3319 PolarHBondContact O-N 3.09Å; M3319-P3333 HydrophobicContact CB-CB 3.56Å; M3319-P3333 HydrophobicContact CB-CG 3.63Å; M3319-S3356 CarbonylContact O-C 3.56Å; M3319-S3356 WeakPolarHBondContact O-CA 3.31Å; M3319-L3357 PolarHBondContact O-N 3.18Å |
| 3320 | G | 96.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | 95.7 | 153.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G3290 G3291 R3331 L3357 S3358 | G3290-G3320 VanDerWaalsContact CA-O 3.22Å; G3290-G3320 WeakPolarHBondContact CA-O 3.34Å; G3290-G3320 PolarHBondContact N-O 3.26Å; G3291-G3320 PolarHBondContact O-N 3.07Å; G3320-R3331 CarbonylContact C-O 3.51Å; G3320-R3331 WeakPolarHBondContact CA-O 3.38Å; G3320-L3357 WeakPolarHBondContact O-CB 3.45Å; G3320-S3358 VanDerWaalsContact CA-OG 3.24Å; G3320-S3358 WeakPolarHBondContact CA-OG 3.25Å | ||
| 3321 | Q | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | B | Isolated β-bridge | trans | -127.6 | 112.4 | -179.7 | -56 | 175.3 | 7.8 | 0 | 0 | 109.5 | P3165 F3289 G3290 D3323 F3324 R3331 S3358 | P3165-Q3321 PolarHBondContact O-NE2 3.23Å; P3165-Q3321 VanDerWaalsContact O-NE2 3.12Å; F3289-Q3321 HydrophobicContact CD2-CB 3.93Å; F3289-Q3321 HydrophobicContact CD2-CG 3.77Å; F3289-Q3321 HydrophobicContact CE2-CB 4.01Å; F3289-Q3321 HydrophobicContact CE2-CG 3.68Å; F3289-Q3321 HydrophobicContact CG-CG 4.29Å; F3289-Q3321 HydrophobicContact CZ-CG 4.09Å; F3289-Q3321 VanDerWaalsContact CZ-OE1 3.31Å; G3290-Q3321 VanDerWaalsContact O-CG 3.22Å; G3290-Q3321 WeakPolarHBondContact O-CG 3.38Å; G3290-Q3321 PolarHBondContact O-NE2 3.07Å; G3290-Q3321 VanDerWaalsContact O-NE2 3.15Å; Q3321-D3323 PolarHBondContact O-N 2.86Å; Q3321-F3324 HydrophobicContact CB-CD2 3.92Å; Q3321-F3324 PolarHBondContact O-N 3.14Å; Q3321-R3331 HydrophobicContact CB-CB 3.84Å; Q3321-R3331 HydrophobicContact CG-CB 4.14Å; Q3321-R3331 PolarHBondContact N-O 2.8Å; Q3321-S3358 PolarHBondContact N-OG 2.92Å |
| 3322 | K | 85.9 | Confident | 90.5 | Very high | 38.6 Ų | 38.6 | 27.9 Ų | 27.9 | 17% | 0.168 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -48.8 | -169.3 | 178.9 | -173.6 | 174.1 | -177.1 | 0 | 113.9 | K3288 F3324 L3357 L3380 S3404 E3406 | K3288-K3322 HydrophobicContact CB-CB 3.9Å; K3288-K3322 HydrophobicContact CB-CD 4.15Å; K3288-K3322 HydrophobicContact CG-CD 4.37Å; K3288-K3322 PolarHBondContact O-N 2.84Å; K3288-K3322 VanDerWaalsContact O-N 3.13Å; K3322-F3324 PolarHBondContact O-N 3.24Å; K3322-F3324 VanDerWaalsContact O-N 3.09Å; K3322-L3357 WeakPolarHBondContact CA-O 3.25Å; K3322-L3357 WeakPolarHBondContact CB-O 3.42Å; K3322-L3357 PolarHBondContact N-O 3.28Å; K3322-L3380 HydrophobicContact CB-CD2 4.35Å; K3322-L3380 HydrophobicContact CD-CD2 4.04Å; K3322-L3380 HydrophobicContact CG-CD2 3.99Å; K3322-S3404 WeakPolarHBondContact CE-O 3.4Å; K3322-E3406 VanDerWaalsContact NZ-CD 3.28Å; K3322-E3406 VanDerWaalsContact NZ-CG 3.3Å; K3322-E3406 IonicContact NZ-OE1 3.83Å; K3322-E3406 PolarHBondContact NZ-OE1 2.81Å |
| 3323 | D | 80.4 | Confident | 90.5 | Very high | 97 Ų | 97 | 27.8 Ų | 27.8 | 52% | 0.519 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 5 | -169.1 | -55.3 | -36.4 | 0 | 0 | 0 | 113.9 | R2932 Q3321 | R2932-D3323 PolarHBondContact NH1-O 2.78Å; R2932-D3323 VanDerWaalsContact NH1-O 3.16Å; Q3321-D3323 PolarHBondContact O-N 2.86Å |
| 3324 | F | 82.1 | Confident | 90.5 | Very high | 20.6 Ų | 20.6 | 27.5 Ų | 27.5 | 9% | 0.09 | 13% | 0.13 | C | C | . | . | trans | -126.9 | 68.2 | -174.7 | -62.1 | -86.5 | 0 | 0 | 0 | 111 | I3151 F3289 Q3321 K3322 D3329 R3331 | I3151-F3324 HydrophobicContact CD1-CE2 3.74Å; I3151-F3324 HydrophobicContact CD1-CZ 3.81Å; I3151-F3324 HydrophobicContact CG1-CE2 4.16Å; I3151-F3324 HydrophobicContact CG1-CZ 4.11Å; F3289-F3324 HydrophobicContact CD2-CE2 4.5Å; F3289-F3324 HydrophobicContact CE2-CD2 4.42Å; F3289-F3324 AromaticContact CE2-CE2 3.93Å; F3289-F3324 HydrophobicContact CE2-CE2 4Å; Q3321-F3324 HydrophobicContact CB-CD2 3.92Å; Q3321-F3324 PolarHBondContact O-N 3.14Å; K3322-F3324 PolarHBondContact O-N 3.24Å; K3322-F3324 VanDerWaalsContact O-N 3.09Å; F3324-D3329 CarbonylContact C-O 3.43Å; F3324-D3329 WeakPolarHBondContact CD1-OD2 3.38Å; F3324-D3329 VanDerWaalsContact O-O 3.1Å; F3324-R3331 HydrophobicContact CB-CB 3.63Å; F3324-R3331 HydrophobicContact CB-CG 3.46Å; F3324-R3331 VanDerWaalsContact CB-CG 3.47Å; F3324-R3331 HydrophobicContact CD1-CG 4.35Å; F3324-R3331 VanDerWaalsContact CD1-CZ 3.4Å; F3324-R3331 VanDerWaalsContact CD1-NE 3.32Å; F3324-R3331 HydrophobicContact CD2-CG 4.49Å; F3324-R3331 HydrophobicContact CG-CB 4.34Å; F3324-R3331 VanDerWaalsContact CG-CD 3.46Å; F3324-R3331 HydrophobicContact CG-CG 3.91Å; F3324-R3331 VanDerWaalsContact CZ-NH1 3.31Å; F3324-R3331 PolarHBondContact O-N 3.19Å | ||
| 3325 | N | 76.8 | Confident | 90.5 | Very high | 51.2 Ų | 51.2 | 27.5 Ų | 27.5 | 27% | 0.274 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 15.4 | -174.2 | 64.6 | -4 | 0 | 0 | 0 | 113.9 | W3385 | N3325-W3385 WeakPolarHBondContact O-CZ3 3.29Å |
| 3326 | T | 78.4 | Confident | 90.4 | Very high | 46.8 Ų | 46.8 | 26.8 Ų | 26.8 | 29% | 0.287 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 145.2 | 177.2 | 74 | 0 | 0 | 0 | 0 | 110.8 | P2882 R3328 D3329 A3330 | P2882-T3326 HydrophobicContact CB-CG2 4.07Å; T3326-R3328 PolarHBondContact O-N 3.01Å; T3326-D3329 CarbonylContact O-C 3.52Å; T3326-D3329 PolarHBondContact O-N 2.97Å; T3326-D3329 PolarHBondContact OG1-N 2.82Å; T3326-A3330 VanDerWaalsContact O-CA 3.3Å; T3326-A3330 WeakPolarHBondContact O-CA 3.23Å; T3326-A3330 WeakPolarHBondContact O-CB 3.25Å; T3326-A3330 PolarHBondContact O-N 2.89Å |
| 3327 | V | 82.1 | Confident | 90.2 | Very high | 58.4 Ų | 58.4 | 27 Ų | 27 | 35% | 0.354 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -25.2 | 176.4 | -143.8 | 0 | 0 | 0 | 0 | 113.6 | F3364 W3385 | V3327-F3364 HydrophobicContact CB-CB 4.42Å; V3327-F3364 HydrophobicContact CB-CD1 4.03Å; V3327-F3364 HydrophobicContact CB-CD2 4.39Å; V3327-F3364 HydrophobicContact CB-CE1 4.29Å; V3327-F3364 HydrophobicContact CB-CG 4.19Å; V3327-F3364 HydrophobicContact CB-CZ 4.41Å; V3327-F3364 HydrophobicContact CG1-CB 3.7Å; V3327-F3364 HydrophobicContact CG1-CD1 3.64Å; V3327-F3364 HydrophobicContact CG1-CD2 4.39Å; V3327-F3364 HydrophobicContact CG1-CE1 4.02Å; V3327-F3364 VanDerWaalsContact CG1-CE1 3.47Å; V3327-F3364 HydrophobicContact CG1-CG 3.9Å; V3327-F3364 HydrophobicContact CG1-CZ 4.08Å; V3327-F3364 HydrophobicContact CG2-CD1 3.89Å; V3327-F3364 HydrophobicContact CG2-CE1 3.8Å; V3327-F3364 HydrophobicContact CG2-CG 4.48Å; V3327-F3364 HydrophobicContact CG2-CZ 4.36Å; V3327-W3385 HydrophobicContact CG1-CH2 3.75Å; V3327-W3385 HydrophobicContact CG1-CZ2 3.57Å; V3327-W3385 VanDerWaalsContact CG1-CZ2 3.48Å; V3327-W3385 HydrophobicContact CG1-CZ3 4.5Å; V3327-W3385 HydrophobicContact CG2-CH2 3.95Å; V3327-W3385 HydrophobicContact CG2-CZ2 3.8Å |
| 3328 | R | 75.9 | Confident | 89.8 | Confident | 137.6 Ų | 137.6 | 25.4 Ų | 25.4 | 52% | 0.519 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -21.5 | 179.8 | -70.5 | -172.7 | -179.5 | -106.3 | 0.7 | 114.6 | F3028 T3326 | F3028-R3328 HydrophobicContact CE1-CB 4.42Å; F3028-R3328 WeakPolarHBondContact CE1-O 3.3Å; F3028-R3328 HydrophobicContact CE2-CG 4.44Å; F3028-R3328 HydrophobicContact CZ-CB 3.88Å; F3028-R3328 HydrophobicContact CZ-CG 4.09Å; F3028-R3328 WeakPolarHBondContact CZ-O 3.44Å; T3326-R3328 PolarHBondContact O-N 3.01Å |
| 3329 | D | 83 | Confident | 89.5 | Confident | 16.6 Ų | 16.6 | 24.1 Ų | 24.1 | 9% | 0.089 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 57.5 | 177.1 | -170.3 | 12.1 | 0 | 0 | 0 | 108.9 | R3292 F3324 T3326 R3331 | R3292-D3329 IonicContact NH1-OD1 3.17Å; F3324-D3329 CarbonylContact C-O 3.43Å; F3324-D3329 WeakPolarHBondContact CD1-OD2 3.38Å; F3324-D3329 VanDerWaalsContact O-O 3.1Å; T3326-D3329 CarbonylContact O-C 3.52Å; T3326-D3329 PolarHBondContact O-N 2.97Å; T3326-D3329 PolarHBondContact OG1-N 2.82Å; D3329-R3331 PolarHBondContact O-N 3.04Å; D3329-R3331 WeakPolarHBondContact OD1-CG 3.35Å; D3329-R3331 IonicContact OD1-CZ 3.26Å; D3329-R3331 IonicContact OD1-NE 3.49Å; D3329-R3331 PolarHBondContact OD1-NE 3.31Å; D3329-R3331 IonicContact OD1-NH2 3Å; D3329-R3331 IonicContact OD2-CZ 3Å; D3329-R3331 IonicContact OD2-NE 3.27Å; D3329-R3331 PolarHBondContact OD2-NE 3.03Å; D3329-R3331 IonicContact OD2-NH2 3.54Å; D3329-R3331 PolarHBondContact OD2-NH2 3.22Å |
| 3330 | A | 90.3 | Very high | 89 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 105.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | R3292 T3326 F3332 A3335 I3337 F3364 | R3292-A3330 PolarHBondContact NH2-O 3.13Å; T3326-A3330 VanDerWaalsContact O-CA 3.3Å; T3326-A3330 WeakPolarHBondContact O-CA 3.23Å; T3326-A3330 WeakPolarHBondContact O-CB 3.25Å; T3326-A3330 PolarHBondContact O-N 2.89Å; A3330-F3332 VanDerWaalsContact C-N 3.31Å; A3330-F3332 HydrophobicContact CB-CD1 4.32Å; A3330-F3332 HydrophobicContact CB-CD2 4.01Å; A3330-F3332 HydrophobicContact CB-CE1 3.96Å; A3330-F3332 HydrophobicContact CB-CE2 3.66Å; A3330-F3332 HydrophobicContact CB-CG 4.34Å; A3330-F3332 HydrophobicContact CB-CZ 3.61Å; A3330-F3332 PolarHBondContact O-N 3.02Å; A3330-A3335 HydrophobicContact CB-CB 4.3Å; A3330-A3335 VanDerWaalsContact O-CB 3.24Å; A3330-A3335 WeakPolarHBondContact O-CB 3.3Å; A3330-I3337 HydrophobicContact CB-CD1 4.18Å; A3330-F3364 HydrophobicContact CB-CD2 4.06Å; A3330-F3364 HydrophobicContact CB-CE2 3.45Å; A3330-F3364 VanDerWaalsContact CB-CE2 3.45Å; A3330-F3364 HydrophobicContact CB-CZ 4.38Å |
| 3331 | R | 93.4 | Very high | 88.8 | Confident | 13.4 Ų | 13.4 | 29.5 Ų | 29.5 | 5% | 0.051 | 16% | 0.156 | C | C | . | . | trans | -100.2 | 57.4 | -175.3 | -59.1 | -165 | -171.6 | 174.7 | 8.4 | 112.1 | G3320 Q3321 F3324 D3329 | G3320-R3331 CarbonylContact C-O 3.51Å; G3320-R3331 WeakPolarHBondContact CA-O 3.38Å; Q3321-R3331 HydrophobicContact CB-CB 3.84Å; Q3321-R3331 HydrophobicContact CG-CB 4.14Å; Q3321-R3331 PolarHBondContact N-O 2.8Å; F3324-R3331 HydrophobicContact CB-CB 3.63Å; F3324-R3331 HydrophobicContact CB-CG 3.46Å; F3324-R3331 VanDerWaalsContact CB-CG 3.47Å; F3324-R3331 HydrophobicContact CD1-CG 4.35Å; F3324-R3331 VanDerWaalsContact CD1-CZ 3.4Å; F3324-R3331 VanDerWaalsContact CD1-NE 3.32Å; F3324-R3331 HydrophobicContact CD2-CG 4.49Å; F3324-R3331 HydrophobicContact CG-CB 4.34Å; F3324-R3331 VanDerWaalsContact CG-CD 3.46Å; F3324-R3331 HydrophobicContact CG-CG 3.91Å; F3324-R3331 VanDerWaalsContact CZ-NH1 3.31Å; F3324-R3331 PolarHBondContact O-N 3.19Å; D3329-R3331 PolarHBondContact O-N 3.04Å; D3329-R3331 WeakPolarHBondContact OD1-CG 3.35Å; D3329-R3331 IonicContact OD1-CZ 3.26Å; D3329-R3331 IonicContact OD1-NE 3.49Å; D3329-R3331 PolarHBondContact OD1-NE 3.31Å; D3329-R3331 IonicContact OD1-NH2 3Å; D3329-R3331 IonicContact OD2-CZ 3Å; D3329-R3331 IonicContact OD2-NE 3.27Å; D3329-R3331 PolarHBondContact OD2-NE 3.03Å; D3329-R3331 IonicContact OD2-NH2 3.54Å; D3329-R3331 PolarHBondContact OD2-NH2 3.22Å | ||
| 3332 | F | 96.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -81.3 | 162.7 | -178.8 | -56.4 | -16.9 | 0 | 0 | 0 | 111.4 | R3292 A3330 I3334 A3335 S3358 T3359 F3364 W3385 | R3292-F3332 VanDerWaalsContact CA-O 3.31Å; R3292-F3332 WeakPolarHBondContact CA-O 3.44Å; R3292-F3332 WeakPolarHBondContact CB-O 3.35Å; A3330-F3332 VanDerWaalsContact C-N 3.31Å; A3330-F3332 HydrophobicContact CB-CD1 4.32Å; A3330-F3332 HydrophobicContact CB-CD2 4.01Å; A3330-F3332 HydrophobicContact CB-CE1 3.96Å; A3330-F3332 HydrophobicContact CB-CE2 3.66Å; A3330-F3332 HydrophobicContact CB-CG 4.34Å; A3330-F3332 HydrophobicContact CB-CZ 3.61Å; A3330-F3332 PolarHBondContact O-N 3.02Å; F3332-I3334 WeakPolarHBondContact CB-O 3.31Å; F3332-I3334 PolarHBondContact O-N 3.01Å; F3332-I3334 VanDerWaalsContact O-N 3.15Å; F3332-A3335 HydrophobicContact CB-CB 4.26Å; F3332-A3335 HydrophobicContact CD2-CB 4.3Å; F3332-A3335 HydrophobicContact CG-CB 4.49Å; F3332-S3358 WeakPolarHBondContact CA-OG 3.24Å; F3332-T3359 WeakPolarHBondContact CB-O 3.4Å; F3332-T3359 HydrophobicContact CD1-CG2 4.47Å; F3332-T3359 WeakPolarHBondContact CD1-O 3.37Å; F3332-T3359 HydrophobicContact CD2-CG2 3.8Å; F3332-T3359 HydrophobicContact CE1-CG2 4.42Å; F3332-T3359 HydrophobicContact CE2-CG2 3.61Å; F3332-T3359 HydrophobicContact CG-CG2 4.27Å; F3332-T3359 WeakPolarHBondContact CG-O 3.28Å; F3332-T3359 HydrophobicContact CZ-CG2 3.97Å; F3332-F3364 HydrophobicContact CD2-CE2 4.39Å; F3332-F3364 AromaticContact CE2-CE2 3.64Å; F3332-F3364 HydrophobicContact CE2-CE2 3.64Å; F3332-F3364 AromaticContact CE2-CZ 3.7Å; F3332-F3364 HydrophobicContact CE2-CZ 3.7Å; F3332-F3364 HydrophobicContact CZ-CE2 4.31Å; F3332-F3364 HydrophobicContact CZ-CZ 4.25Å; F3332-W3385 HydrophobicContact CE2-CE3 4.32Å; F3332-W3385 AromaticContact CZ-CE3 3.97Å; F3332-W3385 HydrophobicContact CZ-CE3 4Å; F3332-W3385 HydrophobicContact CZ-CZ3 4.3Å | ||
| 3333 | P | 98.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -43.5 | -44.2 | 165.1 | -26.6 | 32.7 | 0 | 0 | 0 | 112 | I3293 F3316 M3319 F3353 T3359 A3360 | I3293-P3333 WeakPolarHBondContact CB-O 3.31Å; I3293-P3333 WeakPolarHBondContact CG1-O 3.43Å; I3293-P3333 PolarHBondContact N-O 2.94Å; F3316-P3333 HydrophobicContact CD1-CB 4.47Å; M3319-P3333 HydrophobicContact CB-CB 3.56Å; M3319-P3333 HydrophobicContact CB-CG 3.63Å; P3333-F3353 HydrophobicContact CB-CD1 4.03Å; P3333-F3353 HydrophobicContact CB-CE1 4.1Å; P3333-F3353 HydrophobicContact CG-CD1 4.49Å; P3333-T3359 WeakPolarHBondContact CD-O 3.32Å; P3333-A3360 WeakPolarHBondContact CB-O 3.37Å; P3333-A3360 VanDerWaalsContact CD-O 3.27Å; P3333-A3360 WeakPolarHBondContact CD-O 3.27Å; P3333-A3360 HydrophobicContact CG-CB 4.4Å; P3333-A3360 WeakPolarHBondContact CG-O 3.44Å |
| 3334 | I | 98.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 125.9 | 169.4 | -58.1 | 177.8 | 0 | 0 | 0 | 110 | I3295 L3309 L3311 F3316 F3332 F3336 I3348 F3353 A3360 L3361 G3362 | I3295-I3334 HydrophobicContact CD1-CG2 3.65Å; L3309-I3334 HydrophobicContact CD2-CD1 4.05Å; L3309-I3334 HydrophobicContact CD2-CG2 3.76Å; L3311-I3334 HydrophobicContact CD1-CD1 3.84Å; F3316-I3334 HydrophobicContact CE1-CD1 4.15Å; F3316-I3334 HydrophobicContact CE1-CG1 4.04Å; F3316-I3334 HydrophobicContact CE2-CD1 3.88Å; F3316-I3334 HydrophobicContact CZ-CD1 3.62Å; F3316-I3334 HydrophobicContact CZ-CG1 4.04Å; F3332-I3334 WeakPolarHBondContact CB-O 3.31Å; F3332-I3334 PolarHBondContact O-N 3.01Å; F3332-I3334 VanDerWaalsContact O-N 3.15Å; I3334-F3336 HydrophobicContact CG2-CD2 4.12Å; I3334-F3336 HydrophobicContact CG2-CE2 3.65Å; I3334-F3336 HydrophobicContact CG2-CZ 4.48Å; I3334-I3348 HydrophobicContact CD1-CD1 3.98Å; I3334-I3348 HydrophobicContact CD1-CG1 4.4Å; I3334-I3348 HydrophobicContact CD1-CG2 4.49Å; I3334-I3348 HydrophobicContact CG2-CD1 4.21Å; I3334-F3353 HydrophobicContact CD1-CE1 3.83Å; I3334-F3353 HydrophobicContact CD1-CZ 3.64Å; I3334-F3353 HydrophobicContact CG1-CE1 4.06Å; I3334-F3353 HydrophobicContact CG1-CZ 4.37Å; I3334-A3360 PolarHBondContact N-O 3.1Å; I3334-A3360 VanDerWaalsContact N-O 3.15Å; I3334-L3361 HydrophobicContact CB-CD1 3.71Å; I3334-L3361 HydrophobicContact CG2-CD1 3.53Å; I3334-L3361 VanDerWaalsContact CG2-CD1 3.49Å; I3334-L3361 CarbonylContact O-C 3.52Å; I3334-L3361 WeakPolarHBondContact O-CA 3.17Å; I3334-G3362 PolarHBondContact O-N 3.05Å |
| 3335 | A | 97.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 123.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | I3293 I3295 A3330 F3332 I3337 G3362 | I3293-A3335 PolarHBondContact O-N 3.11Å; I3295-A3335 WeakPolarHBondContact CD1-O 3.41Å; I3295-A3335 PolarHBondContact N-O 3.15Å; A3330-A3335 HydrophobicContact CB-CB 4.3Å; A3330-A3335 VanDerWaalsContact O-CB 3.24Å; A3330-A3335 WeakPolarHBondContact O-CB 3.3Å; F3332-A3335 HydrophobicContact CB-CB 4.26Å; F3332-A3335 HydrophobicContact CD2-CB 4.3Å; F3332-A3335 HydrophobicContact CG-CB 4.49Å; A3335-I3337 HydrophobicContact CB-CD1 4.47Å; A3335-I3337 HydrophobicContact CB-CG1 4.3Å; A3335-G3362 WeakPolarHBondContact CA-O 3.34Å |
| 3336 | F | 96.9 | Very high | 90.4 | Very high | 0.2 Ų | 0.2 | 31 Ų | 31 | 0% | 0.001 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118 | 165 | -63.3 | -102.8 | 0 | 0 | 0 | 108.5 | I3295 L3309 I3334 A3339 M3342 I3348 L3361 G3362 G3363 F3364 T3366 L3369 | I3295-F3336 HydrophobicContact CB-CD1 3.6Å; I3295-F3336 HydrophobicContact CB-CE1 3.84Å; I3295-F3336 HydrophobicContact CB-CG 4.13Å; I3295-F3336 HydrophobicContact CD1-CD1 4.46Å; I3295-F3336 HydrophobicContact CD1-CD2 4.33Å; I3295-F3336 HydrophobicContact CD1-CE1 4.35Å; I3295-F3336 HydrophobicContact CD1-CE2 4.18Å; I3295-F3336 HydrophobicContact CD1-CG 4.45Å; I3295-F3336 HydrophobicContact CD1-CZ 4.2Å; I3295-F3336 HydrophobicContact CG1-CD1 4.18Å; I3295-F3336 HydrophobicContact CG1-CE1 3.98Å; I3295-F3336 HydrophobicContact CG1-CZ 4.24Å; I3295-F3336 HydrophobicContact CG2-CD1 3.64Å; I3295-F3336 HydrophobicContact CG2-CE1 3.7Å; I3295-F3336 WeakPolarHBondContact O-CA 3.36Å; L3309-F3336 HydrophobicContact CB-CE1 4.23Å; L3309-F3336 HydrophobicContact CB-CZ 3.94Å; L3309-F3336 HydrophobicContact CD2-CE2 4.34Å; L3309-F3336 HydrophobicContact CD2-CZ 3.94Å; I3334-F3336 HydrophobicContact CG2-CD2 4.12Å; I3334-F3336 HydrophobicContact CG2-CE2 3.65Å; I3334-F3336 HydrophobicContact CG2-CZ 4.48Å; F3336-A3339 HydrophobicContact CB-CB 4.19Å; F3336-A3339 HydrophobicContact CD1-CB 4.02Å; F3336-M3342 HydrophobicContact CD1-CG 4.21Å; F3336-M3342 HydrophobicContact CD1-SD 4.2Å; F3336-M3342 HydrophobicContact CE1-CG 4.33Å; F3336-M3342 HydrophobicContact CE1-SD 4.13Å; F3336-I3348 HydrophobicContact CE2-CD1 3.98Å; F3336-I3348 HydrophobicContact CZ-CD1 4.27Å; F3336-L3361 HydrophobicContact CD2-CD1 4.44Å; F3336-L3361 HydrophobicContact CE2-CD1 4.22Å; F3336-G3362 PolarHBondContact N-O 2.93Å; F3336-G3363 WeakPolarHBondContact O-CA 3.36Å; F3336-F3364 PolarHBondContact O-N 3.02Å; F3336-T3366 HydrophobicContact CB-CG2 3.91Å; F3336-T3366 HydrophobicContact CD1-CG2 4.47Å; F3336-T3366 HydrophobicContact CG-CG2 4.43Å; F3336-L3369 HydrophobicContact CD1-CD2 3.77Å; F3336-L3369 HydrophobicContact CD2-CD1 4.08Å; F3336-L3369 HydrophobicContact CD2-CD2 3.78Å; F3336-L3369 HydrophobicContact CE1-CD2 3.71Å; F3336-L3369 HydrophobicContact CE2-CD2 3.74Å; F3336-L3369 HydrophobicContact CG-CD1 4.34Å; F3336-L3369 HydrophobicContact CG-CD2 3.81Å; F3336-L3369 HydrophobicContact CZ-CD2 3.7Å |
| 3337 | I | 93.7 | Very high | 91.3 | Very high | 3.4 Ų | 3.4 | 30.3 Ų | 30.3 | 2% | 0.017 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 115.3 | 179.8 | -54.1 | -178.4 | 0 | 0 | 0 | 108 | F3028 P3161 L3294 I3295 S3296 A3330 A3335 A3339 F3364 | F3028-I3337 HydrophobicContact CE2-CG2 3.95Å; F3028-I3337 HydrophobicContact CZ-CG2 4.15Å; P3161-I3337 HydrophobicContact CB-CB 4.29Å; P3161-I3337 HydrophobicContact CB-CD1 4.44Å; P3161-I3337 HydrophobicContact CB-CG2 4Å; P3161-I3337 HydrophobicContact CG-CB 4.02Å; P3161-I3337 HydrophobicContact CG-CG2 3.66Å; L3294-I3337 HydrophobicContact CD1-CB 4.05Å; L3294-I3337 HydrophobicContact CD1-CD1 3.82Å; L3294-I3337 HydrophobicContact CD1-CG1 3.87Å; I3295-I3337 PolarHBondContact O-N 3.19Å; S3296-I3337 WeakPolarHBondContact CA-O 3.27Å; S3296-I3337 WeakPolarHBondContact CB-O 3.26Å; S3296-I3337 PolarHBondContact OG-O 3Å; A3330-I3337 HydrophobicContact CB-CD1 4.18Å; A3335-I3337 HydrophobicContact CB-CD1 4.47Å; A3335-I3337 HydrophobicContact CB-CG1 4.3Å; I3337-A3339 PolarHBondContact O-N 3.1Å; I3337-F3364 WeakPolarHBondContact CA-O 3.45Å; I3337-F3364 HydrophobicContact CG1-CD2 4.27Å |
| 3338 | S | 90.1 | Very high | 92.1 | Very high | 20.8 Ų | 20.8 | 27.6 Ų | 27.6 | 15% | 0.145 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 51.5 | 39.9 | -176.9 | -55.8 | 0 | 0 | 0 | 0 | 112.3 | Q3297 G3340 F3364 A3365 | Q3297-S3338 VanDerWaalsContact CG-O 3.32Å; Q3297-S3338 WeakPolarHBondContact CG-O 3.31Å; S3338-G3340 VanDerWaalsContact C-N 3.31Å; S3338-F3364 PolarHBondContact N-O 3.12Å; S3338-A3365 WeakPolarHBondContact CA-O 3.31Å |
| 3339 | A | 90.8 | Very high | 93.1 | Very high | 2.4 Ų | 2.4 | 22.8 Ų | 22.8 | 2% | 0.02 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | -15.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I3295 F3336 I3337 M3342 T3366 | I3295-A3339 HydrophobicContact CG2-CB 4.46Å; F3336-A3339 HydrophobicContact CB-CB 4.19Å; F3336-A3339 HydrophobicContact CD1-CB 4.02Å; I3337-A3339 PolarHBondContact O-N 3.1Å; A3339-M3342 HydrophobicContact CB-CE 3.82Å; A3339-M3342 HydrophobicContact CB-SD 4.27Å; A3339-M3342 WeakPolarHBondContact O-CE 3.32Å; A3339-T3366 HydrophobicContact CB-CG2 4.02Å; A3339-T3366 PolarHBondContact N-OG1 3.01Å |
| 3340 | G | 88.6 | Confident | 93.8 | Very high | 29.8 Ų | 29.8 | 22.8 Ų | 22.8 | 31% | 0.307 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 87.5 | -151 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S3338 T3366 T3367 | S3338-G3340 VanDerWaalsContact C-N 3.31Å; G3340-T3366 CarbonylContact O-C 3.17Å; G3340-T3366 VanDerWaalsContact O-CA 3.29Å; G3340-T3366 WeakPolarHBondContact O-CA 3.22Å; G3340-T3366 WeakPolarHBondContact O-CG2 3.33Å; G3340-T3367 PolarHBondContact O-N 2.98Å |
| 3341 | D | 90.9 | Very high | 94.2 | Very high | 81.8 Ų | 81.8 | 22.8 Ų | 22.8 | 44% | 0.437 | 13% | 0.127 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 116.7 | 179.1 | -173.4 | 12.8 | 0 | 0 | 0 | 111.7 | N3343 I3345 T3367 | D3341-N3343 VanDerWaalsContact OD1-CB 3.26Å; D3341-N3343 WeakPolarHBondContact OD1-CB 3.45Å; D3341-N3343 VanDerWaalsContact OD1-CG 3.29Å; D3341-N3343 PolarHBondContact OD1-N 3.26Å; D3341-N3343 PolarHBondContact OD1-ND2 3Å; D3341-N3343 PolarHBondContact OD2-ND2 2.94Å; D3341-N3343 VanDerWaalsContact OD2-ND2 3.16Å; D3341-I3345 VanDerWaalsContact O-CD1 3.25Å; D3341-I3345 WeakPolarHBondContact O-CD1 3.31Å; D3341-T3367 WeakPolarHBondContact CA-OG1 3.38Å; D3341-T3367 WeakPolarHBondContact CB-OG1 3.31Å; D3341-T3367 PolarHBondContact OD1-OG1 3.05Å; D3341-T3367 VanDerWaalsContact OD1-OG1 3.1Å |
| 3342 | M | 92.8 | Very high | 94.4 | Very high | 1.6 Ų | 1.6 | 22.1 Ų | 22.1 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | trans | -92.9 | 3.2 | -177.1 | -66 | -62.7 | 107.9 | 0 | 0 | 114.2 | F3336 A3339 N3344 I3345 S3346 T3366 T3367 G3368 L3369 | F3336-M3342 HydrophobicContact CD1-CG 4.21Å; F3336-M3342 HydrophobicContact CD1-SD 4.2Å; F3336-M3342 HydrophobicContact CE1-CG 4.33Å; F3336-M3342 HydrophobicContact CE1-SD 4.13Å; A3339-M3342 HydrophobicContact CB-CE 3.82Å; A3339-M3342 HydrophobicContact CB-SD 4.27Å; A3339-M3342 WeakPolarHBondContact O-CE 3.32Å; M3342-N3344 PolarHBondContact O-N 3.07Å; M3342-I3345 HydrophobicContact CB-CG1 4.47Å; M3342-I3345 HydrophobicContact CE-CD1 3.79Å; M3342-I3345 HydrophobicContact CE-CG1 4.47Å; M3342-I3345 VanDerWaalsContact O-CG1 3.31Å; M3342-I3345 WeakPolarHBondContact O-CG1 3.4Å; M3342-I3345 PolarHBondContact O-N 3.16Å; M3342-I3345 VanDerWaalsContact O-N 3.1Å; M3342-I3345 HydrophobicContact SD-CD1 4.09Å; M3342-I3345 HydrophobicContact SD-CG1 4.21Å; M3342-S3346 PolarHBondContact O-N 3.1Å; M3342-S3346 VanDerWaalsContact O-N 3.16Å; M3342-S3346 PolarHBondContact SD-OG 3.18Å; M3342-T3366 HydrophobicContact CG-CG2 3.62Å; M3342-T3367 WeakPolarHBondContact CB-O 3.31Å; M3342-T3367 PolarHBondContact N-O 3.22Å; M3342-G3368 CarbonylContact C-O 3.44Å; M3342-L3369 HydrophobicContact CB-CD2 3.79Å; M3342-L3369 HydrophobicContact CB-CG 4.39Å; M3342-L3369 HydrophobicContact CG-CD2 3.64Å; M3342-L3369 HydrophobicContact CG-CG 4.44Å | ||
| 3343 | N | 89.4 | Confident | 94.5 | Very high | 52 Ų | 52 | 22.1 Ų | 22.1 | 28% | 0.278 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 124.1 | 178.6 | -83.9 | -48 | 0 | 0 | 0 | 111.8 | D3341 I3345 G3368 | D3341-N3343 VanDerWaalsContact OD1-CB 3.26Å; D3341-N3343 WeakPolarHBondContact OD1-CB 3.45Å; D3341-N3343 VanDerWaalsContact OD1-CG 3.29Å; D3341-N3343 PolarHBondContact OD1-N 3.26Å; D3341-N3343 PolarHBondContact OD1-ND2 3Å; D3341-N3343 PolarHBondContact OD2-ND2 2.94Å; D3341-N3343 VanDerWaalsContact OD2-ND2 3.16Å; N3343-I3345 PolarHBondContact O-N 3.07Å; N3343-G3368 PolarHBondContact N-O 3.03Å; N3343-G3368 WeakPolarHBondContact OD1-CA 3.31Å |
| 3344 | N | 86.4 | Confident | 94.5 | Very high | 154.8 Ų | 154.8 | 22.4 Ų | 22.4 | 83% | 0.828 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 5.3 | 179 | -53.7 | -40.8 | 0 | 0 | 0 | 116.1 | M3342 | M3342-N3344 PolarHBondContact O-N 3.07Š|
| 3345 | I | 89.9 | Confident | 94.4 | Very high | 28.4 Ų | 28.4 | 24.5 Ų | 24.5 | 15% | 0.146 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -29.8 | -178.2 | 62.1 | 169.1 | 0 | 0 | 0 | 113.9 | V3040 Q3308 K3310 D3341 M3342 N3343 | V3040-I3345 HydrophobicContact CB-CD1 4.31Å; V3040-I3345 HydrophobicContact CG1-CD1 3.92Å; V3040-I3345 HydrophobicContact CG2-CD1 4.15Å; Q3308-I3345 HydrophobicContact CG-CB 4.44Å; Q3308-I3345 HydrophobicContact CG-CD1 4.32Å; K3310-I3345 WeakPolarHBondContact CE-O 3.26Å; K3310-I3345 WeakPolarHBondContact CG-O 2.99Å; D3341-I3345 VanDerWaalsContact O-CD1 3.25Å; D3341-I3345 WeakPolarHBondContact O-CD1 3.31Å; M3342-I3345 HydrophobicContact CB-CG1 4.47Å; M3342-I3345 HydrophobicContact CE-CD1 3.79Å; M3342-I3345 HydrophobicContact CE-CG1 4.47Å; M3342-I3345 VanDerWaalsContact O-CG1 3.31Å; M3342-I3345 WeakPolarHBondContact O-CG1 3.4Å; M3342-I3345 PolarHBondContact O-N 3.16Å; M3342-I3345 VanDerWaalsContact O-N 3.1Å; M3342-I3345 HydrophobicContact SD-CD1 4.09Å; M3342-I3345 HydrophobicContact SD-CG1 4.21Å; N3343-I3345 PolarHBondContact O-N 3.07Å |
| 3346 | S | 94.8 | Very high | 94.3 | Very high | 2.4 Ų | 2.4 | 24.6 Ų | 24.6 | 2% | 0.017 | 14% | 0.138 | C | C | . | . | trans | -126.4 | 142.5 | 174.1 | -63.6 | 0 | 0 | 0 | 0 | 111.4 | Q3308 L3309 M3342 | Q3308-S3346 WeakPolarHBondContact CA-OG 3.3Å; L3309-S3346 PolarHBondContact N-OG 3.24Å; L3309-S3346 CarbonylContact O-C 3.52Å; L3309-S3346 WeakPolarHBondContact O-CA 3.28Å; L3309-S3346 WeakPolarHBondContact O-CB 3.38Å; L3309-S3346 PolarHBondContact O-OG 2.97Å; M3342-S3346 PolarHBondContact O-N 3.1Å; M3342-S3346 VanDerWaalsContact O-N 3.16Å; M3342-S3346 PolarHBondContact SD-OG 3.18Å | ||
| 3347 | Y | 97 | Very high | 94.3 | Very high | 33.6 Ų | 33.6 | 25 Ų | 25 | 13% | 0.132 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 150.4 | 175.9 | 55.4 | -98.4 | 0 | 0 | 0 | 111.6 | L3134 H3177 L3309 K3310 L3311 K3349 Y3370 | L3134-Y3347 HydrophobicContact CD1-CE1 4.47Å; L3134-Y3347 HydrophobicContact CD1-CE2 3.99Å; L3134-Y3347 HydrophobicContact CG-CE2 4.32Å; H3177-Y3347 PolarHBondContact CE1-OH 3.12Å; H3177-Y3347 VanDerWaalsContact CE1-OH 3.31Å; H3177-Y3347 AromaticContact NE2-CE2 3.52Å; H3177-Y3347 WeakPolarHBondContact NE2-CE2 3.37Å; H3177-Y3347 AromaticContact NE2-CZ 3.54Å; H3177-Y3347 PolarHBondContact NE2-OH 3.12Å; L3309-Y3347 PolarHBondContact O-N 3.25Å; K3310-Y3347 HydrophobicContact CB-CD1 4.47Å; K3310-Y3347 HydrophobicContact CB-CE1 3.9Å; K3310-Y3347 HydrophobicContact CB-CE2 3.99Å; K3310-Y3347 HydrophobicContact CD-CE1 3.95Å; K3310-Y3347 HydrophobicContact CG-CD1 4.13Å; K3310-Y3347 HydrophobicContact CG-CE1 3.66Å; L3311-Y3347 PolarHBondContact N-O 3.07Å; Y3347-K3349 HydrophobicContact CD2-CB 4.49Å; Y3347-K3349 HydrophobicContact CD2-CD 3.94Å; Y3347-K3349 HydrophobicContact CD2-CG 3.83Å; Y3347-K3349 HydrophobicContact CE2-CD 4.48Å; Y3347-K3349 HydrophobicContact CG-CD 4.43Å; Y3347-K3349 HydrophobicContact CG-CG 4.39Å; Y3347-Y3370 VanDerWaalsContact CA-O 3.3Å; Y3347-Y3370 WeakPolarHBondContact CA-O 3.24Å |
| 3348 | I | 98.2 | Very high | 94.3 | Very high | 1.2 Ų | 1.2 | 25.1 Ų | 25.1 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 106.1 | 174.3 | -52.8 | 140.6 | 0 | 0 | 0 | 106.6 | L3309 I3334 F3336 C3351 F3353 L3361 Y3370 I3371 E3372 N3374 | L3309-I3348 HydrophobicContact CD2-CD1 4.4Å; L3309-I3348 HydrophobicContact CD2-CG1 4.43Å; I3334-I3348 HydrophobicContact CD1-CD1 3.98Å; I3334-I3348 HydrophobicContact CD1-CG1 4.4Å; I3334-I3348 HydrophobicContact CD1-CG2 4.49Å; I3334-I3348 HydrophobicContact CG2-CD1 4.21Å; F3336-I3348 HydrophobicContact CE2-CD1 3.98Å; F3336-I3348 HydrophobicContact CZ-CD1 4.27Å; I3348-C3351 HydrophobicContact CG2-CB 3.97Å; I3348-F3353 HydrophobicContact CG2-CE2 4.45Å; I3348-F3353 HydrophobicContact CG2-CZ 4.36Å; I3348-L3361 HydrophobicContact CD1-CD1 3.86Å; I3348-L3361 VanDerWaalsContact CD1-CD1 3.45Å; I3348-L3361 HydrophobicContact CD1-CD2 4.03Å; I3348-L3361 HydrophobicContact CD1-CG 4.31Å; I3348-Y3370 PolarHBondContact N-O 2.95Å; I3348-I3371 HydrophobicContact CD1-CG1 4.06Å; I3348-I3371 WeakPolarHBondContact O-CA 3.23Å; I3348-E3372 PolarHBondContact O-N 3.04Å; I3348-N3374 PolarHBondContact O-ND2 2.97Å; I3348-N3374 PolarHBondContact O-OD1 2.98Å |
| 3349 | K | 97.7 | Very high | 94.5 | Very high | 36 Ų | 36 | 24.3 Ų | 24.3 | 16% | 0.157 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134.4 | -171.6 | -64.5 | -170.9 | 173.8 | -132.5 | 0 | 111.8 | L3134 L3311 S3312 D3313 Y3347 C3351 Y3370 E3372 | L3134-K3349 HydrophobicContact CD1-CD 4.47Å; L3134-K3349 HydrophobicContact CD2-CD 4.49Å; L3311-K3349 PolarHBondContact O-N 3.21Å; S3312-K3349 CarbonylContact C-O 3.46Å; S3312-K3349 WeakPolarHBondContact CA-O 3.32Å; D3313-K3349 PolarHBondContact N-O 3.01Å; Y3347-K3349 HydrophobicContact CD2-CB 4.49Å; Y3347-K3349 HydrophobicContact CD2-CD 3.94Å; Y3347-K3349 HydrophobicContact CD2-CG 3.83Å; Y3347-K3349 HydrophobicContact CE2-CD 4.48Å; Y3347-K3349 HydrophobicContact CG-CD 4.43Å; Y3347-K3349 HydrophobicContact CG-CG 4.39Å; K3349-C3351 PolarHBondContact O-N 2.93Å; K3349-C3351 PolarHBondContact O-SG 3.18Å; K3349-Y3370 VanDerWaalsContact CE-CE1 3.44Å; K3349-Y3370 VanDerWaalsContact NZ-CE1 3.28Å; K3349-Y3370 PolarHBondContact NZ-OH 3.2Å; K3349-E3372 CarbonylContact C-O 3.44Å; K3349-E3372 WeakPolarHBondContact CA-O 3.38Å; K3349-E3372 WeakPolarHBondContact CE-OE2 3.38Å; K3349-E3372 HydrophobicContact CG-CB 4.31Å; K3349-E3372 IonicContact NZ-OE2 3.2Å; K3349-E3372 PolarHBondContact NZ-OE2 2.74Å |
| 3350 | S | 97.4 | Very high | 94.9 | Very high | 16.6 Ų | 16.6 | 24.2 Ų | 24.2 | 12% | 0.116 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 55.2 | 16.2 | 172.5 | -56.8 | 0 | 0 | 0 | 0 | 115.2 | R3184 D3313 E3372 N3373 N3374 | R3184-S3350 PolarHBondContact NE-O 3.05Å; R3184-S3350 VanDerWaalsContact NE-O 3.16Å; R3184-S3350 PolarHBondContact NH2-O 3.05Å; D3313-S3350 WeakPolarHBondContact CA-O 3.29Å; D3313-S3350 VanDerWaalsContact OD1-CB 3.3Å; D3313-S3350 WeakPolarHBondContact OD1-CB 3.3Å; S3350-E3372 PolarHBondContact N-O 3.16Å; S3350-N3373 VanDerWaalsContact CA-O 3.27Å; S3350-N3373 WeakPolarHBondContact CA-O 3.41Å; S3350-N3373 PolarHBondContact OG-ND2 3.06Å; S3350-N3374 PolarHBondContact N-OD1 3.02Å |
| 3351 | C | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | trans | -78.7 | 159.5 | -177.9 | -64 | 0 | 0 | 0 | 0 | 110.6 | V3314 F3316 I3348 K3349 F3353 N3374 I3375 | V3314-C3351 CarbonylContact O-C 3.45Å; V3314-C3351 VanDerWaalsContact O-CA 3.25Å; V3314-C3351 WeakPolarHBondContact O-CA 3.38Å; V3314-C3351 VanDerWaalsContact O-CB 3.3Å; V3314-C3351 WeakPolarHBondContact O-CB 3.26Å; F3316-C3351 HydrophobicContact CE2-CB 4.44Å; I3348-C3351 HydrophobicContact CG2-CB 3.97Å; K3349-C3351 PolarHBondContact O-N 2.93Å; K3349-C3351 PolarHBondContact O-SG 3.18Å; C3351-F3353 HydrophobicContact CB-CE2 4.06Å; C3351-N3374 WeakPolarHBondContact CA-OD1 3.26Å; C3351-N3374 VanDerWaalsContact CB-OD1 3.26Å; C3351-N3374 WeakPolarHBondContact CB-OD1 3.28Å; C3351-N3374 PolarHBondContact N-OD1 3.1Å; C3351-N3374 CarbonylContact O-C 3.54Å; C3351-N3374 WeakPolarHBondContact O-CA 3.21Å; C3351-N3374 WeakPolarHBondContact O-CB 3.42Å; C3351-I3375 PolarHBondContact O-N 3.24Å | ||
| 3352 | L | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.8 | 179.1 | 172.1 | 67.2 | 0 | 0 | 0 | 109.4 | I3272 V3314 H3315 F3316 E3354 I3375 | I3272-L3352 HydrophobicContact CB-CD2 4Å; I3272-L3352 HydrophobicContact CG1-CD1 4.35Å; I3272-L3352 HydrophobicContact CG1-CD2 4.21Å; I3272-L3352 HydrophobicContact CG2-CD2 3.61Å; V3314-L3352 PolarHBondContact O-N 2.99Å; H3315-L3352 CarbonylContact C-O 3.48Å; H3315-L3352 WeakPolarHBondContact CA-O 3.28Å; H3315-L3352 HydrophobicContact CB-CB 4.42Å; H3315-L3352 HydrophobicContact CB-CD2 4.39Å; H3315-L3352 VanDerWaalsContact CD2-CD2 3.43Å; H3315-L3352 WeakPolarHBondContact CD2-CD2 3.25Å; H3315-L3352 VanDerWaalsContact CD2-CG 3.48Å; H3315-L3352 WeakPolarHBondContact CD2-CG 3.43Å; H3315-L3352 WeakPolarHBondContact NE2-CD2 3.2Å; F3316-L3352 PolarHBondContact N-O 3.25Å; L3352-E3354 HydrophobicContact CG-CB 4.5Å; L3352-I3375 CarbonylContact C-O 3.55Å; L3352-I3375 WeakPolarHBondContact CA-O 3.32Å; L3352-I3375 HydrophobicContact CD1-CB 3.75Å; L3352-I3375 HydrophobicContact CD1-CG2 3.74Å |
| 3353 | F | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 111 | 171.5 | -61.3 | -101.2 | 0 | 0 | 0 | 107.6 | F3316 P3333 I3334 I3348 C3351 A3360 I3375 F3376 Y3377 | F3316-F3353 HydrophobicContact CB-CD1 3.7Å; F3316-F3353 HydrophobicContact CB-CE1 4.11Å; F3316-F3353 HydrophobicContact CB-CG 4.27Å; F3316-F3353 HydrophobicContact CD1-CE1 4.44Å; F3316-F3353 AromaticContact CD2-CD1 3.93Å; F3316-F3353 HydrophobicContact CD2-CD1 3.93Å; F3316-F3353 AromaticContact CD2-CE1 3.56Å; F3316-F3353 HydrophobicContact CD2-CE1 3.56Å; F3316-F3353 HydrophobicContact CD2-CE2 4.26Å; F3316-F3353 HydrophobicContact CD2-CG 4.43Å; F3316-F3353 AromaticContact CD2-CZ 3.74Å; F3316-F3353 HydrophobicContact CD2-CZ 3.74Å; F3316-F3353 HydrophobicContact CE2-CE1 4.11Å; F3316-F3353 AromaticContact CE2-CZ 3.98Å; F3316-F3353 HydrophobicContact CE2-CZ 4Å; F3316-F3353 AromaticContact CG-CD1 3.9Å; F3316-F3353 HydrophobicContact CG-CD1 3.9Å; F3316-F3353 AromaticContact CG-CE1 3.76Å; F3316-F3353 HydrophobicContact CG-CE1 3.76Å; F3316-F3353 HydrophobicContact CG-CZ 4.41Å; F3316-F3353 CarbonylContact O-C 3.58Å; F3316-F3353 WeakPolarHBondContact O-CA 3.34Å; P3333-F3353 HydrophobicContact CB-CD1 4.03Å; P3333-F3353 HydrophobicContact CB-CE1 4.1Å; P3333-F3353 HydrophobicContact CG-CD1 4.49Å; I3334-F3353 HydrophobicContact CD1-CE1 3.83Å; I3334-F3353 HydrophobicContact CD1-CZ 3.64Å; I3334-F3353 HydrophobicContact CG1-CE1 4.06Å; I3334-F3353 HydrophobicContact CG1-CZ 4.37Å; I3348-F3353 HydrophobicContact CG2-CE2 4.45Å; I3348-F3353 HydrophobicContact CG2-CZ 4.36Å; C3351-F3353 HydrophobicContact CB-CE2 4.06Å; F3353-A3360 HydrophobicContact CB-CB 4.29Å; F3353-A3360 HydrophobicContact CD1-CB 4.05Å; F3353-A3360 HydrophobicContact CG-CB 4.29Å; F3353-I3375 PolarHBondContact N-O 3.23Å; F3353-F3376 HydrophobicContact CB-CD1 3.73Å; F3353-F3376 HydrophobicContact CB-CE1 4.31Å; F3353-F3376 HydrophobicContact CB-CG 4.4Å; F3353-F3376 HydrophobicContact CD1-CD1 4.41Å; F3353-F3376 HydrophobicContact CD1-CE1 4.21Å; F3353-F3376 AromaticContact CD2-CD1 3.48Å; F3353-F3376 HydrophobicContact CD2-CD1 3.48Å; F3353-F3376 VanDerWaalsContact CD2-CD1 3.47Å; F3353-F3376 AromaticContact CD2-CE1 3.27Å; F3353-F3376 HydrophobicContact CD2-CE1 3.27Å; F3353-F3376 HydrophobicContact CD2-CE2 4.46Å; F3353-F3376 HydrophobicContact CD2-CG 4.18Å; F3353-F3376 AromaticContact CD2-CZ 3.82Å; F3353-F3376 HydrophobicContact CD2-CZ 3.82Å; F3353-F3376 HydrophobicContact CE1-CE1 4.37Å; F3353-F3376 HydrophobicContact CE2-CD1 4.19Å; F3353-F3376 AromaticContact CE2-CE1 3.5Å; F3353-F3376 HydrophobicContact CE2-CE1 3.5Å; F3353-F3376 VanDerWaalsContact CE2-CE1 3.49Å; F3353-F3376 AromaticContact CE2-CZ 3.74Å; F3353-F3376 HydrophobicContact CE2-CZ 3.74Å; F3353-F3376 AromaticContact CG-CD1 3.62Å; F3353-F3376 HydrophobicContact CG-CD1 3.62Å; F3353-F3376 AromaticContact CG-CE1 3.68Å; F3353-F3376 HydrophobicContact CG-CE1 3.68Å; F3353-F3376 HydrophobicContact CZ-CE1 4.05Å; F3353-F3376 HydrophobicContact CZ-CZ 4.47Å; F3353-Y3377 PolarHBondContact O-N 3.06Å |
| 3354 | E | 97.8 | Very high | 96.1 | Very high | 4.4 Ų | 4.4 | 16.5 Ų | 16.5 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 130 | -180 | 179.2 | -178.2 | -179.3 | 0 | 0 | 109.9 | R3213 I3272 H3315 F3316 Y3317 R3318 L3352 S3356 Y3377 | R3213-E3354 IonicContact CZ-OE1 3.27Å; R3213-E3354 IonicContact CZ-OE2 3.24Å; R3213-E3354 IonicContact NH1-OE1 3.28Å; R3213-E3354 PolarHBondContact NH1-OE1 2.98Å; R3213-E3354 VanDerWaalsContact NH1-OE1 3.13Å; R3213-E3354 IonicContact NH1-OE2 2.97Å; R3213-E3354 PolarHBondContact NH1-OE2 3.05Å; R3213-E3354 IonicContact NH2-OE1 3.12Å; R3213-E3354 PolarHBondContact NH2-OE1 2.84Å; R3213-E3354 IonicContact NH2-OE2 3.19Å; I3272-E3354 WeakPolarHBondContact CG2-OE2 3.4Å; H3315-E3354 IonicContact CE1-OE2 3.1Å; H3315-E3354 PolarHBondContact CE1-OE2 3.16Å; H3315-E3354 WeakPolarHBondContact NE2-CB 3.26Å; H3315-E3354 IonicContact NE2-OE2 3.19Å; H3315-E3354 PolarHBondContact NE2-OE2 3.07Å; F3316-E3354 PolarHBondContact O-N 3.1Å; Y3317-E3354 WeakPolarHBondContact CA-O 3.2Å; Y3317-E3354 HydrophobicContact CD2-CB 3.88Å; Y3317-E3354 HydrophobicContact CD2-CG 3.77Å; Y3317-E3354 WeakPolarHBondContact CD2-O 3.41Å; Y3317-E3354 HydrophobicContact CE2-CB 4.48Å; Y3317-E3354 HydrophobicContact CE2-CG 3.86Å; R3318-E3354 PolarHBondContact N-O 2.95Å; R3318-E3354 VanDerWaalsContact N-O 3.12Å; L3352-E3354 HydrophobicContact CG-CB 4.5Å; E3354-S3356 PolarHBondContact O-N 2.81Å; E3354-Y3377 WeakPolarHBondContact CA-O 3.4Å; E3354-Y3377 HydrophobicContact CG-CD1 4.18Å |
| 3355 | N | 96.4 | Very high | 96.3 | Very high | 44.6 Ų | 44.6 | 11.8 Ų | 11.8 | 24% | 0.239 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 54.2 | 53.7 | 179.1 | -66.9 | -21 | 0 | 0 | 0 | 112.2 | Y3317 R3318 L3357 Y3377 K3378 | Y3317-N3355 HydrophobicContact CD2-CB 4.48Å; Y3317-N3355 HydrophobicContact CE2-CB 4.26Å; R3318-N3355 VanDerWaalsContact CA-O 3.32Å; R3318-N3355 WeakPolarHBondContact CA-O 3.3Å; R3318-N3355 HydrophobicContact CG-CB 4.43Å; R3318-N3355 PolarHBondContact N-O 2.95Å; N3355-L3357 PolarHBondContact O-N 3.19Å; N3355-Y3377 PolarHBondContact N-O 3.01Å; N3355-K3378 CarbonylContact C-O 3.44Å; N3355-K3378 VanDerWaalsContact CA-O 3.24Å; N3355-K3378 WeakPolarHBondContact CA-O 3.2Å; N3355-K3378 PolarHBondContact N-O 3.11Å; N3355-K3378 WeakPolarHBondContact OD1-CB 3.34Å; N3355-K3378 WeakPolarHBondContact OD1-CD 3.23Å |
| 3356 | S | 97.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 10.5 Ų | 10.5 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 126.5 | 174.7 | -61.4 | 0 | 0 | 0 | 0 | 109.8 | M3319 E3354 S3358 A3360 K3378 L3380 | M3319-S3356 CarbonylContact O-C 3.56Å; M3319-S3356 WeakPolarHBondContact O-CA 3.31Å; E3354-S3356 PolarHBondContact O-N 2.81Å; S3356-S3358 VanDerWaalsContact C-N 3.26Å; S3356-S3358 WeakPolarHBondContact CB-O 3.24Å; S3356-S3358 PolarHBondContact O-N 3.16Å; S3356-A3360 WeakPolarHBondContact OG-CB 3.31Å; S3356-K3378 PolarHBondContact N-O 3Å; S3356-L3380 WeakPolarHBondContact O-CB 3.37Å; S3356-L3380 PolarHBondContact O-N 3Å |
| 3357 | L | 95.7 | Very high | 96.4 | Very high | 9 Ų | 9 | 12.3 Ų | 12.3 | 5% | 0.047 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -89.2 | 8.7 | -174.1 | -54.5 | 171.1 | 0 | 0 | 0 | 112.9 | S3284 V3285 K3288 M3319 G3320 K3322 N3355 | S3284-L3357 WeakPolarHBondContact O-CD1 3.4Å; V3285-L3357 HydrophobicContact CG2-CD2 4.47Å; K3288-L3357 HydrophobicContact CD-CD2 4.09Å; M3319-L3357 PolarHBondContact O-N 3.18Å; G3320-L3357 WeakPolarHBondContact O-CB 3.45Å; K3322-L3357 WeakPolarHBondContact CA-O 3.25Å; K3322-L3357 WeakPolarHBondContact CB-O 3.42Å; K3322-L3357 PolarHBondContact N-O 3.28Å; N3355-L3357 PolarHBondContact O-N 3.19Å |
| 3358 | S | 93.7 | Very high | 96.3 | Very high | 4.2 Ų | 4.2 | 10.8 Ų | 10.8 | 3% | 0.029 | 7% | 0.068 | C | C | . | . | S | Bend | trans | -156.5 | -172 | 172.9 | 66.2 | 0 | 0 | 0 | 0 | 107.6 | G3320 Q3321 F3332 S3356 A3360 T3379 L3380 | G3320-S3358 VanDerWaalsContact CA-OG 3.24Å; G3320-S3358 WeakPolarHBondContact CA-OG 3.25Å; Q3321-S3358 PolarHBondContact N-OG 2.92Å; F3332-S3358 WeakPolarHBondContact CA-OG 3.24Å; S3356-S3358 VanDerWaalsContact C-N 3.26Å; S3356-S3358 WeakPolarHBondContact CB-O 3.24Å; S3356-S3358 PolarHBondContact O-N 3.16Å; S3358-A3360 PolarHBondContact O-N 3Å; S3358-T3379 VanDerWaalsContact O-CG2 3.3Å; S3358-T3379 WeakPolarHBondContact O-CG2 3.37Å; S3358-L3380 CarbonylContact C-O 3.58Å; S3358-L3380 WeakPolarHBondContact CA-O 3.4Å |
| 3359 | T | 95.5 | Very high | 96.2 | Very high | 4.6 Ų | 4.6 | 10.9 Ų | 10.9 | 3% | 0.028 | 7% | 0.068 | C | C | . | . | trans | -49 | 135.4 | 163.3 | -62.7 | 0 | 0 | 0 | 0 | 110.3 | F3332 P3333 L3380 S3382 W3385 | F3332-T3359 WeakPolarHBondContact CB-O 3.4Å; F3332-T3359 HydrophobicContact CD1-CG2 4.47Å; F3332-T3359 WeakPolarHBondContact CD1-O 3.37Å; F3332-T3359 HydrophobicContact CD2-CG2 3.8Å; F3332-T3359 HydrophobicContact CE1-CG2 4.42Å; F3332-T3359 HydrophobicContact CE2-CG2 3.61Å; F3332-T3359 HydrophobicContact CG-CG2 4.27Å; F3332-T3359 WeakPolarHBondContact CG-O 3.28Å; F3332-T3359 HydrophobicContact CZ-CG2 3.97Å; P3333-T3359 WeakPolarHBondContact CD-O 3.32Å; T3359-L3380 PolarHBondContact N-O 3.14Å; T3359-S3382 CarbonylContact C-O 3.54Å; T3359-S3382 WeakPolarHBondContact CA-O 3.35Å; T3359-S3382 WeakPolarHBondContact CB-O 3.37Å; T3359-S3382 VanDerWaalsContact CG2-O 3.29Å; T3359-S3382 WeakPolarHBondContact CG2-O 3.26Å; T3359-S3382 PolarHBondContact OG1-N 2.78Å; T3359-W3385 HydrophobicContact CG2-CB 3.9Å | ||
| 3360 | A | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -82.1 | -42.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P3333 I3334 F3353 S3356 S3358 F3376 T3379 S3382 A3383 | P3333-A3360 WeakPolarHBondContact CB-O 3.37Å; P3333-A3360 VanDerWaalsContact CD-O 3.27Å; P3333-A3360 WeakPolarHBondContact CD-O 3.27Å; P3333-A3360 HydrophobicContact CG-CB 4.4Å; P3333-A3360 WeakPolarHBondContact CG-O 3.44Å; I3334-A3360 PolarHBondContact N-O 3.1Å; I3334-A3360 VanDerWaalsContact N-O 3.15Å; F3353-A3360 HydrophobicContact CB-CB 4.29Å; F3353-A3360 HydrophobicContact CD1-CB 4.05Å; F3353-A3360 HydrophobicContact CG-CB 4.29Å; S3356-A3360 WeakPolarHBondContact OG-CB 3.31Å; S3358-A3360 PolarHBondContact O-N 3Å; A3360-F3376 HydrophobicContact CB-CD1 3.61Å; A3360-F3376 HydrophobicContact CB-CE1 3.91Å; A3360-T3379 HydrophobicContact CB-CG2 3.91Å; A3360-S3382 PolarHBondContact N-O 3.06Å; A3360-S3382 VanDerWaalsContact N-O 3.13Å; A3360-A3383 WeakPolarHBondContact CB-O 3.34Å; A3360-A3383 PolarHBondContact N-O 3.07Å |
| 3361 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 125.7 | 179.7 | 175.3 | 59.8 | 0 | 0 | 0 | 111.1 | I3334 F3336 I3348 I3371 F3376 A3383 I3384 W3385 | I3334-L3361 HydrophobicContact CB-CD1 3.71Å; I3334-L3361 HydrophobicContact CG2-CD1 3.53Å; I3334-L3361 VanDerWaalsContact CG2-CD1 3.49Å; I3334-L3361 CarbonylContact O-C 3.52Å; I3334-L3361 WeakPolarHBondContact O-CA 3.17Å; F3336-L3361 HydrophobicContact CD2-CD1 4.44Å; F3336-L3361 HydrophobicContact CE2-CD1 4.22Å; I3348-L3361 HydrophobicContact CD1-CD1 3.86Å; I3348-L3361 VanDerWaalsContact CD1-CD1 3.45Å; I3348-L3361 HydrophobicContact CD1-CD2 4.03Å; I3348-L3361 HydrophobicContact CD1-CG 4.31Å; L3361-I3371 HydrophobicContact CD2-CD1 3.46Å; L3361-I3371 VanDerWaalsContact CD2-CD1 3.46Å; L3361-I3371 HydrophobicContact CD2-CG1 3.77Å; L3361-I3371 HydrophobicContact CD2-CG2 3.92Å; L3361-I3371 HydrophobicContact CG-CD1 4.36Å; L3361-F3376 HydrophobicContact CB-CE1 4Å; L3361-F3376 HydrophobicContact CB-CZ 4.3Å; L3361-F3376 HydrophobicContact CD2-CZ 4.18Å; L3361-A3383 PolarHBondContact N-O 2.99Å; L3361-I3384 HydrophobicContact CB-CG1 4.46Å; L3361-I3384 HydrophobicContact CD2-CG1 4.49Å; L3361-I3384 CarbonylContact O-C 3.54Å; L3361-I3384 WeakPolarHBondContact O-CA 3.34Å; L3361-W3385 PolarHBondContact O-N 3.16Å |
| 3362 | G | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 145.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I3334 A3335 F3336 W3385 | I3334-G3362 PolarHBondContact O-N 3.05Å; A3335-G3362 WeakPolarHBondContact CA-O 3.34Å; F3336-G3362 PolarHBondContact N-O 2.93Å; G3362-W3385 CarbonylContact C-O 3.46Å; G3362-W3385 VanDerWaalsContact CA-O 3.24Å; G3362-W3385 WeakPolarHBondContact CA-O 3.25Å |
| 3363 | G | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 116.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | F3336 W3385 T3387 | F3336-G3363 WeakPolarHBondContact O-CA 3.36Å; G3363-W3385 PolarHBondContact N-O 3.17Å; G3363-T3387 PolarHBondContact O-N 3.06Å; G3363-T3387 PolarHBondContact O-OG1 3.05Å |
| 3364 | F | 94.4 | Very high | 96.2 | Very high | 4.4 Ų | 4.4 | 14.7 Ų | 14.7 | 2% | 0.019 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 131.2 | -172.8 | -52.6 | -63.1 | 0 | 0 | 0 | 111.5 | V3327 A3330 F3332 F3336 I3337 S3338 T3366 W3385 T3387 | V3327-F3364 HydrophobicContact CB-CB 4.42Å; V3327-F3364 HydrophobicContact CB-CD1 4.03Å; V3327-F3364 HydrophobicContact CB-CD2 4.39Å; V3327-F3364 HydrophobicContact CB-CE1 4.29Å; V3327-F3364 HydrophobicContact CB-CG 4.19Å; V3327-F3364 HydrophobicContact CB-CZ 4.41Å; V3327-F3364 HydrophobicContact CG1-CB 3.7Å; V3327-F3364 HydrophobicContact CG1-CD1 3.64Å; V3327-F3364 HydrophobicContact CG1-CD2 4.39Å; V3327-F3364 HydrophobicContact CG1-CE1 4.02Å; V3327-F3364 VanDerWaalsContact CG1-CE1 3.47Å; V3327-F3364 HydrophobicContact CG1-CG 3.9Å; V3327-F3364 HydrophobicContact CG1-CZ 4.08Å; V3327-F3364 HydrophobicContact CG2-CD1 3.89Å; V3327-F3364 HydrophobicContact CG2-CE1 3.8Å; V3327-F3364 HydrophobicContact CG2-CG 4.48Å; V3327-F3364 HydrophobicContact CG2-CZ 4.36Å; A3330-F3364 HydrophobicContact CB-CD2 4.06Å; A3330-F3364 HydrophobicContact CB-CE2 3.45Å; A3330-F3364 VanDerWaalsContact CB-CE2 3.45Å; A3330-F3364 HydrophobicContact CB-CZ 4.38Å; F3332-F3364 HydrophobicContact CD2-CE2 4.39Å; F3332-F3364 AromaticContact CE2-CE2 3.64Å; F3332-F3364 HydrophobicContact CE2-CE2 3.64Å; F3332-F3364 AromaticContact CE2-CZ 3.7Å; F3332-F3364 HydrophobicContact CE2-CZ 3.7Å; F3332-F3364 HydrophobicContact CZ-CE2 4.31Å; F3332-F3364 HydrophobicContact CZ-CZ 4.25Å; F3336-F3364 PolarHBondContact O-N 3.02Å; I3337-F3364 WeakPolarHBondContact CA-O 3.45Å; I3337-F3364 HydrophobicContact CG1-CD2 4.27Å; S3338-F3364 PolarHBondContact N-O 3.12Å; F3364-T3366 PolarHBondContact O-N 3.24Å; F3364-T3366 PolarHBondContact O-OG1 3.03Å; F3364-W3385 AromaticContact CE1-CD1 3.98Å; F3364-W3385 AromaticContact CE1-CD2 3.78Å; F3364-W3385 HydrophobicContact CE1-CD2 3.78Å; F3364-W3385 AromaticContact CE1-CE2 3.76Å; F3364-W3385 HydrophobicContact CE1-CE3 4.28Å; F3364-W3385 AromaticContact CE1-CG 3.96Å; F3364-W3385 HydrophobicContact CE1-CG 4Å; F3364-W3385 HydrophobicContact CE1-CZ2 4.25Å; F3364-W3385 AromaticContact CE1-NE1 3.93Å; F3364-W3385 HydrophobicContact CZ-CB 4.45Å; F3364-W3385 AromaticContact CZ-CD2 3.78Å; F3364-W3385 HydrophobicContact CZ-CD2 3.78Å; F3364-W3385 AromaticContact CZ-CE3 3.87Å; F3364-W3385 HydrophobicContact CZ-CE3 3.87Å; F3364-W3385 HydrophobicContact CZ-CG 4.12Å; F3364-W3385 HydrophobicContact CZ-CZ3 4.31Å; F3364-T3387 WeakPolarHBondContact CA-OG1 3.33Å; F3364-T3387 HydrophobicContact CD1-CG2 3.85Å; F3364-T3387 HydrophobicContact CE1-CG2 4.25Å |
| 3365 | A | 91 | Very high | 96.3 | Very high | 56.2 Ų | 56.2 | 14.5 Ų | 14.5 | 46% | 0.464 | 8% | 0.082 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 48.8 | 41.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | S3338 D3388 | S3338-A3365 WeakPolarHBondContact CA-O 3.31Å; A3365-D3388 WeakPolarHBondContact CA-OD2 3.36Å; A3365-D3388 PolarHBondContact N-OD2 3.13Å |
| 3366 | T | 93.1 | Very high | 96.4 | Very high | 0.8 Ų | 0.8 | 12.4 Ų | 12.4 | 1% | 0.005 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 132.4 | -171.3 | -59.8 | 0 | 0 | 0 | 0 | 108.1 | F3336 A3339 G3340 M3342 F3364 L3369 D3388 H3391 | F3336-T3366 HydrophobicContact CB-CG2 3.91Å; F3336-T3366 HydrophobicContact CD1-CG2 4.47Å; F3336-T3366 HydrophobicContact CG-CG2 4.43Å; A3339-T3366 HydrophobicContact CB-CG2 4.02Å; A3339-T3366 PolarHBondContact N-OG1 3.01Å; G3340-T3366 CarbonylContact O-C 3.17Å; G3340-T3366 VanDerWaalsContact O-CA 3.29Å; G3340-T3366 WeakPolarHBondContact O-CA 3.22Å; G3340-T3366 WeakPolarHBondContact O-CG2 3.33Å; M3342-T3366 HydrophobicContact CG-CG2 3.62Å; F3364-T3366 PolarHBondContact O-N 3.24Å; F3364-T3366 PolarHBondContact O-OG1 3.03Å; T3366-L3369 HydrophobicContact CG2-CD1 4.26Å; T3366-L3369 HydrophobicContact CG2-CD2 4.17Å; T3366-L3369 HydrophobicContact CG2-CG 4.08Å; T3366-D3388 PolarHBondContact N-OD2 2.81Å; T3366-H3391 PolarHBondContact O-CE1 3.08Å; T3366-H3391 PolarHBondContact O-NE2 2.86Å |
| 3367 | T | 94.4 | Very high | 96.4 | Very high | 40.4 Ų | 40.4 | 12.6 Ų | 12.6 | 25% | 0.248 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 166.1 | 179.5 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | G3340 D3341 M3342 L3369 D3388 G3389 | G3340-T3367 PolarHBondContact O-N 2.98Å; D3341-T3367 WeakPolarHBondContact CA-OG1 3.38Å; D3341-T3367 WeakPolarHBondContact CB-OG1 3.31Å; D3341-T3367 PolarHBondContact OD1-OG1 3.05Å; D3341-T3367 VanDerWaalsContact OD1-OG1 3.1Å; M3342-T3367 WeakPolarHBondContact CB-O 3.31Å; M3342-T3367 PolarHBondContact N-O 3.22Å; T3367-L3369 VanDerWaalsContact C-N 3.33Å; T3367-L3369 PolarHBondContact O-N 3.08Å; T3367-D3388 HydrophobicContact CG2-CB 3.89Å; T3367-G3389 VanDerWaalsContact CA-O 3.29Å; T3367-G3389 WeakPolarHBondContact CA-O 3.25Å; T3367-G3389 VanDerWaalsContact CB-O 3.24Å; T3367-G3389 WeakPolarHBondContact CB-O 3.33Å |
| 3368 | G | 94.6 | Very high | 96.5 | Very high | 2.4 Ų | 2.4 | 15.2 Ų | 15.2 | 3% | 0.025 | 8% | 0.082 | C | C | . | . | trans | 76.3 | 10.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | M3342 N3343 Y3370 G3389 N3390 | M3342-G3368 CarbonylContact C-O 3.44Å; N3343-G3368 PolarHBondContact N-O 3.03Å; N3343-G3368 WeakPolarHBondContact OD1-CA 3.31Å; G3368-Y3370 PolarHBondContact O-N 3.02Å; G3368-G3389 PolarHBondContact N-O 3.1Å; G3368-G3389 VanDerWaalsContact N-O 3.14Å; G3368-N3390 VanDerWaalsContact CA-O 3.31Å; G3368-N3390 WeakPolarHBondContact CA-O 3.37Å | ||
| 3369 | L | 97 | Very high | 96.6 | Very high | 2.2 Ų | 2.2 | 15.1 Ų | 15.1 | 1% | 0.012 | 8% | 0.081 | C | C | . | . | trans | -61.5 | 133.3 | 177.8 | -65 | 169.8 | 0 | 0 | 0 | 112 | F3336 M3342 T3366 T3367 I3371 L3386 H3391 K3392 | F3336-L3369 HydrophobicContact CD1-CD2 3.77Å; F3336-L3369 HydrophobicContact CD2-CD1 4.08Å; F3336-L3369 HydrophobicContact CD2-CD2 3.78Å; F3336-L3369 HydrophobicContact CE1-CD2 3.71Å; F3336-L3369 HydrophobicContact CE2-CD2 3.74Å; F3336-L3369 HydrophobicContact CG-CD1 4.34Å; F3336-L3369 HydrophobicContact CG-CD2 3.81Å; F3336-L3369 HydrophobicContact CZ-CD2 3.7Å; M3342-L3369 HydrophobicContact CB-CD2 3.79Å; M3342-L3369 HydrophobicContact CB-CG 4.39Å; M3342-L3369 HydrophobicContact CG-CD2 3.64Å; M3342-L3369 HydrophobicContact CG-CG 4.44Å; T3366-L3369 HydrophobicContact CG2-CD1 4.26Å; T3366-L3369 HydrophobicContact CG2-CD2 4.17Å; T3366-L3369 HydrophobicContact CG2-CG 4.08Å; T3367-L3369 VanDerWaalsContact C-N 3.33Å; T3367-L3369 PolarHBondContact O-N 3.08Å; L3369-I3371 HydrophobicContact CB-CD1 4.37Å; L3369-I3371 HydrophobicContact CB-CG1 4.48Å; L3369-L3386 HydrophobicContact CD1-CD2 3.79Å; L3369-H3391 HydrophobicContact CB-CB 4.38Å; L3369-H3391 VanDerWaalsContact CB-ND1 3.35Å; L3369-H3391 WeakPolarHBondContact CB-ND1 3.32Å; L3369-H3391 PolarHBondContact N-ND1 3.23Å; L3369-H3391 VanDerWaalsContact N-ND1 3.18Å; L3369-H3391 CarbonylContact O-C 3.36Å; L3369-H3391 VanDerWaalsContact O-CA 3.32Å; L3369-H3391 WeakPolarHBondContact O-CA 3.32Å; L3369-H3391 WeakPolarHBondContact O-CB 3.45Å; L3369-K3392 PolarHBondContact O-N 3.17Å | ||
| 3370 | Y | 97.3 | Very high | 96.5 | Very high | 63 Ų | 63 | 15.8 Ų | 15.8 | 25% | 0.247 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 110 | 176 | -174.4 | -165.8 | 0 | 0 | 0 | 111.1 | Y3347 I3348 K3349 G3368 E3372 K3392 I3394 | Y3347-Y3370 VanDerWaalsContact CA-O 3.3Å; Y3347-Y3370 WeakPolarHBondContact CA-O 3.24Å; I3348-Y3370 PolarHBondContact N-O 2.95Å; K3349-Y3370 VanDerWaalsContact CE-CE1 3.44Å; K3349-Y3370 VanDerWaalsContact NZ-CE1 3.28Å; K3349-Y3370 PolarHBondContact NZ-OH 3.2Å; G3368-Y3370 PolarHBondContact O-N 3.02Å; Y3370-E3372 HydrophobicContact CD2-CB 4.27Å; Y3370-E3372 HydrophobicContact CE2-CB 3.72Å; Y3370-E3372 HydrophobicContact CE2-CG 4.31Å; Y3370-E3372 PolarHBondContact OH-OE1 3.13Å; Y3370-E3372 PolarHBondContact OH-OE2 3.03Å; Y3370-K3392 HydrophobicContact CD2-CB 3.79Å; Y3370-K3392 HydrophobicContact CD2-CD 4.42Å; Y3370-K3392 HydrophobicContact CE2-CB 4.4Å; Y3370-K3392 HydrophobicContact CG-CB 4.47Å; Y3370-I3394 HydrophobicContact CE2-CD1 4.12Å |
| 3371 | I | 98.3 | Very high | 96.2 | Very high | 0.8 Ų | 0.8 | 15.9 Ų | 15.9 | 0% | 0.004 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 109.7 | -173.5 | -57.1 | 161 | 0 | 0 | 0 | 107.6 | I3348 L3361 L3369 N3374 I3384 L3386 K3392 L3393 I3394 N3396 | I3348-I3371 HydrophobicContact CD1-CG1 4.06Å; I3348-I3371 WeakPolarHBondContact O-CA 3.23Å; L3361-I3371 HydrophobicContact CD2-CD1 3.46Å; L3361-I3371 VanDerWaalsContact CD2-CD1 3.46Å; L3361-I3371 HydrophobicContact CD2-CG1 3.77Å; L3361-I3371 HydrophobicContact CD2-CG2 3.92Å; L3361-I3371 HydrophobicContact CG-CD1 4.36Å; L3369-I3371 HydrophobicContact CB-CD1 4.37Å; L3369-I3371 HydrophobicContact CB-CG1 4.48Å; I3371-N3374 VanDerWaalsContact CG2-ND2 3.28Å; I3371-N3374 WeakPolarHBondContact CG2-ND2 3.39Å; I3371-I3384 HydrophobicContact CD1-CG2 4.47Å; I3371-I3384 HydrophobicContact CG2-CD1 4.26Å; I3371-L3386 HydrophobicContact CD1-CD1 4.04Å; I3371-L3386 HydrophobicContact CD1-CD2 4.38Å; I3371-K3392 PolarHBondContact N-O 2.82Å; I3371-K3392 VanDerWaalsContact O-O 3.13Å; I3371-L3393 HydrophobicContact CB-CD2 3.69Å; I3371-L3393 HydrophobicContact CB-CG 4.49Å; I3371-L3393 HydrophobicContact CD1-CD1 4.23Å; I3371-L3393 HydrophobicContact CD1-CD2 3.58Å; I3371-L3393 VanDerWaalsContact CD1-CD2 3.47Å; I3371-L3393 HydrophobicContact CD1-CG 4.37Å; I3371-L3393 HydrophobicContact CG1-CD2 4.2Å; I3371-L3393 HydrophobicContact CG2-CD2 4.03Å; I3371-L3393 WeakPolarHBondContact O-CA 3.22Å; I3371-I3394 PolarHBondContact O-N 3.02Å; I3371-N3396 PolarHBondContact O-ND2 3.05Å |
| 3372 | E | 98 | Very high | 96 | Very high | 44.2 Ų | 44.2 | 16 Ų | 16 | 21% | 0.207 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 138 | -170.7 | 178.1 | 179.1 | -122 | 0 | 0 | 114.1 | I3348 K3349 S3350 Y3370 N3374 I3394 | I3348-E3372 PolarHBondContact O-N 3.04Å; K3349-E3372 CarbonylContact C-O 3.44Å; K3349-E3372 WeakPolarHBondContact CA-O 3.38Å; K3349-E3372 WeakPolarHBondContact CE-OE2 3.38Å; K3349-E3372 HydrophobicContact CG-CB 4.31Å; K3349-E3372 IonicContact NZ-OE2 3.2Å; K3349-E3372 PolarHBondContact NZ-OE2 2.74Å; S3350-E3372 PolarHBondContact N-O 3.16Å; Y3370-E3372 HydrophobicContact CD2-CB 4.27Å; Y3370-E3372 HydrophobicContact CE2-CB 3.72Å; Y3370-E3372 HydrophobicContact CE2-CG 4.31Å; Y3370-E3372 PolarHBondContact OH-OE1 3.13Å; Y3370-E3372 PolarHBondContact OH-OE2 3.03Å; E3372-N3374 PolarHBondContact N-ND2 3.23Å; E3372-N3374 VanDerWaalsContact N-ND2 3.13Å; E3372-N3374 PolarHBondContact O-N 3.13Å; E3372-N3374 VanDerWaalsContact O-N 3.08Å; E3372-N3374 PolarHBondContact O-ND2 2.97Å; E3372-I3394 CarbonylContact C-O 3.48Å; E3372-I3394 WeakPolarHBondContact CA-O 3.23Å; E3372-I3394 HydrophobicContact CG-CB 4.38Å |
| 3373 | N | 97.9 | Very high | 96.1 | Very high | 24.8 Ų | 24.8 | 16 Ų | 16 | 13% | 0.133 | 9% | 0.086 | C | C | . | . | S | Bend | trans | 58.8 | 20.6 | 170.8 | -162.8 | 33.5 | 0 | 0 | 0 | 115.5 | R3184 W3185 S3350 I3394 H3395 N3396 | R3184-N3373 WeakPolarHBondContact CB-ND2 3.41Å; W3185-N3373 PolarHBondContact NE1-OD1 2.84Å; S3350-N3373 VanDerWaalsContact CA-O 3.27Å; S3350-N3373 WeakPolarHBondContact CA-O 3.41Å; S3350-N3373 PolarHBondContact OG-ND2 3.06Å; N3373-I3394 PolarHBondContact N-O 3.08Å; N3373-H3395 VanDerWaalsContact CA-O 3.23Å; N3373-H3395 WeakPolarHBondContact CA-O 3.32Å; N3373-H3395 PolarHBondContact OD1-CD2 3.09Å; N3373-H3395 VanDerWaalsContact OD1-CD2 3.27Å; N3373-N3396 PolarHBondContact N-OD1 3.02Å |
| 3374 | N | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -85 | 150.9 | -176.9 | -55.3 | -74.3 | 0 | 0 | 0 | 111.8 | I3348 S3350 C3351 I3371 E3372 F3376 N3396 L3397 | I3348-N3374 PolarHBondContact O-ND2 2.97Å; I3348-N3374 PolarHBondContact O-OD1 2.98Å; S3350-N3374 PolarHBondContact N-OD1 3.02Å; C3351-N3374 WeakPolarHBondContact CA-OD1 3.26Å; C3351-N3374 VanDerWaalsContact CB-OD1 3.26Å; C3351-N3374 WeakPolarHBondContact CB-OD1 3.28Å; C3351-N3374 PolarHBondContact N-OD1 3.1Å; C3351-N3374 CarbonylContact O-C 3.54Å; C3351-N3374 WeakPolarHBondContact O-CA 3.21Å; C3351-N3374 WeakPolarHBondContact O-CB 3.42Å; I3371-N3374 VanDerWaalsContact CG2-ND2 3.28Å; I3371-N3374 WeakPolarHBondContact CG2-ND2 3.39Å; E3372-N3374 PolarHBondContact N-ND2 3.23Å; E3372-N3374 VanDerWaalsContact N-ND2 3.13Å; E3372-N3374 PolarHBondContact O-N 3.13Å; E3372-N3374 VanDerWaalsContact O-N 3.08Å; E3372-N3374 PolarHBondContact O-ND2 2.97Å; N3374-F3376 HydrophobicContact CB-CD2 4.36Å; N3374-F3376 HydrophobicContact CB-CE2 3.67Å; N3374-F3376 HydrophobicContact CB-CZ 4.18Å; N3374-N3396 WeakPolarHBondContact CB-OD1 3.34Å; N3374-N3396 PolarHBondContact N-OD1 3.08Å; N3374-N3396 PolarHBondContact ND2-OD1 3.19Å; N3374-N3396 CarbonylContact O-C 3.53Å; N3374-N3396 WeakPolarHBondContact O-CA 3.45Å; N3374-L3397 PolarHBondContact O-N 2.92Å | ||
| 3375 | I | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126 | 171.5 | -58.6 | 171.8 | 0 | 0 | 0 | 108.5 | R3184 W3185 V3215 C3351 L3352 F3353 L3397 | R3184-I3375 HydrophobicContact CG-CD1 3.84Å; R3184-I3375 HydrophobicContact CG-CG1 4.12Å; W3185-I3375 HydrophobicContact CB-CD1 4.17Å; W3185-I3375 HydrophobicContact CB-CG1 4.49Å; V3215-I3375 HydrophobicContact CG1-CG2 4.39Å; C3351-I3375 PolarHBondContact O-N 3.24Å; L3352-I3375 CarbonylContact C-O 3.55Å; L3352-I3375 WeakPolarHBondContact CA-O 3.32Å; L3352-I3375 HydrophobicContact CD1-CB 3.75Å; L3352-I3375 HydrophobicContact CD1-CG2 3.74Å; F3353-I3375 PolarHBondContact N-O 3.23Å; I3375-L3397 CarbonylContact C-O 3.54Å; I3375-L3397 WeakPolarHBondContact CA-O 3.34Å; I3375-L3397 HydrophobicContact CG1-CB 4.35Å; I3375-L3397 HydrophobicContact CG1-CD2 4.36Å |
| 3376 | F | 98.6 | Very high | 96.6 | Very high | 0.6 Ų | 0.6 | 15.1 Ų | 15.1 | 0% | 0.003 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114.9 | 170.7 | -59.5 | -97.6 | 0 | 0 | 0 | 107.9 | F3353 A3360 L3361 N3374 T3379 A3383 I3384 L3397 L3398 I3399 | F3353-F3376 HydrophobicContact CB-CD1 3.73Å; F3353-F3376 HydrophobicContact CB-CE1 4.31Å; F3353-F3376 HydrophobicContact CB-CG 4.4Å; F3353-F3376 HydrophobicContact CD1-CD1 4.41Å; F3353-F3376 HydrophobicContact CD1-CE1 4.21Å; F3353-F3376 AromaticContact CD2-CD1 3.48Å; F3353-F3376 HydrophobicContact CD2-CD1 3.48Å; F3353-F3376 VanDerWaalsContact CD2-CD1 3.47Å; F3353-F3376 AromaticContact CD2-CE1 3.27Å; F3353-F3376 HydrophobicContact CD2-CE1 3.27Å; F3353-F3376 HydrophobicContact CD2-CE2 4.46Å; F3353-F3376 HydrophobicContact CD2-CG 4.18Å; F3353-F3376 AromaticContact CD2-CZ 3.82Å; F3353-F3376 HydrophobicContact CD2-CZ 3.82Å; F3353-F3376 HydrophobicContact CE1-CE1 4.37Å; F3353-F3376 HydrophobicContact CE2-CD1 4.19Å; F3353-F3376 AromaticContact CE2-CE1 3.5Å; F3353-F3376 HydrophobicContact CE2-CE1 3.5Å; F3353-F3376 VanDerWaalsContact CE2-CE1 3.49Å; F3353-F3376 AromaticContact CE2-CZ 3.74Å; F3353-F3376 HydrophobicContact CE2-CZ 3.74Å; F3353-F3376 AromaticContact CG-CD1 3.62Å; F3353-F3376 HydrophobicContact CG-CD1 3.62Å; F3353-F3376 AromaticContact CG-CE1 3.68Å; F3353-F3376 HydrophobicContact CG-CE1 3.68Å; F3353-F3376 HydrophobicContact CZ-CE1 4.05Å; F3353-F3376 HydrophobicContact CZ-CZ 4.47Å; A3360-F3376 HydrophobicContact CB-CD1 3.61Å; A3360-F3376 HydrophobicContact CB-CE1 3.91Å; L3361-F3376 HydrophobicContact CB-CE1 4Å; L3361-F3376 HydrophobicContact CB-CZ 4.3Å; L3361-F3376 HydrophobicContact CD2-CZ 4.18Å; N3374-F3376 HydrophobicContact CB-CD2 4.36Å; N3374-F3376 HydrophobicContact CB-CE2 3.67Å; N3374-F3376 HydrophobicContact CB-CZ 4.18Å; F3376-T3379 HydrophobicContact CB-CG2 4.23Å; F3376-A3383 HydrophobicContact CB-CB 3.73Å; F3376-A3383 HydrophobicContact CD1-CB 4.06Å; F3376-A3383 HydrophobicContact CD2-CB 4.49Å; F3376-A3383 HydrophobicContact CG-CB 3.87Å; F3376-I3384 HydrophobicContact CD2-CD1 4.44Å; F3376-I3384 HydrophobicContact CE1-CG1 4.15Å; F3376-I3384 HydrophobicContact CE2-CD1 3.7Å; F3376-I3384 HydrophobicContact CE2-CG1 3.93Å; F3376-I3384 HydrophobicContact CZ-CD1 3.87Å; F3376-I3384 HydrophobicContact CZ-CG1 3.71Å; F3376-L3397 PolarHBondContact N-O 2.92Å; F3376-L3398 HydrophobicContact CB-CG 4.27Å; F3376-L3398 HydrophobicContact CD2-CD1 3.74Å; F3376-L3398 HydrophobicContact CD2-CG 4.02Å; F3376-L3398 HydrophobicContact CE2-CD1 4.28Å; F3376-L3398 HydrophobicContact CG-CG 4.41Å; F3376-L3398 CarbonylContact O-C 3.5Å; F3376-I3399 PolarHBondContact O-N 2.97Å |
| 3377 | Y | 98.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 15.7 Ų | 15.7 | 2% | 0.024 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 126.4 | -179.3 | 175 | -125.7 | 0 | 0 | 0 | 110.2 | V3215 V3228 I3272 F3353 E3354 N3355 I3399 E3400 | V3215-Y3377 HydrophobicContact CG2-CD1 4.43Å; V3215-Y3377 HydrophobicContact CG2-CD2 3.72Å; V3215-Y3377 HydrophobicContact CG2-CE1 4.44Å; V3215-Y3377 HydrophobicContact CG2-CE2 3.74Å; V3215-Y3377 HydrophobicContact CG2-CG 4.08Å; V3228-Y3377 HydrophobicContact CG2-CD1 4.44Å; V3228-Y3377 HydrophobicContact CG2-CE1 3.55Å; I3272-Y3377 HydrophobicContact CD1-CD1 4.39Å; F3353-Y3377 PolarHBondContact O-N 3.06Å; E3354-Y3377 WeakPolarHBondContact CA-O 3.4Å; E3354-Y3377 HydrophobicContact CG-CD1 4.18Å; N3355-Y3377 PolarHBondContact N-O 3.01Å; Y3377-I3399 WeakPolarHBondContact CA-O 3.24Å; Y3377-I3399 HydrophobicContact CD2-CB 4.01Å; Y3377-I3399 HydrophobicContact CD2-CG2 3.76Å; Y3377-I3399 HydrophobicContact CE2-CG2 4.14Å; Y3377-E3400 HydrophobicContact CD2-CB 4.48Å; Y3377-E3400 HydrophobicContact CE2-CB 4.38Å; Y3377-E3400 WeakPolarHBondContact CE2-OE2 3.4Å |
| 3378 | K | 96.7 | Very high | 96.5 | Very high | 65.4 Ų | 65.4 | 16.9 Ų | 16.9 | 28% | 0.284 | 8% | 0.08 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 57.2 | 80 | -178.7 | -77.2 | 177.5 | 170.5 | 165.9 | 0 | 112.4 | N3355 S3356 I3399 E3400 | N3355-K3378 CarbonylContact C-O 3.44Å; N3355-K3378 VanDerWaalsContact CA-O 3.24Å; N3355-K3378 WeakPolarHBondContact CA-O 3.2Å; N3355-K3378 PolarHBondContact N-O 3.11Å; N3355-K3378 WeakPolarHBondContact OD1-CB 3.34Å; N3355-K3378 WeakPolarHBondContact OD1-CD 3.23Å; S3356-K3378 PolarHBondContact N-O 3Å; K3378-I3399 PolarHBondContact N-O 3.12Å; K3378-I3399 VanDerWaalsContact N-O 3.09Å; K3378-E3400 VanDerWaalsContact CA-O 3.29Å; K3378-E3400 WeakPolarHBondContact CA-O 3.38Å; K3378-E3400 WeakPolarHBondContact CE-OE1 3.34Å; K3378-E3400 WeakPolarHBondContact CE-OE2 3.33Å; K3378-E3400 HydrophobicContact CG-CB 4.34Å; K3378-E3400 HydrophobicContact CG-CG 4.22Å; K3378-E3400 WeakPolarHBondContact CG-OE1 3.13Å; K3378-E3400 IonicContact NZ-OE1 3.2Å |
| 3379 | T | 96.4 | Very high | 96.4 | Very high | 0.4 Ų | 0.4 | 17 Ų | 17 | 0% | 0.002 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 128 | 175.9 | 47.8 | 0 | 0 | 0 | 0 | 110.3 | S3358 A3360 F3376 G3381 S3382 A3383 E3400 S3401 I3402 | S3358-T3379 VanDerWaalsContact O-CG2 3.3Å; S3358-T3379 WeakPolarHBondContact O-CG2 3.37Å; A3360-T3379 HydrophobicContact CB-CG2 3.91Å; F3376-T3379 HydrophobicContact CB-CG2 4.23Å; T3379-G3381 VanDerWaalsContact C-N 3.33Å; T3379-G3381 PolarHBondContact O-N 3.17Å; T3379-G3381 VanDerWaalsContact O-N 3.13Å; T3379-G3381 PolarHBondContact OG1-O 3.19Å; T3379-G3381 VanDerWaalsContact OG1-O 3.14Å; T3379-S3382 VanDerWaalsContact CG2-O 3.26Å; T3379-S3382 WeakPolarHBondContact CG2-O 3.41Å; T3379-A3383 HydrophobicContact CG2-CB 4.07Å; T3379-E3400 PolarHBondContact N-O 3.12Å; T3379-E3400 VanDerWaalsContact N-O 3.09Å; T3379-S3401 WeakPolarHBondContact OG1-CA 3.31Å; T3379-S3401 WeakPolarHBondContact OG1-CB 3.32Å; T3379-S3401 PolarHBondContact OG1-OG 3.06Å; T3379-I3402 WeakPolarHBondContact O-CB 2.82Å; T3379-I3402 PolarHBondContact O-N 2.98Å |
| 3380 | L | 93.2 | Very high | 96.1 | Very high | 21.2 Ų | 21.2 | 20.8 Ų | 20.8 | 11% | 0.111 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 91.1 | 170.4 | -175.6 | 65.2 | 0 | 0 | 0 | 108.9 | K3322 S3356 S3358 T3359 I3402 I3407 | K3322-L3380 HydrophobicContact CB-CD2 4.35Å; K3322-L3380 HydrophobicContact CD-CD2 4.04Å; K3322-L3380 HydrophobicContact CG-CD2 3.99Å; S3356-L3380 WeakPolarHBondContact O-CB 3.37Å; S3356-L3380 PolarHBondContact O-N 3Å; S3358-L3380 CarbonylContact C-O 3.58Å; S3358-L3380 WeakPolarHBondContact CA-O 3.4Å; T3359-L3380 PolarHBondContact N-O 3.14Å; L3380-I3402 HydrophobicContact CD1-CB 4.49Å; L3380-I3402 HydrophobicContact CD1-CG2 4.13Å; L3380-I3407 HydrophobicContact CD1-CD1 3.76Å; L3380-I3407 HydrophobicContact CD1-CG1 4.42Å; L3380-I3407 HydrophobicContact CD2-CD1 3.79Å; L3380-I3407 HydrophobicContact CG-CD1 4.46Å |
| 3381 | G | 90.9 | Very high | 96 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 2% | 0.021 | 9% | 0.089 | C | C | . | . | S | Bend | trans | 106.9 | -157.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112 | T3379 I3402 E3419 | T3379-G3381 VanDerWaalsContact C-N 3.33Å; T3379-G3381 PolarHBondContact O-N 3.17Å; T3379-G3381 VanDerWaalsContact O-N 3.13Å; T3379-G3381 PolarHBondContact OG1-O 3.19Å; T3379-G3381 VanDerWaalsContact OG1-O 3.14Å; G3381-I3402 VanDerWaalsContact CA-O 3.25Å; G3381-I3402 WeakPolarHBondContact CA-O 3.38Å; G3381-I3402 PolarHBondContact N-O 3.08Å; G3381-E3419 VanDerWaalsContact C-OE1 3.25Å; G3381-E3419 WeakPolarHBondContact CA-OE1 3.36Å; G3381-E3419 WeakPolarHBondContact CA-OE2 3.24Å |
| 3382 | S | 95.5 | Very high | 95.9 | Very high | 1.2 Ų | 1.2 | 21.1 Ų | 21.1 | 1% | 0.008 | 10% | 0.104 | C | C | . | . | trans | -61.1 | 140 | 178.5 | -60.3 | 0 | 0 | 0 | 0 | 112.9 | T3359 A3360 T3379 I3384 E3419 A3420 | T3359-S3382 CarbonylContact C-O 3.54Å; T3359-S3382 WeakPolarHBondContact CA-O 3.35Å; T3359-S3382 WeakPolarHBondContact CB-O 3.37Å; T3359-S3382 VanDerWaalsContact CG2-O 3.29Å; T3359-S3382 WeakPolarHBondContact CG2-O 3.26Å; T3359-S3382 PolarHBondContact OG1-N 2.78Å; A3360-S3382 PolarHBondContact N-O 3.06Å; A3360-S3382 VanDerWaalsContact N-O 3.13Å; T3379-S3382 VanDerWaalsContact CG2-O 3.26Å; T3379-S3382 WeakPolarHBondContact CG2-O 3.41Å; S3382-I3384 VanDerWaalsContact C-N 3.34Å; S3382-E3419 PolarHBondContact N-OE1 2.85Å; S3382-E3419 WeakPolarHBondContact OG-CG 3.44Å; S3382-A3420 WeakPolarHBondContact CA-O 3.27Å; S3382-A3420 WeakPolarHBondContact CB-O 3.39Å; S3382-A3420 PolarHBondContact OG-O 3.13Å | ||
| 3383 | A | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -69.8 | -44.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | A3360 L3361 F3376 T3379 L3398 A3421 | A3360-A3383 WeakPolarHBondContact CB-O 3.34Å; A3360-A3383 PolarHBondContact N-O 3.07Å; L3361-A3383 PolarHBondContact N-O 2.99Å; F3376-A3383 HydrophobicContact CB-CB 3.73Å; F3376-A3383 HydrophobicContact CD1-CB 4.06Å; F3376-A3383 HydrophobicContact CD2-CB 4.49Å; F3376-A3383 HydrophobicContact CG-CB 3.87Å; T3379-A3383 HydrophobicContact CG2-CB 4.07Å; A3383-L3398 HydrophobicContact CB-CB 4.36Å; A3383-L3398 HydrophobicContact CB-CD2 3.62Å; A3383-L3398 HydrophobicContact CB-CG 3.65Å; A3383-A3421 WeakPolarHBondContact CA-O 3.23Å; A3383-A3421 WeakPolarHBondContact CB-O 3.26Å; A3383-A3421 PolarHBondContact N-O 3.12Å |
| 3384 | I | 98.4 | Very high | 95.9 | Very high | 1.4 Ų | 1.4 | 18.8 Ų | 18.8 | 1% | 0.007 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 130.2 | 179.6 | -59.8 | 174.6 | 0 | 0 | 0 | 109.4 | L3361 I3371 F3376 S3382 L3386 L3393 L3398 A3421 L3422 D3423 | L3361-I3384 HydrophobicContact CB-CG1 4.46Å; L3361-I3384 HydrophobicContact CD2-CG1 4.49Å; L3361-I3384 CarbonylContact O-C 3.54Å; L3361-I3384 WeakPolarHBondContact O-CA 3.34Å; I3371-I3384 HydrophobicContact CD1-CG2 4.47Å; I3371-I3384 HydrophobicContact CG2-CD1 4.26Å; F3376-I3384 HydrophobicContact CD2-CD1 4.44Å; F3376-I3384 HydrophobicContact CE1-CG1 4.15Å; F3376-I3384 HydrophobicContact CE2-CD1 3.7Å; F3376-I3384 HydrophobicContact CE2-CG1 3.93Å; F3376-I3384 HydrophobicContact CZ-CD1 3.87Å; F3376-I3384 HydrophobicContact CZ-CG1 3.71Å; S3382-I3384 VanDerWaalsContact C-N 3.34Å; I3384-L3386 HydrophobicContact CG2-CD1 3.94Å; I3384-L3386 HydrophobicContact CG2-CD2 4.3Å; I3384-L3386 HydrophobicContact CG2-CG 3.75Å; I3384-L3393 HydrophobicContact CD1-CD2 4.16Å; I3384-L3393 HydrophobicContact CG2-CD1 4.48Å; I3384-L3393 HydrophobicContact CG2-CD2 4.23Å; I3384-L3398 HydrophobicContact CD1-CD1 4.29Å; I3384-L3398 HydrophobicContact CD1-CD2 4.5Å; I3384-A3421 PolarHBondContact N-O 3.15Å; I3384-A3421 VanDerWaalsContact N-O 3.09Å; I3384-L3422 HydrophobicContact CB-CD1 3.75Å; I3384-L3422 HydrophobicContact CD1-CD1 4.46Å; I3384-L3422 HydrophobicContact CG2-CD1 3.83Å; I3384-D3423 PolarHBondContact O-N 3.06Å |
| 3385 | W | 97.1 | Very high | 95.9 | Very high | 40 Ų | 40 | 21.5 Ų | 21.5 | 15% | 0.152 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 112.1 | 173.1 | -177.1 | 8 | 0 | 0 | 0 | 111.5 | N3325 V3327 F3332 T3359 L3361 G3362 G3363 F3364 D3423 | N3325-W3385 WeakPolarHBondContact O-CZ3 3.29Å; V3327-W3385 HydrophobicContact CG1-CH2 3.75Å; V3327-W3385 HydrophobicContact CG1-CZ2 3.57Å; V3327-W3385 VanDerWaalsContact CG1-CZ2 3.48Å; V3327-W3385 HydrophobicContact CG1-CZ3 4.5Å; V3327-W3385 HydrophobicContact CG2-CH2 3.95Å; V3327-W3385 HydrophobicContact CG2-CZ2 3.8Å; F3332-W3385 HydrophobicContact CE2-CE3 4.32Å; F3332-W3385 AromaticContact CZ-CE3 3.97Å; F3332-W3385 HydrophobicContact CZ-CE3 4Å; F3332-W3385 HydrophobicContact CZ-CZ3 4.3Å; T3359-W3385 HydrophobicContact CG2-CB 3.9Å; L3361-W3385 PolarHBondContact O-N 3.16Å; G3362-W3385 CarbonylContact C-O 3.46Å; G3362-W3385 VanDerWaalsContact CA-O 3.24Å; G3362-W3385 WeakPolarHBondContact CA-O 3.25Å; G3363-W3385 PolarHBondContact N-O 3.17Å; F3364-W3385 AromaticContact CE1-CD1 3.98Å; F3364-W3385 AromaticContact CE1-CD2 3.78Å; F3364-W3385 HydrophobicContact CE1-CD2 3.78Å; F3364-W3385 AromaticContact CE1-CE2 3.76Å; F3364-W3385 HydrophobicContact CE1-CE3 4.28Å; F3364-W3385 AromaticContact CE1-CG 3.96Å; F3364-W3385 HydrophobicContact CE1-CG 4Å; F3364-W3385 HydrophobicContact CE1-CZ2 4.25Å; F3364-W3385 AromaticContact CE1-NE1 3.93Å; F3364-W3385 HydrophobicContact CZ-CB 4.45Å; F3364-W3385 AromaticContact CZ-CD2 3.78Å; F3364-W3385 HydrophobicContact CZ-CD2 3.78Å; F3364-W3385 AromaticContact CZ-CE3 3.87Å; F3364-W3385 HydrophobicContact CZ-CE3 3.87Å; F3364-W3385 HydrophobicContact CZ-CG 4.12Å; F3364-W3385 HydrophobicContact CZ-CZ3 4.31Å; W3385-D3423 CarbonylContact C-O 3.54Å; W3385-D3423 VanDerWaalsContact CA-O 3.3Å; W3385-D3423 WeakPolarHBondContact CA-O 3.4Å; W3385-D3423 HydrophobicContact CB-CB 4.27Å; W3385-D3423 HydrophobicContact CG-CB 4.1Å |
| 3386 | L | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 142.8 | -177.5 | -56 | 175.4 | 0 | 0 | 0 | 112 | L3369 I3371 I3384 H3391 L3393 D3423 I3424 A3427 L3430 | L3369-L3386 HydrophobicContact CD1-CD2 3.79Å; I3371-L3386 HydrophobicContact CD1-CD1 4.04Å; I3371-L3386 HydrophobicContact CD1-CD2 4.38Å; I3384-L3386 HydrophobicContact CG2-CD1 3.94Å; I3384-L3386 HydrophobicContact CG2-CD2 4.3Å; I3384-L3386 HydrophobicContact CG2-CG 3.75Å; L3386-H3391 HydrophobicContact CD1-CB 4.02Å; L3386-L3393 HydrophobicContact CD1-CD1 3.99Å; L3386-L3393 HydrophobicContact CD1-CD2 4.14Å; L3386-L3393 HydrophobicContact CD1-CG 4.37Å; L3386-D3423 PolarHBondContact N-O 3.13Å; L3386-I3424 HydrophobicContact CB-CG2 4.38Å; L3386-A3427 HydrophobicContact CB-CB 4.37Å; L3386-L3430 HydrophobicContact CD1-CD1 4.19Å |
| 3387 | T | 94.9 | Very high | 95.9 | Very high | 14 Ų | 14 | 21.4 Ų | 21.4 | 9% | 0.086 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 176.6 | 167.6 | 65.9 | 0 | 0 | 0 | 0 | 110 | G3363 F3364 H3391 Q3426 | G3363-T3387 PolarHBondContact O-N 3.06Å; G3363-T3387 PolarHBondContact O-OG1 3.05Å; F3364-T3387 WeakPolarHBondContact CA-OG1 3.33Å; F3364-T3387 HydrophobicContact CD1-CG2 3.85Å; F3364-T3387 HydrophobicContact CE1-CG2 4.25Å; T3387-H3391 PolarHBondContact O-NE2 3Å; T3387-Q3426 HydrophobicContact CG2-CB 3.99Å |
| 3388 | D | 92 | Very high | 95.9 | Very high | 64.8 Ų | 64.8 | 21.3 Ų | 21.3 | 35% | 0.347 | 10% | 0.104 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 70.2 | -134.2 | 174.8 | -47 | -72.6 | 0 | 0 | 0 | 112.7 | A3365 T3366 T3367 Q3426 A3427 S3428 | A3365-D3388 WeakPolarHBondContact CA-OD2 3.36Å; A3365-D3388 PolarHBondContact N-OD2 3.13Å; T3366-D3388 PolarHBondContact N-OD2 2.81Å; T3367-D3388 HydrophobicContact CG2-CB 3.89Å; D3388-Q3426 PolarHBondContact N-O 2.95Å; D3388-Q3426 VanDerWaalsContact N-O 3.1Å; D3388-A3427 CarbonylContact O-C 3.56Å; D3388-A3427 WeakPolarHBondContact O-CA 3.38Å; D3388-S3428 PolarHBondContact O-N 3.21Å |
| 3389 | G | 91 | Very high | 96 | Very high | 4.8 Ų | 4.8 | 18.2 Ų | 18.2 | 5% | 0.049 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 175.4 | -170.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | T3367 G3368 H3391 S3428 | T3367-G3389 VanDerWaalsContact CA-O 3.29Å; T3367-G3389 WeakPolarHBondContact CA-O 3.25Å; T3367-G3389 VanDerWaalsContact CB-O 3.24Å; T3367-G3389 WeakPolarHBondContact CB-O 3.33Å; G3368-G3389 PolarHBondContact N-O 3.1Å; G3368-G3389 VanDerWaalsContact N-O 3.14Å; G3389-H3391 VanDerWaalsContact C-N 3.28Å; G3389-H3391 PolarHBondContact O-N 3.2Å; G3389-S3428 VanDerWaalsContact CA-O 3.27Å; G3389-S3428 WeakPolarHBondContact CA-O 3.4Å |
| 3390 | N | 91.9 | Very high | 96 | Very high | 81.8 Ų | 81.8 | 18.8 Ų | 18.8 | 44% | 0.437 | 9% | 0.094 | S | C | . | . | trans | 63 | 25.1 | 176.5 | -58.2 | -56.6 | 0 | 0 | 0 | 115.1 | G3368 S3428 | G3368-N3390 VanDerWaalsContact CA-O 3.31Å; G3368-N3390 WeakPolarHBondContact CA-O 3.37Å; N3390-S3428 PolarHBondContact N-O 3.03Å; N3390-S3428 VanDerWaalsContact N-O 3.15Å | ||
| 3391 | H | 95.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | trans | -77.6 | 156.5 | 175 | -52.5 | -71.6 | 0 | 0 | 0 | 112 | T3366 L3369 L3386 T3387 G3389 L3393 L3430 I3431 | T3366-H3391 PolarHBondContact O-CE1 3.08Å; T3366-H3391 PolarHBondContact O-NE2 2.86Å; L3369-H3391 HydrophobicContact CB-CB 4.38Å; L3369-H3391 VanDerWaalsContact CB-ND1 3.35Å; L3369-H3391 WeakPolarHBondContact CB-ND1 3.32Å; L3369-H3391 PolarHBondContact N-ND1 3.23Å; L3369-H3391 VanDerWaalsContact N-ND1 3.18Å; L3369-H3391 CarbonylContact O-C 3.36Å; L3369-H3391 VanDerWaalsContact O-CA 3.32Å; L3369-H3391 WeakPolarHBondContact O-CA 3.32Å; L3369-H3391 WeakPolarHBondContact O-CB 3.45Å; L3386-H3391 HydrophobicContact CD1-CB 4.02Å; T3387-H3391 PolarHBondContact O-NE2 3Å; G3389-H3391 VanDerWaalsContact C-N 3.28Å; G3389-H3391 PolarHBondContact O-N 3.2Å; H3391-L3393 HydrophobicContact CB-CD1 3.96Å; H3391-L3430 HydrophobicContact CB-CD1 3.75Å; H3391-L3430 HydrophobicContact CB-CG 4.03Å; H3391-L3430 CarbonylContact O-C 3.52Å; H3391-L3430 WeakPolarHBondContact O-CA 3.27Å; H3391-I3431 PolarHBondContact O-N 3.15Å | ||
| 3392 | K | 96.5 | Very high | 96.3 | Very high | 70.4 Ų | 70.4 | 20 Ų | 20 | 31% | 0.306 | 10% | 0.099 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 111.6 | 176.3 | -59.5 | -179.8 | -175.9 | 171.6 | 0 | 109.4 | L3369 Y3370 I3371 I3394 I3431 | L3369-K3392 PolarHBondContact O-N 3.17Å; Y3370-K3392 HydrophobicContact CD2-CB 3.79Å; Y3370-K3392 HydrophobicContact CD2-CD 4.42Å; Y3370-K3392 HydrophobicContact CE2-CB 4.4Å; Y3370-K3392 HydrophobicContact CG-CB 4.47Å; I3371-K3392 PolarHBondContact N-O 2.82Å; I3371-K3392 VanDerWaalsContact O-O 3.13Å; K3392-I3394 HydrophobicContact CB-CD1 4.35Å; K3392-I3394 HydrophobicContact CB-CG1 4.46Å; K3392-I3431 HydrophobicContact CD-CD1 4.39Å; K3392-I3431 HydrophobicContact CG-CB 4.36Å; K3392-I3431 HydrophobicContact CG-CD1 4.16Å; K3392-I3431 HydrophobicContact CG-CG1 4.45Å |
| 3393 | L | 97.7 | Very high | 96 | Very high | 0.8 Ų | 0.8 | 20.5 Ų | 20.5 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 101.1 | 174.8 | -69.7 | 141.2 | 0 | 0 | 0 | 107.9 | I3371 I3384 L3386 H3391 L3422 I3424 L3430 I3431 L3432 Q3433 N3435 | I3371-L3393 HydrophobicContact CB-CD2 3.69Å; I3371-L3393 HydrophobicContact CB-CG 4.49Å; I3371-L3393 HydrophobicContact CD1-CD1 4.23Å; I3371-L3393 HydrophobicContact CD1-CD2 3.58Å; I3371-L3393 VanDerWaalsContact CD1-CD2 3.47Å; I3371-L3393 HydrophobicContact CD1-CG 4.37Å; I3371-L3393 HydrophobicContact CG1-CD2 4.2Å; I3371-L3393 HydrophobicContact CG2-CD2 4.03Å; I3371-L3393 WeakPolarHBondContact O-CA 3.22Å; I3384-L3393 HydrophobicContact CD1-CD2 4.16Å; I3384-L3393 HydrophobicContact CG2-CD1 4.48Å; I3384-L3393 HydrophobicContact CG2-CD2 4.23Å; L3386-L3393 HydrophobicContact CD1-CD1 3.99Å; L3386-L3393 HydrophobicContact CD1-CD2 4.14Å; L3386-L3393 HydrophobicContact CD1-CG 4.37Å; H3391-L3393 HydrophobicContact CB-CD1 3.96Å; L3393-L3422 HydrophobicContact CD1-CD1 3.55Å; L3393-L3422 VanDerWaalsContact CD1-CD1 3.48Å; L3393-L3422 HydrophobicContact CD1-CD2 4.18Å; L3393-L3422 HydrophobicContact CD1-CG 4.42Å; L3393-L3422 HydrophobicContact CD2-CD1 3.51Å; L3393-L3422 HydrophobicContact CD2-CD2 4.34Å; L3393-I3424 HydrophobicContact CD1-CG2 4.27Å; L3393-L3430 HydrophobicContact CB-CD2 4.4Å; L3393-L3430 HydrophobicContact CD1-CD1 3.79Å; L3393-L3430 VanDerWaalsContact CD1-CD1 3.41Å; L3393-L3430 HydrophobicContact CD1-CD2 3.97Å; L3393-L3430 HydrophobicContact CD1-CG 4.32Å; L3393-L3430 HydrophobicContact CD2-CD1 4.47Å; L3393-L3430 HydrophobicContact CG-CD1 4.32Å; L3393-L3430 HydrophobicContact CG-CD2 4.21Å; L3393-L3430 HydrophobicContact CG-CG 4.42Å; L3393-I3431 PolarHBondContact N-O 3.27Å; L3393-L3432 HydrophobicContact CB-CD1 3.82Å; L3393-L3432 HydrophobicContact CD1-CD1 3.93Å; L3393-L3432 HydrophobicContact CD2-CD1 4.08Å; L3393-L3432 HydrophobicContact CG-CD1 4.48Å; L3393-L3432 WeakPolarHBondContact O-CA 3.4Å; L3393-Q3433 PolarHBondContact O-N 3.02Å; L3393-N3435 PolarHBondContact O-ND2 3.09Å; L3393-N3435 PolarHBondContact O-OD1 3.25Å |
| 3394 | I | 97.5 | Very high | 95.2 | Very high | 19 Ų | 19 | 21.4 Ų | 21.4 | 10% | 0.097 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122.4 | -171.7 | -56.5 | -178.3 | 0 | 0 | 0 | 110.4 | Y3370 I3371 E3372 N3373 K3392 N3396 I3431 Q3433 R3434 | Y3370-I3394 HydrophobicContact CE2-CD1 4.12Å; I3371-I3394 PolarHBondContact O-N 3.02Å; E3372-I3394 CarbonylContact C-O 3.48Å; E3372-I3394 WeakPolarHBondContact CA-O 3.23Å; E3372-I3394 HydrophobicContact CG-CB 4.38Å; N3373-I3394 PolarHBondContact N-O 3.08Å; K3392-I3394 HydrophobicContact CB-CD1 4.35Å; K3392-I3394 HydrophobicContact CB-CG1 4.46Å; I3394-N3396 VanDerWaalsContact C-N 3.29Å; I3394-N3396 PolarHBondContact N-ND2 2.98Å; I3394-N3396 PolarHBondContact O-N 2.97Å; I3394-N3396 PolarHBondContact O-ND2 2.83Å; I3394-I3431 HydrophobicContact CD1-CG2 4.46Å; I3394-I3431 HydrophobicContact CG1-CG2 4.46Å; I3394-Q3433 CarbonylContact C-O 3.53Å; I3394-Q3433 VanDerWaalsContact CA-O 3.27Å; I3394-Q3433 WeakPolarHBondContact CA-O 3.34Å; I3394-R3434 VanDerWaalsContact CG2-NH2 3.29Å |
| 3395 | H | 97.4 | Very high | 94.1 | Very high | 56.8 Ų | 56.8 | 21.9 Ų | 21.9 | 26% | 0.263 | 11% | 0.114 | S | C | . | . | S | Bend | trans | 61.8 | 28.2 | 170.7 | -157.7 | 51.9 | 0 | 0 | 0 | 115.6 | W3185 N3373 Q3433 R3434 | W3185-H3395 AromaticContact CE2-CE1 3.7Å; W3185-H3395 AromaticContact CE2-NE2 3.83Å; W3185-H3395 AromaticContact CH2-CE1 3.82Å; W3185-H3395 AromaticContact CH2-ND1 3.97Å; W3185-H3395 AromaticContact CZ2-CE1 3.29Å; W3185-H3395 WeakPolarHBondContact CZ2-CE1 3.43Å; W3185-H3395 AromaticContact CZ2-CG 3.96Å; W3185-H3395 AromaticContact CZ2-ND1 3.36Å; W3185-H3395 VanDerWaalsContact CZ2-ND1 3.34Å; W3185-H3395 WeakPolarHBondContact CZ2-ND1 3.29Å; W3185-H3395 AromaticContact CZ2-NE2 3.88Å; W3185-H3395 AromaticContact NE1-CD2 3.88Å; W3185-H3395 AromaticContact NE1-NE2 3.82Å; W3185-H3395 PolarHBondContact NE1-O 3.06Å; W3185-H3395 VanDerWaalsContact NE1-O 3.07Å; N3373-H3395 VanDerWaalsContact CA-O 3.23Å; N3373-H3395 WeakPolarHBondContact CA-O 3.32Å; N3373-H3395 PolarHBondContact OD1-CD2 3.09Å; N3373-H3395 VanDerWaalsContact OD1-CD2 3.27Å; H3395-Q3433 PolarHBondContact N-O 3.12Å; H3395-R3434 VanDerWaalsContact CA-O 3.29Å; H3395-R3434 WeakPolarHBondContact CA-O 3.41Å; H3395-R3434 HydrophobicContact CB-CB 4.31Å |
| 3396 | N | 98.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -85.8 | 149.7 | 177.4 | -54.7 | -78.3 | 0 | 0 | 0 | 111.7 | I3371 N3373 N3374 I3394 L3398 N3435 S3436 | I3371-N3396 PolarHBondContact O-ND2 3.05Å; N3373-N3396 PolarHBondContact N-OD1 3.02Å; N3374-N3396 WeakPolarHBondContact CB-OD1 3.34Å; N3374-N3396 PolarHBondContact N-OD1 3.08Å; N3374-N3396 PolarHBondContact ND2-OD1 3.19Å; N3374-N3396 CarbonylContact O-C 3.53Å; N3374-N3396 WeakPolarHBondContact O-CA 3.45Å; I3394-N3396 VanDerWaalsContact C-N 3.29Å; I3394-N3396 PolarHBondContact N-ND2 2.98Å; I3394-N3396 PolarHBondContact O-N 2.97Å; I3394-N3396 PolarHBondContact O-ND2 2.83Å; N3396-L3398 HydrophobicContact CB-CD1 3.95Å; N3396-N3435 WeakPolarHBondContact CB-OD1 3.26Å; N3396-N3435 PolarHBondContact N-OD1 3.27Å; N3396-N3435 PolarHBondContact ND2-OD1 3.02Å; N3396-N3435 CarbonylContact O-C 3.47Å; N3396-N3435 VanDerWaalsContact O-CA 3.23Å; N3396-N3435 WeakPolarHBondContact O-CA 3.19Å; N3396-S3436 PolarHBondContact O-N 3.1Å | ||
| 3397 | L | 98.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 118.2 | 178.5 | 175 | 55 | 0 | 0 | 0 | 109.7 | W3185 E3268 N3374 I3375 F3376 I3399 S3436 A3438 | W3185-L3397 HydrophobicContact CB-CD2 3.81Å; W3185-L3397 HydrophobicContact CD2-CB 4.08Å; W3185-L3397 HydrophobicContact CD2-CD2 3.85Å; W3185-L3397 HydrophobicContact CE3-CD2 3.98Å; W3185-L3397 HydrophobicContact CG-CB 4.25Å; W3185-L3397 HydrophobicContact CG-CD2 3.79Å; W3185-L3397 HydrophobicContact CZ2-CB 4.4Å; E3268-L3397 HydrophobicContact CB-CD1 3.62Å; E3268-L3397 HydrophobicContact CB-CD2 3.86Å; E3268-L3397 HydrophobicContact CB-CG 4.41Å; E3268-L3397 HydrophobicContact CG-CD1 3.72Å; N3374-L3397 PolarHBondContact O-N 2.92Å; I3375-L3397 CarbonylContact C-O 3.54Å; I3375-L3397 WeakPolarHBondContact CA-O 3.34Å; I3375-L3397 HydrophobicContact CG1-CB 4.35Å; I3375-L3397 HydrophobicContact CG1-CD2 4.36Å; F3376-L3397 PolarHBondContact N-O 2.92Å; L3397-I3399 HydrophobicContact CD1-CD1 4.06Å; L3397-I3399 HydrophobicContact CD1-CG1 3.78Å; L3397-I3399 HydrophobicContact CD2-CD1 3.84Å; L3397-I3399 HydrophobicContact CD2-CG1 4.42Å; L3397-I3399 HydrophobicContact CG-CD1 3.81Å; L3397-I3399 HydrophobicContact CG-CG1 3.84Å; L3397-S3436 CarbonylContact C-O 3.54Å; L3397-S3436 WeakPolarHBondContact CA-O 3.32Å; L3397-A3438 HydrophobicContact CD1-CB 4.46Å |
| 3398 | L | 98.7 | Very high | 88.5 | Confident | 2.8 Ų | 2.8 | 32.1 Ų | 32.1 | 2% | 0.015 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 117.9 | -179.9 | -75.3 | 61.6 | 0 | 0 | 0 | 108.3 | F3376 A3383 I3384 N3396 A3421 L3422 S3436 I3437 A3438 | F3376-L3398 HydrophobicContact CB-CG 4.27Å; F3376-L3398 HydrophobicContact CD2-CD1 3.74Å; F3376-L3398 HydrophobicContact CD2-CG 4.02Å; F3376-L3398 HydrophobicContact CE2-CD1 4.28Å; F3376-L3398 HydrophobicContact CG-CG 4.41Å; F3376-L3398 CarbonylContact O-C 3.5Å; A3383-L3398 HydrophobicContact CB-CB 4.36Å; A3383-L3398 HydrophobicContact CB-CD2 3.62Å; A3383-L3398 HydrophobicContact CB-CG 3.65Å; I3384-L3398 HydrophobicContact CD1-CD1 4.29Å; I3384-L3398 HydrophobicContact CD1-CD2 4.5Å; N3396-L3398 HydrophobicContact CB-CD1 3.95Å; L3398-A3421 HydrophobicContact CD2-CB 4.24Å; L3398-L3422 HydrophobicContact CD2-CB 4.14Å; L3398-S3436 PolarHBondContact N-O 3.07Å; L3398-I3437 HydrophobicContact CB-CB 4.5Å; L3398-I3437 HydrophobicContact CB-CG1 4.3Å; L3398-I3437 HydrophobicContact CB-CG2 4.31Å; L3398-I3437 HydrophobicContact CD2-CG1 4.13Å; L3398-I3437 WeakPolarHBondContact O-CA 3.27Å; L3398-A3438 PolarHBondContact O-N 3.19Å |
| 3399 | I | 98.4 | Very high | 86.3 | Confident | 0.2 Ų | 0.2 | 33.5 Ų | 33.5 | 0% | 0.001 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 128.5 | -174.8 | -56.6 | 172.3 | 0 | 0 | 0 | 109.2 | V3215 A3217 S3226 F3376 Y3377 K3378 L3397 A3438 | V3215-I3399 HydrophobicContact CB-CD1 4.43Å; V3215-I3399 HydrophobicContact CG1-CD1 3.73Å; V3215-I3399 HydrophobicContact CG2-CD1 3.82Å; V3215-I3399 HydrophobicContact CG2-CG2 4.3Å; A3217-I3399 HydrophobicContact CB-CD1 3.95Å; A3217-I3399 HydrophobicContact CB-CG1 4.05Å; A3217-I3399 HydrophobicContact CB-CG2 4.3Å; S3226-I3399 VanDerWaalsContact OG-CG2 3.28Å; S3226-I3399 WeakPolarHBondContact OG-CG2 3.33Å; F3376-I3399 PolarHBondContact O-N 2.97Å; Y3377-I3399 WeakPolarHBondContact CA-O 3.24Å; Y3377-I3399 HydrophobicContact CD2-CB 4.01Å; Y3377-I3399 HydrophobicContact CD2-CG2 3.76Å; Y3377-I3399 HydrophobicContact CE2-CG2 4.14Å; K3378-I3399 PolarHBondContact N-O 3.12Å; K3378-I3399 VanDerWaalsContact N-O 3.09Å; L3397-I3399 HydrophobicContact CD1-CD1 4.06Å; L3397-I3399 HydrophobicContact CD1-CG1 3.78Å; L3397-I3399 HydrophobicContact CD2-CD1 3.84Å; L3397-I3399 HydrophobicContact CD2-CG1 4.42Å; L3397-I3399 HydrophobicContact CG-CD1 3.81Å; L3397-I3399 HydrophobicContact CG-CG1 3.84Å; I3399-A3438 WeakPolarHBondContact CA-O 3.45Å; I3399-A3438 HydrophobicContact CG1-CB 4.4Å |
| 3400 | E | 97.1 | Very high | 84 | Confident | 14.4 Ų | 14.4 | 40.4 Ų | 40.4 | 7% | 0.067 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 56.9 | 68 | 172.2 | -162.4 | -176.3 | 149.5 | 0 | 0 | 113.1 | Y3223 Y3377 K3378 T3379 I3402 G3439 | Y3223-E3400 HydrophobicContact CD2-CG 4.05Å; Y3223-E3400 HydrophobicContact CE2-CG 4.35Å; Y3377-E3400 HydrophobicContact CD2-CB 4.48Å; Y3377-E3400 HydrophobicContact CE2-CB 4.38Å; Y3377-E3400 WeakPolarHBondContact CE2-OE2 3.4Å; K3378-E3400 VanDerWaalsContact CA-O 3.29Å; K3378-E3400 WeakPolarHBondContact CA-O 3.38Å; K3378-E3400 WeakPolarHBondContact CE-OE1 3.34Å; K3378-E3400 WeakPolarHBondContact CE-OE2 3.33Å; K3378-E3400 HydrophobicContact CG-CB 4.34Å; K3378-E3400 HydrophobicContact CG-CG 4.22Å; K3378-E3400 WeakPolarHBondContact CG-OE1 3.13Å; K3378-E3400 IonicContact NZ-OE1 3.2Å; T3379-E3400 PolarHBondContact N-O 3.12Å; T3379-E3400 VanDerWaalsContact N-O 3.09Å; E3400-I3402 HydrophobicContact CG-CG1 4.43Å; E3400-G3439 WeakPolarHBondContact CA-O 3.32Å; E3400-G3439 PolarHBondContact N-O 3.17Å; E3400-G3439 VanDerWaalsContact N-O 3.12Å |
| 3401 | S | 96.2 | Very high | 81.7 | Confident | 5.2 Ų | 5.2 | 40.5 Ų | 40.5 | 4% | 0.036 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 117.4 | 167.7 | -64.7 | 0 | 0 | 0 | 0 | 110.8 | T3379 A3421 G3439 A3440 E3441 | T3379-S3401 WeakPolarHBondContact OG1-CA 3.31Å; T3379-S3401 WeakPolarHBondContact OG1-CB 3.32Å; T3379-S3401 PolarHBondContact OG1-OG 3.06Å; S3401-A3421 WeakPolarHBondContact OG-CA 3.41Å; S3401-A3421 VanDerWaalsContact OG-CB 3.26Å; S3401-A3421 WeakPolarHBondContact OG-CB 3.39Å; S3401-G3439 PolarHBondContact N-O 3.04Å; S3401-A3440 CarbonylContact O-C 3.53Å; S3401-A3440 VanDerWaalsContact O-CA 3.3Å; S3401-A3440 WeakPolarHBondContact O-CA 3.32Å; S3401-E3441 PolarHBondContact O-N 3.12Å |
| 3402 | I | 93.2 | Very high | 79.4 | Confident | 41.4 Ų | 41.4 | 48.6 Ų | 48.6 | 21% | 0.212 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 141.9 | -175.6 | -60.3 | 166.5 | 0 | 0 | 0 | 108.7 | Y3223 T3379 L3380 G3381 E3400 S3404 E3406 E3441 | Y3223-I3402 HydrophobicContact CE2-CG1 4.24Å; T3379-I3402 WeakPolarHBondContact O-CB 2.82Å; T3379-I3402 PolarHBondContact O-N 2.98Å; L3380-I3402 HydrophobicContact CD1-CB 4.49Å; L3380-I3402 HydrophobicContact CD1-CG2 4.13Å; G3381-I3402 VanDerWaalsContact CA-O 3.25Å; G3381-I3402 WeakPolarHBondContact CA-O 3.38Å; G3381-I3402 PolarHBondContact N-O 3.08Å; E3400-I3402 HydrophobicContact CG-CG1 4.43Å; I3402-S3404 PolarHBondContact O-N 3.13Å; I3402-E3406 HydrophobicContact CG2-CB 4.49Å; I3402-E3406 WeakPolarHBondContact CG2-OE2 3.26Å; I3402-E3441 WeakPolarHBondContact CG2-OE2 3.28Å |
| 3403 | W | 89.2 | Confident | 77.1 | Confident | 12.2 Ų | 12.2 | 49.1 Ų | 49.1 | 5% | 0.046 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 132.9 | 177.4 | -178.6 | 51.5 | 0 | 0 | 0 | 111.1 | G3405 E3406 L3414 D3415 L3417 E3419 E3441 R3442 L3565 | W3403-G3405 VanDerWaalsContact C-N 3.35Å; W3403-G3405 VanDerWaalsContact CE3-C 3.47Å; W3403-G3405 VanDerWaalsContact CZ3-C 3.44Å; W3403-G3405 PolarHBondContact O-N 3.09Å; W3403-E3406 HydrophobicContact CE3-CB 4.5Å; W3403-E3406 VanDerWaalsContact CE3-N 3.35Å; W3403-E3406 PolarHBondContact O-N 2.96Å; W3403-E3406 VanDerWaalsContact O-N 3.15Å; W3403-L3414 HydrophobicContact CH2-CB 3.9Å; W3403-L3414 WeakPolarHBondContact CH2-O 3.31Å; W3403-L3414 HydrophobicContact CZ2-CB 4.12Å; W3403-L3414 WeakPolarHBondContact CZ2-O 3.3Å; W3403-D3415 WeakPolarHBondContact CZ2-O 3.26Å; W3403-L3417 HydrophobicContact CZ2-CB 4.29Å; W3403-L3417 PolarHBondContact NE1-O 3.37Å; W3403-E3419 WeakPolarHBondContact CA-OE2 3.21Å; W3403-E3419 VanDerWaalsContact CD1-OE2 3.28Å; W3403-E3441 HydrophobicContact CB-CB 4.27Å; W3403-E3441 VanDerWaalsContact CB-CD 3.47Å; W3403-E3441 HydrophobicContact CB-CG 4.17Å; W3403-E3441 WeakPolarHBondContact CB-OE1 3.42Å; W3403-E3441 VanDerWaalsContact CB-OE2 3.28Å; W3403-E3441 WeakPolarHBondContact CB-OE2 3.36Å; W3403-E3441 PolarHBondContact N-OE2 3.26Å; W3403-R3442 HydrophobicContact CB-CG 4.46Å; W3403-R3442 VanDerWaalsContact CD2-CZ 3.48Å; W3403-R3442 VanDerWaalsContact CD2-NE 3.29Å; W3403-R3442 VanDerWaalsContact CE2-CZ 3.5Å; W3403-R3442 VanDerWaalsContact CE2-NH1 3.35Å; W3403-R3442 HydrophobicContact CG-CG 4.43Å; W3403-R3442 VanDerWaalsContact CG-NE 3.33Å; W3403-R3442 VanDerWaalsContact CH2-NH2 3.28Å; W3403-R3442 VanDerWaalsContact CZ2-CZ 3.48Å; W3403-R3442 VanDerWaalsContact CZ2-NH1 3.26Å; W3403-R3442 VanDerWaalsContact CZ2-NH2 3.29Å; W3403-R3442 VanDerWaalsContact CZ3-NH2 3.29Å; W3403-R3442 VanDerWaalsContact NE1-CZ 3.31Å; W3403-L3565 HydrophobicContact CE3-CD1 4.43Å; W3403-L3565 HydrophobicContact CZ3-CB 4.41Å; W3403-L3565 HydrophobicContact CZ3-CD1 4.47Å; W3403-L3565 HydrophobicContact CZ3-CD2 4.41Å |
| 3404 | S | 83.1 | Confident | 74.8 | Confident | 18.4 Ų | 18.4 | 51.2 Ų | 51.2 | 13% | 0.129 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -14.2 | -175.6 | 62.9 | 0 | 0 | 0 | 0 | 114.6 | K3322 I3402 E3419 | K3322-S3404 WeakPolarHBondContact CE-O 3.4Å; I3402-S3404 PolarHBondContact O-N 3.13Å; S3404-E3419 WeakPolarHBondContact CB-OE1 3.46Å; S3404-E3419 VanDerWaalsContact CB-OE2 3.25Å; S3404-E3419 WeakPolarHBondContact CB-OE2 3.35Å; S3404-E3419 PolarHBondContact N-OE2 2.89Å; S3404-E3419 VanDerWaalsContact OG-CD 3.25Å; S3404-E3419 PolarHBondContact OG-OE1 2.95Å; S3404-E3419 PolarHBondContact OG-OE2 3.21Å |
| 3405 | G | 75.3 | Confident | 72.8 | Confident | 13.8 Ų | 13.8 | 52.4 Ų | 52.4 | 14% | 0.142 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -7.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | W3403 I3407 I3408 | W3403-G3405 VanDerWaalsContact C-N 3.35Å; W3403-G3405 VanDerWaalsContact CE3-C 3.47Å; W3403-G3405 VanDerWaalsContact CZ3-C 3.44Å; W3403-G3405 PolarHBondContact O-N 3.09Å; G3405-I3407 PolarHBondContact O-N 3.2Å; G3405-I3408 PolarHBondContact O-N 3.05Å; G3405-I3408 VanDerWaalsContact O-N 3.07Å |
| 3406 | E | 66 | Low | 71.2 | Confident | 76.6 Ų | 76.6 | 51.8 Ų | 51.8 | 36% | 0.358 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -10.4 | -177.8 | -131.6 | -173.3 | -177.7 | 0 | 0 | 112.5 | K3224 K3322 I3402 W3403 I3408 A3409 L3414 L3565 | K3224-E3406 IonicContact NZ-OE1 3.1Å; K3224-E3406 PolarHBondContact NZ-OE1 3.13Å; K3322-E3406 VanDerWaalsContact NZ-CD 3.28Å; K3322-E3406 VanDerWaalsContact NZ-CG 3.3Å; K3322-E3406 IonicContact NZ-OE1 3.83Å; K3322-E3406 PolarHBondContact NZ-OE1 2.81Å; I3402-E3406 HydrophobicContact CG2-CB 4.49Å; I3402-E3406 WeakPolarHBondContact CG2-OE2 3.26Å; W3403-E3406 HydrophobicContact CE3-CB 4.5Å; W3403-E3406 VanDerWaalsContact CE3-N 3.35Å; W3403-E3406 PolarHBondContact O-N 2.96Å; W3403-E3406 VanDerWaalsContact O-N 3.15Å; E3406-I3408 HydrophobicContact CB-CG1 4.22Å; E3406-I3408 PolarHBondContact O-N 3.06Å; E3406-A3409 WeakPolarHBondContact O-CB 3.27Å; E3406-L3414 WeakPolarHBondContact O-CD1 3.45Å; E3406-L3565 HydrophobicContact CB-CD1 4.44Å; E3406-L3565 HydrophobicContact CG-CD1 3.97Å |
| 3407 | I | 53.5 | Low | 70 | Confident | 107.2 Ų | 107.2 | 55.3 Ų | 55.3 | 55% | 0.55 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 21.4 | 177.8 | -52 | 175.5 | 0 | 0 | 0 | 110.9 | L3380 G3405 A3409 L3565 | L3380-I3407 HydrophobicContact CD1-CD1 3.76Å; L3380-I3407 HydrophobicContact CD1-CG1 4.42Å; L3380-I3407 HydrophobicContact CD2-CD1 3.79Å; L3380-I3407 HydrophobicContact CG-CD1 4.46Å; G3405-I3407 PolarHBondContact O-N 3.2Å; I3407-A3409 VanDerWaalsContact C-N 3.29Å; I3407-A3409 PolarHBondContact O-N 3.09Å; I3407-A3409 VanDerWaalsContact O-N 3.15Å; I3407-L3565 HydrophobicContact CD1-CD1 3.95Å; I3407-L3565 HydrophobicContact CD1-CD2 3.86Å; I3407-L3565 HydrophobicContact CG1-CD1 3.99Å; I3407-L3565 HydrophobicContact CG1-CD2 3.63Å; I3407-L3565 VanDerWaalsContact CG1-CD2 3.45Å; I3407-L3565 HydrophobicContact CG2-CD2 4.36Å |
| 3408 | I | 50.2 | Low | 69.2 | Low | 83.6 Ų | 83.6 | 56.4 Ų | 56.4 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | trans | -87 | 83.2 | 173.1 | -51.9 | 178 | 0 | 0 | 0 | 107.8 | G3405 E3406 D3410 N3411 N3413 L3414 | G3405-I3408 PolarHBondContact O-N 3.05Å; G3405-I3408 VanDerWaalsContact O-N 3.07Å; E3406-I3408 HydrophobicContact CB-CG1 4.22Å; E3406-I3408 PolarHBondContact O-N 3.06Å; I3408-D3410 VanDerWaalsContact C-N 3.25Å; I3408-D3410 PolarHBondContact O-N 3.07Å; I3408-N3411 HydrophobicContact CB-CB 4.42Å; I3408-N3411 HydrophobicContact CG2-CB 4.19Å; I3408-N3411 PolarHBondContact O-N 2.97Å; I3408-N3411 VanDerWaalsContact O-N 3.09Å; I3408-N3413 WeakPolarHBondContact CG2-ND2 3.3Å; I3408-L3414 HydrophobicContact CB-CD1 4.13Å; I3408-L3414 HydrophobicContact CD1-CD1 3.95Å; I3408-L3414 HydrophobicContact CG1-CD1 4.45Å; I3408-L3414 HydrophobicContact CG2-CD1 3.93Å | ||
| 3409 | A | 45.5 | Very low | 68.7 | Low | 93.4 Ų | 93.4 | 57.4 Ų | 57.4 | 77% | 0.772 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | E3406 I3407 | E3406-A3409 WeakPolarHBondContact O-CB 3.27Å; I3407-A3409 VanDerWaalsContact C-N 3.29Å; I3407-A3409 PolarHBondContact O-N 3.09Å; I3407-A3409 VanDerWaalsContact O-N 3.15Å |
| 3410 | D | 44.4 | Very low | 68.5 | Low | 151.4 Ų | 151.4 | 57.5 Ų | 57.5 | 81% | 0.81 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | 17.8 | -179.2 | -123.2 | -6.6 | 0 | 0 | 0 | 113.9 | I3408 Q3412 | I3408-D3410 VanDerWaalsContact C-N 3.25Å; I3408-D3410 PolarHBondContact O-N 3.07Å; D3410-Q3412 PolarHBondContact O-N 3.13Å |
| 3411 | N | 43.8 | Very low | 68.6 | Low | 82.4 Ų | 82.4 | 56.9 Ų | 56.9 | 44% | 0.441 | 31% | 0.308 | S | S | . | . | trans | -97.5 | 79.3 | 177.7 | -103.5 | -14 | 0 | 0 | 0 | 114.6 | G2887 I3408 N3413 L3414 | G2887-N3411 PolarHBondContact O-OD1 3.07Å; I3408-N3411 HydrophobicContact CB-CB 4.42Å; I3408-N3411 HydrophobicContact CG2-CB 4.19Å; I3408-N3411 PolarHBondContact O-N 2.97Å; I3408-N3411 VanDerWaalsContact O-N 3.09Å; N3411-N3413 PolarHBondContact O-N 3.21Å; N3411-L3414 HydrophobicContact CB-CD1 3.91Å; N3411-L3414 HydrophobicContact CB-CG 4.11Å; N3411-L3414 PolarHBondContact O-N 2.94Å; N3411-L3414 VanDerWaalsContact O-N 3.14Å | ||
| 3412 | Q | 45.9 | Very low | 68.7 | Low | 169.8 Ų | 169.8 | 56.8 Ų | 56.8 | 79% | 0.793 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -7.7 | 176.1 | -65.3 | -149.4 | -5.6 | 0 | 0 | 114.9 | D3410 L3414 K3568 | D3410-Q3412 PolarHBondContact O-N 3.13Å; Q3412-L3414 PolarHBondContact O-N 3.24Å; Q3412-K3568 PolarHBondContact O-NZ 3.06Å |
| 3413 | N | 48 | Very low | 68.8 | Low | 81.8 Ų | 81.8 | 55.1 Ų | 55.1 | 44% | 0.437 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 25.2 | 176.9 | -81.1 | -26.5 | 0 | 0 | 0 | 112.8 | G2887 F2904 I3408 N3411 D3415 I3416 | G2887-N3413 VanDerWaalsContact CA-OD1 3.3Å; G2887-N3413 WeakPolarHBondContact CA-OD1 3.16Å; F2904-N3413 WeakPolarHBondContact CD1-ND2 3.29Å; I3408-N3413 WeakPolarHBondContact CG2-ND2 3.3Å; N3411-N3413 PolarHBondContact O-N 3.21Å; N3413-D3415 VanDerWaalsContact C-N 3.31Å; N3413-D3415 PolarHBondContact O-N 3.21Å; N3413-I3416 WeakPolarHBondContact O-CG1 3.19Å |
| 3414 | L | 51.1 | Low | 69.2 | Low | 45 Ų | 45 | 54.6 Ų | 54.6 | 24% | 0.236 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -70.2 | 25.8 | 175.7 | -68 | 167.4 | 0 | 0 | 0 | 111.3 | F2904 W3403 E3406 I3408 N3411 Q3412 I3416 L3417 R3442 L3565 | F2904-L3414 HydrophobicContact CD1-CD1 4.21Å; F2904-L3414 HydrophobicContact CE1-CD1 3.69Å; W3403-L3414 HydrophobicContact CH2-CB 3.9Å; W3403-L3414 WeakPolarHBondContact CH2-O 3.31Å; W3403-L3414 HydrophobicContact CZ2-CB 4.12Å; W3403-L3414 WeakPolarHBondContact CZ2-O 3.3Å; E3406-L3414 WeakPolarHBondContact O-CD1 3.45Å; I3408-L3414 HydrophobicContact CB-CD1 4.13Å; I3408-L3414 HydrophobicContact CD1-CD1 3.95Å; I3408-L3414 HydrophobicContact CG1-CD1 4.45Å; I3408-L3414 HydrophobicContact CG2-CD1 3.93Å; N3411-L3414 HydrophobicContact CB-CD1 3.91Å; N3411-L3414 HydrophobicContact CB-CG 4.11Å; N3411-L3414 PolarHBondContact O-N 2.94Å; N3411-L3414 VanDerWaalsContact O-N 3.14Å; Q3412-L3414 PolarHBondContact O-N 3.24Å; L3414-I3416 HydrophobicContact CB-CG1 4.28Å; L3414-I3416 HydrophobicContact CB-CG2 3.78Å; L3414-I3416 WeakPolarHBondContact O-CG1 3.49Å; L3414-I3416 PolarHBondContact O-N 3.01Å; L3414-L3417 PolarHBondContact O-N 3.01Å; L3414-L3417 VanDerWaalsContact O-N 3.14Å; L3414-R3442 PolarHBondContact O-NH1 3.22Å; L3414-L3565 HydrophobicContact CD2-CD2 3.69Å |
| 3415 | D | 55.5 | Low | 69.7 | Low | 44.8 Ų | 44.8 | 55.9 Ų | 55.9 | 24% | 0.24 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -55.2 | 9.6 | 178.4 | -106.9 | -12.8 | 0 | 0 | 0 | 112.8 | W3403 N3413 L3417 R3442 A3566 S3567 K3568 | W3403-D3415 WeakPolarHBondContact CZ2-O 3.26Å; N3413-D3415 VanDerWaalsContact C-N 3.31Å; N3413-D3415 PolarHBondContact O-N 3.21Å; D3415-L3417 PolarHBondContact O-N 3.19Å; D3415-R3442 PolarHBondContact O-NH1 2.75Å; D3415-R3442 PolarHBondContact O-NH2 2.87Å; D3415-R3442 IonicContact OD1-CZ 3.74Å; D3415-R3442 VanDerWaalsContact OD1-CZ 3.27Å; D3415-R3442 IonicContact OD1-NH1 2.9Å; D3415-R3442 PolarHBondContact OD1-NH1 3.39Å; D3415-R3442 IonicContact OD1-NH2 3.27Å; D3415-R3442 PolarHBondContact OD1-NH2 3.25Å; D3415-A3566 WeakPolarHBondContact OD1-CA 3.18Å; D3415-A3566 VanDerWaalsContact OD2-C 3.26Å; D3415-A3566 WeakPolarHBondContact OD2-CA 3.34Å; D3415-S3567 PolarHBondContact OD2-N 3.27Å; D3415-S3567 PolarHBondContact OD2-OG 3.39Å; D3415-K3568 HydrophobicContact CB-CB 3.96Å; D3415-K3568 HydrophobicContact CB-CD 4.03Å; D3415-K3568 HydrophobicContact CB-CG 4.07Å; D3415-K3568 WeakPolarHBondContact OD2-CB 3.31Å; D3415-K3568 WeakPolarHBondContact OD2-CG 2.84Å; D3415-K3568 PolarHBondContact OD2-N 3.23Å; D3415-K3568 IonicContact OD2-NZ 3.08Å |
| 3416 | I | 63 | Low | 70.6 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 23% | 0.226 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -96.7 | 7.6 | -171.8 | -10.3 | 170 | 0 | 0 | 0 | 112.8 | N3413 L3414 F3418 K3568 L3569 E3596 K3597 | N3413-I3416 WeakPolarHBondContact O-CG1 3.19Å; L3414-I3416 HydrophobicContact CB-CG1 4.28Å; L3414-I3416 HydrophobicContact CB-CG2 3.78Å; L3414-I3416 WeakPolarHBondContact O-CG1 3.49Å; L3414-I3416 PolarHBondContact O-N 3.01Å; I3416-F3418 HydrophobicContact CG2-CD2 4.24Å; I3416-F3418 HydrophobicContact CG2-CE2 3.47Å; I3416-F3418 HydrophobicContact CG2-CZ 3.91Å; I3416-F3418 WeakPolarHBondContact O-CD2 3.24Å; I3416-F3418 VanDerWaalsContact O-CE2 3.27Å; I3416-F3418 WeakPolarHBondContact O-CE2 3.36Å; I3416-F3418 PolarHBondContact O-N 3.09Å; I3416-F3418 VanDerWaalsContact O-N 3.09Å; I3416-K3568 HydrophobicContact CD1-CD 3.78Å; I3416-K3568 VanDerWaalsContact CD1-CD 3.41Å; I3416-K3568 HydrophobicContact CG1-CD 3.91Å; I3416-K3568 HydrophobicContact CG2-CD 4.24Å; I3416-L3569 HydrophobicContact CG2-CD2 4.46Å; I3416-E3596 VanDerWaalsContact CB-O 3.28Å; I3416-E3596 WeakPolarHBondContact CB-O 3.03Å; I3416-E3596 WeakPolarHBondContact CD1-O 3.04Å; I3416-E3596 WeakPolarHBondContact CG2-O 3.42Å; I3416-K3597 VanDerWaalsContact CD1-O 3.31Å; I3416-K3597 WeakPolarHBondContact CD1-O 3.21Å; I3416-K3597 VanDerWaalsContact CG2-C 3.48Å |
| 3417 | L | 73.5 | Confident | 71.9 | Confident | 73.8 Ų | 73.8 | 56.9 Ų | 56.9 | 39% | 0.386 | 30% | 0.302 | S | S | . | . | trans | -76.3 | 106 | 177.9 | -158.5 | 97.2 | 0 | 0 | 0 | 110.4 | W3403 L3414 D3415 E3419 R3442 | W3403-L3417 HydrophobicContact CZ2-CB 4.29Å; W3403-L3417 PolarHBondContact NE1-O 3.37Å; L3414-L3417 PolarHBondContact O-N 3.01Å; L3414-L3417 VanDerWaalsContact O-N 3.14Å; D3415-L3417 PolarHBondContact O-N 3.19Å; L3417-E3419 VanDerWaalsContact C-N 3.29Å; L3417-E3419 HydrophobicContact CD2-CB 4.14Å; L3417-E3419 HydrophobicContact CD2-CG 3.3Å; L3417-E3419 WeakPolarHBondContact CD2-OE1 3.33Å; L3417-E3419 HydrophobicContact CG-CB 4.36Å; L3417-E3419 PolarHBondContact O-N 2.89Å; L3417-E3419 VanDerWaalsContact O-N 3.09Å; L3417-R3442 PolarHBondContact O-NH1 2.93Å | ||
| 3418 | F | 82.2 | Confident | 73.6 | Confident | 22.6 Ų | 22.6 | 52.8 Ų | 52.8 | 10% | 0.099 | 28% | 0.283 | C | S | . | . | trans | -79.2 | 79.7 | 174.5 | -69.1 | -80.4 | 0 | 0 | 0 | 110.8 | I3416 L3443 Y3446 M3473 L3475 L3569 P3595 E3596 L3600 | I3416-F3418 HydrophobicContact CG2-CD2 4.24Å; I3416-F3418 HydrophobicContact CG2-CE2 3.47Å; I3416-F3418 HydrophobicContact CG2-CZ 3.91Å; I3416-F3418 WeakPolarHBondContact O-CD2 3.24Å; I3416-F3418 VanDerWaalsContact O-CE2 3.27Å; I3416-F3418 WeakPolarHBondContact O-CE2 3.36Å; I3416-F3418 PolarHBondContact O-N 3.09Å; I3416-F3418 VanDerWaalsContact O-N 3.09Å; F3418-L3443 HydrophobicContact CB-CD1 3.92Å; F3418-L3443 HydrophobicContact CD1-CD1 4.11Å; F3418-L3443 HydrophobicContact CD1-CD2 4.38Å; F3418-L3443 HydrophobicContact CG-CD1 4.42Å; F3418-Y3446 HydrophobicContact CB-CD1 4.14Å; F3418-Y3446 HydrophobicContact CB-CE1 3.77Å; F3418-Y3446 HydrophobicContact CG-CE1 4.48Å; F3418-M3473 HydrophobicContact CD1-CE 3.92Å; F3418-M3473 HydrophobicContact CD1-SD 3.48Å; F3418-M3473 VanDerWaalsContact CD1-SD 3.5Å; F3418-M3473 WeakPolarHBondContact CD1-SD 3.26Å; F3418-M3473 HydrophobicContact CD2-SD 4.42Å; F3418-M3473 HydrophobicContact CE1-CE 3.72Å; F3418-M3473 HydrophobicContact CE1-SD 3.74Å; F3418-M3473 HydrophobicContact CE2-SD 4.46Å; F3418-M3473 HydrophobicContact CG-SD 4.21Å; F3418-M3473 HydrophobicContact CZ-CE 4.31Å; F3418-M3473 HydrophobicContact CZ-SD 4.25Å; F3418-L3475 HydrophobicContact CD2-CD1 3.87Å; F3418-L3475 HydrophobicContact CE2-CD1 3.47Å; F3418-L3475 VanDerWaalsContact CE2-CD1 3.47Å; F3418-L3475 HydrophobicContact CZ-CD1 4.32Å; F3418-L3569 HydrophobicContact CD1-CD2 4.13Å; F3418-L3569 HydrophobicContact CE1-CD2 3.36Å; F3418-L3569 VanDerWaalsContact CE1-CD2 3.44Å; F3418-L3569 HydrophobicContact CZ-CD2 3.85Å; F3418-P3595 WeakPolarHBondContact CE2-O 3.28Å; F3418-P3595 VanDerWaalsContact CZ-O 3.27Å; F3418-P3595 WeakPolarHBondContact CZ-O 3.38Å; F3418-E3596 VanDerWaalsContact CE2-CA 3.48Å; F3418-E3596 HydrophobicContact CE2-CB 4.43Å; F3418-E3596 WeakPolarHBondContact CE2-O 3.31Å; F3418-L3600 HydrophobicContact CE1-CD2 4.16Å; F3418-L3600 HydrophobicContact CZ-CD2 4.05Å | ||
| 3419 | E | 87.4 | Confident | 75.3 | Confident | 24.2 Ų | 24.2 | 52.4 Ų | 52.4 | 11% | 0.113 | 28% | 0.282 | C | S | . | . | trans | -96.6 | 127.4 | 175.4 | -154.8 | 166.6 | -150.3 | 0 | 0 | 110.4 | G3381 S3382 W3403 S3404 L3417 L3443 | G3381-E3419 VanDerWaalsContact C-OE1 3.25Å; G3381-E3419 WeakPolarHBondContact CA-OE1 3.36Å; G3381-E3419 WeakPolarHBondContact CA-OE2 3.24Å; S3382-E3419 PolarHBondContact N-OE1 2.85Å; S3382-E3419 WeakPolarHBondContact OG-CG 3.44Å; W3403-E3419 WeakPolarHBondContact CA-OE2 3.21Å; W3403-E3419 VanDerWaalsContact CD1-OE2 3.28Å; S3404-E3419 WeakPolarHBondContact CB-OE1 3.46Å; S3404-E3419 VanDerWaalsContact CB-OE2 3.25Å; S3404-E3419 WeakPolarHBondContact CB-OE2 3.35Å; S3404-E3419 PolarHBondContact N-OE2 2.89Å; S3404-E3419 VanDerWaalsContact OG-CD 3.25Å; S3404-E3419 PolarHBondContact OG-OE1 2.95Å; S3404-E3419 PolarHBondContact OG-OE2 3.21Å; L3417-E3419 VanDerWaalsContact C-N 3.29Å; L3417-E3419 HydrophobicContact CD2-CB 4.14Å; L3417-E3419 HydrophobicContact CD2-CG 3.3Å; L3417-E3419 WeakPolarHBondContact CD2-OE1 3.33Å; L3417-E3419 HydrophobicContact CG-CB 4.36Å; L3417-E3419 PolarHBondContact O-N 2.89Å; L3417-E3419 VanDerWaalsContact O-N 3.09Å; E3419-L3443 VanDerWaalsContact O-CD1 3.25Å; E3419-L3443 WeakPolarHBondContact O-CD1 3.09Å; E3419-L3443 PolarHBondContact O-N 2.95Å | ||
| 3420 | A | 94.9 | Very high | 77.5 | Confident | 1.6 Ų | 1.6 | 48.2 Ų | 48.2 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 151 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | S3382 L3422 D3423 L3443 | S3382-A3420 WeakPolarHBondContact CA-O 3.27Å; S3382-A3420 WeakPolarHBondContact CB-O 3.39Å; S3382-A3420 PolarHBondContact OG-O 3.13Å; A3420-L3422 WeakPolarHBondContact CB-O 3.43Å; A3420-L3422 PolarHBondContact O-N 3.07Å; A3420-D3423 HydrophobicContact CB-CB 4.46Å; A3420-L3443 CarbonylContact C-O 3.51Å; A3420-L3443 WeakPolarHBondContact CA-O 3.32Å; A3420-L3443 HydrophobicContact CB-CB 3.67Å; A3420-L3443 HydrophobicContact CB-CD1 4.27Å |
| 3421 | A | 97.9 | Very high | 79.8 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55 | -43.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | A3383 I3384 L3398 S3401 I3437 A3440 L3443 C3444 | A3383-A3421 WeakPolarHBondContact CA-O 3.23Å; A3383-A3421 WeakPolarHBondContact CB-O 3.26Å; A3383-A3421 PolarHBondContact N-O 3.12Å; I3384-A3421 PolarHBondContact N-O 3.15Å; I3384-A3421 VanDerWaalsContact N-O 3.09Å; L3398-A3421 HydrophobicContact CD2-CB 4.24Å; S3401-A3421 WeakPolarHBondContact OG-CA 3.41Å; S3401-A3421 VanDerWaalsContact OG-CB 3.26Å; S3401-A3421 WeakPolarHBondContact OG-CB 3.39Å; A3421-I3437 HydrophobicContact CB-CG2 3.69Å; A3421-A3440 HydrophobicContact CB-CB 4.03Å; A3421-L3443 PolarHBondContact N-O 3.11Å; A3421-C3444 WeakPolarHBondContact CB-O 3.29Å; A3421-C3444 PolarHBondContact N-O 3.13Å |
| 3422 | L | 98.3 | Very high | 82.3 | Confident | 3.2 Ų | 3.2 | 39.7 Ų | 39.7 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 103.5 | 170.6 | 178.7 | 60.5 | 0 | 0 | 0 | 110.8 | I3384 L3393 L3398 A3420 I3424 L3432 C3444 V3445 Y3446 | I3384-L3422 HydrophobicContact CB-CD1 3.75Å; I3384-L3422 HydrophobicContact CD1-CD1 4.46Å; I3384-L3422 HydrophobicContact CG2-CD1 3.83Å; L3393-L3422 HydrophobicContact CD1-CD1 3.55Å; L3393-L3422 VanDerWaalsContact CD1-CD1 3.48Å; L3393-L3422 HydrophobicContact CD1-CD2 4.18Å; L3393-L3422 HydrophobicContact CD1-CG 4.42Å; L3393-L3422 HydrophobicContact CD2-CD1 3.51Å; L3393-L3422 HydrophobicContact CD2-CD2 4.34Å; L3398-L3422 HydrophobicContact CD2-CB 4.14Å; A3420-L3422 WeakPolarHBondContact CB-O 3.43Å; A3420-L3422 PolarHBondContact O-N 3.07Å; L3422-I3424 HydrophobicContact CD1-CG2 3.66Å; L3422-I3424 HydrophobicContact CD2-CD1 4.15Å; L3422-I3424 HydrophobicContact CG-CD1 4.33Å; L3422-I3424 HydrophobicContact CG-CG1 4.26Å; L3422-I3424 HydrophobicContact CG-CG2 4.02Å; L3422-L3432 HydrophobicContact CD2-CD1 3.63Å; L3422-L3432 HydrophobicContact CD2-CD2 4.36Å; L3422-C3444 PolarHBondContact N-O 3.09Å; L3422-V3445 HydrophobicContact CB-CG2 4.38Å; L3422-V3445 HydrophobicContact CD2-CG1 4.27Å; L3422-V3445 HydrophobicContact CD2-CG2 4.44Å; L3422-V3445 HydrophobicContact CG-CG1 4.45Å; L3422-V3445 WeakPolarHBondContact O-CA 3.33Å; L3422-Y3446 PolarHBondContact O-N 3.13Å |
| 3423 | D | 96.5 | Very high | 84.7 | Confident | 6.2 Ų | 6.2 | 33.4 Ų | 33.4 | 3% | 0.033 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 102.5 | 176.2 | -167.7 | -30.8 | 0 | 0 | 0 | 110.9 | I3384 W3385 L3386 A3420 K3425 | I3384-D3423 PolarHBondContact O-N 3.06Å; W3385-D3423 CarbonylContact C-O 3.54Å; W3385-D3423 VanDerWaalsContact CA-O 3.3Å; W3385-D3423 WeakPolarHBondContact CA-O 3.4Å; W3385-D3423 HydrophobicContact CB-CB 4.27Å; W3385-D3423 HydrophobicContact CG-CB 4.1Å; L3386-D3423 PolarHBondContact N-O 3.13Å; A3420-D3423 HydrophobicContact CB-CB 4.46Å; D3423-K3425 WeakPolarHBondContact OD1-CD 3.43Å; D3423-K3425 WeakPolarHBondContact OD1-CG 3.33Å; D3423-K3425 PolarHBondContact OD1-N 3.07Å; D3423-K3425 IonicContact OD1-NZ 3.23Å; D3423-K3425 PolarHBondContact OD1-NZ 3.29Å; D3423-K3425 IonicContact OD2-NZ 2.99Å; D3423-K3425 PolarHBondContact OD2-NZ 3.01Å |
| 3424 | I | 96.4 | Very high | 87 | Confident | 2.2 Ų | 2.2 | 34.8 Ų | 34.8 | 1% | 0.011 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 24.7 | -179.2 | 55.3 | 169.5 | 0 | 0 | 0 | 110.8 | L3386 L3393 L3422 Q3426 A3427 L3430 L3432 V3445 Y3446 W3460 | L3386-I3424 HydrophobicContact CB-CG2 4.38Å; L3393-I3424 HydrophobicContact CD1-CG2 4.27Å; L3422-I3424 HydrophobicContact CD1-CG2 3.66Å; L3422-I3424 HydrophobicContact CD2-CD1 4.15Å; L3422-I3424 HydrophobicContact CG-CD1 4.33Å; L3422-I3424 HydrophobicContact CG-CG1 4.26Å; L3422-I3424 HydrophobicContact CG-CG2 4.02Å; I3424-Q3426 PolarHBondContact O-N 2.96Å; I3424-Q3426 VanDerWaalsContact O-N 3.1Å; I3424-A3427 HydrophobicContact CB-CB 3.99Å; I3424-A3427 HydrophobicContact CG2-CB 4.38Å; I3424-A3427 PolarHBondContact O-N 3.26Å; I3424-A3427 VanDerWaalsContact O-N 3.09Å; I3424-L3430 HydrophobicContact CB-CD1 4.24Å; I3424-L3430 HydrophobicContact CB-CD2 4.03Å; I3424-L3430 HydrophobicContact CD1-CD1 4.47Å; I3424-L3430 HydrophobicContact CD1-CD2 3.88Å; I3424-L3430 HydrophobicContact CG1-CD2 4.27Å; I3424-L3430 HydrophobicContact CG2-CD1 3.72Å; I3424-L3430 HydrophobicContact CG2-CD2 3.85Å; I3424-L3432 HydrophobicContact CD1-CD2 4.42Å; I3424-V3445 HydrophobicContact CD1-CG1 4.3Å; I3424-V3445 HydrophobicContact CG1-CG1 4.39Å; I3424-Y3446 CarbonylContact C-O 3.41Å; I3424-Y3446 VanDerWaalsContact C-O 3.27Å; I3424-Y3446 WeakPolarHBondContact CA-O 3.29Å; I3424-Y3446 VanDerWaalsContact CG1-O 3.27Å; I3424-Y3446 WeakPolarHBondContact CG1-O 3.39Å; I3424-Y3446 PolarHBondContact N-O 3.19Å; I3424-W3460 HydrophobicContact CD1-CZ2 4.19Å |
| 3425 | K | 94.4 | Very high | 89.2 | Confident | 45.8 Ų | 45.8 | 32.8 Ų | 32.8 | 20% | 0.199 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | -15 | -175.9 | 77.6 | -167.2 | 169.3 | -78.2 | 0 | 113.7 | D3423 Y3446 | D3423-K3425 WeakPolarHBondContact OD1-CD 3.43Å; D3423-K3425 WeakPolarHBondContact OD1-CG 3.33Å; D3423-K3425 PolarHBondContact OD1-N 3.07Å; D3423-K3425 IonicContact OD1-NZ 3.23Å; D3423-K3425 PolarHBondContact OD1-NZ 3.29Å; D3423-K3425 IonicContact OD2-NZ 2.99Å; D3423-K3425 PolarHBondContact OD2-NZ 3.01Å; K3425-Y3446 HydrophobicContact CB-CD1 4.26Å; K3425-Y3446 HydrophobicContact CB-CD2 3.59Å; K3425-Y3446 HydrophobicContact CB-CE1 4.39Å; K3425-Y3446 HydrophobicContact CB-CE2 3.73Å; K3425-Y3446 HydrophobicContact CB-CG 3.85Å; K3425-Y3446 HydrophobicContact CD-CD1 3.58Å; K3425-Y3446 HydrophobicContact CD-CD2 4.34Å; K3425-Y3446 HydrophobicContact CD-CE1 3.31Å; K3425-Y3446 HydrophobicContact CD-CE2 4.11Å; K3425-Y3446 HydrophobicContact CD-CG 4.08Å; K3425-Y3446 HydrophobicContact CG-CD1 4.49Å; K3425-Y3446 HydrophobicContact CG-CE1 4.44Å; K3425-Y3446 HydrophobicContact CG-CE2 4.48Å; K3425-Y3446 PolarHBondContact N-O 3.11Å |
| 3426 | Q | 93.3 | Very high | 91.3 | Very high | 106 Ų | 106 | 30.8 Ų | 30.8 | 50% | 0.495 | 15% | 0.149 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 7.4 | 177.6 | -67.7 | 175.2 | -77.9 | 0 | 0 | 112.2 | T3387 D3388 I3424 | T3387-Q3426 HydrophobicContact CG2-CB 3.99Å; D3388-Q3426 PolarHBondContact N-O 2.95Å; D3388-Q3426 VanDerWaalsContact N-O 3.1Å; I3424-Q3426 PolarHBondContact O-N 2.96Å; I3424-Q3426 VanDerWaalsContact O-N 3.1Å |
| 3427 | A | 93.3 | Very high | 92.9 | Very high | 5 Ų | 5 | 28.8 Ų | 28.8 | 4% | 0.041 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 124 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L3386 D3388 I3424 L3430 Q3448 | L3386-A3427 HydrophobicContact CB-CB 4.37Å; D3388-A3427 CarbonylContact O-C 3.56Å; D3388-A3427 WeakPolarHBondContact O-CA 3.38Å; I3424-A3427 HydrophobicContact CB-CB 3.99Å; I3424-A3427 HydrophobicContact CG2-CB 4.38Å; I3424-A3427 PolarHBondContact O-N 3.26Å; I3424-A3427 VanDerWaalsContact O-N 3.09Å; A3427-L3430 HydrophobicContact CB-CD1 3.92Å; A3427-Q3448 WeakPolarHBondContact O-CG 3.35Å; A3427-Q3448 PolarHBondContact O-NE2 3.12Å |
| 3428 | S | 89.9 | Confident | 94.1 | Very high | 21.6 Ų | 21.6 | 25.2 Ų | 25.2 | 15% | 0.151 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 157.9 | 176.5 | 74.3 | 0 | 0 | 0 | 0 | 111.4 | D3388 G3389 N3390 L3430 | D3388-S3428 PolarHBondContact O-N 3.21Å; G3389-S3428 VanDerWaalsContact CA-O 3.27Å; G3389-S3428 WeakPolarHBondContact CA-O 3.4Å; N3390-S3428 PolarHBondContact N-O 3.03Å; N3390-S3428 VanDerWaalsContact N-O 3.15Å; S3428-L3430 PolarHBondContact O-N 2.97Å |
| 3429 | D | 87 | Confident | 94.7 | Very high | 74.8 Ų | 74.8 | 24.2 Ų | 24.2 | 40% | 0.4 | 12% | 0.116 | S | C | . | . | S | Bend | trans | 53.5 | 33.4 | 171.8 | -45.1 | -59.7 | 0 | 0 | 0 | 113.1 | ||
| 3430 | L | 90.6 | Very high | 95.1 | Very high | 5.6 Ų | 5.6 | 23.1 Ų | 23.1 | 3% | 0.029 | 11% | 0.111 | C | C | . | . | trans | -88.3 | 120.9 | -174.9 | 177.4 | 124.8 | 0 | 0 | 0 | 110.3 | L3386 H3391 L3393 I3424 A3427 S3428 L3432 I3459 | L3386-L3430 HydrophobicContact CD1-CD1 4.19Å; H3391-L3430 HydrophobicContact CB-CD1 3.75Å; H3391-L3430 HydrophobicContact CB-CG 4.03Å; H3391-L3430 CarbonylContact O-C 3.52Å; H3391-L3430 WeakPolarHBondContact O-CA 3.27Å; L3393-L3430 HydrophobicContact CB-CD2 4.4Å; L3393-L3430 HydrophobicContact CD1-CD1 3.79Å; L3393-L3430 VanDerWaalsContact CD1-CD1 3.41Å; L3393-L3430 HydrophobicContact CD1-CD2 3.97Å; L3393-L3430 HydrophobicContact CD1-CG 4.32Å; L3393-L3430 HydrophobicContact CD2-CD1 4.47Å; L3393-L3430 HydrophobicContact CG-CD1 4.32Å; L3393-L3430 HydrophobicContact CG-CD2 4.21Å; L3393-L3430 HydrophobicContact CG-CG 4.42Å; I3424-L3430 HydrophobicContact CB-CD1 4.24Å; I3424-L3430 HydrophobicContact CB-CD2 4.03Å; I3424-L3430 HydrophobicContact CD1-CD1 4.47Å; I3424-L3430 HydrophobicContact CD1-CD2 3.88Å; I3424-L3430 HydrophobicContact CG1-CD2 4.27Å; I3424-L3430 HydrophobicContact CG2-CD1 3.72Å; I3424-L3430 HydrophobicContact CG2-CD2 3.85Å; A3427-L3430 HydrophobicContact CB-CD1 3.92Å; S3428-L3430 PolarHBondContact O-N 2.97Å; L3430-L3432 HydrophobicContact CD2-CB 4.01Å; L3430-L3432 HydrophobicContact CD2-CD1 4.18Å; L3430-L3432 HydrophobicContact CD2-CG 4.48Å; L3430-L3432 PolarHBondContact O-N 3.11Å; L3430-I3459 WeakPolarHBondContact O-CG2 3.19Å | ||
| 3431 | I | 93.7 | Very high | 95.1 | Very high | 52 Ų | 52 | 23.4 Ų | 23.4 | 27% | 0.267 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 117.5 | 171.1 | -60.6 | 179.6 | 0 | 0 | 0 | 108.9 | H3391 K3392 L3393 I3394 Q3433 | H3391-I3431 PolarHBondContact O-N 3.15Å; K3392-I3431 HydrophobicContact CD-CD1 4.39Å; K3392-I3431 HydrophobicContact CG-CB 4.36Å; K3392-I3431 HydrophobicContact CG-CD1 4.16Å; K3392-I3431 HydrophobicContact CG-CG1 4.45Å; L3393-I3431 PolarHBondContact N-O 3.27Å; I3394-I3431 HydrophobicContact CD1-CG2 4.46Å; I3394-I3431 HydrophobicContact CG1-CG2 4.46Å; I3431-Q3433 VanDerWaalsContact CG2-CD 3.49Å; I3431-Q3433 HydrophobicContact CG2-CG 3.68Å |
| 3432 | L | 95.3 | Very high | 94.8 | Very high | 2.2 Ų | 2.2 | 23.6 Ų | 23.6 | 1% | 0.012 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 94.8 | 179.6 | -170.6 | 71.9 | 0 | 0 | 0 | 109.3 | L3393 L3422 I3424 L3430 N3435 I3459 W3460 E3461 N3463 | L3393-L3432 HydrophobicContact CB-CD1 3.82Å; L3393-L3432 HydrophobicContact CD1-CD1 3.93Å; L3393-L3432 HydrophobicContact CD2-CD1 4.08Å; L3393-L3432 HydrophobicContact CG-CD1 4.48Å; L3393-L3432 WeakPolarHBondContact O-CA 3.4Å; L3422-L3432 HydrophobicContact CD2-CD1 3.63Å; L3422-L3432 HydrophobicContact CD2-CD2 4.36Å; I3424-L3432 HydrophobicContact CD1-CD2 4.42Å; L3430-L3432 HydrophobicContact CD2-CB 4.01Å; L3430-L3432 HydrophobicContact CD2-CD1 4.18Å; L3430-L3432 HydrophobicContact CD2-CG 4.48Å; L3430-L3432 PolarHBondContact O-N 3.11Å; L3432-N3435 HydrophobicContact CD1-CB 4.47Å; L3432-N3435 VanDerWaalsContact CD1-ND2 3.31Å; L3432-N3435 WeakPolarHBondContact CD1-ND2 3.2Å; L3432-I3459 CarbonylContact C-O 3.56Å; L3432-I3459 PolarHBondContact N-O 3.11Å; L3432-W3460 HydrophobicContact CB-CD2 4.27Å; L3432-W3460 HydrophobicContact CB-CG 4.2Å; L3432-W3460 HydrophobicContact CD2-CD2 3.85Å; L3432-W3460 HydrophobicContact CD2-CE3 3.97Å; L3432-W3460 HydrophobicContact CD2-CH2 3.71Å; L3432-W3460 HydrophobicContact CD2-CZ2 3.59Å; L3432-W3460 HydrophobicContact CD2-CZ3 3.89Å; L3432-W3460 VanDerWaalsContact O-CA 3.29Å; L3432-W3460 WeakPolarHBondContact O-CA 3.17Å; L3432-E3461 PolarHBondContact O-N 2.96Å; L3432-E3461 VanDerWaalsContact O-N 3.14Å; L3432-N3463 PolarHBondContact O-ND2 2.98Å; L3432-N3463 PolarHBondContact O-OD1 2.91Å |
| 3433 | Q | 96 | Very high | 94.6 | Very high | 37 Ų | 37 | 23.5 Ų | 23.5 | 17% | 0.173 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 133.5 | -173.7 | -63.8 | 178 | -9.4 | 0 | 0 | 112.4 | L3393 I3394 H3395 I3431 N3435 A3458 E3461 | L3393-Q3433 PolarHBondContact O-N 3.02Å; I3394-Q3433 CarbonylContact C-O 3.53Å; I3394-Q3433 VanDerWaalsContact CA-O 3.27Å; I3394-Q3433 WeakPolarHBondContact CA-O 3.34Å; H3395-Q3433 PolarHBondContact N-O 3.12Å; I3431-Q3433 VanDerWaalsContact CG2-CD 3.49Å; I3431-Q3433 HydrophobicContact CG2-CG 3.68Å; Q3433-N3435 PolarHBondContact N-ND2 2.93Å; Q3433-N3435 VanDerWaalsContact N-ND2 3.18Å; Q3433-N3435 PolarHBondContact O-N 2.87Å; Q3433-N3435 VanDerWaalsContact O-N 3.12Å; Q3433-N3435 PolarHBondContact O-ND2 3.26Å; Q3433-N3435 VanDerWaalsContact O-ND2 3.13Å; Q3433-A3458 PolarHBondContact NE2-O 3.03Å; Q3433-A3458 VanDerWaalsContact NE2-O 3.14Å; Q3433-E3461 CarbonylContact C-O 3.44Å; Q3433-E3461 VanDerWaalsContact CA-O 3.29Å; Q3433-E3461 WeakPolarHBondContact CA-O 3.38Å; Q3433-E3461 HydrophobicContact CB-CB 4.42Å; Q3433-E3461 HydrophobicContact CG-CB 3.96Å |
| 3434 | R | 96.3 | Very high | 94.7 | Very high | 112 Ų | 112 | 23.2 Ų | 23.2 | 42% | 0.423 | 11% | 0.111 | S | C | . | . | S | Bend | trans | 59.8 | 20.6 | 171.4 | -57.2 | 176.1 | -117.5 | 153.3 | -0.3 | 114.6 | I3394 H3395 E3461 K3462 N3463 | I3394-R3434 VanDerWaalsContact CG2-NH2 3.29Å; H3395-R3434 VanDerWaalsContact CA-O 3.29Å; H3395-R3434 WeakPolarHBondContact CA-O 3.41Å; H3395-R3434 HydrophobicContact CB-CB 4.31Å; R3434-E3461 PolarHBondContact N-O 2.79Å; R3434-E3461 IonicContact NH2-OE2 3.89Å; R3434-K3462 VanDerWaalsContact CA-O 3.31Å; R3434-K3462 WeakPolarHBondContact CA-O 3.26Å; R3434-K3462 HydrophobicContact CG-CB 4.14Å; R3434-K3462 HydrophobicContact CG-CD 4.37Å; R3434-N3463 PolarHBondContact N-OD1 3Å |
| 3435 | N | 98.1 | Very high | 94.8 | Very high | 3.8 Ų | 3.8 | 23.2 Ų | 23.2 | 2% | 0.02 | 11% | 0.111 | C | C | . | . | trans | -81.4 | 140.6 | 177.6 | -54.1 | -84.8 | 0 | 0 | 0 | 109.5 | L3393 N3396 L3432 Q3433 I3437 N3463 I3464 | L3393-N3435 PolarHBondContact O-ND2 3.09Å; L3393-N3435 PolarHBondContact O-OD1 3.25Å; N3396-N3435 WeakPolarHBondContact CB-OD1 3.26Å; N3396-N3435 PolarHBondContact N-OD1 3.27Å; N3396-N3435 PolarHBondContact ND2-OD1 3.02Å; N3396-N3435 CarbonylContact O-C 3.47Å; N3396-N3435 VanDerWaalsContact O-CA 3.23Å; N3396-N3435 WeakPolarHBondContact O-CA 3.19Å; L3432-N3435 HydrophobicContact CD1-CB 4.47Å; L3432-N3435 VanDerWaalsContact CD1-ND2 3.31Å; L3432-N3435 WeakPolarHBondContact CD1-ND2 3.2Å; Q3433-N3435 PolarHBondContact N-ND2 2.93Å; Q3433-N3435 VanDerWaalsContact N-ND2 3.18Å; Q3433-N3435 PolarHBondContact O-N 2.87Å; Q3433-N3435 VanDerWaalsContact O-N 3.12Å; Q3433-N3435 PolarHBondContact O-ND2 3.26Å; Q3433-N3435 VanDerWaalsContact O-ND2 3.13Å; N3435-I3437 HydrophobicContact CB-CD1 4.28Å; N3435-N3463 PolarHBondContact N-OD1 3.14Å; N3435-N3463 VanDerWaalsContact N-OD1 3.15Å; N3435-N3463 PolarHBondContact ND2-OD1 3.15Å; N3435-N3463 CarbonylContact O-C 3.47Å; N3435-N3463 VanDerWaalsContact O-CA 3.31Å; N3435-N3463 WeakPolarHBondContact O-CA 3.3Å; N3435-I3464 PolarHBondContact O-N 3.21Å | ||
| 3436 | S | 98.3 | Very high | 94.9 | Very high | 2.2 Ų | 2.2 | 22 Ų | 22 | 2% | 0.015 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 128.3 | 168.7 | -172.3 | 0 | 0 | 0 | 0 | 110.6 | E3268 N3396 L3397 L3398 I3464 | E3268-S3436 VanDerWaalsContact CD-OG 3.27Å; E3268-S3436 WeakPolarHBondContact OE1-CB 3.3Å; E3268-S3436 PolarHBondContact OE1-OG 3.18Å; N3396-S3436 PolarHBondContact O-N 3.1Å; L3397-S3436 CarbonylContact C-O 3.54Å; L3397-S3436 WeakPolarHBondContact CA-O 3.32Å; L3398-S3436 PolarHBondContact N-O 3.07Å; S3436-I3464 CarbonylContact C-O 3.53Å; S3436-I3464 WeakPolarHBondContact CA-O 3.41Å |
| 3437 | I | 98.5 | Very high | 95.1 | Very high | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 103.9 | 175.4 | -56.7 | 91.1 | 0 | 0 | 0 | 107 | L3398 A3421 N3435 C3444 V3445 I3464 V3465 H3466 | L3398-I3437 HydrophobicContact CB-CB 4.5Å; L3398-I3437 HydrophobicContact CB-CG1 4.3Å; L3398-I3437 HydrophobicContact CB-CG2 4.31Å; L3398-I3437 HydrophobicContact CD2-CG1 4.13Å; L3398-I3437 WeakPolarHBondContact O-CA 3.27Å; A3421-I3437 HydrophobicContact CB-CG2 3.69Å; N3435-I3437 HydrophobicContact CB-CD1 4.28Å; I3437-C3444 HydrophobicContact CB-CB 4.42Å; I3437-C3444 HydrophobicContact CG2-CB 3.78Å; I3437-V3445 HydrophobicContact CD1-CG2 4.11Å; I3437-V3445 HydrophobicContact CG1-CG2 4.38Å; I3437-I3464 PolarHBondContact N-O 3.17Å; I3437-V3465 HydrophobicContact CD1-CG2 4.17Å; I3437-V3465 CarbonylContact O-C 3.52Å; I3437-V3465 WeakPolarHBondContact O-CA 3.41Å; I3437-H3466 PolarHBondContact O-N 3.23Å |
| 3438 | A | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 72.8 | -164.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A3217 L3397 L3398 I3399 H3466 | A3217-A3438 HydrophobicContact CB-CB 3.69Å; L3397-A3438 HydrophobicContact CD1-CB 4.46Å; L3398-A3438 PolarHBondContact O-N 3.19Å; I3399-A3438 WeakPolarHBondContact CA-O 3.45Å; I3399-A3438 HydrophobicContact CG1-CB 4.4Å; A3438-H3466 VanDerWaalsContact CA-CE1 3.46Å; A3438-H3466 WeakPolarHBondContact CA-CE1 3.33Å; A3438-H3466 WeakPolarHBondContact CA-NE2 3.19Å; A3438-H3466 WeakPolarHBondContact CB-CE1 3.42Å; A3438-H3466 VanDerWaalsContact CB-NE2 3.26Å; A3438-H3466 WeakPolarHBondContact CB-NE2 3.39Å |
| 3439 | G | 94.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 111.8 | 112.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E3400 S3401 H3466 S3467 | E3400-G3439 WeakPolarHBondContact CA-O 3.32Å; E3400-G3439 PolarHBondContact N-O 3.17Å; E3400-G3439 VanDerWaalsContact N-O 3.12Å; S3401-G3439 PolarHBondContact N-O 3.04Å; G3439-H3466 PolarHBondContact N-O 3Å; G3439-S3467 VanDerWaalsContact CA-O 3.3Å; G3439-S3467 WeakPolarHBondContact CA-O 3.33Å |
| 3440 | A | 96 | Very high | 95.3 | Very high | 2.8 Ų | 2.8 | 13.3 Ų | 13.3 | 2% | 0.023 | 6% | 0.06 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 141.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | S3401 A3421 R3442 L3443 S3467 C3468 | S3401-A3440 CarbonylContact O-C 3.53Å; S3401-A3440 VanDerWaalsContact O-CA 3.3Å; S3401-A3440 WeakPolarHBondContact O-CA 3.32Å; A3421-A3440 HydrophobicContact CB-CB 4.03Å; A3440-R3442 VanDerWaalsContact C-N 3.25Å; A3440-R3442 PolarHBondContact O-N 2.91Å; A3440-L3443 VanDerWaalsContact CB-O 3.25Å; A3440-L3443 WeakPolarHBondContact CB-O 3.39Å; A3440-S3467 PolarHBondContact N-O 3.02Å; A3440-S3467 VanDerWaalsContact N-O 3.16Å; A3440-C3468 HydrophobicContact CB-CB 4Å; A3440-C3468 WeakPolarHBondContact CB-SG 3.23Å; A3440-C3468 PolarHBondContact N-SG 2.77Å; A3440-C3468 VanDerWaalsContact O-CA 3.3Å; A3440-C3468 WeakPolarHBondContact O-CA 3.4Å; A3440-C3468 WeakPolarHBondContact O-CB 3.31Å |
| 3441 | E | 94.2 | Very high | 95.4 | Very high | 7.2 Ų | 7.2 | 14.3 Ų | 14.3 | 3% | 0.034 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | -34 | 179.7 | -174.4 | 176.5 | 154 | 0 | 0 | 112.4 | Y3223 S3401 I3402 W3403 L3469 A3562 | Y3223-E3441 HydrophobicContact CD1-CB 4.39Å; Y3223-E3441 HydrophobicContact CD2-CB 4.37Å; Y3223-E3441 HydrophobicContact CE1-CB 3.83Å; Y3223-E3441 HydrophobicContact CE1-CG 3.78Å; Y3223-E3441 HydrophobicContact CE2-CB 3.89Å; Y3223-E3441 HydrophobicContact CE2-CG 4.39Å; Y3223-E3441 VanDerWaalsContact CZ-CB 3.48Å; Y3223-E3441 VanDerWaalsContact OH-CD 3.27Å; Y3223-E3441 VanDerWaalsContact OH-CG 3.28Å; Y3223-E3441 WeakPolarHBondContact OH-CG 3.4Å; Y3223-E3441 PolarHBondContact OH-OE2 3.12Å; Y3223-E3441 VanDerWaalsContact OH-OE2 3.05Å; S3401-E3441 PolarHBondContact O-N 3.12Å; I3402-E3441 WeakPolarHBondContact CG2-OE2 3.28Å; W3403-E3441 HydrophobicContact CB-CB 4.27Å; W3403-E3441 VanDerWaalsContact CB-CD 3.47Å; W3403-E3441 HydrophobicContact CB-CG 4.17Å; W3403-E3441 WeakPolarHBondContact CB-OE1 3.42Å; W3403-E3441 VanDerWaalsContact CB-OE2 3.28Å; W3403-E3441 WeakPolarHBondContact CB-OE2 3.36Å; W3403-E3441 PolarHBondContact N-OE2 3.26Å; E3441-L3469 VanDerWaalsContact O-CD1 3.27Å; E3441-L3469 WeakPolarHBondContact O-CD1 3.2Å; E3441-L3469 VanDerWaalsContact O-CG 3.29Å; E3441-L3469 WeakPolarHBondContact O-CG 3.3Å; E3441-A3562 HydrophobicContact CG-CB 3.86Å |
| 3442 | R | 92 | Very high | 95.2 | Very high | 5.4 Ų | 5.4 | 13.7 Ų | 13.7 | 2% | 0.02 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | -92.8 | 178.4 | -65.6 | -175.9 | 174.3 | -152.9 | -7.9 | 111.3 | W3403 L3414 D3415 L3417 A3440 L3469 I3470 L3565 L3569 | W3403-R3442 HydrophobicContact CB-CG 4.46Å; W3403-R3442 VanDerWaalsContact CD2-CZ 3.48Å; W3403-R3442 VanDerWaalsContact CD2-NE 3.29Å; W3403-R3442 VanDerWaalsContact CE2-CZ 3.5Å; W3403-R3442 VanDerWaalsContact CE2-NH1 3.35Å; W3403-R3442 HydrophobicContact CG-CG 4.43Å; W3403-R3442 VanDerWaalsContact CG-NE 3.33Å; W3403-R3442 VanDerWaalsContact CH2-NH2 3.28Å; W3403-R3442 VanDerWaalsContact CZ2-CZ 3.48Å; W3403-R3442 VanDerWaalsContact CZ2-NH1 3.26Å; W3403-R3442 VanDerWaalsContact CZ2-NH2 3.29Å; W3403-R3442 VanDerWaalsContact CZ3-NH2 3.29Å; W3403-R3442 VanDerWaalsContact NE1-CZ 3.31Å; L3414-R3442 PolarHBondContact O-NH1 3.22Å; D3415-R3442 PolarHBondContact O-NH1 2.75Å; D3415-R3442 PolarHBondContact O-NH2 2.87Å; D3415-R3442 IonicContact OD1-CZ 3.74Å; D3415-R3442 VanDerWaalsContact OD1-CZ 3.27Å; D3415-R3442 IonicContact OD1-NH1 2.9Å; D3415-R3442 PolarHBondContact OD1-NH1 3.39Å; D3415-R3442 IonicContact OD1-NH2 3.27Å; D3415-R3442 PolarHBondContact OD1-NH2 3.25Å; L3417-R3442 PolarHBondContact O-NH1 2.93Å; A3440-R3442 VanDerWaalsContact C-N 3.25Å; A3440-R3442 PolarHBondContact O-N 2.91Å; R3442-L3469 HydrophobicContact CG-CD1 4.5Å; R3442-L3469 WeakPolarHBondContact O-CB 3.3Å; R3442-L3469 PolarHBondContact O-N 3Å; R3442-L3469 VanDerWaalsContact O-N 3.08Å; R3442-I3470 PolarHBondContact O-N 2.82Å; R3442-I3470 VanDerWaalsContact O-N 3.1Å; R3442-L3565 PolarHBondContact NH2-O 2.97Å; R3442-L3565 VanDerWaalsContact NH2-O 3.1Å; R3442-L3569 HydrophobicContact CB-CD1 4.35Å; R3442-L3569 HydrophobicContact CG-CD1 4.21Å |
| 3443 | L | 95.6 | Very high | 94.6 | Very high | 0.4 Ų | 0.4 | 17 Ų | 17 | 0% | 0.002 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 137.1 | -173.6 | -42.7 | 163.1 | 0 | 0 | 0 | 110 | F3418 E3419 A3420 A3421 A3440 Y3446 I3470 M3473 | F3418-L3443 HydrophobicContact CB-CD1 3.92Å; F3418-L3443 HydrophobicContact CD1-CD1 4.11Å; F3418-L3443 HydrophobicContact CD1-CD2 4.38Å; F3418-L3443 HydrophobicContact CG-CD1 4.42Å; E3419-L3443 VanDerWaalsContact O-CD1 3.25Å; E3419-L3443 WeakPolarHBondContact O-CD1 3.09Å; E3419-L3443 PolarHBondContact O-N 2.95Å; A3420-L3443 CarbonylContact C-O 3.51Å; A3420-L3443 WeakPolarHBondContact CA-O 3.32Å; A3420-L3443 HydrophobicContact CB-CB 3.67Å; A3420-L3443 HydrophobicContact CB-CD1 4.27Å; A3421-L3443 PolarHBondContact N-O 3.11Å; A3440-L3443 VanDerWaalsContact CB-O 3.25Å; A3440-L3443 WeakPolarHBondContact CB-O 3.39Å; L3443-Y3446 HydrophobicContact CD1-CD1 4.11Å; L3443-Y3446 HydrophobicContact CD1-CG 4.31Å; L3443-I3470 CarbonylContact C-O 3.38Å; L3443-I3470 WeakPolarHBondContact CA-O 3.25Å; L3443-I3470 HydrophobicContact CD2-CB 3.66Å; L3443-I3470 HydrophobicContact CD2-CD1 3.77Å; L3443-I3470 HydrophobicContact CD2-CG1 3.89Å; L3443-I3470 HydrophobicContact CD2-CG2 4.04Å; L3443-I3470 HydrophobicContact CG-CB 4.2Å; L3443-M3473 HydrophobicContact CD1-CB 4.31Å; L3443-M3473 HydrophobicContact CD1-SD 4Å; L3443-M3473 HydrophobicContact CD2-CB 3.47Å; L3443-M3473 VanDerWaalsContact CD2-CB 3.47Å; L3443-M3473 HydrophobicContact CD2-CE 3.79Å; L3443-M3473 HydrophobicContact CD2-CG 4.03Å; L3443-M3473 HydrophobicContact CD2-SD 4.05Å; L3443-M3473 WeakPolarHBondContact CD2-SD 3.24Å |
| 3444 | C | 98.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -53.2 | 168.6 | -87.2 | 0 | 0 | 0 | 0 | 110.3 | A3421 L3422 I3437 V3465 H3466 C3468 I3470 G3471 | A3421-C3444 WeakPolarHBondContact CB-O 3.29Å; A3421-C3444 PolarHBondContact N-O 3.13Å; L3422-C3444 PolarHBondContact N-O 3.09Å; I3437-C3444 HydrophobicContact CB-CB 4.42Å; I3437-C3444 HydrophobicContact CG2-CB 3.78Å; C3444-V3465 HydrophobicContact CB-CG1 3.4Å; C3444-V3465 VanDerWaalsContact CB-CG1 3.42Å; C3444-V3465 VanDerWaalsContact SG-CG1 3.57Å; C3444-V3465 WeakPolarHBondContact SG-CG1 3.27Å; C3444-H3466 PolarHBondContact SG-O 3.18Å; C3444-H3466 VanDerWaalsContact SG-O 3.37Å; C3444-C3468 VanDerWaalsContact CA-SG 3.52Å; C3444-C3468 WeakPolarHBondContact CA-SG 3.42Å; C3444-C3468 HydrophobicContact CB-CB 3.98Å; C3444-C3468 WeakPolarHBondContact CB-SG 3.39Å; C3444-C3468 WeakPolarHBondContact SG-CB 3.24Å; C3444-C3468 CovalentContact SG-SG 2.03Å; C3444-C3468 PolarHBondContact SG-SG 2.86Å; C3444-I3470 PolarHBondContact N-O 3.07Å; C3444-G3471 VanDerWaalsContact CB-O 3.26Å; C3444-G3471 WeakPolarHBondContact CB-O 3.34Å |
| 3445 | V | 98.2 | Very high | 91.7 | Very high | 2.2 Ų | 2.2 | 22.2 Ų | 22.2 | 1% | 0.013 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 129.6 | -177.8 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | L3422 I3424 I3437 W3460 V3465 G3471 I3472 M3473 | L3422-V3445 HydrophobicContact CB-CG2 4.38Å; L3422-V3445 HydrophobicContact CD2-CG1 4.27Å; L3422-V3445 HydrophobicContact CD2-CG2 4.44Å; L3422-V3445 HydrophobicContact CG-CG1 4.45Å; L3422-V3445 WeakPolarHBondContact O-CA 3.33Å; I3424-V3445 HydrophobicContact CD1-CG1 4.3Å; I3424-V3445 HydrophobicContact CG1-CG1 4.39Å; I3437-V3445 HydrophobicContact CD1-CG2 4.11Å; I3437-V3445 HydrophobicContact CG1-CG2 4.38Å; V3445-W3460 HydrophobicContact CG1-CH2 4.45Å; V3445-V3465 HydrophobicContact CG2-CG2 4.07Å; V3445-G3471 PolarHBondContact N-O 2.96Å; V3445-I3472 HydrophobicContact CB-CG1 4.19Å; V3445-I3472 HydrophobicContact CB-CG2 4.39Å; V3445-I3472 HydrophobicContact CG1-CG2 4.47Å; V3445-I3472 HydrophobicContact CG2-CG1 4.49Å; V3445-I3472 CarbonylContact O-C 3.46Å; V3445-I3472 WeakPolarHBondContact O-CA 3.24Å; V3445-M3473 PolarHBondContact O-N 2.95Å |
| 3446 | Y | 97.1 | Very high | 90.1 | Very high | 19.8 Ų | 19.8 | 22.1 Ų | 22.1 | 8% | 0.078 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 114.9 | 168.2 | -166.9 | 175.7 | 0 | 0 | 0 | 108.9 | F3418 L3422 I3424 K3425 L3443 M3473 L3475 | F3418-Y3446 HydrophobicContact CB-CD1 4.14Å; F3418-Y3446 HydrophobicContact CB-CE1 3.77Å; F3418-Y3446 HydrophobicContact CG-CE1 4.48Å; L3422-Y3446 PolarHBondContact O-N 3.13Å; I3424-Y3446 CarbonylContact C-O 3.41Å; I3424-Y3446 VanDerWaalsContact C-O 3.27Å; I3424-Y3446 WeakPolarHBondContact CA-O 3.29Å; I3424-Y3446 VanDerWaalsContact CG1-O 3.27Å; I3424-Y3446 WeakPolarHBondContact CG1-O 3.39Å; I3424-Y3446 PolarHBondContact N-O 3.19Å; K3425-Y3446 HydrophobicContact CB-CD1 4.26Å; K3425-Y3446 HydrophobicContact CB-CD2 3.59Å; K3425-Y3446 HydrophobicContact CB-CE1 4.39Å; K3425-Y3446 HydrophobicContact CB-CE2 3.73Å; K3425-Y3446 HydrophobicContact CB-CG 3.85Å; K3425-Y3446 HydrophobicContact CD-CD1 3.58Å; K3425-Y3446 HydrophobicContact CD-CD2 4.34Å; K3425-Y3446 HydrophobicContact CD-CE1 3.31Å; K3425-Y3446 HydrophobicContact CD-CE2 4.11Å; K3425-Y3446 HydrophobicContact CD-CG 4.08Å; K3425-Y3446 HydrophobicContact CG-CD1 4.49Å; K3425-Y3446 HydrophobicContact CG-CE1 4.44Å; K3425-Y3446 HydrophobicContact CG-CE2 4.48Å; K3425-Y3446 PolarHBondContact N-O 3.11Å; L3443-Y3446 HydrophobicContact CD1-CD1 4.11Å; L3443-Y3446 HydrophobicContact CD1-CG 4.31Å; Y3446-M3473 HydrophobicContact CD2-CB 4.27Å; Y3446-M3473 HydrophobicContact CD2-CG 4.19Å; Y3446-M3473 VanDerWaalsContact CD2-O 3.31Å; Y3446-M3473 WeakPolarHBondContact CD2-O 3.41Å; Y3446-M3473 HydrophobicContact CE2-CG 4.21Å; Y3446-L3475 HydrophobicContact CE2-CB 4.19Å; Y3446-L3475 HydrophobicContact CE2-CG 4.03Å; Y3446-L3475 WeakPolarHBondContact OH-CB 3.29Å; Y3446-L3475 WeakPolarHBondContact OH-CD1 3.3Å; Y3446-L3475 WeakPolarHBondContact OH-CG 3.32Å |
| 3447 | T | 95.8 | Very high | 88.3 | Confident | 3.8 Ų | 3.8 | 24.9 Ų | 24.9 | 2% | 0.023 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 161.9 | -170 | -174.5 | 0 | 0 | 0 | 0 | 112.6 | G3449 W3460 I3472 M3473 Q3474 I3484 | T3447-G3449 PolarHBondContact OG1-N 3.24Å; T3447-W3460 HydrophobicContact CG2-CH2 4Å; T3447-W3460 HydrophobicContact CG2-CZ2 4.47Å; T3447-I3472 HydrophobicContact CG2-CG2 3.69Å; T3447-M3473 PolarHBondContact N-O 2.73Å; T3447-Q3474 WeakPolarHBondContact O-CA 3.29Å; T3447-Q3474 WeakPolarHBondContact O-CG 3.35Å; T3447-I3484 HydrophobicContact CG2-CD1 4.39Å |
| 3448 | Q | 92.4 | Very high | 86.7 | Confident | 14.2 Ų | 14.2 | 28 Ų | 28 | 7% | 0.066 | 16% | 0.164 | C | C | . | . | trans | -95.9 | 4.4 | 164.2 | 69.8 | 172.4 | -48 | 0 | 0 | 114.1 | A3427 Q3474 K3476 T3477 Y3479 | A3427-Q3448 WeakPolarHBondContact O-CG 3.35Å; A3427-Q3448 PolarHBondContact O-NE2 3.12Å; Q3448-Q3474 PolarHBondContact O-NE2 2.92Å; Q3448-K3476 VanDerWaalsContact CA-O 3.28Å; Q3448-K3476 WeakPolarHBondContact CA-O 3.4Å; Q3448-K3476 WeakPolarHBondContact CB-O 3.24Å; Q3448-T3477 VanDerWaalsContact O-CB 3.27Å; Q3448-T3477 WeakPolarHBondContact O-CB 3.36Å; Q3448-T3477 PolarHBondContact O-OG1 3.35Å; Q3448-Y3479 HydrophobicContact CG-CE2 4.48Å | ||
| 3449 | G | 91.7 | Very high | 86 | Confident | 3.8 Ų | 3.8 | 29.4 Ų | 29.4 | 4% | 0.039 | 17% | 0.171 | C | C | . | . | trans | 69.6 | -166.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T3447 Y3479 | T3447-G3449 PolarHBondContact OG1-N 3.24Å; G3449-Y3479 WeakPolarHBondContact O-CE2 3.31Å | ||
| 3450 | N | 92 | Very high | 85.7 | Confident | 3.8 Ų | 3.8 | 29.6 Ų | 29.6 | 2% | 0.02 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 159.6 | 173.7 | -61 | -65 | 0 | 0 | 0 | 110.4 | W3460 T3482 I3483 | N3450-W3460 PolarHBondContact ND2-NE1 2.95Å; N3450-W3460 VanDerWaalsContact ND2-NE1 3.11Å; N3450-W3460 PolarHBondContact OD1-NE1 3.3Å; N3450-T3482 CarbonylContact O-C 3.46Å; N3450-T3482 VanDerWaalsContact O-CA 3.23Å; N3450-T3482 WeakPolarHBondContact O-CA 3.25Å; N3450-T3482 PolarHBondContact O-OG1 2.99Å; N3450-T3482 VanDerWaalsContact O-OG1 3.11Å; N3450-I3483 HydrophobicContact CB-CG2 3.91Å; N3450-I3483 PolarHBondContact N-O 3.01Å; N3450-I3483 VanDerWaalsContact N-O 3.15Å; N3450-I3483 PolarHBondContact O-N 3.04Å |
| 3451 | P | 91.1 | Very high | 85.4 | Confident | 27.4 Ų | 27.4 | 32.3 Ų | 32.3 | 18% | 0.178 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 150.3 | 168.4 | 27.8 | -34.4 | 0 | 0 | 0 | 111.1 | D3453 S3456 Y3479 I3483 | P3451-D3453 WeakPolarHBondContact CB-OD1 3.09Å; P3451-D3453 WeakPolarHBondContact CG-OD1 3.45Å; P3451-D3453 VanDerWaalsContact CG-OD2 3.32Å; P3451-D3453 WeakPolarHBondContact CG-OD2 3.33Å; P3451-D3453 PolarHBondContact O-N 2.99Å; P3451-S3456 WeakPolarHBondContact O-CB 3.29Å; P3451-S3456 PolarHBondContact O-OG 2.97Å; P3451-Y3479 HydrophobicContact CB-CD1 3.81Å; P3451-Y3479 HydrophobicContact CB-CE1 4.13Å; P3451-Y3479 HydrophobicContact CB-CG 4.07Å; P3451-Y3479 HydrophobicContact CG-CD1 4.37Å; P3451-Y3479 HydrophobicContact CG-CE1 4.18Å; P3451-I3483 VanDerWaalsContact O-CG2 3.29Å; P3451-I3483 WeakPolarHBondContact O-CG2 3.28Å |
| 3452 | C | 90.1 | Very high | 85.3 | Confident | 39 Ų | 39 | 37.9 Ų | 37.9 | 26% | 0.264 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -77.2 | 47.6 | 174.7 | -57.9 | 0 | 0 | 0 | 0 | 113.1 | C3481 T3482 Q3506 | C3452-C3481 HydrophobicContact CB-CB 3.65Å; C3452-C3481 WeakPolarHBondContact CB-SG 3.22Å; C3452-C3481 PolarHBondContact N-O 3.05Å; C3452-C3481 WeakPolarHBondContact SG-CB 3.28Å; C3452-C3481 PolarHBondContact SG-O 3.19Å; C3452-C3481 CovalentContact SG-SG 2.04Å; C3452-C3481 PolarHBondContact SG-SG 2.96Å; C3452-T3482 PolarHBondContact SG-N 2.91Å; C3452-T3482 PolarHBondContact SG-O 3.12Å; C3452-Q3506 VanDerWaalsContact SG-CD 3.57Å |
| 3453 | D | 82.4 | Confident | 85.6 | Confident | 70.6 Ų | 70.6 | 37.7 Ų | 37.7 | 38% | 0.378 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -100 | 161.4 | 172.6 | 63.5 | 9.7 | 0 | 0 | 0 | 111.1 | P3451 S3455 S3456 | P3451-D3453 WeakPolarHBondContact CB-OD1 3.09Å; P3451-D3453 WeakPolarHBondContact CG-OD1 3.45Å; P3451-D3453 VanDerWaalsContact CG-OD2 3.32Å; P3451-D3453 WeakPolarHBondContact CG-OD2 3.33Å; P3451-D3453 PolarHBondContact O-N 2.99Å; D3453-S3455 VanDerWaalsContact CG-OG 3.29Å; D3453-S3455 PolarHBondContact O-N 3.1Å; D3453-S3455 VanDerWaalsContact O-N 3.09Å; D3453-S3455 PolarHBondContact OD1-N 2.91Å; D3453-S3455 PolarHBondContact OD1-OG 3.03Å; D3453-S3455 PolarHBondContact OD2-OG 2.94Å; D3453-S3456 VanDerWaalsContact O-CB 3.24Å; D3453-S3456 WeakPolarHBondContact O-CB 3.43Å; D3453-S3456 PolarHBondContact O-N 2.97Å; D3453-S3456 PolarHBondContact O-OG 3.03Å; D3453-S3456 WeakPolarHBondContact OD1-CA 3.17Å; D3453-S3456 VanDerWaalsContact OD1-CB 3.31Å; D3453-S3456 WeakPolarHBondContact OD1-CB 3.4Å; D3453-S3456 PolarHBondContact OD1-N 3.05Å |
| 3454 | E | 65.4 | Low | 85.7 | Confident | 186.4 Ų | 186.4 | 39 Ų | 39 | 87% | 0.871 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -28.9 | -178 | -67 | -170.4 | 168.1 | 0 | 0 | 112.6 | S3456 T3457 | E3454-S3456 VanDerWaalsContact C-N 3.31Å; E3454-S3456 PolarHBondContact O-N 3.15Å; E3454-T3457 PolarHBondContact O-N 2.84Å; E3454-T3457 PolarHBondContact O-OG1 3.16Å; E3454-T3457 VanDerWaalsContact O-OG1 3.06Å |
| 3455 | S | 66.9 | Low | 85.7 | Confident | 73 Ų | 73 | 39 Ų | 39 | 51% | 0.51 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -26 | 177.8 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | D3453 T3457 A3458 | D3453-S3455 VanDerWaalsContact CG-OG 3.29Å; D3453-S3455 PolarHBondContact O-N 3.1Å; D3453-S3455 VanDerWaalsContact O-N 3.09Å; D3453-S3455 PolarHBondContact OD1-N 2.91Å; D3453-S3455 PolarHBondContact OD1-OG 3.03Å; D3453-S3455 PolarHBondContact OD2-OG 2.94Å; S3455-T3457 PolarHBondContact O-N 2.85Å; S3455-T3457 VanDerWaalsContact O-N 3.16Å; S3455-A3458 PolarHBondContact O-N 3Å; S3455-A3458 VanDerWaalsContact O-N 3.1Å |
| 3456 | S | 64.4 | Low | 85.7 | Confident | 1.2 Ų | 1.2 | 38.9 Ų | 38.9 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -29.1 | -176.3 | 65.7 | 0 | 0 | 0 | 0 | 114.6 | P3451 D3453 E3454 A3458 I3459 I3483 | P3451-S3456 WeakPolarHBondContact O-CB 3.29Å; P3451-S3456 PolarHBondContact O-OG 2.97Å; D3453-S3456 VanDerWaalsContact O-CB 3.24Å; D3453-S3456 WeakPolarHBondContact O-CB 3.43Å; D3453-S3456 PolarHBondContact O-N 2.97Å; D3453-S3456 PolarHBondContact O-OG 3.03Å; D3453-S3456 WeakPolarHBondContact OD1-CA 3.17Å; D3453-S3456 VanDerWaalsContact OD1-CB 3.31Å; D3453-S3456 WeakPolarHBondContact OD1-CB 3.4Å; D3453-S3456 PolarHBondContact OD1-N 3.05Å; E3454-S3456 VanDerWaalsContact C-N 3.31Å; E3454-S3456 PolarHBondContact O-N 3.15Å; S3456-A3458 VanDerWaalsContact C-N 3.28Å; S3456-A3458 PolarHBondContact O-N 2.91Å; S3456-I3459 VanDerWaalsContact O-CB 3.29Å; S3456-I3459 WeakPolarHBondContact O-CB 3.22Å; S3456-I3459 WeakPolarHBondContact O-CG1 3.46Å; S3456-I3459 PolarHBondContact O-N 3.1Å; S3456-I3459 VanDerWaalsContact O-N 3.11Å; S3456-I3483 WeakPolarHBondContact OG-CG2 3.32Å |
| 3457 | T | 60.2 | Low | 85.7 | Confident | 60 Ų | 60 | 38 Ų | 38 | 37% | 0.368 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -70 | -22.1 | -178.4 | 58.3 | 0 | 0 | 0 | 0 | 113.4 | E3454 S3455 I3459 W3460 N3486 | E3454-T3457 PolarHBondContact O-N 2.84Å; E3454-T3457 PolarHBondContact O-OG1 3.16Å; E3454-T3457 VanDerWaalsContact O-OG1 3.06Å; S3455-T3457 PolarHBondContact O-N 2.85Å; S3455-T3457 VanDerWaalsContact O-N 3.16Å; T3457-I3459 VanDerWaalsContact C-N 3.33Å; T3457-W3460 VanDerWaalsContact O-O 3.09Å; T3457-N3486 PolarHBondContact O-ND2 3.12Å; T3457-N3486 VanDerWaalsContact O-ND2 3.13Å |
| 3458 | A | 64.9 | Low | 85.7 | Confident | 66.4 Ų | 66.4 | 37.9 Ų | 37.9 | 55% | 0.549 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -81.7 | -17.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q3433 S3455 S3456 | Q3433-A3458 PolarHBondContact NE2-O 3.03Å; Q3433-A3458 VanDerWaalsContact NE2-O 3.14Å; S3455-A3458 PolarHBondContact O-N 3Å; S3455-A3458 VanDerWaalsContact O-N 3.1Å; S3456-A3458 VanDerWaalsContact C-N 3.28Å; S3456-A3458 PolarHBondContact O-N 2.91Å |
| 3459 | I | 82 | Confident | 85.9 | Confident | 29.4 Ų | 29.4 | 37.4 Ų | 37.4 | 15% | 0.151 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -75.5 | -41.2 | -177.6 | -54.1 | -177.8 | 0 | 0 | 0 | 110.2 | L3430 L3432 S3456 T3457 | L3430-I3459 WeakPolarHBondContact O-CG2 3.19Å; L3432-I3459 CarbonylContact C-O 3.56Å; L3432-I3459 PolarHBondContact N-O 3.11Å; S3456-I3459 VanDerWaalsContact O-CB 3.29Å; S3456-I3459 WeakPolarHBondContact O-CB 3.22Å; S3456-I3459 WeakPolarHBondContact O-CG1 3.46Å; S3456-I3459 PolarHBondContact O-N 3.1Å; S3456-I3459 VanDerWaalsContact O-N 3.11Å; T3457-I3459 VanDerWaalsContact C-N 3.33Å |
| 3460 | W | 88.6 | Confident | 86.1 | Confident | 4.2 Ų | 4.2 | 37.3 Ų | 37.3 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 118.9 | 178.9 | -76.2 | 39.3 | 0 | 0 | 0 | 110.5 | I3424 L3432 V3445 T3447 N3450 T3457 I3472 I3484 N3486 | I3424-W3460 HydrophobicContact CD1-CZ2 4.19Å; L3432-W3460 HydrophobicContact CB-CD2 4.27Å; L3432-W3460 HydrophobicContact CB-CG 4.2Å; L3432-W3460 HydrophobicContact CD2-CD2 3.85Å; L3432-W3460 HydrophobicContact CD2-CE3 3.97Å; L3432-W3460 HydrophobicContact CD2-CH2 3.71Å; L3432-W3460 HydrophobicContact CD2-CZ2 3.59Å; L3432-W3460 HydrophobicContact CD2-CZ3 3.89Å; L3432-W3460 VanDerWaalsContact O-CA 3.29Å; L3432-W3460 WeakPolarHBondContact O-CA 3.17Å; V3445-W3460 HydrophobicContact CG1-CH2 4.45Å; T3447-W3460 HydrophobicContact CG2-CH2 4Å; T3447-W3460 HydrophobicContact CG2-CZ2 4.47Å; N3450-W3460 PolarHBondContact ND2-NE1 2.95Å; N3450-W3460 VanDerWaalsContact ND2-NE1 3.11Å; N3450-W3460 PolarHBondContact OD1-NE1 3.3Å; T3457-W3460 VanDerWaalsContact O-O 3.09Å; W3460-I3472 HydrophobicContact CZ3-CD1 4.32Å; W3460-I3484 HydrophobicContact CE3-CG2 4.35Å; W3460-I3484 HydrophobicContact CZ3-CG2 4.01Å; W3460-N3486 VanDerWaalsContact O-CB 3.29Å; W3460-N3486 WeakPolarHBondContact O-CB 3.33Å; W3460-N3486 PolarHBondContact O-ND2 3.1Å |
| 3461 | E | 91.1 | Very high | 86.4 | Confident | 59.6 Ų | 59.6 | 37.1 Ų | 37.1 | 28% | 0.279 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 128.6 | -178.8 | -164.4 | -160.8 | 158 | 0 | 0 | 111.7 | L3432 Q3433 R3434 N3463 | L3432-E3461 PolarHBondContact O-N 2.96Å; L3432-E3461 VanDerWaalsContact O-N 3.14Å; Q3433-E3461 CarbonylContact C-O 3.44Å; Q3433-E3461 VanDerWaalsContact CA-O 3.29Å; Q3433-E3461 WeakPolarHBondContact CA-O 3.38Å; Q3433-E3461 HydrophobicContact CB-CB 4.42Å; Q3433-E3461 HydrophobicContact CG-CB 3.96Å; R3434-E3461 PolarHBondContact N-O 2.79Å; R3434-E3461 IonicContact NH2-OE2 3.89Å; E3461-N3463 VanDerWaalsContact C-N 3.27Å; E3461-N3463 PolarHBondContact O-N 3.18Å |
| 3462 | K | 92.1 | Very high | 86.7 | Confident | 125 Ų | 125 | 35.8 Ų | 35.8 | 54% | 0.543 | 20% | 0.197 | S | C | . | . | S | Bend | trans | 54.1 | 38.1 | 168.3 | -68.3 | 164.8 | -178.4 | 149.4 | 0 | 113.9 | R3434 N3486 | R3434-K3462 VanDerWaalsContact CA-O 3.31Å; R3434-K3462 WeakPolarHBondContact CA-O 3.26Å; R3434-K3462 HydrophobicContact CG-CB 4.14Å; R3434-K3462 HydrophobicContact CG-CD 4.37Å; K3462-N3486 PolarHBondContact N-O 3.06Å; K3462-N3486 VanDerWaalsContact N-O 3.1Å |
| 3463 | N | 96.8 | Very high | 87 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.011 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 145.8 | 173.3 | -58.1 | -64.4 | 0 | 0 | 0 | 110 | L3432 R3434 N3435 E3461 N3486 T3487 Q3488 | L3432-N3463 PolarHBondContact O-ND2 2.98Å; L3432-N3463 PolarHBondContact O-OD1 2.91Å; R3434-N3463 PolarHBondContact N-OD1 3Å; N3435-N3463 PolarHBondContact N-OD1 3.14Å; N3435-N3463 VanDerWaalsContact N-OD1 3.15Å; N3435-N3463 PolarHBondContact ND2-OD1 3.15Å; N3435-N3463 CarbonylContact O-C 3.47Å; N3435-N3463 VanDerWaalsContact O-CA 3.31Å; N3435-N3463 WeakPolarHBondContact O-CA 3.3Å; E3461-N3463 VanDerWaalsContact C-N 3.27Å; E3461-N3463 PolarHBondContact O-N 3.18Å; N3463-N3486 PolarHBondContact N-O 2.98Å; N3463-T3487 HydrophobicContact CB-CG2 4.1Å; N3463-T3487 CarbonylContact O-C 3.5Å; N3463-T3487 WeakPolarHBondContact O-CA 3.34Å; N3463-T3487 WeakPolarHBondContact O-CG2 3.4Å; N3463-Q3488 PolarHBondContact O-N 2.94Å |
| 3464 | I | 98.2 | Very high | 87.7 | Confident | 26.2 Ų | 26.2 | 30.6 Ų | 30.6 | 13% | 0.134 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.6 | 179.6 | -57.8 | 172.3 | 0 | 0 | 0 | 107.7 | L3265 N3435 S3436 I3437 Q3488 Y3490 | L3265-I3464 HydrophobicContact CB-CD1 4.43Å; L3265-I3464 HydrophobicContact CD2-CG2 4.35Å; N3435-I3464 PolarHBondContact O-N 3.21Å; S3436-I3464 CarbonylContact C-O 3.53Å; S3436-I3464 WeakPolarHBondContact CA-O 3.41Å; I3437-I3464 PolarHBondContact N-O 3.17Å; I3464-Q3488 CarbonylContact C-O 3.56Å; I3464-Q3488 WeakPolarHBondContact CA-O 3.36Å; I3464-Q3488 HydrophobicContact CG1-CB 4.37Å; I3464-Y3490 HydrophobicContact CG2-CD1 4.49Å; I3464-Y3490 HydrophobicContact CG2-CE1 3.92Å |
| 3465 | V | 98.5 | Very high | 89 | Confident | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 122.6 | -176.4 | 176.5 | 0 | 0 | 0 | 0 | 109.3 | I3437 C3444 V3445 T3487 Q3488 I3489 Y3490 | I3437-V3465 HydrophobicContact CD1-CG2 4.17Å; I3437-V3465 CarbonylContact O-C 3.52Å; I3437-V3465 WeakPolarHBondContact O-CA 3.41Å; C3444-V3465 HydrophobicContact CB-CG1 3.4Å; C3444-V3465 VanDerWaalsContact CB-CG1 3.42Å; C3444-V3465 VanDerWaalsContact SG-CG1 3.57Å; C3444-V3465 WeakPolarHBondContact SG-CG1 3.27Å; V3445-V3465 HydrophobicContact CG2-CG2 4.07Å; V3465-T3487 HydrophobicContact CB-CG2 4.45Å; V3465-T3487 HydrophobicContact CG2-CG2 3.9Å; V3465-Q3488 PolarHBondContact N-O 3.04Å; V3465-I3489 HydrophobicContact CB-CG1 4.26Å; V3465-I3489 HydrophobicContact CB-CG2 4.45Å; V3465-I3489 HydrophobicContact CG1-CG2 4.39Å; V3465-I3489 WeakPolarHBondContact O-CA 3.34Å; V3465-Y3490 PolarHBondContact O-N 3.08Å; V3465-Y3490 VanDerWaalsContact O-N 3.1Å |
| 3466 | H | 98 | Very high | 90 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 171.4 | 177.8 | 60.4 | 101.8 | 0 | 0 | 0 | 114.3 | T3218 E3268 I3437 A3438 G3439 C3444 C3468 Y3490 | T3218-H3466 PolarHBondContact O-CE1 3.04Å; T3218-H3466 PolarHBondContact O-ND1 3.05Å; E3268-H3466 IonicContact OE1-NE2 3.03Å; E3268-H3466 PolarHBondContact OE1-NE2 2.95Å; E3268-H3466 IonicContact OE2-CE1 3.27Å; E3268-H3466 IonicContact OE2-NE2 3.25Å; E3268-H3466 PolarHBondContact OE2-NE2 3.26Å; I3437-H3466 PolarHBondContact O-N 3.23Å; A3438-H3466 VanDerWaalsContact CA-CE1 3.46Å; A3438-H3466 WeakPolarHBondContact CA-CE1 3.33Å; A3438-H3466 WeakPolarHBondContact CA-NE2 3.19Å; A3438-H3466 WeakPolarHBondContact CB-CE1 3.42Å; A3438-H3466 VanDerWaalsContact CB-NE2 3.26Å; A3438-H3466 WeakPolarHBondContact CB-NE2 3.39Å; G3439-H3466 PolarHBondContact N-O 3Å; C3444-H3466 PolarHBondContact SG-O 3.18Å; C3444-H3466 VanDerWaalsContact SG-O 3.37Å; H3466-C3468 VanDerWaalsContact C-N 3.33Å; H3466-C3468 PolarHBondContact O-N 3.12Å; H3466-Y3490 WeakPolarHBondContact CA-O 3.37Å; H3466-Y3490 HydrophobicContact CB-CD1 3.61Å; H3466-Y3490 HydrophobicContact CB-CD2 3.87Å; H3466-Y3490 HydrophobicContact CB-CE1 3.49Å; H3466-Y3490 VanDerWaalsContact CB-CE1 3.47Å; H3466-Y3490 HydrophobicContact CB-CE2 3.76Å; H3466-Y3490 HydrophobicContact CB-CG 3.8Å; H3466-Y3490 WeakPolarHBondContact CB-O 3.37Å; H3466-Y3490 AromaticContact CD2-CE1 3.24Å; H3466-Y3490 WeakPolarHBondContact CD2-CE1 3.17Å; H3466-Y3490 AromaticContact CD2-CZ 3.36Å; H3466-Y3490 PolarHBondContact CD2-OH 3.02Å; H3466-Y3490 VanDerWaalsContact CD2-OH 3.29Å; H3466-Y3490 AromaticContact CE1-CZ 3.7Å; H3466-Y3490 PolarHBondContact CE1-OH 3Å; H3466-Y3490 AromaticContact CG-CE1 3.38Å; H3466-Y3490 VanDerWaalsContact CG-CE1 3.45Å; H3466-Y3490 AromaticContact CG-CE2 3.75Å; H3466-Y3490 AromaticContact CG-CZ 3.2Å; H3466-Y3490 VanDerWaalsContact CG-OH 3.29Å; H3466-Y3490 AromaticContact ND1-CE2 3.85Å; H3466-Y3490 AromaticContact ND1-CZ 3.47Å; H3466-Y3490 PolarHBondContact ND1-OH 3.08Å; H3466-Y3490 AromaticContact NE2-CE1 3.89Å; H3466-Y3490 AromaticContact NE2-CZ 3.64Å; H3466-Y3490 PolarHBondContact NE2-OH 2.99Å |
| 3467 | S | 97.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 63 | 41.8 | 171.8 | -53.4 | 0 | 0 | 0 | 0 | 112.7 | T3218 S3220 Y3223 G3439 A3440 S3491 | T3218-S3467 VanDerWaalsContact CG2-CB 3.47Å; T3218-S3467 WeakPolarHBondContact CG2-OG 3.38Å; S3220-S3467 WeakPolarHBondContact O-CA 3.43Å; S3220-S3467 WeakPolarHBondContact O-CB 3.24Å; S3220-S3467 PolarHBondContact O-OG 3.07Å; Y3223-S3467 WeakPolarHBondContact CB-O 3.23Å; G3439-S3467 VanDerWaalsContact CA-O 3.3Å; G3439-S3467 WeakPolarHBondContact CA-O 3.33Å; A3440-S3467 PolarHBondContact N-O 3.02Å; A3440-S3467 VanDerWaalsContact N-O 3.16Å; S3467-S3491 WeakPolarHBondContact CA-O 3.36Å; S3467-S3491 PolarHBondContact N-O 3.13Å |
| 3468 | C | 96.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.014 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 163.4 | -180 | -33 | 0 | 0 | 0 | 0 | 111.6 | A3440 C3444 H3466 I3470 V3492 S3493 | A3440-C3468 HydrophobicContact CB-CB 4Å; A3440-C3468 WeakPolarHBondContact CB-SG 3.23Å; A3440-C3468 PolarHBondContact N-SG 2.77Å; A3440-C3468 VanDerWaalsContact O-CA 3.3Å; A3440-C3468 WeakPolarHBondContact O-CA 3.4Å; A3440-C3468 WeakPolarHBondContact O-CB 3.31Å; C3444-C3468 VanDerWaalsContact CA-SG 3.52Å; C3444-C3468 WeakPolarHBondContact CA-SG 3.42Å; C3444-C3468 HydrophobicContact CB-CB 3.98Å; C3444-C3468 WeakPolarHBondContact CB-SG 3.39Å; C3444-C3468 WeakPolarHBondContact SG-CB 3.24Å; C3444-C3468 CovalentContact SG-SG 2.03Å; C3444-C3468 PolarHBondContact SG-SG 2.86Å; H3466-C3468 VanDerWaalsContact C-N 3.33Å; H3466-C3468 PolarHBondContact O-N 3.12Å; C3468-I3470 WeakPolarHBondContact CB-O 3.31Å; C3468-I3470 PolarHBondContact SG-O 2.91Å; C3468-I3470 VanDerWaalsContact SG-O 3.39Å; C3468-V3492 WeakPolarHBondContact O-CA 3.43Å; C3468-V3492 WeakPolarHBondContact O-CG1 3.33Å; C3468-S3493 PolarHBondContact O-N 2.74Å; C3468-S3493 VanDerWaalsContact O-N 3.09Å |
| 3469 | L | 95 | Very high | 93.9 | Very high | 4.2 Ų | 4.2 | 29.1 Ų | 29.1 | 2% | 0.022 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | -47 | 168.8 | -61.9 | -176.4 | 0 | 0 | 0 | 110.1 | E3441 R3442 V3492 S3493 Q3494 F3495 P3558 I3563 A3566 | E3441-L3469 VanDerWaalsContact O-CD1 3.27Å; E3441-L3469 WeakPolarHBondContact O-CD1 3.2Å; E3441-L3469 VanDerWaalsContact O-CG 3.29Å; E3441-L3469 WeakPolarHBondContact O-CG 3.3Å; R3442-L3469 HydrophobicContact CG-CD1 4.5Å; R3442-L3469 WeakPolarHBondContact O-CB 3.3Å; R3442-L3469 PolarHBondContact O-N 3Å; R3442-L3469 VanDerWaalsContact O-N 3.08Å; L3469-V3492 VanDerWaalsContact O-CG1 3.25Å; L3469-V3492 WeakPolarHBondContact O-CG1 3.36Å; L3469-S3493 WeakPolarHBondContact CA-OG 3.46Å; L3469-S3493 WeakPolarHBondContact CD2-OG 3.28Å; L3469-Q3494 HydrophobicContact CB-CG 4.05Å; L3469-Q3494 HydrophobicContact CD2-CG 4.33Å; L3469-Q3494 WeakPolarHBondContact O-CA 3.25Å; L3469-Q3494 WeakPolarHBondContact O-CB 3.23Å; L3469-Q3494 PolarHBondContact O-N 3.17Å; L3469-F3495 PolarHBondContact O-N 2.99Å; L3469-F3495 VanDerWaalsContact O-N 3.14Å; L3469-P3558 HydrophobicContact CD2-CB 4.06Å; L3469-P3558 HydrophobicContact CD2-CG 4.49Å; L3469-I3563 HydrophobicContact CD2-CD1 3.56Å; L3469-I3563 HydrophobicContact CD2-CG1 4.4Å; L3469-A3566 HydrophobicContact CD1-CB 3.43Å |
| 3470 | I | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 122.5 | 178.6 | -55.4 | -172.3 | 0 | 0 | 0 | 108.8 | R3442 L3443 C3444 C3468 M3473 Q3494 F3495 L3569 L3600 | R3442-I3470 PolarHBondContact O-N 2.82Å; R3442-I3470 VanDerWaalsContact O-N 3.1Å; L3443-I3470 CarbonylContact C-O 3.38Å; L3443-I3470 WeakPolarHBondContact CA-O 3.25Å; L3443-I3470 HydrophobicContact CD2-CB 3.66Å; L3443-I3470 HydrophobicContact CD2-CD1 3.77Å; L3443-I3470 HydrophobicContact CD2-CG1 3.89Å; L3443-I3470 HydrophobicContact CD2-CG2 4.04Å; L3443-I3470 HydrophobicContact CG-CB 4.2Å; C3444-I3470 PolarHBondContact N-O 3.07Å; C3468-I3470 WeakPolarHBondContact CB-O 3.31Å; C3468-I3470 PolarHBondContact SG-O 2.91Å; C3468-I3470 VanDerWaalsContact SG-O 3.39Å; I3470-M3473 HydrophobicContact CD1-CE 3.39Å; I3470-M3473 VanDerWaalsContact CD1-CE 3.42Å; I3470-M3473 HydrophobicContact CG2-CB 4.11Å; I3470-M3473 HydrophobicContact CG2-CE 4.29Å; I3470-Q3494 HydrophobicContact CG1-CB 4.48Å; I3470-F3495 CarbonylContact C-O 3.54Å; I3470-F3495 VanDerWaalsContact CA-O 3.3Å; I3470-F3495 WeakPolarHBondContact CA-O 3.38Å; I3470-F3495 HydrophobicContact CB-CB 4.47Å; I3470-F3495 HydrophobicContact CD1-CD2 3.72Å; I3470-F3495 HydrophobicContact CD1-CE2 4.33Å; I3470-F3495 HydrophobicContact CG1-CB 4.25Å; I3470-F3495 HydrophobicContact CG1-CD2 3.89Å; I3470-F3495 HydrophobicContact CG2-CB 4.07Å; I3470-L3569 HydrophobicContact CD1-CB 4.38Å; I3470-L3600 HydrophobicContact CD1-CD1 4.09Å |
| 3471 | G | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | -68.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | C3444 V3445 F3495 P3496 | C3444-G3471 VanDerWaalsContact CB-O 3.26Å; C3444-G3471 WeakPolarHBondContact CB-O 3.34Å; V3445-G3471 PolarHBondContact N-O 2.96Å; G3471-F3495 PolarHBondContact N-O 3.07Å; G3471-P3496 CarbonylContact C-O 3.39Å; G3471-P3496 WeakPolarHBondContact CA-O 3.31Å |
| 3472 | I | 98.1 | Very high | 94.8 | Very high | 0.6 Ų | 0.6 | 35.6 Ų | 35.6 | 0% | 0.003 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129 | 178.7 | -52.9 | 174 | 0 | 0 | 0 | 110.1 | V3445 T3447 W3460 I3484 T3487 I3489 P3496 V3497 Y3498 | V3445-I3472 HydrophobicContact CB-CG1 4.19Å; V3445-I3472 HydrophobicContact CB-CG2 4.39Å; V3445-I3472 HydrophobicContact CG1-CG2 4.47Å; V3445-I3472 HydrophobicContact CG2-CG1 4.49Å; V3445-I3472 CarbonylContact O-C 3.46Å; V3445-I3472 WeakPolarHBondContact O-CA 3.24Å; T3447-I3472 HydrophobicContact CG2-CG2 3.69Å; W3460-I3472 HydrophobicContact CZ3-CD1 4.32Å; I3472-I3484 HydrophobicContact CD1-CG2 3.91Å; I3472-I3484 HydrophobicContact CG2-CD1 3.78Å; I3472-T3487 HydrophobicContact CD1-CG2 4.12Å; I3472-I3489 HydrophobicContact CD1-CD1 3.77Å; I3472-I3489 HydrophobicContact CG1-CD1 4.12Å; I3472-P3496 PolarHBondContact N-O 3.02Å; I3472-V3497 HydrophobicContact CB-CG1 4.13Å; I3472-V3497 HydrophobicContact CB-CG2 4.47Å; I3472-V3497 HydrophobicContact CD1-CG2 4.48Å; I3472-V3497 HydrophobicContact CG2-CG1 4.42Å; I3472-V3497 CarbonylContact O-C 3.44Å; I3472-V3497 WeakPolarHBondContact O-CA 3.29Å; I3472-Y3498 PolarHBondContact O-N 3.08Å |
| 3473 | M | 97 | Very high | 94.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 136.9 | 174.7 | -179.4 | 170.3 | -77.2 | 0 | 0 | 111.3 | F3418 L3443 V3445 Y3446 T3447 I3470 L3475 Y3498 L3600 | F3418-M3473 HydrophobicContact CD1-CE 3.92Å; F3418-M3473 HydrophobicContact CD1-SD 3.48Å; F3418-M3473 VanDerWaalsContact CD1-SD 3.5Å; F3418-M3473 WeakPolarHBondContact CD1-SD 3.26Å; F3418-M3473 HydrophobicContact CD2-SD 4.42Å; F3418-M3473 HydrophobicContact CE1-CE 3.72Å; F3418-M3473 HydrophobicContact CE1-SD 3.74Å; F3418-M3473 HydrophobicContact CE2-SD 4.46Å; F3418-M3473 HydrophobicContact CG-SD 4.21Å; F3418-M3473 HydrophobicContact CZ-CE 4.31Å; F3418-M3473 HydrophobicContact CZ-SD 4.25Å; L3443-M3473 HydrophobicContact CD1-CB 4.31Å; L3443-M3473 HydrophobicContact CD1-SD 4Å; L3443-M3473 HydrophobicContact CD2-CB 3.47Å; L3443-M3473 VanDerWaalsContact CD2-CB 3.47Å; L3443-M3473 HydrophobicContact CD2-CE 3.79Å; L3443-M3473 HydrophobicContact CD2-CG 4.03Å; L3443-M3473 HydrophobicContact CD2-SD 4.05Å; L3443-M3473 WeakPolarHBondContact CD2-SD 3.24Å; V3445-M3473 PolarHBondContact O-N 2.95Å; Y3446-M3473 HydrophobicContact CD2-CB 4.27Å; Y3446-M3473 HydrophobicContact CD2-CG 4.19Å; Y3446-M3473 VanDerWaalsContact CD2-O 3.31Å; Y3446-M3473 WeakPolarHBondContact CD2-O 3.41Å; Y3446-M3473 HydrophobicContact CE2-CG 4.21Å; T3447-M3473 PolarHBondContact N-O 2.73Å; I3470-M3473 HydrophobicContact CD1-CE 3.39Å; I3470-M3473 VanDerWaalsContact CD1-CE 3.42Å; I3470-M3473 HydrophobicContact CG2-CB 4.11Å; I3470-M3473 HydrophobicContact CG2-CE 4.29Å; M3473-L3475 HydrophobicContact CG-CD2 3.89Å; M3473-L3475 HydrophobicContact CG-CG 3.88Å; M3473-L3475 HydrophobicContact SD-CD1 3.91Å; M3473-L3475 HydrophobicContact SD-CD2 4.02Å; M3473-L3475 HydrophobicContact SD-CG 3.87Å; M3473-Y3498 WeakPolarHBondContact CA-O 3.35Å; M3473-Y3498 HydrophobicContact CE-CD1 4.08Å; M3473-Y3498 HydrophobicContact CE-CE1 4.44Å; M3473-Y3498 HydrophobicContact CE-CG 4.46Å; M3473-Y3498 HydrophobicContact CG-CD1 4.19Å; M3473-L3600 HydrophobicContact CE-CD1 4.26Å; M3473-L3600 HydrophobicContact CE-CD2 4.32Å |
| 3474 | Q | 96 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 102.7 | 173.6 | -173.8 | 179.6 | 13.8 | 0 | 0 | 111.1 | T3447 Q3448 T3482 Y3498 W3499 R3500 T3501 | T3447-Q3474 WeakPolarHBondContact O-CA 3.29Å; T3447-Q3474 WeakPolarHBondContact O-CG 3.35Å; Q3448-Q3474 PolarHBondContact O-NE2 2.92Å; Q3474-T3482 VanDerWaalsContact NE2-CG2 3.32Å; Q3474-T3482 PolarHBondContact NE2-OG1 3.15Å; Q3474-T3482 PolarHBondContact OE1-OG1 2.86Å; Q3474-Y3498 PolarHBondContact N-O 3.18Å; Q3474-W3499 VanDerWaalsContact OE1-NE1 3.12Å; Q3474-R3500 PolarHBondContact O-N 3.2Å; Q3474-T3501 HydrophobicContact CB-CG2 4.45Å; Q3474-T3501 HydrophobicContact CG-CG2 3.79Å; Q3474-T3501 WeakPolarHBondContact O-CG2 3.41Å |
| 3475 | L | 93.4 | Very high | 94.6 | Very high | 15.6 Ų | 15.6 | 28.7 Ų | 28.7 | 8% | 0.082 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -103.1 | -19.6 | 178.6 | -53.4 | -170.8 | 0 | 0 | 0 | 113.7 | F3418 Y3446 M3473 Y3498 R3500 P3595 | F3418-L3475 HydrophobicContact CD2-CD1 3.87Å; F3418-L3475 HydrophobicContact CE2-CD1 3.47Å; F3418-L3475 VanDerWaalsContact CE2-CD1 3.47Å; F3418-L3475 HydrophobicContact CZ-CD1 4.32Å; Y3446-L3475 HydrophobicContact CE2-CB 4.19Å; Y3446-L3475 HydrophobicContact CE2-CG 4.03Å; Y3446-L3475 WeakPolarHBondContact OH-CB 3.29Å; Y3446-L3475 WeakPolarHBondContact OH-CD1 3.3Å; Y3446-L3475 WeakPolarHBondContact OH-CG 3.32Å; M3473-L3475 HydrophobicContact CG-CD2 3.89Å; M3473-L3475 HydrophobicContact CG-CG 3.88Å; M3473-L3475 HydrophobicContact SD-CD1 3.91Å; M3473-L3475 HydrophobicContact SD-CD2 4.02Å; M3473-L3475 HydrophobicContact SD-CG 3.87Å; L3475-Y3498 HydrophobicContact CD2-CD1 3.8Å; L3475-Y3498 HydrophobicContact CD2-CE1 3.44Å; L3475-Y3498 VanDerWaalsContact CD2-CE1 3.44Å; L3475-R3500 CarbonylContact C-O 3.37Å; L3475-R3500 WeakPolarHBondContact CA-O 3.38Å; L3475-R3500 HydrophobicContact CD2-CB 4.06Å; L3475-R3500 VanDerWaalsContact O-O 3.05Å; L3475-P3595 HydrophobicContact CB-CG 4.48Å; L3475-P3595 HydrophobicContact CD1-CB 4.03Å; L3475-P3595 HydrophobicContact CD1-CG 4.11Å; L3475-P3595 HydrophobicContact CD2-CB 3.93Å; L3475-P3595 HydrophobicContact CD2-CG 4.08Å; L3475-P3595 HydrophobicContact CG-CG 4.4Å |
| 3476 | K | 87 | Confident | 94.4 | Very high | 154.4 Ų | 154.4 | 30.1 Ų | 30.1 | 67% | 0.671 | 14% | 0.141 | S | C | * | . | trans | -141 | 145.2 | -178.2 | -67.3 | -173.4 | -179.9 | 179.6 | 0 | 109.6 | Q3448 | Q3448-K3476 VanDerWaalsContact CA-O 3.28Å; Q3448-K3476 WeakPolarHBondContact CA-O 3.4Å; Q3448-K3476 WeakPolarHBondContact CB-O 3.24Å | ||
| 3477 | T | 91.1 | Very high | 94.3 | Very high | 31.8 Ų | 31.8 | 30.1 Ų | 30.1 | 20% | 0.195 | 14% | 0.141 | C | C | . | . | trans | -156.3 | 146.3 | 174.3 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | Q3448 Y3479 T3482 T3501 S3503 | Q3448-T3477 VanDerWaalsContact O-CB 3.27Å; Q3448-T3477 WeakPolarHBondContact O-CB 3.36Å; Q3448-T3477 PolarHBondContact O-OG1 3.35Å; T3477-Y3479 VanDerWaalsContact C-N 3.34Å; T3477-Y3479 WeakPolarHBondContact OG1-CD2 3.32Å; T3477-Y3479 PolarHBondContact OG1-N 3.04Å; T3477-T3482 HydrophobicContact CG2-CG2 4.42Å; T3477-T3501 HydrophobicContact CG2-CG2 4.21Å; T3477-S3503 WeakPolarHBondContact CG2-OG 3.38Å | ||
| 3478 | Q | 89.6 | Confident | 94.3 | Very high | 123.6 Ų | 123.6 | 31.6 Ų | 31.6 | 58% | 0.578 | 15% | 0.148 | S | C | * | . | S | Bend | trans | -85.3 | -10.1 | 174.8 | 65 | -175.9 | -9.7 | 0 | 0 | 113.1 | ||
| 3479 | Y | 91.1 | Very high | 94.4 | Very high | 31.2 Ų | 31.2 | 31.5 Ų | 31.5 | 12% | 0.122 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -91.6 | 142.6 | -173 | -46.5 | -61 | 0 | 0 | 0 | 111.8 | Q3448 G3449 P3451 T3477 C3481 S3503 | Q3448-Y3479 HydrophobicContact CG-CE2 4.48Å; G3449-Y3479 WeakPolarHBondContact O-CE2 3.31Å; P3451-Y3479 HydrophobicContact CB-CD1 3.81Å; P3451-Y3479 HydrophobicContact CB-CE1 4.13Å; P3451-Y3479 HydrophobicContact CB-CG 4.07Å; P3451-Y3479 HydrophobicContact CG-CD1 4.37Å; P3451-Y3479 HydrophobicContact CG-CE1 4.18Å; T3477-Y3479 VanDerWaalsContact C-N 3.34Å; T3477-Y3479 WeakPolarHBondContact OG1-CD2 3.32Å; T3477-Y3479 PolarHBondContact OG1-N 3.04Å; Y3479-C3481 VanDerWaalsContact C-N 3.25Å; Y3479-C3481 WeakPolarHBondContact CB-O 3.25Å; Y3479-C3481 PolarHBondContact O-N 3.05Å; Y3479-S3503 VanDerWaalsContact O-CB 3.28Å; Y3479-S3503 WeakPolarHBondContact O-CB 3.38Å; Y3479-S3503 PolarHBondContact O-OG 3Å |
| 3480 | K | 92.7 | Very high | 94.6 | Very high | 199.4 Ų | 199.4 | 31.3 Ų | 31.3 | 87% | 0.867 | 15% | 0.147 | S | C | * | . | S | Bend | trans | -66 | -28.2 | 172.7 | -68.2 | -177.1 | 179.6 | 178.5 | 0 | 113 | S3503 A3504 | K3480-S3503 WeakPolarHBondContact O-CA 3.38Å; K3480-S3503 WeakPolarHBondContact O-CB 3.31Å; K3480-A3504 PolarHBondContact O-N 3.12Å |
| 3481 | C | 94.7 | Very high | 94.6 | Very high | 29.8 Ų | 29.8 | 31.3 Ų | 31.3 | 20% | 0.201 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 133.4 | 171.9 | -177.7 | 0 | 0 | 0 | 0 | 107.8 | C3452 Y3479 A3504 | C3452-C3481 HydrophobicContact CB-CB 3.65Å; C3452-C3481 WeakPolarHBondContact CB-SG 3.22Å; C3452-C3481 PolarHBondContact N-O 3.05Å; C3452-C3481 WeakPolarHBondContact SG-CB 3.28Å; C3452-C3481 PolarHBondContact SG-O 3.19Å; C3452-C3481 CovalentContact SG-SG 2.04Å; C3452-C3481 PolarHBondContact SG-SG 2.96Å; Y3479-C3481 VanDerWaalsContact C-N 3.25Å; Y3479-C3481 WeakPolarHBondContact CB-O 3.25Å; Y3479-C3481 PolarHBondContact O-N 3.05Å; C3481-A3504 CarbonylContact C-O 3.53Å; C3481-A3504 WeakPolarHBondContact CA-O 3.15Å; C3481-A3504 HydrophobicContact CB-CB 4.14Å |
| 3482 | T | 94.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 142.9 | 179 | -174.1 | 0 | 0 | 0 | 0 | 112.3 | N3450 C3452 Q3474 T3477 A3504 I3505 Q3506 | N3450-T3482 CarbonylContact O-C 3.46Å; N3450-T3482 VanDerWaalsContact O-CA 3.23Å; N3450-T3482 WeakPolarHBondContact O-CA 3.25Å; N3450-T3482 PolarHBondContact O-OG1 2.99Å; N3450-T3482 VanDerWaalsContact O-OG1 3.11Å; C3452-T3482 PolarHBondContact SG-N 2.91Å; C3452-T3482 PolarHBondContact SG-O 3.12Å; Q3474-T3482 VanDerWaalsContact NE2-CG2 3.32Å; Q3474-T3482 PolarHBondContact NE2-OG1 3.15Å; Q3474-T3482 PolarHBondContact OE1-OG1 2.86Å; T3477-T3482 HydrophobicContact CG2-CG2 4.42Å; T3482-A3504 PolarHBondContact N-O 2.93Å; T3482-I3505 HydrophobicContact CG2-CG1 4.42Å; T3482-I3505 CarbonylContact O-C 3.59Å; T3482-Q3506 PolarHBondContact O-N 3.05Å |
| 3483 | I | 94.3 | Very high | 94.4 | Very high | 7.6 Ų | 7.6 | 31.4 Ų | 31.4 | 4% | 0.039 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 139.3 | 177.5 | -169.3 | 168.2 | 0 | 0 | 0 | 112.4 | N3450 P3451 S3456 Q3506 N3508 | N3450-I3483 HydrophobicContact CB-CG2 3.91Å; N3450-I3483 PolarHBondContact N-O 3.01Å; N3450-I3483 VanDerWaalsContact N-O 3.15Å; N3450-I3483 PolarHBondContact O-N 3.04Å; P3451-I3483 VanDerWaalsContact O-CG2 3.29Å; P3451-I3483 WeakPolarHBondContact O-CG2 3.28Å; S3456-I3483 WeakPolarHBondContact OG-CG2 3.32Å; I3483-Q3506 VanDerWaalsContact CA-O 3.29Å; I3483-Q3506 WeakPolarHBondContact CA-O 3.27Å; I3483-Q3506 HydrophobicContact CB-CB 3.99Å; I3483-Q3506 HydrophobicContact CD1-CB 4.1Å; I3483-Q3506 HydrophobicContact CG1-CB 3.81Å; I3483-N3508 HydrophobicContact CD1-CB 4.1Å |
| 3484 | I | 94.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.5 | 164.3 | -60.5 | 179.7 | 0 | 0 | 0 | 107.5 | T3447 W3460 I3472 V3497 W3499 Q3506 A3507 N3508 L3510 | T3447-I3484 HydrophobicContact CG2-CD1 4.39Å; W3460-I3484 HydrophobicContact CE3-CG2 4.35Å; W3460-I3484 HydrophobicContact CZ3-CG2 4.01Å; I3472-I3484 HydrophobicContact CD1-CG2 3.91Å; I3472-I3484 HydrophobicContact CG2-CD1 3.78Å; I3484-V3497 HydrophobicContact CD1-CG1 3.85Å; I3484-W3499 HydrophobicContact CB-CZ2 4.22Å; I3484-W3499 HydrophobicContact CD1-CZ2 3.87Å; I3484-W3499 VanDerWaalsContact CD1-NE1 3.33Å; I3484-W3499 HydrophobicContact CG1-CZ2 4.3Å; I3484-Q3506 PolarHBondContact N-O 2.85Å; I3484-A3507 WeakPolarHBondContact O-CA 3.26Å; I3484-N3508 PolarHBondContact O-N 3.21Å; I3484-N3508 VanDerWaalsContact O-N 3.11Å; I3484-L3510 HydrophobicContact CG2-CD2 4.21Å |
| 3485 | S | 93.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 164.6 | -173.6 | 62.2 | 0 | 0 | 0 | 0 | 114.7 | T3487 N3508 | S3485-T3487 VanDerWaalsContact C-N 3.31Å; S3485-T3487 PolarHBondContact O-N 3.21Å; S3485-T3487 VanDerWaalsContact O-N 3.16Å; S3485-T3487 PolarHBondContact O-OG1 3.1Å; S3485-N3508 CarbonylContact C-O 3.5Å; S3485-N3508 WeakPolarHBondContact CA-O 3.28Å; S3485-N3508 VanDerWaalsContact CB-O 3.24Å; S3485-N3508 WeakPolarHBondContact CB-O 3.23Å |
| 3486 | N | 94.5 | Very high | 94.4 | Very high | 31 Ų | 31 | 31.6 Ų | 31.6 | 17% | 0.166 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.2 | 41.3 | 168.4 | -57.4 | -40.4 | 0 | 0 | 0 | 114.5 | T3457 W3460 K3462 N3463 N3508 N3509 | T3457-N3486 PolarHBondContact O-ND2 3.12Å; T3457-N3486 VanDerWaalsContact O-ND2 3.13Å; W3460-N3486 VanDerWaalsContact O-CB 3.29Å; W3460-N3486 WeakPolarHBondContact O-CB 3.33Å; W3460-N3486 PolarHBondContact O-ND2 3.1Å; K3462-N3486 PolarHBondContact N-O 3.06Å; K3462-N3486 VanDerWaalsContact N-O 3.1Å; N3463-N3486 PolarHBondContact N-O 2.98Å; N3486-N3508 PolarHBondContact N-O 2.95Å; N3486-N3508 VanDerWaalsContact N-O 3.11Å; N3486-N3509 VanDerWaalsContact CA-O 3.3Å; N3486-N3509 WeakPolarHBondContact CA-O 3.39Å; N3486-N3509 PolarHBondContact N-O 2.92Å; N3486-N3509 WeakPolarHBondContact OD1-CB 3.41Å; N3486-N3509 PolarHBondContact OD1-ND2 3.13Å |
| 3487 | T | 96.3 | Very high | 95 | Very high | 1.4 Ų | 1.4 | 24.2 Ų | 24.2 | 1% | 0.009 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 133.8 | -177.1 | -54.9 | 0 | 0 | 0 | 0 | 110.7 | N3463 V3465 I3472 S3485 I3489 N3509 L3510 Q3511 | N3463-T3487 HydrophobicContact CB-CG2 4.1Å; N3463-T3487 CarbonylContact O-C 3.5Å; N3463-T3487 WeakPolarHBondContact O-CA 3.34Å; N3463-T3487 WeakPolarHBondContact O-CG2 3.4Å; V3465-T3487 HydrophobicContact CB-CG2 4.45Å; V3465-T3487 HydrophobicContact CG2-CG2 3.9Å; I3472-T3487 HydrophobicContact CD1-CG2 4.12Å; S3485-T3487 VanDerWaalsContact C-N 3.31Å; S3485-T3487 PolarHBondContact O-N 3.21Å; S3485-T3487 VanDerWaalsContact O-N 3.16Å; S3485-T3487 PolarHBondContact O-OG1 3.1Å; T3487-I3489 HydrophobicContact CG2-CD1 4.35Å; T3487-I3489 HydrophobicContact CG2-CG1 3.89Å; T3487-N3509 PolarHBondContact N-O 3.21Å; T3487-L3510 WeakPolarHBondContact O-CA 3.28Å; T3487-Q3511 PolarHBondContact O-N 3.07Å; T3487-Q3511 VanDerWaalsContact O-N 3.09Å |
| 3488 | Q | 97.6 | Very high | 95.2 | Very high | 31 Ų | 31 | 22.7 Ų | 22.7 | 15% | 0.145 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 125.5 | 173.5 | -65.2 | 176.5 | -46.1 | 0 | 0 | 108.4 | F3263 L3265 N3463 I3464 V3465 Q3511 | F3263-Q3488 HydrophobicContact CD2-CG 4.41Å; F3263-Q3488 HydrophobicContact CE2-CB 3.98Å; F3263-Q3488 HydrophobicContact CE2-CG 4.2Å; L3265-Q3488 HydrophobicContact CD2-CB 4.29Å; N3463-Q3488 PolarHBondContact O-N 2.94Å; I3464-Q3488 CarbonylContact C-O 3.56Å; I3464-Q3488 WeakPolarHBondContact CA-O 3.36Å; I3464-Q3488 HydrophobicContact CG1-CB 4.37Å; V3465-Q3488 PolarHBondContact N-O 3.04Å; Q3488-Q3511 CarbonylContact C-O 3.47Å; Q3488-Q3511 WeakPolarHBondContact CA-O 3.44Å; Q3488-Q3511 HydrophobicContact CG-CB 4.11Å; Q3488-Q3511 HydrophobicContact CG-CG 4.35Å |
| 3489 | I | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 122.4 | -175.8 | -47.1 | -178.2 | 0 | 0 | 0 | 109.8 | V3465 I3472 T3487 V3492 P3496 V3497 Q3511 L3512 V3513 N3515 | V3465-I3489 HydrophobicContact CB-CG1 4.26Å; V3465-I3489 HydrophobicContact CB-CG2 4.45Å; V3465-I3489 HydrophobicContact CG1-CG2 4.39Å; V3465-I3489 WeakPolarHBondContact O-CA 3.34Å; I3472-I3489 HydrophobicContact CD1-CD1 3.77Å; I3472-I3489 HydrophobicContact CG1-CD1 4.12Å; T3487-I3489 HydrophobicContact CG2-CD1 4.35Å; T3487-I3489 HydrophobicContact CG2-CG1 3.89Å; I3489-V3492 HydrophobicContact CG2-CB 4.48Å; I3489-V3492 HydrophobicContact CG2-CG2 3.57Å; I3489-P3496 WeakPolarHBondContact CD1-O 3.25Å; I3489-P3496 HydrophobicContact CG2-CB 4.02Å; I3489-V3497 HydrophobicContact CD1-CG2 3.52Å; I3489-V3497 VanDerWaalsContact CD1-CG2 3.49Å; I3489-Q3511 PolarHBondContact N-O 2.78Å; I3489-L3512 HydrophobicContact CB-CD2 3.71Å; I3489-L3512 HydrophobicContact CD1-CD2 3.83Å; I3489-L3512 HydrophobicContact CG1-CD2 3.94Å; I3489-L3512 VanDerWaalsContact O-CA 3.31Å; I3489-L3512 WeakPolarHBondContact O-CA 3.42Å; I3489-V3513 PolarHBondContact O-N 3.2Å; I3489-N3515 PolarHBondContact O-ND2 3.12Å; I3489-N3515 VanDerWaalsContact O-ND2 3.13Å |
| 3490 | Y | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 161.6 | 179.2 | 71.6 | -83.1 | 0 | 0 | 0 | 114.1 | Y3254 F3263 L3265 I3464 V3465 H3466 V3492 V3513 N3515 | Y3254-Y3490 AromaticContact CE2-CD2 3.75Å; Y3254-Y3490 HydrophobicContact CE2-CD2 3.88Å; Y3254-Y3490 AromaticContact CE2-CE2 3.81Å; Y3254-Y3490 HydrophobicContact CE2-CE2 3.89Å; Y3254-Y3490 HydrophobicContact CE2-CG 4.32Å; F3263-Y3490 AromaticContact CZ-CD1 3.97Å; F3263-Y3490 HydrophobicContact CZ-CD1 4.09Å; F3263-Y3490 HydrophobicContact CZ-CG 4.28Å; L3265-Y3490 HydrophobicContact CD1-CD1 4.16Å; L3265-Y3490 HydrophobicContact CD1-CE1 3.48Å; L3265-Y3490 VanDerWaalsContact CD1-CE1 3.41Å; L3265-Y3490 HydrophobicContact CD1-CE2 4.44Å; L3265-Y3490 HydrophobicContact CD2-CD1 4.03Å; L3265-Y3490 HydrophobicContact CD2-CD2 4.31Å; L3265-Y3490 HydrophobicContact CD2-CE1 3.91Å; L3265-Y3490 HydrophobicContact CD2-CE2 4.18Å; L3265-Y3490 HydrophobicContact CD2-CG 4.17Å; L3265-Y3490 HydrophobicContact CG-CE1 4.4Å; I3464-Y3490 HydrophobicContact CG2-CD1 4.49Å; I3464-Y3490 HydrophobicContact CG2-CE1 3.92Å; V3465-Y3490 PolarHBondContact O-N 3.08Å; V3465-Y3490 VanDerWaalsContact O-N 3.1Å; H3466-Y3490 WeakPolarHBondContact CA-O 3.37Å; H3466-Y3490 HydrophobicContact CB-CD1 3.61Å; H3466-Y3490 HydrophobicContact CB-CD2 3.87Å; H3466-Y3490 HydrophobicContact CB-CE1 3.49Å; H3466-Y3490 VanDerWaalsContact CB-CE1 3.47Å; H3466-Y3490 HydrophobicContact CB-CE2 3.76Å; H3466-Y3490 HydrophobicContact CB-CG 3.8Å; H3466-Y3490 WeakPolarHBondContact CB-O 3.37Å; H3466-Y3490 AromaticContact CD2-CE1 3.24Å; H3466-Y3490 WeakPolarHBondContact CD2-CE1 3.17Å; H3466-Y3490 AromaticContact CD2-CZ 3.36Å; H3466-Y3490 PolarHBondContact CD2-OH 3.02Å; H3466-Y3490 VanDerWaalsContact CD2-OH 3.29Å; H3466-Y3490 AromaticContact CE1-CZ 3.7Å; H3466-Y3490 PolarHBondContact CE1-OH 3Å; H3466-Y3490 AromaticContact CG-CE1 3.38Å; H3466-Y3490 VanDerWaalsContact CG-CE1 3.45Å; H3466-Y3490 AromaticContact CG-CE2 3.75Å; H3466-Y3490 AromaticContact CG-CZ 3.2Å; H3466-Y3490 VanDerWaalsContact CG-OH 3.29Å; H3466-Y3490 AromaticContact ND1-CE2 3.85Å; H3466-Y3490 AromaticContact ND1-CZ 3.47Å; H3466-Y3490 PolarHBondContact ND1-OH 3.08Å; H3466-Y3490 AromaticContact NE2-CE1 3.89Å; H3466-Y3490 AromaticContact NE2-CZ 3.64Å; H3466-Y3490 PolarHBondContact NE2-OH 2.99Å; Y3490-V3492 PolarHBondContact O-N 3.21Å; Y3490-V3492 VanDerWaalsContact O-N 3.09Å; Y3490-V3513 WeakPolarHBondContact CA-O 3.43Å; Y3490-V3513 WeakPolarHBondContact CB-O 3.3Å; Y3490-N3515 WeakPolarHBondContact CA-OD1 3.32Å |
| 3491 | S | 96.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 3% | 0.033 | C | C | . | . | S | Bend | trans | 50.1 | 38.3 | 178.2 | -57.8 | 0 | 0 | 0 | 0 | 113.5 | T3219 M3221 S3467 V3513 D3514 N3515 Q3552 | T3219-S3491 WeakPolarHBondContact O-CB 3.16Å; T3219-S3491 PolarHBondContact O-OG 3.22Å; M3221-S3491 WeakPolarHBondContact CG-O 3.4Å; S3467-S3491 WeakPolarHBondContact CA-O 3.36Å; S3467-S3491 PolarHBondContact N-O 3.13Å; S3491-V3513 PolarHBondContact N-O 2.86Å; S3491-D3514 VanDerWaalsContact CA-O 3.31Å; S3491-D3514 WeakPolarHBondContact CA-O 3.26Å; S3491-D3514 PolarHBondContact N-O 3.23Å; S3491-N3515 PolarHBondContact N-OD1 2.87Å; S3491-Q3552 VanDerWaalsContact OG-CD 3.23Å; S3491-Q3552 VanDerWaalsContact OG-CG 3.29Å; S3491-Q3552 WeakPolarHBondContact OG-CG 3.46Å; S3491-Q3552 PolarHBondContact OG-NE2 3.04Å; S3491-Q3552 VanDerWaalsContact OG-NE2 3.14Å |
| 3492 | V | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.042 | C | C | . | . | trans | -95.6 | 132.7 | 172.5 | 176.6 | 0 | 0 | 0 | 0 | 109.6 | C3468 L3469 I3489 Y3490 F3495 P3496 N3515 A3516 | C3468-V3492 WeakPolarHBondContact O-CA 3.43Å; C3468-V3492 WeakPolarHBondContact O-CG1 3.33Å; L3469-V3492 VanDerWaalsContact O-CG1 3.25Å; L3469-V3492 WeakPolarHBondContact O-CG1 3.36Å; I3489-V3492 HydrophobicContact CG2-CB 4.48Å; I3489-V3492 HydrophobicContact CG2-CG2 3.57Å; Y3490-V3492 PolarHBondContact O-N 3.21Å; Y3490-V3492 VanDerWaalsContact O-N 3.09Å; V3492-F3495 WeakPolarHBondContact CG1-O 3.24Å; V3492-P3496 HydrophobicContact CB-CG 4.46Å; V3492-N3515 VanDerWaalsContact CB-OD1 3.3Å; V3492-N3515 WeakPolarHBondContact CB-OD1 3.18Å; V3492-N3515 PolarHBondContact N-OD1 3.15Å; V3492-N3515 CarbonylContact O-C 3.45Å; V3492-N3515 WeakPolarHBondContact O-CA 3.24Å; V3492-A3516 PolarHBondContact O-N 3Å | ||
| 3493 | S | 94.7 | Very high | 95.7 | Very high | 3.2 Ų | 3.2 | 7.3 Ų | 7.3 | 2% | 0.022 | 4% | 0.044 | C | C | . | . | S | Bend | trans | -89.7 | -28.5 | -169 | 66.2 | 0 | 0 | 0 | 0 | 115.6 | C3468 L3469 G3517 | C3468-S3493 PolarHBondContact O-N 2.74Å; C3468-S3493 VanDerWaalsContact O-N 3.09Å; L3469-S3493 WeakPolarHBondContact CA-OG 3.46Å; L3469-S3493 WeakPolarHBondContact CD2-OG 3.28Å; S3493-G3517 PolarHBondContact O-N 2.84Å |
| 3494 | Q | 94 | Very high | 95.8 | Very high | 17.4 Ų | 17.4 | 7.6 Ų | 7.6 | 8% | 0.081 | 5% | 0.048 | C | C | . | . | S | Bend | trans | -117 | -54.6 | -174.8 | -51.3 | -56.2 | -48.6 | 0 | 0 | 113.6 | L3469 I3470 G3517 L3570 | L3469-Q3494 HydrophobicContact CB-CG 4.05Å; L3469-Q3494 HydrophobicContact CD2-CG 4.33Å; L3469-Q3494 WeakPolarHBondContact O-CA 3.25Å; L3469-Q3494 WeakPolarHBondContact O-CB 3.23Å; L3469-Q3494 PolarHBondContact O-N 3.17Å; I3470-Q3494 HydrophobicContact CG1-CB 4.48Å; Q3494-G3517 VanDerWaalsContact O-CA 3.3Å; Q3494-G3517 WeakPolarHBondContact O-CA 3.25Å; Q3494-L3570 HydrophobicContact CG-CD2 4.44Å; Q3494-L3570 VanDerWaalsContact OE1-CA 3.31Å |
| 3495 | F | 96.3 | Very high | 96 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 104.7 | -177 | -62.1 | -83.2 | 0 | 0 | 0 | 110.4 | L3469 I3470 G3471 V3492 V3497 Y3498 Y3520 L3569 P3572 L3600 L3601 | L3469-F3495 PolarHBondContact O-N 2.99Å; L3469-F3495 VanDerWaalsContact O-N 3.14Å; I3470-F3495 CarbonylContact C-O 3.54Å; I3470-F3495 VanDerWaalsContact CA-O 3.3Å; I3470-F3495 WeakPolarHBondContact CA-O 3.38Å; I3470-F3495 HydrophobicContact CB-CB 4.47Å; I3470-F3495 HydrophobicContact CD1-CD2 3.72Å; I3470-F3495 HydrophobicContact CD1-CE2 4.33Å; I3470-F3495 HydrophobicContact CG1-CB 4.25Å; I3470-F3495 HydrophobicContact CG1-CD2 3.89Å; I3470-F3495 HydrophobicContact CG2-CB 4.07Å; G3471-F3495 PolarHBondContact N-O 3.07Å; V3492-F3495 WeakPolarHBondContact CG1-O 3.24Å; F3495-V3497 PolarHBondContact O-N 3Å; F3495-Y3498 AromaticContact CD1-CD2 3.69Å; F3495-Y3498 HydrophobicContact CD1-CD2 3.69Å; F3495-Y3498 HydrophobicContact CD1-CE2 4.48Å; F3495-Y3498 HydrophobicContact CD1-CG 4.45Å; F3495-Y3498 HydrophobicContact CD2-CD2 4.39Å; F3495-Y3498 AromaticContact CE1-CD2 3.58Å; F3495-Y3498 HydrophobicContact CE1-CD2 3.58Å; F3495-Y3498 AromaticContact CE1-CE2 3.96Å; F3495-Y3498 HydrophobicContact CE1-CE2 4Å; F3495-Y3498 HydrophobicContact CE2-CD2 4.32Å; F3495-Y3498 HydrophobicContact CG-CD2 4.07Å; F3495-Y3498 AromaticContact CZ-CD2 3.89Å; F3495-Y3498 HydrophobicContact CZ-CD2 3.89Å; F3495-Y3498 HydrophobicContact CZ-CE2 4.06Å; F3495-Y3520 HydrophobicContact CD1-CG 4.49Å; F3495-Y3520 HydrophobicContact CE1-CD2 4.24Å; F3495-Y3520 AromaticContact CE1-CG 3.97Å; F3495-Y3520 HydrophobicContact CE1-CG 4.02Å; F3495-L3569 WeakPolarHBondContact CE2-O 3.33Å; F3495-P3572 HydrophobicContact CE1-CG 4.23Å; F3495-L3600 HydrophobicContact CD2-CD1 4.43Å; F3495-L3600 HydrophobicContact CE2-CD1 3.8Å; F3495-L3600 HydrophobicContact CZ-CB 4.41Å; F3495-L3600 HydrophobicContact CZ-CD1 4.4Å; F3495-L3601 HydrophobicContact CE1-CD2 4.07Å; F3495-L3601 HydrophobicContact CZ-CD2 3.87Å; F3495-L3601 HydrophobicContact CZ-CG 4.36Å |
| 3496 | P | 97.5 | Very high | 96.1 | Very high | 1.6 Ų | 1.6 | 10.3 Ų | 10.3 | 1% | 0.01 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | -43.3 | 172.6 | -18.6 | 25.3 | 0 | 0 | 0 | 111 | G3471 I3472 I3489 V3492 L3512 N3515 G3517 I3519 | G3471-P3496 CarbonylContact C-O 3.39Å; G3471-P3496 WeakPolarHBondContact CA-O 3.31Å; I3472-P3496 PolarHBondContact N-O 3.02Å; I3489-P3496 WeakPolarHBondContact CD1-O 3.25Å; I3489-P3496 HydrophobicContact CG2-CB 4.02Å; V3492-P3496 HydrophobicContact CB-CG 4.46Å; P3496-L3512 HydrophobicContact CB-CD1 4.4Å; P3496-L3512 HydrophobicContact CB-CD2 4.17Å; P3496-N3515 HydrophobicContact CB-CB 4.22Å; P3496-N3515 HydrophobicContact CG-CB 3.6Å; P3496-N3515 VanDerWaalsContact CG-CB 3.48Å; P3496-G3517 WeakPolarHBondContact CD-O 3.25Å; P3496-G3517 VanDerWaalsContact CG-O 3.23Å; P3496-G3517 WeakPolarHBondContact CG-O 3.37Å; P3496-I3519 HydrophobicContact CB-CG2 4.15Å; P3496-I3519 HydrophobicContact CG-CG2 3.76Å |
| 3497 | V | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 128.4 | 170.2 | -166.4 | 0 | 0 | 0 | 0 | 110.6 | I3472 I3484 I3489 F3495 W3499 L3510 I3519 Y3520 | I3472-V3497 HydrophobicContact CB-CG1 4.13Å; I3472-V3497 HydrophobicContact CB-CG2 4.47Å; I3472-V3497 HydrophobicContact CD1-CG2 4.48Å; I3472-V3497 HydrophobicContact CG2-CG1 4.42Å; I3472-V3497 CarbonylContact O-C 3.44Å; I3472-V3497 WeakPolarHBondContact O-CA 3.29Å; I3484-V3497 HydrophobicContact CD1-CG1 3.85Å; I3489-V3497 HydrophobicContact CD1-CG2 3.52Å; I3489-V3497 VanDerWaalsContact CD1-CG2 3.49Å; F3495-V3497 PolarHBondContact O-N 3Å; V3497-W3499 HydrophobicContact CB-CE3 4.23Å; V3497-W3499 HydrophobicContact CB-CH2 3.56Å; V3497-W3499 HydrophobicContact CB-CZ2 4.13Å; V3497-W3499 HydrophobicContact CB-CZ3 3.62Å; V3497-W3499 HydrophobicContact CG1-CD2 3.82Å; V3497-W3499 HydrophobicContact CG1-CE3 3.76Å; V3497-W3499 HydrophobicContact CG1-CH2 3.23Å; V3497-W3499 HydrophobicContact CG1-CZ2 3.27Å; V3497-W3499 HydrophobicContact CG1-CZ3 3.49Å; V3497-W3499 VanDerWaalsContact CG1-CZ3 3.49Å; V3497-W3499 HydrophobicContact CG2-CH2 4.17Å; V3497-L3510 HydrophobicContact CG2-CD1 4.18Å; V3497-I3519 HydrophobicContact CB-CG2 3.98Å; V3497-I3519 HydrophobicContact CG2-CG2 4.17Å; V3497-I3519 VanDerWaalsContact O-CA 3.31Å; V3497-I3519 WeakPolarHBondContact O-CA 3.29Å; V3497-Y3520 PolarHBondContact O-N 3.11Å |
| 3498 | Y | 97.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 118.2 | 177.7 | -177.8 | -91 | 0 | 0 | 0 | 110.4 | I3472 M3473 Q3474 L3475 F3495 R3500 Y3520 L3600 | I3472-Y3498 PolarHBondContact O-N 3.08Å; M3473-Y3498 WeakPolarHBondContact CA-O 3.35Å; M3473-Y3498 HydrophobicContact CE-CD1 4.08Å; M3473-Y3498 HydrophobicContact CE-CE1 4.44Å; M3473-Y3498 HydrophobicContact CE-CG 4.46Å; M3473-Y3498 HydrophobicContact CG-CD1 4.19Å; Q3474-Y3498 PolarHBondContact N-O 3.18Å; L3475-Y3498 HydrophobicContact CD2-CD1 3.8Å; L3475-Y3498 HydrophobicContact CD2-CE1 3.44Å; L3475-Y3498 VanDerWaalsContact CD2-CE1 3.44Å; F3495-Y3498 AromaticContact CD1-CD2 3.69Å; F3495-Y3498 HydrophobicContact CD1-CD2 3.69Å; F3495-Y3498 HydrophobicContact CD1-CE2 4.48Å; F3495-Y3498 HydrophobicContact CD1-CG 4.45Å; F3495-Y3498 HydrophobicContact CD2-CD2 4.39Å; F3495-Y3498 AromaticContact CE1-CD2 3.58Å; F3495-Y3498 HydrophobicContact CE1-CD2 3.58Å; F3495-Y3498 AromaticContact CE1-CE2 3.96Å; F3495-Y3498 HydrophobicContact CE1-CE2 4Å; F3495-Y3498 HydrophobicContact CE2-CD2 4.32Å; F3495-Y3498 HydrophobicContact CG-CD2 4.07Å; F3495-Y3498 AromaticContact CZ-CD2 3.89Å; F3495-Y3498 HydrophobicContact CZ-CD2 3.89Å; F3495-Y3498 HydrophobicContact CZ-CE2 4.06Å; Y3498-R3500 HydrophobicContact CE1-CB 3.64Å; Y3498-R3500 WeakPolarHBondContact OH-CD 3.26Å; Y3498-R3500 PolarHBondContact OH-NH1 3.05Å; Y3498-Y3520 AromaticContact CD2-CD1 3.97Å; Y3498-Y3520 HydrophobicContact CD2-CD1 4Å; Y3498-Y3520 HydrophobicContact CD2-CG 4.22Å; Y3498-Y3520 AromaticContact CE2-CD1 3.59Å; Y3498-Y3520 HydrophobicContact CE2-CD1 3.59Å; Y3498-Y3520 HydrophobicContact CE2-CE1 4.24Å; Y3498-Y3520 HydrophobicContact CE2-CG 4.18Å; Y3498-L3600 HydrophobicContact CE1-CD2 4.02Å; Y3498-L3600 HydrophobicContact CE2-CB 4.07Å; Y3498-L3600 WeakPolarHBondContact OH-CA 3.32Å; Y3498-L3600 PolarHBondContact OH-O 3.32Å |
| 3499 | W | 96.5 | Very high | 96 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 135.4 | 171.5 | -64.9 | -91 | 0 | 0 | 0 | 109.9 | Q3474 I3484 V3497 I3505 A3507 L3510 I3519 Y3520 P3521 F3522 F3538 | Q3474-W3499 VanDerWaalsContact OE1-NE1 3.12Å; I3484-W3499 HydrophobicContact CB-CZ2 4.22Å; I3484-W3499 HydrophobicContact CD1-CZ2 3.87Å; I3484-W3499 VanDerWaalsContact CD1-NE1 3.33Å; I3484-W3499 HydrophobicContact CG1-CZ2 4.3Å; V3497-W3499 HydrophobicContact CB-CE3 4.23Å; V3497-W3499 HydrophobicContact CB-CH2 3.56Å; V3497-W3499 HydrophobicContact CB-CZ2 4.13Å; V3497-W3499 HydrophobicContact CB-CZ3 3.62Å; V3497-W3499 HydrophobicContact CG1-CD2 3.82Å; V3497-W3499 HydrophobicContact CG1-CE3 3.76Å; V3497-W3499 HydrophobicContact CG1-CH2 3.23Å; V3497-W3499 HydrophobicContact CG1-CZ2 3.27Å; V3497-W3499 HydrophobicContact CG1-CZ3 3.49Å; V3497-W3499 VanDerWaalsContact CG1-CZ3 3.49Å; V3497-W3499 HydrophobicContact CG2-CH2 4.17Å; W3499-I3505 HydrophobicContact CB-CD1 3.56Å; W3499-I3505 HydrophobicContact CB-CG1 4.34Å; W3499-I3505 HydrophobicContact CD2-CG2 3.77Å; W3499-I3505 HydrophobicContact CE3-CG2 4.42Å; W3499-I3505 HydrophobicContact CG-CD1 3.94Å; W3499-I3505 HydrophobicContact CG-CG1 4.29Å; W3499-I3505 HydrophobicContact CG-CG2 3.84Å; W3499-I3505 HydrophobicContact CZ2-CG2 4.18Å; W3499-A3507 HydrophobicContact CH2-CB 3.94Å; W3499-A3507 HydrophobicContact CZ2-CB 4.11Å; W3499-L3510 HydrophobicContact CH2-CD1 4.45Å; W3499-I3519 HydrophobicContact CZ3-CB 4.13Å; W3499-I3519 HydrophobicContact CZ3-CD1 4.45Å; W3499-Y3520 PolarHBondContact N-O 3.1Å; W3499-P3521 HydrophobicContact CE3-CB 4.21Å; W3499-F3522 WeakPolarHBondContact O-CA 3.39Å; W3499-F3522 WeakPolarHBondContact O-CB 3.35Å; W3499-F3522 PolarHBondContact O-N 3.03Å; W3499-F3538 HydrophobicContact CH2-CE2 4.5Å; W3499-F3538 HydrophobicContact CZ3-CE2 4.4Å |
| 3500 | R | 94 | Very high | 96 | Very high | 4.4 Ų | 4.4 | 11 Ų | 11 | 2% | 0.017 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 85.2 | 164.3 | -170.4 | 148.3 | 178.3 | -175.3 | 5 | 109.7 | Q3474 L3475 Y3498 F3522 T3592 P3595 E3599 L3600 N3602 | Q3474-R3500 PolarHBondContact O-N 3.2Å; L3475-R3500 CarbonylContact C-O 3.37Å; L3475-R3500 WeakPolarHBondContact CA-O 3.38Å; L3475-R3500 HydrophobicContact CD2-CB 4.06Å; L3475-R3500 VanDerWaalsContact O-O 3.05Å; Y3498-R3500 HydrophobicContact CE1-CB 3.64Å; Y3498-R3500 WeakPolarHBondContact OH-CD 3.26Å; Y3498-R3500 PolarHBondContact OH-NH1 3.05Å; R3500-F3522 WeakPolarHBondContact CA-O 3.32Å; R3500-F3522 HydrophobicContact CB-CB 4.34Å; R3500-F3522 HydrophobicContact CG-CB 4.29Å; R3500-F3522 HydrophobicContact CG-CD1 3.71Å; R3500-F3522 HydrophobicContact CG-CE1 4.19Å; R3500-F3522 HydrophobicContact CG-CG 4Å; R3500-T3592 VanDerWaalsContact CZ-O 3.3Å; R3500-T3592 PolarHBondContact NE-O 3.32Å; R3500-T3592 PolarHBondContact NH2-O 3.2Å; R3500-P3595 HydrophobicContact CB-CG 4.48Å; R3500-P3595 HydrophobicContact CG-CB 4.47Å; R3500-P3595 HydrophobicContact CG-CG 4.17Å; R3500-E3599 PolarHBondContact NH1-O 3.15Å; R3500-L3600 PolarHBondContact NH1-O 3.13Å; R3500-L3600 VanDerWaalsContact NH1-O 3.13Å; R3500-N3602 PolarHBondContact NH2-O 2.92Å; R3500-N3602 VanDerWaalsContact NH2-O 3.12Å |
| 3501 | T | 93.8 | Very high | 96 | Very high | 1.8 Ų | 1.8 | 12 Ų | 12 | 1% | 0.011 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 169.1 | -168.6 | 75.1 | 0 | 0 | 0 | 0 | 112 | Q3474 T3477 S3503 F3522 T3523 G3524 T3592 | Q3474-T3501 HydrophobicContact CB-CG2 4.45Å; Q3474-T3501 HydrophobicContact CG-CG2 3.79Å; Q3474-T3501 WeakPolarHBondContact O-CG2 3.41Å; T3477-T3501 HydrophobicContact CG2-CG2 4.21Å; T3501-S3503 VanDerWaalsContact C-N 3.26Å; T3501-S3503 PolarHBondContact O-N 2.93Å; T3501-S3503 PolarHBondContact OG1-N 2.89Å; T3501-S3503 VanDerWaalsContact OG1-N 3.12Å; T3501-F3522 PolarHBondContact N-O 3.18Å; T3501-T3523 CarbonylContact O-C 3.54Å; T3501-T3523 VanDerWaalsContact O-CA 3.26Å; T3501-T3523 WeakPolarHBondContact O-CA 3.25Å; T3501-G3524 PolarHBondContact O-N 3.1Å; T3501-T3592 VanDerWaalsContact C-CG2 3.44Å; T3501-T3592 WeakPolarHBondContact O-CG2 3.27Å |
| 3502 | A | 93.5 | Very high | 96.1 | Very high | 46.6 Ų | 46.6 | 12.2 Ų | 12.2 | 39% | 0.385 | 7% | 0.071 | S | C | . | . | S | Bend | trans | -88.4 | 13.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | G3524 F3525 K3536 T3592 | A3502-G3524 WeakPolarHBondContact CA-O 3.25Å; A3502-F3525 HydrophobicContact CB-CD2 3.76Å; A3502-F3525 HydrophobicContact CB-CE2 4.3Å; A3502-K3536 VanDerWaalsContact O-CE 3.29Å; A3502-K3536 WeakPolarHBondContact O-CE 3.32Å; A3502-K3536 PolarHBondContact O-NZ 3.11Å; A3502-T3592 HydrophobicContact CB-CG2 4.4Å |
| 3503 | S | 95.1 | Very high | 96.1 | Very high | 6.4 Ų | 6.4 | 12.2 Ų | 12.2 | 5% | 0.045 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -115.5 | 158.2 | -165.8 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | T3477 Y3479 K3480 T3501 T3523 | T3477-S3503 WeakPolarHBondContact CG2-OG 3.38Å; Y3479-S3503 VanDerWaalsContact O-CB 3.28Å; Y3479-S3503 WeakPolarHBondContact O-CB 3.38Å; Y3479-S3503 PolarHBondContact O-OG 3Å; K3480-S3503 WeakPolarHBondContact O-CA 3.38Å; K3480-S3503 WeakPolarHBondContact O-CB 3.31Å; T3501-S3503 VanDerWaalsContact C-N 3.26Å; T3501-S3503 PolarHBondContact O-N 2.93Å; T3501-S3503 PolarHBondContact OG1-N 2.89Å; T3501-S3503 VanDerWaalsContact OG1-N 3.12Å; S3503-T3523 WeakPolarHBondContact O-CB 3.31Å; S3503-T3523 PolarHBondContact O-OG1 2.98Å |
| 3504 | A | 96.5 | Very high | 96.1 | Very high | 15 Ų | 15 | 12 Ų | 12 | 12% | 0.124 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 144.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | K3480 C3481 T3482 | K3480-A3504 PolarHBondContact O-N 3.12Å; C3481-A3504 CarbonylContact C-O 3.53Å; C3481-A3504 WeakPolarHBondContact CA-O 3.15Å; C3481-A3504 HydrophobicContact CB-CB 4.14Å; T3482-A3504 PolarHBondContact N-O 2.93Å |
| 3505 | I | 97.6 | Very high | 96.2 | Very high | 2.4 Ų | 2.4 | 11.6 Ų | 11.6 | 1% | 0.012 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 133.8 | -172.3 | -62.6 | 162.1 | 0 | 0 | 0 | 109.1 | T3482 W3499 P3521 T3537 F3538 L3539 | T3482-I3505 HydrophobicContact CG2-CG1 4.42Å; T3482-I3505 CarbonylContact O-C 3.59Å; W3499-I3505 HydrophobicContact CB-CD1 3.56Å; W3499-I3505 HydrophobicContact CB-CG1 4.34Å; W3499-I3505 HydrophobicContact CD2-CG2 3.77Å; W3499-I3505 HydrophobicContact CE3-CG2 4.42Å; W3499-I3505 HydrophobicContact CG-CD1 3.94Å; W3499-I3505 HydrophobicContact CG-CG1 4.29Å; W3499-I3505 HydrophobicContact CG-CG2 3.84Å; W3499-I3505 HydrophobicContact CZ2-CG2 4.18Å; I3505-P3521 HydrophobicContact CD1-CB 4.32Å; I3505-T3537 PolarHBondContact N-O 2.94Å; I3505-F3538 HydrophobicContact CB-CD2 3.97Å; I3505-F3538 HydrophobicContact CG2-CD2 3.68Å; I3505-F3538 HydrophobicContact CG2-CE2 3.95Å; I3505-F3538 CarbonylContact O-C 3.55Å; I3505-F3538 WeakPolarHBondContact O-CA 3.31Å; I3505-L3539 PolarHBondContact O-N 3.01Å |
| 3506 | Q | 96.2 | Very high | 96.1 | Very high | 53.8 Ų | 53.8 | 12.3 Ų | 12.3 | 25% | 0.251 | 8% | 0.075 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 140.3 | 169.6 | -58.3 | -168.6 | 10.3 | 0 | 0 | 110.9 | C3452 T3482 I3483 I3484 L3539 | C3452-Q3506 VanDerWaalsContact SG-CD 3.57Å; T3482-Q3506 PolarHBondContact O-N 3.05Å; I3483-Q3506 VanDerWaalsContact CA-O 3.29Å; I3483-Q3506 WeakPolarHBondContact CA-O 3.27Å; I3483-Q3506 HydrophobicContact CB-CB 3.99Å; I3483-Q3506 HydrophobicContact CD1-CB 4.1Å; I3483-Q3506 HydrophobicContact CG1-CB 3.81Å; I3484-Q3506 PolarHBondContact N-O 2.85Å; Q3506-L3539 CarbonylContact C-O 3.35Å; Q3506-L3539 VanDerWaalsContact CA-O 3.31Å; Q3506-L3539 WeakPolarHBondContact CA-O 3.35Å; Q3506-L3539 HydrophobicContact CB-CB 4.49Å; Q3506-L3539 HydrophobicContact CG-CB 4.06Å; Q3506-L3539 HydrophobicContact CG-CD1 4.04Å; Q3506-L3539 HydrophobicContact CG-CG 4.22Å |
| 3507 | A | 96.2 | Very high | 95.9 | Very high | 1.4 Ų | 1.4 | 12.3 Ų | 12.3 | 1% | 0.012 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 127.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | I3484 W3499 L3510 F3538 L3539 F3540 N3541 | I3484-A3507 WeakPolarHBondContact O-CA 3.26Å; W3499-A3507 HydrophobicContact CH2-CB 3.94Å; W3499-A3507 HydrophobicContact CZ2-CB 4.11Å; A3507-L3510 HydrophobicContact CB-CD1 3.78Å; A3507-L3510 HydrophobicContact CB-CG 4.38Å; A3507-F3538 HydrophobicContact CB-CE2 4.42Å; A3507-L3539 PolarHBondContact N-O 3.01Å; A3507-F3540 HydrophobicContact CB-CD2 3.5Å; A3507-F3540 VanDerWaalsContact CB-CD2 3.49Å; A3507-F3540 HydrophobicContact CB-CE2 4Å; A3507-F3540 HydrophobicContact CB-CG 4.38Å; A3507-F3540 CarbonylContact O-C 3.53Å; A3507-F3540 WeakPolarHBondContact O-CA 3.32Å; A3507-N3541 PolarHBondContact O-N 2.94Å |
| 3508 | N | 94.9 | Very high | 95.7 | Very high | 33.4 Ų | 33.4 | 12.3 Ų | 12.3 | 18% | 0.179 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 131.9 | -175.3 | -177.1 | 69.9 | 0 | 0 | 0 | 112.1 | I3483 I3484 S3485 N3486 L3510 N3541 | I3483-N3508 HydrophobicContact CD1-CB 4.1Å; I3484-N3508 PolarHBondContact O-N 3.21Å; I3484-N3508 VanDerWaalsContact O-N 3.11Å; S3485-N3508 CarbonylContact C-O 3.5Å; S3485-N3508 WeakPolarHBondContact CA-O 3.28Å; S3485-N3508 VanDerWaalsContact CB-O 3.24Å; S3485-N3508 WeakPolarHBondContact CB-O 3.23Å; N3486-N3508 PolarHBondContact N-O 2.95Å; N3486-N3508 VanDerWaalsContact N-O 3.11Å; N3508-L3510 VanDerWaalsContact C-N 3.27Å; N3508-L3510 PolarHBondContact O-N 3.08Å; N3508-N3541 WeakPolarHBondContact CA-O 3.26Å; N3508-N3541 PolarHBondContact OD1-ND2 3.15Å |
| 3509 | N | 95 | Very high | 95.7 | Very high | 44.4 Ų | 44.4 | 12.3 Ų | 12.3 | 24% | 0.237 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.5 | 44.8 | 179.8 | -167.1 | 35.6 | 0 | 0 | 0 | 113.1 | N3486 T3487 N3541 N3542 S3543 | N3486-N3509 VanDerWaalsContact CA-O 3.3Å; N3486-N3509 WeakPolarHBondContact CA-O 3.39Å; N3486-N3509 PolarHBondContact N-O 2.92Å; N3486-N3509 WeakPolarHBondContact OD1-CB 3.41Å; N3486-N3509 PolarHBondContact OD1-ND2 3.13Å; T3487-N3509 PolarHBondContact N-O 3.21Å; N3509-N3541 PolarHBondContact N-O 3.12Å; N3509-N3541 VanDerWaalsContact N-O 3.1Å; N3509-N3542 VanDerWaalsContact CA-O 3.24Å; N3509-N3542 WeakPolarHBondContact CA-O 3.33Å; N3509-N3542 PolarHBondContact N-O 3.1Å; N3509-S3543 PolarHBondContact N-OG 2.87Å |
| 3510 | L | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 142.4 | 168 | -55.5 | -171.9 | 0 | 0 | 0 | 109.4 | I3484 T3487 V3497 W3499 A3507 N3508 L3512 F3540 S3543 L3544 | I3484-L3510 HydrophobicContact CG2-CD2 4.21Å; T3487-L3510 WeakPolarHBondContact O-CA 3.28Å; V3497-L3510 HydrophobicContact CG2-CD1 4.18Å; W3499-L3510 HydrophobicContact CH2-CD1 4.45Å; A3507-L3510 HydrophobicContact CB-CD1 3.78Å; A3507-L3510 HydrophobicContact CB-CG 4.38Å; N3508-L3510 VanDerWaalsContact C-N 3.27Å; N3508-L3510 PolarHBondContact O-N 3.08Å; L3510-L3512 HydrophobicContact CB-CD2 4.26Å; L3510-L3512 HydrophobicContact CB-CG 4.4Å; L3510-F3540 HydrophobicContact CB-CE2 4.23Å; L3510-F3540 HydrophobicContact CD1-CE2 4.33Å; L3510-F3540 HydrophobicContact CG-CE2 4.42Å; L3510-S3543 PolarHBondContact N-OG 3.02Å; L3510-S3543 CarbonylContact O-C 3.55Å; L3510-S3543 VanDerWaalsContact O-CA 3.24Å; L3510-S3543 WeakPolarHBondContact O-CA 3.39Å; L3510-S3543 WeakPolarHBondContact O-CB 3.42Å; L3510-S3543 PolarHBondContact O-OG 3.04Å; L3510-L3544 PolarHBondContact O-N 2.93Å |
| 3511 | Q | 98 | Very high | 95.9 | Very high | 20 Ų | 20 | 12.3 Ų | 12.3 | 9% | 0.093 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 107.3 | 173.7 | -56.2 | 179 | 12.4 | 0 | 0 | 108.1 | K3262 F3263 T3487 Q3488 I3489 L3544 | K3262-Q3511 PolarHBondContact O-OE1 3.14Å; F3263-Q3511 HydrophobicContact CD2-CB 3.86Å; F3263-Q3511 VanDerWaalsContact CD2-OE1 3.25Å; F3263-Q3511 HydrophobicContact CE2-CB 3.96Å; T3487-Q3511 PolarHBondContact O-N 3.07Å; T3487-Q3511 VanDerWaalsContact O-N 3.09Å; Q3488-Q3511 CarbonylContact C-O 3.47Å; Q3488-Q3511 WeakPolarHBondContact CA-O 3.44Å; Q3488-Q3511 HydrophobicContact CG-CB 4.11Å; Q3488-Q3511 HydrophobicContact CG-CG 4.35Å; I3489-Q3511 PolarHBondContact N-O 2.78Å; Q3511-L3544 HydrophobicContact CB-CB 4.21Å; Q3511-L3544 HydrophobicContact CB-CD2 4.32Å; Q3511-L3544 HydrophobicContact CG-CB 4.13Å; Q3511-L3544 HydrophobicContact CG-CD2 4.48Å |
| 3512 | L | 98.1 | Very high | 95.9 | Very high | 4 Ų | 4 | 12.5 Ų | 12.5 | 2% | 0.021 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 111.1 | -174.5 | -50 | -177.7 | 0 | 0 | 0 | 108.5 | I3489 P3496 L3510 I3519 F3540 L3544 L3545 V3546 | I3489-L3512 HydrophobicContact CB-CD2 3.71Å; I3489-L3512 HydrophobicContact CD1-CD2 3.83Å; I3489-L3512 HydrophobicContact CG1-CD2 3.94Å; I3489-L3512 VanDerWaalsContact O-CA 3.31Å; I3489-L3512 WeakPolarHBondContact O-CA 3.42Å; P3496-L3512 HydrophobicContact CB-CD1 4.4Å; P3496-L3512 HydrophobicContact CB-CD2 4.17Å; L3510-L3512 HydrophobicContact CB-CD2 4.26Å; L3510-L3512 HydrophobicContact CB-CG 4.4Å; L3512-I3519 HydrophobicContact CD1-CG2 3.42Å; L3512-I3519 VanDerWaalsContact CD1-CG2 3.42Å; L3512-F3540 HydrophobicContact CD1-CZ 4.33Å; L3512-L3544 PolarHBondContact N-O 3.11Å; L3512-L3545 HydrophobicContact CB-CD2 4Å; L3512-L3545 HydrophobicContact CD1-CD2 3.62Å; L3512-L3545 HydrophobicContact CG-CD2 4.14Å; L3512-L3545 CarbonylContact O-C 3.56Å; L3512-L3545 WeakPolarHBondContact O-CA 3.26Å; L3512-V3546 PolarHBondContact O-N 3.06Å |
| 3513 | V | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 135.2 | -172.5 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | Y3254 F3263 I3489 Y3490 S3491 N3515 L3544 V3546 I3551 | Y3254-V3513 HydrophobicContact CD1-CG1 4.45Å; Y3254-V3513 HydrophobicContact CE1-CG1 3.98Å; F3263-V3513 HydrophobicContact CD1-CB 4.41Å; F3263-V3513 HydrophobicContact CD1-CG1 4.36Å; F3263-V3513 HydrophobicContact CD1-CG2 4.02Å; F3263-V3513 HydrophobicContact CD2-CG2 3.61Å; F3263-V3513 HydrophobicContact CE1-CB 3.91Å; F3263-V3513 HydrophobicContact CE1-CG1 4.03Å; F3263-V3513 HydrophobicContact CE1-CG2 3.89Å; F3263-V3513 HydrophobicContact CE2-CB 4.11Å; F3263-V3513 HydrophobicContact CE2-CG2 3.5Å; F3263-V3513 VanDerWaalsContact CE2-CG2 3.47Å; F3263-V3513 HydrophobicContact CG-CG2 3.9Å; F3263-V3513 HydrophobicContact CZ-CB 3.75Å; F3263-V3513 HydrophobicContact CZ-CG1 4.34Å; F3263-V3513 HydrophobicContact CZ-CG2 3.64Å; I3489-V3513 PolarHBondContact O-N 3.2Å; Y3490-V3513 WeakPolarHBondContact CA-O 3.43Å; Y3490-V3513 WeakPolarHBondContact CB-O 3.3Å; S3491-V3513 PolarHBondContact N-O 2.86Å; V3513-N3515 VanDerWaalsContact C-N 3.26Å; V3513-N3515 PolarHBondContact N-ND2 2.89Å; V3513-N3515 VanDerWaalsContact N-ND2 3.18Å; V3513-N3515 PolarHBondContact O-N 3.13Å; V3513-N3515 PolarHBondContact O-ND2 3.12Å; V3513-L3544 HydrophobicContact CG2-CD2 4.33Å; V3513-V3546 HydrophobicContact CB-CB 4.25Å; V3513-V3546 HydrophobicContact CG1-CB 4.04Å; V3513-V3546 HydrophobicContact CG1-CG1 4.28Å; V3513-V3546 HydrophobicContact CG1-CG2 4.48Å; V3513-V3546 HydrophobicContact CG2-CB 4Å; V3513-V3546 HydrophobicContact CG2-CG2 3.82Å; V3513-I3551 HydrophobicContact CG1-CD1 4.48Å |
| 3514 | D | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.056 | C | C | . | . | S | Bend | trans | 54.6 | 37.1 | 176.6 | -63 | -41.9 | 0 | 0 | 0 | 114.5 | M3221 Y3254 S3491 V3546 G3547 H3548 S3549 I3551 Q3552 Y3580 | M3221-D3514 WeakPolarHBondContact CE-O 3.34Å; Y3254-D3514 VanDerWaalsContact CE1-OD2 3.25Å; Y3254-D3514 WeakPolarHBondContact CE1-OD2 3.35Å; Y3254-D3514 PolarHBondContact OH-OD2 2.56Å; S3491-D3514 VanDerWaalsContact CA-O 3.31Å; S3491-D3514 WeakPolarHBondContact CA-O 3.26Å; S3491-D3514 PolarHBondContact N-O 3.23Å; D3514-V3546 PolarHBondContact N-O 3.02Å; D3514-V3546 VanDerWaalsContact N-O 3.17Å; D3514-G3547 WeakPolarHBondContact CA-O 3.35Å; D3514-G3547 PolarHBondContact N-O 3.13Å; D3514-G3547 VanDerWaalsContact OD1-O 3.13Å; D3514-H3548 VanDerWaalsContact OD1-CA 3.26Å; D3514-H3548 WeakPolarHBondContact OD1-CA 3.35Å; D3514-H3548 IonicContact OD1-CG 3.38Å; D3514-S3549 VanDerWaalsContact CG-OG 3.31Å; D3514-S3549 PolarHBondContact OD1-N 3.17Å; D3514-S3549 PolarHBondContact OD1-OG 3.4Å; D3514-S3549 WeakPolarHBondContact OD2-CB 3.37Å; D3514-S3549 PolarHBondContact OD2-OG 3Å; D3514-I3551 WeakPolarHBondContact OD2-CB 3.48Å; D3514-Q3552 HydrophobicContact CB-CB 4.36Å; D3514-Q3552 HydrophobicContact CB-CG 3.88Å; D3514-Q3552 WeakPolarHBondContact OD2-CG 3.36Å; D3514-Y3580 HydrophobicContact CB-CE2 4.28Å |
| 3515 | N | 95.9 | Very high | 95.7 | Very high | 8.4 Ų | 8.4 | 13.6 Ų | 13.6 | 5% | 0.045 | 7% | 0.068 | C | C | . | . | trans | -96.2 | 128.2 | 176.4 | -61.7 | -63.4 | 0 | 0 | 0 | 110.1 | I3489 Y3490 S3491 V3492 P3496 V3513 Y3580 | I3489-N3515 PolarHBondContact O-ND2 3.12Å; I3489-N3515 VanDerWaalsContact O-ND2 3.13Å; Y3490-N3515 WeakPolarHBondContact CA-OD1 3.32Å; S3491-N3515 PolarHBondContact N-OD1 2.87Å; V3492-N3515 VanDerWaalsContact CB-OD1 3.3Å; V3492-N3515 WeakPolarHBondContact CB-OD1 3.18Å; V3492-N3515 PolarHBondContact N-OD1 3.15Å; V3492-N3515 CarbonylContact O-C 3.45Å; V3492-N3515 WeakPolarHBondContact O-CA 3.24Å; P3496-N3515 HydrophobicContact CB-CB 4.22Å; P3496-N3515 HydrophobicContact CG-CB 3.6Å; P3496-N3515 VanDerWaalsContact CG-CB 3.48Å; V3513-N3515 VanDerWaalsContact C-N 3.26Å; V3513-N3515 PolarHBondContact N-ND2 2.89Å; V3513-N3515 VanDerWaalsContact N-ND2 3.18Å; V3513-N3515 PolarHBondContact O-N 3.13Å; V3513-N3515 PolarHBondContact O-ND2 3.12Å; N3515-Y3580 VanDerWaalsContact O-CB 3.29Å; N3515-Y3580 WeakPolarHBondContact O-CB 3.36Å; N3515-Y3580 VanDerWaalsContact O-CD2 3.31Å; N3515-Y3580 WeakPolarHBondContact O-CD2 3.32Å | ||
| 3516 | A | 94 | Very high | 95.5 | Very high | 15.6 Ų | 15.6 | 14.6 Ų | 14.6 | 13% | 0.129 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -72 | -38.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M3221 V3492 Y3580 L3581 | M3221-A3516 HydrophobicContact CE-CB 3.77Å; M3221-A3516 HydrophobicContact SD-CB 4Å; V3492-A3516 PolarHBondContact O-N 3Å; A3516-Y3580 VanDerWaalsContact CA-CD1 3.47Å; A3516-Y3580 HydrophobicContact CB-CD1 3.89Å; A3516-Y3580 HydrophobicContact CB-CE1 3.88Å; A3516-Y3580 WeakPolarHBondContact O-CA 3.21Å; A3516-L3581 PolarHBondContact O-N 2.98Å; A3516-L3581 VanDerWaalsContact O-N 3.12Å |
| 3517 | G | 92.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -97 | 160.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S3493 Q3494 P3496 P3572 L3581 | S3493-G3517 PolarHBondContact O-N 2.84Å; Q3494-G3517 VanDerWaalsContact O-CA 3.3Å; Q3494-G3517 WeakPolarHBondContact O-CA 3.25Å; P3496-G3517 WeakPolarHBondContact CD-O 3.25Å; P3496-G3517 VanDerWaalsContact CG-O 3.23Å; P3496-G3517 WeakPolarHBondContact CG-O 3.37Å; G3517-P3572 WeakPolarHBondContact CA-O 3.25Å; G3517-L3581 CarbonylContact C-O 3.37Å; G3517-L3581 VanDerWaalsContact C-O 3.31Å; G3517-L3581 VanDerWaalsContact O-O 3.1Å |
| 3518 | G | 94.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | P | Polyproline II helix | trans | -94.9 | 159.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P3572 L3581 G3582 | G3518-P3572 PolarHBondContact N-O 3.19Å; G3518-L3581 WeakPolarHBondContact CA-O 3.38Å; G3518-L3581 PolarHBondContact N-O 2.8Å; G3518-G3582 WeakPolarHBondContact CA-O 3.28Å |
| 3519 | I | 97.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | B | Isolated β-bridge | trans | -64.7 | 144.8 | 167.5 | 63 | 172.9 | 0 | 0 | 0 | 110.8 | P3496 V3497 W3499 L3512 F3538 F3540 G3582 M3583 T3584 | P3496-I3519 HydrophobicContact CB-CG2 4.15Å; P3496-I3519 HydrophobicContact CG-CG2 3.76Å; V3497-I3519 HydrophobicContact CB-CG2 3.98Å; V3497-I3519 HydrophobicContact CG2-CG2 4.17Å; V3497-I3519 VanDerWaalsContact O-CA 3.31Å; V3497-I3519 WeakPolarHBondContact O-CA 3.29Å; W3499-I3519 HydrophobicContact CZ3-CB 4.13Å; W3499-I3519 HydrophobicContact CZ3-CD1 4.45Å; L3512-I3519 HydrophobicContact CD1-CG2 3.42Å; L3512-I3519 VanDerWaalsContact CD1-CG2 3.42Å; I3519-F3538 HydrophobicContact CD1-CZ 4.01Å; I3519-F3540 HydrophobicContact CD1-CD1 4.06Å; I3519-F3540 HydrophobicContact CD1-CE1 3.82Å; I3519-F3540 HydrophobicContact CD1-CZ 4.16Å; I3519-G3582 PolarHBondContact N-O 2.97Å; I3519-G3582 VanDerWaalsContact N-O 3.14Å; I3519-M3583 HydrophobicContact CD1-CB 4.02Å; I3519-M3583 HydrophobicContact CD1-CE 4.38Å; I3519-M3583 HydrophobicContact CG1-CB 3.36Å; I3519-T3584 PolarHBondContact O-N 3.16Å; I3519-T3584 PolarHBondContact O-OG1 2.98Å |
| 3520 | Y | 96.6 | Very high | 94.3 | Very high | 3.6 Ų | 3.6 | 16.8 Ų | 16.8 | 1% | 0.014 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 90.2 | -174.1 | -161.1 | -91.1 | 0 | 0 | 0 | 111.3 | F3495 V3497 Y3498 W3499 F3522 P3572 T3584 Q3587 L3601 A3638 | F3495-Y3520 HydrophobicContact CD1-CG 4.49Å; F3495-Y3520 HydrophobicContact CE1-CD2 4.24Å; F3495-Y3520 AromaticContact CE1-CG 3.97Å; F3495-Y3520 HydrophobicContact CE1-CG 4.02Å; V3497-Y3520 PolarHBondContact O-N 3.11Å; Y3498-Y3520 AromaticContact CD2-CD1 3.97Å; Y3498-Y3520 HydrophobicContact CD2-CD1 4Å; Y3498-Y3520 HydrophobicContact CD2-CG 4.22Å; Y3498-Y3520 AromaticContact CE2-CD1 3.59Å; Y3498-Y3520 HydrophobicContact CE2-CD1 3.59Å; Y3498-Y3520 HydrophobicContact CE2-CE1 4.24Å; Y3498-Y3520 HydrophobicContact CE2-CG 4.18Å; W3499-Y3520 PolarHBondContact N-O 3.1Å; Y3520-F3522 HydrophobicContact CD1-CB 4.36Å; Y3520-F3522 HydrophobicContact CE1-CB 4.23Å; Y3520-F3522 HydrophobicContact CE1-CD2 4.14Å; Y3520-F3522 PolarHBondContact O-N 3.01Å; Y3520-P3572 HydrophobicContact CD2-CG 4.05Å; Y3520-P3572 HydrophobicContact CE2-CG 4.36Å; Y3520-T3584 HydrophobicContact CD2-CG2 3.83Å; Y3520-T3584 WeakPolarHBondContact CD2-OG1 3.35Å; Y3520-T3584 HydrophobicContact CE2-CG2 4.14Å; Y3520-T3584 WeakPolarHBondContact CE2-OG1 3.47Å; Y3520-Q3587 HydrophobicContact CE1-CG 4.09Å; Y3520-L3601 HydrophobicContact CD2-CD2 4.03Å; Y3520-L3601 HydrophobicContact CE1-CD2 4.28Å; Y3520-L3601 HydrophobicContact CE2-CD2 3.58Å; Y3520-L3601 HydrophobicContact CG-CD2 4.47Å; Y3520-A3638 HydrophobicContact CE2-CB 4.08Å |
| 3521 | P | 96.7 | Very high | 94 | Very high | 1.8 Ų | 1.8 | 18.9 Ų | 18.9 | 1% | 0.012 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 112.8 | 177.9 | 22.6 | -16.3 | 0 | 0 | 0 | 111.2 | W3499 I3505 F3538 A3586 Q3587 | W3499-P3521 HydrophobicContact CE3-CB 4.21Å; I3505-P3521 HydrophobicContact CD1-CB 4.32Å; P3521-F3538 HydrophobicContact CB-CB 4.42Å; P3521-F3538 HydrophobicContact CB-CD1 4.06Å; P3521-F3538 HydrophobicContact CB-CD2 3.67Å; P3521-F3538 HydrophobicContact CB-CE1 4.21Å; P3521-F3538 HydrophobicContact CB-CE2 3.82Å; P3521-F3538 HydrophobicContact CB-CG 3.78Å; P3521-F3538 HydrophobicContact CB-CZ 4.09Å; P3521-F3538 HydrophobicContact CG-CD1 3.7Å; P3521-F3538 HydrophobicContact CG-CD2 4.17Å; P3521-F3538 HydrophobicContact CG-CE1 3.62Å; P3521-F3538 HydrophobicContact CG-CE2 4.09Å; P3521-F3538 HydrophobicContact CG-CG 3.97Å; P3521-F3538 HydrophobicContact CG-CZ 3.82Å; P3521-A3586 HydrophobicContact CB-CB 4.3Å; P3521-A3586 HydrophobicContact CG-CB 3.92Å; P3521-A3586 WeakPolarHBondContact O-CA 3.3Å; P3521-Q3587 PolarHBondContact O-N 3.02Å |
| 3522 | F | 95.2 | Very high | 93.8 | Very high | 5.6 Ų | 5.6 | 23.5 Ų | 23.5 | 3% | 0.025 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 123 | 174.5 | -172.7 | -61.4 | 0 | 0 | 0 | 111.1 | W3499 R3500 T3501 Y3520 Q3587 M3589 Q3591 | W3499-F3522 WeakPolarHBondContact O-CA 3.39Å; W3499-F3522 WeakPolarHBondContact O-CB 3.35Å; W3499-F3522 PolarHBondContact O-N 3.03Å; R3500-F3522 WeakPolarHBondContact CA-O 3.32Å; R3500-F3522 HydrophobicContact CB-CB 4.34Å; R3500-F3522 HydrophobicContact CG-CB 4.29Å; R3500-F3522 HydrophobicContact CG-CD1 3.71Å; R3500-F3522 HydrophobicContact CG-CE1 4.19Å; R3500-F3522 HydrophobicContact CG-CG 4Å; T3501-F3522 PolarHBondContact N-O 3.18Å; Y3520-F3522 HydrophobicContact CD1-CB 4.36Å; Y3520-F3522 HydrophobicContact CE1-CB 4.23Å; Y3520-F3522 HydrophobicContact CE1-CD2 4.14Å; Y3520-F3522 PolarHBondContact O-N 3.01Å; F3522-Q3587 HydrophobicContact CB-CB 4.09Å; F3522-Q3587 HydrophobicContact CB-CG 4.31Å; F3522-Q3587 HydrophobicContact CD2-CB 3.54Å; F3522-Q3587 HydrophobicContact CD2-CG 3.75Å; F3522-Q3587 HydrophobicContact CE2-CB 4.14Å; F3522-Q3587 HydrophobicContact CE2-CG 4.47Å; F3522-Q3587 HydrophobicContact CG-CB 3.84Å; F3522-Q3587 HydrophobicContact CG-CG 4.31Å; F3522-M3589 HydrophobicContact CD2-CG 4.36Å; F3522-M3589 HydrophobicContact CE1-CB 3.86Å; F3522-M3589 HydrophobicContact CE1-CG 3.9Å; F3522-M3589 HydrophobicContact CE2-CB 4.35Å; F3522-M3589 HydrophobicContact CE2-CG 3.6Å; F3522-M3589 HydrophobicContact CZ-CB 3.57Å; F3522-M3589 HydrophobicContact CZ-CG 3.32Å; F3522-Q3591 WeakPolarHBondContact CE1-O 3.39Å |
| 3523 | T | 93.9 | Very high | 93.5 | Very high | 5.2 Ų | 5.2 | 26.6 Ų | 26.6 | 3% | 0.032 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 133.2 | 172.1 | -168.8 | 0 | 0 | 0 | 0 | 112.1 | T3501 S3503 K3536 Q3587 F3588 M3589 | T3501-T3523 CarbonylContact O-C 3.54Å; T3501-T3523 VanDerWaalsContact O-CA 3.26Å; T3501-T3523 WeakPolarHBondContact O-CA 3.25Å; S3503-T3523 WeakPolarHBondContact O-CB 3.31Å; S3503-T3523 PolarHBondContact O-OG1 2.98Å; T3523-K3536 HydrophobicContact CG2-CB 4.2Å; T3523-K3536 HydrophobicContact CG2-CD 4.33Å; T3523-K3536 VanDerWaalsContact OG1-CD 3.29Å; T3523-K3536 WeakPolarHBondContact OG1-CD 3.4Å; T3523-Q3587 WeakPolarHBondContact CG2-O 3.37Å; T3523-Q3587 PolarHBondContact N-O 3.06Å; T3523-F3588 HydrophobicContact CG2-CB 4.43Å; T3523-F3588 HydrophobicContact CG2-CD1 3.25Å; T3523-F3588 HydrophobicContact CG2-CE1 3.65Å; T3523-F3588 HydrophobicContact CG2-CG 4.07Å; T3523-F3588 WeakPolarHBondContact O-CA 3.32Å; T3523-M3589 PolarHBondContact O-N 2.93Å |
| 3524 | G | 92.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 155.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T3501 A3502 K3536 M3589 | T3501-G3524 PolarHBondContact O-N 3.1Å; A3502-G3524 WeakPolarHBondContact CA-O 3.25Å; G3524-K3536 PolarHBondContact O-NZ 2.96Å; G3524-M3589 CarbonylContact C-O 3.51Å; G3524-M3589 VanDerWaalsContact C-O 3.3Å; G3524-M3589 WeakPolarHBondContact CA-O 3.34Å |
| 3525 | F | 92.8 | Very high | 93.1 | Very high | 85.4 Ų | 85.4 | 36.1 Ų | 36.1 | 38% | 0.375 | 18% | 0.179 | S | C | . | . | trans | 70.1 | 156 | 175.8 | -53.3 | -82.3 | 0 | 0 | 0 | 115.6 | A3502 K3536 M3589 S3590 Q3591 T3592 | A3502-F3525 HydrophobicContact CB-CD2 3.76Å; A3502-F3525 HydrophobicContact CB-CE2 4.3Å; F3525-K3536 VanDerWaalsContact C-NZ 3.31Å; F3525-K3536 VanDerWaalsContact O-CD 3.26Å; F3525-K3536 WeakPolarHBondContact O-CD 3.34Å; F3525-K3536 VanDerWaalsContact O-CE 3.27Å; F3525-K3536 WeakPolarHBondContact O-CE 3.25Å; F3525-K3536 PolarHBondContact O-NZ 3.04Å; F3525-M3589 PolarHBondContact N-O 3.17Å; F3525-S3590 WeakPolarHBondContact CA-O 3.42Å; F3525-S3590 VanDerWaalsContact CD1-O 3.31Å; F3525-S3590 WeakPolarHBondContact CD1-O 3.22Å; F3525-S3590 PolarHBondContact N-O 2.92Å; F3525-Q3591 HydrophobicContact CD1-CG 4.48Å; F3525-Q3591 HydrophobicContact CE1-CB 4.39Å; F3525-Q3591 HydrophobicContact CE1-CG 4.02Å; F3525-Q3591 HydrophobicContact CZ-CB 4.22Å; F3525-Q3591 HydrophobicContact CZ-CG 4.29Å; F3525-T3592 HydrophobicContact CD2-CG2 4.45Å; F3525-T3592 HydrophobicContact CE2-CG2 4.17Å | ||
| 3526 | P | 93.4 | Very high | 93.1 | Very high | 24.6 Ų | 24.6 | 37.5 Ų | 37.5 | 16% | 0.16 | 18% | 0.184 | C | C | . | . | S | Bend | cis | -62.2 | 158.4 | -14.3 | 30.5 | -37 | 0 | 0 | 0 | 111.3 | E3532 S3608 | P3526-E3532 HydrophobicContact CB-CB 3.82Å; P3526-E3532 HydrophobicContact CB-CG 4.45Å; P3526-E3532 WeakPolarHBondContact CB-OE2 3.18Å; P3526-E3532 HydrophobicContact CG-CB 3.82Å; P3526-S3608 WeakPolarHBondContact O-CB 3.47Å; P3526-S3608 PolarHBondContact O-OG 2.92Å; P3526-S3608 VanDerWaalsContact O-OG 3.05Å |
| 3527 | G | 90 | Very high | 93.2 | Very high | 18.8 Ų | 18.8 | 38.4 Ų | 38.4 | 19% | 0.194 | 19% | 0.189 | C | C | . | . | trans | -64.7 | 136.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R3529 S3530 | G3527-R3529 PolarHBondContact O-N 3.12Å; G3527-R3529 VanDerWaalsContact O-N 3.14Å; G3527-S3530 WeakPolarHBondContact O-CB 3.25Å; G3527-S3530 PolarHBondContact O-N 3.09Å; G3527-S3530 PolarHBondContact O-OG 3.15Å | ||
| 3528 | G | 89.4 | Confident | 93.5 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -54.9 | -34.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S3530 H3531 S3590 F3607 N3609 M3828 | G3528-S3530 VanDerWaalsContact C-N 3.27Å; G3528-S3530 PolarHBondContact O-N 2.99Å; G3528-H3531 PolarHBondContact O-N 3.09Å; G3528-S3590 PolarHBondContact N-OG 2.97Å; G3528-F3607 WeakPolarHBondContact CA-O 3.46Å; G3528-N3609 PolarHBondContact O-ND2 3.04Å; G3528-M3828 VanDerWaalsContact C-SD 3.52Å |
| 3529 | R | 88.1 | Confident | 93.6 | Very high | 105.4 Ų | 105.4 | 41.1 Ų | 41.1 | 40% | 0.398 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -66.9 | -16 | 176 | -53.1 | -175.9 | -176 | -169.2 | -3.2 | 115.2 | G3527 H3531 D3606 L3788 K3826 | G3527-R3529 PolarHBondContact O-N 3.12Å; G3527-R3529 VanDerWaalsContact O-N 3.14Å; R3529-H3531 VanDerWaalsContact C-N 3.25Å; R3529-H3531 PolarHBondContact O-N 2.78Å; R3529-D3606 IonicContact CZ-OD2 3.33Å; R3529-D3606 IonicContact NE-OD2 3.35Å; R3529-D3606 PolarHBondContact NE-OD2 3.33Å; R3529-D3606 IonicContact NH2-OD1 3.94Å; R3529-D3606 IonicContact NH2-OD2 3.12Å; R3529-D3606 PolarHBondContact NH2-OD2 3.06Å; R3529-L3788 HydrophobicContact CG-CD1 4.39Å; R3529-L3788 HydrophobicContact CG-CD2 3.98Å; R3529-K3826 PolarHBondContact NH2-O 2.95Å |
| 3530 | S | 90.4 | Very high | 93.7 | Very high | 53.6 Ų | 53.6 | 41.1 Ų | 41.1 | 38% | 0.375 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -81.7 | -6.2 | 176.5 | 72.9 | 0 | 0 | 0 | 0 | 112.8 | G3527 G3528 E3532 | G3527-S3530 WeakPolarHBondContact O-CB 3.25Å; G3527-S3530 PolarHBondContact O-N 3.09Å; G3527-S3530 PolarHBondContact O-OG 3.15Å; G3528-S3530 VanDerWaalsContact C-N 3.27Å; G3528-S3530 PolarHBondContact O-N 2.99Å; S3530-E3532 PolarHBondContact O-N 3.03Å; S3530-E3532 VanDerWaalsContact O-N 3.08Å; S3530-E3532 WeakPolarHBondContact OG-CB 3.42Å; S3530-E3532 WeakPolarHBondContact OG-CG 3.33Å; S3530-E3532 PolarHBondContact OG-N 2.91Å; S3530-E3532 PolarHBondContact OG-OE1 3.12Å |
| 3531 | H | 91 | Very high | 93.7 | Very high | 44.8 Ų | 44.8 | 43.3 Ų | 43.3 | 21% | 0.207 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 13.1 | -171.7 | -54.4 | -67.9 | 0 | 0 | 0 | 114.1 | G3528 R3529 E3781 S3782 M3783 R3854 | G3528-H3531 PolarHBondContact O-N 3.09Å; R3529-H3531 VanDerWaalsContact C-N 3.25Å; R3529-H3531 PolarHBondContact O-N 2.78Å; H3531-E3781 IonicContact CE1-OE1 3.49Å; H3531-E3781 IonicContact CG-OE1 3.47Å; H3531-E3781 IonicContact ND1-OE1 3.64Å; H3531-E3781 PolarHBondContact ND1-OE1 3.03Å; H3531-S3782 PolarHBondContact CE1-O 3.09Å; H3531-M3783 HydrophobicContact CB-CE 3.55Å; H3531-M3783 HydrophobicContact CB-SD 3.99Å; H3531-M3783 PolarHBondContact ND1-SD 3.1Å; H3531-R3854 VanDerWaalsContact O-CZ 3.32Å; H3531-R3854 PolarHBondContact O-NH1 3.17Å; H3531-R3854 PolarHBondContact O-NH2 2.97Å |
| 3532 | E | 92.9 | Very high | 93.6 | Very high | 116 Ų | 116 | 46.4 Ų | 46.4 | 54% | 0.542 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -78.3 | 132.7 | 174.5 | -71.3 | 177.3 | -142.4 | 0 | 0 | 110.8 | P3526 S3530 S3534 | P3526-E3532 HydrophobicContact CB-CB 3.82Å; P3526-E3532 HydrophobicContact CB-CG 4.45Å; P3526-E3532 WeakPolarHBondContact CB-OE2 3.18Å; P3526-E3532 HydrophobicContact CG-CB 3.82Å; S3530-E3532 PolarHBondContact O-N 3.03Å; S3530-E3532 VanDerWaalsContact O-N 3.08Å; S3530-E3532 WeakPolarHBondContact OG-CB 3.42Å; S3530-E3532 WeakPolarHBondContact OG-CG 3.33Å; S3530-E3532 PolarHBondContact OG-N 2.91Å; S3530-E3532 PolarHBondContact OG-OE1 3.12Å; E3532-S3534 PolarHBondContact O-N 3.01Å |
| 3533 | I | 92.6 | Very high | 93.8 | Very high | 69.4 Ų | 69.4 | 46.1 Ų | 46.1 | 36% | 0.356 | 23% | 0.23 | S | C | . | . | P | Polyproline II helix | trans | -76.8 | 117 | 177.5 | -64.5 | 168.1 | 0 | 0 | 0 | 109.2 | K3535 R3856 I3941 | I3533-K3535 PolarHBondContact O-N 2.87Å; I3533-R3856 VanDerWaalsContact CG2-NH1 3.28Å; I3533-I3941 HydrophobicContact CD1-CD1 3.52Å; I3533-I3941 VanDerWaalsContact CD1-CD1 3.48Å; I3533-I3941 HydrophobicContact CD1-CG1 4.47Å |
| 3534 | S | 93.2 | Very high | 94 | Very high | 5.8 Ų | 5.8 | 45.9 Ų | 45.9 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 129.6 | 173.5 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | E3532 K3536 N3609 G3610 | E3532-S3534 PolarHBondContact O-N 3.01Å; S3534-K3536 VanDerWaalsContact C-N 3.33Å; S3534-K3536 PolarHBondContact OG-N 3.1Å; S3534-N3609 PolarHBondContact N-O 2.99Å; S3534-G3610 WeakPolarHBondContact CB-O 3.29Å; S3534-G3610 WeakPolarHBondContact O-CA 3.35Å; S3534-G3610 PolarHBondContact OG-O 2.8Å |
| 3535 | K | 91.9 | Very high | 94.2 | Very high | 192.6 Ų | 192.6 | 45.9 Ų | 45.9 | 84% | 0.837 | 23% | 0.228 | S | C | * | . | trans | -105.5 | 14.5 | 172.5 | -62.7 | -174.6 | 178.5 | -176.3 | 0 | 112.6 | I3533 | I3533-K3535 PolarHBondContact O-N 2.87Š| ||
| 3536 | K | 95.1 | Very high | 94.5 | Very high | 37.8 Ų | 37.8 | 41.9 Ų | 41.9 | 16% | 0.164 | 21% | 0.211 | C | C | . | . | trans | -73.2 | 145.9 | -176.9 | -66.6 | -176 | -177.1 | 171.1 | 0 | 110.7 | A3502 T3523 G3524 F3525 S3534 F3588 G3611 A3612 | A3502-K3536 VanDerWaalsContact O-CE 3.29Å; A3502-K3536 WeakPolarHBondContact O-CE 3.32Å; A3502-K3536 PolarHBondContact O-NZ 3.11Å; T3523-K3536 HydrophobicContact CG2-CB 4.2Å; T3523-K3536 HydrophobicContact CG2-CD 4.33Å; T3523-K3536 VanDerWaalsContact OG1-CD 3.29Å; T3523-K3536 WeakPolarHBondContact OG1-CD 3.4Å; G3524-K3536 PolarHBondContact O-NZ 2.96Å; F3525-K3536 VanDerWaalsContact C-NZ 3.31Å; F3525-K3536 VanDerWaalsContact O-CD 3.26Å; F3525-K3536 WeakPolarHBondContact O-CD 3.34Å; F3525-K3536 VanDerWaalsContact O-CE 3.27Å; F3525-K3536 WeakPolarHBondContact O-CE 3.25Å; F3525-K3536 PolarHBondContact O-NZ 3.04Å; S3534-K3536 VanDerWaalsContact C-N 3.33Å; S3534-K3536 PolarHBondContact OG-N 3.1Å; K3536-F3588 HydrophobicContact CB-CD1 4.38Å; K3536-F3588 HydrophobicContact CB-CE1 4.45Å; K3536-F3588 VanDerWaalsContact O-CE1 3.3Å; K3536-F3588 WeakPolarHBondContact O-CE1 3.27Å; K3536-G3611 WeakPolarHBondContact O-CA 3.39Å; K3536-A3612 PolarHBondContact O-N 2.68Å | ||
| 3537 | T | 96.8 | Very high | 94.6 | Very high | 35.6 Ų | 35.6 | 40.7 Ų | 40.7 | 22% | 0.218 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 156 | -179.2 | 56.6 | 0 | 0 | 0 | 0 | 110.7 | I3505 A3612 Y3614 | I3505-T3537 PolarHBondContact N-O 2.94Å; T3537-A3612 VanDerWaalsContact CA-O 3.29Å; T3537-A3612 WeakPolarHBondContact CA-O 3.34Å; T3537-Y3614 HydrophobicContact CG2-CD2 4.3Å; T3537-Y3614 HydrophobicContact CG2-CE2 3.91Å |
| 3538 | F | 98.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 2% | 0.022 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 116.6 | 160.9 | 171 | -123.6 | 0 | 0 | 0 | 108 | W3499 I3505 A3507 I3519 P3521 F3540 A3586 F3588 A3612 A3613 Y3614 L3615 | W3499-F3538 HydrophobicContact CH2-CE2 4.5Å; W3499-F3538 HydrophobicContact CZ3-CE2 4.4Å; I3505-F3538 HydrophobicContact CB-CD2 3.97Å; I3505-F3538 HydrophobicContact CG2-CD2 3.68Å; I3505-F3538 HydrophobicContact CG2-CE2 3.95Å; I3505-F3538 CarbonylContact O-C 3.55Å; I3505-F3538 WeakPolarHBondContact O-CA 3.31Å; A3507-F3538 HydrophobicContact CB-CE2 4.42Å; I3519-F3538 HydrophobicContact CD1-CZ 4.01Å; P3521-F3538 HydrophobicContact CB-CB 4.42Å; P3521-F3538 HydrophobicContact CB-CD1 4.06Å; P3521-F3538 HydrophobicContact CB-CD2 3.67Å; P3521-F3538 HydrophobicContact CB-CE1 4.21Å; P3521-F3538 HydrophobicContact CB-CE2 3.82Å; P3521-F3538 HydrophobicContact CB-CG 3.78Å; P3521-F3538 HydrophobicContact CB-CZ 4.09Å; P3521-F3538 HydrophobicContact CG-CD1 3.7Å; P3521-F3538 HydrophobicContact CG-CD2 4.17Å; P3521-F3538 HydrophobicContact CG-CE1 3.62Å; P3521-F3538 HydrophobicContact CG-CE2 4.09Å; P3521-F3538 HydrophobicContact CG-CG 3.97Å; P3521-F3538 HydrophobicContact CG-CZ 3.82Å; F3538-F3540 HydrophobicContact CE1-CB 3.93Å; F3538-F3540 HydrophobicContact CE2-CB 4.35Å; F3538-F3540 HydrophobicContact CZ-CB 3.69Å; F3538-F3540 HydrophobicContact CZ-CD1 4.45Å; F3538-F3540 HydrophobicContact CZ-CG 4.15Å; F3538-A3586 HydrophobicContact CB-CB 3.87Å; F3538-A3586 HydrophobicContact CD1-CB 4.02Å; F3538-A3586 HydrophobicContact CG-CB 4.23Å; F3538-F3588 HydrophobicContact CB-CZ 4.43Å; F3538-A3612 PolarHBondContact N-O 3.03Å; F3538-A3612 VanDerWaalsContact N-O 3.08Å; F3538-A3613 HydrophobicContact CB-CB 4.32Å; F3538-A3613 HydrophobicContact CD1-CB 4.02Å; F3538-A3613 CarbonylContact O-C 3.49Å; F3538-A3613 WeakPolarHBondContact O-CA 3.17Å; F3538-Y3614 PolarHBondContact O-N 2.93Å; F3538-L3615 HydrophobicContact CD1-CD1 4.32Å; F3538-L3615 HydrophobicContact CE1-CD1 4.26Å |
| 3539 | L | 97.8 | Very high | 95 | Very high | 51.8 Ų | 51.8 | 40.5 Ų | 40.5 | 27% | 0.271 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.1 | 175.9 | -50.5 | -176.7 | 0 | 0 | 0 | 109.3 | I3505 Q3506 A3507 Y3614 | I3505-L3539 PolarHBondContact O-N 3.01Å; Q3506-L3539 CarbonylContact C-O 3.35Å; Q3506-L3539 VanDerWaalsContact CA-O 3.31Å; Q3506-L3539 WeakPolarHBondContact CA-O 3.35Å; Q3506-L3539 HydrophobicContact CB-CB 4.49Å; Q3506-L3539 HydrophobicContact CG-CB 4.06Å; Q3506-L3539 HydrophobicContact CG-CD1 4.04Å; Q3506-L3539 HydrophobicContact CG-CG 4.22Å; A3507-L3539 PolarHBondContact N-O 3.01Å; L3539-Y3614 CarbonylContact C-O 3.52Å; L3539-Y3614 WeakPolarHBondContact CA-O 3.33Å; L3539-Y3614 HydrophobicContact CD2-CD2 3.62Å; L3539-Y3614 HydrophobicContact CD2-CG 4.1Å |
| 3540 | F | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 107.2 | 175.3 | -173.1 | -153.5 | 0 | 0 | 0 | 109.9 | A3507 L3510 L3512 I3519 F3538 S3543 L3545 M3583 Y3614 L3615 S3616 L3618 | A3507-F3540 HydrophobicContact CB-CD2 3.5Å; A3507-F3540 VanDerWaalsContact CB-CD2 3.49Å; A3507-F3540 HydrophobicContact CB-CE2 4Å; A3507-F3540 HydrophobicContact CB-CG 4.38Å; A3507-F3540 CarbonylContact O-C 3.53Å; A3507-F3540 WeakPolarHBondContact O-CA 3.32Å; L3510-F3540 HydrophobicContact CB-CE2 4.23Å; L3510-F3540 HydrophobicContact CD1-CE2 4.33Å; L3510-F3540 HydrophobicContact CG-CE2 4.42Å; L3512-F3540 HydrophobicContact CD1-CZ 4.33Å; I3519-F3540 HydrophobicContact CD1-CD1 4.06Å; I3519-F3540 HydrophobicContact CD1-CE1 3.82Å; I3519-F3540 HydrophobicContact CD1-CZ 4.16Å; F3538-F3540 HydrophobicContact CE1-CB 3.93Å; F3538-F3540 HydrophobicContact CE2-CB 4.35Å; F3538-F3540 HydrophobicContact CZ-CB 3.69Å; F3538-F3540 HydrophobicContact CZ-CD1 4.45Å; F3538-F3540 HydrophobicContact CZ-CG 4.15Å; F3540-S3543 WeakPolarHBondContact CE2-OG 3.3Å; F3540-S3543 VanDerWaalsContact CZ-CB 3.46Å; F3540-L3545 HydrophobicContact CE1-CD1 4.17Å; F3540-L3545 HydrophobicContact CE1-CD2 4.09Å; F3540-L3545 HydrophobicContact CE1-CG 4.27Å; F3540-L3545 HydrophobicContact CZ-CD2 4.04Å; F3540-L3545 HydrophobicContact CZ-CG 4.5Å; F3540-M3583 HydrophobicContact CD1-CE 3.65Å; F3540-M3583 HydrophobicContact CE1-CE 3.62Å; F3540-Y3614 PolarHBondContact N-O 3.09Å; F3540-L3615 HydrophobicContact CB-CD1 4.41Å; F3540-L3615 HydrophobicContact CB-CG 4.13Å; F3540-L3615 HydrophobicContact CD1-CG 4.38Å; F3540-L3615 CarbonylContact O-C 3.5Å; F3540-L3615 VanDerWaalsContact O-CA 3.31Å; F3540-L3615 WeakPolarHBondContact O-CA 3.31Å; F3540-S3616 PolarHBondContact O-N 3.34Å; F3540-L3618 HydrophobicContact CD1-CD1 3.93Å; F3540-L3618 HydrophobicContact CD1-CD2 3.94Å; F3540-L3618 HydrophobicContact CD2-CD2 4.46Å; F3540-L3618 HydrophobicContact CE1-CD1 4.19Å; F3540-L3618 HydrophobicContact CE1-CD2 4.08Å; F3540-L3618 HydrophobicContact CG-CD2 4.16Å; F3540-L3618 HydrophobicContact CZ-CD2 4.43Å |
| 3541 | N | 96.7 | Very high | 95 | Very high | 49.2 Ų | 49.2 | 37.8 Ų | 37.8 | 26% | 0.263 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 149.1 | -166.9 | -170.4 | 27.4 | 0 | 0 | 0 | 113 | A3507 N3508 N3509 S3543 S3616 N3617 | A3507-N3541 PolarHBondContact O-N 2.94Å; N3508-N3541 WeakPolarHBondContact CA-O 3.26Å; N3508-N3541 PolarHBondContact OD1-ND2 3.15Å; N3509-N3541 PolarHBondContact N-O 3.12Å; N3509-N3541 VanDerWaalsContact N-O 3.1Å; N3541-S3543 VanDerWaalsContact C-N 3.25Å; N3541-S3543 PolarHBondContact O-N 3.16Å; N3541-S3543 VanDerWaalsContact O-N 3.11Å; N3541-S3543 PolarHBondContact O-OG 3.18Å; N3541-S3616 CarbonylContact C-O 3.53Å; N3541-S3616 VanDerWaalsContact CA-O 3.26Å; N3541-S3616 WeakPolarHBondContact CA-O 3.36Å; N3541-S3616 VanDerWaalsContact CG-OG 3.28Å; N3541-S3616 PolarHBondContact OD1-O 2.9Å; N3541-S3616 VanDerWaalsContact OD1-O 3.1Å; N3541-S3616 PolarHBondContact OD1-OG 3.06Å; N3541-N3617 PolarHBondContact OD1-ND2 2.98Å |
| 3542 | N | 96.5 | Very high | 95 | Very high | 66.4 Ų | 66.4 | 36.5 Ų | 36.5 | 36% | 0.355 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 49.4 | 41.9 | 168.2 | -157.1 | 32.1 | 0 | 0 | 0 | 113.3 | H3261 N3509 S3616 N3617 | H3261-N3542 PolarHBondContact CE1-O 2.91Å; H3261-N3542 VanDerWaalsContact CE1-O 3.31Å; N3509-N3542 VanDerWaalsContact CA-O 3.24Å; N3509-N3542 WeakPolarHBondContact CA-O 3.33Å; N3509-N3542 PolarHBondContact N-O 3.1Å; N3542-S3616 PolarHBondContact N-O 2.94Å; N3542-S3616 VanDerWaalsContact N-O 3.09Å; N3542-N3617 VanDerWaalsContact CA-O 3.3Å; N3542-N3617 WeakPolarHBondContact CA-O 3.4Å; N3542-N3617 WeakPolarHBondContact OD1-CB 3.44Å; N3542-N3617 PolarHBondContact OD1-ND2 3.1Å; N3542-N3617 VanDerWaalsContact OD1-ND2 3.09Å |
| 3543 | S | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -123.1 | 156.1 | -168.6 | -66.2 | 0 | 0 | 0 | 0 | 111.9 | N3509 L3510 F3540 N3541 L3618 T3619 | N3509-S3543 PolarHBondContact N-OG 2.87Å; L3510-S3543 PolarHBondContact N-OG 3.02Å; L3510-S3543 CarbonylContact O-C 3.55Å; L3510-S3543 VanDerWaalsContact O-CA 3.24Å; L3510-S3543 WeakPolarHBondContact O-CA 3.39Å; L3510-S3543 WeakPolarHBondContact O-CB 3.42Å; L3510-S3543 PolarHBondContact O-OG 3.04Å; F3540-S3543 WeakPolarHBondContact CE2-OG 3.3Å; F3540-S3543 VanDerWaalsContact CZ-CB 3.46Å; N3541-S3543 VanDerWaalsContact C-N 3.25Å; N3541-S3543 PolarHBondContact O-N 3.16Å; N3541-S3543 VanDerWaalsContact O-N 3.11Å; N3541-S3543 PolarHBondContact O-OG 3.18Å; S3543-L3618 CarbonylContact O-C 3.22Å; S3543-L3618 WeakPolarHBondContact O-CA 3.44Å; S3543-T3619 PolarHBondContact O-N 2.87Å | ||
| 3544 | L | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 130.3 | -179.5 | 172.7 | 67.2 | 0 | 0 | 0 | 109.8 | Y3258 H3261 F3263 L3510 Q3511 L3512 V3513 V3546 T3619 | Y3258-L3544 HydrophobicContact CD2-CD1 4.27Å; Y3258-L3544 HydrophobicContact CD2-CD2 3.81Å; Y3258-L3544 HydrophobicContact CG-CD1 4.09Å; Y3258-L3544 HydrophobicContact CG-CD2 4.43Å; H3261-L3544 HydrophobicContact CB-CB 4.2Å; H3261-L3544 HydrophobicContact CB-CD2 3.95Å; H3261-L3544 HydrophobicContact CB-CG 4.46Å; F3263-L3544 HydrophobicContact CB-CD2 4.44Å; L3510-L3544 PolarHBondContact O-N 2.93Å; Q3511-L3544 HydrophobicContact CB-CB 4.21Å; Q3511-L3544 HydrophobicContact CB-CD2 4.32Å; Q3511-L3544 HydrophobicContact CG-CB 4.13Å; Q3511-L3544 HydrophobicContact CG-CD2 4.48Å; L3512-L3544 PolarHBondContact N-O 3.11Å; V3513-L3544 HydrophobicContact CG2-CD2 4.33Å; L3544-V3546 HydrophobicContact CD1-CG2 3.72Å; L3544-V3546 HydrophobicContact CD2-CG2 3.96Å; L3544-V3546 HydrophobicContact CG-CG2 3.77Å; L3544-T3619 CarbonylContact C-O 3.44Å; L3544-T3619 WeakPolarHBondContact CA-O 3.26Å; L3544-T3619 HydrophobicContact CD1-CG2 3.86Å; L3544-T3619 WeakPolarHBondContact CD1-O 3.43Å |
| 3545 | L | 98.3 | Very high | 94.6 | Very high | 0.2 Ų | 0.2 | 39.8 Ų | 39.8 | 0% | 0.001 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 120.4 | 169.1 | -64 | 174.3 | 0 | 0 | 0 | 108.4 | L3512 F3540 M3583 L3618 T3619 I3620 A3621 Y3623 V3634 | L3512-L3545 HydrophobicContact CB-CD2 4Å; L3512-L3545 HydrophobicContact CD1-CD2 3.62Å; L3512-L3545 HydrophobicContact CG-CD2 4.14Å; L3512-L3545 CarbonylContact O-C 3.56Å; L3512-L3545 WeakPolarHBondContact O-CA 3.26Å; F3540-L3545 HydrophobicContact CE1-CD1 4.17Å; F3540-L3545 HydrophobicContact CE1-CD2 4.09Å; F3540-L3545 HydrophobicContact CE1-CG 4.27Å; F3540-L3545 HydrophobicContact CZ-CD2 4.04Å; F3540-L3545 HydrophobicContact CZ-CG 4.5Å; L3545-M3583 HydrophobicContact CD1-CE 3.56Å; L3545-M3583 VanDerWaalsContact CD1-CE 3.45Å; L3545-L3618 HydrophobicContact CD1-CD1 4.39Å; L3545-T3619 PolarHBondContact N-O 3.21Å; L3545-I3620 HydrophobicContact CB-CG1 4.39Å; L3545-I3620 HydrophobicContact CB-CG2 4.42Å; L3545-I3620 HydrophobicContact CD1-CD1 4.43Å; L3545-I3620 HydrophobicContact CD1-CG1 4.3Å; L3545-I3620 CarbonylContact O-C 3.54Å; L3545-I3620 VanDerWaalsContact O-CA 3.3Å; L3545-I3620 WeakPolarHBondContact O-CA 3.31Å; L3545-A3621 PolarHBondContact O-N 2.7Å; L3545-Y3623 HydrophobicContact CB-CE2 3.99Å; L3545-V3634 HydrophobicContact CD1-CG1 4.34Å |
| 3546 | V | 97.8 | Very high | 94.6 | Very high | 1.4 Ų | 1.4 | 31.1 Ų | 31.1 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 123.8 | 173 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | Y3258 L3512 V3513 D3514 L3544 A3621 N3622 | Y3258-V3546 HydrophobicContact CD1-CG2 4.43Å; Y3258-V3546 HydrophobicContact CD2-CG2 3.94Å; Y3258-V3546 HydrophobicContact CE1-CG1 4.29Å; Y3258-V3546 HydrophobicContact CE1-CG2 4.33Å; Y3258-V3546 HydrophobicContact CE2-CG1 4.49Å; Y3258-V3546 HydrophobicContact CE2-CG2 3.82Å; Y3258-V3546 HydrophobicContact CG-CG2 4.23Å; L3512-V3546 PolarHBondContact O-N 3.06Å; V3513-V3546 HydrophobicContact CB-CB 4.25Å; V3513-V3546 HydrophobicContact CG1-CB 4.04Å; V3513-V3546 HydrophobicContact CG1-CG1 4.28Å; V3513-V3546 HydrophobicContact CG1-CG2 4.48Å; V3513-V3546 HydrophobicContact CG2-CB 4Å; V3513-V3546 HydrophobicContact CG2-CG2 3.82Å; D3514-V3546 PolarHBondContact N-O 3.02Å; D3514-V3546 VanDerWaalsContact N-O 3.17Å; L3544-V3546 HydrophobicContact CD1-CG2 3.72Å; L3544-V3546 HydrophobicContact CD2-CG2 3.96Å; L3544-V3546 HydrophobicContact CG-CG2 3.77Å; V3546-A3621 VanDerWaalsContact CA-O 3.31Å; V3546-A3621 WeakPolarHBondContact CA-O 3.29Å; V3546-A3621 HydrophobicContact CG1-CB 4.49Å; V3546-A3621 HydrophobicContact CG2-CB 4.23Å; V3546-N3622 HydrophobicContact CG1-CB 4.2Å |
| 3547 | G | 95.3 | Very high | 94.5 | Very high | 0.2 Ų | 0.2 | 34.2 Ų | 34.2 | 0% | 0.002 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -65.5 | -84.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | D3514 Y3580 A3621 N3622 | D3514-G3547 WeakPolarHBondContact CA-O 3.35Å; D3514-G3547 PolarHBondContact N-O 3.13Å; D3514-G3547 VanDerWaalsContact OD1-O 3.13Å; G3547-Y3580 VanDerWaalsContact O-CD2 3.25Å; G3547-Y3580 WeakPolarHBondContact O-CD2 3.28Å; G3547-A3621 PolarHBondContact N-O 2.97Å; G3547-N3622 WeakPolarHBondContact CA-O 3.29Å |
| 3548 | H | 94.1 | Very high | 94.4 | Very high | 5.6 Ų | 5.6 | 33.6 Ų | 33.6 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | trans | -112.2 | 121.7 | 175.1 | -106.5 | -77.7 | 0 | 0 | 0 | 112.1 | D3514 G3550 Q3552 Y3580 N3622 I3626 C3627 D3632 | D3514-H3548 VanDerWaalsContact OD1-CA 3.26Å; D3514-H3548 WeakPolarHBondContact OD1-CA 3.35Å; D3514-H3548 IonicContact OD1-CG 3.38Å; H3548-G3550 VanDerWaalsContact C-N 3.25Å; H3548-G3550 WeakPolarHBondContact ND1-CA 3.19Å; H3548-G3550 PolarHBondContact ND1-N 2.75Å; H3548-G3550 PolarHBondContact O-N 3.1Å; H3548-Q3552 PolarHBondContact CE1-O 3.24Å; H3548-Q3552 PolarHBondContact NE2-O 3.04Å; H3548-Y3580 AromaticContact CD2-CE2 3.75Å; H3548-Y3580 AromaticContact CD2-CZ 3.98Å; H3548-Y3580 AromaticContact CE1-CD2 3.61Å; H3548-Y3580 AromaticContact CE1-CE1 3.78Å; H3548-Y3580 AromaticContact CE1-CE2 3.21Å; H3548-Y3580 WeakPolarHBondContact CE1-CE2 3.35Å; H3548-Y3580 AromaticContact CE1-CG 3.99Å; H3548-Y3580 AromaticContact CE1-CZ 3.31Å; H3548-Y3580 AromaticContact ND1-CD2 3.94Å; H3548-Y3580 AromaticContact ND1-CE2 3.48Å; H3548-Y3580 WeakPolarHBondContact ND1-CE2 3.45Å; H3548-Y3580 AromaticContact ND1-CZ 3.93Å; H3548-Y3580 AromaticContact NE2-CD2 3.84Å; H3548-Y3580 AromaticContact NE2-CE2 3.92Å; H3548-Y3580 AromaticContact NE2-CG 3.93Å; H3548-N3622 PolarHBondContact N-O 3.2Å; H3548-N3622 VanDerWaalsContact N-O 3.1Å; H3548-N3622 WeakPolarHBondContact O-CB 3.26Å; H3548-N3622 PolarHBondContact O-ND2 3.19Å; H3548-I3626 HydrophobicContact CB-CB 4.23Å; H3548-I3626 HydrophobicContact CB-CD1 3.96Å; H3548-I3626 HydrophobicContact CB-CG2 4.18Å; H3548-I3626 WeakPolarHBondContact O-CD1 3.01Å; H3548-C3627 PolarHBondContact CE1-SG 2.93Å; H3548-C3627 PolarHBondContact NE2-SG 2.76Å; H3548-C3627 VanDerWaalsContact NE2-SG 3.37Å; H3548-D3632 IonicContact CD2-OD1 3.68Å; H3548-D3632 IonicContact CD2-OD2 3.24Å; H3548-D3632 PolarHBondContact CD2-OD2 3.15Å; H3548-D3632 VanDerWaalsContact CD2-OD2 3.3Å; H3548-D3632 IonicContact NE2-OD1 3.14Å; H3548-D3632 IonicContact NE2-OD2 2.92Å | ||
| 3549 | S | 93.9 | Very high | 94.1 | Very high | 10.2 Ų | 10.2 | 34.4 Ų | 34.4 | 7% | 0.071 | 20% | 0.197 | C | C | . | . | trans | -70.8 | -24.6 | 176.7 | 69.4 | 0 | 0 | 0 | 0 | 112.9 | Y3254 Y3258 D3514 I3551 | Y3254-S3549 PolarHBondContact OH-O 3.38Å; Y3258-S3549 WeakPolarHBondContact OH-CB 3.19Å; D3514-S3549 VanDerWaalsContact CG-OG 3.31Å; D3514-S3549 PolarHBondContact OD1-N 3.17Å; D3514-S3549 PolarHBondContact OD1-OG 3.4Å; D3514-S3549 WeakPolarHBondContact OD2-CB 3.37Å; D3514-S3549 PolarHBondContact OD2-OG 3Å; S3549-I3551 VanDerWaalsContact C-N 3.28Å; S3549-I3551 WeakPolarHBondContact OG-CB 3.3Å; S3549-I3551 VanDerWaalsContact OG-CD1 3.3Å; S3549-I3551 WeakPolarHBondContact OG-CD1 3.32Å; S3549-I3551 WeakPolarHBondContact OG-CG1 3.04Å; S3549-I3551 PolarHBondContact OG-N 2.74Å; S3549-I3551 VanDerWaalsContact OG-N 3.1Å | ||
| 3550 | G | 89.7 | Confident | 93.8 | Very high | 60.2 Ų | 60.2 | 39.8 Ų | 39.8 | 62% | 0.621 | 22% | 0.221 | S | C | * | . | S | Bend | trans | 85.9 | -1.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | H3548 | H3548-G3550 VanDerWaalsContact C-N 3.25Å; H3548-G3550 WeakPolarHBondContact ND1-CA 3.19Å; H3548-G3550 PolarHBondContact ND1-N 2.75Å; H3548-G3550 PolarHBondContact O-N 3.1Å |
| 3551 | I | 90.1 | Very high | 93.3 | Very high | 42 Ų | 42 | 44 Ų | 44 | 22% | 0.215 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -91.1 | -41.9 | 176 | -53.6 | 171.8 | 0 | 0 | 0 | 110.5 | V3252 Y3254 Q3256 F3263 L3265 V3513 D3514 S3549 | V3252-I3551 HydrophobicContact CB-CG2 4.25Å; V3252-I3551 HydrophobicContact CG1-CB 4.25Å; V3252-I3551 HydrophobicContact CG1-CG1 4.33Å; V3252-I3551 HydrophobicContact CG1-CG2 3.4Å; V3252-I3551 HydrophobicContact CG2-CG2 4.1Å; Y3254-I3551 HydrophobicContact CD1-CD1 3.63Å; Y3254-I3551 HydrophobicContact CD1-CG1 3.97Å; Y3254-I3551 HydrophobicContact CD2-CD1 3.9Å; Y3254-I3551 HydrophobicContact CD2-CG1 3.3Å; Y3254-I3551 HydrophobicContact CE1-CB 4.35Å; Y3254-I3551 HydrophobicContact CE1-CD1 4.13Å; Y3254-I3551 HydrophobicContact CE1-CG1 4.31Å; Y3254-I3551 HydrophobicContact CE2-CD1 4.35Å; Y3254-I3551 HydrophobicContact CE2-CG1 3.75Å; Y3254-I3551 HydrophobicContact CG-CD1 4.05Å; Y3254-I3551 VanDerWaalsContact CG-CD1 3.45Å; Y3254-I3551 HydrophobicContact CG-CG1 3.41Å; Y3254-I3551 VanDerWaalsContact CG-CG1 3.41Å; Q3256-I3551 HydrophobicContact CG-CD1 3.84Å; F3263-I3551 HydrophobicContact CE1-CD1 4.05Å; L3265-I3551 HydrophobicContact CD2-CD1 4.17Å; V3513-I3551 HydrophobicContact CG1-CD1 4.48Å; D3514-I3551 WeakPolarHBondContact OD2-CB 3.48Å; S3549-I3551 VanDerWaalsContact C-N 3.28Å; S3549-I3551 WeakPolarHBondContact OG-CB 3.3Å; S3549-I3551 VanDerWaalsContact OG-CD1 3.3Å; S3549-I3551 WeakPolarHBondContact OG-CD1 3.32Å; S3549-I3551 WeakPolarHBondContact OG-CG1 3.04Å; S3549-I3551 PolarHBondContact OG-N 2.74Å; S3549-I3551 VanDerWaalsContact OG-N 3.1Å |
| 3552 | Q | 91 | Very high | 92.9 | Very high | 16.4 Ų | 16.4 | 41.7 Ų | 41.7 | 8% | 0.077 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -75.6 | 145.8 | 174.4 | -64.4 | -63.7 | -6.7 | 0 | 0 | 111.5 | T3219 Y3254 S3491 D3514 H3548 D3556 | T3219-Q3552 PolarHBondContact O-NE2 2.84Å; Y3254-Q3552 VanDerWaalsContact OH-CG 3.24Å; Y3254-Q3552 WeakPolarHBondContact OH-CG 3.22Å; Y3254-Q3552 PolarHBondContact OH-NE2 3.03Å; S3491-Q3552 VanDerWaalsContact OG-CD 3.23Å; S3491-Q3552 VanDerWaalsContact OG-CG 3.29Å; S3491-Q3552 WeakPolarHBondContact OG-CG 3.46Å; S3491-Q3552 PolarHBondContact OG-NE2 3.04Å; S3491-Q3552 VanDerWaalsContact OG-NE2 3.14Å; D3514-Q3552 HydrophobicContact CB-CB 4.36Å; D3514-Q3552 HydrophobicContact CB-CG 3.88Å; D3514-Q3552 WeakPolarHBondContact OD2-CG 3.36Å; H3548-Q3552 PolarHBondContact CE1-O 3.24Å; H3548-Q3552 PolarHBondContact NE2-O 3.04Å; Q3552-D3556 HydrophobicContact CB-CB 4.3Å; Q3552-D3556 PolarHBondContact OE1-OD2 3.03Å; Q3552-D3556 VanDerWaalsContact OE1-OD2 3.07Å |
| 3553 | T | 90.1 | Very high | 92.6 | Very high | 84.6 Ų | 84.6 | 40.7 Ų | 40.7 | 52% | 0.519 | 23% | 0.226 | S | C | . | . | trans | -75.7 | 146.3 | 175.3 | 69.9 | 0 | 0 | 0 | 0 | 110.6 | D3555 D3556 | T3553-D3555 PolarHBondContact O-N 3.06Å; T3553-D3555 VanDerWaalsContact O-N 3.1Å; T3553-D3556 VanDerWaalsContact O-CB 3.28Å; T3553-D3556 WeakPolarHBondContact O-CB 3.18Å; T3553-D3556 PolarHBondContact O-N 3.12Å; T3553-D3556 VanDerWaalsContact O-N 3.08Å; T3553-D3556 PolarHBondContact OG1-N 3.11Å | ||
| 3554 | C | 90.5 | Very high | 92 | Very high | 42.8 Ų | 42.8 | 47.5 Ų | 47.5 | 29% | 0.289 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -14.6 | 175.9 | -69.3 | 0 | 0 | 0 | 0 | 114.3 | R3557 C3627 K3630 | C3554-R3557 VanDerWaalsContact O-CZ 3.31Å; C3554-R3557 PolarHBondContact O-NH1 3.05Å; C3554-R3557 PolarHBondContact O-NH2 3.13Å; C3554-C3627 VanDerWaalsContact CA-SG 3.55Å; C3554-C3627 WeakPolarHBondContact CA-SG 3.19Å; C3554-C3627 HydrophobicContact CB-CB 3.73Å; C3554-C3627 WeakPolarHBondContact CB-SG 3.31Å; C3554-C3627 WeakPolarHBondContact SG-CA 3.26Å; C3554-C3627 WeakPolarHBondContact SG-CB 3.28Å; C3554-C3627 CovalentContact SG-SG 2.04Å; C3554-C3627 PolarHBondContact SG-SG 3.15Å; C3554-K3630 PolarHBondContact O-NZ 2.98Å |
| 3555 | D | 89.6 | Confident | 91.1 | Very high | 133.2 Ų | 133.2 | 49.5 Ų | 49.5 | 71% | 0.712 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 2.8 | 179.2 | -60.5 | -35.7 | 0 | 0 | 0 | 112.6 | T3553 R3557 | T3553-D3555 PolarHBondContact O-N 3.06Å; T3553-D3555 VanDerWaalsContact O-N 3.1Å; D3555-R3557 WeakPolarHBondContact O-CG 3.17Å; D3555-R3557 PolarHBondContact O-N 3.1Å |
| 3556 | D | 91.7 | Very high | 90.5 | Very high | 10.6 Ų | 10.6 | 49.5 Ų | 49.5 | 6% | 0.057 | 27% | 0.268 | C | S | . | . | trans | -63.4 | 132 | 174.6 | -174.4 | 21.7 | 0 | 0 | 0 | 110.8 | S3220 M3221 Q3552 T3553 | S3220-D3556 WeakPolarHBondContact CA-OD2 3.31Å; S3220-D3556 VanDerWaalsContact CB-OD1 3.31Å; S3220-D3556 WeakPolarHBondContact CB-OD1 3.24Å; M3221-D3556 WeakPolarHBondContact CB-OD2 3.24Å; M3221-D3556 VanDerWaalsContact CG-OD2 3.31Å; M3221-D3556 WeakPolarHBondContact CG-OD2 3.34Å; M3221-D3556 VanDerWaalsContact N-CG 3.32Å; M3221-D3556 PolarHBondContact N-OD1 3.2Å; M3221-D3556 PolarHBondContact N-OD2 3.14Å; Q3552-D3556 HydrophobicContact CB-CB 4.3Å; Q3552-D3556 PolarHBondContact OE1-OD2 3.03Å; Q3552-D3556 VanDerWaalsContact OE1-OD2 3.07Å; T3553-D3556 VanDerWaalsContact O-CB 3.28Å; T3553-D3556 WeakPolarHBondContact O-CB 3.18Å; T3553-D3556 PolarHBondContact O-N 3.12Å; T3553-D3556 VanDerWaalsContact O-N 3.08Å; T3553-D3556 PolarHBondContact OG1-N 3.11Å | ||
| 3557 | R | 92.6 | Very high | 89.8 | Confident | 102.2 Ų | 102.2 | 52.6 Ų | 52.6 | 39% | 0.386 | 29% | 0.29 | S | S | . | . | trans | -147.2 | 148.3 | -174 | -65.3 | -63.3 | 179.6 | -115.6 | 11.2 | 110.3 | C3554 D3555 | C3554-R3557 VanDerWaalsContact O-CZ 3.31Å; C3554-R3557 PolarHBondContact O-NH1 3.05Å; C3554-R3557 PolarHBondContact O-NH2 3.13Å; D3555-R3557 WeakPolarHBondContact O-CG 3.17Å; D3555-R3557 PolarHBondContact O-N 3.1Å | ||
| 3558 | P | 93.9 | Very high | 89.2 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 15% | 0.149 | 31% | 0.306 | C | S | . | . | trans | -63.7 | 164.1 | 169.6 | 30.2 | -36.1 | 0 | 0 | 0 | 111.4 | M3221 L3469 E3560 I3563 | M3221-P3558 HydrophobicContact CB-CB 4.48Å; M3221-P3558 WeakPolarHBondContact O-CA 3.4Å; L3469-P3558 HydrophobicContact CD2-CB 4.06Å; L3469-P3558 HydrophobicContact CD2-CG 4.49Å; P3558-E3560 PolarHBondContact O-N 3.17Å; P3558-I3563 HydrophobicContact CB-CD1 4.24Å; P3558-I3563 HydrophobicContact CB-CG1 4.13Å; P3558-I3563 HydrophobicContact CG-CD1 3.74Å; P3558-I3563 HydrophobicContact CG-CG1 3.69Å | ||
| 3559 | D | 93.5 | Very high | 88.9 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 12% | 0.118 | 31% | 0.305 | C | S | . | . | trans | -59 | 128 | 172.4 | -179.1 | 70.7 | 0 | 0 | 0 | 111 | Y3223 K3224 N3561 A3562 I3563 | Y3223-D3559 HydrophobicContact CD1-CB 4.21Å; Y3223-D3559 HydrophobicContact CE1-CB 3.94Å; K3224-D3559 IonicContact NZ-OD1 2.98Å; K3224-D3559 PolarHBondContact NZ-OD1 3.25Å; K3224-D3559 IonicContact NZ-OD2 3.61Å; K3224-D3559 PolarHBondContact NZ-OD2 3.28Å; D3559-N3561 VanDerWaalsContact C-N 3.33Å; D3559-N3561 PolarHBondContact O-N 3.26Å; D3559-N3561 WeakPolarHBondContact OD1-CB 3.41Å; D3559-N3561 PolarHBondContact OD1-N 3.14Å; D3559-N3561 VanDerWaalsContact OD1-N 3.15Å; D3559-N3561 WeakPolarHBondContact OD2-CB 3.32Å; D3559-N3561 PolarHBondContact OD2-N 3.26Å; D3559-A3562 HydrophobicContact CB-CB 3.97Å; D3559-A3562 WeakPolarHBondContact O-CB 3.32Å; D3559-A3562 PolarHBondContact O-N 3.19Å; D3559-A3562 PolarHBondContact OD1-N 2.91Å; D3559-A3562 PolarHBondContact OD2-N 3.23Å; D3559-I3563 PolarHBondContact O-N 3.09Å; D3559-I3563 VanDerWaalsContact O-N 3.14Å | ||
| 3560 | E | 90.9 | Very high | 88.7 | Confident | 166.6 Ų | 166.6 | 59 Ų | 59 | 78% | 0.779 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -63.4 | -38.9 | -175.4 | -68.4 | -176.8 | 170.4 | 0 | 0 | 112.3 | P3558 I3563 Q3564 | P3558-E3560 PolarHBondContact O-N 3.17Å; E3560-I3563 PolarHBondContact O-N 3.06Å; E3560-Q3564 PolarHBondContact O-N 2.83Å |
| 3561 | N | 87.9 | Confident | 88.7 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 47% | 0.465 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 177.8 | -69.6 | -28.8 | 0 | 0 | 0 | 111 | D3559 I3563 Q3564 L3565 | D3559-N3561 VanDerWaalsContact C-N 3.33Å; D3559-N3561 PolarHBondContact O-N 3.26Å; D3559-N3561 WeakPolarHBondContact OD1-CB 3.41Å; D3559-N3561 PolarHBondContact OD1-N 3.14Å; D3559-N3561 VanDerWaalsContact OD1-N 3.15Å; D3559-N3561 WeakPolarHBondContact OD2-CB 3.32Å; D3559-N3561 PolarHBondContact OD2-N 3.26Å; N3561-I3563 VanDerWaalsContact C-N 3.3Å; N3561-I3563 PolarHBondContact O-N 2.92Å; N3561-Q3564 PolarHBondContact O-N 3.19Å; N3561-L3565 WeakPolarHBondContact O-CB 3.25Å; N3561-L3565 VanDerWaalsContact O-CG 3.27Å; N3561-L3565 WeakPolarHBondContact O-CG 3.31Å; N3561-L3565 PolarHBondContact O-N 3.12Å |
| 3562 | A | 88.2 | Confident | 88.7 | Confident | 1.6 Ų | 1.6 | 55.2 Ų | 55.2 | 1% | 0.013 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y3223 E3441 D3559 L3565 A3566 | Y3223-A3562 HydrophobicContact CE1-CB 4.09Å; E3441-A3562 HydrophobicContact CG-CB 3.86Å; D3559-A3562 HydrophobicContact CB-CB 3.97Å; D3559-A3562 WeakPolarHBondContact O-CB 3.32Å; D3559-A3562 PolarHBondContact O-N 3.19Å; D3559-A3562 PolarHBondContact OD1-N 2.91Å; D3559-A3562 PolarHBondContact OD2-N 3.23Å; A3562-L3565 PolarHBondContact O-N 2.83Å; A3562-A3566 WeakPolarHBondContact O-CB 3.36Å; A3562-A3566 PolarHBondContact O-N 3.3Å |
| 3563 | I | 88.8 | Confident | 88.5 | Confident | 45.2 Ų | 45.2 | 56.3 Ų | 56.3 | 23% | 0.232 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 175.3 | -68.5 | -66.6 | 0 | 0 | 0 | 111.7 | L3469 P3558 D3559 E3560 N3561 L3565 A3566 S3567 L3570 | L3469-I3563 HydrophobicContact CD2-CD1 3.56Å; L3469-I3563 HydrophobicContact CD2-CG1 4.4Å; P3558-I3563 HydrophobicContact CB-CD1 4.24Å; P3558-I3563 HydrophobicContact CB-CG1 4.13Å; P3558-I3563 HydrophobicContact CG-CD1 3.74Å; P3558-I3563 HydrophobicContact CG-CG1 3.69Å; D3559-I3563 PolarHBondContact O-N 3.09Å; D3559-I3563 VanDerWaalsContact O-N 3.14Å; E3560-I3563 PolarHBondContact O-N 3.06Å; N3561-I3563 VanDerWaalsContact C-N 3.3Å; N3561-I3563 PolarHBondContact O-N 2.92Å; I3563-L3565 VanDerWaalsContact C-N 3.34Å; I3563-L3565 PolarHBondContact O-N 3.14Å; I3563-A3566 CarbonylContact O-C 3.55Å; I3563-A3566 PolarHBondContact O-N 3.22Å; I3563-A3566 VanDerWaalsContact O-N 3.14Å; I3563-S3567 PolarHBondContact O-N 2.88Å; I3563-S3567 VanDerWaalsContact O-N 3.12Å; I3563-L3570 HydrophobicContact CD1-CD2 4.01Å; I3563-L3570 HydrophobicContact CG2-CD2 4.22Å |
| 3564 | Q | 85.5 | Confident | 88.6 | Confident | 142.6 Ų | 142.6 | 52.3 Ų | 52.3 | 67% | 0.666 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -61 | -44.5 | 178.6 | -173.5 | 179.3 | 3 | 0 | 0 | 111.6 | E3560 N3561 A3566 | E3560-Q3564 PolarHBondContact O-N 2.83Å; N3561-Q3564 PolarHBondContact O-N 3.19Å; Q3564-A3566 VanDerWaalsContact C-N 3.31Å; Q3564-A3566 PolarHBondContact O-N 3.15Å |
| 3565 | L | 80.1 | Confident | 88.4 | Confident | 41.4 Ų | 41.4 | 52.2 Ų | 52.2 | 22% | 0.217 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.8 | -21 | 178.6 | -67.8 | 175 | 0 | 0 | 0 | 113.3 | W3403 E3406 I3407 L3414 R3442 N3561 A3562 I3563 | W3403-L3565 HydrophobicContact CE3-CD1 4.43Å; W3403-L3565 HydrophobicContact CZ3-CB 4.41Å; W3403-L3565 HydrophobicContact CZ3-CD1 4.47Å; W3403-L3565 HydrophobicContact CZ3-CD2 4.41Å; E3406-L3565 HydrophobicContact CB-CD1 4.44Å; E3406-L3565 HydrophobicContact CG-CD1 3.97Å; I3407-L3565 HydrophobicContact CD1-CD1 3.95Å; I3407-L3565 HydrophobicContact CD1-CD2 3.86Å; I3407-L3565 HydrophobicContact CG1-CD1 3.99Å; I3407-L3565 HydrophobicContact CG1-CD2 3.63Å; I3407-L3565 VanDerWaalsContact CG1-CD2 3.45Å; I3407-L3565 HydrophobicContact CG2-CD2 4.36Å; L3414-L3565 HydrophobicContact CD2-CD2 3.69Å; R3442-L3565 PolarHBondContact NH2-O 2.97Å; R3442-L3565 VanDerWaalsContact NH2-O 3.1Å; N3561-L3565 WeakPolarHBondContact O-CB 3.25Å; N3561-L3565 VanDerWaalsContact O-CG 3.27Å; N3561-L3565 WeakPolarHBondContact O-CG 3.31Å; N3561-L3565 PolarHBondContact O-N 3.12Å; A3562-L3565 PolarHBondContact O-N 2.83Å; I3563-L3565 VanDerWaalsContact C-N 3.34Å; I3563-L3565 PolarHBondContact O-N 3.14Å |
| 3566 | A | 85.7 | Confident | 88 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 30.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D3415 L3469 A3562 I3563 Q3564 K3568 L3569 | D3415-A3566 WeakPolarHBondContact OD1-CA 3.18Å; D3415-A3566 VanDerWaalsContact OD2-C 3.26Å; D3415-A3566 WeakPolarHBondContact OD2-CA 3.34Å; L3469-A3566 HydrophobicContact CD1-CB 3.43Å; A3562-A3566 WeakPolarHBondContact O-CB 3.36Å; A3562-A3566 PolarHBondContact O-N 3.3Å; I3563-A3566 CarbonylContact O-C 3.55Å; I3563-A3566 PolarHBondContact O-N 3.22Å; I3563-A3566 VanDerWaalsContact O-N 3.14Å; Q3564-A3566 VanDerWaalsContact C-N 3.31Å; Q3564-A3566 PolarHBondContact O-N 3.15Å; A3566-K3568 PolarHBondContact O-N 3.06Å; A3566-L3569 HydrophobicContact CB-CB 4.14Å; A3566-L3569 HydrophobicContact CB-CD1 4.06Å; A3566-L3569 HydrophobicContact CB-CG 4.23Å; A3566-L3569 WeakPolarHBondContact O-CA 3.22Å; A3566-L3569 WeakPolarHBondContact O-CB 3.26Å; A3566-L3569 PolarHBondContact O-N 3.15Å |
| 3567 | S | 83.4 | Confident | 87.4 | Confident | 65.6 Ų | 65.6 | 50.8 Ų | 50.8 | 46% | 0.459 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -54 | -25.7 | -177.3 | 65.7 | 0 | 0 | 0 | 0 | 114.4 | D3415 I3563 L3570 | D3415-S3567 PolarHBondContact OD2-N 3.27Å; D3415-S3567 PolarHBondContact OD2-OG 3.39Å; I3563-S3567 PolarHBondContact O-N 2.88Å; I3563-S3567 VanDerWaalsContact O-N 3.12Å; S3567-L3570 WeakPolarHBondContact O-CG 3.38Å |
| 3568 | K | 83 | Confident | 86.9 | Confident | 79.6 Ų | 79.6 | 49.7 Ų | 49.7 | 35% | 0.346 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -89.2 | -2.7 | 176.1 | -61.4 | -176.2 | -177.6 | 171.4 | 0 | 114.5 | Q3412 D3415 I3416 A3566 G3598 | Q3412-K3568 PolarHBondContact O-NZ 3.06Å; D3415-K3568 HydrophobicContact CB-CB 3.96Å; D3415-K3568 HydrophobicContact CB-CD 4.03Å; D3415-K3568 HydrophobicContact CB-CG 4.07Å; D3415-K3568 WeakPolarHBondContact OD2-CB 3.31Å; D3415-K3568 WeakPolarHBondContact OD2-CG 2.84Å; D3415-K3568 PolarHBondContact OD2-N 3.23Å; D3415-K3568 IonicContact OD2-NZ 3.08Å; I3416-K3568 HydrophobicContact CD1-CD 3.78Å; I3416-K3568 VanDerWaalsContact CD1-CD 3.41Å; I3416-K3568 HydrophobicContact CG1-CD 3.91Å; I3416-K3568 HydrophobicContact CG2-CD 4.24Å; A3566-K3568 PolarHBondContact O-N 3.06Å; K3568-G3598 CarbonylContact O-C 3.25Å; K3568-G3598 VanDerWaalsContact O-O 3.06Å |
| 3569 | L | 87.4 | Confident | 86.7 | Confident | 1.8 Ų | 1.8 | 48.7 Ų | 48.7 | 1% | 0.009 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -104.7 | 8.2 | 179.4 | -54.7 | -174.1 | 0 | 0 | 0 | 112.8 | I3416 F3418 R3442 I3470 F3495 A3566 L3600 | I3416-L3569 HydrophobicContact CG2-CD2 4.46Å; F3418-L3569 HydrophobicContact CD1-CD2 4.13Å; F3418-L3569 HydrophobicContact CE1-CD2 3.36Å; F3418-L3569 VanDerWaalsContact CE1-CD2 3.44Å; F3418-L3569 HydrophobicContact CZ-CD2 3.85Å; R3442-L3569 HydrophobicContact CB-CD1 4.35Å; R3442-L3569 HydrophobicContact CG-CD1 4.21Å; I3470-L3569 HydrophobicContact CD1-CB 4.38Å; F3495-L3569 WeakPolarHBondContact CE2-O 3.33Å; A3566-L3569 HydrophobicContact CB-CB 4.14Å; A3566-L3569 HydrophobicContact CB-CD1 4.06Å; A3566-L3569 HydrophobicContact CB-CG 4.23Å; A3566-L3569 WeakPolarHBondContact O-CA 3.22Å; A3566-L3569 WeakPolarHBondContact O-CB 3.26Å; A3566-L3569 PolarHBondContact O-N 3.15Å; L3569-L3600 HydrophobicContact CB-CD1 4.41Å; L3569-L3600 HydrophobicContact CD2-CD1 4.01Å; L3569-L3600 HydrophobicContact CD2-CG 4.45Å |
| 3570 | L | 89.5 | Confident | 86.8 | Confident | 69 Ų | 69 | 48 Ų | 48 | 36% | 0.361 | 27% | 0.265 | S | S | . | . | trans | -69.8 | 140.2 | -178.4 | -57.4 | -178.9 | 0 | 0 | 0 | 111.8 | Q3494 I3563 S3567 | Q3494-L3570 HydrophobicContact CG-CD2 4.44Å; Q3494-L3570 VanDerWaalsContact OE1-CA 3.31Å; I3563-L3570 HydrophobicContact CD1-CD2 4.01Å; I3563-L3570 HydrophobicContact CG2-CD2 4.22Å; S3567-L3570 WeakPolarHBondContact O-CG 3.38Å | ||
| 3571 | G | 89.7 | Confident | 87 | Confident | 12 Ų | 12 | 40.2 Ų | 40.2 | 12% | 0.124 | 23% | 0.229 | C | C | . | . | trans | -109.7 | 175.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 3572 | P | 89.5 | Confident | 87.5 | Confident | 10.4 Ų | 10.4 | 36.2 Ų | 36.2 | 7% | 0.068 | 21% | 0.208 | C | C | . | . | trans | -74.6 | 132.5 | 177.9 | 31.6 | -31.5 | 0 | 0 | 0 | 109.9 | F3495 G3517 G3518 Y3520 L3581 T3584 | F3495-P3572 HydrophobicContact CE1-CG 4.23Å; G3517-P3572 WeakPolarHBondContact CA-O 3.25Å; G3518-P3572 PolarHBondContact N-O 3.19Å; Y3520-P3572 HydrophobicContact CD2-CG 4.05Å; Y3520-P3572 HydrophobicContact CE2-CG 4.36Å; P3572-L3581 HydrophobicContact CB-CD2 3.93Å; P3572-L3581 HydrophobicContact CG-CD2 4.12Å; P3572-L3581 WeakPolarHBondContact O-CD2 3.17Å; P3572-T3584 HydrophobicContact CB-CG2 3.79Å; P3572-T3584 HydrophobicContact CG-CG2 3.45Å; P3572-T3584 VanDerWaalsContact CG-CG2 3.45Å | ||
| 3573 | T | 87.9 | Confident | 87.9 | Confident | 39.4 Ų | 39.4 | 36.1 Ų | 36.1 | 24% | 0.242 | 21% | 0.208 | C | C | . | . | trans | -109.4 | -173.3 | 174 | 57.8 | 0 | 0 | 0 | 0 | 110.2 | G3577 R3636 | T3573-G3577 WeakPolarHBondContact OG1-CA 3.26Å; T3573-R3636 PolarHBondContact O-NH1 3.28Å | ||
| 3574 | A | 90.9 | Very high | 88.2 | Confident | 0.4 Ų | 0.4 | 34 Ų | 34 | 0% | 0.003 | 20% | 0.197 | C | C | . | . | trans | -58.1 | 158.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D3576 G3577 G3579 R3631 Y3633 R3636 | A3574-D3576 VanDerWaalsContact C-N 3.26Å; A3574-D3576 WeakPolarHBondContact CB-OD1 3.49Å; A3574-D3576 PolarHBondContact O-N 3.09Å; A3574-D3576 VanDerWaalsContact O-N 3.17Å; A3574-G3577 WeakPolarHBondContact O-CA 3.2Å; A3574-G3577 PolarHBondContact O-N 2.88Å; A3574-G3579 VanDerWaalsContact CB-C 3.45Å; A3574-G3579 VanDerWaalsContact CB-O 3.25Å; A3574-G3579 WeakPolarHBondContact CB-O 3.38Å; A3574-G3579 PolarHBondContact N-O 2.91Å; A3574-R3631 VanDerWaalsContact CB-O 3.28Å; A3574-R3631 WeakPolarHBondContact CB-O 3.39Å; A3574-Y3633 HydrophobicContact CB-CD2 4.12Å; A3574-R3636 VanDerWaalsContact C-NH1 3.29Å; A3574-R3636 PolarHBondContact O-NH1 2.86Å | ||
| 3575 | P | 86.7 | Confident | 88.6 | Confident | 40.8 Ų | 40.8 | 27.3 Ų | 27.3 | 27% | 0.265 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -30.3 | -175.3 | -25.9 | 34.8 | 0 | 0 | 0 | 115.8 | G3577 Y3633 Y3665 | P3575-G3577 VanDerWaalsContact C-N 3.28Å; P3575-G3577 PolarHBondContact O-N 2.72Å; P3575-Y3633 VanDerWaalsContact CD-CD2 3.44Å; P3575-Y3633 HydrophobicContact CG-CD2 4.25Å; P3575-Y3633 HydrophobicContact CG-CE2 4.01Å; P3575-Y3665 HydrophobicContact CB-CD1 4.32Å; P3575-Y3665 HydrophobicContact CB-CD2 4.47Å; P3575-Y3665 HydrophobicContact CB-CE1 3.8Å; P3575-Y3665 HydrophobicContact CB-CE2 4.02Å; P3575-Y3665 HydrophobicContact CG-CD1 3.44Å; P3575-Y3665 VanDerWaalsContact CG-CD1 3.44Å; P3575-Y3665 HydrophobicContact CG-CD2 3.63Å; P3575-Y3665 HydrophobicContact CG-CE1 3.42Å; P3575-Y3665 VanDerWaalsContact CG-CE1 3.44Å; P3575-Y3665 HydrophobicContact CG-CE2 3.63Å; P3575-Y3665 HydrophobicContact CG-CG 3.52Å; P3575-Y3665 VanDerWaalsContact CG-CG 3.49Å; P3575-Y3665 VanDerWaalsContact CG-CZ 3.45Å |
| 3576 | D | 80.5 | Confident | 89.4 | Confident | 70 Ų | 70 | 25.5 Ų | 25.5 | 37% | 0.374 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -0.7 | 176.6 | 62.4 | 0.3 | 0 | 0 | 0 | 113.4 | A3574 N3578 G3579 R3631 | A3574-D3576 VanDerWaalsContact C-N 3.26Å; A3574-D3576 WeakPolarHBondContact CB-OD1 3.49Å; A3574-D3576 PolarHBondContact O-N 3.09Å; A3574-D3576 VanDerWaalsContact O-N 3.17Å; D3576-N3578 PolarHBondContact O-N 3.15Å; D3576-N3578 PolarHBondContact O-ND2 2.86Å; D3576-N3578 VanDerWaalsContact O-ND2 3.1Å; D3576-N3578 PolarHBondContact OD1-N 2.97Å; D3576-G3579 PolarHBondContact OD1-N 3.01Å; D3576-G3579 VanDerWaalsContact OD1-N 3.12Å; D3576-R3631 PolarHBondContact OD2-N 2.83Å |
| 3577 | G | 80.4 | Confident | 89.8 | Confident | 44.6 Ų | 44.6 | 25.6 Ų | 25.6 | 46% | 0.46 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 73.6 | -0.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | T3573 A3574 P3575 | T3573-G3577 WeakPolarHBondContact OG1-CA 3.26Å; A3574-G3577 WeakPolarHBondContact O-CA 3.2Å; A3574-G3577 PolarHBondContact O-N 2.88Å; P3575-G3577 VanDerWaalsContact C-N 3.28Å; P3575-G3577 PolarHBondContact O-N 2.72Å |
| 3578 | N | 81.2 | Confident | 90.3 | Very high | 79.4 Ų | 79.4 | 22.7 Ų | 22.7 | 43% | 0.425 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -117.2 | -28.1 | -166.2 | -69.7 | -48.9 | 0 | 0 | 0 | 114.2 | D3576 K3630 | D3576-N3578 PolarHBondContact O-N 3.15Å; D3576-N3578 PolarHBondContact O-ND2 2.86Å; D3576-N3578 VanDerWaalsContact O-ND2 3.1Å; D3576-N3578 PolarHBondContact OD1-N 2.97Å; N3578-K3630 HydrophobicContact CB-CB 4.27Å; N3578-K3630 HydrophobicContact CB-CD 4.25Å; N3578-K3630 HydrophobicContact CB-CG 3.9Å; N3578-K3630 VanDerWaalsContact O-CD 3.26Å; N3578-K3630 WeakPolarHBondContact O-CD 3.32Å; N3578-K3630 PolarHBondContact O-NZ 2.98Å |
| 3579 | G | 90.5 | Very high | 90.8 | Very high | 2.8 Ų | 2.8 | 19 Ų | 19 | 3% | 0.029 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -88.7 | 169.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A3574 D3576 | A3574-G3579 VanDerWaalsContact CB-C 3.45Å; A3574-G3579 VanDerWaalsContact CB-O 3.25Å; A3574-G3579 WeakPolarHBondContact CB-O 3.38Å; A3574-G3579 PolarHBondContact N-O 2.91Å; D3576-G3579 PolarHBondContact OD1-N 3.01Å; D3576-G3579 VanDerWaalsContact OD1-N 3.12Å |
| 3580 | Y | 94.7 | Very high | 91 | Very high | 7 Ų | 7 | 19.2 Ų | 19.2 | 3% | 0.027 | 12% | 0.121 | C | C | . | . | trans | -84.2 | 153.2 | 178.6 | -70.3 | 6.5 | 0 | 0 | 0 | 111.8 | M3221 D3514 N3515 A3516 G3547 H3548 D3632 Y3633 | M3221-Y3580 HydrophobicContact CE-CE1 4.1Å; M3221-Y3580 HydrophobicContact CE-CE2 4.37Å; M3221-Y3580 VanDerWaalsContact CE-OH 3.25Å; M3221-Y3580 WeakPolarHBondContact CE-OH 3.28Å; D3514-Y3580 HydrophobicContact CB-CE2 4.28Å; N3515-Y3580 VanDerWaalsContact O-CB 3.29Å; N3515-Y3580 WeakPolarHBondContact O-CB 3.36Å; N3515-Y3580 VanDerWaalsContact O-CD2 3.31Å; N3515-Y3580 WeakPolarHBondContact O-CD2 3.32Å; A3516-Y3580 VanDerWaalsContact CA-CD1 3.47Å; A3516-Y3580 HydrophobicContact CB-CD1 3.89Å; A3516-Y3580 HydrophobicContact CB-CE1 3.88Å; A3516-Y3580 WeakPolarHBondContact O-CA 3.21Å; G3547-Y3580 VanDerWaalsContact O-CD2 3.25Å; G3547-Y3580 WeakPolarHBondContact O-CD2 3.28Å; H3548-Y3580 AromaticContact CD2-CE2 3.75Å; H3548-Y3580 AromaticContact CD2-CZ 3.98Å; H3548-Y3580 AromaticContact CE1-CD2 3.61Å; H3548-Y3580 AromaticContact CE1-CE1 3.78Å; H3548-Y3580 AromaticContact CE1-CE2 3.21Å; H3548-Y3580 WeakPolarHBondContact CE1-CE2 3.35Å; H3548-Y3580 AromaticContact CE1-CG 3.99Å; H3548-Y3580 AromaticContact CE1-CZ 3.31Å; H3548-Y3580 AromaticContact ND1-CD2 3.94Å; H3548-Y3580 AromaticContact ND1-CE2 3.48Å; H3548-Y3580 WeakPolarHBondContact ND1-CE2 3.45Å; H3548-Y3580 AromaticContact ND1-CZ 3.93Å; H3548-Y3580 AromaticContact NE2-CD2 3.84Å; H3548-Y3580 AromaticContact NE2-CE2 3.92Å; H3548-Y3580 AromaticContact NE2-CG 3.93Å; Y3580-D3632 PolarHBondContact N-OD1 3.13Å; Y3580-D3632 CarbonylContact O-C 3.53Å; Y3580-D3632 WeakPolarHBondContact O-CA 3.25Å; Y3580-D3632 WeakPolarHBondContact O-CB 3.42Å; Y3580-Y3633 PolarHBondContact O-N 2.96Å | ||
| 3581 | L | 96.2 | Very high | 91.1 | Very high | 1.6 Ų | 1.6 | 20.1 Ų | 20.1 | 1% | 0.008 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 129.4 | 179.2 | -179.6 | 64 | 0 | 0 | 0 | 110.8 | A3516 G3517 G3518 P3572 M3583 T3584 Y3633 R3636 | A3516-L3581 PolarHBondContact O-N 2.98Å; A3516-L3581 VanDerWaalsContact O-N 3.12Å; G3517-L3581 CarbonylContact C-O 3.37Å; G3517-L3581 VanDerWaalsContact C-O 3.31Å; G3517-L3581 VanDerWaalsContact O-O 3.1Å; G3518-L3581 WeakPolarHBondContact CA-O 3.38Å; G3518-L3581 PolarHBondContact N-O 2.8Å; P3572-L3581 HydrophobicContact CB-CD2 3.93Å; P3572-L3581 HydrophobicContact CG-CD2 4.12Å; P3572-L3581 WeakPolarHBondContact O-CD2 3.17Å; L3581-M3583 WeakPolarHBondContact CD1-O 3.36Å; L3581-T3584 HydrophobicContact CD2-CG2 3.92Å; L3581-Y3633 CarbonylContact C-O 3.52Å; L3581-Y3633 VanDerWaalsContact CA-O 3.31Å; L3581-Y3633 WeakPolarHBondContact CA-O 3.36Å; L3581-Y3633 WeakPolarHBondContact CD1-O 3.32Å; L3581-R3636 HydrophobicContact CD1-CB 3.63Å; L3581-R3636 HydrophobicContact CD2-CB 4.34Å |
| 3582 | G | 97.1 | Very high | 91 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 3% | 0.031 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | -53.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G3518 I3519 Y3623 Y3633 V3634 | G3518-G3582 WeakPolarHBondContact CA-O 3.28Å; I3519-G3582 PolarHBondContact N-O 2.97Å; I3519-G3582 VanDerWaalsContact N-O 3.14Å; G3582-Y3623 WeakPolarHBondContact CA-OH 3.19Å; G3582-Y3633 PolarHBondContact N-O 2.89Å; G3582-V3634 CarbonylContact C-O 3.34Å; G3582-V3634 VanDerWaalsContact CA-O 3.3Å; G3582-V3634 WeakPolarHBondContact CA-O 3.33Å; G3582-V3634 PolarHBondContact N-O 2.75Å |
| 3583 | M | 96.7 | Very high | 90.8 | Very high | 1.4 Ų | 1.4 | 22.1 Ų | 22.1 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 160.7 | -179.8 | 70.3 | 179.2 | 73.9 | 0 | 0 | 113.4 | I3519 F3540 L3545 L3581 L3615 L3618 V3634 W3635 R3636 | I3519-M3583 HydrophobicContact CD1-CB 4.02Å; I3519-M3583 HydrophobicContact CD1-CE 4.38Å; I3519-M3583 HydrophobicContact CG1-CB 3.36Å; F3540-M3583 HydrophobicContact CD1-CE 3.65Å; F3540-M3583 HydrophobicContact CE1-CE 3.62Å; L3545-M3583 HydrophobicContact CD1-CE 3.56Å; L3545-M3583 VanDerWaalsContact CD1-CE 3.45Å; L3581-M3583 WeakPolarHBondContact CD1-O 3.36Å; M3583-L3615 HydrophobicContact CE-CD2 3.72Å; M3583-L3615 HydrophobicContact CE-CG 4.49Å; M3583-L3615 HydrophobicContact SD-CD2 3.47Å; M3583-L3615 WeakPolarHBondContact SD-CD2 3.31Å; M3583-L3615 HydrophobicContact SD-CG 4.47Å; M3583-L3618 HydrophobicContact CE-CD1 4.41Å; M3583-V3634 PolarHBondContact N-O 3.04Å; M3583-W3635 HydrophobicContact CG-CB 4.27Å; M3583-W3635 HydrophobicContact CG-CG 4.19Å; M3583-W3635 WeakPolarHBondContact O-CA 3.28Å; M3583-W3635 VanDerWaalsContact SD-CD1 3.6Å; M3583-R3636 PolarHBondContact O-N 3.09Å |
| 3584 | T | 95.3 | Very high | 90.5 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 166.6 | 161.9 | 62.9 | 0 | 0 | 0 | 0 | 112.1 | I3519 Y3520 P3572 L3581 R3636 | I3519-T3584 PolarHBondContact O-N 3.16Å; I3519-T3584 PolarHBondContact O-OG1 2.98Å; Y3520-T3584 HydrophobicContact CD2-CG2 3.83Å; Y3520-T3584 WeakPolarHBondContact CD2-OG1 3.35Å; Y3520-T3584 HydrophobicContact CE2-CG2 4.14Å; Y3520-T3584 WeakPolarHBondContact CE2-OG1 3.47Å; P3572-T3584 HydrophobicContact CB-CG2 3.79Å; P3572-T3584 HydrophobicContact CG-CG2 3.45Å; P3572-T3584 VanDerWaalsContact CG-CG2 3.45Å; L3581-T3584 HydrophobicContact CD2-CG2 3.92Å; T3584-R3636 CarbonylContact C-O 3.5Å; T3584-R3636 WeakPolarHBondContact CA-O 3.33Å |
| 3585 | T | 95 | Very high | 90.2 | Very high | 0.6 Ų | 0.6 | 25 Ų | 25 | 0% | 0.004 | 15% | 0.149 | C | C | . | . | P | Polyproline II helix | trans | -54.2 | 148.2 | 165.6 | -166.4 | 0 | 0 | 0 | 0 | 111.7 | Q3587 W3635 R3636 A3638 V3645 | T3585-Q3587 PolarHBondContact O-NE2 3.06Å; T3585-W3635 WeakPolarHBondContact OG1-CZ2 3.36Å; T3585-R3636 PolarHBondContact N-O 2.99Å; T3585-A3638 HydrophobicContact CG2-CB 4.15Å; T3585-V3645 HydrophobicContact CG2-CG1 3.84Å; T3585-V3645 VanDerWaalsContact OG1-CG1 3.24Å; T3585-V3645 WeakPolarHBondContact OG1-CG1 3.32Å |
| 3586 | A | 95.6 | Very high | 89.8 | Confident | 4.4 Ų | 4.4 | 27.7 Ų | 27.7 | 4% | 0.036 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -75.8 | 134.1 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | P3521 F3538 F3588 A3613 | P3521-A3586 HydrophobicContact CB-CB 4.3Å; P3521-A3586 HydrophobicContact CG-CB 3.92Å; P3521-A3586 WeakPolarHBondContact O-CA 3.3Å; F3538-A3586 HydrophobicContact CB-CB 3.87Å; F3538-A3586 HydrophobicContact CD1-CB 4.02Å; F3538-A3586 HydrophobicContact CG-CB 4.23Å; A3586-F3588 HydrophobicContact CB-CE2 3.72Å; A3586-F3588 HydrophobicContact CB-CZ 4.02Å; A3586-A3613 HydrophobicContact CB-CB 3.95Å |
| 3587 | Q | 94.5 | Very high | 89.4 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 1% | 0.014 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 126.9 | -178.9 | -44.7 | -60.5 | -57.7 | 0 | 0 | 109.8 | Y3520 P3521 F3522 T3523 T3585 M3589 A3638 N3641 | Y3520-Q3587 HydrophobicContact CE1-CG 4.09Å; P3521-Q3587 PolarHBondContact O-N 3.02Å; F3522-Q3587 HydrophobicContact CB-CB 4.09Å; F3522-Q3587 HydrophobicContact CB-CG 4.31Å; F3522-Q3587 HydrophobicContact CD2-CB 3.54Å; F3522-Q3587 HydrophobicContact CD2-CG 3.75Å; F3522-Q3587 HydrophobicContact CE2-CB 4.14Å; F3522-Q3587 HydrophobicContact CE2-CG 4.47Å; F3522-Q3587 HydrophobicContact CG-CB 3.84Å; F3522-Q3587 HydrophobicContact CG-CG 4.31Å; T3523-Q3587 WeakPolarHBondContact CG2-O 3.37Å; T3523-Q3587 PolarHBondContact N-O 3.06Å; T3585-Q3587 PolarHBondContact O-NE2 3.06Å; Q3587-M3589 HydrophobicContact CB-CG 4.06Å; Q3587-M3589 HydrophobicContact CB-SD 4.41Å; Q3587-A3638 VanDerWaalsContact NE2-CB 3.28Å; Q3587-N3641 VanDerWaalsContact OE1-CB 3.28Å; Q3587-N3641 PolarHBondContact OE1-ND2 3.24Å |
| 3588 | F | 94.6 | Very high | 89.1 | Confident | 4.8 Ų | 4.8 | 26.8 Ų | 26.8 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 93.2 | 175 | -60 | -87.8 | 0 | 0 | 0 | 108.5 | T3523 K3536 F3538 A3586 F3607 S3608 G3611 A3612 F3646 | T3523-F3588 HydrophobicContact CG2-CB 4.43Å; T3523-F3588 HydrophobicContact CG2-CD1 3.25Å; T3523-F3588 HydrophobicContact CG2-CE1 3.65Å; T3523-F3588 HydrophobicContact CG2-CG 4.07Å; T3523-F3588 WeakPolarHBondContact O-CA 3.32Å; K3536-F3588 HydrophobicContact CB-CD1 4.38Å; K3536-F3588 HydrophobicContact CB-CE1 4.45Å; K3536-F3588 VanDerWaalsContact O-CE1 3.3Å; K3536-F3588 WeakPolarHBondContact O-CE1 3.27Å; F3538-F3588 HydrophobicContact CB-CZ 4.43Å; A3586-F3588 HydrophobicContact CB-CE2 3.72Å; A3586-F3588 HydrophobicContact CB-CZ 4.02Å; F3588-F3607 CarbonylContact O-C 3.49Å; F3588-F3607 WeakPolarHBondContact O-CA 3.34Å; F3588-S3608 PolarHBondContact O-N 2.73Å; F3588-G3611 VanDerWaalsContact CD1-CA 3.48Å; F3588-A3612 VanDerWaalsContact CZ-N 3.31Å; F3588-A3612 VanDerWaalsContact CZ-O 3.32Å; F3588-A3612 WeakPolarHBondContact CZ-O 3.43Å; F3588-F3646 HydrophobicContact CB-CD2 3.92Å; F3588-F3646 HydrophobicContact CB-CE2 4.25Å; F3588-F3646 HydrophobicContact CD2-CB 4.06Å; F3588-F3646 AromaticContact CD2-CD2 3.96Å; F3588-F3646 HydrophobicContact CD2-CD2 3.96Å; F3588-F3646 HydrophobicContact CD2-CG 4.4Å; F3588-F3646 HydrophobicContact CE2-CB 4.3Å; F3588-F3646 HydrophobicContact CG-CD2 4.2Å |
| 3589 | M | 93.1 | Very high | 89.1 | Confident | 2 Ų | 2 | 25.8 Ų | 25.8 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 158.1 | -166.3 | -53.1 | -51.7 | -62.2 | 0 | 0 | 112.2 | F3522 T3523 G3524 F3525 Q3587 Q3591 W3603 E3605 S3608 N3641 | F3522-M3589 HydrophobicContact CD2-CG 4.36Å; F3522-M3589 HydrophobicContact CE1-CB 3.86Å; F3522-M3589 HydrophobicContact CE1-CG 3.9Å; F3522-M3589 HydrophobicContact CE2-CB 4.35Å; F3522-M3589 HydrophobicContact CE2-CG 3.6Å; F3522-M3589 HydrophobicContact CZ-CB 3.57Å; F3522-M3589 HydrophobicContact CZ-CG 3.32Å; T3523-M3589 PolarHBondContact O-N 2.93Å; G3524-M3589 CarbonylContact C-O 3.51Å; G3524-M3589 VanDerWaalsContact C-O 3.3Å; G3524-M3589 WeakPolarHBondContact CA-O 3.34Å; F3525-M3589 PolarHBondContact N-O 3.17Å; Q3587-M3589 HydrophobicContact CB-CG 4.06Å; Q3587-M3589 HydrophobicContact CB-SD 4.41Å; M3589-Q3591 PolarHBondContact O-N 2.7Å; M3589-Q3591 VanDerWaalsContact O-N 3.14Å; M3589-W3603 VanDerWaalsContact CE-CD1 3.47Å; M3589-E3605 HydrophobicContact CE-CB 4.5Å; M3589-E3605 WeakPolarHBondContact CE-O 3.36Å; M3589-S3608 VanDerWaalsContact C-OG 3.25Å; M3589-S3608 PolarHBondContact O-OG 2.93Å; M3589-N3641 PolarHBondContact SD-ND2 3.33Å; M3589-N3641 VanDerWaalsContact SD-ND2 3.42Å |
| 3590 | S | 92.1 | Very high | 89 | Confident | 5.2 Ų | 5.2 | 25.8 Ų | 25.8 | 4% | 0.036 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -62.9 | -29.4 | -177.1 | -70.9 | 0 | 0 | 0 | 0 | 113.7 | F3525 G3528 D3606 F3607 | F3525-S3590 WeakPolarHBondContact CA-O 3.42Å; F3525-S3590 VanDerWaalsContact CD1-O 3.31Å; F3525-S3590 WeakPolarHBondContact CD1-O 3.22Å; F3525-S3590 PolarHBondContact N-O 2.92Å; G3528-S3590 PolarHBondContact N-OG 2.97Å; S3590-D3606 WeakPolarHBondContact CB-O 3.39Å; S3590-D3606 PolarHBondContact N-O 2.85Å; S3590-D3606 PolarHBondContact OG-O 2.91Å; S3590-F3607 PolarHBondContact OG-O 3.18Å |
| 3591 | Q | 90.3 | Very high | 88.7 | Confident | 89 Ų | 89 | 27.7 Ų | 27.7 | 42% | 0.416 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -145.9 | 169 | 179.3 | -56.3 | -175.9 | 59.4 | 0 | 0 | 110.4 | F3522 F3525 M3589 G3593 E3605 | F3522-Q3591 WeakPolarHBondContact CE1-O 3.39Å; F3525-Q3591 HydrophobicContact CD1-CG 4.48Å; F3525-Q3591 HydrophobicContact CE1-CB 4.39Å; F3525-Q3591 HydrophobicContact CE1-CG 4.02Å; F3525-Q3591 HydrophobicContact CZ-CB 4.22Å; F3525-Q3591 HydrophobicContact CZ-CG 4.29Å; M3589-Q3591 PolarHBondContact O-N 2.7Å; M3589-Q3591 VanDerWaalsContact O-N 3.14Å; Q3591-G3593 VanDerWaalsContact C-N 3.35Å; Q3591-E3605 HydrophobicContact CB-CG 4.04Å; Q3591-E3605 HydrophobicContact CG-CG 4.42Å; Q3591-E3605 WeakPolarHBondContact CG-OE2 3.42Å; Q3591-E3605 VanDerWaalsContact NE2-CD 3.31Å; Q3591-E3605 PolarHBondContact NE2-OE1 3.11Å; Q3591-E3605 PolarHBondContact NE2-OE2 3.03Å |
| 3592 | T | 89 | Confident | 88 | Confident | 36.8 Ų | 36.8 | 29.9 Ų | 29.9 | 23% | 0.226 | 16% | 0.155 | C | C | . | . | trans | -83.5 | -7.4 | 176.6 | 53.2 | 0 | 0 | 0 | 0 | 113.9 | R3500 T3501 A3502 F3525 | R3500-T3592 VanDerWaalsContact CZ-O 3.3Å; R3500-T3592 PolarHBondContact NE-O 3.32Å; R3500-T3592 PolarHBondContact NH2-O 3.2Å; T3501-T3592 VanDerWaalsContact C-CG2 3.44Å; T3501-T3592 WeakPolarHBondContact O-CG2 3.27Å; A3502-T3592 HydrophobicContact CB-CG2 4.4Å; F3525-T3592 HydrophobicContact CD2-CG2 4.45Å; F3525-T3592 HydrophobicContact CE2-CG2 4.17Å | ||
| 3593 | G | 84.8 | Confident | 87.1 | Confident | 26 Ų | 26 | 30.9 Ų | 30.9 | 27% | 0.268 | 16% | 0.158 | S | C | . | . | trans | 62.1 | -152.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q3591 P3595 | Q3591-G3593 VanDerWaalsContact C-N 3.35Å; G3593-P3595 VanDerWaalsContact C-CD 3.44Å; G3593-P3595 WeakPolarHBondContact O-CD 3.19Å | ||
| 3594 | K | 82.4 | Confident | 86 | Confident | 97.2 Ų | 97.2 | 34.8 Ų | 34.8 | 42% | 0.423 | 18% | 0.177 | S | C | . | . | trans | -125.7 | 62.9 | -175.6 | -63.2 | 177 | -174.1 | 160.3 | 0 | 112.3 | E3596 K3597 | K3594-E3596 VanDerWaalsContact C-OE2 3.28Å; K3594-E3596 WeakPolarHBondContact CA-OE1 3.28Å; K3594-E3596 WeakPolarHBondContact CA-OE2 3.36Å; K3594-E3596 VanDerWaalsContact CB-OE1 3.3Å; K3594-E3596 WeakPolarHBondContact CB-OE1 3.21Å; K3594-E3596 WeakPolarHBondContact CG-OE1 3.48Å; K3594-E3596 PolarHBondContact O-N 3.02Å; K3594-E3596 VanDerWaalsContact O-N 3.14Å; K3594-K3597 HydrophobicContact CB-CB 4.36Å; K3594-K3597 HydrophobicContact CB-CD 4.17Å; K3594-K3597 HydrophobicContact CB-CG 4.14Å; K3594-K3597 HydrophobicContact CD-CD 4.03Å; K3594-K3597 WeakPolarHBondContact O-CB 3.38Å; K3594-K3597 PolarHBondContact O-N 3.03Å | ||
| 3595 | P | 83.4 | Confident | 85.4 | Confident | 5.2 Ų | 5.2 | 36.6 Ų | 36.6 | 3% | 0.034 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -57.1 | -28.9 | 180 | 23.7 | -33.4 | 0 | 0 | 0 | 113.1 | F3418 L3475 R3500 G3593 K3597 G3598 L3600 | F3418-P3595 WeakPolarHBondContact CE2-O 3.28Å; F3418-P3595 VanDerWaalsContact CZ-O 3.27Å; F3418-P3595 WeakPolarHBondContact CZ-O 3.38Å; L3475-P3595 HydrophobicContact CB-CG 4.48Å; L3475-P3595 HydrophobicContact CD1-CB 4.03Å; L3475-P3595 HydrophobicContact CD1-CG 4.11Å; L3475-P3595 HydrophobicContact CD2-CB 3.93Å; L3475-P3595 HydrophobicContact CD2-CG 4.08Å; L3475-P3595 HydrophobicContact CG-CG 4.4Å; R3500-P3595 HydrophobicContact CB-CG 4.48Å; R3500-P3595 HydrophobicContact CG-CB 4.47Å; R3500-P3595 HydrophobicContact CG-CG 4.17Å; G3593-P3595 VanDerWaalsContact C-CD 3.44Å; G3593-P3595 WeakPolarHBondContact O-CD 3.19Å; P3595-K3597 PolarHBondContact O-N 2.81Å; P3595-K3597 VanDerWaalsContact O-N 3.09Å; P3595-G3598 PolarHBondContact O-N 3.11Å; P3595-L3600 HydrophobicContact CB-CD2 4.03Å |
| 3596 | E | 77.9 | Confident | 85.2 | Confident | 96.2 Ų | 96.2 | 36.6 Ų | 36.6 | 45% | 0.45 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -62.1 | -7.9 | 173.8 | 70.9 | -75.5 | 173.2 | 0 | 0 | 114.5 | I3416 F3418 K3594 G3598 | I3416-E3596 VanDerWaalsContact CB-O 3.28Å; I3416-E3596 WeakPolarHBondContact CB-O 3.03Å; I3416-E3596 WeakPolarHBondContact CD1-O 3.04Å; I3416-E3596 WeakPolarHBondContact CG2-O 3.42Å; F3418-E3596 VanDerWaalsContact CE2-CA 3.48Å; F3418-E3596 HydrophobicContact CE2-CB 4.43Å; F3418-E3596 WeakPolarHBondContact CE2-O 3.31Å; K3594-E3596 VanDerWaalsContact C-OE2 3.28Å; K3594-E3596 WeakPolarHBondContact CA-OE1 3.28Å; K3594-E3596 WeakPolarHBondContact CA-OE2 3.36Å; K3594-E3596 VanDerWaalsContact CB-OE1 3.3Å; K3594-E3596 WeakPolarHBondContact CB-OE1 3.21Å; K3594-E3596 WeakPolarHBondContact CG-OE1 3.48Å; K3594-E3596 PolarHBondContact O-N 3.02Å; K3594-E3596 VanDerWaalsContact O-N 3.14Å; E3596-G3598 VanDerWaalsContact C-N 3.34Å |
| 3597 | K | 73.5 | Confident | 85 | Confident | 85 Ų | 85 | 36.5 Ų | 36.5 | 37% | 0.37 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -96.9 | 8.1 | 171.2 | -65 | -168.4 | 173 | -159.3 | 0 | 113.6 | I3416 K3594 P3595 E3599 | I3416-K3597 VanDerWaalsContact CD1-O 3.31Å; I3416-K3597 WeakPolarHBondContact CD1-O 3.21Å; I3416-K3597 VanDerWaalsContact CG2-C 3.48Å; K3594-K3597 HydrophobicContact CB-CB 4.36Å; K3594-K3597 HydrophobicContact CB-CD 4.17Å; K3594-K3597 HydrophobicContact CB-CG 4.14Å; K3594-K3597 HydrophobicContact CD-CD 4.03Å; K3594-K3597 WeakPolarHBondContact O-CB 3.38Å; K3594-K3597 PolarHBondContact O-N 3.03Å; P3595-K3597 PolarHBondContact O-N 2.81Å; P3595-K3597 VanDerWaalsContact O-N 3.09Å; K3597-E3599 VanDerWaalsContact C-N 3.31Å; K3597-E3599 HydrophobicContact CB-CG 4.3Å; K3597-E3599 PolarHBondContact O-N 2.87Å |
| 3598 | G | 74.1 | Confident | 85 | Confident | 12 Ų | 12 | 36.5 Ų | 36.5 | 12% | 0.124 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.1 | 15 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K3568 P3595 E3596 L3600 | K3568-G3598 CarbonylContact O-C 3.25Å; K3568-G3598 VanDerWaalsContact O-O 3.06Å; P3595-G3598 PolarHBondContact O-N 3.11Å; E3596-G3598 VanDerWaalsContact C-N 3.34Å; G3598-L3600 PolarHBondContact O-N 3.03Å; G3598-L3600 VanDerWaalsContact O-N 3.12Å |
| 3599 | E | 81.2 | Confident | 84.9 | Confident | 57.8 Ų | 57.8 | 36.2 Ų | 36.2 | 27% | 0.27 | 18% | 0.183 | S | C | . | . | trans | -85.9 | 45.1 | 179.4 | -70.7 | -177.2 | -150.1 | 0 | 0 | 111.5 | R3500 K3597 L3601 N3602 M3604 | R3500-E3599 PolarHBondContact NH1-O 3.15Å; K3597-E3599 VanDerWaalsContact C-N 3.31Å; K3597-E3599 HydrophobicContact CB-CG 4.3Å; K3597-E3599 PolarHBondContact O-N 2.87Å; E3599-L3601 VanDerWaalsContact C-N 3.3Å; E3599-L3601 PolarHBondContact O-N 3.17Å; E3599-L3601 VanDerWaalsContact O-N 3.14Å; E3599-N3602 HydrophobicContact CB-CB 3.74Å; E3599-N3602 HydrophobicContact CG-CB 4.41Å; E3599-N3602 WeakPolarHBondContact O-CB 3.16Å; E3599-N3602 PolarHBondContact O-N 2.99Å; E3599-N3602 VanDerWaalsContact O-N 3.12Å; E3599-N3602 PolarHBondContact OE2-ND2 3.01Å; E3599-M3604 WeakPolarHBondContact OE2-CE 3.32Å | ||
| 3600 | L | 88 | Confident | 85 | Confident | 3 Ų | 3 | 36.2 Ų | 36.2 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -35.1 | -166.9 | -63.3 | -170.4 | 0 | 0 | 0 | 114.2 | F3418 I3470 M3473 F3495 Y3498 R3500 L3569 P3595 G3598 | F3418-L3600 HydrophobicContact CE1-CD2 4.16Å; F3418-L3600 HydrophobicContact CZ-CD2 4.05Å; I3470-L3600 HydrophobicContact CD1-CD1 4.09Å; M3473-L3600 HydrophobicContact CE-CD1 4.26Å; M3473-L3600 HydrophobicContact CE-CD2 4.32Å; F3495-L3600 HydrophobicContact CD2-CD1 4.43Å; F3495-L3600 HydrophobicContact CE2-CD1 3.8Å; F3495-L3600 HydrophobicContact CZ-CB 4.41Å; F3495-L3600 HydrophobicContact CZ-CD1 4.4Å; Y3498-L3600 HydrophobicContact CE1-CD2 4.02Å; Y3498-L3600 HydrophobicContact CE2-CB 4.07Å; Y3498-L3600 WeakPolarHBondContact OH-CA 3.32Å; Y3498-L3600 PolarHBondContact OH-O 3.32Å; R3500-L3600 PolarHBondContact NH1-O 3.13Å; R3500-L3600 VanDerWaalsContact NH1-O 3.13Å; L3569-L3600 HydrophobicContact CB-CD1 4.41Å; L3569-L3600 HydrophobicContact CD2-CD1 4.01Å; L3569-L3600 HydrophobicContact CD2-CG 4.45Å; P3595-L3600 HydrophobicContact CB-CD2 4.03Å; G3598-L3600 PolarHBondContact O-N 3.03Å; G3598-L3600 VanDerWaalsContact O-N 3.12Å |
| 3601 | L | 88.1 | Confident | 85.1 | Confident | 46.5 Ų | 46.5 | 36 Ų | 36 | 24% | 0.243 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -0.3 | 178.8 | -60.1 | 179.4 | 0 | 0 | 0 | 113.1 | F3495 Y3520 E3599 W3603 S3640 | F3495-L3601 HydrophobicContact CE1-CD2 4.07Å; F3495-L3601 HydrophobicContact CZ-CD2 3.87Å; F3495-L3601 HydrophobicContact CZ-CG 4.36Å; Y3520-L3601 HydrophobicContact CD2-CD2 4.03Å; Y3520-L3601 HydrophobicContact CE1-CD2 4.28Å; Y3520-L3601 HydrophobicContact CE2-CD2 3.58Å; Y3520-L3601 HydrophobicContact CG-CD2 4.47Å; E3599-L3601 VanDerWaalsContact C-N 3.3Å; E3599-L3601 PolarHBondContact O-N 3.17Å; E3599-L3601 VanDerWaalsContact O-N 3.14Å; L3601-W3603 PolarHBondContact O-N 2.98Å; L3601-S3640 WeakPolarHBondContact O-CB 3.2Å; L3601-S3640 PolarHBondContact O-OG 2.97Å |
| 3602 | N | 82.4 | Confident | 85.3 | Confident | 48 Ų | 48 | 31.8 Ų | 31.8 | 26% | 0.257 | 16% | 0.163 | S | C | . | . | trans | -67.2 | 130.8 | -173.3 | -168 | 5.8 | 0 | 0 | 0 | 112.4 | R3500 E3599 M3604 | R3500-N3602 PolarHBondContact NH2-O 2.92Å; R3500-N3602 VanDerWaalsContact NH2-O 3.12Å; E3599-N3602 HydrophobicContact CB-CB 3.74Å; E3599-N3602 HydrophobicContact CG-CB 4.41Å; E3599-N3602 WeakPolarHBondContact O-CB 3.16Å; E3599-N3602 PolarHBondContact O-N 2.99Å; E3599-N3602 VanDerWaalsContact O-N 3.12Å; E3599-N3602 PolarHBondContact OE2-ND2 3.01Å; N3602-M3604 VanDerWaalsContact CG-CG 3.46Å; N3602-M3604 WeakPolarHBondContact ND2-CE 3.23Å; N3602-M3604 VanDerWaalsContact ND2-CG 3.33Å; N3602-M3604 WeakPolarHBondContact ND2-CG 3.4Å; N3602-M3604 PolarHBondContact ND2-SD 3.34Å; N3602-M3604 VanDerWaalsContact ND2-SD 3.39Å; N3602-M3604 WeakPolarHBondContact OD1-CB 3.22Å; N3602-M3604 VanDerWaalsContact OD1-CG 3.29Å; N3602-M3604 WeakPolarHBondContact OD1-CG 3.33Å; N3602-M3604 PolarHBondContact OD1-N 3.13Å | ||
| 3603 | W | 77.6 | Confident | 85.8 | Confident | 23.5 Ų | 23.5 | 30.2 Ų | 30.2 | 9% | 0.089 | 15% | 0.153 | C | C | . | . | trans | -108.9 | 81.5 | 175.4 | 120.7 | 0.7 | 0 | 0 | 0 | 110 | M3589 L3601 E3605 S3640 N3641 E3642 D3643 K3678 S3814 H3816 | M3589-W3603 VanDerWaalsContact CE-CD1 3.47Å; L3601-W3603 PolarHBondContact O-N 2.98Å; W3603-E3605 PolarHBondContact NE1-O 2.32Å; W3603-E3605 VanDerWaalsContact NE1-O 3.08Å; W3603-E3605 PolarHBondContact O-N 2.85Å; W3603-S3640 WeakPolarHBondContact CB-O 3.27Å; W3603-S3640 VanDerWaalsContact CD1-C 3.48Å; W3603-S3640 VanDerWaalsContact CD2-O 3.29Å; W3603-S3640 VanDerWaalsContact CG-O 3.22Å; W3603-S3640 PolarHBondContact NE1-O 2.78Å; W3603-N3641 HydrophobicContact CB-CB 4.28Å; W3603-N3641 HydrophobicContact CD2-CB 4.31Å; W3603-N3641 VanDerWaalsContact CE2-OD1 3.25Å; W3603-N3641 HydrophobicContact CG-CB 4.2Å; W3603-N3641 PolarHBondContact NE1-OD1 2.87Å; W3603-E3642 HydrophobicContact CE3-CB 4.36Å; W3603-E3642 HydrophobicContact CE3-CG 4.42Å; W3603-E3642 VanDerWaalsContact CE3-N 3.29Å; W3603-E3642 HydrophobicContact CH2-CB 3.63Å; W3603-E3642 HydrophobicContact CH2-CG 4.31Å; W3603-E3642 HydrophobicContact CZ2-CB 4.22Å; W3603-E3642 HydrophobicContact CZ2-CG 4Å; W3603-E3642 HydrophobicContact CZ3-CB 3.72Å; W3603-E3642 VanDerWaalsContact CZ3-CB 3.4Å; W3603-E3642 HydrophobicContact CZ3-CG 4.01Å; W3603-D3643 HydrophobicContact CE3-CB 4.11Å; W3603-D3643 HydrophobicContact CH2-CB 4.28Å; W3603-D3643 HydrophobicContact CZ2-CB 3.51Å; W3603-D3643 WeakPolarHBondContact CZ2-OD1 3.34Å; W3603-D3643 VanDerWaalsContact CZ2-OD2 3.25Å; W3603-D3643 WeakPolarHBondContact CZ2-OD2 3.41Å; W3603-D3643 HydrophobicContact CZ3-CB 3.95Å; W3603-D3643 VanDerWaalsContact CZ3-CG 3.44Å; W3603-D3643 WeakPolarHBondContact CZ3-OD1 3.02Å; W3603-D3643 PolarHBondContact NE1-OD2 2.65Å; W3603-K3678 HydrophobicContact CZ2-CD 4.34Å; W3603-S3814 VanDerWaalsContact CH2-CB 3.42Å; W3603-H3816 AromaticContact CD2-CE1 3.84Å; W3603-H3816 AromaticContact CE2-CE1 3.22Å; W3603-H3816 AromaticContact CE2-NE2 3.5Å; W3603-H3816 AromaticContact CE3-CE1 3.59Å; W3603-H3816 AromaticContact CE3-NE2 3.83Å; W3603-H3816 AromaticContact CH2-CE1 3.93Å; W3603-H3816 AromaticContact CZ2-CE1 3.31Å; W3603-H3816 WeakPolarHBondContact CZ2-CE1 3.2Å; W3603-H3816 AromaticContact CZ2-NE2 3.4Å; W3603-H3816 WeakPolarHBondContact CZ2-NE2 3.3Å; W3603-H3816 AromaticContact CZ3-CE1 3.28Å; W3603-H3816 WeakPolarHBondContact CZ3-CE1 3.24Å; W3603-H3816 AromaticContact CZ3-NE2 3.57Å; W3603-H3816 AromaticContact NE1-CE1 3.36Å; W3603-H3816 PolarHBondContact NE1-CE1 3.41Å; W3603-H3816 AromaticContact NE1-NE2 3.43Å; W3603-H3816 PolarHBondContact NE1-NE2 2.86Å; W3603-H3816 PolarHBondContact O-CE1 2.94Å; W3603-H3816 PolarHBondContact O-ND1 2.82Å | ||
| 3604 | M | 72.8 | Confident | 86.4 | Confident | 83.75 Ų | 83.75 | 32.8 Ų | 32.8 | 41% | 0.413 | 16% | 0.155 | S | C | . | . | trans | -110.6 | 29.7 | 177 | -67.9 | -162 | -43.7 | 0 | 0 | 112.9 | E3599 N3602 H3816 | E3599-M3604 WeakPolarHBondContact OE2-CE 3.32Å; N3602-M3604 VanDerWaalsContact CG-CG 3.46Å; N3602-M3604 WeakPolarHBondContact ND2-CE 3.23Å; N3602-M3604 VanDerWaalsContact ND2-CG 3.33Å; N3602-M3604 WeakPolarHBondContact ND2-CG 3.4Å; N3602-M3604 PolarHBondContact ND2-SD 3.34Å; N3602-M3604 VanDerWaalsContact ND2-SD 3.39Å; N3602-M3604 WeakPolarHBondContact OD1-CB 3.22Å; N3602-M3604 VanDerWaalsContact OD1-CG 3.29Å; N3602-M3604 WeakPolarHBondContact OD1-CG 3.33Å; N3602-M3604 PolarHBondContact OD1-N 3.13Å; M3604-H3816 VanDerWaalsContact C-ND1 3.29Å; M3604-H3816 WeakPolarHBondContact CA-ND1 3.42Å | ||
| 3605 | E | 84 | Confident | 87.2 | Confident | 38 Ų | 38 | 28.2 Ų | 28.2 | 18% | 0.178 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -142.4 | 147.1 | -174.8 | -60.1 | -68 | 172.5 | 0 | 0 | 109.4 | M3589 Q3591 W3603 H3816 | M3589-E3605 HydrophobicContact CE-CB 4.5Å; M3589-E3605 WeakPolarHBondContact CE-O 3.36Å; Q3591-E3605 HydrophobicContact CB-CG 4.04Å; Q3591-E3605 HydrophobicContact CG-CG 4.42Å; Q3591-E3605 WeakPolarHBondContact CG-OE2 3.42Å; Q3591-E3605 VanDerWaalsContact NE2-CD 3.31Å; Q3591-E3605 PolarHBondContact NE2-OE1 3.11Å; Q3591-E3605 PolarHBondContact NE2-OE2 3.03Å; W3603-E3605 PolarHBondContact NE1-O 2.32Å; W3603-E3605 VanDerWaalsContact NE1-O 3.08Å; W3603-E3605 PolarHBondContact O-N 2.85Å; E3605-H3816 VanDerWaalsContact C-CD2 3.45Å; E3605-H3816 PolarHBondContact N-ND1 2.74Å; E3605-H3816 PolarHBondContact O-NE2 2.8Å |
| 3606 | D | 89.2 | Confident | 87.9 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 155.8 | 173.1 | -57.6 | -76 | 0 | 0 | 0 | 110.8 | R3529 S3590 D3643 H3816 M3828 | R3529-D3606 IonicContact CZ-OD2 3.33Å; R3529-D3606 IonicContact NE-OD2 3.35Å; R3529-D3606 PolarHBondContact NE-OD2 3.33Å; R3529-D3606 IonicContact NH2-OD1 3.94Å; R3529-D3606 IonicContact NH2-OD2 3.12Å; R3529-D3606 PolarHBondContact NH2-OD2 3.06Å; S3590-D3606 WeakPolarHBondContact CB-O 3.39Å; S3590-D3606 PolarHBondContact N-O 2.85Å; S3590-D3606 PolarHBondContact OG-O 2.91Å; D3606-D3643 WeakPolarHBondContact CA-OD2 3.34Å; D3606-H3816 PolarHBondContact N-CD2 2.95Å; D3606-H3816 IonicContact OD1-CD2 3.16Å; D3606-M3828 HydrophobicContact CB-CE 3.76Å; D3606-M3828 HydrophobicContact CB-SD 4.07Å; D3606-M3828 WeakPolarHBondContact OD1-CB 3.33Å |
| 3607 | F | 93 | Very high | 88.8 | Confident | 3.5 Ų | 3.5 | 28.7 Ų | 28.7 | 2% | 0.015 | 14% | 0.143 | C | C | . | . | B | Isolated β-bridge | trans | -66 | 152.8 | 169.9 | 64.7 | -90.1 | 0 | 0 | 0 | 112.3 | G3528 F3588 S3590 D3643 G3644 F3646 P3813 M3828 T3830 M3832 | G3528-F3607 WeakPolarHBondContact CA-O 3.46Å; F3588-F3607 CarbonylContact O-C 3.49Å; F3588-F3607 WeakPolarHBondContact O-CA 3.34Å; S3590-F3607 PolarHBondContact OG-O 3.18Å; F3607-D3643 HydrophobicContact CD1-CB 4.12Å; F3607-G3644 VanDerWaalsContact CB-O 3.27Å; F3607-G3644 WeakPolarHBondContact CB-O 3.37Å; F3607-G3644 VanDerWaalsContact CD1-N 3.31Å; F3607-F3646 HydrophobicContact CD2-CE2 4.24Å; F3607-F3646 HydrophobicContact CD2-CZ 4.29Å; F3607-P3813 HydrophobicContact CD1-CB 4.32Å; F3607-P3813 HydrophobicContact CE1-CB 3.96Å; F3607-P3813 HydrophobicContact CE1-CG 4.04Å; F3607-M3828 HydrophobicContact CD1-CE 3.72Å; F3607-M3828 HydrophobicContact CD2-CE 4.08Å; F3607-M3828 HydrophobicContact CE1-CE 3.45Å; F3607-M3828 VanDerWaalsContact CE1-CE 3.45Å; F3607-M3828 HydrophobicContact CE2-CE 3.81Å; F3607-M3828 HydrophobicContact CG-CE 4.05Å; F3607-M3828 HydrophobicContact CZ-CE 3.51Å; F3607-M3828 VanDerWaalsContact CZ-CE 3.49Å; F3607-T3830 HydrophobicContact CE2-CG2 3.77Å; F3607-T3830 HydrophobicContact CZ-CG2 3.7Å; F3607-T3830 WeakPolarHBondContact CZ-O 3.34Å; F3607-M3832 HydrophobicContact CD2-CE 3.56Å; F3607-M3832 HydrophobicContact CE2-CE 3.57Å; F3607-M3832 HydrophobicContact CG-CE 4.13Å; F3607-M3832 HydrophobicContact CZ-CE 4.1Å; F3607-M3832 HydrophobicContact CZ-CG 4.45Å |
| 3608 | S | 93.7 | Very high | 90 | Very high | 1.25 Ų | 1.25 | 24.7 Ų | 24.7 | 1% | 0.009 | 13% | 0.125 | C | C | . | . | P | Polyproline II helix | trans | -75.6 | 152.4 | 171.8 | -68.1 | 0 | 0 | 0 | 0 | 111.3 | P3526 F3588 M3589 G3610 F3646 | P3526-S3608 WeakPolarHBondContact O-CB 3.47Å; P3526-S3608 PolarHBondContact O-OG 2.92Å; P3526-S3608 VanDerWaalsContact O-OG 3.05Å; F3588-S3608 PolarHBondContact O-N 2.73Å; M3589-S3608 VanDerWaalsContact C-OG 3.25Å; M3589-S3608 PolarHBondContact O-OG 2.93Å; S3608-G3610 PolarHBondContact O-N 3.09Å; S3608-F3646 WeakPolarHBondContact O-CE2 3.24Å; S3608-F3646 WeakPolarHBondContact O-CZ 3.3Å |
| 3609 | N | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -76.9 | 50.5 | 178.9 | -61.1 | -32.2 | 0 | 0 | 0 | 113.7 | G3528 S3534 E3781 R3856 | G3528-N3609 PolarHBondContact O-ND2 3.04Å; S3534-N3609 PolarHBondContact N-O 2.99Å; N3609-E3781 PolarHBondContact ND2-OE1 3.05Å; N3609-E3781 VanDerWaalsContact ND2-OE1 3.16Å; N3609-R3856 PolarHBondContact O-NH2 2.97Å |
| 3610 | G | 93.4 | Very high | 91.9 | Very high | 1.25 Ų | 1.25 | 21.7 Ų | 21.7 | 1% | 0.013 | 11% | 0.109 | C | C | . | . | trans | 152.8 | 151 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S3534 S3608 F3646 | S3534-G3610 WeakPolarHBondContact CB-O 3.29Å; S3534-G3610 WeakPolarHBondContact O-CA 3.35Å; S3534-G3610 PolarHBondContact OG-O 2.8Å; S3608-G3610 PolarHBondContact O-N 3.09Å; G3610-F3646 VanDerWaalsContact CA-CZ 3.42Å | ||
| 3611 | G | 94.5 | Very high | 92.4 | Very high | 1.75 Ų | 1.75 | 21.5 Ų | 21.5 | 2% | 0.018 | 11% | 0.108 | C | C | . | . | trans | 171.6 | 157.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | K3536 F3588 F3646 Q3859 | K3536-G3611 WeakPolarHBondContact O-CA 3.39Å; F3588-G3611 VanDerWaalsContact CD1-CA 3.48Å; G3611-F3646 VanDerWaalsContact O-CB 3.24Å; G3611-F3646 WeakPolarHBondContact O-CB 3.32Å; G3611-F3646 VanDerWaalsContact O-CD1 3.3Å; G3611-F3646 WeakPolarHBondContact O-CD1 3.41Å; G3611-F3646 VanDerWaalsContact O-CG 3.29Å; G3611-F3646 WeakPolarHBondContact O-CG 3.38Å; G3611-Q3859 PolarHBondContact O-OE1 3.15Å | ||
| 3612 | A | 96.1 | Very high | 92.8 | Very high | 0.25 Ų | 0.25 | 20.6 Ų | 20.6 | 0% | 0.002 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161 | 141.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | K3536 T3537 F3538 F3588 Y3614 Y3649 Q3859 | K3536-A3612 PolarHBondContact O-N 2.68Å; T3537-A3612 VanDerWaalsContact CA-O 3.29Å; T3537-A3612 WeakPolarHBondContact CA-O 3.34Å; F3538-A3612 PolarHBondContact N-O 3.03Å; F3538-A3612 VanDerWaalsContact N-O 3.08Å; F3588-A3612 VanDerWaalsContact CZ-N 3.31Å; F3588-A3612 VanDerWaalsContact CZ-O 3.32Å; F3588-A3612 WeakPolarHBondContact CZ-O 3.43Å; A3612-Y3614 HydrophobicContact CB-CD2 4.25Å; A3612-Y3614 HydrophobicContact CB-CE2 3.51Å; A3612-Y3649 HydrophobicContact CB-CE2 4.2Å; A3612-Q3859 HydrophobicContact CB-CG 4.07Å |
| 3613 | A | 98.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.017 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 128.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | F3538 A3586 L3615 P3647 T3648 Y3649 | F3538-A3613 HydrophobicContact CB-CB 4.32Å; F3538-A3613 HydrophobicContact CD1-CB 4.02Å; F3538-A3613 CarbonylContact O-C 3.49Å; F3538-A3613 WeakPolarHBondContact O-CA 3.17Å; A3586-A3613 HydrophobicContact CB-CB 3.95Å; A3613-L3615 HydrophobicContact CB-CD1 4.01Å; A3613-P3647 PolarHBondContact N-O 2.76Å; A3613-P3647 VanDerWaalsContact N-O 3.1Å; A3613-T3648 HydrophobicContact CB-CG2 4.09Å; A3613-T3648 CarbonylContact O-C 3.28Å; A3613-T3648 WeakPolarHBondContact O-CA 3.32Å; A3613-Y3649 WeakPolarHBondContact O-CD2 3.29Å; A3613-Y3649 PolarHBondContact O-N 2.97Å |
| 3614 | Y | 98.1 | Very high | 94.3 | Very high | 81 Ų | 81 | 17.8 Ų | 17.8 | 32% | 0.318 | 9% | 0.091 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 115.9 | 177.7 | -59.9 | -85.6 | 0 | 0 | 0 | 110.1 | T3537 F3538 L3539 F3540 A3612 Y3649 Q3859 | T3537-Y3614 HydrophobicContact CG2-CD2 4.3Å; T3537-Y3614 HydrophobicContact CG2-CE2 3.91Å; F3538-Y3614 PolarHBondContact O-N 2.93Å; L3539-Y3614 CarbonylContact C-O 3.52Å; L3539-Y3614 WeakPolarHBondContact CA-O 3.33Å; L3539-Y3614 HydrophobicContact CD2-CD2 3.62Å; L3539-Y3614 HydrophobicContact CD2-CG 4.1Å; F3540-Y3614 PolarHBondContact N-O 3.09Å; A3612-Y3614 HydrophobicContact CB-CD2 4.25Å; A3612-Y3614 HydrophobicContact CB-CE2 3.51Å; Y3614-Y3649 AromaticContact CD1-CD2 3.78Å; Y3614-Y3649 HydrophobicContact CD1-CD2 3.78Å; Y3614-Y3649 HydrophobicContact CD1-CG 4.11Å; Y3614-Y3649 AromaticContact CE1-CD2 3.55Å; Y3614-Y3649 HydrophobicContact CE1-CD2 3.55Å; Y3614-Y3649 VanDerWaalsContact CE1-CD2 3.49Å; Y3614-Y3649 AromaticContact CE1-CE2 3.99Å; Y3614-Y3649 HydrophobicContact CE1-CE2 4.07Å; Y3614-Y3649 HydrophobicContact CE1-CG 4.08Å; Y3614-Q3859 WeakPolarHBondContact OH-CG 3.41Å |
| 3615 | L | 98.4 | Very high | 95.3 | Very high | 2.25 Ų | 2.25 | 17 Ų | 17 | 1% | 0.012 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 109.7 | -175.8 | -77.9 | 59 | 0 | 0 | 0 | 107.5 | F3538 F3540 M3583 A3613 L3618 T3648 Y3649 F3650 M3651 | F3538-L3615 HydrophobicContact CD1-CD1 4.32Å; F3538-L3615 HydrophobicContact CE1-CD1 4.26Å; F3540-L3615 HydrophobicContact CB-CD1 4.41Å; F3540-L3615 HydrophobicContact CB-CG 4.13Å; F3540-L3615 HydrophobicContact CD1-CG 4.38Å; F3540-L3615 CarbonylContact O-C 3.5Å; F3540-L3615 VanDerWaalsContact O-CA 3.31Å; F3540-L3615 WeakPolarHBondContact O-CA 3.31Å; M3583-L3615 HydrophobicContact CE-CD2 3.72Å; M3583-L3615 HydrophobicContact CE-CG 4.49Å; M3583-L3615 HydrophobicContact SD-CD2 3.47Å; M3583-L3615 WeakPolarHBondContact SD-CD2 3.31Å; M3583-L3615 HydrophobicContact SD-CG 4.47Å; A3613-L3615 HydrophobicContact CB-CD1 4.01Å; L3615-L3618 HydrophobicContact CB-CD1 3.77Å; L3615-L3618 HydrophobicContact CB-CG 4.43Å; L3615-L3618 HydrophobicContact CD2-CD1 4.07Å; L3615-L3618 HydrophobicContact CG-CD1 4.06Å; L3615-T3648 HydrophobicContact CD1-CG2 3.77Å; L3615-T3648 HydrophobicContact CD2-CG2 3.88Å; L3615-T3648 HydrophobicContact CG-CG2 4.43Å; L3615-Y3649 PolarHBondContact N-O 2.88Å; L3615-F3650 HydrophobicContact CB-CD1 3.91Å; L3615-F3650 HydrophobicContact CB-CE1 4.11Å; L3615-F3650 HydrophobicContact CB-CG 4.29Å; L3615-F3650 HydrophobicContact CD2-CD1 3.96Å; L3615-F3650 HydrophobicContact CD2-CD2 4.41Å; L3615-F3650 HydrophobicContact CD2-CE1 3.32Å; L3615-F3650 HydrophobicContact CD2-CE2 3.83Å; L3615-F3650 HydrophobicContact CD2-CG 4.47Å; L3615-F3650 HydrophobicContact CD2-CZ 3.25Å; L3615-F3650 HydrophobicContact CG-CE1 4.38Å; L3615-F3650 CarbonylContact O-C 3.55Å; L3615-F3650 VanDerWaalsContact O-CA 3.32Å; L3615-F3650 WeakPolarHBondContact O-CA 3.44Å; L3615-M3651 PolarHBondContact O-N 2.99Å |
| 3616 | S | 97.8 | Very high | 95.6 | Very high | 27 Ų | 27 | 19.2 Ų | 19.2 | 19% | 0.189 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142.4 | -172.7 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | F3540 N3541 N3542 L3618 M3651 | F3540-S3616 PolarHBondContact O-N 3.34Å; N3541-S3616 CarbonylContact C-O 3.53Å; N3541-S3616 VanDerWaalsContact CA-O 3.26Å; N3541-S3616 WeakPolarHBondContact CA-O 3.36Å; N3541-S3616 VanDerWaalsContact CG-OG 3.28Å; N3541-S3616 PolarHBondContact OD1-O 2.9Å; N3541-S3616 VanDerWaalsContact OD1-O 3.1Å; N3541-S3616 PolarHBondContact OD1-OG 3.06Å; N3542-S3616 PolarHBondContact N-O 2.94Å; N3542-S3616 VanDerWaalsContact N-O 3.09Å; S3616-L3618 VanDerWaalsContact C-N 3.25Å; S3616-L3618 PolarHBondContact O-N 3.07Å; S3616-M3651 CarbonylContact C-O 3.54Å; S3616-M3651 VanDerWaalsContact CA-O 3.23Å; S3616-M3651 WeakPolarHBondContact CA-O 3.33Å |
| 3617 | N | 97.7 | Very high | 95.6 | Very high | 83.5 Ų | 83.5 | 19.4 Ų | 19.4 | 45% | 0.447 | 11% | 0.105 | S | C | . | . | S | Bend | trans | 54.1 | 40.2 | 175 | -55.2 | -47.5 | 0 | 0 | 0 | 113.2 | N3541 N3542 M3651 G3652 | N3541-N3617 PolarHBondContact OD1-ND2 2.98Å; N3542-N3617 VanDerWaalsContact CA-O 3.3Å; N3542-N3617 WeakPolarHBondContact CA-O 3.4Å; N3542-N3617 WeakPolarHBondContact OD1-CB 3.44Å; N3542-N3617 PolarHBondContact OD1-ND2 3.1Å; N3542-N3617 VanDerWaalsContact OD1-ND2 3.09Å; N3617-M3651 PolarHBondContact N-O 3.08Å; N3617-G3652 WeakPolarHBondContact CA-O 3.34Å |
| 3618 | L | 98 | Very high | 95.1 | Very high | 0.5 Ų | 0.5 | 26.8 Ų | 26.8 | 0% | 0.003 | 15% | 0.145 | C | C | . | . | trans | -83.3 | 138.3 | 177.4 | -60 | -171.2 | 0 | 0 | 0 | 110.5 | F3540 S3543 L3545 M3583 L3615 S3616 I3620 F3650 T3653 K3654 | F3540-L3618 HydrophobicContact CD1-CD1 3.93Å; F3540-L3618 HydrophobicContact CD1-CD2 3.94Å; F3540-L3618 HydrophobicContact CD2-CD2 4.46Å; F3540-L3618 HydrophobicContact CE1-CD1 4.19Å; F3540-L3618 HydrophobicContact CE1-CD2 4.08Å; F3540-L3618 HydrophobicContact CG-CD2 4.16Å; F3540-L3618 HydrophobicContact CZ-CD2 4.43Å; S3543-L3618 CarbonylContact O-C 3.22Å; S3543-L3618 WeakPolarHBondContact O-CA 3.44Å; L3545-L3618 HydrophobicContact CD1-CD1 4.39Å; M3583-L3618 HydrophobicContact CE-CD1 4.41Å; L3615-L3618 HydrophobicContact CB-CD1 3.77Å; L3615-L3618 HydrophobicContact CB-CG 4.43Å; L3615-L3618 HydrophobicContact CD2-CD1 4.07Å; L3615-L3618 HydrophobicContact CG-CD1 4.06Å; S3616-L3618 VanDerWaalsContact C-N 3.25Å; S3616-L3618 PolarHBondContact O-N 3.07Å; L3618-I3620 HydrophobicContact CB-CD1 4.47Å; L3618-I3620 HydrophobicContact CB-CG1 4.32Å; L3618-F3650 HydrophobicContact CD1-CD1 4.44Å; L3618-F3650 HydrophobicContact CD1-CE1 4.22Å; L3618-T3653 HydrophobicContact CB-CG2 4.21Å; L3618-T3653 CarbonylContact O-C 3.43Å; L3618-T3653 VanDerWaalsContact O-CA 3.28Å; L3618-T3653 WeakPolarHBondContact O-CA 3.36Å; L3618-K3654 PolarHBondContact O-N 3.21Å | ||
| 3619 | T | 98.4 | Very high | 94.5 | Very high | 7.5 Ų | 7.5 | 30.3 Ų | 30.3 | 5% | 0.046 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.2 | 162.8 | -58.9 | 0 | 0 | 0 | 0 | 108.2 | H3261 S3543 L3544 L3545 K3654 I3656 | H3261-T3619 PolarHBondContact CD2-OG1 2.82Å; H3261-T3619 VanDerWaalsContact CD2-OG1 3.29Å; S3543-T3619 PolarHBondContact O-N 2.87Å; L3544-T3619 CarbonylContact C-O 3.44Å; L3544-T3619 WeakPolarHBondContact CA-O 3.26Å; L3544-T3619 HydrophobicContact CD1-CG2 3.86Å; L3544-T3619 WeakPolarHBondContact CD1-O 3.43Å; L3545-T3619 PolarHBondContact N-O 3.21Å; T3619-K3654 CarbonylContact C-O 3.53Å; T3619-K3654 WeakPolarHBondContact CA-O 3.29Å; T3619-I3656 HydrophobicContact CG2-CD1 3.84Å |
| 3620 | I | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 122.1 | -177 | -56.5 | 172.9 | 0 | 0 | 0 | 107.7 | L3545 L3618 Y3623 V3634 F3650 T3653 K3654 T3655 I3656 V3658 L3699 | L3545-I3620 HydrophobicContact CB-CG1 4.39Å; L3545-I3620 HydrophobicContact CB-CG2 4.42Å; L3545-I3620 HydrophobicContact CD1-CD1 4.43Å; L3545-I3620 HydrophobicContact CD1-CG1 4.3Å; L3545-I3620 CarbonylContact O-C 3.54Å; L3545-I3620 VanDerWaalsContact O-CA 3.3Å; L3545-I3620 WeakPolarHBondContact O-CA 3.31Å; L3618-I3620 HydrophobicContact CB-CD1 4.47Å; L3618-I3620 HydrophobicContact CB-CG1 4.32Å; I3620-Y3623 HydrophobicContact CG2-CD2 3.62Å; I3620-Y3623 HydrophobicContact CG2-CE2 3.86Å; I3620-V3634 HydrophobicContact CD1-CG1 3.77Å; I3620-V3634 HydrophobicContact CG1-CG1 4.42Å; I3620-V3634 HydrophobicContact CG2-CB 4.47Å; I3620-V3634 HydrophobicContact CG2-CG1 4.03Å; I3620-V3634 HydrophobicContact CG2-CG2 3.56Å; I3620-F3650 HydrophobicContact CD1-CE1 4.5Å; I3620-T3653 HydrophobicContact CD1-CG2 3.55Å; I3620-T3653 VanDerWaalsContact CD1-CG2 3.5Å; I3620-T3653 HydrophobicContact CG1-CG2 4.11Å; I3620-K3654 PolarHBondContact N-O 2.93Å; I3620-T3655 CarbonylContact O-C 3.46Å; I3620-T3655 VanDerWaalsContact O-CA 3.3Å; I3620-T3655 WeakPolarHBondContact O-CA 3.29Å; I3620-I3656 PolarHBondContact O-N 3.19Å; I3620-V3658 HydrophobicContact CB-CG2 4.47Å; I3620-V3658 HydrophobicContact CG2-CG2 3.9Å; I3620-V3658 WeakPolarHBondContact O-CG2 3.37Å; I3620-L3699 HydrophobicContact CD1-CD1 3.75Å |
| 3621 | A | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 147.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y3258 L3545 V3546 G3547 Y3623 I3656 | Y3258-A3621 HydrophobicContact CD1-CB 3.46Å; Y3258-A3621 VanDerWaalsContact CD1-CB 3.46Å; Y3258-A3621 HydrophobicContact CE1-CB 3.87Å; Y3258-A3621 HydrophobicContact CG-CB 4.23Å; L3545-A3621 PolarHBondContact O-N 2.7Å; V3546-A3621 VanDerWaalsContact CA-O 3.31Å; V3546-A3621 WeakPolarHBondContact CA-O 3.29Å; V3546-A3621 HydrophobicContact CG1-CB 4.49Å; V3546-A3621 HydrophobicContact CG2-CB 4.23Å; G3547-A3621 PolarHBondContact N-O 2.97Å; A3621-Y3623 VanDerWaalsContact C-N 3.31Å; A3621-Y3623 VanDerWaalsContact O-CD2 3.25Å; A3621-Y3623 WeakPolarHBondContact O-CD2 3.24Å; A3621-Y3623 PolarHBondContact O-N 3.05Å; A3621-I3656 CarbonylContact C-O 3.56Å; A3621-I3656 WeakPolarHBondContact CA-O 3.18Å; A3621-I3656 HydrophobicContact CB-CB 3.99Å |
| 3622 | N | 96.6 | Very high | 94.3 | Very high | 26.75 Ų | 26.75 | 33.7 Ų | 33.7 | 14% | 0.143 | 19% | 0.193 | C | C | . | . | trans | 54.6 | 41.3 | 165.8 | -58.8 | -4 | 0 | 0 | 0 | 115.1 | V3546 G3547 H3548 I3626 I3656 S3657 | V3546-N3622 HydrophobicContact CG1-CB 4.2Å; G3547-N3622 WeakPolarHBondContact CA-O 3.29Å; H3548-N3622 PolarHBondContact N-O 3.2Å; H3548-N3622 VanDerWaalsContact N-O 3.1Å; H3548-N3622 WeakPolarHBondContact O-CB 3.26Å; H3548-N3622 PolarHBondContact O-ND2 3.19Å; N3622-I3626 HydrophobicContact CB-CD1 3.77Å; N3622-I3656 PolarHBondContact N-O 2.89Å; N3622-S3657 WeakPolarHBondContact CA-O 3.44Å; N3622-S3657 WeakPolarHBondContact OD1-CB 3.45Å | ||
| 3623 | Y | 96.2 | Very high | 94.4 | Very high | 6.25 Ų | 6.25 | 34.4 Ų | 34.4 | 3% | 0.025 | 20% | 0.196 | C | C | . | . | trans | -95.7 | 120.9 | 167 | -78.2 | -94.9 | 0 | 0 | 0 | 109 | L3545 G3582 I3620 A3621 D3632 Y3633 V3634 V3658 D3659 | L3545-Y3623 HydrophobicContact CB-CE2 3.99Å; G3582-Y3623 WeakPolarHBondContact CA-OH 3.19Å; I3620-Y3623 HydrophobicContact CG2-CD2 3.62Å; I3620-Y3623 HydrophobicContact CG2-CE2 3.86Å; A3621-Y3623 VanDerWaalsContact C-N 3.31Å; A3621-Y3623 VanDerWaalsContact O-CD2 3.25Å; A3621-Y3623 WeakPolarHBondContact O-CD2 3.24Å; A3621-Y3623 PolarHBondContact O-N 3.05Å; Y3623-D3632 HydrophobicContact CD1-CB 3.72Å; Y3623-D3632 HydrophobicContact CE1-CB 4.48Å; Y3623-D3632 HydrophobicContact CG-CB 4.46Å; Y3623-Y3633 VanDerWaalsContact CD1-C 3.42Å; Y3623-Y3633 WeakPolarHBondContact CD1-O 3.32Å; Y3623-Y3633 VanDerWaalsContact CE1-O 3.32Å; Y3623-Y3633 WeakPolarHBondContact CE1-O 3.34Å; Y3623-V3634 HydrophobicContact CD1-CB 4.46Å; Y3623-V3634 HydrophobicContact CD1-CG2 3.84Å; Y3623-V3634 HydrophobicContact CD2-CG2 3.67Å; Y3623-V3634 HydrophobicContact CE1-CG2 4.34Å; Y3623-V3634 HydrophobicContact CE2-CG2 4.19Å; Y3623-V3634 HydrophobicContact CG-CG2 3.47Å; Y3623-V3634 VanDerWaalsContact CG-CG2 3.45Å; Y3623-V3658 WeakPolarHBondContact O-CA 3.28Å; Y3623-D3659 PolarHBondContact O-N 2.88Å | ||
| 3624 | G | 94.4 | Very high | 94.3 | Very high | 6.25 Ų | 6.25 | 34.3 Ų | 34.3 | 6% | 0.064 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -179.3 | -130.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R3631 D3632 | G3624-R3631 WeakPolarHBondContact O-CA 3.42Å; G3624-D3632 PolarHBondContact N-OD2 3.12Å; G3624-D3632 PolarHBondContact O-N 3Å |
| 3625 | T | 93.2 | Very high | 94.3 | Very high | 68 Ų | 68 | 30.5 Ų | 30.5 | 42% | 0.417 | 18% | 0.181 | S | C | . | . | trans | -128.4 | 43 | 177.7 | 53.3 | 0 | 0 | 0 | 0 | 110.6 | C3627 K3630 R3631 | T3625-C3627 VanDerWaalsContact C-N 3.26Å; T3625-C3627 CarbonylContact O-C 3.5Å; T3625-C3627 PolarHBondContact O-N 2.86Å; T3625-K3630 WeakPolarHBondContact CA-O 3.34Å; T3625-R3631 HydrophobicContact CG2-CB 4.09Å; T3625-R3631 HydrophobicContact CG2-CG 4.31Å; T3625-R3631 VanDerWaalsContact CG2-NH2 3.29Å | ||
| 3626 | I | 91.9 | Very high | 94.2 | Very high | 83.75 Ų | 83.75 | 31.4 Ų | 31.4 | 43% | 0.429 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -59.3 | -40.9 | -179.1 | -69.5 | 169.8 | 0 | 0 | 0 | 109.9 | H3548 N3622 | H3548-I3626 HydrophobicContact CB-CB 4.23Å; H3548-I3626 HydrophobicContact CB-CD1 3.96Å; H3548-I3626 HydrophobicContact CB-CG2 4.18Å; H3548-I3626 WeakPolarHBondContact O-CD1 3.01Å; N3622-I3626 HydrophobicContact CB-CD1 3.77Å |
| 3627 | C | 89.4 | Confident | 94 | Very high | 4.75 Ų | 4.75 | 30.2 Ų | 30.2 | 3% | 0.032 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -86.3 | 115.2 | 168.7 | -64.7 | 0 | 0 | 0 | 0 | 110.2 | H3548 C3554 T3625 G3629 K3630 | H3548-C3627 PolarHBondContact CE1-SG 2.93Å; H3548-C3627 PolarHBondContact NE2-SG 2.76Å; H3548-C3627 VanDerWaalsContact NE2-SG 3.37Å; C3554-C3627 VanDerWaalsContact CA-SG 3.55Å; C3554-C3627 WeakPolarHBondContact CA-SG 3.19Å; C3554-C3627 HydrophobicContact CB-CB 3.73Å; C3554-C3627 WeakPolarHBondContact CB-SG 3.31Å; C3554-C3627 WeakPolarHBondContact SG-CA 3.26Å; C3554-C3627 WeakPolarHBondContact SG-CB 3.28Å; C3554-C3627 CovalentContact SG-SG 2.04Å; C3554-C3627 PolarHBondContact SG-SG 3.15Å; T3625-C3627 VanDerWaalsContact C-N 3.26Å; T3625-C3627 CarbonylContact O-C 3.5Å; T3625-C3627 PolarHBondContact O-N 2.86Å; C3627-G3629 PolarHBondContact O-N 2.9Å; C3627-G3629 VanDerWaalsContact O-N 3.12Å; C3627-K3630 HydrophobicContact CB-CB 4.06Å; C3627-K3630 HydrophobicContact CB-CD 3.97Å; C3627-K3630 HydrophobicContact CB-CG 4.24Å; C3627-K3630 WeakPolarHBondContact O-CB 3.02Å; C3627-K3630 PolarHBondContact O-N 3Å; C3627-K3630 VanDerWaalsContact O-O 3.09Å |
| 3628 | N | 82.3 | Confident | 93.7 | Very high | 159.5 Ų | 159.5 | 26.3 Ų | 26.3 | 85% | 0.853 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | 123.6 | -178.3 | -78 | -26.4 | 0 | 0 | 0 | 112 | K3630 | N3628-K3630 VanDerWaalsContact C-N 3.29Å; N3628-K3630 PolarHBondContact O-N 2.94Å |
| 3629 | G | 80.9 | Confident | 93 | Very high | 74.75 Ų | 74.75 | 29.2 Ų | 29.2 | 77% | 0.771 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | -0.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | C3627 | C3627-G3629 PolarHBondContact O-N 2.9Å; C3627-G3629 VanDerWaalsContact O-N 3.12Å |
| 3630 | K | 88.4 | Confident | 92.3 | Very high | 35.25 Ų | 35.25 | 30.4 Ų | 30.4 | 15% | 0.153 | 18% | 0.181 | C | C | . | . | trans | -118.9 | 123.6 | -179.9 | -49.5 | -176.4 | 170.4 | 177 | 0 | 108.8 | C3554 N3578 T3625 C3627 N3628 | C3554-K3630 PolarHBondContact O-NZ 2.98Å; N3578-K3630 HydrophobicContact CB-CB 4.27Å; N3578-K3630 HydrophobicContact CB-CD 4.25Å; N3578-K3630 HydrophobicContact CB-CG 3.9Å; N3578-K3630 VanDerWaalsContact O-CD 3.26Å; N3578-K3630 WeakPolarHBondContact O-CD 3.32Å; N3578-K3630 PolarHBondContact O-NZ 2.98Å; T3625-K3630 WeakPolarHBondContact CA-O 3.34Å; C3627-K3630 HydrophobicContact CB-CB 4.06Å; C3627-K3630 HydrophobicContact CB-CD 3.97Å; C3627-K3630 HydrophobicContact CB-CG 4.24Å; C3627-K3630 WeakPolarHBondContact O-CB 3.02Å; C3627-K3630 PolarHBondContact O-N 3Å; C3627-K3630 VanDerWaalsContact O-O 3.09Å; N3628-K3630 VanDerWaalsContact C-N 3.29Å; N3628-K3630 PolarHBondContact O-N 2.94Å | ||
| 3631 | R | 93.7 | Very high | 91.8 | Very high | 36 Ų | 36 | 30.6 Ų | 30.6 | 14% | 0.136 | 18% | 0.182 | C | C | . | . | trans | -108.1 | 121.8 | 179.6 | 178.7 | 170.8 | -71.7 | -82.4 | -3.4 | 111.1 | A3574 D3576 G3624 T3625 Y3633 D3659 S3662 K3763 | A3574-R3631 VanDerWaalsContact CB-O 3.28Å; A3574-R3631 WeakPolarHBondContact CB-O 3.39Å; D3576-R3631 PolarHBondContact OD2-N 2.83Å; G3624-R3631 WeakPolarHBondContact O-CA 3.42Å; T3625-R3631 HydrophobicContact CG2-CB 4.09Å; T3625-R3631 HydrophobicContact CG2-CG 4.31Å; T3625-R3631 VanDerWaalsContact CG2-NH2 3.29Å; R3631-Y3633 HydrophobicContact CB-CE2 4.19Å; R3631-Y3633 VanDerWaalsContact CD-OH 3.3Å; R3631-Y3633 WeakPolarHBondContact CD-OH 3.3Å; R3631-Y3633 HydrophobicContact CG-CD2 4.26Å; R3631-Y3633 HydrophobicContact CG-CE2 3.65Å; R3631-Y3633 WeakPolarHBondContact O-CD2 3.46Å; R3631-D3659 IonicContact CZ-OD2 3.25Å; R3631-D3659 IonicContact NH1-OD2 3.31Å; R3631-D3659 PolarHBondContact NH1-OD2 3.04Å; R3631-D3659 IonicContact NH2-OD2 3.22Å; R3631-D3659 PolarHBondContact NH2-OD2 3.15Å; R3631-D3659 VanDerWaalsContact NH2-OD2 3.14Å; R3631-S3662 WeakPolarHBondContact CG-OG 3.37Å; R3631-S3662 PolarHBondContact NH1-OG 3.05Å; R3631-K3763 VanDerWaalsContact NH2-NZ 3.16Å | ||
| 3632 | D | 95.4 | Very high | 91.4 | Very high | 1.5 Ų | 1.5 | 30.8 Ų | 30.8 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | trans | -80.2 | 154 | 175.4 | -43.5 | -47.2 | 0 | 0 | 0 | 110.5 | H3548 Y3580 Y3623 G3624 S3662 | H3548-D3632 IonicContact CD2-OD1 3.68Å; H3548-D3632 IonicContact CD2-OD2 3.24Å; H3548-D3632 PolarHBondContact CD2-OD2 3.15Å; H3548-D3632 VanDerWaalsContact CD2-OD2 3.3Å; H3548-D3632 IonicContact NE2-OD1 3.14Å; H3548-D3632 IonicContact NE2-OD2 2.92Å; Y3580-D3632 PolarHBondContact N-OD1 3.13Å; Y3580-D3632 CarbonylContact O-C 3.53Å; Y3580-D3632 WeakPolarHBondContact O-CA 3.25Å; Y3580-D3632 WeakPolarHBondContact O-CB 3.42Å; Y3623-D3632 HydrophobicContact CD1-CB 3.72Å; Y3623-D3632 HydrophobicContact CE1-CB 4.48Å; Y3623-D3632 HydrophobicContact CG-CB 4.46Å; G3624-D3632 PolarHBondContact N-OD2 3.12Å; G3624-D3632 PolarHBondContact O-N 3Å; D3632-S3662 WeakPolarHBondContact O-CB 3.19Å; D3632-S3662 PolarHBondContact O-OG 2.84Å | ||
| 3633 | Y | 96.8 | Very high | 91 | Very high | 15.5 Ų | 15.5 | 29.5 Ų | 29.5 | 6% | 0.061 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 136.6 | 173.4 | -73.6 | -88.2 | 0 | 0 | 0 | 111.7 | A3574 P3575 Y3580 L3581 G3582 Y3623 R3631 D3661 S3662 Y3665 K3763 | A3574-Y3633 HydrophobicContact CB-CD2 4.12Å; P3575-Y3633 VanDerWaalsContact CD-CD2 3.44Å; P3575-Y3633 HydrophobicContact CG-CD2 4.25Å; P3575-Y3633 HydrophobicContact CG-CE2 4.01Å; Y3580-Y3633 PolarHBondContact O-N 2.96Å; L3581-Y3633 CarbonylContact C-O 3.52Å; L3581-Y3633 VanDerWaalsContact CA-O 3.31Å; L3581-Y3633 WeakPolarHBondContact CA-O 3.36Å; L3581-Y3633 WeakPolarHBondContact CD1-O 3.32Å; G3582-Y3633 PolarHBondContact N-O 2.89Å; Y3623-Y3633 VanDerWaalsContact CD1-C 3.42Å; Y3623-Y3633 WeakPolarHBondContact CD1-O 3.32Å; Y3623-Y3633 VanDerWaalsContact CE1-O 3.32Å; Y3623-Y3633 WeakPolarHBondContact CE1-O 3.34Å; R3631-Y3633 HydrophobicContact CB-CE2 4.19Å; R3631-Y3633 VanDerWaalsContact CD-OH 3.3Å; R3631-Y3633 WeakPolarHBondContact CD-OH 3.3Å; R3631-Y3633 HydrophobicContact CG-CD2 4.26Å; R3631-Y3633 HydrophobicContact CG-CE2 3.65Å; R3631-Y3633 WeakPolarHBondContact O-CD2 3.46Å; Y3633-D3661 VanDerWaalsContact CE1-O 3.28Å; Y3633-D3661 WeakPolarHBondContact CE1-O 3.31Å; Y3633-S3662 CarbonylContact C-O 3.58Å; Y3633-S3662 VanDerWaalsContact CA-O 3.22Å; Y3633-S3662 WeakPolarHBondContact CA-O 3.25Å; Y3633-Y3665 AromaticContact CE1-CD2 3.95Å; Y3633-Y3665 HydrophobicContact CE1-CD2 3.97Å; Y3633-Y3665 HydrophobicContact CE1-CG 4.32Å; Y3633-Y3665 HydrophobicContact CE2-CD2 4.44Å; Y3633-Y3665 AromaticContact CZ-CD2 3.88Å; Y3633-K3763 PolarHBondContact OH-O 2.97Å; Y3633-K3763 VanDerWaalsContact OH-O 3.07Å |
| 3634 | V | 97.4 | Very high | 90.5 | Very high | 0.5 Ų | 0.5 | 29.6 Ų | 29.6 | 0% | 0.003 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | -47 | 176.1 | 176.6 | 0 | 0 | 0 | 0 | 110.1 | L3545 G3582 M3583 I3620 Y3623 V3658 S3662 I3663 | L3545-V3634 HydrophobicContact CD1-CG1 4.34Å; G3582-V3634 CarbonylContact C-O 3.34Å; G3582-V3634 VanDerWaalsContact CA-O 3.3Å; G3582-V3634 WeakPolarHBondContact CA-O 3.33Å; G3582-V3634 PolarHBondContact N-O 2.75Å; M3583-V3634 PolarHBondContact N-O 3.04Å; I3620-V3634 HydrophobicContact CD1-CG1 3.77Å; I3620-V3634 HydrophobicContact CG1-CG1 4.42Å; I3620-V3634 HydrophobicContact CG2-CB 4.47Å; I3620-V3634 HydrophobicContact CG2-CG1 4.03Å; I3620-V3634 HydrophobicContact CG2-CG2 3.56Å; Y3623-V3634 HydrophobicContact CD1-CB 4.46Å; Y3623-V3634 HydrophobicContact CD1-CG2 3.84Å; Y3623-V3634 HydrophobicContact CD2-CG2 3.67Å; Y3623-V3634 HydrophobicContact CE1-CG2 4.34Å; Y3623-V3634 HydrophobicContact CE2-CG2 4.19Å; Y3623-V3634 HydrophobicContact CG-CG2 3.47Å; Y3623-V3634 VanDerWaalsContact CG-CG2 3.45Å; V3634-V3658 HydrophobicContact CG2-CG1 4.4Å; V3634-S3662 PolarHBondContact N-O 2.98Å; V3634-I3663 WeakPolarHBondContact CB-O 3.27Å |
| 3635 | W | 97.1 | Very high | 90.3 | Very high | 1.25 Ų | 1.25 | 29.5 Ų | 29.5 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 135.5 | -174.5 | -173.1 | 103.6 | 0 | 0 | 0 | 110.8 | M3583 T3585 T3637 I3663 V3664 Y3665 Y3666 V3690 V3692 | M3583-W3635 HydrophobicContact CG-CB 4.27Å; M3583-W3635 HydrophobicContact CG-CG 4.19Å; M3583-W3635 WeakPolarHBondContact O-CA 3.28Å; M3583-W3635 VanDerWaalsContact SD-CD1 3.6Å; T3585-W3635 WeakPolarHBondContact OG1-CZ2 3.36Å; W3635-T3637 HydrophobicContact CH2-CG2 3.87Å; W3635-T3637 HydrophobicContact CZ3-CG2 3.9Å; W3635-I3663 PolarHBondContact N-O 2.95Å; W3635-V3664 HydrophobicContact CB-CG2 4.21Å; W3635-V3664 HydrophobicContact CD2-CG2 4.34Å; W3635-V3664 HydrophobicContact CE3-CB 4.32Å; W3635-V3664 HydrophobicContact CE3-CG1 3.74Å; W3635-V3664 HydrophobicContact CE3-CG2 4.09Å; W3635-V3664 HydrophobicContact CG-CG2 4.39Å; W3635-V3664 HydrophobicContact CZ3-CG1 3.99Å; W3635-V3664 CarbonylContact O-C 3.5Å; W3635-V3664 VanDerWaalsContact O-CA 3.3Å; W3635-V3664 WeakPolarHBondContact O-CA 3.34Å; W3635-Y3665 PolarHBondContact O-N 2.98Å; W3635-Y3666 HydrophobicContact CE3-CD1 4.49Å; W3635-Y3666 HydrophobicContact CE3-CE1 4.18Å; W3635-Y3666 HydrophobicContact CH2-CE1 4.01Å; W3635-Y3666 AromaticContact CZ3-CD1 3.7Å; W3635-Y3666 HydrophobicContact CZ3-CD1 3.7Å; W3635-Y3666 AromaticContact CZ3-CE1 3.41Å; W3635-Y3666 HydrophobicContact CZ3-CE1 3.41Å; W3635-Y3666 VanDerWaalsContact CZ3-CE1 3.41Å; W3635-Y3666 HydrophobicContact CZ3-CE2 4.4Å; W3635-V3690 HydrophobicContact CH2-CG1 3.77Å; W3635-V3690 HydrophobicContact CZ2-CG1 4.34Å; W3635-V3690 HydrophobicContact CZ3-CG1 4.33Å; W3635-V3692 HydrophobicContact CD2-CG2 4.04Å; W3635-V3692 HydrophobicContact CE3-CG2 4Å; W3635-V3692 HydrophobicContact CH2-CG2 3.72Å; W3635-V3692 HydrophobicContact CZ2-CG2 3.74Å; W3635-V3692 HydrophobicContact CZ3-CG2 3.86Å |
| 3636 | R | 95.7 | Very high | 90.4 | Very high | 21.5 Ų | 21.5 | 26.3 Ų | 26.3 | 8% | 0.081 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 147.6 | 176.8 | -167.5 | -168.6 | 173.9 | 165.2 | 3.9 | 111 | T3573 A3574 L3581 M3583 T3584 T3585 T3639 Y3665 D3667 | T3573-R3636 PolarHBondContact O-NH1 3.28Å; A3574-R3636 VanDerWaalsContact C-NH1 3.29Å; A3574-R3636 PolarHBondContact O-NH1 2.86Å; L3581-R3636 HydrophobicContact CD1-CB 3.63Å; L3581-R3636 HydrophobicContact CD2-CB 4.34Å; M3583-R3636 PolarHBondContact O-N 3.09Å; T3584-R3636 CarbonylContact C-O 3.5Å; T3584-R3636 WeakPolarHBondContact CA-O 3.33Å; T3585-R3636 PolarHBondContact N-O 2.99Å; R3636-T3639 VanDerWaalsContact CZ-OG1 3.24Å; R3636-T3639 PolarHBondContact NE-OG1 2.97Å; R3636-T3639 PolarHBondContact NH2-OG1 2.99Å; R3636-Y3665 WeakPolarHBondContact CA-O 3.3Å; R3636-Y3665 HydrophobicContact CG-CD1 3.89Å; R3636-Y3665 HydrophobicContact CG-CG 4.49Å; R3636-D3667 WeakPolarHBondContact CG-OD2 3.02Å; R3636-D3667 IonicContact CZ-OD1 3.52Å; R3636-D3667 IonicContact CZ-OD2 3.46Å; R3636-D3667 IonicContact NE-OD1 3.45Å; R3636-D3667 PolarHBondContact NE-OD1 3.02Å; R3636-D3667 VanDerWaalsContact NE-OD1 3.16Å; R3636-D3667 IonicContact NE-OD2 3.06Å; R3636-D3667 PolarHBondContact NE-OD2 3.11Å; R3636-D3667 VanDerWaalsContact NE-OD2 3.13Å; R3636-D3667 IonicContact NH2-OD1 2.99Å; R3636-D3667 PolarHBondContact NH2-OD1 3.05Å; R3636-D3667 IonicContact NH2-OD2 3.47Å |
| 3637 | T | 95.1 | Very high | 90.6 | Very high | 0.5 Ų | 0.5 | 22.4 Ų | 22.4 | 0% | 0.003 | 14% | 0.138 | C | C | . | . | trans | -59.5 | 155.2 | 162.3 | 44.2 | 0 | 0 | 0 | 0 | 111.4 | W3635 T3639 Y3665 Y3666 D3667 L3687 V3690 | W3635-T3637 HydrophobicContact CH2-CG2 3.87Å; W3635-T3637 HydrophobicContact CZ3-CG2 3.9Å; T3637-T3639 PolarHBondContact O-N 3.09Å; T3637-Y3665 PolarHBondContact N-O 2.96Å; T3637-Y3665 VanDerWaalsContact N-O 3.09Å; T3637-Y3666 HydrophobicContact CG2-CD1 3.94Å; T3637-Y3666 HydrophobicContact CG2-CE1 4.35Å; T3637-Y3666 HydrophobicContact CG2-CG 4.39Å; T3637-D3667 VanDerWaalsContact O-OD2 3.07Å; T3637-D3667 WeakPolarHBondContact OG1-CB 3.34Å; T3637-D3667 PolarHBondContact OG1-N 3.05Å; T3637-D3667 PolarHBondContact OG1-OD2 3.12Å; T3637-L3687 HydrophobicContact CG2-CD2 4.06Å; T3637-V3690 HydrophobicContact CG2-CB 4.46Å; T3637-V3690 HydrophobicContact CG2-CG1 4.26Å; T3637-V3690 HydrophobicContact CG2-CG2 4.06Å | ||
| 3638 | A | 90.8 | Very high | 91 | Very high | 2.25 Ų | 2.25 | 22.3 Ų | 22.3 | 2% | 0.019 | 14% | 0.137 | C | C | . | . | trans | -79.2 | 110.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y3520 T3585 Q3587 S3640 N3641 | Y3520-A3638 HydrophobicContact CE2-CB 4.08Å; T3585-A3638 HydrophobicContact CG2-CB 4.15Å; Q3587-A3638 VanDerWaalsContact NE2-CB 3.28Å; A3638-S3640 PolarHBondContact O-N 2.98Å; A3638-S3640 VanDerWaalsContact O-N 3.08Å; A3638-N3641 HydrophobicContact CB-CB 4.33Å; A3638-N3641 PolarHBondContact O-N 3.24Å; A3638-N3641 VanDerWaalsContact O-N 3.09Å | ||
| 3639 | T | 82.7 | Confident | 91.7 | Very high | 62.25 Ų | 62.25 | 15.3 Ų | 15.3 | 38% | 0.382 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -32.3 | -174.7 | 27.4 | 0 | 0 | 0 | 0 | 114.3 | R3636 T3637 D3667 | R3636-T3639 VanDerWaalsContact CZ-OG1 3.24Å; R3636-T3639 PolarHBondContact NE-OG1 2.97Å; R3636-T3639 PolarHBondContact NH2-OG1 2.99Å; T3637-T3639 PolarHBondContact O-N 3.09Å; T3639-D3667 HydrophobicContact CG2-CB 4.26Å; T3639-D3667 VanDerWaalsContact CG2-OD1 3.24Å; T3639-D3667 WeakPolarHBondContact CG2-OD1 3.31Å; T3639-D3667 WeakPolarHBondContact CG2-OD2 3.22Å; T3639-D3667 PolarHBondContact OG1-OD1 2.86Å; T3639-D3667 PolarHBondContact OG1-OD2 2.96Å; T3639-D3667 VanDerWaalsContact OG1-OD2 3.1Å |
| 3640 | S | 83.7 | Confident | 92.5 | Very high | 32.25 Ų | 32.25 | 11.8 Ų | 11.8 | 23% | 0.226 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -27.4 | -178.4 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | L3601 W3603 A3638 E3642 | L3601-S3640 WeakPolarHBondContact O-CB 3.2Å; L3601-S3640 PolarHBondContact O-OG 2.97Å; W3603-S3640 WeakPolarHBondContact CB-O 3.27Å; W3603-S3640 VanDerWaalsContact CD1-C 3.48Å; W3603-S3640 VanDerWaalsContact CD2-O 3.29Å; W3603-S3640 VanDerWaalsContact CG-O 3.22Å; W3603-S3640 PolarHBondContact NE1-O 2.78Å; A3638-S3640 PolarHBondContact O-N 2.98Å; A3638-S3640 VanDerWaalsContact O-N 3.08Å; S3640-E3642 PolarHBondContact O-N 3Å |
| 3641 | N | 88.9 | Confident | 93 | Very high | 3.25 Ų | 3.25 | 15.2 Ų | 15.2 | 2% | 0.017 | 8% | 0.08 | C | C | . | . | trans | -90.1 | 108 | -176 | -175.8 | 5.9 | 0 | 0 | 0 | 111.2 | Q3587 M3589 W3603 A3638 D3643 L3687 | Q3587-N3641 VanDerWaalsContact OE1-CB 3.28Å; Q3587-N3641 PolarHBondContact OE1-ND2 3.24Å; M3589-N3641 PolarHBondContact SD-ND2 3.33Å; M3589-N3641 VanDerWaalsContact SD-ND2 3.42Å; W3603-N3641 HydrophobicContact CB-CB 4.28Å; W3603-N3641 HydrophobicContact CD2-CB 4.31Å; W3603-N3641 VanDerWaalsContact CE2-OD1 3.25Å; W3603-N3641 HydrophobicContact CG-CB 4.2Å; W3603-N3641 PolarHBondContact NE1-OD1 2.87Å; A3638-N3641 HydrophobicContact CB-CB 4.33Å; A3638-N3641 PolarHBondContact O-N 3.24Å; A3638-N3641 VanDerWaalsContact O-N 3.09Å; N3641-D3643 WeakPolarHBondContact OD1-CB 3.31Å; N3641-D3643 PolarHBondContact OD1-N 3.02Å; N3641-L3687 WeakPolarHBondContact O-CD2 3.31Å | ||
| 3642 | E | 87.9 | Confident | 93.1 | Very high | 3.75 Ų | 3.75 | 14.6 Ų | 14.6 | 2% | 0.018 | 9% | 0.085 | C | C | . | . | trans | -104.6 | 12.4 | 176.6 | -46.7 | -165 | 143.9 | 0 | 0 | 114.1 | W3603 S3640 P3669 N3670 N3673 C3684 G3686 L3687 | W3603-E3642 HydrophobicContact CE3-CB 4.36Å; W3603-E3642 HydrophobicContact CE3-CG 4.42Å; W3603-E3642 VanDerWaalsContact CE3-N 3.29Å; W3603-E3642 HydrophobicContact CH2-CB 3.63Å; W3603-E3642 HydrophobicContact CH2-CG 4.31Å; W3603-E3642 HydrophobicContact CZ2-CB 4.22Å; W3603-E3642 HydrophobicContact CZ2-CG 4Å; W3603-E3642 HydrophobicContact CZ3-CB 3.72Å; W3603-E3642 VanDerWaalsContact CZ3-CB 3.4Å; W3603-E3642 HydrophobicContact CZ3-CG 4.01Å; S3640-E3642 PolarHBondContact O-N 3Å; E3642-P3669 WeakPolarHBondContact OE1-CA 3.38Å; E3642-N3670 WeakPolarHBondContact OE1-CA 3.3Å; E3642-N3670 WeakPolarHBondContact OE1-CB 3.43Å; E3642-N3670 PolarHBondContact OE1-N 3.19Å; E3642-N3673 PolarHBondContact OE1-ND2 3.2Å; E3642-N3673 WeakPolarHBondContact OE2-CB 3.31Å; E3642-N3673 PolarHBondContact OE2-ND2 2.9Å; E3642-C3684 HydrophobicContact CB-CB 3.5Å; E3642-C3684 VanDerWaalsContact CB-CB 3.45Å; E3642-C3684 HydrophobicContact CG-CB 4.43Å; E3642-C3684 WeakPolarHBondContact O-CB 3.38Å; E3642-C3684 WeakPolarHBondContact OE2-CB 2.97Å; E3642-C3684 PolarHBondContact OE2-SG 3.08Å; E3642-C3684 VanDerWaalsContact OE2-SG 3.33Å; E3642-G3686 VanDerWaalsContact O-CA 3.24Å; E3642-G3686 WeakPolarHBondContact O-CA 3.18Å; E3642-G3686 PolarHBondContact O-N 3Å; E3642-L3687 HydrophobicContact CG-CD1 4.22Å | ||
| 3643 | D | 88.6 | Confident | 93.2 | Very high | 0.75 Ų | 0.75 | 14.8 Ų | 14.8 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -96.6 | -177.9 | 173.6 | -95.1 | -1 | 0 | 0 | 0 | 112.4 | W3603 D3606 F3607 N3641 V3645 G3686 P3813 S3814 H3816 | W3603-D3643 HydrophobicContact CE3-CB 4.11Å; W3603-D3643 HydrophobicContact CH2-CB 4.28Å; W3603-D3643 HydrophobicContact CZ2-CB 3.51Å; W3603-D3643 WeakPolarHBondContact CZ2-OD1 3.34Å; W3603-D3643 VanDerWaalsContact CZ2-OD2 3.25Å; W3603-D3643 WeakPolarHBondContact CZ2-OD2 3.41Å; W3603-D3643 HydrophobicContact CZ3-CB 3.95Å; W3603-D3643 VanDerWaalsContact CZ3-CG 3.44Å; W3603-D3643 WeakPolarHBondContact CZ3-OD1 3.02Å; W3603-D3643 PolarHBondContact NE1-OD2 2.65Å; D3606-D3643 WeakPolarHBondContact CA-OD2 3.34Å; F3607-D3643 HydrophobicContact CD1-CB 4.12Å; N3641-D3643 WeakPolarHBondContact OD1-CB 3.31Å; N3641-D3643 PolarHBondContact OD1-N 3.02Å; D3643-V3645 WeakPolarHBondContact O-CG2 3.3Å; D3643-V3645 PolarHBondContact O-N 3.14Å; D3643-G3686 VanDerWaalsContact C-CA 3.47Å; D3643-G3686 WeakPolarHBondContact O-CA 3.12Å; D3643-P3813 WeakPolarHBondContact OD1-CA 3.46Å; D3643-P3813 WeakPolarHBondContact OD1-CB 3.2Å; D3643-S3814 PolarHBondContact OD1-N 2.93Å; D3643-H3816 IonicContact OD1-NE2 2.69Å; D3643-H3816 IonicContact OD2-CD2 3.41Å; D3643-H3816 IonicContact OD2-CE1 3.63Å; D3643-H3816 IonicContact OD2-NE2 2.92Å; D3643-H3816 PolarHBondContact OD2-NE2 3.17Å |
| 3644 | G | 85.5 | Confident | 93.2 | Very high | 7.5 Ų | 7.5 | 19.3 Ų | 19.3 | 8% | 0.077 | 11% | 0.106 | C | C | . | . | trans | -50.8 | 122.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | F3607 M3832 | F3607-G3644 VanDerWaalsContact CB-O 3.27Å; F3607-G3644 WeakPolarHBondContact CB-O 3.37Å; F3607-G3644 VanDerWaalsContact CD1-N 3.31Å; G3644-M3832 WeakPolarHBondContact CA-SD 3.36Å | ||
| 3645 | V | 91.7 | Very high | 93.2 | Very high | 4.5 Ų | 4.5 | 22.1 Ų | 22.1 | 3% | 0.027 | 12% | 0.124 | C | C | . | . | trans | -113.7 | 126.4 | 176 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | T3585 D3643 V3690 | T3585-V3645 HydrophobicContact CG2-CG1 3.84Å; T3585-V3645 VanDerWaalsContact OG1-CG1 3.24Å; T3585-V3645 WeakPolarHBondContact OG1-CG1 3.32Å; D3643-V3645 WeakPolarHBondContact O-CG2 3.3Å; D3643-V3645 PolarHBondContact O-N 3.14Å; V3645-V3690 HydrophobicContact CB-CB 4.39Å; V3645-V3690 HydrophobicContact CB-CG1 4.01Å; V3645-V3690 HydrophobicContact CB-CG2 3.85Å; V3645-V3690 HydrophobicContact CG1-CB 4.45Å; V3645-V3690 HydrophobicContact CG1-CG1 3.84Å; V3645-V3690 HydrophobicContact CG1-CG2 4.19Å; V3645-V3690 HydrophobicContact CG2-CG2 4.1Å | ||
| 3646 | F | 94.3 | Very high | 93.2 | Very high | 1.75 Ų | 1.75 | 24.6 Ų | 24.6 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | trans | -81.2 | 159.1 | 179.9 | -71.2 | -84.1 | 0 | 0 | 0 | 113.1 | F3588 F3607 S3608 G3610 G3611 L3779 M3832 | F3588-F3646 HydrophobicContact CB-CD2 3.92Å; F3588-F3646 HydrophobicContact CB-CE2 4.25Å; F3588-F3646 HydrophobicContact CD2-CB 4.06Å; F3588-F3646 AromaticContact CD2-CD2 3.96Å; F3588-F3646 HydrophobicContact CD2-CD2 3.96Å; F3588-F3646 HydrophobicContact CD2-CG 4.4Å; F3588-F3646 HydrophobicContact CE2-CB 4.3Å; F3588-F3646 HydrophobicContact CG-CD2 4.2Å; F3607-F3646 HydrophobicContact CD2-CE2 4.24Å; F3607-F3646 HydrophobicContact CD2-CZ 4.29Å; S3608-F3646 WeakPolarHBondContact O-CE2 3.24Å; S3608-F3646 WeakPolarHBondContact O-CZ 3.3Å; G3610-F3646 VanDerWaalsContact CA-CZ 3.42Å; G3611-F3646 VanDerWaalsContact O-CB 3.24Å; G3611-F3646 WeakPolarHBondContact O-CB 3.32Å; G3611-F3646 VanDerWaalsContact O-CD1 3.3Å; G3611-F3646 WeakPolarHBondContact O-CD1 3.41Å; G3611-F3646 VanDerWaalsContact O-CG 3.29Å; G3611-F3646 WeakPolarHBondContact O-CG 3.38Å; F3646-L3779 HydrophobicContact CE1-CD1 4.24Å; F3646-L3779 HydrophobicContact CE1-CD2 4.25Å; F3646-M3832 HydrophobicContact CD1-CE 4.32Å; F3646-M3832 HydrophobicContact CD2-CE 4.2Å; F3646-M3832 HydrophobicContact CE1-CE 3.8Å; F3646-M3832 HydrophobicContact CE2-CE 3.67Å; F3646-M3832 HydrophobicContact CG-CE 4.46Å; F3646-M3832 HydrophobicContact CZ-CE 3.43Å; F3646-M3832 VanDerWaalsContact CZ-CE 3.43Å | ||
| 3647 | P | 95.6 | Very high | 93.2 | Very high | 1.5 Ų | 1.5 | 28.3 Ų | 28.3 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | trans | -61.7 | 147.9 | -176.1 | -25.6 | 36.1 | 0 | 0 | 0 | 115 | A3613 Y3649 L3691 I3693 I3777 | A3613-P3647 PolarHBondContact N-O 2.76Å; A3613-P3647 VanDerWaalsContact N-O 3.1Å; P3647-Y3649 HydrophobicContact CB-CD2 4.49Å; P3647-Y3649 HydrophobicContact CB-CE1 4.46Å; P3647-Y3649 HydrophobicContact CB-CE2 3.76Å; P3647-L3691 WeakPolarHBondContact CA-O 3.41Å; P3647-L3691 HydrophobicContact CB-CB 4.14Å; P3647-L3691 HydrophobicContact CG-CB 4.33Å; P3647-L3691 HydrophobicContact CG-CD1 4.35Å; P3647-I3693 HydrophobicContact CB-CD1 4.45Å; P3647-I3777 HydrophobicContact CG-CG1 3.88Å | ||
| 3648 | T | 97.8 | Very high | 93.3 | Very high | 1.25 Ų | 1.25 | 29.7 Ų | 29.7 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.5 | 167.9 | -58.5 | 0 | 0 | 0 | 0 | 109.9 | A3613 L3615 F3650 L3691 V3692 I3693 | A3613-T3648 HydrophobicContact CB-CG2 4.09Å; A3613-T3648 CarbonylContact O-C 3.28Å; A3613-T3648 WeakPolarHBondContact O-CA 3.32Å; L3615-T3648 HydrophobicContact CD1-CG2 3.77Å; L3615-T3648 HydrophobicContact CD2-CG2 3.88Å; L3615-T3648 HydrophobicContact CG-CG2 4.43Å; T3648-F3650 HydrophobicContact CG2-CD2 4.11Å; T3648-F3650 HydrophobicContact CG2-CE2 3.63Å; T3648-F3650 HydrophobicContact CG2-CZ 4.36Å; T3648-L3691 PolarHBondContact N-O 2.99Å; T3648-V3692 WeakPolarHBondContact O-CA 3.33Å; T3648-I3693 PolarHBondContact O-N 2.97Å |
| 3649 | Y | 97.6 | Very high | 93.4 | Very high | 13.75 Ų | 13.75 | 32.1 Ų | 32.1 | 5% | 0.054 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125.1 | -179.8 | -58.7 | -84.6 | 0 | 0 | 0 | 110.6 | A3612 A3613 Y3614 L3615 P3647 I3693 K3695 Q3859 | A3612-Y3649 HydrophobicContact CB-CE2 4.2Å; A3613-Y3649 WeakPolarHBondContact O-CD2 3.29Å; A3613-Y3649 PolarHBondContact O-N 2.97Å; Y3614-Y3649 AromaticContact CD1-CD2 3.78Å; Y3614-Y3649 HydrophobicContact CD1-CD2 3.78Å; Y3614-Y3649 HydrophobicContact CD1-CG 4.11Å; Y3614-Y3649 AromaticContact CE1-CD2 3.55Å; Y3614-Y3649 HydrophobicContact CE1-CD2 3.55Å; Y3614-Y3649 VanDerWaalsContact CE1-CD2 3.49Å; Y3614-Y3649 AromaticContact CE1-CE2 3.99Å; Y3614-Y3649 HydrophobicContact CE1-CE2 4.07Å; Y3614-Y3649 HydrophobicContact CE1-CG 4.08Å; L3615-Y3649 PolarHBondContact N-O 2.88Å; P3647-Y3649 HydrophobicContact CB-CD2 4.49Å; P3647-Y3649 HydrophobicContact CB-CE1 4.46Å; P3647-Y3649 HydrophobicContact CB-CE2 3.76Å; Y3649-I3693 CarbonylContact C-O 3.5Å; Y3649-I3693 WeakPolarHBondContact CA-O 3.38Å; Y3649-I3693 HydrophobicContact CD1-CB 3.91Å; Y3649-I3693 HydrophobicContact CD1-CD1 3.94Å; Y3649-I3693 HydrophobicContact CD1-CG1 4.49Å; Y3649-I3693 HydrophobicContact CD1-CG2 4.12Å; Y3649-I3693 HydrophobicContact CE1-CB 4.31Å; Y3649-I3693 HydrophobicContact CE1-CD1 3.43Å; Y3649-I3693 VanDerWaalsContact CE1-CD1 3.43Å; Y3649-I3693 HydrophobicContact CE1-CG1 4.43Å; Y3649-I3693 HydrophobicContact CE1-CG2 4.47Å; Y3649-K3695 VanDerWaalsContact CD1-CE 3.43Å; Y3649-K3695 HydrophobicContact CD1-CG 4.46Å; Y3649-Q3859 HydrophobicContact CE2-CB 4.41Å; Y3649-Q3859 HydrophobicContact CE2-CG 4.47Å |
| 3650 | F | 98.1 | Very high | 93.9 | Very high | 0.5 Ų | 0.5 | 32.8 Ų | 32.8 | 0% | 0.002 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 138.5 | 171.7 | -72.6 | -100 | 0 | 0 | 0 | 110.5 | L3615 L3618 I3620 T3648 V3692 I3693 K3695 L3699 | L3615-F3650 HydrophobicContact CB-CD1 3.91Å; L3615-F3650 HydrophobicContact CB-CE1 4.11Å; L3615-F3650 HydrophobicContact CB-CG 4.29Å; L3615-F3650 HydrophobicContact CD2-CD1 3.96Å; L3615-F3650 HydrophobicContact CD2-CD2 4.41Å; L3615-F3650 HydrophobicContact CD2-CE1 3.32Å; L3615-F3650 HydrophobicContact CD2-CE2 3.83Å; L3615-F3650 HydrophobicContact CD2-CG 4.47Å; L3615-F3650 HydrophobicContact CD2-CZ 3.25Å; L3615-F3650 HydrophobicContact CG-CE1 4.38Å; L3615-F3650 CarbonylContact O-C 3.55Å; L3615-F3650 VanDerWaalsContact O-CA 3.32Å; L3615-F3650 WeakPolarHBondContact O-CA 3.44Å; L3618-F3650 HydrophobicContact CD1-CD1 4.44Å; L3618-F3650 HydrophobicContact CD1-CE1 4.22Å; I3620-F3650 HydrophobicContact CD1-CE1 4.5Å; T3648-F3650 HydrophobicContact CG2-CD2 4.11Å; T3648-F3650 HydrophobicContact CG2-CE2 3.63Å; T3648-F3650 HydrophobicContact CG2-CZ 4.36Å; F3650-V3692 HydrophobicContact CD2-CG1 3.83Å; F3650-V3692 HydrophobicContact CE2-CG1 3.62Å; F3650-I3693 PolarHBondContact N-O 3.06Å; F3650-K3695 WeakPolarHBondContact O-CB 3.25Å; F3650-K3695 PolarHBondContact O-N 3.07Å; F3650-L3699 HydrophobicContact CB-CD2 4.36Å; F3650-L3699 HydrophobicContact CD1-CD2 3.89Å; F3650-L3699 HydrophobicContact CD2-CD2 3.91Å; F3650-L3699 HydrophobicContact CE1-CD2 4.05Å; F3650-L3699 HydrophobicContact CE2-CD2 4.09Å; F3650-L3699 HydrophobicContact CG-CD2 3.8Å; F3650-L3699 HydrophobicContact CZ-CD2 4.13Å |
| 3651 | M | 97.8 | Very high | 94.4 | Very high | 106.5 Ų | 106.5 | 33 Ų | 33 | 53% | 0.525 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 143.6 | 175 | -172.4 | 172.9 | 68 | 0 | 0 | 110.7 | L3615 S3616 N3617 T3653 | L3615-M3651 PolarHBondContact O-N 2.99Å; S3616-M3651 CarbonylContact C-O 3.54Å; S3616-M3651 VanDerWaalsContact CA-O 3.23Å; S3616-M3651 WeakPolarHBondContact CA-O 3.33Å; N3617-M3651 PolarHBondContact N-O 3.08Å; M3651-T3653 PolarHBondContact O-N 3.05Å; M3651-T3653 VanDerWaalsContact O-N 3.15Å |
| 3652 | G | 97.1 | Very high | 94.7 | Very high | 24.75 Ų | 24.75 | 32.8 Ų | 32.8 | 26% | 0.255 | 18% | 0.184 | S | C | . | . | S | Bend | trans | 63.3 | 20.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | N3617 D3696 | N3617-G3652 WeakPolarHBondContact CA-O 3.34Å; G3652-D3696 WeakPolarHBondContact CA-OD2 3.3Å; G3652-D3696 PolarHBondContact N-OD1 2.75Å; G3652-D3696 PolarHBondContact N-OD2 2.88Å |
| 3653 | T | 97.4 | Very high | 95.1 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 4% | 0.037 | 19% | 0.185 | C | C | . | . | trans | -77.2 | 145.4 | -177.2 | -61.1 | 0 | 0 | 0 | 0 | 110.5 | L3618 I3620 M3651 G3698 L3699 | L3618-T3653 HydrophobicContact CB-CG2 4.21Å; L3618-T3653 CarbonylContact O-C 3.43Å; L3618-T3653 VanDerWaalsContact O-CA 3.28Å; L3618-T3653 WeakPolarHBondContact O-CA 3.36Å; I3620-T3653 HydrophobicContact CD1-CG2 3.55Å; I3620-T3653 VanDerWaalsContact CD1-CG2 3.5Å; I3620-T3653 HydrophobicContact CG1-CG2 4.11Å; M3651-T3653 PolarHBondContact O-N 3.05Å; M3651-T3653 VanDerWaalsContact O-N 3.15Å; T3653-G3698 CarbonylContact C-O 3.36Å; T3653-G3698 CarbonylContact O-C 3.53Å; T3653-G3698 VanDerWaalsContact O-C 3.24Å; T3653-G3698 WeakPolarHBondContact O-CA 3.33Å; T3653-G3698 VanDerWaalsContact O-O 3.04Å; T3653-L3699 HydrophobicContact CG2-CB 4.37Å; T3653-L3699 HydrophobicContact CG2-CD1 4.02Å | ||
| 3654 | K | 97.3 | Very high | 95.5 | Very high | 109.25 Ų | 109.25 | 32.9 Ų | 32.9 | 48% | 0.475 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127 | 175 | -84.1 | 179.2 | -177.7 | 177.2 | 0 | 109.4 | L3618 T3619 I3620 | L3618-K3654 PolarHBondContact O-N 3.21Å; T3619-K3654 CarbonylContact C-O 3.53Å; T3619-K3654 WeakPolarHBondContact CA-O 3.29Å; I3620-K3654 PolarHBondContact N-O 2.93Å |
| 3655 | T | 97.2 | Very high | 96 | Very high | 60 Ų | 60 | 34.3 Ų | 34.3 | 37% | 0.368 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 138.8 | 175.8 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | I3620 V3658 L3699 | I3620-T3655 CarbonylContact O-C 3.46Å; I3620-T3655 VanDerWaalsContact O-CA 3.3Å; I3620-T3655 WeakPolarHBondContact O-CA 3.29Å; T3655-V3658 HydrophobicContact CG2-CB 4.49Å; T3655-V3658 HydrophobicContact CG2-CG2 4.44Å; T3655-L3699 HydrophobicContact CG2-CD1 4.05Å; T3655-L3699 WeakPolarHBondContact CG2-O 3.38Å |
| 3656 | I | 96.8 | Very high | 96.1 | Very high | 52.25 Ų | 52.25 | 34.2 Ų | 34.2 | 27% | 0.268 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 112.1 | 178.1 | -56.9 | 173.7 | 0 | 0 | 0 | 108 | G3259 T3619 I3620 A3621 N3622 V3658 | G3259-I3656 VanDerWaalsContact N-CD1 3.33Å; T3619-I3656 HydrophobicContact CG2-CD1 3.84Å; I3620-I3656 PolarHBondContact O-N 3.19Å; A3621-I3656 CarbonylContact C-O 3.56Å; A3621-I3656 WeakPolarHBondContact CA-O 3.18Å; A3621-I3656 HydrophobicContact CB-CB 3.99Å; N3622-I3656 PolarHBondContact N-O 2.89Å; I3656-V3658 VanDerWaalsContact C-N 3.29Å; I3656-V3658 PolarHBondContact O-N 2.98Å |
| 3657 | S | 95.3 | Very high | 96.1 | Very high | 99 Ų | 99 | 34.8 Ų | 34.8 | 69% | 0.692 | 19% | 0.19 | S | C | * | . | S | Bend | trans | 53.5 | 43.6 | 179.7 | -54.8 | 0 | 0 | 0 | 0 | 113.5 | N3622 | N3622-S3657 WeakPolarHBondContact CA-O 3.44Å; N3622-S3657 WeakPolarHBondContact OD1-CB 3.45Å |
| 3658 | V | 96.5 | Very high | 96 | Very high | 29.75 Ų | 29.75 | 37 Ų | 37 | 18% | 0.18 | 20% | 0.198 | C | C | . | . | trans | -101.8 | 125.2 | 177.3 | 176.2 | 0 | 0 | 0 | 0 | 109.1 | I3620 Y3623 V3634 T3655 I3656 M3660 I3663 | I3620-V3658 HydrophobicContact CB-CG2 4.47Å; I3620-V3658 HydrophobicContact CG2-CG2 3.9Å; I3620-V3658 WeakPolarHBondContact O-CG2 3.37Å; Y3623-V3658 WeakPolarHBondContact O-CA 3.28Å; V3634-V3658 HydrophobicContact CG2-CG1 4.4Å; T3655-V3658 HydrophobicContact CG2-CB 4.49Å; T3655-V3658 HydrophobicContact CG2-CG2 4.44Å; I3656-V3658 VanDerWaalsContact C-N 3.29Å; I3656-V3658 PolarHBondContact O-N 2.98Å; V3658-M3660 PolarHBondContact O-N 2.95Å; V3658-I3663 HydrophobicContact CG1-CD1 4.39Å; V3658-I3663 HydrophobicContact CG1-CG1 3.79Å | ||
| 3659 | D | 94.4 | Very high | 95.7 | Very high | 54 Ų | 54 | 37.2 Ų | 37.2 | 29% | 0.289 | 20% | 0.2 | S | C | . | . | trans | -67.8 | 126.5 | 168.9 | -177.5 | -4.5 | 0 | 0 | 0 | 109 | Y3623 R3631 D3661 S3662 | Y3623-D3659 PolarHBondContact O-N 2.88Å; R3631-D3659 IonicContact CZ-OD2 3.25Å; R3631-D3659 IonicContact NH1-OD2 3.31Å; R3631-D3659 PolarHBondContact NH1-OD2 3.04Å; R3631-D3659 IonicContact NH2-OD2 3.22Å; R3631-D3659 PolarHBondContact NH2-OD2 3.15Å; R3631-D3659 VanDerWaalsContact NH2-OD2 3.14Å; D3659-D3661 PolarHBondContact O-N 3.11Å; D3659-D3661 PolarHBondContact OD1-N 3.19Å; D3659-D3661 VanDerWaalsContact OD1-N 3.12Å; D3659-S3662 WeakPolarHBondContact O-CA 3.33Å; D3659-S3662 VanDerWaalsContact O-CB 3.28Å; D3659-S3662 WeakPolarHBondContact O-CB 3.18Å; D3659-S3662 PolarHBondContact O-N 3.3Å | ||
| 3660 | M | 92.8 | Very high | 95.5 | Very high | 77 Ų | 77 | 40.5 Ų | 40.5 | 38% | 0.379 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -58.4 | -32.9 | -178.1 | -172 | 178.7 | -63 | 0 | 0 | 112.2 | V3658 S3662 I3663 F3700 M3761 K3768 | V3658-M3660 PolarHBondContact O-N 2.95Å; M3660-S3662 PolarHBondContact O-N 2.88Å; M3660-I3663 HydrophobicContact CG-CD1 4.32Å; M3660-I3663 WeakPolarHBondContact O-CG1 3.04Å; M3660-I3663 PolarHBondContact O-N 3.12Å; M3660-F3700 HydrophobicContact CG-CD1 4.29Å; M3660-F3700 HydrophobicContact CG-CE1 4.48Å; M3660-M3761 HydrophobicContact CG-CE 4.21Å; M3660-M3761 HydrophobicContact SD-CE 4.22Å; M3660-K3768 HydrophobicContact SD-CD 4.37Å; M3660-K3768 PolarHBondContact SD-NZ 3.01Å |
| 3661 | D | 93.3 | Very high | 95.2 | Very high | 35.75 Ų | 35.75 | 43 Ų | 43 | 19% | 0.191 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -70.7 | -13.6 | 177.1 | -78.9 | -22.2 | 0 | 0 | 0 | 113.6 | Y3633 D3659 M3761 K3763 | Y3633-D3661 VanDerWaalsContact CE1-O 3.28Å; Y3633-D3661 WeakPolarHBondContact CE1-O 3.31Å; D3659-D3661 PolarHBondContact O-N 3.11Å; D3659-D3661 PolarHBondContact OD1-N 3.19Å; D3659-D3661 VanDerWaalsContact OD1-N 3.12Å; D3661-M3761 VanDerWaalsContact OD1-CE 3.29Å; D3661-M3761 WeakPolarHBondContact OD1-CE 3.27Å; D3661-K3763 HydrophobicContact CB-CB 4.14Å; D3661-K3763 HydrophobicContact CB-CD 3.75Å; D3661-K3763 HydrophobicContact CB-CG 4.4Å; D3661-K3763 VanDerWaalsContact OD2-CD 3.3Å; D3661-K3763 WeakPolarHBondContact OD2-CD 3.34Å; D3661-K3763 VanDerWaalsContact OD2-CE 3.32Å; D3661-K3763 WeakPolarHBondContact OD2-CE 3.3Å; D3661-K3763 IonicContact OD2-NZ 3.56Å; D3661-K3763 PolarHBondContact OD2-NZ 2.92Å |
| 3662 | S | 95.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -98.8 | 5.2 | -179.6 | -74 | 0 | 0 | 0 | 0 | 112.9 | R3631 D3632 Y3633 V3634 D3659 M3660 | R3631-S3662 WeakPolarHBondContact CG-OG 3.37Å; R3631-S3662 PolarHBondContact NH1-OG 3.05Å; D3632-S3662 WeakPolarHBondContact O-CB 3.19Å; D3632-S3662 PolarHBondContact O-OG 2.84Å; Y3633-S3662 CarbonylContact C-O 3.58Å; Y3633-S3662 VanDerWaalsContact CA-O 3.22Å; Y3633-S3662 WeakPolarHBondContact CA-O 3.25Å; V3634-S3662 PolarHBondContact N-O 2.98Å; D3659-S3662 WeakPolarHBondContact O-CA 3.33Å; D3659-S3662 VanDerWaalsContact O-CB 3.28Å; D3659-S3662 WeakPolarHBondContact O-CB 3.18Å; D3659-S3662 PolarHBondContact O-N 3.3Å; M3660-S3662 PolarHBondContact O-N 2.88Å |
| 3663 | I | 96.6 | Very high | 94.6 | Very high | 5.5 Ų | 5.5 | 40.3 Ų | 40.3 | 3% | 0.028 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -77.9 | -49.3 | -175.8 | -63.9 | 175.6 | 0 | 0 | 0 | 111.5 | V3634 W3635 V3658 M3660 L3699 F3700 | V3634-I3663 WeakPolarHBondContact CB-O 3.27Å; W3635-I3663 PolarHBondContact N-O 2.95Å; V3658-I3663 HydrophobicContact CG1-CD1 4.39Å; V3658-I3663 HydrophobicContact CG1-CG1 3.79Å; M3660-I3663 HydrophobicContact CG-CD1 4.32Å; M3660-I3663 WeakPolarHBondContact O-CG1 3.04Å; M3660-I3663 PolarHBondContact O-N 3.12Å; I3663-L3699 HydrophobicContact CD1-CD1 4.42Å; I3663-L3699 HydrophobicContact CD1-CG 4.47Å; I3663-L3699 WeakPolarHBondContact CD1-O 3.35Å; I3663-L3699 HydrophobicContact CG2-CD1 3.72Å; I3663-L3699 HydrophobicContact CG2-CD2 3.71Å; I3663-L3699 HydrophobicContact CG2-CG 3.7Å; I3663-F3700 HydrophobicContact CB-CE1 3.94Å; I3663-F3700 HydrophobicContact CB-CZ 4.09Å; I3663-F3700 HydrophobicContact CD1-CD1 3.79Å; I3663-F3700 HydrophobicContact CD1-CE1 3.64Å; I3663-F3700 HydrophobicContact CD1-CZ 4.34Å; I3663-F3700 HydrophobicContact CG1-CE1 4.37Å; I3663-F3700 HydrophobicContact CG2-CE1 3.82Å; I3663-F3700 HydrophobicContact CG2-CE2 4.24Å; I3663-F3700 HydrophobicContact CG2-CZ 3.5Å |
| 3664 | V | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 140.1 | -175.1 | 165.1 | 0 | 0 | 0 | 0 | 110.1 | W3635 Y3666 V3692 F3700 I3706 M3764 | W3635-V3664 HydrophobicContact CB-CG2 4.21Å; W3635-V3664 HydrophobicContact CD2-CG2 4.34Å; W3635-V3664 HydrophobicContact CE3-CB 4.32Å; W3635-V3664 HydrophobicContact CE3-CG1 3.74Å; W3635-V3664 HydrophobicContact CE3-CG2 4.09Å; W3635-V3664 HydrophobicContact CG-CG2 4.39Å; W3635-V3664 HydrophobicContact CZ3-CG1 3.99Å; W3635-V3664 CarbonylContact O-C 3.5Å; W3635-V3664 VanDerWaalsContact O-CA 3.3Å; W3635-V3664 WeakPolarHBondContact O-CA 3.34Å; V3664-Y3666 HydrophobicContact CG1-CD1 3.48Å; V3664-Y3666 VanDerWaalsContact CG1-CD1 3.48Å; V3664-Y3666 HydrophobicContact CG1-CD2 3.6Å; V3664-Y3666 HydrophobicContact CG1-CE1 3.18Å; V3664-Y3666 HydrophobicContact CG1-CE2 3.23Å; V3664-V3692 HydrophobicContact CG1-CG2 4.43Å; V3664-V3692 HydrophobicContact CG2-CB 4.38Å; V3664-V3692 HydrophobicContact CG2-CG1 4.02Å; V3664-V3692 HydrophobicContact CG2-CG2 4.25Å; V3664-F3700 HydrophobicContact CG2-CZ 4.27Å; V3664-I3706 HydrophobicContact CG1-CG2 4.17Å; V3664-I3706 HydrophobicContact CG2-CG1 4.45Å; V3664-M3764 HydrophobicContact CB-CE 3.62Å; V3664-M3764 HydrophobicContact CG1-CE 4.31Å; V3664-M3764 HydrophobicContact CG2-CE 4.29Å; V3664-M3764 WeakPolarHBondContact O-CA 3.35Å; V3664-M3764 VanDerWaalsContact O-CB 3.3Å; V3664-M3764 WeakPolarHBondContact O-CB 3.41Å; V3664-M3764 VanDerWaalsContact O-CG 3.3Å; V3664-M3764 WeakPolarHBondContact O-CG 3.33Å |
| 3665 | Y | 95.9 | Very high | 94 | Very high | 37.25 Ų | 37.25 | 40.5 Ų | 40.5 | 15% | 0.146 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 129.4 | 168.7 | -174.8 | -89.7 | 0 | 0 | 0 | 111.5 | P3575 Y3633 W3635 R3636 T3637 D3667 K3763 Q3765 | P3575-Y3665 HydrophobicContact CB-CD1 4.32Å; P3575-Y3665 HydrophobicContact CB-CD2 4.47Å; P3575-Y3665 HydrophobicContact CB-CE1 3.8Å; P3575-Y3665 HydrophobicContact CB-CE2 4.02Å; P3575-Y3665 HydrophobicContact CG-CD1 3.44Å; P3575-Y3665 VanDerWaalsContact CG-CD1 3.44Å; P3575-Y3665 HydrophobicContact CG-CD2 3.63Å; P3575-Y3665 HydrophobicContact CG-CE1 3.42Å; P3575-Y3665 VanDerWaalsContact CG-CE1 3.44Å; P3575-Y3665 HydrophobicContact CG-CE2 3.63Å; P3575-Y3665 HydrophobicContact CG-CG 3.52Å; P3575-Y3665 VanDerWaalsContact CG-CG 3.49Å; P3575-Y3665 VanDerWaalsContact CG-CZ 3.45Å; Y3633-Y3665 AromaticContact CE1-CD2 3.95Å; Y3633-Y3665 HydrophobicContact CE1-CD2 3.97Å; Y3633-Y3665 HydrophobicContact CE1-CG 4.32Å; Y3633-Y3665 HydrophobicContact CE2-CD2 4.44Å; Y3633-Y3665 AromaticContact CZ-CD2 3.88Å; W3635-Y3665 PolarHBondContact O-N 2.98Å; R3636-Y3665 WeakPolarHBondContact CA-O 3.3Å; R3636-Y3665 HydrophobicContact CG-CD1 3.89Å; R3636-Y3665 HydrophobicContact CG-CG 4.49Å; T3637-Y3665 PolarHBondContact N-O 2.96Å; T3637-Y3665 VanDerWaalsContact N-O 3.09Å; Y3665-D3667 HydrophobicContact CE1-CB 4.48Å; Y3665-D3667 WeakPolarHBondContact CE1-OD1 3.27Å; Y3665-K3763 VanDerWaalsContact CD2-O 3.31Å; Y3665-K3763 WeakPolarHBondContact CD2-O 3.4Å; Y3665-Q3765 HydrophobicContact CE2-CG 4.2Å; Y3665-Q3765 PolarHBondContact OH-NE2 3.3Å |
| 3666 | Y | 95.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -103 | 123.4 | 171.4 | -71.2 | -86.5 | 0 | 0 | 0 | 109.8 | W3635 T3637 V3664 V3690 V3692 I3706 P3708 M3764 Q3765 A3766 | W3635-Y3666 HydrophobicContact CE3-CD1 4.49Å; W3635-Y3666 HydrophobicContact CE3-CE1 4.18Å; W3635-Y3666 HydrophobicContact CH2-CE1 4.01Å; W3635-Y3666 AromaticContact CZ3-CD1 3.7Å; W3635-Y3666 HydrophobicContact CZ3-CD1 3.7Å; W3635-Y3666 AromaticContact CZ3-CE1 3.41Å; W3635-Y3666 HydrophobicContact CZ3-CE1 3.41Å; W3635-Y3666 VanDerWaalsContact CZ3-CE1 3.41Å; W3635-Y3666 HydrophobicContact CZ3-CE2 4.4Å; T3637-Y3666 HydrophobicContact CG2-CD1 3.94Å; T3637-Y3666 HydrophobicContact CG2-CE1 4.35Å; T3637-Y3666 HydrophobicContact CG2-CG 4.39Å; V3664-Y3666 HydrophobicContact CG1-CD1 3.48Å; V3664-Y3666 VanDerWaalsContact CG1-CD1 3.48Å; V3664-Y3666 HydrophobicContact CG1-CD2 3.6Å; V3664-Y3666 HydrophobicContact CG1-CE1 3.18Å; V3664-Y3666 HydrophobicContact CG1-CE2 3.23Å; Y3666-V3690 HydrophobicContact CD1-CB 4.14Å; Y3666-V3690 HydrophobicContact CD1-CG1 4.27Å; Y3666-V3690 HydrophobicContact CD1-CG2 4.41Å; Y3666-V3690 HydrophobicContact CE1-CB 3.84Å; Y3666-V3690 HydrophobicContact CE1-CG1 3.92Å; Y3666-V3690 HydrophobicContact CE1-CG2 4.4Å; Y3666-V3690 VanDerWaalsContact CE1-O 3.29Å; Y3666-V3690 WeakPolarHBondContact CE1-O 2.86Å; Y3666-V3690 HydrophobicContact CE2-CB 4.11Å; Y3666-V3690 HydrophobicContact CE2-CG1 4.31Å; Y3666-V3690 PolarHBondContact OH-O 2.81Å; Y3666-V3692 HydrophobicContact CE1-CG2 4.07Å; Y3666-V3692 WeakPolarHBondContact OH-CG2 3.4Å; Y3666-V3692 PolarHBondContact OH-N 2.99Å; Y3666-I3706 HydrophobicContact CD2-CG2 4.46Å; Y3666-I3706 HydrophobicContact CE2-CB 4.4Å; Y3666-I3706 HydrophobicContact CE2-CG2 3.71Å; Y3666-I3706 VanDerWaalsContact CE2-CG2 3.46Å; Y3666-I3706 PolarHBondContact OH-O 2.93Å; Y3666-I3706 VanDerWaalsContact OH-O 3.05Å; Y3666-P3708 HydrophobicContact CD1-CB 3.69Å; Y3666-P3708 HydrophobicContact CD1-CG 4.33Å; Y3666-P3708 HydrophobicContact CD2-CB 3.64Å; Y3666-P3708 HydrophobicContact CD2-CG 4.46Å; Y3666-P3708 HydrophobicContact CE1-CB 3.88Å; Y3666-P3708 HydrophobicContact CE1-CG 4.08Å; Y3666-P3708 HydrophobicContact CE2-CB 3.99Å; Y3666-P3708 HydrophobicContact CE2-CG 4.37Å; Y3666-P3708 HydrophobicContact CG-CB 4.31Å; Y3666-M3764 PolarHBondContact N-O 3.12Å; Y3666-M3764 VanDerWaalsContact N-O 3.16Å; Y3666-Q3765 PolarHBondContact O-NE2 2.83Å; Y3666-A3766 HydrophobicContact CD2-CB 3.71Å; Y3666-A3766 HydrophobicContact CE2-CB 3.89Å; Y3666-A3766 HydrophobicContact CG-CB 4.43Å |
| 3667 | D | 94.2 | Very high | 92.5 | Very high | 14.25 Ų | 14.25 | 42.8 Ų | 42.8 | 8% | 0.076 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -69.6 | 158.9 | 171.6 | -68.3 | -74.9 | 0 | 0 | 0 | 111 | R3636 T3637 T3639 Y3665 L3687 | R3636-D3667 WeakPolarHBondContact CG-OD2 3.02Å; R3636-D3667 IonicContact CZ-OD1 3.52Å; R3636-D3667 IonicContact CZ-OD2 3.46Å; R3636-D3667 IonicContact NE-OD1 3.45Å; R3636-D3667 PolarHBondContact NE-OD1 3.02Å; R3636-D3667 VanDerWaalsContact NE-OD1 3.16Å; R3636-D3667 IonicContact NE-OD2 3.06Å; R3636-D3667 PolarHBondContact NE-OD2 3.11Å; R3636-D3667 VanDerWaalsContact NE-OD2 3.13Å; R3636-D3667 IonicContact NH2-OD1 2.99Å; R3636-D3667 PolarHBondContact NH2-OD1 3.05Å; R3636-D3667 IonicContact NH2-OD2 3.47Å; T3637-D3667 VanDerWaalsContact O-OD2 3.07Å; T3637-D3667 WeakPolarHBondContact OG1-CB 3.34Å; T3637-D3667 PolarHBondContact OG1-N 3.05Å; T3637-D3667 PolarHBondContact OG1-OD2 3.12Å; T3639-D3667 HydrophobicContact CG2-CB 4.26Å; T3639-D3667 VanDerWaalsContact CG2-OD1 3.24Å; T3639-D3667 WeakPolarHBondContact CG2-OD1 3.31Å; T3639-D3667 WeakPolarHBondContact CG2-OD2 3.22Å; T3639-D3667 PolarHBondContact OG1-OD1 2.86Å; T3639-D3667 PolarHBondContact OG1-OD2 2.96Å; T3639-D3667 VanDerWaalsContact OG1-OD2 3.1Å; Y3665-D3667 HydrophobicContact CE1-CB 4.48Å; Y3665-D3667 WeakPolarHBondContact CE1-OD1 3.27Å; D3667-L3687 HydrophobicContact CB-CD1 3.94Å; D3667-L3687 HydrophobicContact CB-CD2 4.34Å |
| 3668 | R | 93 | Very high | 92.1 | Very high | 48.25 Ų | 48.25 | 39.6 Ų | 39.6 | 18% | 0.182 | 20% | 0.201 | C | C | . | . | P | Polyproline II helix | trans | -97.7 | 147.9 | 176.7 | -60.8 | -54.4 | -173.2 | 165.2 | 4.8 | 110.8 | N3670 L3687 Q3709 W3712 Y3760 Q3765 | R3668-N3670 PolarHBondContact O-N 3.06Å; R3668-L3687 WeakPolarHBondContact O-CD1 3.4Å; R3668-Q3709 PolarHBondContact NH1-O 3.07Å; R3668-W3712 HydrophobicContact CB-CE3 4.39Å; R3668-W3712 HydrophobicContact CB-CH2 3.79Å; R3668-W3712 HydrophobicContact CB-CZ2 4.21Å; R3668-W3712 HydrophobicContact CB-CZ3 3.89Å; R3668-W3712 HydrophobicContact CG-CD2 4.41Å; R3668-W3712 HydrophobicContact CG-CE3 4.45Å; R3668-W3712 HydrophobicContact CG-CH2 4.09Å; R3668-W3712 HydrophobicContact CG-CZ2 3.99Å; R3668-W3712 HydrophobicContact CG-CZ3 4.35Å; R3668-Y3760 PolarHBondContact NH2-OH 3.04Å; R3668-Q3765 VanDerWaalsContact NE-CD 3.3Å; R3668-Q3765 VanDerWaalsContact NE-NE2 3.14Å |
| 3669 | P | 92.6 | Very high | 91.9 | Very high | 5.25 Ų | 5.25 | 38.2 Ų | 38.2 | 3% | 0.034 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -54.6 | 135.3 | 170.7 | -26.6 | 36.3 | 0 | 0 | 0 | 112.2 | E3642 V3671 E3683 C3684 L3687 K3688 | E3642-P3669 WeakPolarHBondContact OE1-CA 3.38Å; P3669-V3671 PolarHBondContact O-N 3.21Å; P3669-E3683 HydrophobicContact CB-CB 3.93Å; P3669-E3683 HydrophobicContact CB-CG 4.41Å; P3669-E3683 HydrophobicContact CG-CB 4.46Å; P3669-E3683 HydrophobicContact CG-CG 4.4Å; P3669-E3683 VanDerWaalsContact CG-OE1 3.29Å; P3669-E3683 WeakPolarHBondContact CG-OE1 3.03Å; P3669-C3684 WeakPolarHBondContact CG-O 3.33Å; P3669-L3687 HydrophobicContact CG-CB 4.41Å; P3669-K3688 HydrophobicContact CG-CD 4.33Å; P3669-K3688 HydrophobicContact CG-CG 4.14Å |
| 3670 | N | 91.7 | Very high | 91.6 | Very high | 82.75 Ų | 82.75 | 38.1 Ų | 38.1 | 44% | 0.443 | 19% | 0.192 | S | C | . | . | P | Polyproline II helix | trans | -80.3 | 118.9 | 178.4 | -171.5 | -13.5 | 0 | 0 | 0 | 110 | E3642 R3668 A3672 N3673 | E3642-N3670 WeakPolarHBondContact OE1-CA 3.3Å; E3642-N3670 WeakPolarHBondContact OE1-CB 3.43Å; E3642-N3670 PolarHBondContact OE1-N 3.19Å; R3668-N3670 PolarHBondContact O-N 3.06Å; N3670-A3672 PolarHBondContact O-N 3.13Å; N3670-A3672 VanDerWaalsContact OD1-CB 3.29Å; N3670-A3672 WeakPolarHBondContact OD1-CB 3.26Å; N3670-A3672 PolarHBondContact OD1-N 2.99Å; N3670-N3673 PolarHBondContact O-N 3.21Å |
| 3671 | V | 92.3 | Very high | 91.5 | Very high | 54.5 Ų | 54.5 | 36.5 Ų | 36.5 | 33% | 0.33 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -55.9 | -26.8 | 177.2 | 72 | 0 | 0 | 0 | 0 | 112.9 | P3669 N3673 V3674 I3719 Y3720 | P3669-V3671 PolarHBondContact O-N 3.21Å; V3671-N3673 PolarHBondContact O-N 2.93Å; V3671-V3674 WeakPolarHBondContact O-CB 3.33Å; V3671-V3674 PolarHBondContact O-N 3.01Å; V3671-I3719 HydrophobicContact CG2-CB 4.29Å; V3671-I3719 HydrophobicContact CG2-CG2 3.38Å; V3671-I3719 VanDerWaalsContact CG2-CG2 3.4Å; V3671-Y3720 HydrophobicContact CB-CE1 4.01Å; V3671-Y3720 HydrophobicContact CB-CE2 4.44Å; V3671-Y3720 HydrophobicContact CG2-CD2 4.45Å; V3671-Y3720 HydrophobicContact CG2-CE1 4.38Å; V3671-Y3720 HydrophobicContact CG2-CE2 4.25Å |
| 3672 | A | 91.7 | Very high | 91.5 | Very high | 50.5 Ų | 50.5 | 34.9 Ų | 34.9 | 42% | 0.417 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -62.9 | -22.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N3670 V3674 R3675 | N3670-A3672 PolarHBondContact O-N 3.13Å; N3670-A3672 VanDerWaalsContact OD1-CB 3.29Å; N3670-A3672 WeakPolarHBondContact OD1-CB 3.26Å; N3670-A3672 PolarHBondContact OD1-N 2.99Å; A3672-V3674 VanDerWaalsContact C-N 3.34Å; A3672-R3675 VanDerWaalsContact O-CD 3.28Å; A3672-R3675 WeakPolarHBondContact O-CD 3.35Å; A3672-R3675 WeakPolarHBondContact O-CG 3.22Å; A3672-R3675 PolarHBondContact O-NH1 2.83Å |
| 3673 | N | 90.8 | Very high | 91.4 | Very high | 22.25 Ų | 22.25 | 35.1 Ų | 35.1 | 12% | 0.119 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -88.9 | -3 | 176.6 | -66.2 | -30.4 | 0 | 0 | 0 | 113 | E3642 N3670 V3671 R3675 K3678 C3679 | E3642-N3673 PolarHBondContact OE1-ND2 3.2Å; E3642-N3673 WeakPolarHBondContact OE2-CB 3.31Å; E3642-N3673 PolarHBondContact OE2-ND2 2.9Å; N3670-N3673 PolarHBondContact O-N 3.21Å; V3671-N3673 PolarHBondContact O-N 2.93Å; N3673-R3675 PolarHBondContact O-N 3.12Å; N3673-R3675 PolarHBondContact OD1-NH1 3.03Å; N3673-K3678 HydrophobicContact CB-CB 4.19Å; N3673-K3678 VanDerWaalsContact O-CB 3.23Å; N3673-K3678 WeakPolarHBondContact O-CB 3.35Å; N3673-C3679 WeakPolarHBondContact O-CB 3.24Å; N3673-C3679 PolarHBondContact O-N 2.98Å |
| 3674 | V | 92.6 | Very high | 91.1 | Very high | 27.75 Ų | 27.75 | 34.9 Ų | 34.9 | 17% | 0.168 | 18% | 0.176 | C | C | . | . | trans | -78.7 | 71 | 167.6 | -168.1 | 0 | 0 | 0 | 0 | 109.4 | V3671 A3672 N3680 E3683 I3719 | V3671-V3674 WeakPolarHBondContact O-CB 3.33Å; V3671-V3674 PolarHBondContact O-N 3.01Å; A3672-V3674 VanDerWaalsContact C-N 3.34Å; V3674-N3680 CarbonylContact C-O 3.55Å; V3674-N3680 VanDerWaalsContact C-O 3.28Å; V3674-E3683 HydrophobicContact CG2-CB 4.19Å; V3674-I3719 VanDerWaalsContact CG1-O 3.28Å; V3674-I3719 WeakPolarHBondContact CG1-O 3.19Å | ||
| 3675 | R | 88.8 | Confident | 90.8 | Very high | 93.5 Ų | 93.5 | 35.5 Ų | 35.5 | 35% | 0.353 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -152 | 159.5 | 179.6 | 59.3 | 176.4 | -158.5 | -103.2 | 1.6 | 111.4 | A3672 N3673 D3677 K3678 C3679 N3680 | A3672-R3675 VanDerWaalsContact O-CD 3.28Å; A3672-R3675 WeakPolarHBondContact O-CD 3.35Å; A3672-R3675 WeakPolarHBondContact O-CG 3.22Å; A3672-R3675 PolarHBondContact O-NH1 2.83Å; N3673-R3675 PolarHBondContact O-N 3.12Å; N3673-R3675 PolarHBondContact OD1-NH1 3.03Å; R3675-D3677 VanDerWaalsContact C-N 3.27Å; R3675-D3677 WeakPolarHBondContact CD-OD1 3.25Å; R3675-D3677 WeakPolarHBondContact CG-OD1 3.32Å; R3675-D3677 IonicContact CZ-OD1 2.91Å; R3675-D3677 IonicContact CZ-OD2 3.05Å; R3675-D3677 VanDerWaalsContact NE-CG 3.26Å; R3675-D3677 IonicContact NE-OD1 3.12Å; R3675-D3677 PolarHBondContact NE-OD1 3.06Å; R3675-D3677 IonicContact NE-OD2 3.51Å; R3675-D3677 PolarHBondContact NE-OD2 2.95Å; R3675-D3677 IonicContact NH2-OD2 3.23Å; R3675-D3677 PolarHBondContact NH2-OD2 3.21Å; R3675-D3677 VanDerWaalsContact NH2-OD2 3.12Å; R3675-D3677 PolarHBondContact O-N 2.99Å; R3675-D3677 VanDerWaalsContact O-N 3.13Å; R3675-K3678 HydrophobicContact CG-CB 4.1Å; R3675-K3678 HydrophobicContact CG-CG 4.23Å; R3675-K3678 VanDerWaalsContact CZ-CG 3.45Å; R3675-K3678 VanDerWaalsContact NH2-CG 3.28Å; R3675-K3678 CarbonylContact O-C 3.54Å; R3675-K3678 PolarHBondContact O-N 3.08Å; R3675-C3679 PolarHBondContact O-N 3.11Å; R3675-N3680 CarbonylContact C-O 3.57Å; R3675-N3680 VanDerWaalsContact C-O 3.25Å; R3675-N3680 VanDerWaalsContact CA-O 3.23Å; R3675-N3680 WeakPolarHBondContact CA-O 3.36Å; R3675-N3680 PolarHBondContact N-O 3.24Å; R3675-N3680 VanDerWaalsContact N-O 3.09Å; R3675-N3680 WeakPolarHBondContact O-CA 3.39Å; R3675-N3680 PolarHBondContact O-N 3Å |
| 3676 | F | 83.1 | Confident | 90.5 | Very high | 113.75 Ų | 113.75 | 33.8 Ų | 33.8 | 50% | 0.499 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -35.2 | -170.2 | 105.8 | -91.2 | 0 | 0 | 0 | 114.7 | K3678 Y3822 A3823 L3825 | F3676-K3678 VanDerWaalsContact C-N 3.3Å; F3676-K3678 PolarHBondContact O-N 3.06Å; F3676-Y3822 HydrophobicContact CE2-CD1 4.26Å; F3676-Y3822 AromaticContact CZ-CD1 3.93Å; F3676-Y3822 HydrophobicContact CZ-CD1 3.93Å; F3676-A3823 HydrophobicContact CE2-CB 4Å; F3676-A3823 HydrophobicContact CZ-CB 4.27Å; F3676-L3825 HydrophobicContact CD2-CD2 4.08Å; F3676-L3825 HydrophobicContact CE2-CD2 3.96Å |
| 3677 | D | 80.5 | Confident | 90.4 | Very high | 45 Ų | 45 | 33.8 Ų | 33.8 | 24% | 0.241 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 4.6 | 179.9 | 63.8 | -55.9 | 0 | 0 | 0 | 114.3 | R3675 A3823 | R3675-D3677 VanDerWaalsContact C-N 3.27Å; R3675-D3677 WeakPolarHBondContact CD-OD1 3.25Å; R3675-D3677 WeakPolarHBondContact CG-OD1 3.32Å; R3675-D3677 IonicContact CZ-OD1 2.91Å; R3675-D3677 IonicContact CZ-OD2 3.05Å; R3675-D3677 VanDerWaalsContact NE-CG 3.26Å; R3675-D3677 IonicContact NE-OD1 3.12Å; R3675-D3677 PolarHBondContact NE-OD1 3.06Å; R3675-D3677 IonicContact NE-OD2 3.51Å; R3675-D3677 PolarHBondContact NE-OD2 2.95Å; R3675-D3677 IonicContact NH2-OD2 3.23Å; R3675-D3677 PolarHBondContact NH2-OD2 3.21Å; R3675-D3677 VanDerWaalsContact NH2-OD2 3.12Å; R3675-D3677 PolarHBondContact O-N 2.99Å; R3675-D3677 VanDerWaalsContact O-N 3.13Å; D3677-A3823 HydrophobicContact CB-CB 3.51Å |
| 3678 | K | 87.7 | Confident | 90.3 | Very high | 33.25 Ų | 33.25 | 33.6 Ų | 33.6 | 15% | 0.145 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -133.9 | -108.4 | -179.7 | -68 | -64.7 | 172.8 | -170.2 | 0 | 111.5 | W3603 N3673 R3675 F3676 N3680 S3814 D3815 | W3603-K3678 HydrophobicContact CZ2-CD 4.34Å; N3673-K3678 HydrophobicContact CB-CB 4.19Å; N3673-K3678 VanDerWaalsContact O-CB 3.23Å; N3673-K3678 WeakPolarHBondContact O-CB 3.35Å; R3675-K3678 HydrophobicContact CG-CB 4.1Å; R3675-K3678 HydrophobicContact CG-CG 4.23Å; R3675-K3678 VanDerWaalsContact CZ-CG 3.45Å; R3675-K3678 VanDerWaalsContact NH2-CG 3.28Å; R3675-K3678 CarbonylContact O-C 3.54Å; R3675-K3678 PolarHBondContact O-N 3.08Å; F3676-K3678 VanDerWaalsContact C-N 3.3Å; F3676-K3678 PolarHBondContact O-N 3.06Å; K3678-N3680 VanDerWaalsContact C-N 3.26Å; K3678-N3680 PolarHBondContact O-N 3.19Å; K3678-S3814 VanDerWaalsContact CA-OG 3.29Å; K3678-S3814 WeakPolarHBondContact CA-OG 3.38Å; K3678-S3814 VanDerWaalsContact CD-OG 3.32Å; K3678-S3814 WeakPolarHBondContact CD-OG 3.31Å; K3678-D3815 PolarHBondContact NZ-O 3.03Å; K3678-D3815 VanDerWaalsContact NZ-O 3.13Å; K3678-D3815 PolarHBondContact O-N 3Å |
| 3679 | C | 90.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 10.6 | -178.4 | -66.1 | 0 | 0 | 0 | 0 | 113.3 | N3673 R3675 D3681 M3682 C3684 N3811 | N3673-C3679 WeakPolarHBondContact O-CB 3.24Å; N3673-C3679 PolarHBondContact O-N 2.98Å; R3675-C3679 PolarHBondContact O-N 3.11Å; C3679-D3681 PolarHBondContact O-N 3.07Å; C3679-D3681 VanDerWaalsContact O-N 3.16Å; C3679-M3682 CarbonylContact C-O 3.53Å; C3679-M3682 VanDerWaalsContact CB-O 3.25Å; C3679-M3682 WeakPolarHBondContact CB-O 3.38Å; C3679-M3682 VanDerWaalsContact O-O 3.07Å; C3679-C3684 HydrophobicContact CB-CB 4.1Å; C3679-C3684 WeakPolarHBondContact CB-SG 3.33Å; C3679-C3684 VanDerWaalsContact SG-CA 3.53Å; C3679-C3684 WeakPolarHBondContact SG-CA 3.24Å; C3679-C3684 WeakPolarHBondContact SG-CB 3.33Å; C3679-C3684 CovalentContact SG-SG 2.01Å; C3679-C3684 PolarHBondContact SG-SG 2.94Å; C3679-N3811 PolarHBondContact O-ND2 2.94Å |
| 3680 | N | 88.8 | Confident | 90.3 | Very high | 51.5 Ų | 51.5 | 31.1 Ų | 31.1 | 28% | 0.275 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | -98.4 | 177.4 | -168.1 | 42 | 0 | 0 | 0 | 113.9 | V3674 R3675 K3678 R3791 | V3674-N3680 CarbonylContact C-O 3.55Å; V3674-N3680 VanDerWaalsContact C-O 3.28Å; R3675-N3680 CarbonylContact C-O 3.57Å; R3675-N3680 VanDerWaalsContact C-O 3.25Å; R3675-N3680 VanDerWaalsContact CA-O 3.23Å; R3675-N3680 WeakPolarHBondContact CA-O 3.36Å; R3675-N3680 PolarHBondContact N-O 3.24Å; R3675-N3680 VanDerWaalsContact N-O 3.09Å; R3675-N3680 WeakPolarHBondContact O-CA 3.39Å; R3675-N3680 PolarHBondContact O-N 3Å; K3678-N3680 VanDerWaalsContact C-N 3.26Å; K3678-N3680 PolarHBondContact O-N 3.19Å; N3680-R3791 PolarHBondContact ND2-NH1 3.09Å |
| 3681 | D | 90.2 | Very high | 90.5 | Very high | 44.25 Ų | 44.25 | 27.2 Ų | 27.2 | 24% | 0.237 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 15.9 | -169.2 | 67.3 | -29.7 | 0 | 0 | 0 | 112.6 | C3679 G3721 R3726 R3791 | C3679-D3681 PolarHBondContact O-N 3.07Å; C3679-D3681 VanDerWaalsContact O-N 3.16Å; D3681-G3721 WeakPolarHBondContact O-CA 3.33Å; D3681-R3726 VanDerWaalsContact CG-NH2 3.33Å; D3681-R3726 PolarHBondContact O-NH2 3.02Å; D3681-R3726 IonicContact OD2-CZ 3.5Å; D3681-R3726 IonicContact OD2-NH1 2.99Å; D3681-R3726 PolarHBondContact OD2-NH1 3.22Å; D3681-R3726 VanDerWaalsContact OD2-NH1 3.16Å; D3681-R3726 IonicContact OD2-NH2 3.05Å; D3681-R3726 PolarHBondContact OD2-NH2 3.05Å; D3681-R3791 IonicContact OD1-CZ 3.34Å; D3681-R3791 IonicContact OD1-NH1 3.19Å; D3681-R3791 PolarHBondContact OD1-NH1 3.18Å; D3681-R3791 IonicContact OD1-NH2 3.27Å; D3681-R3791 PolarHBondContact OD1-NH2 3.01Å; D3681-R3791 IonicContact OD2-NH1 3.34Å |
| 3682 | M | 93.2 | Very high | 90.7 | Very high | 1.75 Ų | 1.75 | 24.6 Ų | 24.6 | 1% | 0.009 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -144.9 | 154.5 | 173.6 | -120.3 | 176.3 | 107.5 | 0 | 0 | 108.8 | C3679 Y3720 G3721 V3722 R3726 P3794 L3809 N3811 | C3679-M3682 CarbonylContact C-O 3.53Å; C3679-M3682 VanDerWaalsContact CB-O 3.25Å; C3679-M3682 WeakPolarHBondContact CB-O 3.38Å; C3679-M3682 VanDerWaalsContact O-O 3.07Å; M3682-Y3720 CarbonylContact C-O 3.53Å; M3682-Y3720 WeakPolarHBondContact CA-O 3.33Å; M3682-G3721 WeakPolarHBondContact CG-O 3.35Å; M3682-V3722 HydrophobicContact CE-CG2 3.92Å; M3682-V3722 HydrophobicContact CG-CG2 3.63Å; M3682-V3722 VanDerWaalsContact CG-CG2 3.49Å; M3682-V3722 HydrophobicContact SD-CG2 4.17Å; M3682-R3726 HydrophobicContact SD-CG 4.2Å; M3682-P3794 HydrophobicContact CE-CB 4Å; M3682-P3794 HydrophobicContact SD-CB 3.88Å; M3682-P3794 HydrophobicContact SD-CG 3.86Å; M3682-L3809 HydrophobicContact CE-CB 3.96Å; M3682-L3809 WeakPolarHBondContact CE-O 3.46Å; M3682-N3811 HydrophobicContact CB-CB 4.13Å; M3682-N3811 WeakPolarHBondContact CB-ND2 3.5Å; M3682-N3811 HydrophobicContact CE-CB 4.06Å; M3682-N3811 HydrophobicContact CG-CB 3.99Å; M3682-N3811 PolarHBondContact O-ND2 3.2Å; M3682-N3811 VanDerWaalsContact O-ND2 3.15Å; M3682-N3811 HydrophobicContact SD-CB 3.93Å |
| 3683 | E | 92.9 | Very high | 90.9 | Very high | 3.5 Ų | 3.5 | 22.5 Ų | 22.5 | 2% | 0.016 | 11% | 0.107 | C | C | . | . | trans | -57.5 | 156.1 | 172.6 | 69.5 | -166.1 | 167.3 | 0 | 0 | 112.9 | P3669 V3674 K3688 Y3720 V3722 N3811 | P3669-E3683 HydrophobicContact CB-CB 3.93Å; P3669-E3683 HydrophobicContact CB-CG 4.41Å; P3669-E3683 HydrophobicContact CG-CB 4.46Å; P3669-E3683 HydrophobicContact CG-CG 4.4Å; P3669-E3683 VanDerWaalsContact CG-OE1 3.29Å; P3669-E3683 WeakPolarHBondContact CG-OE1 3.03Å; V3674-E3683 HydrophobicContact CG2-CB 4.19Å; E3683-K3688 VanDerWaalsContact CD-CE 3.42Å; E3683-K3688 HydrophobicContact CG-CD 4.43Å; E3683-K3688 VanDerWaalsContact OE1-CE 3.25Å; E3683-K3688 WeakPolarHBondContact OE1-CE 3.35Å; E3683-K3688 IonicContact OE1-NZ 3.48Å; E3683-K3688 PolarHBondContact OE1-NZ 2.96Å; E3683-K3688 WeakPolarHBondContact OE2-CE 3.26Å; E3683-K3688 IonicContact OE2-NZ 3.01Å; E3683-K3688 PolarHBondContact OE2-NZ 2.98Å; E3683-Y3720 HydrophobicContact CB-CD1 4.19Å; E3683-Y3720 PolarHBondContact N-O 3Å; E3683-Y3720 WeakPolarHBondContact OE2-CD1 3.29Å; E3683-V3722 HydrophobicContact CG-CG2 3.8Å; E3683-V3722 WeakPolarHBondContact OE1-CG1 3.47Å; E3683-V3722 WeakPolarHBondContact OE1-CG2 3.25Å; E3683-V3722 WeakPolarHBondContact OE2-CG2 3.41Å; E3683-N3811 PolarHBondContact O-ND2 3.03Å | ||
| 3684 | C | 91.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | trans | -75 | 144 | 175.2 | -50.8 | 0 | 0 | 0 | 0 | 110.3 | E3642 P3669 C3679 | E3642-C3684 HydrophobicContact CB-CB 3.5Å; E3642-C3684 VanDerWaalsContact CB-CB 3.45Å; E3642-C3684 HydrophobicContact CG-CB 4.43Å; E3642-C3684 WeakPolarHBondContact O-CB 3.38Å; E3642-C3684 WeakPolarHBondContact OE2-CB 2.97Å; E3642-C3684 PolarHBondContact OE2-SG 3.08Å; E3642-C3684 VanDerWaalsContact OE2-SG 3.33Å; P3669-C3684 WeakPolarHBondContact CG-O 3.33Å; C3679-C3684 HydrophobicContact CB-CB 4.1Å; C3679-C3684 WeakPolarHBondContact CB-SG 3.33Å; C3679-C3684 VanDerWaalsContact SG-CA 3.53Å; C3679-C3684 WeakPolarHBondContact SG-CA 3.24Å; C3679-C3684 WeakPolarHBondContact SG-CB 3.33Å; C3679-C3684 CovalentContact SG-SG 2.01Å; C3679-C3684 PolarHBondContact SG-SG 2.94Å | ||
| 3685 | D | 89.9 | Confident | 91.4 | Very high | 12.25 Ų | 12.25 | 23.2 Ų | 23.2 | 7% | 0.066 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -91.8 | -13.8 | -170.6 | -52.6 | -22 | 0 | 0 | 0 | 114.7 | L3687 K3688 K3689 I3810 N3811 G3812 | D3685-L3687 VanDerWaalsContact C-N 3.34Å; D3685-L3687 PolarHBondContact O-N 3.1Å; D3685-K3688 CarbonylContact O-C 3.54Å; D3685-K3688 WeakPolarHBondContact O-CA 3.43Å; D3685-K3688 WeakPolarHBondContact O-CB 3.26Å; D3685-K3688 PolarHBondContact O-N 3.15Å; D3685-K3689 HydrophobicContact CB-CG 4.26Å; D3685-K3689 WeakPolarHBondContact O-CG 3.35Å; D3685-K3689 PolarHBondContact O-N 3.09Å; D3685-I3810 VanDerWaalsContact OD2-C 3.31Å; D3685-I3810 WeakPolarHBondContact OD2-CA 3.46Å; D3685-I3810 WeakPolarHBondContact OD2-CG2 3.25Å; D3685-N3811 PolarHBondContact OD1-N 3.28Å; D3685-N3811 WeakPolarHBondContact OD2-CA 3.25Å; D3685-N3811 PolarHBondContact OD2-N 3.07Å; D3685-G3812 PolarHBondContact OD2-N 3.06Å |
| 3686 | G | 90.2 | Very high | 91.8 | Very high | 1.5 Ų | 1.5 | 22.4 Ų | 22.4 | 2% | 0.015 | 11% | 0.11 | C | C | . | . | G | 310 helix | trans | -52.6 | -50.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | E3642 D3643 K3688 K3689 V3690 | E3642-G3686 VanDerWaalsContact O-CA 3.24Å; E3642-G3686 WeakPolarHBondContact O-CA 3.18Å; E3642-G3686 PolarHBondContact O-N 3Å; D3643-G3686 VanDerWaalsContact C-CA 3.47Å; D3643-G3686 WeakPolarHBondContact O-CA 3.12Å; G3686-K3688 PolarHBondContact O-N 3.17Å; G3686-K3688 VanDerWaalsContact O-N 3.12Å; G3686-K3689 PolarHBondContact O-N 3.06Å; G3686-K3689 VanDerWaalsContact O-N 3.09Å; G3686-V3690 VanDerWaalsContact O-CG2 3.24Å; G3686-V3690 WeakPolarHBondContact O-CG2 3.4Å |
| 3687 | L | 92.1 | Very high | 92.4 | Very high | 4 Ų | 4 | 17.3 Ų | 17.3 | 2% | 0.021 | 9% | 0.089 | C | C | . | . | G | 310 helix | trans | -70.4 | -11.6 | 178.2 | -60.9 | 176.9 | 0 | 0 | 0 | 113.5 | T3637 N3641 E3642 D3667 R3668 P3669 D3685 | T3637-L3687 HydrophobicContact CG2-CD2 4.06Å; N3641-L3687 WeakPolarHBondContact O-CD2 3.31Å; E3642-L3687 HydrophobicContact CG-CD1 4.22Å; D3667-L3687 HydrophobicContact CB-CD1 3.94Å; D3667-L3687 HydrophobicContact CB-CD2 4.34Å; R3668-L3687 WeakPolarHBondContact O-CD1 3.4Å; P3669-L3687 HydrophobicContact CG-CB 4.41Å; D3685-L3687 VanDerWaalsContact C-N 3.34Å; D3685-L3687 PolarHBondContact O-N 3.1Å |
| 3688 | K | 91.7 | Very high | 93.1 | Very high | 9 Ų | 9 | 16.2 Ų | 16.2 | 4% | 0.039 | 9% | 0.088 | C | C | . | . | G | 310 helix | trans | -99 | -1.5 | 178 | -67.7 | -168.4 | 165.2 | -164.5 | 0 | 114.1 | P3669 E3683 D3685 G3686 P3708 S3710 W3712 | P3669-K3688 HydrophobicContact CG-CD 4.33Å; P3669-K3688 HydrophobicContact CG-CG 4.14Å; E3683-K3688 VanDerWaalsContact CD-CE 3.42Å; E3683-K3688 HydrophobicContact CG-CD 4.43Å; E3683-K3688 VanDerWaalsContact OE1-CE 3.25Å; E3683-K3688 WeakPolarHBondContact OE1-CE 3.35Å; E3683-K3688 IonicContact OE1-NZ 3.48Å; E3683-K3688 PolarHBondContact OE1-NZ 2.96Å; E3683-K3688 WeakPolarHBondContact OE2-CE 3.26Å; E3683-K3688 IonicContact OE2-NZ 3.01Å; E3683-K3688 PolarHBondContact OE2-NZ 2.98Å; D3685-K3688 CarbonylContact O-C 3.54Å; D3685-K3688 WeakPolarHBondContact O-CA 3.43Å; D3685-K3688 WeakPolarHBondContact O-CB 3.26Å; D3685-K3688 PolarHBondContact O-N 3.15Å; G3686-K3688 PolarHBondContact O-N 3.17Å; G3686-K3688 VanDerWaalsContact O-N 3.12Å; K3688-P3708 VanDerWaalsContact C-CG 3.44Å; K3688-P3708 WeakPolarHBondContact O-CG 3.37Å; K3688-S3710 WeakPolarHBondContact CD-O 3.41Å; K3688-S3710 WeakPolarHBondContact CE-O 3.42Å; K3688-S3710 PolarHBondContact NZ-O 3.13Å; K3688-W3712 PolarHBondContact NZ-O 3.1Å; K3688-W3712 VanDerWaalsContact NZ-O 3.07Å |
| 3689 | K | 91.7 | Very high | 93.4 | Very high | 1.75 Ų | 1.75 | 14.8 Ų | 14.8 | 1% | 0.008 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -126.4 | 23 | -176.9 | -53.2 | -63.6 | 170.7 | -123.1 | 0 | 113.5 | D3685 G3686 S3710 I3777 D3808 M3832 V3834 | D3685-K3689 HydrophobicContact CB-CG 4.26Å; D3685-K3689 WeakPolarHBondContact O-CG 3.35Å; D3685-K3689 PolarHBondContact O-N 3.09Å; G3686-K3689 PolarHBondContact O-N 3.06Å; G3686-K3689 VanDerWaalsContact O-N 3.09Å; K3689-S3710 PolarHBondContact NZ-OG 2.97Å; K3689-I3777 VanDerWaalsContact O-CD1 3.29Å; K3689-I3777 WeakPolarHBondContact O-CD1 3.4Å; K3689-D3808 VanDerWaalsContact CE-OD2 3.28Å; K3689-D3808 WeakPolarHBondContact CE-OD2 3.3Å; K3689-D3808 IonicContact NZ-OD1 3.34Å; K3689-D3808 PolarHBondContact NZ-OD1 3.25Å; K3689-D3808 VanDerWaalsContact NZ-OD1 3.08Å; K3689-D3808 IonicContact NZ-OD2 3.02Å; K3689-D3808 PolarHBondContact NZ-OD2 3.23Å; K3689-M3832 HydrophobicContact CB-CB 4.24Å; K3689-M3832 WeakPolarHBondContact CD-O 3.42Å; K3689-M3832 HydrophobicContact CG-CB 4.44Å; K3689-V3834 HydrophobicContact CD-CG2 4.33Å |
| 3690 | V | 93.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -88.9 | 138.5 | -177.8 | -167.7 | 0 | 0 | 0 | 0 | 111.2 | W3635 T3637 V3645 Y3666 G3686 P3708 | W3635-V3690 HydrophobicContact CH2-CG1 3.77Å; W3635-V3690 HydrophobicContact CZ2-CG1 4.34Å; W3635-V3690 HydrophobicContact CZ3-CG1 4.33Å; T3637-V3690 HydrophobicContact CG2-CB 4.46Å; T3637-V3690 HydrophobicContact CG2-CG1 4.26Å; T3637-V3690 HydrophobicContact CG2-CG2 4.06Å; V3645-V3690 HydrophobicContact CB-CB 4.39Å; V3645-V3690 HydrophobicContact CB-CG1 4.01Å; V3645-V3690 HydrophobicContact CB-CG2 3.85Å; V3645-V3690 HydrophobicContact CG1-CB 4.45Å; V3645-V3690 HydrophobicContact CG1-CG1 3.84Å; V3645-V3690 HydrophobicContact CG1-CG2 4.19Å; V3645-V3690 HydrophobicContact CG2-CG2 4.1Å; Y3666-V3690 HydrophobicContact CD1-CB 4.14Å; Y3666-V3690 HydrophobicContact CD1-CG1 4.27Å; Y3666-V3690 HydrophobicContact CD1-CG2 4.41Å; Y3666-V3690 HydrophobicContact CE1-CB 3.84Å; Y3666-V3690 HydrophobicContact CE1-CG1 3.92Å; Y3666-V3690 HydrophobicContact CE1-CG2 4.4Å; Y3666-V3690 VanDerWaalsContact CE1-O 3.29Å; Y3666-V3690 WeakPolarHBondContact CE1-O 2.86Å; Y3666-V3690 HydrophobicContact CE2-CB 4.11Å; Y3666-V3690 HydrophobicContact CE2-CG1 4.31Å; Y3666-V3690 PolarHBondContact OH-O 2.81Å; G3686-V3690 VanDerWaalsContact O-CG2 3.24Å; G3686-V3690 WeakPolarHBondContact O-CG2 3.4Å; V3690-P3708 WeakPolarHBondContact O-CD 3.41Å | ||
| 3691 | L | 95.6 | Very high | 93.8 | Very high | 0.25 Ų | 0.25 | 16.4 Ų | 16.4 | 0% | 0.001 | 11% | 0.107 | C | C | . | . | trans | -121 | 130.7 | 176.2 | -62 | 179.2 | 0 | 0 | 0 | 111.3 | P3647 T3648 I3693 V3705 I3707 H3775 I3777 V3834 | P3647-L3691 WeakPolarHBondContact CA-O 3.41Å; P3647-L3691 HydrophobicContact CB-CB 4.14Å; P3647-L3691 HydrophobicContact CG-CB 4.33Å; P3647-L3691 HydrophobicContact CG-CD1 4.35Å; T3648-L3691 PolarHBondContact N-O 2.99Å; L3691-I3693 HydrophobicContact CB-CD1 4.3Å; L3691-I3693 HydrophobicContact CB-CG1 4.35Å; L3691-I3693 HydrophobicContact CD1-CD1 4.47Å; L3691-V3705 HydrophobicContact CD2-CG2 4.49Å; L3691-I3707 HydrophobicContact CD2-CG2 3.74Å; L3691-H3775 HydrophobicContact CD1-CB 4.42Å; L3691-H3775 HydrophobicContact CD2-CB 4.4Å; L3691-I3777 HydrophobicContact CD1-CD1 3.85Å; L3691-I3777 HydrophobicContact CD1-CG1 3.88Å; L3691-I3777 HydrophobicContact CG-CD1 4.07Å; L3691-I3777 HydrophobicContact CG-CG1 4.41Å; L3691-V3834 HydrophobicContact CD1-CG1 4.43Å; L3691-V3834 HydrophobicContact CD2-CG1 3.99Å; L3691-V3834 HydrophobicContact CD2-CG2 4.35Å | ||
| 3692 | V | 97.1 | Very high | 94 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 116.3 | 166.1 | 176.4 | 0 | 0 | 0 | 0 | 108.5 | W3635 T3648 F3650 V3664 Y3666 V3705 I3706 | W3635-V3692 HydrophobicContact CD2-CG2 4.04Å; W3635-V3692 HydrophobicContact CE3-CG2 4Å; W3635-V3692 HydrophobicContact CH2-CG2 3.72Å; W3635-V3692 HydrophobicContact CZ2-CG2 3.74Å; W3635-V3692 HydrophobicContact CZ3-CG2 3.86Å; T3648-V3692 WeakPolarHBondContact O-CA 3.33Å; F3650-V3692 HydrophobicContact CD2-CG1 3.83Å; F3650-V3692 HydrophobicContact CE2-CG1 3.62Å; V3664-V3692 HydrophobicContact CG1-CG2 4.43Å; V3664-V3692 HydrophobicContact CG2-CB 4.38Å; V3664-V3692 HydrophobicContact CG2-CG1 4.02Å; V3664-V3692 HydrophobicContact CG2-CG2 4.25Å; Y3666-V3692 HydrophobicContact CE1-CG2 4.07Å; Y3666-V3692 WeakPolarHBondContact OH-CG2 3.4Å; Y3666-V3692 PolarHBondContact OH-N 2.99Å; V3692-V3705 WeakPolarHBondContact O-CA 3.31Å; V3692-I3706 HydrophobicContact CB-CB 4.2Å; V3692-I3706 HydrophobicContact CB-CG1 4.47Å; V3692-I3706 PolarHBondContact N-O 2.9Å; V3692-I3706 PolarHBondContact O-N 2.97Å |
| 3693 | I | 97.2 | Very high | 94.2 | Very high | 6.75 Ų | 6.75 | 22 Ų | 22 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 113.7 | -170.9 | -61.8 | 165.2 | 0 | 0 | 0 | 109.2 | P3647 T3648 Y3649 F3650 L3691 K3695 V3705 | P3647-I3693 HydrophobicContact CB-CD1 4.45Å; T3648-I3693 PolarHBondContact O-N 2.97Å; Y3649-I3693 CarbonylContact C-O 3.5Å; Y3649-I3693 WeakPolarHBondContact CA-O 3.38Å; Y3649-I3693 HydrophobicContact CD1-CB 3.91Å; Y3649-I3693 HydrophobicContact CD1-CD1 3.94Å; Y3649-I3693 HydrophobicContact CD1-CG1 4.49Å; Y3649-I3693 HydrophobicContact CD1-CG2 4.12Å; Y3649-I3693 HydrophobicContact CE1-CB 4.31Å; Y3649-I3693 HydrophobicContact CE1-CD1 3.43Å; Y3649-I3693 VanDerWaalsContact CE1-CD1 3.43Å; Y3649-I3693 HydrophobicContact CE1-CG1 4.43Å; Y3649-I3693 HydrophobicContact CE1-CG2 4.47Å; F3650-I3693 PolarHBondContact N-O 3.06Å; L3691-I3693 HydrophobicContact CB-CD1 4.3Å; L3691-I3693 HydrophobicContact CB-CG1 4.35Å; L3691-I3693 HydrophobicContact CD1-CD1 4.47Å; I3693-K3695 HydrophobicContact CG2-CD 3.96Å; I3693-K3695 HydrophobicContact CG2-CG 4.14Å; I3693-V3705 HydrophobicContact CG1-CB 4.46Å; I3693-V3705 HydrophobicContact CG1-CG1 4.03Å; I3693-V3705 HydrophobicContact CG1-CG2 3.93Å; I3693-V3705 HydrophobicContact CG2-CG2 4.35Å |
| 3694 | D | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 100.8 | 169.2 | -179.3 | 5.3 | 0 | 0 | 0 | 108.9 | D3696 G3697 G3698 L3699 F3700 P3703 S3704 | D3694-D3696 PolarHBondContact O-N 2.73Å; D3694-G3697 VanDerWaalsContact CG-CA 3.49Å; D3694-G3697 WeakPolarHBondContact OD1-CA 3.31Å; D3694-G3697 PolarHBondContact OD1-N 2.89Å; D3694-G3697 WeakPolarHBondContact OD2-CA 3.28Å; D3694-G3698 PolarHBondContact OD1-N 2.86Å; D3694-L3699 HydrophobicContact CB-CB 4.26Å; D3694-L3699 WeakPolarHBondContact OD2-CA 3.28Å; D3694-L3699 WeakPolarHBondContact OD2-CB 3.31Å; D3694-L3699 PolarHBondContact OD2-N 2.77Å; D3694-F3700 HydrophobicContact CB-CD2 3.87Å; D3694-F3700 HydrophobicContact CB-CE2 4.43Å; D3694-F3700 PolarHBondContact OD2-N 3.2Å; D3694-P3703 WeakPolarHBondContact O-CA 3.27Å; D3694-S3704 WeakPolarHBondContact CA-O 3.41Å; D3694-S3704 WeakPolarHBondContact CB-O 3.38Å; D3694-S3704 PolarHBondContact N-O 3.11Å; D3694-S3704 PolarHBondContact O-N 3.04Å; D3694-S3704 VanDerWaalsContact O-N 3.1Å |
| 3695 | K | 95.6 | Very high | 94.6 | Very high | 64.75 Ų | 64.75 | 21.9 Ų | 21.9 | 28% | 0.282 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -70.2 | -32.1 | -168.8 | -78.4 | -97.7 | -175.9 | 178.1 | 0 | 112.8 | Y3649 F3650 I3693 K3771 | Y3649-K3695 VanDerWaalsContact CD1-CE 3.43Å; Y3649-K3695 HydrophobicContact CD1-CG 4.46Å; F3650-K3695 WeakPolarHBondContact O-CB 3.25Å; F3650-K3695 PolarHBondContact O-N 3.07Å; I3693-K3695 HydrophobicContact CG2-CD 3.96Å; I3693-K3695 HydrophobicContact CG2-CG 4.14Å; K3695-K3771 PolarHBondContact O-NZ 3Å |
| 3696 | D | 96.3 | Very high | 94.9 | Very high | 76 Ų | 76 | 21.3 Ų | 21.3 | 41% | 0.406 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -124 | -6.6 | -171.3 | 65.1 | -4.3 | 0 | 0 | 0 | 114.6 | G3652 D3694 G3698 | G3652-D3696 WeakPolarHBondContact CA-OD2 3.3Å; G3652-D3696 PolarHBondContact N-OD1 2.75Å; G3652-D3696 PolarHBondContact N-OD2 2.88Å; D3694-D3696 PolarHBondContact O-N 2.73Å; D3696-G3698 PolarHBondContact OD1-N 3.04Å |
| 3697 | G | 95.9 | Very high | 95.1 | Very high | 6.75 Ų | 6.75 | 21.2 Ų | 21.2 | 7% | 0.07 | 13% | 0.133 | C | C | . | . | S | Bend | trans | 92.3 | 5.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D3694 L3699 G3701 Q3702 P3703 | D3694-G3697 VanDerWaalsContact CG-CA 3.49Å; D3694-G3697 WeakPolarHBondContact OD1-CA 3.31Å; D3694-G3697 PolarHBondContact OD1-N 2.89Å; D3694-G3697 WeakPolarHBondContact OD2-CA 3.28Å; G3697-L3699 PolarHBondContact O-N 3.14Å; G3697-G3701 CarbonylContact O-C 3.5Å; G3697-G3701 VanDerWaalsContact O-C 3.28Å; G3697-G3701 WeakPolarHBondContact O-CA 3.27Å; G3697-G3701 PolarHBondContact O-N 3.02Å; G3697-Q3702 WeakPolarHBondContact CA-O 3.29Å; G3697-Q3702 PolarHBondContact O-N 2.92Å; G3697-P3703 VanDerWaalsContact CA-N 3.33Å |
| 3698 | G | 95.3 | Very high | 95.2 | Very high | 21.5 Ų | 21.5 | 21.2 Ų | 21.2 | 22% | 0.222 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -23.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T3653 D3694 D3696 | T3653-G3698 CarbonylContact C-O 3.36Å; T3653-G3698 CarbonylContact O-C 3.53Å; T3653-G3698 VanDerWaalsContact O-C 3.24Å; T3653-G3698 WeakPolarHBondContact O-CA 3.33Å; T3653-G3698 VanDerWaalsContact O-O 3.04Å; D3694-G3698 PolarHBondContact OD1-N 2.86Å; D3696-G3698 PolarHBondContact OD1-N 3.04Å |
| 3699 | L | 95.2 | Very high | 95.3 | Very high | 3.5 Ų | 3.5 | 22.4 Ų | 22.4 | 2% | 0.018 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -43.3 | -178.5 | -174.7 | 62 | 0 | 0 | 0 | 112.3 | I3620 F3650 T3653 T3655 I3663 D3694 G3697 | I3620-L3699 HydrophobicContact CD1-CD1 3.75Å; F3650-L3699 HydrophobicContact CB-CD2 4.36Å; F3650-L3699 HydrophobicContact CD1-CD2 3.89Å; F3650-L3699 HydrophobicContact CD2-CD2 3.91Å; F3650-L3699 HydrophobicContact CE1-CD2 4.05Å; F3650-L3699 HydrophobicContact CE2-CD2 4.09Å; F3650-L3699 HydrophobicContact CG-CD2 3.8Å; F3650-L3699 HydrophobicContact CZ-CD2 4.13Å; T3653-L3699 HydrophobicContact CG2-CB 4.37Å; T3653-L3699 HydrophobicContact CG2-CD1 4.02Å; T3655-L3699 HydrophobicContact CG2-CD1 4.05Å; T3655-L3699 WeakPolarHBondContact CG2-O 3.38Å; I3663-L3699 HydrophobicContact CD1-CD1 4.42Å; I3663-L3699 HydrophobicContact CD1-CG 4.47Å; I3663-L3699 WeakPolarHBondContact CD1-O 3.35Å; I3663-L3699 HydrophobicContact CG2-CD1 3.72Å; I3663-L3699 HydrophobicContact CG2-CD2 3.71Å; I3663-L3699 HydrophobicContact CG2-CG 3.7Å; D3694-L3699 HydrophobicContact CB-CB 4.26Å; D3694-L3699 WeakPolarHBondContact OD2-CA 3.28Å; D3694-L3699 WeakPolarHBondContact OD2-CB 3.31Å; D3694-L3699 PolarHBondContact OD2-N 2.77Å; G3697-L3699 PolarHBondContact O-N 3.14Å |
| 3700 | F | 94.3 | Very high | 95.3 | Very high | 12.25 Ų | 12.25 | 22.4 Ų | 22.4 | 5% | 0.054 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 3 | -174.9 | -68.5 | -77 | 0 | 0 | 0 | 115 | M3660 I3663 V3664 D3694 Q3702 I3706 M3764 K3768 | M3660-F3700 HydrophobicContact CG-CD1 4.29Å; M3660-F3700 HydrophobicContact CG-CE1 4.48Å; I3663-F3700 HydrophobicContact CB-CE1 3.94Å; I3663-F3700 HydrophobicContact CB-CZ 4.09Å; I3663-F3700 HydrophobicContact CD1-CD1 3.79Å; I3663-F3700 HydrophobicContact CD1-CE1 3.64Å; I3663-F3700 HydrophobicContact CD1-CZ 4.34Å; I3663-F3700 HydrophobicContact CG1-CE1 4.37Å; I3663-F3700 HydrophobicContact CG2-CE1 3.82Å; I3663-F3700 HydrophobicContact CG2-CE2 4.24Å; I3663-F3700 HydrophobicContact CG2-CZ 3.5Å; V3664-F3700 HydrophobicContact CG2-CZ 4.27Å; D3694-F3700 HydrophobicContact CB-CD2 3.87Å; D3694-F3700 HydrophobicContact CB-CE2 4.43Å; D3694-F3700 PolarHBondContact OD2-N 3.2Å; F3700-Q3702 VanDerWaalsContact C-N 3.28Å; F3700-Q3702 PolarHBondContact O-N 3.12Å; F3700-I3706 HydrophobicContact CD1-CD1 4.47Å; F3700-I3706 HydrophobicContact CD2-CD1 4.44Å; F3700-I3706 HydrophobicContact CE1-CD1 3.92Å; F3700-I3706 HydrophobicContact CE1-CG1 4.36Å; F3700-I3706 HydrophobicContact CE2-CD1 3.8Å; F3700-I3706 HydrophobicContact CE2-CG1 3.66Å; F3700-I3706 HydrophobicContact CZ-CD1 3.52Å; F3700-I3706 VanDerWaalsContact CZ-CD1 3.46Å; F3700-I3706 HydrophobicContact CZ-CG1 3.48Å; F3700-I3706 VanDerWaalsContact CZ-CG1 3.46Å; F3700-M3764 HydrophobicContact CE1-CE 3.99Å; F3700-M3764 HydrophobicContact CZ-CE 4.05Å; F3700-K3768 HydrophobicContact CB-CD 4.46Å; F3700-K3768 HydrophobicContact CD1-CD 3.9Å; F3700-K3768 HydrophobicContact CE1-CD 4.43Å; F3700-K3768 HydrophobicContact CG-CD 4.32Å |
| 3701 | G | 92.3 | Very high | 95.3 | Very high | 73 Ų | 73 | 24 Ų | 24 | 75% | 0.753 | 15% | 0.146 | S | C | * | . | S | Bend | trans | 86.3 | -13 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G3697 | G3697-G3701 CarbonylContact O-C 3.5Å; G3697-G3701 VanDerWaalsContact O-C 3.28Å; G3697-G3701 WeakPolarHBondContact O-CA 3.27Å; G3697-G3701 PolarHBondContact O-N 3.02Å |
| 3702 | Q | 94.2 | Very high | 95.2 | Very high | 108.75 Ų | 108.75 | 26.4 Ų | 26.4 | 51% | 0.508 | 16% | 0.155 | S | C | . | . | S | Bend | trans | -154.7 | 150.7 | 175.4 | 65.7 | -172.2 | 6.6 | 0 | 0 | 109.5 | G3697 F3700 S3704 | G3697-Q3702 WeakPolarHBondContact CA-O 3.29Å; G3697-Q3702 PolarHBondContact O-N 2.92Å; F3700-Q3702 VanDerWaalsContact C-N 3.28Å; F3700-Q3702 PolarHBondContact O-N 3.12Å; Q3702-S3704 WeakPolarHBondContact O-CB 3.34Å; Q3702-S3704 PolarHBondContact O-N 2.91Å; Q3702-S3704 VanDerWaalsContact O-N 3.09Å; Q3702-S3704 PolarHBondContact O-OG 3.1Å |
| 3703 | P | 97.1 | Very high | 95.1 | Very high | 54.5 Ų | 54.5 | 28 Ų | 28 | 35% | 0.354 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -52 | 119.2 | 177.8 | -26.4 | 33.1 | 0 | 0 | 0 | 111.6 | D3694 G3697 K3771 | D3694-P3703 WeakPolarHBondContact O-CA 3.27Å; G3697-P3703 VanDerWaalsContact CA-N 3.33Å; P3703-K3771 HydrophobicContact CB-CB 4.04Å; P3703-K3771 HydrophobicContact CB-CD 4.04Å; P3703-K3771 PolarHBondContact O-N 3.1Å |
| 3704 | S | 96.2 | Very high | 94.9 | Very high | 0.25 Ų | 0.25 | 28.5 Ų | 28.5 | 0% | 0.002 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 156.1 | -168.3 | -61 | 0 | 0 | 0 | 0 | 111.3 | D3694 Q3702 C3769 | D3694-S3704 WeakPolarHBondContact CA-O 3.41Å; D3694-S3704 WeakPolarHBondContact CB-O 3.38Å; D3694-S3704 PolarHBondContact N-O 3.11Å; D3694-S3704 PolarHBondContact O-N 3.04Å; D3694-S3704 VanDerWaalsContact O-N 3.1Å; Q3702-S3704 WeakPolarHBondContact O-CB 3.34Å; Q3702-S3704 PolarHBondContact O-N 2.91Å; Q3702-S3704 VanDerWaalsContact O-N 3.09Å; Q3702-S3704 PolarHBondContact O-OG 3.1Å; S3704-C3769 CarbonylContact C-O 3.45Å; S3704-C3769 VanDerWaalsContact CA-O 3.27Å; S3704-C3769 WeakPolarHBondContact CA-O 3.37Å; S3704-C3769 WeakPolarHBondContact CB-O 3.29Å |
| 3705 | V | 96.7 | Very high | 94.7 | Very high | 2.5 Ų | 2.5 | 32.7 Ų | 32.7 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.1 | 171 | 77.7 | 0 | 0 | 0 | 0 | 109.1 | L3691 V3692 I3693 I3707 C3769 H3775 | L3691-V3705 HydrophobicContact CD2-CG2 4.49Å; V3692-V3705 WeakPolarHBondContact O-CA 3.31Å; I3693-V3705 HydrophobicContact CG1-CB 4.46Å; I3693-V3705 HydrophobicContact CG1-CG1 4.03Å; I3693-V3705 HydrophobicContact CG1-CG2 3.93Å; I3693-V3705 HydrophobicContact CG2-CG2 4.35Å; V3705-I3707 HydrophobicContact CG1-CG2 3.83Å; V3705-I3707 HydrophobicContact CG2-CG2 3.93Å; V3705-C3769 HydrophobicContact CG1-CB 3.78Å; V3705-C3769 PolarHBondContact N-O 2.84Å; V3705-C3769 PolarHBondContact O-N 3.15Å; V3705-H3775 HydrophobicContact CG1-CB 4.26Å; V3705-H3775 VanDerWaalsContact CG1-ND1 3.33Å; V3705-H3775 WeakPolarHBondContact CG1-ND1 3.34Å; V3705-H3775 HydrophobicContact CG2-CB 4.43Å |
| 3706 | I | 96.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 123.3 | 173.1 | -47.1 | -55.1 | 0 | 0 | 0 | 108.1 | V3664 Y3666 V3692 F3700 M3764 A3766 Y3767 K3768 | V3664-I3706 HydrophobicContact CG1-CG2 4.17Å; V3664-I3706 HydrophobicContact CG2-CG1 4.45Å; Y3666-I3706 HydrophobicContact CD2-CG2 4.46Å; Y3666-I3706 HydrophobicContact CE2-CB 4.4Å; Y3666-I3706 HydrophobicContact CE2-CG2 3.71Å; Y3666-I3706 VanDerWaalsContact CE2-CG2 3.46Å; Y3666-I3706 PolarHBondContact OH-O 2.93Å; Y3666-I3706 VanDerWaalsContact OH-O 3.05Å; V3692-I3706 HydrophobicContact CB-CB 4.2Å; V3692-I3706 HydrophobicContact CB-CG1 4.47Å; V3692-I3706 PolarHBondContact N-O 2.9Å; V3692-I3706 PolarHBondContact O-N 2.97Å; F3700-I3706 HydrophobicContact CD1-CD1 4.47Å; F3700-I3706 HydrophobicContact CD2-CD1 4.44Å; F3700-I3706 HydrophobicContact CE1-CD1 3.92Å; F3700-I3706 HydrophobicContact CE1-CG1 4.36Å; F3700-I3706 HydrophobicContact CE2-CD1 3.8Å; F3700-I3706 HydrophobicContact CE2-CG1 3.66Å; F3700-I3706 HydrophobicContact CZ-CD1 3.52Å; F3700-I3706 VanDerWaalsContact CZ-CD1 3.46Å; F3700-I3706 HydrophobicContact CZ-CG1 3.48Å; F3700-I3706 VanDerWaalsContact CZ-CG1 3.46Å; I3706-M3764 HydrophobicContact CD1-CE 3.88Å; I3706-M3764 HydrophobicContact CG1-CE 4Å; I3706-M3764 HydrophobicContact CG2-CE 3.89Å; I3706-A3766 HydrophobicContact CG2-CB 3.58Å; I3706-Y3767 WeakPolarHBondContact CA-O 3.31Å; I3706-K3768 HydrophobicContact CD1-CB 3.68Å; I3706-K3768 HydrophobicContact CD1-CD 4.24Å; I3706-K3768 HydrophobicContact CD1-CG 3.57Å |
| 3707 | I | 95.3 | Very high | 94.5 | Very high | 0.25 Ų | 0.25 | 35 Ų | 35 | 0% | 0.001 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 141.4 | 179.9 | 62.2 | 175.9 | 0 | 0 | 0 | 110.2 | L3691 V3705 I3752 R3754 A3766 Y3767 C3769 | L3691-I3707 HydrophobicContact CD2-CG2 3.74Å; V3705-I3707 HydrophobicContact CG1-CG2 3.83Å; V3705-I3707 HydrophobicContact CG2-CG2 3.93Å; I3707-I3752 HydrophobicContact CB-CD1 4.26Å; I3707-I3752 HydrophobicContact CB-CG2 3.9Å; I3707-I3752 HydrophobicContact CD1-CB 4.15Å; I3707-I3752 HydrophobicContact CD1-CG2 3.48Å; I3707-I3752 HydrophobicContact CG1-CG2 4.12Å; I3707-I3752 HydrophobicContact CG2-CG2 3.95Å; I3707-R3754 HydrophobicContact CD1-CG 3.69Å; I3707-A3766 CarbonylContact O-C 3.5Å; I3707-A3766 VanDerWaalsContact O-CA 3.26Å; I3707-A3766 WeakPolarHBondContact O-CA 3.34Å; I3707-A3766 VanDerWaalsContact O-CB 3.25Å; I3707-A3766 WeakPolarHBondContact O-CB 3.2Å; I3707-Y3767 HydrophobicContact CG1-CD2 4.44Å; I3707-Y3767 HydrophobicContact CG1-CG 4.48Å; I3707-Y3767 PolarHBondContact N-O 2.83Å; I3707-Y3767 PolarHBondContact O-N 2.82Å; I3707-C3769 VanDerWaalsContact CD1-SG 3.56Å |
| 3708 | P | 93.8 | Very high | 94.3 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 155.9 | -180 | 25.7 | -33.6 | 0 | 0 | 0 | 111.3 | Y3666 K3688 V3690 S3710 I3752 | Y3666-P3708 HydrophobicContact CD1-CB 3.69Å; Y3666-P3708 HydrophobicContact CD1-CG 4.33Å; Y3666-P3708 HydrophobicContact CD2-CB 3.64Å; Y3666-P3708 HydrophobicContact CD2-CG 4.46Å; Y3666-P3708 HydrophobicContact CE1-CB 3.88Å; Y3666-P3708 HydrophobicContact CE1-CG 4.08Å; Y3666-P3708 HydrophobicContact CE2-CB 3.99Å; Y3666-P3708 HydrophobicContact CE2-CG 4.37Å; Y3666-P3708 HydrophobicContact CG-CB 4.31Å; K3688-P3708 VanDerWaalsContact C-CG 3.44Å; K3688-P3708 WeakPolarHBondContact O-CG 3.37Å; V3690-P3708 WeakPolarHBondContact O-CD 3.41Å; P3708-S3710 VanDerWaalsContact C-N 3.3Å; P3708-S3710 PolarHBondContact O-N 3.24Å; P3708-I3752 HydrophobicContact CG-CD1 3.91Å; P3708-I3752 WeakPolarHBondContact O-CD1 3.42Å |
| 3709 | Q | 93.9 | Very high | 94.2 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 16% | 0.159 | 25% | 0.25 | C | C | . | . | trans | -75.6 | 81.3 | 167.4 | -174.9 | -168.2 | 26 | 0 | 0 | 110 | R3668 E3711 W3712 Y3760 Q3765 Y3767 | R3668-Q3709 PolarHBondContact NH1-O 3.07Å; Q3709-E3711 VanDerWaalsContact C-N 3.29Å; Q3709-E3711 VanDerWaalsContact C-OE2 3.3Å; Q3709-E3711 WeakPolarHBondContact CA-OE2 3.2Å; Q3709-E3711 VanDerWaalsContact CG-CD 3.5Å; Q3709-E3711 HydrophobicContact CG-CG 4.09Å; Q3709-E3711 VanDerWaalsContact CG-OE1 3.23Å; Q3709-E3711 WeakPolarHBondContact CG-OE1 3.34Å; Q3709-E3711 WeakPolarHBondContact CG-OE2 3.34Å; Q3709-E3711 PolarHBondContact O-N 3.06Å; Q3709-W3712 HydrophobicContact CG-CB 4.32Å; Q3709-W3712 VanDerWaalsContact O-CB 3.3Å; Q3709-W3712 WeakPolarHBondContact O-CB 3.29Å; Q3709-W3712 PolarHBondContact O-N 3.14Å; Q3709-W3712 VanDerWaalsContact O-N 3.12Å; Q3709-Y3760 HydrophobicContact CB-CE2 4.11Å; Q3709-Y3760 HydrophobicContact CG-CE2 4.25Å; Q3709-Y3760 PolarHBondContact OE1-OH 2.98Å; Q3709-Q3765 PolarHBondContact N-O 2.94Å; Q3709-Y3767 HydrophobicContact CB-CD2 4.45Å; Q3709-Y3767 HydrophobicContact CB-CE2 4Å; Q3709-Y3767 HydrophobicContact CG-CE2 3.96Å | ||
| 3710 | S | 92.7 | Very high | 94.1 | Very high | 1.75 Ų | 1.75 | 45.6 Ų | 45.6 | 1% | 0.012 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -29.5 | -177.9 | -166.3 | 0 | 0 | 0 | 0 | 112.8 | K3688 K3689 P3708 W3712 G3750 D3808 | K3688-S3710 WeakPolarHBondContact CD-O 3.41Å; K3688-S3710 WeakPolarHBondContact CE-O 3.42Å; K3688-S3710 PolarHBondContact NZ-O 3.13Å; K3689-S3710 PolarHBondContact NZ-OG 2.97Å; P3708-S3710 VanDerWaalsContact C-N 3.3Å; P3708-S3710 PolarHBondContact O-N 3.24Å; S3710-W3712 VanDerWaalsContact C-N 3.25Å; S3710-W3712 PolarHBondContact O-N 3.24Å; S3710-G3750 CarbonylContact C-O 3.47Å; S3710-G3750 VanDerWaalsContact CB-O 3.27Å; S3710-G3750 WeakPolarHBondContact CB-O 3.43Å; S3710-G3750 PolarHBondContact OG-O 2.93Å; S3710-D3808 PolarHBondContact OG-OD1 3.3Å; S3710-D3808 VanDerWaalsContact OG-OD1 3.07Å; S3710-D3808 PolarHBondContact OG-OD2 3.3Å |
| 3711 | E | 92.8 | Very high | 94 | Very high | 33 Ų | 33 | 45.4 Ų | 45.4 | 15% | 0.154 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 0.8 | 180 | 71.3 | -86.2 | -151 | 0 | 0 | 115 | Q3709 Q3713 Y3714 K3749 G3750 S3751 R3754 Y3767 | Q3709-E3711 VanDerWaalsContact C-N 3.29Å; Q3709-E3711 VanDerWaalsContact C-OE2 3.3Å; Q3709-E3711 WeakPolarHBondContact CA-OE2 3.2Å; Q3709-E3711 VanDerWaalsContact CG-CD 3.5Å; Q3709-E3711 HydrophobicContact CG-CG 4.09Å; Q3709-E3711 VanDerWaalsContact CG-OE1 3.23Å; Q3709-E3711 WeakPolarHBondContact CG-OE1 3.34Å; Q3709-E3711 WeakPolarHBondContact CG-OE2 3.34Å; Q3709-E3711 PolarHBondContact O-N 3.06Å; E3711-Q3713 PolarHBondContact O-N 3.26Å; E3711-Y3714 VanDerWaalsContact O-CB 3.27Å; E3711-Y3714 WeakPolarHBondContact O-CB 3.39Å; E3711-Y3714 PolarHBondContact O-N 2.91Å; E3711-K3749 HydrophobicContact CB-CB 3.86Å; E3711-K3749 WeakPolarHBondContact CB-O 3.28Å; E3711-G3750 WeakPolarHBondContact CA-O 3.36Å; E3711-G3750 PolarHBondContact N-O 2.55Å; E3711-S3751 WeakPolarHBondContact CB-OG 3.1Å; E3711-R3754 VanDerWaalsContact CD-NH1 3.29Å; E3711-R3754 IonicContact OE1-CZ 3.17Å; E3711-R3754 VanDerWaalsContact OE1-CZ 3.28Å; E3711-R3754 IonicContact OE1-NH1 3.11Å; E3711-R3754 PolarHBondContact OE1-NH1 3.17Å; E3711-R3754 IonicContact OE1-NH2 3.71Å; E3711-R3754 PolarHBondContact OE1-NH2 3.36Å; E3711-R3754 IonicContact OE2-CZ 3.59Å; E3711-R3754 IonicContact OE2-NH1 3.33Å; E3711-R3754 PolarHBondContact OE2-NH1 2.97Å; E3711-R3754 IonicContact OE2-NH2 3.06Å; E3711-Y3767 VanDerWaalsContact OE1-CE2 3.26Å; E3711-Y3767 WeakPolarHBondContact OE1-CE2 3.47Å; E3711-Y3767 VanDerWaalsContact OE1-CZ 3.27Å; E3711-Y3767 PolarHBondContact OE1-OH 3.05Å |
| 3712 | W | 93.4 | Very high | 94.1 | Very high | 50.5 Ų | 50.5 | 42.4 Ų | 42.4 | 19% | 0.191 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 131.1 | 177.5 | -176.7 | 77.8 | 0 | 0 | 0 | 110.7 | R3668 K3688 Q3709 S3710 Y3714 Y3720 | R3668-W3712 HydrophobicContact CB-CE3 4.39Å; R3668-W3712 HydrophobicContact CB-CH2 3.79Å; R3668-W3712 HydrophobicContact CB-CZ2 4.21Å; R3668-W3712 HydrophobicContact CB-CZ3 3.89Å; R3668-W3712 HydrophobicContact CG-CD2 4.41Å; R3668-W3712 HydrophobicContact CG-CE3 4.45Å; R3668-W3712 HydrophobicContact CG-CH2 4.09Å; R3668-W3712 HydrophobicContact CG-CZ2 3.99Å; R3668-W3712 HydrophobicContact CG-CZ3 4.35Å; K3688-W3712 PolarHBondContact NZ-O 3.1Å; K3688-W3712 VanDerWaalsContact NZ-O 3.07Å; Q3709-W3712 HydrophobicContact CG-CB 4.32Å; Q3709-W3712 VanDerWaalsContact O-CB 3.3Å; Q3709-W3712 WeakPolarHBondContact O-CB 3.29Å; Q3709-W3712 PolarHBondContact O-N 3.14Å; Q3709-W3712 VanDerWaalsContact O-N 3.12Å; S3710-W3712 VanDerWaalsContact C-N 3.25Å; S3710-W3712 PolarHBondContact O-N 3.24Å; W3712-Y3714 VanDerWaalsContact C-N 3.28Å; W3712-Y3714 PolarHBondContact O-N 3.21Å; W3712-Y3720 HydrophobicContact CH2-CD1 4.45Å; W3712-Y3720 AromaticContact CH2-CE1 3.62Å; W3712-Y3720 HydrophobicContact CH2-CE1 3.62Å; W3712-Y3720 HydrophobicContact CH2-CE2 4.48Å; W3712-Y3720 AromaticContact CH2-CZ 3.61Å; W3712-Y3720 WeakPolarHBondContact CH2-OH 3.26Å; W3712-Y3720 AromaticContact CZ3-CD1 3.93Å; W3712-Y3720 HydrophobicContact CZ3-CD1 3.95Å; W3712-Y3720 AromaticContact CZ3-CE1 3.42Å; W3712-Y3720 HydrophobicContact CZ3-CE1 3.42Å; W3712-Y3720 VanDerWaalsContact CZ3-CE1 3.42Å; W3712-Y3720 AromaticContact CZ3-CZ 3.89Å |
| 3713 | Q | 94 | Very high | 94 | Very high | 34.25 Ų | 34.25 | 37.2 Ų | 37.2 | 16% | 0.16 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.7 | 0.5 | -172.8 | -58.1 | -65.3 | -14.7 | 0 | 0 | 117.6 | E3711 N3715 L3716 Y3720 V3722 | E3711-Q3713 PolarHBondContact O-N 3.26Å; Q3713-N3715 PolarHBondContact O-N 3.03Å; Q3713-N3715 VanDerWaalsContact O-N 3.14Å; Q3713-L3716 PolarHBondContact O-N 2.85Å; Q3713-Y3720 HydrophobicContact CB-CD1 4.46Å; Q3713-Y3720 HydrophobicContact CB-CD2 4.01Å; Q3713-Y3720 HydrophobicContact CB-CG 3.88Å; Q3713-Y3720 HydrophobicContact CG-CD1 4.14Å; Q3713-Y3720 HydrophobicContact CG-CD2 3.65Å; Q3713-Y3720 HydrophobicContact CG-CE1 4.33Å; Q3713-Y3720 HydrophobicContact CG-CE2 3.83Å; Q3713-Y3720 HydrophobicContact CG-CG 3.8Å; Q3713-V3722 HydrophobicContact CB-CG1 4.12Å |
| 3714 | Y | 93.9 | Very high | 93.8 | Very high | 17 Ų | 17 | 36.1 Ų | 36.1 | 7% | 0.067 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 118.8 | 179.8 | -163.4 | -71.9 | 0 | 0 | 0 | 111.7 | E3711 W3712 L3716 V3722 D3724 K3749 L3809 | E3711-Y3714 VanDerWaalsContact O-CB 3.27Å; E3711-Y3714 WeakPolarHBondContact O-CB 3.39Å; E3711-Y3714 PolarHBondContact O-N 2.91Å; W3712-Y3714 VanDerWaalsContact C-N 3.28Å; W3712-Y3714 PolarHBondContact O-N 3.21Å; Y3714-L3716 PolarHBondContact O-N 3.27Å; Y3714-L3716 VanDerWaalsContact O-N 3.12Å; Y3714-V3722 WeakPolarHBondContact CA-O 3.44Å; Y3714-V3722 HydrophobicContact CD2-CG1 3.45Å; Y3714-V3722 VanDerWaalsContact CD2-CG1 3.47Å; Y3714-V3722 HydrophobicContact CD2-CG2 3.61Å; Y3714-V3722 HydrophobicContact CE2-CG1 4.02Å; Y3714-V3722 HydrophobicContact CE2-CG2 4.23Å; Y3714-V3722 HydrophobicContact CG-CG1 4.12Å; Y3714-V3722 HydrophobicContact CG-CG2 4.25Å; Y3714-D3724 VanDerWaalsContact CE1-OD1 3.3Å; Y3714-D3724 WeakPolarHBondContact CE1-OD1 3.35Å; Y3714-D3724 PolarHBondContact OH-OD1 3.05Å; Y3714-D3724 VanDerWaalsContact OH-OD1 3.12Å; Y3714-K3749 HydrophobicContact CD1-CB 4.01Å; Y3714-K3749 HydrophobicContact CD1-CD 4.13Å; Y3714-K3749 HydrophobicContact CD1-CG 3.88Å; Y3714-K3749 HydrophobicContact CD2-CB 4.05Å; Y3714-K3749 HydrophobicContact CD2-CG 4.36Å; Y3714-K3749 HydrophobicContact CE1-CB 4.18Å; Y3714-K3749 HydrophobicContact CE1-CD 3.71Å; Y3714-K3749 HydrophobicContact CE1-CG 3.81Å; Y3714-K3749 HydrophobicContact CE2-CB 4.24Å; Y3714-K3749 HydrophobicContact CE2-CD 4.22Å; Y3714-K3749 HydrophobicContact CE2-CG 4.39Å; Y3714-K3749 HydrophobicContact CG-CB 3.96Å; Y3714-K3749 HydrophobicContact CG-CG 4.06Å; Y3714-L3809 HydrophobicContact CE2-CD1 3.79Å; Y3714-L3809 HydrophobicContact CE2-CG 4.24Å |
| 3715 | N | 93.5 | Very high | 93.6 | Very high | 88.5 Ų | 88.5 | 42.5 Ų | 42.5 | 47% | 0.473 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 12.8 | -174.7 | -69.4 | -23.7 | 0 | 0 | 0 | 115.4 | Q3713 V3722 G3723 D3724 | Q3713-N3715 PolarHBondContact O-N 3.03Å; Q3713-N3715 VanDerWaalsContact O-N 3.14Å; N3715-V3722 PolarHBondContact N-O 2.99Å; N3715-G3723 WeakPolarHBondContact OD1-CA 3.36Å; N3715-D3724 PolarHBondContact ND2-OD2 3.13Å; N3715-D3724 PolarHBondContact OD1-N 2.97Å |
| 3716 | L | 93.3 | Very high | 93.5 | Very high | 135.25 Ų | 135.25 | 45.7 Ų | 45.7 | 71% | 0.708 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -67.5 | -177.7 | -62.7 | 179.5 | 0 | 0 | 0 | 111.8 | Q3713 Y3714 | Q3713-L3716 PolarHBondContact O-N 2.85Å; Y3714-L3716 PolarHBondContact O-N 3.27Å; Y3714-L3716 VanDerWaalsContact O-N 3.12Å |
| 3717 | N | 93.8 | Very high | 93.4 | Very high | 54 Ų | 54 | 46 Ų | 46 | 29% | 0.289 | 24% | 0.237 | S | C | . | . | trans | -108.2 | 110 | 178.2 | -176.6 | -13.1 | 0 | 0 | 0 | 109.6 | I3719 Y3720 | N3717-I3719 PolarHBondContact O-N 2.88Å; N3717-I3719 VanDerWaalsContact O-N 3.08Å; N3717-I3719 WeakPolarHBondContact OD1-CB 3.36Å; N3717-I3719 VanDerWaalsContact OD1-CG1 3.3Å; N3717-I3719 WeakPolarHBondContact OD1-CG1 3.35Å; N3717-I3719 PolarHBondContact OD1-N 2.95Å; N3717-Y3720 HydrophobicContact CB-CD2 3.85Å; N3717-Y3720 HydrophobicContact CB-CE2 4.29Å; N3717-Y3720 PolarHBondContact O-N 2.95Å; N3717-Y3720 VanDerWaalsContact O-N 3.14Å | ||
| 3718 | P | 92.1 | Very high | 93.3 | Very high | 115 Ų | 115 | 46.1 Ų | 46.1 | 75% | 0.747 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -63.1 | -18.2 | -175.8 | 25.9 | -34.6 | 0 | 0 | 0 | 113.6 | Y3720 G3721 | P3718-Y3720 PolarHBondContact O-N 2.7Å; P3718-G3721 PolarHBondContact O-N 2.93Å |
| 3719 | I | 93.4 | Very high | 93.2 | Very high | 108.5 Ų | 108.5 | 50.6 Ų | 50.6 | 56% | 0.556 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -63.9 | -29.7 | 177.6 | -56.3 | 173.7 | 0 | 0 | 0 | 111.3 | V3671 V3674 N3717 G3721 | V3671-I3719 HydrophobicContact CG2-CB 4.29Å; V3671-I3719 HydrophobicContact CG2-CG2 3.38Å; V3671-I3719 VanDerWaalsContact CG2-CG2 3.4Å; V3674-I3719 VanDerWaalsContact CG1-O 3.28Å; V3674-I3719 WeakPolarHBondContact CG1-O 3.19Å; N3717-I3719 PolarHBondContact O-N 2.88Å; N3717-I3719 VanDerWaalsContact O-N 3.08Å; N3717-I3719 WeakPolarHBondContact OD1-CB 3.36Å; N3717-I3719 VanDerWaalsContact OD1-CG1 3.3Å; N3717-I3719 WeakPolarHBondContact OD1-CG1 3.35Å; N3717-I3719 PolarHBondContact OD1-N 2.95Å; I3719-G3721 PolarHBondContact O-N 3.15Å |
| 3720 | Y | 92.9 | Very high | 92.9 | Very high | 30.25 Ų | 30.25 | 53 Ų | 53 | 12% | 0.119 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -75.6 | -12.3 | 175.7 | -73.3 | -93.3 | 0 | 0 | 0 | 113 | V3671 M3682 E3683 W3712 Q3713 N3717 P3718 V3722 | V3671-Y3720 HydrophobicContact CB-CE1 4.01Å; V3671-Y3720 HydrophobicContact CB-CE2 4.44Å; V3671-Y3720 HydrophobicContact CG2-CD2 4.45Å; V3671-Y3720 HydrophobicContact CG2-CE1 4.38Å; V3671-Y3720 HydrophobicContact CG2-CE2 4.25Å; M3682-Y3720 CarbonylContact C-O 3.53Å; M3682-Y3720 WeakPolarHBondContact CA-O 3.33Å; E3683-Y3720 HydrophobicContact CB-CD1 4.19Å; E3683-Y3720 PolarHBondContact N-O 3Å; E3683-Y3720 WeakPolarHBondContact OE2-CD1 3.29Å; W3712-Y3720 HydrophobicContact CH2-CD1 4.45Å; W3712-Y3720 AromaticContact CH2-CE1 3.62Å; W3712-Y3720 HydrophobicContact CH2-CE1 3.62Å; W3712-Y3720 HydrophobicContact CH2-CE2 4.48Å; W3712-Y3720 AromaticContact CH2-CZ 3.61Å; W3712-Y3720 WeakPolarHBondContact CH2-OH 3.26Å; W3712-Y3720 AromaticContact CZ3-CD1 3.93Å; W3712-Y3720 HydrophobicContact CZ3-CD1 3.95Å; W3712-Y3720 AromaticContact CZ3-CE1 3.42Å; W3712-Y3720 HydrophobicContact CZ3-CE1 3.42Å; W3712-Y3720 VanDerWaalsContact CZ3-CE1 3.42Å; W3712-Y3720 AromaticContact CZ3-CZ 3.89Å; Q3713-Y3720 HydrophobicContact CB-CD1 4.46Å; Q3713-Y3720 HydrophobicContact CB-CD2 4.01Å; Q3713-Y3720 HydrophobicContact CB-CG 3.88Å; Q3713-Y3720 HydrophobicContact CG-CD1 4.14Å; Q3713-Y3720 HydrophobicContact CG-CD2 3.65Å; Q3713-Y3720 HydrophobicContact CG-CE1 4.33Å; Q3713-Y3720 HydrophobicContact CG-CE2 3.83Å; Q3713-Y3720 HydrophobicContact CG-CG 3.8Å; N3717-Y3720 HydrophobicContact CB-CD2 3.85Å; N3717-Y3720 HydrophobicContact CB-CE2 4.29Å; N3717-Y3720 PolarHBondContact O-N 2.95Å; N3717-Y3720 VanDerWaalsContact O-N 3.14Å; P3718-Y3720 PolarHBondContact O-N 2.7Å; Y3720-V3722 VanDerWaalsContact C-N 3.27Å; Y3720-V3722 PolarHBondContact O-N 2.92Å; Y3720-V3722 VanDerWaalsContact O-N 3.12Å |
| 3721 | G | 92.8 | Very high | 93 | Very high | 7.25 Ų | 7.25 | 53 Ų | 53 | 8% | 0.075 | 28% | 0.275 | C | S | . | . | trans | 68.8 | 14.7 | 174 | 0 | 0 | 0 | 0 | 0 | 115.5 | D3681 M3682 P3718 I3719 R3726 | D3681-G3721 WeakPolarHBondContact O-CA 3.33Å; M3682-G3721 WeakPolarHBondContact CG-O 3.35Å; P3718-G3721 PolarHBondContact O-N 2.93Å; I3719-G3721 PolarHBondContact O-N 3.15Å; G3721-R3726 VanDerWaalsContact O-CG 3.27Å; G3721-R3726 WeakPolarHBondContact O-CG 3.33Å; G3721-R3726 PolarHBondContact O-NE 3.15Å | ||
| 3722 | V | 92.9 | Very high | 93.1 | Very high | 10.75 Ų | 10.75 | 53.4 Ų | 53.4 | 7% | 0.065 | 28% | 0.278 | C | S | . | . | trans | -107.9 | 120.3 | -179.7 | 161.1 | 0 | 0 | 0 | 0 | 111.2 | M3682 E3683 Q3713 Y3714 N3715 Y3720 L3809 | M3682-V3722 HydrophobicContact CE-CG2 3.92Å; M3682-V3722 HydrophobicContact CG-CG2 3.63Å; M3682-V3722 VanDerWaalsContact CG-CG2 3.49Å; M3682-V3722 HydrophobicContact SD-CG2 4.17Å; E3683-V3722 HydrophobicContact CG-CG2 3.8Å; E3683-V3722 WeakPolarHBondContact OE1-CG1 3.47Å; E3683-V3722 WeakPolarHBondContact OE1-CG2 3.25Å; E3683-V3722 WeakPolarHBondContact OE2-CG2 3.41Å; Q3713-V3722 HydrophobicContact CB-CG1 4.12Å; Y3714-V3722 WeakPolarHBondContact CA-O 3.44Å; Y3714-V3722 HydrophobicContact CD2-CG1 3.45Å; Y3714-V3722 VanDerWaalsContact CD2-CG1 3.47Å; Y3714-V3722 HydrophobicContact CD2-CG2 3.61Å; Y3714-V3722 HydrophobicContact CE2-CG1 4.02Å; Y3714-V3722 HydrophobicContact CE2-CG2 4.23Å; Y3714-V3722 HydrophobicContact CG-CG1 4.12Å; Y3714-V3722 HydrophobicContact CG-CG2 4.25Å; N3715-V3722 PolarHBondContact N-O 2.99Å; Y3720-V3722 VanDerWaalsContact C-N 3.27Å; Y3720-V3722 PolarHBondContact O-N 2.92Å; Y3720-V3722 VanDerWaalsContact O-N 3.12Å; V3722-L3809 HydrophobicContact CG1-CD1 4.38Å; V3722-L3809 HydrophobicContact CG2-CD1 4.37Å | ||
| 3723 | G | 93.3 | Very high | 92.9 | Very high | 0.5 Ų | 0.5 | 54.2 Ų | 54.2 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 176.1 | 174.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N3715 N3725 R3726 L3809 | N3715-G3723 WeakPolarHBondContact OD1-CA 3.36Å; G3723-N3725 PolarHBondContact O-N 3.16Å; G3723-N3725 VanDerWaalsContact O-N 3.12Å; G3723-N3725 PolarHBondContact O-OD1 2.99Å; G3723-R3726 WeakPolarHBondContact O-CB 3.42Å; G3723-R3726 PolarHBondContact O-N 2.95Å; G3723-L3809 VanDerWaalsContact O-CD1 3.3Å; G3723-L3809 WeakPolarHBondContact O-CD1 3.37Å |
| 3724 | D | 93.4 | Very high | 92.5 | Very high | 31 Ų | 31 | 57.9 Ų | 57.9 | 17% | 0.166 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -61.5 | -25.8 | -175.7 | -68.4 | -45.7 | 0 | 0 | 0 | 112.7 | Y3714 N3715 R3726 I3727 P3742 K3749 | Y3714-D3724 VanDerWaalsContact CE1-OD1 3.3Å; Y3714-D3724 WeakPolarHBondContact CE1-OD1 3.35Å; Y3714-D3724 PolarHBondContact OH-OD1 3.05Å; Y3714-D3724 VanDerWaalsContact OH-OD1 3.12Å; N3715-D3724 PolarHBondContact ND2-OD2 3.13Å; N3715-D3724 PolarHBondContact OD1-N 2.97Å; D3724-R3726 PolarHBondContact O-N 3.15Å; D3724-R3726 VanDerWaalsContact O-N 3.16Å; D3724-I3727 HydrophobicContact CB-CD1 4.15Å; D3724-I3727 WeakPolarHBondContact O-CB 3.39Å; D3724-I3727 WeakPolarHBondContact O-CG1 3.41Å; D3724-I3727 PolarHBondContact O-N 3.28Å; D3724-I3727 VanDerWaalsContact O-N 3.13Å; D3724-I3727 WeakPolarHBondContact OD1-CD1 3.49Å; D3724-P3742 HydrophobicContact CB-CG 4.16Å; D3724-K3749 VanDerWaalsContact OD1-CE 3.22Å; D3724-K3749 WeakPolarHBondContact OD1-CE 3.29Å; D3724-K3749 IonicContact OD1-NZ 3.26Å; D3724-K3749 PolarHBondContact OD1-NZ 3.31Å; D3724-K3749 IonicContact OD2-NZ 3.2Å |
| 3725 | N | 92.1 | Very high | 91.7 | Very high | 133.5 Ų | 133.5 | 62.1 Ų | 62.1 | 71% | 0.714 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -65.6 | -11.4 | 174.8 | 67.5 | -34.9 | 0 | 0 | 0 | 114.1 | G3723 | G3723-N3725 PolarHBondContact O-N 3.16Å; G3723-N3725 VanDerWaalsContact O-N 3.12Å; G3723-N3725 PolarHBondContact O-OD1 2.99Å |
| 3726 | R | 92.9 | Very high | 91.2 | Very high | 71 Ų | 71 | 63.2 Ų | 63.2 | 27% | 0.268 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -99.3 | -3.2 | 176.1 | -65.1 | -55.1 | -168.1 | 175.8 | 6 | 113.7 | D3681 M3682 G3721 G3723 D3724 P3794 L3809 | D3681-R3726 VanDerWaalsContact CG-NH2 3.33Å; D3681-R3726 PolarHBondContact O-NH2 3.02Å; D3681-R3726 IonicContact OD2-CZ 3.5Å; D3681-R3726 IonicContact OD2-NH1 2.99Å; D3681-R3726 PolarHBondContact OD2-NH1 3.22Å; D3681-R3726 VanDerWaalsContact OD2-NH1 3.16Å; D3681-R3726 IonicContact OD2-NH2 3.05Å; D3681-R3726 PolarHBondContact OD2-NH2 3.05Å; M3682-R3726 HydrophobicContact SD-CG 4.2Å; G3721-R3726 VanDerWaalsContact O-CG 3.27Å; G3721-R3726 WeakPolarHBondContact O-CG 3.33Å; G3721-R3726 PolarHBondContact O-NE 3.15Å; G3723-R3726 WeakPolarHBondContact O-CB 3.42Å; G3723-R3726 PolarHBondContact O-N 2.95Å; D3724-R3726 PolarHBondContact O-N 3.15Å; D3724-R3726 VanDerWaalsContact O-N 3.16Å; R3726-P3794 HydrophobicContact CB-CG 4.15Å; R3726-P3794 VanDerWaalsContact O-CG 3.26Å; R3726-P3794 WeakPolarHBondContact O-CG 3.31Å; R3726-L3809 HydrophobicContact CB-CD1 3.83Å |
| 3727 | I | 94.9 | Very high | 90.7 | Very high | 5.5 Ų | 5.5 | 59.4 Ų | 59.4 | 3% | 0.028 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -66.1 | 129 | 174.6 | -61.9 | 168.8 | 0 | 0 | 0 | 108.2 | D3724 M3731 L3732 P3742 A3796 I3807 L3809 | D3724-I3727 HydrophobicContact CB-CD1 4.15Å; D3724-I3727 WeakPolarHBondContact O-CB 3.39Å; D3724-I3727 WeakPolarHBondContact O-CG1 3.41Å; D3724-I3727 PolarHBondContact O-N 3.28Å; D3724-I3727 VanDerWaalsContact O-N 3.13Å; D3724-I3727 WeakPolarHBondContact OD1-CD1 3.49Å; I3727-M3731 HydrophobicContact CG2-CB 3.96Å; I3727-M3731 HydrophobicContact CG2-CG 4.17Å; I3727-M3731 HydrophobicContact CG2-SD 3.92Å; I3727-L3732 HydrophobicContact CB-CD1 4.27Å; I3727-L3732 HydrophobicContact CB-CD2 4.24Å; I3727-L3732 HydrophobicContact CB-CG 4.28Å; I3727-L3732 HydrophobicContact CD1-CD2 4.3Å; I3727-L3732 HydrophobicContact CG2-CD1 4.34Å; I3727-L3732 HydrophobicContact CG2-CD2 3.75Å; I3727-L3732 HydrophobicContact CG2-CG 3.82Å; I3727-P3742 HydrophobicContact CD1-CB 3.6Å; I3727-P3742 HydrophobicContact CD1-CG 4.15Å; I3727-A3796 HydrophobicContact CG2-CB 4.42Å; I3727-I3807 HydrophobicContact CD1-CD1 3.76Å; I3727-I3807 HydrophobicContact CG1-CD1 3.9Å; I3727-I3807 HydrophobicContact CG2-CD1 4.36Å; I3727-L3809 HydrophobicContact CG1-CD2 4.06Å |
| 3728 | P | 93.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.019 | 33% | 0.334 | C | S | . | . | trans | -52.3 | 129.6 | 177.1 | -28.3 | 35.9 | 0 | 0 | 0 | 111.5 | R3730 M3731 A3796 | P3728-R3730 PolarHBondContact O-N 3.03Å; P3728-M3731 WeakPolarHBondContact O-CB 3.34Å; P3728-M3731 PolarHBondContact O-N 3.12Å; P3728-A3796 VanDerWaalsContact CD-CB 3.41Å; P3728-A3796 HydrophobicContact CG-CB 4.06Å | ||
| 3729 | P | 91 | Very high | 90.5 | Very high | 98 Ų | 98 | 59.2 Ų | 59.2 | 64% | 0.636 | 33% | 0.333 | S | S | * | . | G | 310 helix | trans | -55.6 | -30.6 | -175 | -29.9 | 35.6 | 0 | 0 | 0 | 114.9 | M3731 L3732 T3733 | P3729-M3731 VanDerWaalsContact C-N 3.29Å; P3729-M3731 PolarHBondContact O-N 2.98Å; P3729-L3732 PolarHBondContact O-N 3.14Å; P3729-L3732 VanDerWaalsContact O-N 3.08Å; P3729-T3733 PolarHBondContact O-N 3.12Å; P3729-T3733 PolarHBondContact O-OG1 2.93Å; P3729-T3733 VanDerWaalsContact O-OG1 3.1Å |
| 3730 | R | 89 | Confident | 90.4 | Very high | 84 Ų | 84 | 55.8 Ų | 55.8 | 32% | 0.317 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -60.5 | -36.2 | 175.2 | -73 | -152.5 | 42.1 | 99.4 | 4 | 112.8 | P3728 L3732 T3733 Y3844 D3871 F3873 Q4089 | P3728-R3730 PolarHBondContact O-N 3.03Å; R3730-L3732 VanDerWaalsContact C-N 3.26Å; R3730-L3732 PolarHBondContact O-N 3.18Å; R3730-T3733 PolarHBondContact O-N 2.99Å; R3730-T3733 VanDerWaalsContact O-O 3.13Å; R3730-Y3844 HydrophobicContact CB-CD1 4.28Å; R3730-D3871 WeakPolarHBondContact CD-OD2 3.37Å; R3730-D3871 IonicContact CZ-OD1 3.35Å; R3730-D3871 IonicContact CZ-OD2 3.14Å; R3730-D3871 IonicContact NE-OD1 3.03Å; R3730-D3871 PolarHBondContact NE-OD1 2.95Å; R3730-D3871 IonicContact NE-OD2 3.22Å; R3730-D3871 PolarHBondContact NE-OD2 2.94Å; R3730-D3871 IonicContact NH2-OD1 3.13Å; R3730-D3871 PolarHBondContact NH2-OD1 3Å; R3730-D3871 VanDerWaalsContact NH2-OD1 3.14Å; R3730-F3873 VanDerWaalsContact CZ-CB 3.42Å; R3730-Q4089 VanDerWaalsContact NH1-NE2 3.18Å |
| 3731 | M | 93.6 | Very high | 90.4 | Very high | 1.5 Ų | 1.5 | 58.2 Ų | 58.2 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -71.2 | -21.9 | 176.4 | -170.3 | 172.4 | -179.5 | 0 | 0 | 112.6 | I3727 P3728 P3729 T3733 I3740 W3746 A3796 A3798 I3807 V3842 Y3844 | I3727-M3731 HydrophobicContact CG2-CB 3.96Å; I3727-M3731 HydrophobicContact CG2-CG 4.17Å; I3727-M3731 HydrophobicContact CG2-SD 3.92Å; P3728-M3731 WeakPolarHBondContact O-CB 3.34Å; P3728-M3731 PolarHBondContact O-N 3.12Å; P3729-M3731 VanDerWaalsContact C-N 3.29Å; P3729-M3731 PolarHBondContact O-N 2.98Å; M3731-T3733 VanDerWaalsContact C-N 3.35Å; M3731-I3740 WeakPolarHBondContact O-CD1 3.36Å; M3731-W3746 HydrophobicContact CE-CD2 3.99Å; M3731-W3746 VanDerWaalsContact CE-CE2 3.45Å; M3731-W3746 HydrophobicContact CE-CE3 4.15Å; M3731-W3746 HydrophobicContact CE-CH2 3.41Å; M3731-W3746 VanDerWaalsContact CE-CH2 3.43Å; M3731-W3746 HydrophobicContact CE-CZ2 3.19Å; M3731-W3746 HydrophobicContact CE-CZ3 3.88Å; M3731-W3746 HydrophobicContact CG-CH2 3.63Å; M3731-W3746 HydrophobicContact CG-CZ2 4.27Å; M3731-W3746 HydrophobicContact CG-CZ3 4.14Å; M3731-W3746 HydrophobicContact SD-CH2 4.3Å; M3731-W3746 HydrophobicContact SD-CZ2 4.5Å; M3731-A3796 HydrophobicContact CE-CB 4.44Å; M3731-A3796 HydrophobicContact SD-CB 3.4Å; M3731-A3796 WeakPolarHBondContact SD-CB 3.43Å; M3731-A3798 HydrophobicContact CE-CB 3.6Å; M3731-I3807 HydrophobicContact CE-CD1 3.68Å; M3731-I3807 HydrophobicContact CE-CG1 4.39Å; M3731-I3807 HydrophobicContact SD-CD1 4.08Å; M3731-V3842 HydrophobicContact CE-CG2 4.45Å; M3731-Y3844 HydrophobicContact CB-CD1 3.77Å; M3731-Y3844 HydrophobicContact CB-CD2 3.89Å; M3731-Y3844 HydrophobicContact CB-CE1 4.15Å; M3731-Y3844 HydrophobicContact CB-CE2 4.29Å; M3731-Y3844 HydrophobicContact CB-CG 3.63Å; M3731-Y3844 HydrophobicContact CE-CD2 4.34Å; M3731-Y3844 HydrophobicContact CG-CD1 4.39Å; M3731-Y3844 HydrophobicContact CG-CD2 3.64Å; M3731-Y3844 HydrophobicContact CG-CE2 3.87Å; M3731-Y3844 HydrophobicContact CG-CG 3.94Å; M3731-Y3844 HydrophobicContact SD-CD2 3.67Å; M3731-Y3844 HydrophobicContact SD-CE2 4.33Å; M3731-Y3844 HydrophobicContact SD-CG 4.1Å |
| 3732 | L | 94.2 | Very high | 90.3 | Very high | 42.5 Ų | 42.5 | 58.8 Ų | 58.8 | 22% | 0.223 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -91.5 | 4.4 | -179.9 | -61.3 | 178.9 | 0 | 0 | 0 | 113.2 | I3727 P3729 R3730 S3739 I3740 P3742 | I3727-L3732 HydrophobicContact CB-CD1 4.27Å; I3727-L3732 HydrophobicContact CB-CD2 4.24Å; I3727-L3732 HydrophobicContact CB-CG 4.28Å; I3727-L3732 HydrophobicContact CD1-CD2 4.3Å; I3727-L3732 HydrophobicContact CG2-CD1 4.34Å; I3727-L3732 HydrophobicContact CG2-CD2 3.75Å; I3727-L3732 HydrophobicContact CG2-CG 3.82Å; P3729-L3732 PolarHBondContact O-N 3.14Å; P3729-L3732 VanDerWaalsContact O-N 3.08Å; R3730-L3732 VanDerWaalsContact C-N 3.26Å; R3730-L3732 PolarHBondContact O-N 3.18Å; L3732-S3739 CarbonylContact O-C 3.54Å; L3732-S3739 VanDerWaalsContact O-CA 3.3Å; L3732-S3739 WeakPolarHBondContact O-CA 3.26Å; L3732-I3740 PolarHBondContact O-N 2.91Å; L3732-P3742 HydrophobicContact CD2-CB 3.97Å; L3732-P3742 HydrophobicContact CD2-CG 4.04Å |
| 3733 | T | 90.4 | Very high | 90.2 | Very high | 67.5 Ų | 67.5 | 62.2 Ų | 62.2 | 41% | 0.414 | 35% | 0.354 | S | S | . | . | B | Isolated β-bridge | trans | -131.9 | 125.8 | -175.9 | -48.8 | 0 | 0 | 0 | 0 | 110.1 | P3729 R3730 M3731 | P3729-T3733 PolarHBondContact O-N 3.12Å; P3729-T3733 PolarHBondContact O-OG1 2.93Å; P3729-T3733 VanDerWaalsContact O-OG1 3.1Å; R3730-T3733 PolarHBondContact O-N 2.99Å; R3730-T3733 VanDerWaalsContact O-O 3.13Å; M3731-T3733 VanDerWaalsContact C-N 3.35Å |
| 3734 | K | 84.5 | Confident | 90.2 | Very high | 111 Ų | 111 | 68.5 Ų | 68.5 | 48% | 0.483 | 39% | 0.386 | S | S | . | . | trans | -73.5 | 164.1 | 173.2 | -64.1 | -170.6 | -160.2 | 164.7 | 0 | 110.9 | D3736 G3737 T3738 I3740 | K3734-D3736 VanDerWaalsContact CB-OD1 3.24Å; K3734-D3736 WeakPolarHBondContact CB-OD1 3.27Å; K3734-D3736 PolarHBondContact O-N 3.19Å; K3734-D3736 VanDerWaalsContact O-N 3.13Å; K3734-G3737 PolarHBondContact O-N 2.99Å; K3734-T3738 WeakPolarHBondContact CD-OG1 3.37Å; K3734-T3738 PolarHBondContact N-O 3.15Å; K3734-I3740 HydrophobicContact CG-CD1 3.83Å; K3734-I3740 HydrophobicContact CG-CG1 3.66Å | ||
| 3735 | V | 78.1 | Confident | 90.1 | Very high | 104.75 Ų | 104.75 | 70.9 Ų | 70.9 | 64% | 0.635 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -28.4 | 175.5 | -175.8 | 0 | 0 | 0 | 0 | 112.6 | G3737 T3928 | V3735-G3737 VanDerWaalsContact C-N 3.27Å; V3735-G3737 PolarHBondContact O-N 2.99Å; V3735-T3928 HydrophobicContact CG1-CG2 4.21Å |
| 3736 | D | 83.1 | Confident | 90.2 | Very high | 113 Ų | 113 | 65.2 Ų | 65.2 | 60% | 0.604 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | 0.2 | 176.7 | 67.6 | 5.9 | 0 | 0 | 0 | 114.4 | K3734 T3738 | K3734-D3736 VanDerWaalsContact CB-OD1 3.24Å; K3734-D3736 WeakPolarHBondContact CB-OD1 3.27Å; K3734-D3736 PolarHBondContact O-N 3.19Å; K3734-D3736 VanDerWaalsContact O-N 3.13Å; D3736-T3738 VanDerWaalsContact OD1-CB 3.3Å; D3736-T3738 WeakPolarHBondContact OD1-CB 3.23Å; D3736-T3738 WeakPolarHBondContact OD1-CG2 3.46Å; D3736-T3738 PolarHBondContact OD1-N 2.92Å; D3736-T3738 PolarHBondContact OD1-OG1 3.18Å; D3736-T3738 PolarHBondContact OD2-OG1 3.04Å |
| 3737 | G | 83.3 | Confident | 90.2 | Very high | 54 Ų | 54 | 64.7 Ų | 64.7 | 56% | 0.557 | 37% | 0.371 | S | S | * | . | S | Bend | trans | 85.4 | -0.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | K3734 V3735 | K3734-G3737 PolarHBondContact O-N 2.99Å; V3735-G3737 VanDerWaalsContact C-N 3.27Å; V3735-G3737 PolarHBondContact O-N 2.99Å |
| 3738 | T | 90 | Very high | 90.1 | Very high | 62.75 Ų | 62.75 | 66.8 Ų | 66.8 | 39% | 0.385 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 141.8 | 176.4 | 62.7 | 0 | 0 | 0 | 0 | 111.8 | K3734 D3736 | K3734-T3738 WeakPolarHBondContact CD-OG1 3.37Å; K3734-T3738 PolarHBondContact N-O 3.15Å; D3736-T3738 VanDerWaalsContact OD1-CB 3.3Å; D3736-T3738 WeakPolarHBondContact OD1-CB 3.23Å; D3736-T3738 WeakPolarHBondContact OD1-CG2 3.46Å; D3736-T3738 PolarHBondContact OD1-N 2.92Å; D3736-T3738 PolarHBondContact OD1-OG1 3.18Å; D3736-T3738 PolarHBondContact OD2-OG1 3.04Å |
| 3739 | S | 91.1 | Very high | 89.9 | Confident | 103.25 Ų | 103.25 | 68.1 Ų | 68.1 | 72% | 0.722 | 39% | 0.388 | S | S | * | . | B | Isolated β-bridge | trans | -74.1 | 144.4 | 178.4 | 3.6 | 0 | 0 | 0 | 0 | 112.2 | L3732 | L3732-S3739 CarbonylContact O-C 3.54Å; L3732-S3739 VanDerWaalsContact O-CA 3.3Å; L3732-S3739 WeakPolarHBondContact O-CA 3.26Å |
| 3740 | I | 91.5 | Very high | 89.4 | Confident | 35.75 Ų | 35.75 | 63.5 Ų | 63.5 | 18% | 0.183 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -97.8 | 127.7 | 172.9 | -60.8 | 173.5 | 0 | 0 | 0 | 108.1 | M3731 L3732 K3734 P3742 Q3745 W3746 | M3731-I3740 WeakPolarHBondContact O-CD1 3.36Å; L3732-I3740 PolarHBondContact O-N 2.91Å; K3734-I3740 HydrophobicContact CG-CD1 3.83Å; K3734-I3740 HydrophobicContact CG-CG1 3.66Å; I3740-P3742 VanDerWaalsContact O-CD 3.29Å; I3740-P3742 WeakPolarHBondContact O-CD 3.27Å; I3740-Q3745 HydrophobicContact CG2-CB 3.68Å; I3740-Q3745 HydrophobicContact CG2-CG 3.97Å; I3740-W3746 HydrophobicContact CG2-CH2 4.31Å; I3740-W3746 HydrophobicContact CG2-CZ3 4Å |
| 3741 | N | 92.4 | Very high | 88.5 | Confident | 82.25 Ų | 82.25 | 59.5 Ų | 59.5 | 44% | 0.44 | 34% | 0.343 | S | S | . | . | trans | -80.5 | 112 | 170.6 | -176.9 | -25 | 0 | 0 | 0 | 109 | T3743 I3744 Q3745 | N3741-T3743 VanDerWaalsContact C-N 3.25Å; N3741-T3743 PolarHBondContact O-N 3.22Å; N3741-T3743 VanDerWaalsContact OD1-CB 3.26Å; N3741-T3743 WeakPolarHBondContact OD1-CB 3.36Å; N3741-T3743 PolarHBondContact OD1-N 3.13Å; N3741-T3743 PolarHBondContact OD1-OG1 3.23Å; N3741-I3744 HydrophobicContact CB-CB 4.33Å; N3741-I3744 HydrophobicContact CB-CD1 4.03Å; N3741-I3744 HydrophobicContact CB-CG1 4.15Å; N3741-I3744 PolarHBondContact O-N 3.14Å; N3741-I3744 VanDerWaalsContact O-N 3.12Å; N3741-Q3745 PolarHBondContact O-N 3.1Å; N3741-Q3745 VanDerWaalsContact O-N 3.09Å | ||
| 3742 | P | 92 | Very high | 88.1 | Confident | 19.75 Ų | 19.75 | 59.6 Ų | 59.6 | 13% | 0.128 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.7 | -24.7 | -175.4 | 28.6 | -35.2 | 0 | 0 | 0 | 112.7 | D3724 I3727 L3732 I3740 I3744 W3746 K3749 | D3724-P3742 HydrophobicContact CB-CG 4.16Å; I3727-P3742 HydrophobicContact CD1-CB 3.6Å; I3727-P3742 HydrophobicContact CD1-CG 4.15Å; L3732-P3742 HydrophobicContact CD2-CB 3.97Å; L3732-P3742 HydrophobicContact CD2-CG 4.04Å; I3740-P3742 VanDerWaalsContact O-CD 3.29Å; I3740-P3742 WeakPolarHBondContact O-CD 3.27Å; P3742-I3744 VanDerWaalsContact C-N 3.31Å; P3742-I3744 PolarHBondContact O-N 2.82Å; P3742-W3746 HydrophobicContact CB-CE3 4.2Å; P3742-W3746 CarbonylContact O-C 3.53Å; P3742-W3746 VanDerWaalsContact O-C 3.23Å; P3742-W3746 WeakPolarHBondContact O-CA 3.37Å; P3742-W3746 PolarHBondContact O-N 3.11Å; P3742-W3746 VanDerWaalsContact O-O 3.14Å; P3742-K3749 PolarHBondContact O-NZ 3.21Å |
| 3743 | T | 90.9 | Very high | 87.9 | Confident | 82.25 Ų | 82.25 | 57.8 Ų | 57.8 | 51% | 0.505 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -70 | -29.6 | 176.2 | -50.1 | 0 | 0 | 0 | 0 | 112.2 | N3741 P3747 | N3741-T3743 VanDerWaalsContact C-N 3.25Å; N3741-T3743 PolarHBondContact O-N 3.22Å; N3741-T3743 VanDerWaalsContact OD1-CB 3.26Å; N3741-T3743 WeakPolarHBondContact OD1-CB 3.36Å; N3741-T3743 PolarHBondContact OD1-N 3.13Å; N3741-T3743 PolarHBondContact OD1-OG1 3.23Å; T3743-P3747 VanDerWaalsContact O-CA 3.3Å; T3743-P3747 WeakPolarHBondContact O-CA 3.31Å; T3743-P3747 WeakPolarHBondContact O-CB 3.42Å |
| 3744 | I | 92 | Very high | 88 | Confident | 131.75 Ų | 131.75 | 56.4 Ų | 56.4 | 68% | 0.676 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -85.2 | -45.8 | 177.2 | -61.3 | 177 | 0 | 0 | 0 | 110.2 | N3741 P3742 | N3741-I3744 HydrophobicContact CB-CB 4.33Å; N3741-I3744 HydrophobicContact CB-CD1 4.03Å; N3741-I3744 HydrophobicContact CB-CG1 4.15Å; N3741-I3744 PolarHBondContact O-N 3.14Å; N3741-I3744 VanDerWaalsContact O-N 3.12Å; P3742-I3744 VanDerWaalsContact C-N 3.31Å; P3742-I3744 PolarHBondContact O-N 2.82Å |
| 3745 | Q | 91.9 | Very high | 88.3 | Confident | 82.25 Ų | 82.25 | 53.6 Ų | 53.6 | 38% | 0.384 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -73.2 | -39.3 | -174.9 | -172.8 | 65.4 | 18.7 | 0 | 0 | 112.4 | I3740 N3741 N3805 | I3740-Q3745 HydrophobicContact CG2-CB 3.68Å; I3740-Q3745 HydrophobicContact CG2-CG 3.97Å; N3741-Q3745 PolarHBondContact O-N 3.1Å; N3741-Q3745 VanDerWaalsContact O-N 3.09Å; Q3745-N3805 WeakPolarHBondContact O-CB 3.26Å; Q3745-N3805 PolarHBondContact O-ND2 3.11Å |
| 3746 | W | 93 | Very high | 89 | Confident | 13.5 Ų | 13.5 | 54.8 Ų | 54.8 | 5% | 0.051 | 33% | 0.325 | C | S | . | . | trans | -131.2 | 74 | 179.3 | -56.4 | -79.7 | 0 | 0 | 0 | 110.3 | M3731 I3740 P3742 N3748 K3749 A3798 T3799 N3805 I3807 | M3731-W3746 HydrophobicContact CE-CD2 3.99Å; M3731-W3746 VanDerWaalsContact CE-CE2 3.45Å; M3731-W3746 HydrophobicContact CE-CE3 4.15Å; M3731-W3746 HydrophobicContact CE-CH2 3.41Å; M3731-W3746 VanDerWaalsContact CE-CH2 3.43Å; M3731-W3746 HydrophobicContact CE-CZ2 3.19Å; M3731-W3746 HydrophobicContact CE-CZ3 3.88Å; M3731-W3746 HydrophobicContact CG-CH2 3.63Å; M3731-W3746 HydrophobicContact CG-CZ2 4.27Å; M3731-W3746 HydrophobicContact CG-CZ3 4.14Å; M3731-W3746 HydrophobicContact SD-CH2 4.3Å; M3731-W3746 HydrophobicContact SD-CZ2 4.5Å; I3740-W3746 HydrophobicContact CG2-CH2 4.31Å; I3740-W3746 HydrophobicContact CG2-CZ3 4Å; P3742-W3746 HydrophobicContact CB-CE3 4.2Å; P3742-W3746 CarbonylContact O-C 3.53Å; P3742-W3746 VanDerWaalsContact O-C 3.23Å; P3742-W3746 WeakPolarHBondContact O-CA 3.37Å; P3742-W3746 PolarHBondContact O-N 3.11Å; P3742-W3746 VanDerWaalsContact O-O 3.14Å; W3746-N3748 PolarHBondContact O-N 3.3Å; W3746-K3749 VanDerWaalsContact O-CD 3.31Å; W3746-K3749 WeakPolarHBondContact O-CD 3.07Å; W3746-K3749 WeakPolarHBondContact O-CE 3.49Å; W3746-K3749 PolarHBondContact O-NZ 3.15Å; W3746-K3749 VanDerWaalsContact O-NZ 3.07Å; W3746-A3798 HydrophobicContact CG-CB 4.43Å; W3746-T3799 PolarHBondContact NE1-O 3.01Å; W3746-N3805 CarbonylContact C-O 3.54Å; W3746-N3805 VanDerWaalsContact CD1-CB 3.46Å; W3746-N3805 HydrophobicContact CG-CB 4.35Å; W3746-I3807 HydrophobicContact CB-CB 3.71Å; W3746-I3807 HydrophobicContact CB-CG2 3.55Å; W3746-I3807 HydrophobicContact CD2-CD1 4.3Å; W3746-I3807 HydrophobicContact CE3-CD1 4.22Å; W3746-I3807 HydrophobicContact CG-CB 3.9Å; W3746-I3807 HydrophobicContact CG-CD1 4.48Å; W3746-I3807 HydrophobicContact CG-CG2 4.26Å | ||
| 3747 | P | 92.9 | Very high | 89.5 | Confident | 60.25 Ų | 60.25 | 51.2 Ų | 51.2 | 39% | 0.391 | 31% | 0.308 | S | S | . | . | trans | -64.1 | -28.1 | -177.4 | 25.7 | -35.2 | 0 | 0 | 0 | 112.9 | T3743 K3749 A3804 N3805 | T3743-P3747 VanDerWaalsContact O-CA 3.3Å; T3743-P3747 WeakPolarHBondContact O-CA 3.31Å; T3743-P3747 WeakPolarHBondContact O-CB 3.42Å; P3747-K3749 PolarHBondContact O-N 3.3Å; P3747-A3804 HydrophobicContact CG-CB 4.04Å; P3747-N3805 WeakPolarHBondContact CD-O 3.29Å | ||
| 3748 | N | 93.5 | Very high | 90.1 | Very high | 49.75 Ų | 49.75 | 49.6 Ų | 49.6 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 122.5 | 179.5 | -59.2 | -48.1 | 0 | 0 | 0 | 110.8 | W3746 A3804 N3805 Y3806 I3807 | W3746-N3748 PolarHBondContact O-N 3.3Å; N3748-A3804 WeakPolarHBondContact ND2-CB 3.21Å; N3748-A3804 PolarHBondContact ND2-O 2.85Å; N3748-N3805 PolarHBondContact N-O 3.16Å; N3748-N3805 VanDerWaalsContact N-O 3.16Å; N3748-Y3806 HydrophobicContact CB-CD1 3.27Å; N3748-Y3806 HydrophobicContact CB-CD2 4.21Å; N3748-Y3806 HydrophobicContact CB-CE1 3.37Å; N3748-Y3806 VanDerWaalsContact CB-CE1 3.44Å; N3748-Y3806 HydrophobicContact CB-CE2 4.3Å; N3748-Y3806 HydrophobicContact CB-CG 3.71Å; N3748-Y3806 CarbonylContact O-C 3.51Å; N3748-Y3806 VanDerWaalsContact O-CA 3.24Å; N3748-Y3806 WeakPolarHBondContact O-CA 3.22Å; N3748-I3807 PolarHBondContact O-N 3.22Å |
| 3749 | K | 90.6 | Very high | 90.4 | Very high | 30.75 Ų | 30.75 | 51.5 Ų | 51.5 | 13% | 0.134 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 149.6 | -178 | -53.1 | -55.4 | -177 | 176.5 | 0 | 111.7 | E3711 Y3714 D3724 P3742 W3746 P3747 S3751 R3754 I3807 | E3711-K3749 HydrophobicContact CB-CB 3.86Å; E3711-K3749 WeakPolarHBondContact CB-O 3.28Å; Y3714-K3749 HydrophobicContact CD1-CB 4.01Å; Y3714-K3749 HydrophobicContact CD1-CD 4.13Å; Y3714-K3749 HydrophobicContact CD1-CG 3.88Å; Y3714-K3749 HydrophobicContact CD2-CB 4.05Å; Y3714-K3749 HydrophobicContact CD2-CG 4.36Å; Y3714-K3749 HydrophobicContact CE1-CB 4.18Å; Y3714-K3749 HydrophobicContact CE1-CD 3.71Å; Y3714-K3749 HydrophobicContact CE1-CG 3.81Å; Y3714-K3749 HydrophobicContact CE2-CB 4.24Å; Y3714-K3749 HydrophobicContact CE2-CD 4.22Å; Y3714-K3749 HydrophobicContact CE2-CG 4.39Å; Y3714-K3749 HydrophobicContact CG-CB 3.96Å; Y3714-K3749 HydrophobicContact CG-CG 4.06Å; D3724-K3749 VanDerWaalsContact OD1-CE 3.22Å; D3724-K3749 WeakPolarHBondContact OD1-CE 3.29Å; D3724-K3749 IonicContact OD1-NZ 3.26Å; D3724-K3749 PolarHBondContact OD1-NZ 3.31Å; D3724-K3749 IonicContact OD2-NZ 3.2Å; P3742-K3749 PolarHBondContact O-NZ 3.21Å; W3746-K3749 VanDerWaalsContact O-CD 3.31Å; W3746-K3749 WeakPolarHBondContact O-CD 3.07Å; W3746-K3749 WeakPolarHBondContact O-CE 3.49Å; W3746-K3749 PolarHBondContact O-NZ 3.15Å; W3746-K3749 VanDerWaalsContact O-NZ 3.07Å; P3747-K3749 PolarHBondContact O-N 3.3Å; K3749-S3751 WeakPolarHBondContact O-CB 3.24Å; K3749-S3751 PolarHBondContact O-N 3.04Å; K3749-S3751 VanDerWaalsContact O-N 3.07Å; K3749-S3751 PolarHBondContact O-OG 3.27Å; K3749-R3754 PolarHBondContact O-NH2 2.99Å; K3749-I3807 CarbonylContact C-O 3.47Å; K3749-I3807 HydrophobicContact CD-CG2 3.68Å |
| 3750 | G | 79.6 | Confident | 90.6 | Very high | 0.5 Ų | 0.5 | 50.5 Ų | 50.5 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 71.5 | 96.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S3710 E3711 I3752 Y3806 I3807 | S3710-G3750 CarbonylContact C-O 3.47Å; S3710-G3750 VanDerWaalsContact CB-O 3.27Å; S3710-G3750 WeakPolarHBondContact CB-O 3.43Å; S3710-G3750 PolarHBondContact OG-O 2.93Å; E3711-G3750 WeakPolarHBondContact CA-O 3.36Å; E3711-G3750 PolarHBondContact N-O 2.55Å; G3750-I3752 PolarHBondContact O-N 3.07Å; G3750-Y3806 VanDerWaalsContact O-CD1 3.32Å; G3750-Y3806 WeakPolarHBondContact O-CD1 3.46Å; G3750-I3807 CarbonylContact C-O 3.5Å; G3750-I3807 VanDerWaalsContact CA-O 3.31Å; G3750-I3807 WeakPolarHBondContact CA-O 3.31Å; G3750-I3807 PolarHBondContact N-O 3.16Å |
| 3751 | S | 70.3 | Confident | 90.7 | Very high | 1.25 Ų | 1.25 | 49.8 Ų | 49.8 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -79 | 15.2 | -170.4 | 89.5 | 0 | 0 | 0 | 0 | 113.6 | E3711 K3749 I3753 R3754 F3797 I3807 D3808 | E3711-S3751 WeakPolarHBondContact CB-OG 3.1Å; K3749-S3751 WeakPolarHBondContact O-CB 3.24Å; K3749-S3751 PolarHBondContact O-N 3.04Å; K3749-S3751 VanDerWaalsContact O-N 3.07Å; K3749-S3751 PolarHBondContact O-OG 3.27Å; S3751-I3753 PolarHBondContact O-N 3.27Å; S3751-R3754 PolarHBondContact OG-NH2 3.23Å; S3751-F3797 VanDerWaalsContact CB-O 3.27Å; S3751-F3797 WeakPolarHBondContact CB-O 3.36Å; S3751-F3797 WeakPolarHBondContact OG-CD1 3.44Å; S3751-I3807 PolarHBondContact N-O 2.99Å; S3751-D3808 VanDerWaalsContact CB-CB 3.43Å; S3751-D3808 WeakPolarHBondContact CB-OD2 3.36Å; S3751-D3808 VanDerWaalsContact N-CB 3.27Å; S3751-D3808 PolarHBondContact N-OD2 3.03Å; S3751-D3808 WeakPolarHBondContact OG-CB 3.29Å; S3751-D3808 PolarHBondContact OG-OD2 3.06Å |
| 3752 | I | 85 | Confident | 90.9 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.015 | 28% | 0.278 | C | S | . | . | trans | -68.3 | 109.9 | 173.1 | -46.6 | -178.1 | 0 | 0 | 0 | 107.9 | I3707 P3708 G3750 R3754 Y3806 V3834 | I3707-I3752 HydrophobicContact CB-CD1 4.26Å; I3707-I3752 HydrophobicContact CB-CG2 3.9Å; I3707-I3752 HydrophobicContact CD1-CB 4.15Å; I3707-I3752 HydrophobicContact CD1-CG2 3.48Å; I3707-I3752 HydrophobicContact CG1-CG2 4.12Å; I3707-I3752 HydrophobicContact CG2-CG2 3.95Å; P3708-I3752 HydrophobicContact CG-CD1 3.91Å; P3708-I3752 WeakPolarHBondContact O-CD1 3.42Å; G3750-I3752 PolarHBondContact O-N 3.07Å; I3752-R3754 WeakPolarHBondContact O-CG 3.43Å; I3752-R3754 PolarHBondContact O-N 3.01Å; I3752-R3754 PolarHBondContact O-NE 2.87Å; I3752-Y3806 WeakPolarHBondContact O-CD1 2.96Å; I3752-V3834 HydrophobicContact CD1-CB 4.35Å; I3752-V3834 HydrophobicContact CD1-CG1 4.46Å; I3752-V3834 HydrophobicContact CD1-CG2 3.99Å; I3752-V3834 HydrophobicContact CG1-CB 4.02Å; I3752-V3834 HydrophobicContact CG1-CG1 4.39Å; I3752-V3834 HydrophobicContact CG1-CG2 4.14Å; I3752-V3834 HydrophobicContact CG2-CB 4.19Å; I3752-V3834 HydrophobicContact CG2-CG1 3.73Å | ||
| 3753 | I | 90.3 | Very high | 90.9 | Very high | 5.5 Ų | 5.5 | 53.2 Ų | 53.2 | 3% | 0.028 | 29% | 0.29 | C | S | . | . | trans | -54.9 | 130.4 | 178.2 | -117.3 | -178.3 | 0 | 0 | 0 | 109 | S3751 L3773 H3775 T3799 L3802 Y3806 A3836 K3839 F3841 | S3751-I3753 PolarHBondContact O-N 3.27Å; I3753-L3773 HydrophobicContact CB-CD1 4.45Å; I3753-L3773 HydrophobicContact CD1-CD2 4.3Å; I3753-L3773 HydrophobicContact CG1-CD1 4.4Å; I3753-L3773 HydrophobicContact CG1-CD2 4.5Å; I3753-L3773 HydrophobicContact CG2-CD1 4.2Å; I3753-L3773 HydrophobicContact CG2-CD2 3.95Å; I3753-L3773 VanDerWaalsContact O-CD1 3.28Å; I3753-L3773 WeakPolarHBondContact O-CD1 3.31Å; I3753-H3775 PolarHBondContact O-NE2 2.93Å; I3753-T3799 HydrophobicContact CB-CG2 4.05Å; I3753-T3799 HydrophobicContact CD1-CG2 3.79Å; I3753-T3799 VanDerWaalsContact CD1-CG2 3.46Å; I3753-T3799 HydrophobicContact CG1-CG2 3.87Å; I3753-L3802 HydrophobicContact CD1-CD1 4.08Å; I3753-L3802 HydrophobicContact CG1-CD1 4.3Å; I3753-L3802 HydrophobicContact CG2-CD1 4.25Å; I3753-Y3806 HydrophobicContact CB-CD2 4.37Å; I3753-Y3806 HydrophobicContact CB-CG 4.48Å; I3753-Y3806 HydrophobicContact CG1-CD2 4.06Å; I3753-Y3806 HydrophobicContact CG1-CE2 4.2Å; I3753-Y3806 HydrophobicContact CG2-CE2 4.39Å; I3753-A3836 HydrophobicContact CB-CB 4.38Å; I3753-A3836 HydrophobicContact CD1-CB 4.08Å; I3753-A3836 HydrophobicContact CG2-CB 3.68Å; I3753-K3839 HydrophobicContact CD1-CB 4.05Å; I3753-K3839 HydrophobicContact CD1-CD 4.41Å; I3753-K3839 HydrophobicContact CD1-CG 3.76Å; I3753-F3841 HydrophobicContact CD1-CE1 3.7Å; I3753-F3841 HydrophobicContact CD1-CZ 3.5Å; I3753-F3841 VanDerWaalsContact CD1-CZ 3.49Å; I3753-F3841 HydrophobicContact CG1-CE1 4.21Å; I3753-F3841 HydrophobicContact CG1-CZ 4.35Å; I3753-F3841 HydrophobicContact CG2-CZ 4.43Å | ||
| 3754 | R | 92.7 | Very high | 91.1 | Very high | 36.25 Ų | 36.25 | 49.3 Ų | 49.3 | 14% | 0.137 | 27% | 0.266 | C | S | . | . | trans | -127.4 | 148 | 178.4 | -71.1 | 168.1 | -71.9 | -168.1 | -3.3 | 109.9 | I3707 E3711 K3749 S3751 I3752 C3758 Y3767 Y3806 | I3707-R3754 HydrophobicContact CD1-CG 3.69Å; E3711-R3754 VanDerWaalsContact CD-NH1 3.29Å; E3711-R3754 IonicContact OE1-CZ 3.17Å; E3711-R3754 VanDerWaalsContact OE1-CZ 3.28Å; E3711-R3754 IonicContact OE1-NH1 3.11Å; E3711-R3754 PolarHBondContact OE1-NH1 3.17Å; E3711-R3754 IonicContact OE1-NH2 3.71Å; E3711-R3754 PolarHBondContact OE1-NH2 3.36Å; E3711-R3754 IonicContact OE2-CZ 3.59Å; E3711-R3754 IonicContact OE2-NH1 3.33Å; E3711-R3754 PolarHBondContact OE2-NH1 2.97Å; E3711-R3754 IonicContact OE2-NH2 3.06Å; K3749-R3754 PolarHBondContact O-NH2 2.99Å; S3751-R3754 PolarHBondContact OG-NH2 3.23Å; I3752-R3754 WeakPolarHBondContact O-CG 3.43Å; I3752-R3754 PolarHBondContact O-N 3.01Å; I3752-R3754 PolarHBondContact O-NE 2.87Å; R3754-C3758 HydrophobicContact CB-CB 3.86Å; R3754-C3758 HydrophobicContact CG-CB 3.92Å; R3754-Y3767 PolarHBondContact NH1-OH 3.3Å; R3754-Y3767 VanDerWaalsContact NH1-OH 3.17Å; R3754-Y3806 HydrophobicContact CB-CE1 4.27Å; R3754-Y3806 WeakPolarHBondContact CB-OH 3.46Å; R3754-Y3806 PolarHBondContact N-OH 2.79Å; R3754-Y3806 PolarHBondContact O-OH 3.08Å | ||
| 3755 | D | 91 | Very high | 91.2 | Very high | 53 Ų | 53 | 44.8 Ų | 44.8 | 28% | 0.283 | 24% | 0.242 | S | C | . | . | trans | -115.5 | -174.5 | 170.2 | 66.7 | 16.9 | 0 | 0 | 0 | 110 | S3757 C3758 L3773 | D3755-S3757 PolarHBondContact O-N 3.01Å; D3755-S3757 VanDerWaalsContact O-N 3.13Å; D3755-S3757 WeakPolarHBondContact OD1-CA 3.35Å; D3755-S3757 VanDerWaalsContact OD1-CB 3.24Å; D3755-S3757 WeakPolarHBondContact OD1-CB 3.4Å; D3755-S3757 PolarHBondContact OD1-N 2.84Å; D3755-S3757 PolarHBondContact OD1-OG 3.17Å; D3755-C3758 WeakPolarHBondContact O-CB 3.39Å; D3755-C3758 PolarHBondContact O-N 3Å; D3755-C3758 VanDerWaalsContact O-N 3.14Å; D3755-L3773 HydrophobicContact CB-CD1 4.11Å; D3755-L3773 HydrophobicContact CB-CG 4.39Å | ||
| 3756 | S | 92.4 | Very high | 91.4 | Very high | 130.5 Ų | 130.5 | 40.9 Ų | 40.9 | 91% | 0.913 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -12 | -179.7 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | C3758 | S3756-C3758 VanDerWaalsContact C-N 3.34Š|
| 3757 | S | 94 | Very high | 91.5 | Very high | 36.25 Ų | 36.25 | 41.8 Ų | 41.8 | 25% | 0.253 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -13.9 | 175.9 | 78.8 | 0 | 0 | 0 | 0 | 113.2 | D3755 I3759 K3768 S3770 | D3755-S3757 PolarHBondContact O-N 3.01Å; D3755-S3757 VanDerWaalsContact O-N 3.13Å; D3755-S3757 WeakPolarHBondContact OD1-CA 3.35Å; D3755-S3757 VanDerWaalsContact OD1-CB 3.24Å; D3755-S3757 WeakPolarHBondContact OD1-CB 3.4Å; D3755-S3757 PolarHBondContact OD1-N 2.84Å; D3755-S3757 PolarHBondContact OD1-OG 3.17Å; S3757-I3759 PolarHBondContact O-N 2.89Å; S3757-K3768 VanDerWaalsContact O-O 3.11Å; S3757-S3770 WeakPolarHBondContact CB-OG 3.15Å; S3757-S3770 WeakPolarHBondContact OG-CB 3.45Å; S3757-S3770 PolarHBondContact OG-N 3.18Å; S3757-S3770 PolarHBondContact OG-OG 3.08Å |
| 3758 | C | 94.8 | Very high | 91.7 | Very high | 20.25 Ų | 20.25 | 40.2 Ų | 40.2 | 14% | 0.137 | 21% | 0.214 | C | C | . | . | trans | -80.8 | 104.5 | -178.4 | -67.1 | 0 | 0 | 0 | 0 | 112 | R3754 D3755 S3756 K3768 C3769 | R3754-C3758 HydrophobicContact CB-CB 3.86Å; R3754-C3758 HydrophobicContact CG-CB 3.92Å; D3755-C3758 WeakPolarHBondContact O-CB 3.39Å; D3755-C3758 PolarHBondContact O-N 3Å; D3755-C3758 VanDerWaalsContact O-N 3.14Å; S3756-C3758 VanDerWaalsContact C-N 3.34Å; C3758-K3768 WeakPolarHBondContact CA-O 3.45Å; C3758-C3769 VanDerWaalsContact CA-SG 3.57Å; C3758-C3769 HydrophobicContact CB-CB 4.13Å; C3758-C3769 WeakPolarHBondContact CB-SG 3.35Å; C3758-C3769 WeakPolarHBondContact SG-CB 3.34Å; C3758-C3769 CovalentContact SG-SG 2.04Å; C3758-C3769 PolarHBondContact SG-SG 3.21Å | ||
| 3759 | I | 95.3 | Very high | 91.8 | Very high | 104.25 Ų | 104.25 | 38 Ų | 38 | 54% | 0.535 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.7 | 179.2 | -58.1 | 173.4 | 0 | 0 | 0 | 109.2 | S3757 M3761 Y3767 K3768 | S3757-I3759 PolarHBondContact O-N 2.89Å; I3759-M3761 PolarHBondContact O-N 2.83Å; I3759-Y3767 CarbonylContact O-C 3.45Å; I3759-Y3767 WeakPolarHBondContact O-CA 3.29Å; I3759-K3768 PolarHBondContact N-O 3.2Å; I3759-K3768 PolarHBondContact O-N 2.81Å |
| 3760 | Y | 95.4 | Very high | 92.1 | Very high | 81.75 Ų | 81.75 | 37.9 Ų | 37.9 | 32% | 0.321 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 129.8 | 174.1 | -175.5 | -114.7 | 0 | 0 | 0 | 110.6 | R3668 Q3709 P3762 A3766 Y3767 | R3668-Y3760 PolarHBondContact NH2-OH 3.04Å; Q3709-Y3760 HydrophobicContact CB-CE2 4.11Å; Q3709-Y3760 HydrophobicContact CG-CE2 4.25Å; Q3709-Y3760 PolarHBondContact OE1-OH 2.98Å; Y3760-P3762 HydrophobicContact CD1-CG 3.94Å; Y3760-P3762 HydrophobicContact CE1-CB 4.03Å; Y3760-P3762 HydrophobicContact CE1-CG 3.85Å; Y3760-P3762 WeakPolarHBondContact O-CD 3.29Å; Y3760-A3766 WeakPolarHBondContact CD2-O 3.15Å; Y3760-Y3767 VanDerWaalsContact CB-CE1 3.46Å; Y3760-Y3767 HydrophobicContact CD2-CD1 4.24Å; Y3760-Y3767 HydrophobicContact CD2-CD2 4.32Å; Y3760-Y3767 AromaticContact CD2-CE1 3.89Å; Y3760-Y3767 HydrophobicContact CD2-CE1 3.89Å; Y3760-Y3767 AromaticContact CD2-CE2 3.82Å; Y3760-Y3767 HydrophobicContact CD2-CE2 3.95Å; Y3760-Y3767 HydrophobicContact CD2-CG 4.42Å; Y3760-Y3767 AromaticContact CD2-CZ 3.69Å; Y3760-Y3767 HydrophobicContact CE2-CE2 4.43Å; Y3760-Y3767 HydrophobicContact CG-CE1 4.13Å |
| 3761 | M | 95.5 | Very high | 92.6 | Very high | 21.25 Ų | 21.25 | 41.2 Ų | 41.2 | 11% | 0.105 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 96.8 | -179.3 | -62.3 | -73.3 | -65.8 | 0 | 0 | 108.5 | M3660 D3661 I3759 K3763 M3764 Q3765 A3766 K3768 | M3660-M3761 HydrophobicContact CG-CE 4.21Å; M3660-M3761 HydrophobicContact SD-CE 4.22Å; D3661-M3761 VanDerWaalsContact OD1-CE 3.29Å; D3661-M3761 WeakPolarHBondContact OD1-CE 3.27Å; I3759-M3761 PolarHBondContact O-N 2.83Å; M3761-K3763 VanDerWaalsContact C-N 3.35Å; M3761-K3763 PolarHBondContact O-N 3.05Å; M3761-M3764 HydrophobicContact CB-CB 3.88Å; M3761-M3764 HydrophobicContact CB-CG 3.78Å; M3761-M3764 HydrophobicContact CB-SD 3.45Å; M3761-M3764 WeakPolarHBondContact CB-SD 3.23Å; M3761-M3764 HydrophobicContact CE-CG 4.46Å; M3761-M3764 HydrophobicContact CE-SD 3.59Å; M3761-M3764 VanDerWaalsContact CE-SD 3.54Å; M3761-M3764 HydrophobicContact CG-SD 3.61Å; M3761-M3764 VanDerWaalsContact CG-SD 3.57Å; M3761-M3764 PolarHBondContact O-N 2.92Å; M3761-M3764 HydrophobicContact SD-SD 4.44Å; M3761-Q3765 PolarHBondContact O-N 2.98Å; M3761-A3766 PolarHBondContact N-O 3.1Å; M3761-K3768 HydrophobicContact CG-CB 3.93Å |
| 3762 | P | 94.8 | Very high | 93.7 | Very high | 87.25 Ų | 87.25 | 45 Ų | 45 | 57% | 0.567 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -58 | -40.9 | -170.1 | -27 | 34.3 | 0 | 0 | 0 | 114.5 | Y3760 M3764 Q3765 | Y3760-P3762 HydrophobicContact CD1-CG 3.94Å; Y3760-P3762 HydrophobicContact CE1-CB 4.03Å; Y3760-P3762 HydrophobicContact CE1-CG 3.85Å; Y3760-P3762 WeakPolarHBondContact O-CD 3.29Å; P3762-M3764 VanDerWaalsContact C-N 3.27Å; P3762-M3764 PolarHBondContact O-N 3Å; P3762-Q3765 PolarHBondContact O-N 3.14Å |
| 3763 | K | 93 | Very high | 94.1 | Very high | 85.25 Ų | 85.25 | 45.5 Ų | 45.5 | 37% | 0.371 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -72.5 | -20.4 | 179.9 | -64.7 | -174.6 | -163.7 | 148.8 | 0 | 113.6 | R3631 Y3633 D3661 Y3665 M3761 | R3631-K3763 VanDerWaalsContact NH2-NZ 3.16Å; Y3633-K3763 PolarHBondContact OH-O 2.97Å; Y3633-K3763 VanDerWaalsContact OH-O 3.07Å; D3661-K3763 HydrophobicContact CB-CB 4.14Å; D3661-K3763 HydrophobicContact CB-CD 3.75Å; D3661-K3763 HydrophobicContact CB-CG 4.4Å; D3661-K3763 VanDerWaalsContact OD2-CD 3.3Å; D3661-K3763 WeakPolarHBondContact OD2-CD 3.34Å; D3661-K3763 VanDerWaalsContact OD2-CE 3.32Å; D3661-K3763 WeakPolarHBondContact OD2-CE 3.3Å; D3661-K3763 IonicContact OD2-NZ 3.56Å; D3661-K3763 PolarHBondContact OD2-NZ 2.92Å; Y3665-K3763 VanDerWaalsContact CD2-O 3.31Å; Y3665-K3763 WeakPolarHBondContact CD2-O 3.4Å; M3761-K3763 VanDerWaalsContact C-N 3.35Å; M3761-K3763 PolarHBondContact O-N 3.05Å |
| 3764 | M | 94.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -89.6 | -16.4 | 173.7 | -54.6 | 174.2 | 74.4 | 0 | 0 | 111.9 | V3664 Y3666 F3700 I3706 M3761 P3762 A3766 | V3664-M3764 HydrophobicContact CB-CE 3.62Å; V3664-M3764 HydrophobicContact CG1-CE 4.31Å; V3664-M3764 HydrophobicContact CG2-CE 4.29Å; V3664-M3764 WeakPolarHBondContact O-CA 3.35Å; V3664-M3764 VanDerWaalsContact O-CB 3.3Å; V3664-M3764 WeakPolarHBondContact O-CB 3.41Å; V3664-M3764 VanDerWaalsContact O-CG 3.3Å; V3664-M3764 WeakPolarHBondContact O-CG 3.33Å; Y3666-M3764 PolarHBondContact N-O 3.12Å; Y3666-M3764 VanDerWaalsContact N-O 3.16Å; F3700-M3764 HydrophobicContact CE1-CE 3.99Å; F3700-M3764 HydrophobicContact CZ-CE 4.05Å; I3706-M3764 HydrophobicContact CD1-CE 3.88Å; I3706-M3764 HydrophobicContact CG1-CE 4Å; I3706-M3764 HydrophobicContact CG2-CE 3.89Å; M3761-M3764 HydrophobicContact CB-CB 3.88Å; M3761-M3764 HydrophobicContact CB-CG 3.78Å; M3761-M3764 HydrophobicContact CB-SD 3.45Å; M3761-M3764 WeakPolarHBondContact CB-SD 3.23Å; M3761-M3764 HydrophobicContact CE-CG 4.46Å; M3761-M3764 HydrophobicContact CE-SD 3.59Å; M3761-M3764 VanDerWaalsContact CE-SD 3.54Å; M3761-M3764 HydrophobicContact CG-SD 3.61Å; M3761-M3764 VanDerWaalsContact CG-SD 3.57Å; M3761-M3764 PolarHBondContact O-N 2.92Å; M3761-M3764 HydrophobicContact SD-SD 4.44Å; P3762-M3764 VanDerWaalsContact C-N 3.27Å; P3762-M3764 PolarHBondContact O-N 3Å; M3764-A3766 HydrophobicContact CB-CB 4.12Å; M3764-A3766 PolarHBondContact O-N 3.11Å |
| 3765 | Q | 95.3 | Very high | 94.4 | Very high | 38.5 Ų | 38.5 | 44.9 Ų | 44.9 | 18% | 0.18 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 32 | -171.7 | -56.3 | -159.4 | 126.3 | 0 | 0 | 113.5 | Y3665 Y3666 R3668 Q3709 M3761 P3762 | Y3665-Q3765 HydrophobicContact CE2-CG 4.2Å; Y3665-Q3765 PolarHBondContact OH-NE2 3.3Å; Y3666-Q3765 PolarHBondContact O-NE2 2.83Å; R3668-Q3765 VanDerWaalsContact NE-CD 3.3Å; R3668-Q3765 VanDerWaalsContact NE-NE2 3.14Å; Q3709-Q3765 PolarHBondContact N-O 2.94Å; M3761-Q3765 PolarHBondContact O-N 2.98Å; P3762-Q3765 PolarHBondContact O-N 3.14Å |
| 3766 | A | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 166.9 | -167 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y3666 I3706 I3707 Y3760 M3761 M3764 | Y3666-A3766 HydrophobicContact CD2-CB 3.71Å; Y3666-A3766 HydrophobicContact CE2-CB 3.89Å; Y3666-A3766 HydrophobicContact CG-CB 4.43Å; I3706-A3766 HydrophobicContact CG2-CB 3.58Å; I3707-A3766 CarbonylContact O-C 3.5Å; I3707-A3766 VanDerWaalsContact O-CA 3.26Å; I3707-A3766 WeakPolarHBondContact O-CA 3.34Å; I3707-A3766 VanDerWaalsContact O-CB 3.25Å; I3707-A3766 WeakPolarHBondContact O-CB 3.2Å; Y3760-A3766 WeakPolarHBondContact CD2-O 3.15Å; M3761-A3766 PolarHBondContact N-O 3.1Å; M3764-A3766 HydrophobicContact CB-CB 4.12Å; M3764-A3766 PolarHBondContact O-N 3.11Å |
| 3767 | Y | 95.8 | Very high | 94.7 | Very high | 32.5 Ų | 32.5 | 36.6 Ų | 36.6 | 13% | 0.127 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 133.1 | 168.9 | -62.7 | -94.2 | 0 | 0 | 0 | 110 | I3706 I3707 Q3709 E3711 R3754 I3759 Y3760 | I3706-Y3767 WeakPolarHBondContact CA-O 3.31Å; I3707-Y3767 HydrophobicContact CG1-CD2 4.44Å; I3707-Y3767 HydrophobicContact CG1-CG 4.48Å; I3707-Y3767 PolarHBondContact N-O 2.83Å; I3707-Y3767 PolarHBondContact O-N 2.82Å; Q3709-Y3767 HydrophobicContact CB-CD2 4.45Å; Q3709-Y3767 HydrophobicContact CB-CE2 4Å; Q3709-Y3767 HydrophobicContact CG-CE2 3.96Å; E3711-Y3767 VanDerWaalsContact OE1-CE2 3.26Å; E3711-Y3767 WeakPolarHBondContact OE1-CE2 3.47Å; E3711-Y3767 VanDerWaalsContact OE1-CZ 3.27Å; E3711-Y3767 PolarHBondContact OE1-OH 3.05Å; R3754-Y3767 PolarHBondContact NH1-OH 3.3Å; R3754-Y3767 VanDerWaalsContact NH1-OH 3.17Å; I3759-Y3767 CarbonylContact O-C 3.45Å; I3759-Y3767 WeakPolarHBondContact O-CA 3.29Å; Y3760-Y3767 VanDerWaalsContact CB-CE1 3.46Å; Y3760-Y3767 HydrophobicContact CD2-CD1 4.24Å; Y3760-Y3767 HydrophobicContact CD2-CD2 4.32Å; Y3760-Y3767 AromaticContact CD2-CE1 3.89Å; Y3760-Y3767 HydrophobicContact CD2-CE1 3.89Å; Y3760-Y3767 AromaticContact CD2-CE2 3.82Å; Y3760-Y3767 HydrophobicContact CD2-CE2 3.95Å; Y3760-Y3767 HydrophobicContact CD2-CG 4.42Å; Y3760-Y3767 AromaticContact CD2-CZ 3.69Å; Y3760-Y3767 HydrophobicContact CE2-CE2 4.43Å; Y3760-Y3767 HydrophobicContact CG-CE1 4.13Å |
| 3768 | K | 95.7 | Very high | 94.8 | Very high | 27 Ų | 27 | 34.9 Ų | 34.9 | 12% | 0.117 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 113.9 | 166.3 | -177.7 | 177.7 | 79.5 | 157.7 | 0 | 108.7 | M3660 F3700 I3706 S3757 C3758 I3759 M3761 | M3660-K3768 HydrophobicContact SD-CD 4.37Å; M3660-K3768 PolarHBondContact SD-NZ 3.01Å; F3700-K3768 HydrophobicContact CB-CD 4.46Å; F3700-K3768 HydrophobicContact CD1-CD 3.9Å; F3700-K3768 HydrophobicContact CE1-CD 4.43Å; F3700-K3768 HydrophobicContact CG-CD 4.32Å; I3706-K3768 HydrophobicContact CD1-CB 3.68Å; I3706-K3768 HydrophobicContact CD1-CD 4.24Å; I3706-K3768 HydrophobicContact CD1-CG 3.57Å; S3757-K3768 VanDerWaalsContact O-O 3.11Å; C3758-K3768 WeakPolarHBondContact CA-O 3.45Å; I3759-K3768 PolarHBondContact N-O 3.2Å; I3759-K3768 PolarHBondContact O-N 2.81Å; M3761-K3768 HydrophobicContact CG-CB 3.93Å |
| 3769 | C | 96.3 | Very high | 94.8 | Very high | 2.25 Ų | 2.25 | 34 Ų | 34 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 156.9 | 178.1 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | S3704 V3705 I3707 C3758 | S3704-C3769 CarbonylContact C-O 3.45Å; S3704-C3769 VanDerWaalsContact CA-O 3.27Å; S3704-C3769 WeakPolarHBondContact CA-O 3.37Å; S3704-C3769 WeakPolarHBondContact CB-O 3.29Å; V3705-C3769 HydrophobicContact CG1-CB 3.78Å; V3705-C3769 PolarHBondContact N-O 2.84Å; V3705-C3769 PolarHBondContact O-N 3.15Å; I3707-C3769 VanDerWaalsContact CD1-SG 3.56Å; C3758-C3769 VanDerWaalsContact CA-SG 3.57Å; C3758-C3769 HydrophobicContact CB-CB 4.13Å; C3758-C3769 WeakPolarHBondContact CB-SG 3.35Å; C3758-C3769 WeakPolarHBondContact SG-CB 3.34Å; C3758-C3769 CovalentContact SG-SG 2.04Å; C3758-C3769 PolarHBondContact SG-SG 3.21Å |
| 3770 | S | 95.6 | Very high | 94.9 | Very high | 29.5 Ų | 29.5 | 29 Ų | 29 | 21% | 0.206 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 163.6 | 163.1 | 75.5 | 0 | 0 | 0 | 0 | 110.8 | S3757 A3772 | S3757-S3770 WeakPolarHBondContact CB-OG 3.15Å; S3757-S3770 WeakPolarHBondContact OG-CB 3.45Å; S3757-S3770 PolarHBondContact OG-N 3.18Å; S3757-S3770 PolarHBondContact OG-OG 3.08Å; S3770-A3772 PolarHBondContact O-N 3.08Å; S3770-A3772 VanDerWaalsContact O-N 3.15Å; S3770-A3772 WeakPolarHBondContact OG-CB 3.31Å; S3770-A3772 PolarHBondContact OG-N 3.03Å |
| 3771 | K | 91.2 | Very high | 94.9 | Very high | 70.25 Ų | 70.25 | 25.2 Ų | 25.2 | 31% | 0.305 | 14% | 0.14 | S | C | . | . | G | 310 helix | trans | -72 | 2.6 | 175.2 | -159.7 | -178.8 | 174.1 | -171.2 | 0 | 114.1 | K3695 P3703 L3773 D3774 | K3695-K3771 PolarHBondContact O-NZ 3Å; P3703-K3771 HydrophobicContact CB-CB 4.04Å; P3703-K3771 HydrophobicContact CB-CD 4.04Å; P3703-K3771 PolarHBondContact O-N 3.1Å; K3771-L3773 VanDerWaalsContact C-N 3.32Å; K3771-L3773 PolarHBondContact O-N 3.15Å; K3771-D3774 WeakPolarHBondContact CE-OD1 3.33Å; K3771-D3774 PolarHBondContact O-N 2.98Å |
| 3772 | A | 92.6 | Very high | 94.9 | Very high | 80 Ų | 80 | 24.2 Ų | 24.2 | 66% | 0.661 | 14% | 0.136 | S | C | * | . | G | 310 helix | trans | -60.1 | -36.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114 | S3770 D3774 | S3770-A3772 PolarHBondContact O-N 3.08Å; S3770-A3772 VanDerWaalsContact O-N 3.15Å; S3770-A3772 WeakPolarHBondContact OG-CB 3.31Å; S3770-A3772 PolarHBondContact OG-N 3.03Å; A3772-D3774 VanDerWaalsContact C-N 3.34Å |
| 3773 | L | 93.3 | Very high | 94.9 | Very high | 13.75 Ų | 13.75 | 21.7 Ų | 21.7 | 7% | 0.072 | 12% | 0.116 | C | C | . | . | G | 310 helix | trans | -77.4 | -20.8 | 175.9 | -73.4 | 173.5 | 0 | 0 | 0 | 113.4 | I3753 D3755 K3771 A3836 R3837 | I3753-L3773 HydrophobicContact CB-CD1 4.45Å; I3753-L3773 HydrophobicContact CD1-CD2 4.3Å; I3753-L3773 HydrophobicContact CG1-CD1 4.4Å; I3753-L3773 HydrophobicContact CG1-CD2 4.5Å; I3753-L3773 HydrophobicContact CG2-CD1 4.2Å; I3753-L3773 HydrophobicContact CG2-CD2 3.95Å; I3753-L3773 VanDerWaalsContact O-CD1 3.28Å; I3753-L3773 WeakPolarHBondContact O-CD1 3.31Å; D3755-L3773 HydrophobicContact CB-CD1 4.11Å; D3755-L3773 HydrophobicContact CB-CG 4.39Å; K3771-L3773 VanDerWaalsContact C-N 3.32Å; K3771-L3773 PolarHBondContact O-N 3.15Å; L3773-A3836 HydrophobicContact CB-CB 4.22Å; L3773-A3836 HydrophobicContact CD2-CB 4.29Å; L3773-A3836 WeakPolarHBondContact O-CB 3.33Å; L3773-R3837 PolarHBondContact O-N 2.99Å; L3773-R3837 VanDerWaalsContact O-N 3.09Å |
| 3774 | D | 93.9 | Very high | 94.8 | Very high | 24 Ų | 24 | 17.9 Ų | 17.9 | 13% | 0.128 | 10% | 0.1 | C | C | . | . | trans | 45.5 | 70.9 | -177.1 | -165.1 | 38.7 | 0 | 0 | 0 | 111.5 | K3771 A3772 R3837 Y3864 | K3771-D3774 WeakPolarHBondContact CE-OD1 3.33Å; K3771-D3774 PolarHBondContact O-N 2.98Å; A3772-D3774 VanDerWaalsContact C-N 3.34Å; D3774-R3837 HydrophobicContact CB-CB 4.04Å; D3774-R3837 PolarHBondContact O-N 3.08Å; D3774-R3837 IonicContact OD2-CZ 3.72Å; D3774-R3837 IonicContact OD2-NE 3.35Å; D3774-R3837 PolarHBondContact OD2-NE 3.15Å; D3774-R3837 IonicContact OD2-NH2 3.21Å; D3774-R3837 PolarHBondContact OD2-NH2 3.09Å; D3774-Y3864 HydrophobicContact CB-CE2 4.39Å; D3774-Y3864 WeakPolarHBondContact O-CE2 3.31Å; D3774-Y3864 PolarHBondContact O-OH 2.85Å; D3774-Y3864 VanDerWaalsContact O-OH 3.1Å; D3774-Y3864 WeakPolarHBondContact OD2-CD2 3.26Å; D3774-Y3864 WeakPolarHBondContact OD2-CE2 3.39Å | ||
| 3775 | H | 95.6 | Very high | 94.5 | Very high | 5.25 Ų | 5.25 | 22.7 Ų | 22.7 | 2% | 0.024 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 146.2 | -176.9 | -60.1 | 87.5 | 0 | 0 | 0 | 112.7 | L3691 V3705 I3753 V3834 V3835 | L3691-H3775 HydrophobicContact CD1-CB 4.42Å; L3691-H3775 HydrophobicContact CD2-CB 4.4Å; V3705-H3775 HydrophobicContact CG1-CB 4.26Å; V3705-H3775 VanDerWaalsContact CG1-ND1 3.33Å; V3705-H3775 WeakPolarHBondContact CG1-ND1 3.34Å; V3705-H3775 HydrophobicContact CG2-CB 4.43Å; I3753-H3775 PolarHBondContact O-NE2 2.93Å; H3775-V3834 HydrophobicContact CB-CG1 4.14Å; H3775-V3835 CarbonylContact C-O 3.43Å; H3775-V3835 VanDerWaalsContact CA-O 3.24Å; H3775-V3835 WeakPolarHBondContact CA-O 3.43Å |
| 3776 | N | 94.6 | Very high | 94.2 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 4% | 0.043 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 167.9 | 174.7 | -153 | -14.9 | 0 | 0 | 0 | 111.7 | V3834 V3835 P3858 Y3864 | N3776-V3834 WeakPolarHBondContact O-CA 3.24Å; N3776-V3835 HydrophobicContact CB-CG2 4.41Å; N3776-V3835 PolarHBondContact N-O 2.92Å; N3776-V3835 WeakPolarHBondContact O-CG2 3.19Å; N3776-V3835 PolarHBondContact O-N 2.92Å; N3776-P3858 PolarHBondContact ND2-O 3.43Å; N3776-P3858 PolarHBondContact OD1-O 3.04Å; N3776-Y3864 HydrophobicContact CB-CE1 4.15Å; N3776-Y3864 HydrophobicContact CB-CE2 3.98Å; N3776-Y3864 WeakPolarHBondContact CB-OH 3.4Å; N3776-Y3864 PolarHBondContact N-OH 3.25Å |
| 3777 | I | 95 | Very high | 93.9 | Very high | 1.25 Ų | 1.25 | 21.8 Ų | 21.8 | 1% | 0.006 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129 | 175.8 | -61.7 | -62.2 | 0 | 0 | 0 | 110.2 | P3647 K3689 L3691 L3779 M3832 S3833 V3834 L3857 P3858 | P3647-I3777 HydrophobicContact CG-CG1 3.88Å; K3689-I3777 VanDerWaalsContact O-CD1 3.29Å; K3689-I3777 WeakPolarHBondContact O-CD1 3.4Å; L3691-I3777 HydrophobicContact CD1-CD1 3.85Å; L3691-I3777 HydrophobicContact CD1-CG1 3.88Å; L3691-I3777 HydrophobicContact CG-CD1 4.07Å; L3691-I3777 HydrophobicContact CG-CG1 4.41Å; I3777-L3779 HydrophobicContact CG2-CD2 4.13Å; I3777-M3832 HydrophobicContact CG2-CB 4.11Å; I3777-M3832 HydrophobicContact CG2-CG 4.19Å; I3777-M3832 HydrophobicContact CG2-SD 4.4Å; I3777-S3833 CarbonylContact C-O 3.56Å; I3777-S3833 WeakPolarHBondContact CA-O 3.44Å; I3777-V3834 HydrophobicContact CD1-CG2 3.78Å; I3777-L3857 WeakPolarHBondContact O-CD2 3.33Å; I3777-P3858 VanDerWaalsContact O-CD 3.24Å; I3777-P3858 WeakPolarHBondContact O-CD 3.34Å |
| 3778 | L | 96.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 121.5 | 164.4 | 174.9 | 68 | 0 | 0 | 0 | 109 | I3780 F3797 S3833 V3835 L3855 L3857 I3866 L3868 I3936 | L3778-I3780 HydrophobicContact CD2-CD1 4.13Å; L3778-I3780 HydrophobicContact CD2-CG1 3.93Å; L3778-I3780 HydrophobicContact CG-CD1 4.5Å; L3778-I3780 HydrophobicContact CG-CG1 3.97Å; L3778-F3797 HydrophobicContact CD2-CE2 3.79Å; L3778-F3797 HydrophobicContact CD2-CZ 3.81Å; L3778-S3833 PolarHBondContact N-O 3.12Å; L3778-S3833 PolarHBondContact O-N 3.09Å; L3778-V3835 HydrophobicContact CB-CG1 3.89Å; L3778-V3835 HydrophobicContact CB-CG2 4.26Å; L3778-V3835 HydrophobicContact CD2-CG1 4.34Å; L3778-L3855 HydrophobicContact CD1-CB 4.44Å; L3778-L3857 HydrophobicContact CB-CD2 3.98Å; L3778-L3857 HydrophobicContact CD1-CD2 4.04Å; L3778-L3857 HydrophobicContact CD1-CG 4.44Å; L3778-I3866 HydrophobicContact CD1-CD1 4.5Å; L3778-I3866 HydrophobicContact CD2-CD1 4.2Å; L3778-L3868 HydrophobicContact CD2-CD2 4.08Å; L3778-I3936 HydrophobicContact CD1-CD1 3.68Å; L3778-I3936 HydrophobicContact CD2-CD1 4.42Å |
| 3779 | L | 96.2 | Very high | 93 | Very high | 1.25 Ų | 1.25 | 26.6 Ų | 26.6 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 126.4 | 167.8 | -63.9 | -179.5 | 0 | 0 | 0 | 109.6 | F3646 I3777 M3832 L3855 R3856 P3858 | F3646-L3779 HydrophobicContact CE1-CD1 4.24Å; F3646-L3779 HydrophobicContact CE1-CD2 4.25Å; I3777-L3779 HydrophobicContact CG2-CD2 4.13Å; L3779-M3832 HydrophobicContact CD2-CE 4.02Å; L3779-M3832 HydrophobicContact CD2-CG 3.79Å; L3779-M3832 HydrophobicContact CD2-SD 4.48Å; L3779-L3855 WeakPolarHBondContact O-CA 3.39Å; L3779-R3856 HydrophobicContact CB-CB 4.47Å; L3779-R3856 VanDerWaalsContact CD1-NH2 3.35Å; L3779-R3856 PolarHBondContact N-O 3.05Å; L3779-R3856 PolarHBondContact O-N 3.08Å; L3779-R3856 VanDerWaalsContact O-N 3.17Å; L3779-P3858 HydrophobicContact CD1-CG 3.59Å; L3779-P3858 HydrophobicContact CG-CG 3.86Å |
| 3780 | I | 96.7 | Very high | 92.5 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 110.3 | 177.3 | -57.2 | 154.4 | 0 | 0 | 0 | 107.3 | L3778 F3797 T3830 F3831 M3843 M3845 L3853 L3855 | L3778-I3780 HydrophobicContact CD2-CD1 4.13Å; L3778-I3780 HydrophobicContact CD2-CG1 3.93Å; L3778-I3780 HydrophobicContact CG-CD1 4.5Å; L3778-I3780 HydrophobicContact CG-CG1 3.97Å; I3780-F3797 HydrophobicContact CD1-CD2 4.18Å; I3780-F3797 HydrophobicContact CD1-CE2 4.14Å; I3780-T3830 CarbonylContact O-C 3.55Å; I3780-T3830 WeakPolarHBondContact O-CA 3.22Å; I3780-F3831 HydrophobicContact CB-CB 4.27Å; I3780-F3831 PolarHBondContact N-O 3.07Å; I3780-F3831 PolarHBondContact O-N 2.75Å; I3780-M3843 HydrophobicContact CD1-SD 3.65Å; I3780-M3843 HydrophobicContact CG1-SD 4.25Å; I3780-M3843 HydrophobicContact CG2-CE 4.15Å; I3780-M3843 HydrophobicContact CG2-SD 3.93Å; I3780-M3845 HydrophobicContact CG2-CE 4.43Å; I3780-L3853 HydrophobicContact CG2-CD1 3.89Å; I3780-L3855 HydrophobicContact CB-CD2 4.19Å; I3780-L3855 HydrophobicContact CG1-CD2 3.94Å; I3780-L3855 HydrophobicContact CG2-CD2 4.03Å |
| 3781 | E | 96.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123.5 | -168.5 | 178.9 | 176.1 | -171.9 | 0 | 0 | 111.5 | H3531 N3609 M3783 T3830 L3853 R3854 | H3531-E3781 IonicContact CE1-OE1 3.49Å; H3531-E3781 IonicContact CG-OE1 3.47Å; H3531-E3781 IonicContact ND1-OE1 3.64Å; H3531-E3781 PolarHBondContact ND1-OE1 3.03Å; N3609-E3781 PolarHBondContact ND2-OE1 3.05Å; N3609-E3781 VanDerWaalsContact ND2-OE1 3.16Å; E3781-M3783 HydrophobicContact CG-SD 4Å; E3781-T3830 HydrophobicContact CB-CG2 4.15Å; E3781-T3830 HydrophobicContact CG-CG2 4.35Å; E3781-L3853 WeakPolarHBondContact O-CA 3.46Å; E3781-L3853 WeakPolarHBondContact O-CD1 3.3Å; E3781-R3854 HydrophobicContact CB-CB 4.3Å; E3781-R3854 PolarHBondContact N-O 2.9Å; E3781-R3854 PolarHBondContact O-N 2.89Å; E3781-R3854 IonicContact OE1-CZ 3.05Å; E3781-R3854 IonicContact OE1-NE 3.55Å; E3781-R3854 IonicContact OE1-NH2 3.03Å; E3781-R3854 PolarHBondContact OE1-NH2 3.12Å; E3781-R3854 IonicContact OE2-CZ 3.37Å; E3781-R3854 IonicContact OE2-NE 3.75Å; E3781-R3854 PolarHBondContact OE2-NE 3.18Å; E3781-R3854 IonicContact OE2-NH2 3.19Å; E3781-R3854 PolarHBondContact OE2-NH2 2.89Å |
| 3782 | S | 95.1 | Very high | 92 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 124.5 | 168 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | H3531 D3784 A3787 R3790 S3829 P3850 | H3531-S3782 PolarHBondContact CE1-O 3.09Å; S3782-D3784 PolarHBondContact OG-N 2.98Å; S3782-A3787 WeakPolarHBondContact O-CB 3.3Å; S3782-R3790 PolarHBondContact OG-NH2 3.36Å; S3782-R3790 VanDerWaalsContact OG-NH2 3.12Å; S3782-S3829 PolarHBondContact N-O 3.11Å; S3782-P3850 WeakPolarHBondContact OG-CG 3.42Å |
| 3783 | M | 93.8 | Very high | 92 | Very high | 33 Ų | 33 | 23 Ų | 23 | 16% | 0.163 | 12% | 0.117 | C | C | . | . | trans | -98.7 | 7.3 | 176.3 | -58.9 | -67.3 | -54.2 | 0 | 0 | 111.9 | H3531 E3781 E3852 R3854 | H3531-M3783 HydrophobicContact CB-CE 3.55Å; H3531-M3783 HydrophobicContact CB-SD 3.99Å; H3531-M3783 PolarHBondContact ND1-SD 3.1Å; E3781-M3783 HydrophobicContact CG-SD 4Å; M3783-E3852 HydrophobicContact CB-CB 3.84Å; M3783-E3852 HydrophobicContact CB-CG 3.74Å; M3783-E3852 WeakPolarHBondContact CB-O 3.29Å; M3783-E3852 HydrophobicContact CG-CG 4.25Å; M3783-E3852 PolarHBondContact N-O 3.1Å; M3783-R3854 HydrophobicContact CG-CB 3.8Å; M3783-R3854 HydrophobicContact SD-CB 3.96Å | ||
| 3784 | D | 91.7 | Very high | 92 | Very high | 6.25 Ų | 6.25 | 22.7 Ų | 22.7 | 3% | 0.033 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -71.3 | 148.4 | -178.6 | -73.5 | -4.7 | 0 | 0 | 0 | 111.1 | S3782 D3786 A3787 R3790 P3850 Q3851 E3852 P4073 | S3782-D3784 PolarHBondContact OG-N 2.98Å; D3784-D3786 VanDerWaalsContact CB-OD1 3.24Å; D3784-D3786 WeakPolarHBondContact CB-OD1 3.42Å; D3784-D3786 PolarHBondContact O-N 3.37Å; D3784-D3786 VanDerWaalsContact O-N 3.07Å; D3784-A3787 WeakPolarHBondContact O-CB 3.38Å; D3784-A3787 PolarHBondContact O-N 2.93Å; D3784-R3790 IonicContact OD2-CZ 3.17Å; D3784-R3790 VanDerWaalsContact OD2-CZ 3.27Å; D3784-R3790 IonicContact OD2-NH1 3.23Å; D3784-R3790 PolarHBondContact OD2-NH1 2.79Å; D3784-R3790 IonicContact OD2-NH2 3.55Å; D3784-R3790 PolarHBondContact OD2-NH2 2.98Å; D3784-P3850 VanDerWaalsContact OD2-CA 3.26Å; D3784-P3850 WeakPolarHBondContact OD2-CA 3.21Å; D3784-Q3851 PolarHBondContact OD1-N 2.97Å; D3784-Q3851 PolarHBondContact OD2-N 3.16Å; D3784-E3852 PolarHBondContact OD1-N 2.92Å; D3784-P4073 HydrophobicContact CB-CB 3.88Å; D3784-P4073 HydrophobicContact CB-CG 4.12Å; D3784-P4073 VanDerWaalsContact CG-CG 3.48Å; D3784-P4073 WeakPolarHBondContact OD2-CG 3.48Å |
| 3785 | P | 88.4 | Confident | 92 | Very high | 100.25 Ų | 100.25 | 21.5 Ų | 21.5 | 65% | 0.651 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | -24 | 175.5 | -28.3 | 34.4 | 0 | 0 | 0 | 115 | V4030 | P3785-V4030 HydrophobicContact CB-CG2 3.82Å; P3785-V4030 HydrophobicContact CG-CG2 3.74Å |
| 3786 | D | 88.5 | Confident | 92.1 | Very high | 13 Ų | 13 | 21.3 Ų | 21.3 | 7% | 0.07 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 13.9 | 178.2 | 74.6 | -17.5 | 0 | 0 | 0 | 113.6 | D3784 L3788 E3789 R3790 W4078 | D3784-D3786 VanDerWaalsContact CB-OD1 3.24Å; D3784-D3786 WeakPolarHBondContact CB-OD1 3.42Å; D3784-D3786 PolarHBondContact O-N 3.37Å; D3784-D3786 VanDerWaalsContact O-N 3.07Å; D3786-L3788 PolarHBondContact O-N 3.21Å; D3786-E3789 PolarHBondContact O-N 3.04Å; D3786-R3790 PolarHBondContact O-N 3.15Å; D3786-R3790 IonicContact OD1-CZ 3.38Å; D3786-R3790 IonicContact OD1-NE 3.77Å; D3786-R3790 PolarHBondContact OD1-NE 3.36Å; D3786-R3790 IonicContact OD1-NH2 3.22Å; D3786-R3790 PolarHBondContact OD1-NH2 3.01Å; D3786-R3790 WeakPolarHBondContact OD2-CB 3.13Å; D3786-R3790 IonicContact OD2-CZ 3.29Å; D3786-R3790 IonicContact OD2-NE 3.42Å; D3786-R3790 PolarHBondContact OD2-NE 3.02Å; D3786-R3790 VanDerWaalsContact OD2-NE 3.08Å; D3786-R3790 IonicContact OD2-NH2 3.17Å; D3786-R3790 PolarHBondContact OD2-NH2 2.9Å; D3786-W4078 PolarHBondContact OD2-NE1 3.2Å |
| 3787 | A | 89.9 | Confident | 92.1 | Very high | 6.75 Ų | 6.75 | 21 Ų | 21 | 6% | 0.056 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -15 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | S3782 D3784 S3829 | S3782-A3787 WeakPolarHBondContact O-CB 3.3Å; D3784-A3787 WeakPolarHBondContact O-CB 3.38Å; D3784-A3787 PolarHBondContact O-N 2.93Å; A3787-S3829 WeakPolarHBondContact O-CB 3.29Å; A3787-S3829 PolarHBondContact O-N 3.01Å; A3787-S3829 PolarHBondContact O-OG 2.76Å |
| 3788 | L | 88.2 | Confident | 92.2 | Very high | 45.25 Ų | 45.25 | 20.9 Ų | 20.9 | 24% | 0.237 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -18.8 | 173.6 | -60.9 | -179.9 | 0 | 0 | 0 | 113.9 | R3529 D3786 K3826 R3827 M3828 | R3529-L3788 HydrophobicContact CG-CD1 4.39Å; R3529-L3788 HydrophobicContact CG-CD2 3.98Å; D3786-L3788 PolarHBondContact O-N 3.21Å; L3788-K3826 HydrophobicContact CB-CB 4.3Å; L3788-K3826 HydrophobicContact CB-CG 4.45Å; L3788-K3826 CarbonylContact O-C 3.44Å; L3788-K3826 VanDerWaalsContact O-CA 3.25Å; L3788-K3826 WeakPolarHBondContact O-CA 3.42Å; L3788-R3827 CarbonylContact C-O 3.51Å; L3788-R3827 WeakPolarHBondContact CA-O 3.44Å; L3788-R3827 PolarHBondContact O-N 3.16Å; L3788-R3827 VanDerWaalsContact O-N 3.1Å; L3788-M3828 HydrophobicContact CD2-CB 4.28Å |
| 3789 | E | 84.4 | Confident | 92.2 | Very high | 116.25 Ų | 116.25 | 21 Ų | 21 | 54% | 0.543 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | -34.2 | -168.7 | -60.2 | -174.8 | 168.1 | 0 | 0 | 111.9 | D3786 R3791 K3826 | D3786-E3789 PolarHBondContact O-N 3.04Å; E3789-R3791 PolarHBondContact O-N 3.36Å; E3789-K3826 IonicContact OE1-NZ 2.89Å; E3789-K3826 PolarHBondContact OE1-NZ 3.02Å |
| 3790 | R | 85.4 | Confident | 92 | Very high | 19.5 Ų | 19.5 | 23.3 Ų | 23.3 | 7% | 0.074 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -84.7 | 121.8 | 177 | -179.5 | 172.4 | 46.3 | 156 | -4.1 | 110.9 | S3782 D3784 D3786 L3792 S3829 T3848 P3849 V4082 | S3782-R3790 PolarHBondContact OG-NH2 3.36Å; S3782-R3790 VanDerWaalsContact OG-NH2 3.12Å; D3784-R3790 IonicContact OD2-CZ 3.17Å; D3784-R3790 VanDerWaalsContact OD2-CZ 3.27Å; D3784-R3790 IonicContact OD2-NH1 3.23Å; D3784-R3790 PolarHBondContact OD2-NH1 2.79Å; D3784-R3790 IonicContact OD2-NH2 3.55Å; D3784-R3790 PolarHBondContact OD2-NH2 2.98Å; D3786-R3790 PolarHBondContact O-N 3.15Å; D3786-R3790 IonicContact OD1-CZ 3.38Å; D3786-R3790 IonicContact OD1-NE 3.77Å; D3786-R3790 PolarHBondContact OD1-NE 3.36Å; D3786-R3790 IonicContact OD1-NH2 3.22Å; D3786-R3790 PolarHBondContact OD1-NH2 3.01Å; D3786-R3790 WeakPolarHBondContact OD2-CB 3.13Å; D3786-R3790 IonicContact OD2-CZ 3.29Å; D3786-R3790 IonicContact OD2-NE 3.42Å; D3786-R3790 PolarHBondContact OD2-NE 3.02Å; D3786-R3790 VanDerWaalsContact OD2-NE 3.08Å; D3786-R3790 IonicContact OD2-NH2 3.17Å; D3786-R3790 PolarHBondContact OD2-NH2 2.9Å; R3790-L3792 HydrophobicContact CG-CD2 4.07Å; R3790-L3792 PolarHBondContact O-N 3.3Å; R3790-S3829 PolarHBondContact O-OG 3.19Å; R3790-T3848 PolarHBondContact NH1-O 3.09Å; R3790-P3849 VanDerWaalsContact NH1-C 3.32Å; R3790-P3849 PolarHBondContact NH1-O 3.1Å; R3790-V4082 HydrophobicContact CG-CG1 4.27Å |
| 3791 | R | 86.3 | Confident | 91.8 | Very high | 78.5 Ų | 78.5 | 26.2 Ų | 26.2 | 30% | 0.296 | 15% | 0.15 | S | C | . | . | trans | -83.6 | 109.2 | 172.9 | -171.6 | -176.7 | -177.8 | -167 | 5.9 | 111 | N3680 D3681 E3789 S3793 N3811 S3847 | N3680-R3791 PolarHBondContact ND2-NH1 3.09Å; D3681-R3791 IonicContact OD1-CZ 3.34Å; D3681-R3791 IonicContact OD1-NH1 3.19Å; D3681-R3791 PolarHBondContact OD1-NH1 3.18Å; D3681-R3791 IonicContact OD1-NH2 3.27Å; D3681-R3791 PolarHBondContact OD1-NH2 3.01Å; D3681-R3791 IonicContact OD2-NH1 3.34Å; E3789-R3791 PolarHBondContact O-N 3.36Å; R3791-S3793 VanDerWaalsContact C-N 3.34Å; R3791-S3793 WeakPolarHBondContact CG-OG 3.44Å; R3791-S3793 PolarHBondContact NE-O 3.13Å; R3791-S3793 PolarHBondContact NE-OG 3.07Å; R3791-S3793 VanDerWaalsContact NE-OG 3.08Å; R3791-N3811 PolarHBondContact NH2-OD1 3.14Å; R3791-N3811 VanDerWaalsContact NH2-OD1 3.1Å; R3791-S3847 VanDerWaalsContact O-CB 3.27Å; R3791-S3847 WeakPolarHBondContact O-CB 3.25Å | ||
| 3792 | L | 90.5 | Very high | 91.5 | Very high | 1.5 Ų | 1.5 | 28.5 Ų | 28.5 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | trans | -84.5 | -14.2 | 173.6 | -57.4 | 174.3 | 0 | 0 | 0 | 113.1 | R3790 F3831 M3845 T3846 T3848 P3850 | R3790-L3792 HydrophobicContact CG-CD2 4.07Å; R3790-L3792 PolarHBondContact O-N 3.3Å; L3792-F3831 HydrophobicContact CB-CE2 4.16Å; L3792-F3831 HydrophobicContact CB-CZ 4.02Å; L3792-F3831 HydrophobicContact CD1-CE2 4.14Å; L3792-M3845 HydrophobicContact CB-SD 4.17Å; L3792-M3845 HydrophobicContact CD1-SD 4.08Å; L3792-M3845 HydrophobicContact CD2-SD 4.16Å; L3792-M3845 HydrophobicContact CG-SD 4.36Å; L3792-T3846 PolarHBondContact O-N 3.1Å; L3792-T3846 VanDerWaalsContact O-N 3.1Å; L3792-T3848 VanDerWaalsContact CD2-O 3.26Å; L3792-T3848 WeakPolarHBondContact CD2-O 3.32Å; L3792-P3850 HydrophobicContact CD1-CG 3.48Å; L3792-P3850 VanDerWaalsContact CD1-CG 3.46Å; L3792-P3850 HydrophobicContact CD2-CG 4.42Å | ||
| 3793 | S | 91.8 | Very high | 91.2 | Very high | 5.5 Ų | 5.5 | 35.1 Ų | 35.1 | 4% | 0.038 | 21% | 0.209 | C | C | . | . | P | Polyproline II helix | trans | -90.6 | 156.4 | -172 | 70.1 | 0 | 0 | 0 | 0 | 114.8 | R3791 N3811 | R3791-S3793 VanDerWaalsContact C-N 3.34Å; R3791-S3793 WeakPolarHBondContact CG-OG 3.44Å; R3791-S3793 PolarHBondContact NE-O 3.13Å; R3791-S3793 PolarHBondContact NE-OG 3.07Å; R3791-S3793 VanDerWaalsContact NE-OG 3.08Å; S3793-N3811 VanDerWaalsContact CB-C 3.47Å; S3793-N3811 WeakPolarHBondContact CB-O 3.23Å; S3793-N3811 PolarHBondContact OG-O 3.1Å; S3793-N3811 PolarHBondContact OG-OD1 3.13Å |
| 3794 | P | 93.1 | Very high | 91 | Very high | 7.5 Ų | 7.5 | 35.2 Ų | 35.2 | 5% | 0.049 | 22% | 0.215 | C | C | . | . | S | Bend | cis | -64 | 140.6 | -5.4 | 13 | -16.8 | 0 | 0 | 0 | 113 | M3682 R3726 L3809 I3810 T3846 | M3682-P3794 HydrophobicContact CE-CB 4Å; M3682-P3794 HydrophobicContact SD-CB 3.88Å; M3682-P3794 HydrophobicContact SD-CG 3.86Å; R3726-P3794 HydrophobicContact CB-CG 4.15Å; R3726-P3794 VanDerWaalsContact O-CG 3.26Å; R3726-P3794 WeakPolarHBondContact O-CG 3.31Å; P3794-L3809 HydrophobicContact CB-CB 4.44Å; P3794-L3809 HydrophobicContact CB-CD2 4.48Å; P3794-I3810 CarbonylContact C-O 3.56Å; P3794-I3810 VanDerWaalsContact CA-O 3.28Å; P3794-I3810 WeakPolarHBondContact CA-O 3.38Å; P3794-T3846 VanDerWaalsContact CD-OG1 3.3Å; P3794-T3846 WeakPolarHBondContact CD-OG1 3.36Å; P3794-T3846 PolarHBondContact O-N 3.33Å; P3794-T3846 PolarHBondContact O-OG1 3.06Å |
| 3795 | I | 95 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 119.5 | 165.5 | -61.6 | -175.6 | 0 | 0 | 0 | 106.8 | F3797 L3809 I3810 F3831 M3843 Y3844 M3845 | I3795-F3797 PolarHBondContact O-N 2.93Å; I3795-L3809 WeakPolarHBondContact O-CA 3.21Å; I3795-I3810 HydrophobicContact CB-CB 4.28Å; I3795-I3810 PolarHBondContact N-O 3.06Å; I3795-I3810 PolarHBondContact O-N 3.01Å; I3795-F3831 HydrophobicContact CD1-CB 4.19Å; I3795-F3831 HydrophobicContact CD1-CD1 3.92Å; I3795-F3831 HydrophobicContact CD1-CD2 3.43Å; I3795-F3831 VanDerWaalsContact CD1-CD2 3.43Å; I3795-F3831 HydrophobicContact CD1-CE1 4.18Å; I3795-F3831 HydrophobicContact CD1-CE2 3.71Å; I3795-F3831 HydrophobicContact CD1-CG 3.55Å; I3795-F3831 HydrophobicContact CD1-CZ 4.08Å; I3795-F3831 HydrophobicContact CG1-CD1 4.42Å; I3795-F3831 HydrophobicContact CG1-CE1 4.42Å; I3795-F3831 HydrophobicContact CG1-CG 4.48Å; I3795-M3843 HydrophobicContact CD1-SD 4.44Å; I3795-M3843 HydrophobicContact CG2-CG 3.35Å; I3795-M3843 HydrophobicContact CG2-SD 3.78Å; I3795-Y3844 CarbonylContact C-O 3.56Å; I3795-Y3844 WeakPolarHBondContact CA-O 3.32Å; I3795-M3845 HydrophobicContact CD1-CE 4.43Å; I3795-M3845 HydrophobicContact CD1-CG 4.36Å; I3795-M3845 HydrophobicContact CG1-CG 4.22Å |
| 3796 | A | 95.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 115.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109 | I3727 P3728 M3731 I3807 D3808 L3809 M3843 Y3844 | I3727-A3796 HydrophobicContact CG2-CB 4.42Å; P3728-A3796 VanDerWaalsContact CD-CB 3.41Å; P3728-A3796 HydrophobicContact CG-CB 4.06Å; M3731-A3796 HydrophobicContact CE-CB 4.44Å; M3731-A3796 HydrophobicContact SD-CB 3.4Å; M3731-A3796 WeakPolarHBondContact SD-CB 3.43Å; A3796-I3807 HydrophobicContact CB-CD1 4.37Å; A3796-D3808 WeakPolarHBondContact CA-O 3.32Å; A3796-L3809 HydrophobicContact CB-CD2 3.97Å; A3796-M3843 WeakPolarHBondContact O-CA 3.36Å; A3796-Y3844 PolarHBondContact N-O 3.31Å; A3796-Y3844 PolarHBondContact O-N 3.05Å |
| 3797 | F | 96.4 | Very high | 91.8 | Very high | 1.5 Ų | 1.5 | 31.4 Ų | 31.4 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120.2 | -178.8 | -165.4 | -87.5 | 0 | 0 | 0 | 108.6 | S3751 L3778 I3780 I3795 D3808 I3810 S3833 V3835 F3841 M3843 L3868 | S3751-F3797 VanDerWaalsContact CB-O 3.27Å; S3751-F3797 WeakPolarHBondContact CB-O 3.36Å; S3751-F3797 WeakPolarHBondContact OG-CD1 3.44Å; L3778-F3797 HydrophobicContact CD2-CE2 3.79Å; L3778-F3797 HydrophobicContact CD2-CZ 3.81Å; I3780-F3797 HydrophobicContact CD1-CD2 4.18Å; I3780-F3797 HydrophobicContact CD1-CE2 4.14Å; I3795-F3797 PolarHBondContact O-N 2.93Å; F3797-D3808 PolarHBondContact N-O 2.93Å; F3797-D3808 PolarHBondContact O-N 3.21Å; F3797-I3810 HydrophobicContact CB-CD1 3.78Å; F3797-I3810 HydrophobicContact CB-CG1 4.47Å; F3797-I3810 HydrophobicContact CG-CD1 4.29Å; F3797-S3833 WeakPolarHBondContact CD1-OG 3.1Å; F3797-S3833 WeakPolarHBondContact CE1-OG 3.05Å; F3797-S3833 WeakPolarHBondContact CG-OG 3.37Å; F3797-S3833 WeakPolarHBondContact CZ-OG 3.33Å; F3797-V3835 HydrophobicContact CE1-CG1 3.84Å; F3797-V3835 HydrophobicContact CZ-CG1 3.77Å; F3797-F3841 HydrophobicContact CD1-CD1 4.06Å; F3797-F3841 HydrophobicContact CE1-CB 3.86Å; F3797-F3841 AromaticContact CE1-CD1 3.33Å; F3797-F3841 HydrophobicContact CE1-CD1 3.33Å; F3797-F3841 HydrophobicContact CE1-CD2 4.49Å; F3797-F3841 AromaticContact CE1-CE1 3.96Å; F3797-F3841 HydrophobicContact CE1-CE1 3.96Å; F3797-F3841 AromaticContact CE1-CG 3.66Å; F3797-F3841 HydrophobicContact CE1-CG 3.66Å; F3797-F3841 HydrophobicContact CE2-CB 4.47Å; F3797-F3841 HydrophobicContact CZ-CB 3.75Å; F3797-F3841 HydrophobicContact CZ-CD1 4.04Å; F3797-F3841 AromaticContact CZ-CG 3.88Å; F3797-F3841 HydrophobicContact CZ-CG 3.88Å; F3797-M3843 HydrophobicContact CD2-CB 4.04Å; F3797-M3843 HydrophobicContact CD2-CG 4.15Å; F3797-M3843 HydrophobicContact CD2-SD 4.33Å; F3797-M3843 HydrophobicContact CE2-CB 4.42Å; F3797-L3868 HydrophobicContact CD2-CD1 4.43Å; F3797-L3868 HydrophobicContact CE2-CD1 3.54Å; F3797-L3868 HydrophobicContact CE2-CD2 4.48Å; F3797-L3868 HydrophobicContact CZ-CD1 3.94Å |
| 3798 | A | 96.4 | Very high | 92 | Very high | 0.25 Ų | 0.25 | 31.4 Ų | 31.4 | 0% | 0.002 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 155.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | M3731 W3746 Y3806 I3807 F3841 V3842 | M3731-A3798 HydrophobicContact CE-CB 3.6Å; W3746-A3798 HydrophobicContact CG-CB 4.43Å; A3798-Y3806 CarbonylContact C-O 3.52Å; A3798-Y3806 WeakPolarHBondContact CA-O 3.4Å; A3798-Y3806 VanDerWaalsContact CB-O 3.23Å; A3798-Y3806 WeakPolarHBondContact CB-O 3.24Å; A3798-I3807 HydrophobicContact CB-CB 4.13Å; A3798-I3807 HydrophobicContact CB-CG1 4.15Å; A3798-F3841 CarbonylContact O-C 3.49Å; A3798-F3841 WeakPolarHBondContact O-CA 3.37Å; A3798-F3841 WeakPolarHBondContact O-CB 3.17Å; A3798-V3842 HydrophobicContact CB-CG2 4.07Å; A3798-V3842 PolarHBondContact N-O 2.79Å; A3798-V3842 PolarHBondContact O-N 2.96Å |
| 3799 | T | 96.4 | Very high | 92.4 | Very high | 1.25 Ų | 1.25 | 29.5 Ų | 29.5 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 151.8 | 171.1 | 64.4 | 0 | 0 | 0 | 0 | 110.7 | W3746 I3753 L3802 N3805 Y3806 N3840 F3841 | W3746-T3799 PolarHBondContact NE1-O 3.01Å; I3753-T3799 HydrophobicContact CB-CG2 4.05Å; I3753-T3799 HydrophobicContact CD1-CG2 3.79Å; I3753-T3799 VanDerWaalsContact CD1-CG2 3.46Å; I3753-T3799 HydrophobicContact CG1-CG2 3.87Å; T3799-L3802 HydrophobicContact CG2-CD1 3.86Å; T3799-N3805 PolarHBondContact O-OD1 2.93Å; T3799-N3805 WeakPolarHBondContact OG1-CA 3.36Å; T3799-N3805 VanDerWaalsContact OG1-CB 3.28Å; T3799-N3805 WeakPolarHBondContact OG1-CB 3.35Å; T3799-N3805 PolarHBondContact OG1-OD1 3.03Å; T3799-N3805 VanDerWaalsContact OG1-OD1 3.1Å; T3799-Y3806 HydrophobicContact CG2-CD2 4.38Å; T3799-Y3806 PolarHBondContact N-O 3.08Å; T3799-Y3806 PolarHBondContact OG1-N 2.91Å; T3799-N3840 WeakPolarHBondContact CA-O 3.23Å; T3799-F3841 HydrophobicContact CG2-CD1 4.02Å; T3799-F3841 HydrophobicContact CG2-CE1 3.72Å; T3799-F3841 HydrophobicContact CG2-CZ 4.48Å |
| 3800 | D | 92.8 | Very high | 92.8 | Very high | 49 Ų | 49 | 23.9 Ų | 23.9 | 26% | 0.262 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 134.6 | 176.4 | 177.7 | 38.1 | 0 | 0 | 0 | 111.1 | N3840 V3842 R3867 | D3800-N3840 HydrophobicContact CB-CB 4.44Å; D3800-N3840 PolarHBondContact N-O 3.16Å; D3800-V3842 HydrophobicContact CB-CG1 4.06Å; D3800-R3867 IonicContact OD2-NH2 2.88Å; D3800-R3867 PolarHBondContact OD2-NH2 3.04Å; D3800-R3867 VanDerWaalsContact OD2-NH2 3.09Å |
| 3801 | G | 90.7 | Very high | 93.2 | Very high | 63.3333 Ų | 63.3333 | 23 Ų | 23 | 65% | 0.653 | 15% | 0.147 | S | C | * | . | S | Bend | trans | 80.2 | 13.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 3802 | L | 91.5 | Very high | 93.3 | Very high | 48.6667 Ų | 48.6667 | 19.5 Ų | 19.5 | 26% | 0.255 | 14% | 0.135 | S | C | . | . | trans | -85.1 | 158.4 | 168.4 | -57 | -176.7 | 0 | 0 | 0 | 111.1 | I3753 T3799 A3804 N3805 Y3806 K3839 | I3753-L3802 HydrophobicContact CD1-CD1 4.08Å; I3753-L3802 HydrophobicContact CG1-CD1 4.3Å; I3753-L3802 HydrophobicContact CG2-CD1 4.25Å; T3799-L3802 HydrophobicContact CG2-CD1 3.86Å; L3802-A3804 VanDerWaalsContact C-N 3.26Å; L3802-A3804 PolarHBondContact O-N 2.97Å; L3802-N3805 WeakPolarHBondContact CB-OD1 3.26Å; L3802-N3805 PolarHBondContact N-OD1 2.94Å; L3802-Y3806 HydrophobicContact CD1-CD2 4.26Å; L3802-Y3806 HydrophobicContact CD1-CE2 4.49Å; L3802-K3839 HydrophobicContact CD2-CD 4.39Å | ||
| 3803 | S | 87.5 | Confident | 93.2 | Very high | 139.667 Ų | 139.667 | 19.6 Ų | 19.6 | 98% | 0.977 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -61.5 | -35.9 | 173.4 | 53.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 3804 | A | 90.8 | Very high | 93.1 | Very high | 35.6667 Ų | 35.6667 | 19.4 Ų | 19.4 | 30% | 0.295 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -133.3 | 104 | 171 | 0 | 0 | 0 | 0 | 0 | 108.6 | P3747 N3748 L3802 | P3747-A3804 HydrophobicContact CG-CB 4.04Å; N3748-A3804 WeakPolarHBondContact ND2-CB 3.21Å; N3748-A3804 PolarHBondContact ND2-O 2.85Å; L3802-A3804 VanDerWaalsContact C-N 3.26Å; L3802-A3804 PolarHBondContact O-N 2.97Å |
| 3805 | N | 94.1 | Very high | 92.8 | Very high | 14.6667 Ų | 14.6667 | 19.1 Ų | 19.1 | 8% | 0.078 | 13% | 0.132 | C | C | . | . | trans | -75.6 | 156.5 | -177.3 | -65.3 | -60.6 | 0 | 0 | 0 | 112.4 | Q3745 W3746 P3747 N3748 T3799 L3802 | Q3745-N3805 WeakPolarHBondContact O-CB 3.26Å; Q3745-N3805 PolarHBondContact O-ND2 3.11Å; W3746-N3805 CarbonylContact C-O 3.54Å; W3746-N3805 VanDerWaalsContact CD1-CB 3.46Å; W3746-N3805 HydrophobicContact CG-CB 4.35Å; P3747-N3805 WeakPolarHBondContact CD-O 3.29Å; N3748-N3805 PolarHBondContact N-O 3.16Å; N3748-N3805 VanDerWaalsContact N-O 3.16Å; T3799-N3805 PolarHBondContact O-OD1 2.93Å; T3799-N3805 WeakPolarHBondContact OG1-CA 3.36Å; T3799-N3805 VanDerWaalsContact OG1-CB 3.28Å; T3799-N3805 WeakPolarHBondContact OG1-CB 3.35Å; T3799-N3805 PolarHBondContact OG1-OD1 3.03Å; T3799-N3805 VanDerWaalsContact OG1-OD1 3.1Å; L3802-N3805 WeakPolarHBondContact CB-OD1 3.26Å; L3802-N3805 PolarHBondContact N-OD1 2.94Å | ||
| 3806 | Y | 95.3 | Very high | 92.3 | Very high | 25.3333 Ų | 25.3333 | 20.1 Ų | 20.1 | 10% | 0.099 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 148.1 | 176.9 | -66.3 | -103.4 | 0 | 0 | 0 | 110.2 | N3748 G3750 I3752 I3753 R3754 A3798 T3799 L3802 | N3748-Y3806 HydrophobicContact CB-CD1 3.27Å; N3748-Y3806 HydrophobicContact CB-CD2 4.21Å; N3748-Y3806 HydrophobicContact CB-CE1 3.37Å; N3748-Y3806 VanDerWaalsContact CB-CE1 3.44Å; N3748-Y3806 HydrophobicContact CB-CE2 4.3Å; N3748-Y3806 HydrophobicContact CB-CG 3.71Å; N3748-Y3806 CarbonylContact O-C 3.51Å; N3748-Y3806 VanDerWaalsContact O-CA 3.24Å; N3748-Y3806 WeakPolarHBondContact O-CA 3.22Å; G3750-Y3806 VanDerWaalsContact O-CD1 3.32Å; G3750-Y3806 WeakPolarHBondContact O-CD1 3.46Å; I3752-Y3806 WeakPolarHBondContact O-CD1 2.96Å; I3753-Y3806 HydrophobicContact CB-CD2 4.37Å; I3753-Y3806 HydrophobicContact CB-CG 4.48Å; I3753-Y3806 HydrophobicContact CG1-CD2 4.06Å; I3753-Y3806 HydrophobicContact CG1-CE2 4.2Å; I3753-Y3806 HydrophobicContact CG2-CE2 4.39Å; R3754-Y3806 HydrophobicContact CB-CE1 4.27Å; R3754-Y3806 WeakPolarHBondContact CB-OH 3.46Å; R3754-Y3806 PolarHBondContact N-OH 2.79Å; R3754-Y3806 PolarHBondContact O-OH 3.08Å; A3798-Y3806 CarbonylContact C-O 3.52Å; A3798-Y3806 WeakPolarHBondContact CA-O 3.4Å; A3798-Y3806 VanDerWaalsContact CB-O 3.23Å; A3798-Y3806 WeakPolarHBondContact CB-O 3.24Å; T3799-Y3806 HydrophobicContact CG2-CD2 4.38Å; T3799-Y3806 PolarHBondContact N-O 3.08Å; T3799-Y3806 PolarHBondContact OG1-N 2.91Å; L3802-Y3806 HydrophobicContact CD1-CD2 4.26Å; L3802-Y3806 HydrophobicContact CD1-CE2 4.49Å |
| 3807 | I | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 132 | 170.7 | -174.3 | 167.4 | 0 | 0 | 0 | 110.5 | I3727 M3731 W3746 N3748 K3749 G3750 S3751 A3796 A3798 | I3727-I3807 HydrophobicContact CD1-CD1 3.76Å; I3727-I3807 HydrophobicContact CG1-CD1 3.9Å; I3727-I3807 HydrophobicContact CG2-CD1 4.36Å; M3731-I3807 HydrophobicContact CE-CD1 3.68Å; M3731-I3807 HydrophobicContact CE-CG1 4.39Å; M3731-I3807 HydrophobicContact SD-CD1 4.08Å; W3746-I3807 HydrophobicContact CB-CB 3.71Å; W3746-I3807 HydrophobicContact CB-CG2 3.55Å; W3746-I3807 HydrophobicContact CD2-CD1 4.3Å; W3746-I3807 HydrophobicContact CE3-CD1 4.22Å; W3746-I3807 HydrophobicContact CG-CB 3.9Å; W3746-I3807 HydrophobicContact CG-CD1 4.48Å; W3746-I3807 HydrophobicContact CG-CG2 4.26Å; N3748-I3807 PolarHBondContact O-N 3.22Å; K3749-I3807 CarbonylContact C-O 3.47Å; K3749-I3807 HydrophobicContact CD-CG2 3.68Å; G3750-I3807 CarbonylContact C-O 3.5Å; G3750-I3807 VanDerWaalsContact CA-O 3.31Å; G3750-I3807 WeakPolarHBondContact CA-O 3.31Å; G3750-I3807 PolarHBondContact N-O 3.16Å; S3751-I3807 PolarHBondContact N-O 2.99Å; A3796-I3807 HydrophobicContact CB-CD1 4.37Å; A3798-I3807 HydrophobicContact CB-CB 4.13Å; A3798-I3807 HydrophobicContact CB-CG1 4.15Å |
| 3808 | D | 94.8 | Very high | 89.6 | Confident | 6 Ų | 6 | 26.7 Ų | 26.7 | 3% | 0.032 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 154.5 | 169 | -141.7 | -11.2 | 0 | 0 | 0 | 110.6 | K3689 S3710 S3751 A3796 F3797 I3810 | K3689-D3808 VanDerWaalsContact CE-OD2 3.28Å; K3689-D3808 WeakPolarHBondContact CE-OD2 3.3Å; K3689-D3808 IonicContact NZ-OD1 3.34Å; K3689-D3808 PolarHBondContact NZ-OD1 3.25Å; K3689-D3808 VanDerWaalsContact NZ-OD1 3.08Å; K3689-D3808 IonicContact NZ-OD2 3.02Å; K3689-D3808 PolarHBondContact NZ-OD2 3.23Å; S3710-D3808 PolarHBondContact OG-OD1 3.3Å; S3710-D3808 VanDerWaalsContact OG-OD1 3.07Å; S3710-D3808 PolarHBondContact OG-OD2 3.3Å; S3751-D3808 VanDerWaalsContact CB-CB 3.43Å; S3751-D3808 WeakPolarHBondContact CB-OD2 3.36Å; S3751-D3808 VanDerWaalsContact N-CB 3.27Å; S3751-D3808 PolarHBondContact N-OD2 3.03Å; S3751-D3808 WeakPolarHBondContact OG-CB 3.29Å; S3751-D3808 PolarHBondContact OG-OD2 3.06Å; A3796-D3808 WeakPolarHBondContact CA-O 3.32Å; F3797-D3808 PolarHBondContact N-O 2.93Å; F3797-D3808 PolarHBondContact O-N 3.21Å; D3808-I3810 HydrophobicContact CB-CG1 4.34Å |
| 3809 | L | 94.8 | Very high | 88.2 | Confident | 4.66667 Ų | 4.66667 | 29.6 Ų | 29.6 | 2% | 0.024 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 116.4 | 170.8 | -62.8 | 172 | 0 | 0 | 0 | 107.7 | M3682 Y3714 V3722 G3723 R3726 I3727 P3794 I3795 A3796 | M3682-L3809 HydrophobicContact CE-CB 3.96Å; M3682-L3809 WeakPolarHBondContact CE-O 3.46Å; Y3714-L3809 HydrophobicContact CE2-CD1 3.79Å; Y3714-L3809 HydrophobicContact CE2-CG 4.24Å; V3722-L3809 HydrophobicContact CG1-CD1 4.38Å; V3722-L3809 HydrophobicContact CG2-CD1 4.37Å; G3723-L3809 VanDerWaalsContact O-CD1 3.3Å; G3723-L3809 WeakPolarHBondContact O-CD1 3.37Å; R3726-L3809 HydrophobicContact CB-CD1 3.83Å; I3727-L3809 HydrophobicContact CG1-CD2 4.06Å; P3794-L3809 HydrophobicContact CB-CB 4.44Å; P3794-L3809 HydrophobicContact CB-CD2 4.48Å; I3795-L3809 WeakPolarHBondContact O-CA 3.21Å; A3796-L3809 HydrophobicContact CB-CD2 3.97Å |
| 3810 | I | 94.6 | Very high | 86.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 113.3 | -174.2 | -50.4 | 174.6 | 0 | 0 | 0 | 108.1 | D3685 P3794 I3795 F3797 D3808 F3831 | D3685-I3810 VanDerWaalsContact OD2-C 3.31Å; D3685-I3810 WeakPolarHBondContact OD2-CA 3.46Å; D3685-I3810 WeakPolarHBondContact OD2-CG2 3.25Å; P3794-I3810 CarbonylContact C-O 3.56Å; P3794-I3810 VanDerWaalsContact CA-O 3.28Å; P3794-I3810 WeakPolarHBondContact CA-O 3.38Å; I3795-I3810 HydrophobicContact CB-CB 4.28Å; I3795-I3810 PolarHBondContact N-O 3.06Å; I3795-I3810 PolarHBondContact O-N 3.01Å; F3797-I3810 HydrophobicContact CB-CD1 3.78Å; F3797-I3810 HydrophobicContact CB-CG1 4.47Å; F3797-I3810 HydrophobicContact CG-CD1 4.29Å; D3808-I3810 HydrophobicContact CB-CG1 4.34Å; I3810-F3831 HydrophobicContact CG2-CB 4.07Å; I3810-F3831 HydrophobicContact CG2-CD1 4.05Å |
| 3811 | N | 92.8 | Very high | 84.8 | Confident | 0.666667 Ų | 0.666667 | 37.9 Ų | 37.9 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | trans | -80.5 | -26.3 | -179.3 | -170.6 | 21.3 | 0 | 0 | 0 | 113 | C3679 M3682 E3683 D3685 R3791 S3793 R3827 | C3679-N3811 PolarHBondContact O-ND2 2.94Å; M3682-N3811 HydrophobicContact CB-CB 4.13Å; M3682-N3811 WeakPolarHBondContact CB-ND2 3.5Å; M3682-N3811 HydrophobicContact CE-CB 4.06Å; M3682-N3811 HydrophobicContact CG-CB 3.99Å; M3682-N3811 PolarHBondContact O-ND2 3.2Å; M3682-N3811 VanDerWaalsContact O-ND2 3.15Å; M3682-N3811 HydrophobicContact SD-CB 3.93Å; E3683-N3811 PolarHBondContact O-ND2 3.03Å; D3685-N3811 PolarHBondContact OD1-N 3.28Å; D3685-N3811 WeakPolarHBondContact OD2-CA 3.25Å; D3685-N3811 PolarHBondContact OD2-N 3.07Å; R3791-N3811 PolarHBondContact NH2-OD1 3.14Å; R3791-N3811 VanDerWaalsContact NH2-OD1 3.1Å; S3793-N3811 VanDerWaalsContact CB-C 3.47Å; S3793-N3811 WeakPolarHBondContact CB-O 3.23Å; S3793-N3811 PolarHBondContact OG-O 3.1Å; S3793-N3811 PolarHBondContact OG-OD1 3.13Å; N3811-R3827 PolarHBondContact O-NH2 3Å; N3811-R3827 VanDerWaalsContact O-NH2 3.12Å; N3811-R3827 PolarHBondContact OD1-NH1 2.03Å; N3811-R3827 PolarHBondContact OD1-NH2 2.95Å | ||
| 3812 | G | 88.5 | Confident | 83.4 | Confident | 3.33333 Ų | 3.33333 | 43 Ų | 43 | 3% | 0.034 | 26% | 0.262 | C | S | . | . | trans | 79.9 | 179.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D3685 R3827 F3831 | D3685-G3812 PolarHBondContact OD2-N 3.06Å; G3812-R3827 PolarHBondContact O-NH2 3.12Å; G3812-R3827 VanDerWaalsContact O-NH2 3.12Å; G3812-F3831 VanDerWaalsContact CA-CD1 3.44Å; G3812-F3831 VanDerWaalsContact CA-CE1 3.48Å | ||
| 3813 | P | 88.9 | Confident | 81.9 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.032 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 160.6 | -174.1 | 26.1 | -34 | 0 | 0 | 0 | 113.2 | F3607 D3643 R3827 M3828 T3830 | F3607-P3813 HydrophobicContact CD1-CB 4.32Å; F3607-P3813 HydrophobicContact CE1-CB 3.96Å; F3607-P3813 HydrophobicContact CE1-CG 4.04Å; D3643-P3813 WeakPolarHBondContact OD1-CA 3.46Å; D3643-P3813 WeakPolarHBondContact OD1-CB 3.2Å; P3813-R3827 VanDerWaalsContact O-CZ 3.27Å; P3813-R3827 PolarHBondContact O-NE 3.35Å; P3813-R3827 PolarHBondContact O-NH2 3.12Å; P3813-M3828 VanDerWaalsContact CD-O 3.24Å; P3813-M3828 WeakPolarHBondContact CD-O 3.47Å; P3813-M3828 HydrophobicContact CG-CB 3.93Å; P3813-M3828 HydrophobicContact CG-CE 4.27Å; P3813-M3828 WeakPolarHBondContact CG-O 3.3Å; P3813-T3830 VanDerWaalsContact CD-O 3.25Å; P3813-T3830 WeakPolarHBondContact CD-O 3.32Å |
| 3814 | S | 89 | Confident | 81.1 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -68.6 | 157.8 | 175.6 | 179.6 | 0 | 0 | 0 | 0 | 112.3 | W3603 D3643 K3678 H3816 | W3603-S3814 VanDerWaalsContact CH2-CB 3.42Å; D3643-S3814 PolarHBondContact OD1-N 2.93Å; K3678-S3814 VanDerWaalsContact CA-OG 3.29Å; K3678-S3814 WeakPolarHBondContact CA-OG 3.38Å; K3678-S3814 VanDerWaalsContact CD-OG 3.32Å; K3678-S3814 WeakPolarHBondContact CD-OG 3.31Å; S3814-H3816 PolarHBondContact O-CD2 3.16Å |
| 3815 | D | 87.8 | Confident | 80.3 | Confident | 1.33333 Ų | 1.33333 | 40 Ų | 40 | 1% | 0.007 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 136.7 | 160.8 | -165.6 | -9.1 | 0 | 0 | 0 | 110.5 | K3678 G3817 L3825 K3826 R3827 | K3678-D3815 PolarHBondContact NZ-O 3.03Å; K3678-D3815 VanDerWaalsContact NZ-O 3.13Å; K3678-D3815 PolarHBondContact O-N 3Å; D3815-G3817 PolarHBondContact OD1-N 3.19Å; D3815-L3825 WeakPolarHBondContact OD2-CA 3.1Å; D3815-L3825 PolarHBondContact OD2-N 3.15Å; D3815-K3826 VanDerWaalsContact OD1-O 3.08Å; D3815-K3826 PolarHBondContact OD2-N 3.19Å; D3815-K3826 VanDerWaalsContact OD2-N 3.13Å; D3815-R3827 HydrophobicContact CB-CG 3.82Å |
| 3816 | H | 83 | Confident | 79.7 | Confident | 22.6667 Ų | 22.6667 | 42.9 Ų | 42.9 | 11% | 0.105 | 25% | 0.247 | C | C | . | . | trans | -124.6 | -2.9 | 177.5 | -66.3 | -64.2 | 0 | 0 | 0 | 113 | W3603 M3604 E3605 D3606 D3643 S3814 | W3603-H3816 AromaticContact CD2-CE1 3.84Å; W3603-H3816 AromaticContact CE2-CE1 3.22Å; W3603-H3816 AromaticContact CE2-NE2 3.5Å; W3603-H3816 AromaticContact CE3-CE1 3.59Å; W3603-H3816 AromaticContact CE3-NE2 3.83Å; W3603-H3816 AromaticContact CH2-CE1 3.93Å; W3603-H3816 AromaticContact CZ2-CE1 3.31Å; W3603-H3816 WeakPolarHBondContact CZ2-CE1 3.2Å; W3603-H3816 AromaticContact CZ2-NE2 3.4Å; W3603-H3816 WeakPolarHBondContact CZ2-NE2 3.3Å; W3603-H3816 AromaticContact CZ3-CE1 3.28Å; W3603-H3816 WeakPolarHBondContact CZ3-CE1 3.24Å; W3603-H3816 AromaticContact CZ3-NE2 3.57Å; W3603-H3816 AromaticContact NE1-CE1 3.36Å; W3603-H3816 PolarHBondContact NE1-CE1 3.41Å; W3603-H3816 AromaticContact NE1-NE2 3.43Å; W3603-H3816 PolarHBondContact NE1-NE2 2.86Å; W3603-H3816 PolarHBondContact O-CE1 2.94Å; W3603-H3816 PolarHBondContact O-ND1 2.82Å; M3604-H3816 VanDerWaalsContact C-ND1 3.29Å; M3604-H3816 WeakPolarHBondContact CA-ND1 3.42Å; E3605-H3816 VanDerWaalsContact C-CD2 3.45Å; E3605-H3816 PolarHBondContact N-ND1 2.74Å; E3605-H3816 PolarHBondContact O-NE2 2.8Å; D3606-H3816 PolarHBondContact N-CD2 2.95Å; D3606-H3816 IonicContact OD1-CD2 3.16Å; D3643-H3816 IonicContact OD1-NE2 2.69Å; D3643-H3816 IonicContact OD2-CD2 3.41Å; D3643-H3816 IonicContact OD2-CE1 3.63Å; D3643-H3816 IonicContact OD2-NE2 2.92Å; D3643-H3816 PolarHBondContact OD2-NE2 3.17Å; S3814-H3816 PolarHBondContact O-CD2 3.16Å | ||
| 3817 | G | 72.3 | Confident | 79.3 | Confident | 14.3333 Ų | 14.3333 | 43.3 Ų | 43.3 | 15% | 0.148 | 25% | 0.248 | C | C | . | . | trans | -77.7 | 131.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | D3815 A3823 C3824 | D3815-G3817 PolarHBondContact OD1-N 3.19Å; G3817-A3823 WeakPolarHBondContact O-CA 3.34Å; G3817-C3824 VanDerWaalsContact C-SG 3.54Å; G3817-C3824 PolarHBondContact O-N 2.83Å | ||
| 3818 | V | 64.5 | Low | 79 | Confident | 124 Ų | 124 | 43.6 Ų | 43.6 | 75% | 0.752 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 114.1 | 169.4 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | Y3822 C3824 | V3818-Y3822 CarbonylContact C-O 3.53Å; V3818-Y3822 WeakPolarHBondContact CA-O 3.34Å; V3818-C3824 VanDerWaalsContact C-SG 3.52Å |
| 3819 | C | 65.6 | Low | 78.9 | Confident | 62.6667 Ų | 62.6667 | 43.5 Ų | 43.5 | 42% | 0.423 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.1 | 177 | -79.6 | 0 | 0 | 0 | 0 | 109.5 | S3821 Y3822 C3824 | C3819-S3821 VanDerWaalsContact C-N 3.29Å; C3819-S3821 PolarHBondContact O-N 3.09Å; C3819-S3821 VanDerWaalsContact O-N 3.14Å; C3819-Y3822 VanDerWaalsContact CB-O 3.23Å; C3819-Y3822 WeakPolarHBondContact CB-O 3.35Å; C3819-Y3822 PolarHBondContact N-O 2.94Å; C3819-Y3822 PolarHBondContact O-N 3Å; C3819-C3824 VanDerWaalsContact CA-SG 3.54Å; C3819-C3824 HydrophobicContact CB-CB 4.11Å; C3819-C3824 WeakPolarHBondContact CB-SG 3.43Å; C3819-C3824 PolarHBondContact N-SG 3.08Å; C3819-C3824 VanDerWaalsContact N-SG 3.43Å; C3819-C3824 WeakPolarHBondContact SG-CA 3.37Å; C3819-C3824 WeakPolarHBondContact SG-CB 3.21Å; C3819-C3824 CovalentContact SG-SG 2.04Å; C3819-C3824 PolarHBondContact SG-SG 3.13Å |
| 3820 | S | 58.7 | Low | 78.8 | Confident | 126.333 Ų | 126.333 | 43.3 Ų | 43.3 | 88% | 0.883 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 15.9 | 31.8 | -179 | -57.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 3821 | S | 60.7 | Low | 78.8 | Confident | 98 Ų | 98 | 43.6 Ų | 43.6 | 69% | 0.685 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 113.8 | -10.1 | -179.3 | 70.2 | 0 | 0 | 0 | 0 | 117.7 | C3819 | C3819-S3821 VanDerWaalsContact C-N 3.29Å; C3819-S3821 PolarHBondContact O-N 3.09Å; C3819-S3821 VanDerWaalsContact O-N 3.14Å |
| 3822 | Y | 60.3 | Low | 78.9 | Confident | 169.667 Ų | 169.667 | 44 Ų | 44 | 67% | 0.665 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 169.1 | 176.1 | -62 | -80.4 | 0 | 0 | 0 | 111.3 | F3676 V3818 C3819 | F3676-Y3822 HydrophobicContact CE2-CD1 4.26Å; F3676-Y3822 AromaticContact CZ-CD1 3.93Å; F3676-Y3822 HydrophobicContact CZ-CD1 3.93Å; V3818-Y3822 CarbonylContact C-O 3.53Å; V3818-Y3822 WeakPolarHBondContact CA-O 3.34Å; C3819-Y3822 VanDerWaalsContact CB-O 3.23Å; C3819-Y3822 WeakPolarHBondContact CB-O 3.35Å; C3819-Y3822 PolarHBondContact N-O 2.94Å; C3819-Y3822 PolarHBondContact O-N 3Å |
| 3823 | A | 59.3 | Low | 79.2 | Confident | 20.3333 Ų | 20.3333 | 43.8 Ų | 43.8 | 17% | 0.168 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 141.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | F3676 D3677 G3817 L3825 | F3676-A3823 HydrophobicContact CE2-CB 4Å; F3676-A3823 HydrophobicContact CZ-CB 4.27Å; D3677-A3823 HydrophobicContact CB-CB 3.51Å; G3817-A3823 WeakPolarHBondContact O-CA 3.34Å; A3823-L3825 HydrophobicContact CB-CD2 4.31Å; A3823-L3825 PolarHBondContact O-N 2.84Å |
| 3824 | C | 71.8 | Confident | 79.5 | Confident | 32.6667 Ų | 32.6667 | 43.7 Ų | 43.7 | 22% | 0.221 | 25% | 0.249 | C | C | . | . | trans | -72.7 | -11.2 | 179.8 | -65.3 | 0 | 0 | 0 | 0 | 113.6 | G3817 V3818 C3819 K3826 | G3817-C3824 VanDerWaalsContact C-SG 3.54Å; G3817-C3824 PolarHBondContact O-N 2.83Å; V3818-C3824 VanDerWaalsContact C-SG 3.52Å; C3819-C3824 VanDerWaalsContact CA-SG 3.54Å; C3819-C3824 HydrophobicContact CB-CB 4.11Å; C3819-C3824 WeakPolarHBondContact CB-SG 3.43Å; C3819-C3824 PolarHBondContact N-SG 3.08Å; C3819-C3824 VanDerWaalsContact N-SG 3.43Å; C3819-C3824 WeakPolarHBondContact SG-CA 3.37Å; C3819-C3824 WeakPolarHBondContact SG-CB 3.21Å; C3819-C3824 CovalentContact SG-SG 2.04Å; C3819-C3824 PolarHBondContact SG-SG 3.13Å; C3824-K3826 HydrophobicContact CB-CB 4.19Å; C3824-K3826 HydrophobicContact CB-CD 4.35Å; C3824-K3826 HydrophobicContact CB-CG 4Å; C3824-K3826 PolarHBondContact O-N 2.8Å | ||
| 3825 | L | 74 | Confident | 79.8 | Confident | 109.333 Ų | 109.333 | 43.7 Ų | 43.7 | 57% | 0.572 | 25% | 0.249 | S | C | * | . | trans | 57.6 | 37.5 | -169.9 | -54.6 | 177.3 | 0 | 0 | 0 | 111.6 | F3676 D3815 A3823 | F3676-L3825 HydrophobicContact CD2-CD2 4.08Å; F3676-L3825 HydrophobicContact CE2-CD2 3.96Å; D3815-L3825 WeakPolarHBondContact OD2-CA 3.1Å; D3815-L3825 PolarHBondContact OD2-N 3.15Å; A3823-L3825 HydrophobicContact CB-CD2 4.31Å; A3823-L3825 PolarHBondContact O-N 2.84Å | ||
| 3826 | K | 82 | Confident | 80.2 | Confident | 74 Ų | 74 | 43.7 Ų | 43.7 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | trans | -111.8 | 94.7 | -177.5 | -72.5 | -165.7 | 176 | -157 | 0 | 111 | R3529 L3788 E3789 D3815 C3824 | R3529-K3826 PolarHBondContact NH2-O 2.95Å; L3788-K3826 HydrophobicContact CB-CB 4.3Å; L3788-K3826 HydrophobicContact CB-CG 4.45Å; L3788-K3826 CarbonylContact O-C 3.44Å; L3788-K3826 VanDerWaalsContact O-CA 3.25Å; L3788-K3826 WeakPolarHBondContact O-CA 3.42Å; E3789-K3826 IonicContact OE1-NZ 2.89Å; E3789-K3826 PolarHBondContact OE1-NZ 3.02Å; D3815-K3826 VanDerWaalsContact OD1-O 3.08Å; D3815-K3826 PolarHBondContact OD2-N 3.19Å; D3815-K3826 VanDerWaalsContact OD2-N 3.13Å; C3824-K3826 HydrophobicContact CB-CB 4.19Å; C3824-K3826 HydrophobicContact CB-CD 4.35Å; C3824-K3826 HydrophobicContact CB-CG 4Å; C3824-K3826 PolarHBondContact O-N 2.8Å | ||
| 3827 | R | 86.1 | Confident | 80.8 | Confident | 34 Ų | 34 | 44.9 Ų | 44.9 | 13% | 0.128 | 25% | 0.252 | C | S | . | . | trans | -108.7 | 129.3 | -178 | -66.3 | 180 | 66.1 | -173.3 | 0.3 | 110.6 | L3788 N3811 G3812 P3813 D3815 S3829 | L3788-R3827 CarbonylContact C-O 3.51Å; L3788-R3827 WeakPolarHBondContact CA-O 3.44Å; L3788-R3827 PolarHBondContact O-N 3.16Å; L3788-R3827 VanDerWaalsContact O-N 3.1Å; N3811-R3827 PolarHBondContact O-NH2 3Å; N3811-R3827 VanDerWaalsContact O-NH2 3.12Å; N3811-R3827 PolarHBondContact OD1-NH1 2.03Å; N3811-R3827 PolarHBondContact OD1-NH2 2.95Å; G3812-R3827 PolarHBondContact O-NH2 3.12Å; G3812-R3827 VanDerWaalsContact O-NH2 3.12Å; P3813-R3827 VanDerWaalsContact O-CZ 3.27Å; P3813-R3827 PolarHBondContact O-NE 3.35Å; P3813-R3827 PolarHBondContact O-NH2 3.12Å; D3815-R3827 HydrophobicContact CB-CG 3.82Å; R3827-S3829 PolarHBondContact O-N 2.97Å | ||
| 3828 | M | 88.8 | Confident | 81.9 | Confident | 6 Ų | 6 | 48.6 Ų | 48.6 | 3% | 0.03 | 27% | 0.266 | C | S | . | . | trans | -64.1 | 122.7 | 177.7 | -176.8 | 173.3 | 68.4 | 0 | 0 | 111.5 | G3528 D3606 F3607 L3788 P3813 T3830 | G3528-M3828 VanDerWaalsContact C-SD 3.52Å; D3606-M3828 HydrophobicContact CB-CE 3.76Å; D3606-M3828 HydrophobicContact CB-SD 4.07Å; D3606-M3828 WeakPolarHBondContact OD1-CB 3.33Å; F3607-M3828 HydrophobicContact CD1-CE 3.72Å; F3607-M3828 HydrophobicContact CD2-CE 4.08Å; F3607-M3828 HydrophobicContact CE1-CE 3.45Å; F3607-M3828 VanDerWaalsContact CE1-CE 3.45Å; F3607-M3828 HydrophobicContact CE2-CE 3.81Å; F3607-M3828 HydrophobicContact CG-CE 4.05Å; F3607-M3828 HydrophobicContact CZ-CE 3.51Å; F3607-M3828 VanDerWaalsContact CZ-CE 3.49Å; L3788-M3828 HydrophobicContact CD2-CB 4.28Å; P3813-M3828 VanDerWaalsContact CD-O 3.24Å; P3813-M3828 WeakPolarHBondContact CD-O 3.47Å; P3813-M3828 HydrophobicContact CG-CB 3.93Å; P3813-M3828 HydrophobicContact CG-CE 4.27Å; P3813-M3828 WeakPolarHBondContact CG-O 3.3Å; M3828-T3830 WeakPolarHBondContact CG-OG1 3.38Å; M3828-T3830 PolarHBondContact O-N 3.27Å | ||
| 3829 | S | 92.4 | Very high | 83.4 | Confident | 4.33333 Ų | 4.33333 | 45.7 Ų | 45.7 | 3% | 0.03 | 24% | 0.243 | C | C | . | . | trans | -80.6 | 52.7 | 174.5 | -68.6 | 0 | 0 | 0 | 0 | 112.8 | S3782 A3787 R3790 R3827 | S3782-S3829 PolarHBondContact N-O 3.11Å; A3787-S3829 WeakPolarHBondContact O-CB 3.29Å; A3787-S3829 PolarHBondContact O-N 3.01Å; A3787-S3829 PolarHBondContact O-OG 2.76Å; R3790-S3829 PolarHBondContact O-OG 3.19Å; R3827-S3829 PolarHBondContact O-N 2.97Å | ||
| 3830 | T | 94.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 123 | 171.9 | -54.7 | 0 | 0 | 0 | 0 | 108.7 | F3607 I3780 E3781 P3813 M3828 | F3607-T3830 HydrophobicContact CE2-CG2 3.77Å; F3607-T3830 HydrophobicContact CZ-CG2 3.7Å; F3607-T3830 WeakPolarHBondContact CZ-O 3.34Å; I3780-T3830 CarbonylContact O-C 3.55Å; I3780-T3830 WeakPolarHBondContact O-CA 3.22Å; E3781-T3830 HydrophobicContact CB-CG2 4.15Å; E3781-T3830 HydrophobicContact CG-CG2 4.35Å; P3813-T3830 VanDerWaalsContact CD-O 3.25Å; P3813-T3830 WeakPolarHBondContact CD-O 3.32Å; M3828-T3830 WeakPolarHBondContact CG-OG1 3.38Å; M3828-T3830 PolarHBondContact O-N 3.27Å |
| 3831 | F | 95.1 | Very high | 86.7 | Confident | 6.66667 Ų | 6.66667 | 38.6 Ų | 38.6 | 3% | 0.029 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 146.1 | -171.9 | -53.4 | -89.8 | 0 | 0 | 0 | 110.7 | I3780 L3792 I3795 I3810 G3812 | I3780-F3831 HydrophobicContact CB-CB 4.27Å; I3780-F3831 PolarHBondContact N-O 3.07Å; I3780-F3831 PolarHBondContact O-N 2.75Å; L3792-F3831 HydrophobicContact CB-CE2 4.16Å; L3792-F3831 HydrophobicContact CB-CZ 4.02Å; L3792-F3831 HydrophobicContact CD1-CE2 4.14Å; I3795-F3831 HydrophobicContact CD1-CB 4.19Å; I3795-F3831 HydrophobicContact CD1-CD1 3.92Å; I3795-F3831 HydrophobicContact CD1-CD2 3.43Å; I3795-F3831 VanDerWaalsContact CD1-CD2 3.43Å; I3795-F3831 HydrophobicContact CD1-CE1 4.18Å; I3795-F3831 HydrophobicContact CD1-CE2 3.71Å; I3795-F3831 HydrophobicContact CD1-CG 3.55Å; I3795-F3831 HydrophobicContact CD1-CZ 4.08Å; I3795-F3831 HydrophobicContact CG1-CD1 4.42Å; I3795-F3831 HydrophobicContact CG1-CE1 4.42Å; I3795-F3831 HydrophobicContact CG1-CG 4.48Å; I3810-F3831 HydrophobicContact CG2-CB 4.07Å; I3810-F3831 HydrophobicContact CG2-CD1 4.05Å; G3812-F3831 VanDerWaalsContact CA-CD1 3.44Å; G3812-F3831 VanDerWaalsContact CA-CE1 3.48Å |
| 3832 | M | 94.1 | Very high | 88.4 | Confident | 8.33333 Ų | 8.33333 | 34.5 Ų | 34.5 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 124.2 | 173.8 | -64.7 | -169.1 | 176.6 | 0 | 0 | 109.8 | F3607 G3644 F3646 K3689 I3777 L3779 | F3607-M3832 HydrophobicContact CD2-CE 3.56Å; F3607-M3832 HydrophobicContact CE2-CE 3.57Å; F3607-M3832 HydrophobicContact CG-CE 4.13Å; F3607-M3832 HydrophobicContact CZ-CE 4.1Å; F3607-M3832 HydrophobicContact CZ-CG 4.45Å; G3644-M3832 WeakPolarHBondContact CA-SD 3.36Å; F3646-M3832 HydrophobicContact CD1-CE 4.32Å; F3646-M3832 HydrophobicContact CD2-CE 4.2Å; F3646-M3832 HydrophobicContact CE1-CE 3.8Å; F3646-M3832 HydrophobicContact CE2-CE 3.67Å; F3646-M3832 HydrophobicContact CG-CE 4.46Å; F3646-M3832 HydrophobicContact CZ-CE 3.43Å; F3646-M3832 VanDerWaalsContact CZ-CE 3.43Å; K3689-M3832 HydrophobicContact CB-CB 4.24Å; K3689-M3832 WeakPolarHBondContact CD-O 3.42Å; K3689-M3832 HydrophobicContact CG-CB 4.44Å; I3777-M3832 HydrophobicContact CG2-CB 4.11Å; I3777-M3832 HydrophobicContact CG2-CG 4.19Å; I3777-M3832 HydrophobicContact CG2-SD 4.4Å; L3779-M3832 HydrophobicContact CD2-CE 4.02Å; L3779-M3832 HydrophobicContact CD2-CG 3.79Å; L3779-M3832 HydrophobicContact CD2-SD 4.48Å |
| 3833 | S | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 143.9 | 171.2 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | I3777 L3778 F3797 | I3777-S3833 CarbonylContact C-O 3.56Å; I3777-S3833 WeakPolarHBondContact CA-O 3.44Å; L3778-S3833 PolarHBondContact N-O 3.12Å; L3778-S3833 PolarHBondContact O-N 3.09Å; F3797-S3833 WeakPolarHBondContact CD1-OG 3.1Å; F3797-S3833 WeakPolarHBondContact CE1-OG 3.05Å; F3797-S3833 WeakPolarHBondContact CG-OG 3.37Å; F3797-S3833 WeakPolarHBondContact CZ-OG 3.33Å |
| 3834 | V | 94.8 | Very high | 91.9 | Very high | 2.33333 Ų | 2.33333 | 27.4 Ų | 27.4 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.6 | 173.7 | -175.3 | 0 | 0 | 0 | 0 | 109 | K3689 L3691 I3752 H3775 N3776 I3777 | K3689-V3834 HydrophobicContact CD-CG2 4.33Å; L3691-V3834 HydrophobicContact CD1-CG1 4.43Å; L3691-V3834 HydrophobicContact CD2-CG1 3.99Å; L3691-V3834 HydrophobicContact CD2-CG2 4.35Å; I3752-V3834 HydrophobicContact CD1-CB 4.35Å; I3752-V3834 HydrophobicContact CD1-CG1 4.46Å; I3752-V3834 HydrophobicContact CD1-CG2 3.99Å; I3752-V3834 HydrophobicContact CG1-CB 4.02Å; I3752-V3834 HydrophobicContact CG1-CG1 4.39Å; I3752-V3834 HydrophobicContact CG1-CG2 4.14Å; I3752-V3834 HydrophobicContact CG2-CB 4.19Å; I3752-V3834 HydrophobicContact CG2-CG1 3.73Å; H3775-V3834 HydrophobicContact CB-CG1 4.14Å; N3776-V3834 WeakPolarHBondContact O-CA 3.24Å; I3777-V3834 HydrophobicContact CD1-CG2 3.78Å |
| 3835 | V | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 168.8 | -179.1 | -64.3 | 0 | 0 | 0 | 0 | 110.7 | H3775 N3776 L3778 F3797 F3841 L3857 Y3864 I3866 | H3775-V3835 CarbonylContact C-O 3.43Å; H3775-V3835 VanDerWaalsContact CA-O 3.24Å; H3775-V3835 WeakPolarHBondContact CA-O 3.43Å; N3776-V3835 HydrophobicContact CB-CG2 4.41Å; N3776-V3835 PolarHBondContact N-O 2.92Å; N3776-V3835 WeakPolarHBondContact O-CG2 3.19Å; N3776-V3835 PolarHBondContact O-N 2.92Å; L3778-V3835 HydrophobicContact CB-CG1 3.89Å; L3778-V3835 HydrophobicContact CB-CG2 4.26Å; L3778-V3835 HydrophobicContact CD2-CG1 4.34Å; F3797-V3835 HydrophobicContact CE1-CG1 3.84Å; F3797-V3835 HydrophobicContact CZ-CG1 3.77Å; V3835-F3841 HydrophobicContact CB-CE2 3.81Å; V3835-F3841 HydrophobicContact CB-CZ 3.87Å; V3835-F3841 HydrophobicContact CG1-CD2 4.24Å; V3835-F3841 HydrophobicContact CG1-CE1 4.36Å; V3835-F3841 HydrophobicContact CG1-CE2 3.96Å; V3835-F3841 HydrophobicContact CG1-CZ 4.05Å; V3835-L3857 HydrophobicContact CG2-CD2 3.71Å; V3835-Y3864 HydrophobicContact CG2-CE1 4.49Å; V3835-Y3864 PolarHBondContact O-OH 2.88Å; V3835-I3866 HydrophobicContact CB-CD1 4.08Å; V3835-I3866 HydrophobicContact CB-CG2 4.25Å; V3835-I3866 HydrophobicContact CG1-CD1 3.78Å; V3835-I3866 HydrophobicContact CG2-CD1 4.14Å; V3835-I3866 HydrophobicContact CG2-CG2 4.32Å |
| 3836 | A | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 148.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | I3753 L3773 K3839 Y3864 I3866 | I3753-A3836 HydrophobicContact CB-CB 4.38Å; I3753-A3836 HydrophobicContact CD1-CB 4.08Å; I3753-A3836 HydrophobicContact CG2-CB 3.68Å; L3773-A3836 HydrophobicContact CB-CB 4.22Å; L3773-A3836 HydrophobicContact CD2-CB 4.29Å; L3773-A3836 WeakPolarHBondContact O-CB 3.33Å; A3836-K3839 HydrophobicContact CB-CG 3.9Å; A3836-K3839 WeakPolarHBondContact O-CB 3.45Å; A3836-K3839 PolarHBondContact O-N 2.86Å; A3836-Y3864 VanDerWaalsContact C-OH 3.28Å; A3836-Y3864 WeakPolarHBondContact CA-OH 3.34Å; A3836-I3866 WeakPolarHBondContact O-CG2 3.3Å |
| 3837 | R | 95.8 | Very high | 94.1 | Very high | 48.3333 Ų | 48.3333 | 22.2 Ų | 22.2 | 18% | 0.182 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 137.9 | -175 | -175.7 | -179.3 | -71.8 | -132.8 | 3.6 | 111.6 | L3773 D3774 K3839 D3861 D3863 Y3864 | L3773-R3837 PolarHBondContact O-N 2.99Å; L3773-R3837 VanDerWaalsContact O-N 3.09Å; D3774-R3837 HydrophobicContact CB-CB 4.04Å; D3774-R3837 PolarHBondContact O-N 3.08Å; D3774-R3837 IonicContact OD2-CZ 3.72Å; D3774-R3837 IonicContact OD2-NE 3.35Å; D3774-R3837 PolarHBondContact OD2-NE 3.15Å; D3774-R3837 IonicContact OD2-NH2 3.21Å; D3774-R3837 PolarHBondContact OD2-NH2 3.09Å; R3837-K3839 PolarHBondContact O-N 3.39Å; R3837-D3861 IonicContact CZ-OD2 3.86Å; R3837-D3861 IonicContact NH2-OD2 2.78Å; R3837-D3861 PolarHBondContact NH2-OD2 2.97Å; R3837-D3863 IonicContact CZ-OD1 3.25Å; R3837-D3863 IonicContact NH1-OD1 3.26Å; R3837-D3863 PolarHBondContact NH1-OD1 2.78Å; R3837-D3863 IonicContact NH1-OD2 3.09Å; R3837-D3863 PolarHBondContact NH1-OD2 2.86Å; R3837-D3863 IonicContact NH2-OD1 3.43Å; R3837-Y3864 HydrophobicContact CB-CD2 4.03Å; R3837-Y3864 HydrophobicContact CB-CE2 3.69Å; R3837-Y3864 HydrophobicContact CG-CD2 4.17Å; R3837-Y3864 HydrophobicContact CG-CE2 4.33Å; R3837-Y3864 HydrophobicContact CG-CG 4.48Å; R3837-Y3864 PolarHBondContact N-OH 3.12Å; R3837-Y3864 VanDerWaalsContact N-OH 3.16Å |
| 3838 | Q | 96.1 | Very high | 94.2 | Very high | 91.6667 Ų | 91.6667 | 20.9 Ų | 20.9 | 43% | 0.428 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 28.6 | 177 | -67.2 | 170.6 | 5.5 | 0 | 0 | 114.4 | A3865 V3915 I3916 | Q3838-A3865 WeakPolarHBondContact CA-O 3.46Å; Q3838-A3865 PolarHBondContact N-O 2.9Å; Q3838-V3915 HydrophobicContact CB-CG1 4.41Å; Q3838-I3916 HydrophobicContact CG-CG1 4.39Å |
| 3839 | K | 95.9 | Very high | 94.4 | Very high | 65 Ų | 65 | 20.7 Ų | 20.7 | 28% | 0.283 | 10% | 0.103 | S | C | . | . | trans | -106.3 | 159 | 174.6 | -56.5 | -54.7 | -178.7 | -174.6 | 0 | 111.7 | I3753 L3802 A3836 R3837 F3841 I3866 R3867 | I3753-K3839 HydrophobicContact CD1-CB 4.05Å; I3753-K3839 HydrophobicContact CD1-CD 4.41Å; I3753-K3839 HydrophobicContact CD1-CG 3.76Å; L3802-K3839 HydrophobicContact CD2-CD 4.39Å; A3836-K3839 HydrophobicContact CB-CG 3.9Å; A3836-K3839 WeakPolarHBondContact O-CB 3.45Å; A3836-K3839 PolarHBondContact O-N 2.86Å; R3837-K3839 PolarHBondContact O-N 3.39Å; K3839-F3841 HydrophobicContact CB-CD2 4.49Å; K3839-F3841 HydrophobicContact CB-CE2 3.69Å; K3839-F3841 HydrophobicContact CB-CZ 3.92Å; K3839-I3866 WeakPolarHBondContact O-CA 3.27Å; K3839-R3867 PolarHBondContact O-N 3.07Å; K3839-R3867 VanDerWaalsContact O-N 3.14Å | ||
| 3840 | N | 96.7 | Very high | 94.5 | Very high | 37 Ų | 37 | 20.4 Ų | 20.4 | 20% | 0.198 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 138.9 | 177.6 | -48.6 | -52.6 | 0 | 0 | 0 | 109.6 | T3799 D3800 R3867 | T3799-N3840 WeakPolarHBondContact CA-O 3.23Å; D3800-N3840 HydrophobicContact CB-CB 4.44Å; D3800-N3840 PolarHBondContact N-O 3.16Å; N3840-R3867 CarbonylContact C-O 3.56Å; N3840-R3867 WeakPolarHBondContact CA-O 3.43Å; N3840-R3867 HydrophobicContact CB-CB 4.34Å; N3840-R3867 VanDerWaalsContact CG-CZ 3.44Å; N3840-R3867 WeakPolarHBondContact OD1-CB 3.37Å |
| 3841 | F | 97.5 | Very high | 94.4 | Very high | 1.33333 Ų | 1.33333 | 20.7 Ų | 20.7 | 1% | 0.006 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 158.3 | -178.6 | -60.8 | -89 | 0 | 0 | 0 | 110.9 | I3753 F3797 A3798 T3799 V3835 K3839 I3866 R3867 L3868 G3869 | I3753-F3841 HydrophobicContact CD1-CE1 3.7Å; I3753-F3841 HydrophobicContact CD1-CZ 3.5Å; I3753-F3841 VanDerWaalsContact CD1-CZ 3.49Å; I3753-F3841 HydrophobicContact CG1-CE1 4.21Å; I3753-F3841 HydrophobicContact CG1-CZ 4.35Å; I3753-F3841 HydrophobicContact CG2-CZ 4.43Å; F3797-F3841 HydrophobicContact CD1-CD1 4.06Å; F3797-F3841 HydrophobicContact CE1-CB 3.86Å; F3797-F3841 AromaticContact CE1-CD1 3.33Å; F3797-F3841 HydrophobicContact CE1-CD1 3.33Å; F3797-F3841 HydrophobicContact CE1-CD2 4.49Å; F3797-F3841 AromaticContact CE1-CE1 3.96Å; F3797-F3841 HydrophobicContact CE1-CE1 3.96Å; F3797-F3841 AromaticContact CE1-CG 3.66Å; F3797-F3841 HydrophobicContact CE1-CG 3.66Å; F3797-F3841 HydrophobicContact CE2-CB 4.47Å; F3797-F3841 HydrophobicContact CZ-CB 3.75Å; F3797-F3841 HydrophobicContact CZ-CD1 4.04Å; F3797-F3841 AromaticContact CZ-CG 3.88Å; F3797-F3841 HydrophobicContact CZ-CG 3.88Å; A3798-F3841 CarbonylContact O-C 3.49Å; A3798-F3841 WeakPolarHBondContact O-CA 3.37Å; A3798-F3841 WeakPolarHBondContact O-CB 3.17Å; T3799-F3841 HydrophobicContact CG2-CD1 4.02Å; T3799-F3841 HydrophobicContact CG2-CE1 3.72Å; T3799-F3841 HydrophobicContact CG2-CZ 4.48Å; V3835-F3841 HydrophobicContact CB-CE2 3.81Å; V3835-F3841 HydrophobicContact CB-CZ 3.87Å; V3835-F3841 HydrophobicContact CG1-CD2 4.24Å; V3835-F3841 HydrophobicContact CG1-CE1 4.36Å; V3835-F3841 HydrophobicContact CG1-CE2 3.96Å; V3835-F3841 HydrophobicContact CG1-CZ 4.05Å; K3839-F3841 HydrophobicContact CB-CD2 4.49Å; K3839-F3841 HydrophobicContact CB-CE2 3.69Å; K3839-F3841 HydrophobicContact CB-CZ 3.92Å; F3841-I3866 HydrophobicContact CD2-CB 4.3Å; F3841-I3866 HydrophobicContact CD2-CD1 4.34Å; F3841-I3866 HydrophobicContact CE2-CB 4.31Å; F3841-I3866 HydrophobicContact CE2-CG2 4.08Å; F3841-R3867 PolarHBondContact N-O 2.96Å; F3841-L3868 HydrophobicContact CB-CD1 3.86Å; F3841-L3868 CarbonylContact O-C 3.5Å; F3841-L3868 WeakPolarHBondContact O-CA 3.28Å; F3841-G3869 PolarHBondContact O-N 3.09Å |
| 3842 | V | 96.8 | Very high | 94.4 | Very high | 12.3333 Ų | 12.3333 | 22.4 Ų | 22.4 | 8% | 0.075 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 146.8 | 170.2 | -67.5 | 0 | 0 | 0 | 0 | 110.1 | M3731 A3798 D3800 Y3844 G3869 M3931 | M3731-V3842 HydrophobicContact CE-CG2 4.45Å; A3798-V3842 HydrophobicContact CB-CG2 4.07Å; A3798-V3842 PolarHBondContact N-O 2.79Å; A3798-V3842 PolarHBondContact O-N 2.96Å; D3800-V3842 HydrophobicContact CB-CG1 4.06Å; V3842-Y3844 HydrophobicContact CB-CE2 4.24Å; V3842-Y3844 HydrophobicContact CG2-CE2 4.33Å; V3842-G3869 CarbonylContact C-O 3.55Å; V3842-G3869 VanDerWaalsContact CA-O 3.24Å; V3842-G3869 WeakPolarHBondContact CA-O 3.27Å; V3842-M3931 HydrophobicContact CB-CE 4.39Å; V3842-M3931 HydrophobicContact CG1-CE 4.18Å |
| 3843 | M | 97 | Very high | 94.5 | Very high | 0.666667 Ų | 0.666667 | 22 Ų | 22 | 0% | 0.003 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 128.4 | -175.9 | -177.9 | 176.9 | 69.8 | 0 | 0 | 111.1 | I3780 I3795 A3796 F3797 M3845 L3853 L3868 G3869 I3870 D3871 | I3780-M3843 HydrophobicContact CD1-SD 3.65Å; I3780-M3843 HydrophobicContact CG1-SD 4.25Å; I3780-M3843 HydrophobicContact CG2-CE 4.15Å; I3780-M3843 HydrophobicContact CG2-SD 3.93Å; I3795-M3843 HydrophobicContact CD1-SD 4.44Å; I3795-M3843 HydrophobicContact CG2-CG 3.35Å; I3795-M3843 HydrophobicContact CG2-SD 3.78Å; A3796-M3843 WeakPolarHBondContact O-CA 3.36Å; F3797-M3843 HydrophobicContact CD2-CB 4.04Å; F3797-M3843 HydrophobicContact CD2-CG 4.15Å; F3797-M3843 HydrophobicContact CD2-SD 4.33Å; F3797-M3843 HydrophobicContact CE2-CB 4.42Å; M3843-M3845 HydrophobicContact CE-CE 3.47Å; M3843-M3845 VanDerWaalsContact CE-CE 3.43Å; M3843-M3845 HydrophobicContact SD-CE 4.21Å; M3843-L3853 HydrophobicContact CE-CD2 4.18Å; M3843-L3868 HydrophobicContact CB-CD1 4.04Å; M3843-L3868 HydrophobicContact CE-CD2 4.39Å; M3843-G3869 PolarHBondContact N-O 2.74Å; M3843-I3870 HydrophobicContact CE-CB 4.32Å; M3843-I3870 HydrophobicContact CE-CD1 4.09Å; M3843-I3870 HydrophobicContact CE-CG1 3.95Å; M3843-I3870 HydrophobicContact CE-CG2 3.56Å; M3843-D3871 PolarHBondContact O-N 3.05Å; M3843-D3871 VanDerWaalsContact O-N 3.07Å |
| 3844 | Y | 96.1 | Very high | 94.7 | Very high | 41.3333 Ų | 41.3333 | 23 Ų | 23 | 16% | 0.162 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.2 | 174.8 | -69.5 | -103.7 | 0 | 0 | 0 | 109.4 | R3730 M3731 I3795 A3796 V3842 D3871 M3931 | R3730-Y3844 HydrophobicContact CB-CD1 4.28Å; M3731-Y3844 HydrophobicContact CB-CD1 3.77Å; M3731-Y3844 HydrophobicContact CB-CD2 3.89Å; M3731-Y3844 HydrophobicContact CB-CE1 4.15Å; M3731-Y3844 HydrophobicContact CB-CE2 4.29Å; M3731-Y3844 HydrophobicContact CB-CG 3.63Å; M3731-Y3844 HydrophobicContact CE-CD2 4.34Å; M3731-Y3844 HydrophobicContact CG-CD1 4.39Å; M3731-Y3844 HydrophobicContact CG-CD2 3.64Å; M3731-Y3844 HydrophobicContact CG-CE2 3.87Å; M3731-Y3844 HydrophobicContact CG-CG 3.94Å; M3731-Y3844 HydrophobicContact SD-CD2 3.67Å; M3731-Y3844 HydrophobicContact SD-CE2 4.33Å; M3731-Y3844 HydrophobicContact SD-CG 4.1Å; I3795-Y3844 CarbonylContact C-O 3.56Å; I3795-Y3844 WeakPolarHBondContact CA-O 3.32Å; A3796-Y3844 PolarHBondContact N-O 3.31Å; A3796-Y3844 PolarHBondContact O-N 3.05Å; V3842-Y3844 HydrophobicContact CB-CE2 4.24Å; V3842-Y3844 HydrophobicContact CG2-CE2 4.33Å; Y3844-D3871 HydrophobicContact CD1-CB 3.4Å; Y3844-D3871 VanDerWaalsContact CD1-CB 3.42Å; Y3844-D3871 WeakPolarHBondContact CD1-OD2 3.22Å; Y3844-D3871 HydrophobicContact CE1-CB 3.55Å; Y3844-D3871 HydrophobicContact CG-CB 4.01Å; Y3844-M3931 HydrophobicContact CE1-SD 4.34Å; Y3844-M3931 HydrophobicContact CE2-CE 4.34Å; Y3844-M3931 PolarHBondContact OH-SD 2.71Å |
| 3845 | M | 94.1 | Very high | 94.8 | Very high | 6.33333 Ų | 6.33333 | 22.9 Ų | 22.9 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | trans | -97 | 153.1 | 175.9 | -59.1 | -176 | -173.1 | 0 | 0 | 110.1 | I3780 L3792 I3795 M3843 S3847 P3849 P3850 L3853 | I3780-M3845 HydrophobicContact CG2-CE 4.43Å; L3792-M3845 HydrophobicContact CB-SD 4.17Å; L3792-M3845 HydrophobicContact CD1-SD 4.08Å; L3792-M3845 HydrophobicContact CD2-SD 4.16Å; L3792-M3845 HydrophobicContact CG-SD 4.36Å; I3795-M3845 HydrophobicContact CD1-CE 4.43Å; I3795-M3845 HydrophobicContact CD1-CG 4.36Å; I3795-M3845 HydrophobicContact CG1-CG 4.22Å; M3843-M3845 HydrophobicContact CE-CE 3.47Å; M3843-M3845 VanDerWaalsContact CE-CE 3.43Å; M3843-M3845 HydrophobicContact SD-CE 4.21Å; M3845-S3847 VanDerWaalsContact C-N 3.33Å; M3845-P3849 HydrophobicContact SD-CB 4.31Å; M3845-P3850 VanDerWaalsContact SD-CD 3.51Å; M3845-P3850 WeakPolarHBondContact SD-CD 3.33Å; M3845-P3850 HydrophobicContact SD-CG 4.5Å; M3845-L3853 HydrophobicContact CE-CD1 4.16Å; M3845-L3853 HydrophobicContact CE-CD2 4.39Å | ||
| 3846 | T | 90.9 | Very high | 94.9 | Very high | 71.6667 Ų | 71.6667 | 23.8 Ų | 23.8 | 44% | 0.44 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -75.8 | -26.8 | 177.9 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | L3792 P3794 | L3792-T3846 PolarHBondContact O-N 3.1Å; L3792-T3846 VanDerWaalsContact O-N 3.1Å; P3794-T3846 VanDerWaalsContact CD-OG1 3.3Å; P3794-T3846 WeakPolarHBondContact CD-OG1 3.36Å; P3794-T3846 PolarHBondContact O-N 3.33Å; P3794-T3846 PolarHBondContact O-OG1 3.06Å |
| 3847 | S | 88 | Confident | 94.9 | Very high | 27.3333 Ų | 27.3333 | 23.9 Ų | 23.9 | 19% | 0.191 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -116.2 | 178.6 | 178.9 | -170.8 | 0 | 0 | 0 | 0 | 111.3 | R3791 M3845 P3849 | R3791-S3847 VanDerWaalsContact O-CB 3.27Å; R3791-S3847 WeakPolarHBondContact O-CB 3.25Å; M3845-S3847 VanDerWaalsContact C-N 3.33Å; S3847-P3849 WeakPolarHBondContact O-CD 3.47Å |
| 3848 | T | 88.7 | Confident | 94.7 | Very high | 7.33333 Ų | 7.33333 | 21.8 Ų | 21.8 | 5% | 0.045 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -52.7 | 126.2 | 175.3 | -49.7 | 0 | 0 | 0 | 0 | 110.4 | R3790 L3792 F3873 T3874 W4078 | R3790-T3848 PolarHBondContact NH1-O 3.09Å; L3792-T3848 VanDerWaalsContact CD2-O 3.26Å; L3792-T3848 WeakPolarHBondContact CD2-O 3.32Å; T3848-F3873 HydrophobicContact CG2-CE2 4.46Å; T3848-T3874 HydrophobicContact CG2-CG2 4.15Å; T3848-T3874 WeakPolarHBondContact CG2-OG1 3.34Å; T3848-W4078 HydrophobicContact CG2-CH2 3.52Å; T3848-W4078 HydrophobicContact CG2-CZ2 4.31Å; T3848-W4078 HydrophobicContact CG2-CZ3 4.19Å |
| 3849 | P | 92.7 | Very high | 94.5 | Very high | 0.666667 Ų | 0.666667 | 19.7 Ų | 19.7 | 0% | 0.004 | 10% | 0.099 | C | C | . | . | P | Polyproline II helix | trans | -58.2 | 153 | 178.6 | -28 | 34.3 | 0 | 0 | 0 | 113.5 | R3790 M3845 S3847 D3871 Y3872 F3873 | R3790-P3849 VanDerWaalsContact NH1-C 3.32Å; R3790-P3849 PolarHBondContact NH1-O 3.1Å; M3845-P3849 HydrophobicContact SD-CB 4.31Å; S3847-P3849 WeakPolarHBondContact O-CD 3.47Å; P3849-D3871 VanDerWaalsContact CG-O 3.23Å; P3849-D3871 WeakPolarHBondContact CG-O 3.43Å; P3849-Y3872 HydrophobicContact CB-CD1 3.73Å; P3849-Y3872 HydrophobicContact CB-CE1 3.58Å; P3849-Y3872 HydrophobicContact CB-CG 4.46Å; P3849-Y3872 HydrophobicContact CG-CD1 4.24Å; P3849-F3873 VanDerWaalsContact CD-CE1 3.46Å; P3849-F3873 HydrophobicContact CG-CD1 4.28Å; P3849-F3873 HydrophobicContact CG-CE1 4.08Å |
| 3850 | P | 93.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.089 | C | C | . | . | P | Polyproline II helix | trans | -59.9 | 140.1 | 174 | -27.3 | 37.3 | 0 | 0 | 0 | 112.6 | S3782 D3784 L3792 M3845 E3852 L3853 Y3872 | S3782-P3850 WeakPolarHBondContact OG-CG 3.42Å; D3784-P3850 VanDerWaalsContact OD2-CA 3.26Å; D3784-P3850 WeakPolarHBondContact OD2-CA 3.21Å; L3792-P3850 HydrophobicContact CD1-CG 3.48Å; L3792-P3850 VanDerWaalsContact CD1-CG 3.46Å; L3792-P3850 HydrophobicContact CD2-CG 4.42Å; M3845-P3850 VanDerWaalsContact SD-CD 3.51Å; M3845-P3850 WeakPolarHBondContact SD-CD 3.33Å; M3845-P3850 HydrophobicContact SD-CG 4.5Å; P3850-E3852 VanDerWaalsContact C-N 3.29Å; P3850-E3852 WeakPolarHBondContact CB-O 3.32Å; P3850-L3853 HydrophobicContact CB-CB 4.35Å; P3850-L3853 HydrophobicContact CB-CD1 4.38Å; P3850-L3853 HydrophobicContact CG-CD1 3.98Å; P3850-Y3872 VanDerWaalsContact O-CE1 3.3Å; P3850-Y3872 WeakPolarHBondContact O-CE1 3.29Å; P3850-Y3872 PolarHBondContact O-OH 3.28Å |
| 3851 | Q | 93.1 | Very high | 94.3 | Very high | 7.33333 Ų | 7.33333 | 18.5 Ų | 18.5 | 3% | 0.034 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -72.5 | -27.6 | 171 | -62.9 | -170.9 | 34.2 | 0 | 0 | 111.1 | D3784 K3945 L3946 P4071 P4073 W4078 | D3784-Q3851 PolarHBondContact OD1-N 2.97Å; D3784-Q3851 PolarHBondContact OD2-N 3.16Å; Q3851-K3945 CarbonylContact O-C 3.54Å; Q3851-K3945 VanDerWaalsContact O-CA 3.3Å; Q3851-K3945 WeakPolarHBondContact O-CA 3.19Å; Q3851-L3946 HydrophobicContact CB-CB 4.01Å; Q3851-L3946 HydrophobicContact CG-CB 4.24Å; Q3851-L3946 HydrophobicContact CG-CD2 4.22Å; Q3851-L3946 PolarHBondContact O-N 2.99Å; Q3851-P4071 PolarHBondContact NE2-O 3Å; Q3851-P4073 HydrophobicContact CB-CG 4.02Å; Q3851-P4073 VanDerWaalsContact CD-CD 3.42Å; Q3851-P4073 HydrophobicContact CG-CG 4.08Å; Q3851-W4078 HydrophobicContact CG-CH2 4.3Å |
| 3852 | E | 94.9 | Very high | 94.2 | Very high | 40.6667 Ų | 40.6667 | 24 Ų | 24 | 19% | 0.19 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 114.7 | 166.9 | -164.1 | 169.5 | 145.1 | 0 | 0 | 109.8 | M3783 D3784 P3850 T3943 I3944 K3945 | M3783-E3852 HydrophobicContact CB-CB 3.84Å; M3783-E3852 HydrophobicContact CB-CG 3.74Å; M3783-E3852 WeakPolarHBondContact CB-O 3.29Å; M3783-E3852 HydrophobicContact CG-CG 4.25Å; M3783-E3852 PolarHBondContact N-O 3.1Å; D3784-E3852 PolarHBondContact OD1-N 2.92Å; P3850-E3852 VanDerWaalsContact C-N 3.29Å; P3850-E3852 WeakPolarHBondContact CB-O 3.32Å; E3852-T3943 HydrophobicContact CG-CG2 3.89Å; E3852-I3944 WeakPolarHBondContact CA-O 3.41Å; E3852-K3945 IonicContact OE2-NZ 3.65Å |
| 3853 | L | 96.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 127.8 | -178.6 | -175.3 | 74.4 | 0 | 0 | 0 | 110 | I3780 E3781 M3843 M3845 P3850 L3855 I3870 Y3872 T3943 I3944 | I3780-L3853 HydrophobicContact CG2-CD1 3.89Å; E3781-L3853 WeakPolarHBondContact O-CA 3.46Å; E3781-L3853 WeakPolarHBondContact O-CD1 3.3Å; M3843-L3853 HydrophobicContact CE-CD2 4.18Å; M3845-L3853 HydrophobicContact CE-CD1 4.16Å; M3845-L3853 HydrophobicContact CE-CD2 4.39Å; P3850-L3853 HydrophobicContact CB-CB 4.35Å; P3850-L3853 HydrophobicContact CB-CD1 4.38Å; P3850-L3853 HydrophobicContact CG-CD1 3.98Å; L3853-L3855 HydrophobicContact CD2-CD1 4.46Å; L3853-L3855 HydrophobicContact CD2-CD2 4.03Å; L3853-L3855 HydrophobicContact CD2-CG 4.32Å; L3853-L3855 HydrophobicContact CG-CD2 4.21Å; L3853-L3855 HydrophobicContact CG-CG 4.4Å; L3853-I3870 HydrophobicContact CD2-CD1 3.97Å; L3853-Y3872 VanDerWaalsContact CB-OH 3.28Å; L3853-Y3872 WeakPolarHBondContact CB-OH 3.22Å; L3853-Y3872 HydrophobicContact CD2-CE2 4.44Å; L3853-Y3872 WeakPolarHBondContact CD2-OH 3.26Å; L3853-T3943 CarbonylContact O-C 3.56Å; L3853-T3943 WeakPolarHBondContact O-CA 3.32Å; L3853-I3944 HydrophobicContact CB-CB 4.39Å; L3853-I3944 HydrophobicContact CD2-CD1 4.22Å; L3853-I3944 PolarHBondContact N-O 3.15Å; L3853-I3944 PolarHBondContact O-N 2.94Å |
| 3854 | R | 97.3 | Very high | 94.2 | Very high | 20.3333 Ų | 20.3333 | 27.7 Ų | 27.7 | 8% | 0.077 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 129.7 | 176.4 | -173.9 | 168.4 | 73.7 | -179.5 | 4.8 | 110.7 | H3531 E3781 M3783 R3856 I3941 I3942 T4024 | H3531-R3854 VanDerWaalsContact O-CZ 3.32Å; H3531-R3854 PolarHBondContact O-NH1 3.17Å; H3531-R3854 PolarHBondContact O-NH2 2.97Å; E3781-R3854 HydrophobicContact CB-CB 4.3Å; E3781-R3854 PolarHBondContact N-O 2.9Å; E3781-R3854 PolarHBondContact O-N 2.89Å; E3781-R3854 IonicContact OE1-CZ 3.05Å; E3781-R3854 IonicContact OE1-NE 3.55Å; E3781-R3854 IonicContact OE1-NH2 3.03Å; E3781-R3854 PolarHBondContact OE1-NH2 3.12Å; E3781-R3854 IonicContact OE2-CZ 3.37Å; E3781-R3854 IonicContact OE2-NE 3.75Å; E3781-R3854 PolarHBondContact OE2-NE 3.18Å; E3781-R3854 IonicContact OE2-NH2 3.19Å; E3781-R3854 PolarHBondContact OE2-NH2 2.89Å; M3783-R3854 HydrophobicContact CG-CB 3.8Å; M3783-R3854 HydrophobicContact SD-CB 3.96Å; R3854-R3856 HydrophobicContact CG-CG 4.34Å; R3854-I3941 HydrophobicContact CG-CG2 3.8Å; R3854-I3942 CarbonylContact C-O 3.45Å; R3854-I3942 WeakPolarHBondContact CA-O 3.35Å; R3854-T4024 PolarHBondContact NH1-O 2.96Å |
| 3855 | L | 98.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 129.7 | -179 | -55.7 | 169 | 0 | 0 | 0 | 110 | L3778 L3779 I3780 L3853 L3868 I3870 V3934 I3936 I3942 I3944 | L3778-L3855 HydrophobicContact CD1-CB 4.44Å; L3779-L3855 WeakPolarHBondContact O-CA 3.39Å; I3780-L3855 HydrophobicContact CB-CD2 4.19Å; I3780-L3855 HydrophobicContact CG1-CD2 3.94Å; I3780-L3855 HydrophobicContact CG2-CD2 4.03Å; L3853-L3855 HydrophobicContact CD2-CD1 4.46Å; L3853-L3855 HydrophobicContact CD2-CD2 4.03Å; L3853-L3855 HydrophobicContact CD2-CG 4.32Å; L3853-L3855 HydrophobicContact CG-CD2 4.21Å; L3853-L3855 HydrophobicContact CG-CG 4.4Å; L3855-L3868 HydrophobicContact CD1-CD2 4.03Å; L3855-L3868 HydrophobicContact CD2-CD2 4.28Å; L3855-I3870 HydrophobicContact CD1-CD1 3.89Å; L3855-V3934 HydrophobicContact CD1-CG1 4.27Å; L3855-I3936 HydrophobicContact CB-CD1 4Å; L3855-I3936 HydrophobicContact CD1-CD1 4.01Å; L3855-I3942 HydrophobicContact CB-CB 4.23Å; L3855-I3942 PolarHBondContact N-O 3.06Å; L3855-I3942 PolarHBondContact O-N 3.14Å; L3855-I3942 VanDerWaalsContact O-N 3.08Å; L3855-I3944 HydrophobicContact CD1-CD1 3.78Å |
| 3856 | R | 96.7 | Very high | 94.4 | Very high | 20.3333 Ų | 20.3333 | 25.5 Ų | 25.5 | 8% | 0.077 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 145.7 | -176.2 | -71 | 172.3 | 11.2 | 88.2 | 2.6 | 112 | I3533 N3609 L3779 R3854 P3858 I3941 | I3533-R3856 VanDerWaalsContact CG2-NH1 3.28Å; N3609-R3856 PolarHBondContact O-NH2 2.97Å; L3779-R3856 HydrophobicContact CB-CB 4.47Å; L3779-R3856 VanDerWaalsContact CD1-NH2 3.35Å; L3779-R3856 PolarHBondContact N-O 3.05Å; L3779-R3856 PolarHBondContact O-N 3.08Å; L3779-R3856 VanDerWaalsContact O-N 3.17Å; R3854-R3856 HydrophobicContact CG-CG 4.34Å; R3856-P3858 WeakPolarHBondContact O-CD 3.37Å; R3856-I3941 HydrophobicContact CG-CB 4.34Å; R3856-I3941 HydrophobicContact CG-CG1 4.06Å; R3856-I3941 HydrophobicContact CG-CG2 4.1Å |
| 3857 | L | 96.4 | Very high | 94.8 | Very high | 0.666667 Ų | 0.666667 | 23.3 Ų | 23.3 | 0% | 0.003 | 13% | 0.127 | C | C | . | . | trans | -110.2 | 97 | 168.3 | -63.1 | 167.2 | 0 | 0 | 0 | 108.8 | I3777 L3778 V3835 A3860 Y3864 I3866 I3936 | I3777-L3857 WeakPolarHBondContact O-CD2 3.33Å; L3778-L3857 HydrophobicContact CB-CD2 3.98Å; L3778-L3857 HydrophobicContact CD1-CD2 4.04Å; L3778-L3857 HydrophobicContact CD1-CG 4.44Å; V3835-L3857 HydrophobicContact CG2-CD2 3.71Å; L3857-A3860 HydrophobicContact CB-CB 3.67Å; L3857-A3860 WeakPolarHBondContact O-CB 3.48Å; L3857-Y3864 HydrophobicContact CD1-CD1 3.77Å; L3857-Y3864 HydrophobicContact CD1-CE1 3.97Å; L3857-I3866 HydrophobicContact CD1-CG1 4.43Å; L3857-I3866 HydrophobicContact CD2-CD1 4.41Å; L3857-I3936 HydrophobicContact CD1-CB 4.33Å; L3857-I3936 HydrophobicContact CD1-CG2 3.77Å; L3857-I3936 HydrophobicContact CG-CG2 3.82Å | ||
| 3858 | P | 92.1 | Very high | 95.2 | Very high | 4.33333 Ų | 4.33333 | 22 Ų | 22 | 3% | 0.028 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 140 | 177.2 | -21.6 | 35 | 0 | 0 | 0 | 111.2 | N3776 I3777 L3779 R3856 A3860 | N3776-P3858 PolarHBondContact ND2-O 3.43Å; N3776-P3858 PolarHBondContact OD1-O 3.04Å; I3777-P3858 VanDerWaalsContact O-CD 3.24Å; I3777-P3858 WeakPolarHBondContact O-CD 3.34Å; L3779-P3858 HydrophobicContact CD1-CG 3.59Å; L3779-P3858 HydrophobicContact CG-CG 3.86Å; R3856-P3858 WeakPolarHBondContact O-CD 3.37Å; P3858-A3860 PolarHBondContact O-N 3.19Å |
| 3859 | Q | 91.6 | Very high | 95.7 | Very high | 48.3333 Ų | 48.3333 | 21.7 Ų | 21.7 | 23% | 0.226 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 21.8 | 173.3 | -64.8 | 68.5 | 64.4 | 0 | 0 | 114.4 | G3611 A3612 Y3614 Y3649 E3939 | G3611-Q3859 PolarHBondContact O-OE1 3.15Å; A3612-Q3859 HydrophobicContact CB-CG 4.07Å; Y3614-Q3859 WeakPolarHBondContact OH-CG 3.41Å; Y3649-Q3859 HydrophobicContact CE2-CB 4.41Å; Y3649-Q3859 HydrophobicContact CE2-CG 4.47Å; Q3859-E3939 WeakPolarHBondContact CA-OE1 3.41Å; Q3859-E3939 PolarHBondContact N-OE1 2.88Å |
| 3860 | A | 94.2 | Very high | 95.9 | Very high | 8 Ų | 8 | 21.7 Ų | 21.7 | 7% | 0.066 | 12% | 0.116 | C | C | . | . | trans | -79 | 136.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L3857 P3858 Y3864 | L3857-A3860 HydrophobicContact CB-CB 3.67Å; L3857-A3860 WeakPolarHBondContact O-CB 3.48Å; P3858-A3860 PolarHBondContact O-N 3.19Å; A3860-Y3864 HydrophobicContact CB-CD1 4.4Å; A3860-Y3864 HydrophobicContact CB-CG 4.29Å | ||
| 3861 | D | 94.2 | Very high | 96 | Very high | 69 Ų | 69 | 21.9 Ų | 21.9 | 37% | 0.369 | 12% | 0.117 | S | C | . | . | trans | -60 | 149.3 | 172.3 | -59.9 | -34.3 | 0 | 0 | 0 | 110.1 | R3837 D3863 Y3864 G3938 | R3837-D3861 IonicContact CZ-OD2 3.86Å; R3837-D3861 IonicContact NH2-OD2 2.78Å; R3837-D3861 PolarHBondContact NH2-OD2 2.97Å; D3861-D3863 WeakPolarHBondContact CB-OD1 3.45Å; D3861-D3863 PolarHBondContact O-N 2.82Å; D3861-Y3864 VanDerWaalsContact O-CB 3.24Å; D3861-Y3864 WeakPolarHBondContact O-CB 3.42Å; D3861-Y3864 PolarHBondContact O-N 2.89Å; D3861-G3938 WeakPolarHBondContact O-CA 3.36Å | ||
| 3862 | P | 95.2 | Very high | 96 | Very high | 116.667 Ų | 116.667 | 21.6 Ų | 21.6 | 76% | 0.758 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -24.4 | -176 | -27.9 | 35.3 | 0 | 0 | 0 | 115.6 | ||
| 3863 | D | 95 | Very high | 95.6 | Very high | 87.6667 Ų | 87.6667 | 20.2 Ų | 20.2 | 47% | 0.469 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -8.1 | 179 | 74.1 | -36.2 | 0 | 0 | 0 | 113.9 | R3837 D3861 A3865 | R3837-D3863 IonicContact CZ-OD1 3.25Å; R3837-D3863 IonicContact NH1-OD1 3.26Å; R3837-D3863 PolarHBondContact NH1-OD1 2.78Å; R3837-D3863 IonicContact NH1-OD2 3.09Å; R3837-D3863 PolarHBondContact NH1-OD2 2.86Å; R3837-D3863 IonicContact NH2-OD1 3.43Å; D3861-D3863 WeakPolarHBondContact CB-OD1 3.45Å; D3861-D3863 PolarHBondContact O-N 2.82Å; D3863-A3865 PolarHBondContact O-N 2.98Å |
| 3864 | Y | 97.5 | Very high | 95.2 | Very high | 2.33333 Ų | 2.33333 | 20.3 Ų | 20.3 | 1% | 0.009 | 11% | 0.11 | C | C | . | . | trans | -66.3 | 120.6 | 176.9 | -171.2 | -71.5 | 0 | 0 | 0 | 109.9 | D3774 N3776 V3835 A3836 R3837 L3857 A3860 D3861 I3866 K3937 G3938 | D3774-Y3864 HydrophobicContact CB-CE2 4.39Å; D3774-Y3864 WeakPolarHBondContact O-CE2 3.31Å; D3774-Y3864 PolarHBondContact O-OH 2.85Å; D3774-Y3864 VanDerWaalsContact O-OH 3.1Å; D3774-Y3864 WeakPolarHBondContact OD2-CD2 3.26Å; D3774-Y3864 WeakPolarHBondContact OD2-CE2 3.39Å; N3776-Y3864 HydrophobicContact CB-CE1 4.15Å; N3776-Y3864 HydrophobicContact CB-CE2 3.98Å; N3776-Y3864 WeakPolarHBondContact CB-OH 3.4Å; N3776-Y3864 PolarHBondContact N-OH 3.25Å; V3835-Y3864 HydrophobicContact CG2-CE1 4.49Å; V3835-Y3864 PolarHBondContact O-OH 2.88Å; A3836-Y3864 VanDerWaalsContact C-OH 3.28Å; A3836-Y3864 WeakPolarHBondContact CA-OH 3.34Å; R3837-Y3864 HydrophobicContact CB-CD2 4.03Å; R3837-Y3864 HydrophobicContact CB-CE2 3.69Å; R3837-Y3864 HydrophobicContact CG-CD2 4.17Å; R3837-Y3864 HydrophobicContact CG-CE2 4.33Å; R3837-Y3864 HydrophobicContact CG-CG 4.48Å; R3837-Y3864 PolarHBondContact N-OH 3.12Å; R3837-Y3864 VanDerWaalsContact N-OH 3.16Å; L3857-Y3864 HydrophobicContact CD1-CD1 3.77Å; L3857-Y3864 HydrophobicContact CD1-CE1 3.97Å; A3860-Y3864 HydrophobicContact CB-CD1 4.4Å; A3860-Y3864 HydrophobicContact CB-CG 4.29Å; D3861-Y3864 VanDerWaalsContact O-CB 3.24Å; D3861-Y3864 WeakPolarHBondContact O-CB 3.42Å; D3861-Y3864 PolarHBondContact O-N 2.89Å; Y3864-I3866 HydrophobicContact CE1-CG2 4.01Å; Y3864-K3937 CarbonylContact O-C 3.53Å; Y3864-K3937 WeakPolarHBondContact O-CA 3.35Å; Y3864-K3937 WeakPolarHBondContact O-CG 3.39Å; Y3864-G3938 PolarHBondContact O-N 3.02Å | ||
| 3865 | A | 98.1 | Very high | 94.5 | Very high | 1.66667 Ų | 1.66667 | 20.1 Ų | 20.1 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 147.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q3838 D3863 V3915 I3935 I3936 K3937 | Q3838-A3865 WeakPolarHBondContact CA-O 3.46Å; Q3838-A3865 PolarHBondContact N-O 2.9Å; D3863-A3865 PolarHBondContact O-N 2.98Å; A3865-V3915 HydrophobicContact CB-CG2 4.06Å; A3865-V3915 WeakPolarHBondContact CB-O 3.25Å; A3865-V3915 WeakPolarHBondContact O-CG2 3.3Å; A3865-I3935 HydrophobicContact CB-CG2 4.47Å; A3865-I3936 CarbonylContact C-O 3.48Å; A3865-I3936 VanDerWaalsContact CA-O 3.29Å; A3865-I3936 WeakPolarHBondContact CA-O 3.28Å; A3865-K3937 HydrophobicContact CB-CB 4.01Å; A3865-K3937 HydrophobicContact CB-CD 4.12Å; A3865-K3937 HydrophobicContact CB-CG 3.93Å |
| 3866 | I | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 156.4 | 167 | 65.8 | 168.6 | 0 | 0 | 0 | 110.4 | L3778 V3835 A3836 K3839 F3841 L3857 Y3864 V3915 I3935 I3936 | L3778-I3866 HydrophobicContact CD1-CD1 4.5Å; L3778-I3866 HydrophobicContact CD2-CD1 4.2Å; V3835-I3866 HydrophobicContact CB-CD1 4.08Å; V3835-I3866 HydrophobicContact CB-CG2 4.25Å; V3835-I3866 HydrophobicContact CG1-CD1 3.78Å; V3835-I3866 HydrophobicContact CG2-CD1 4.14Å; V3835-I3866 HydrophobicContact CG2-CG2 4.32Å; A3836-I3866 WeakPolarHBondContact O-CG2 3.3Å; K3839-I3866 WeakPolarHBondContact O-CA 3.27Å; F3841-I3866 HydrophobicContact CD2-CB 4.3Å; F3841-I3866 HydrophobicContact CD2-CD1 4.34Å; F3841-I3866 HydrophobicContact CE2-CB 4.31Å; F3841-I3866 HydrophobicContact CE2-CG2 4.08Å; L3857-I3866 HydrophobicContact CD1-CG1 4.43Å; L3857-I3866 HydrophobicContact CD2-CD1 4.41Å; Y3864-I3866 HydrophobicContact CE1-CG2 4.01Å; I3866-V3915 VanDerWaalsContact CA-CG2 3.46Å; I3866-I3935 WeakPolarHBondContact O-CA 3.32Å; I3866-I3936 HydrophobicContact CD1-CD1 4.14Å; I3866-I3936 HydrophobicContact CG1-CB 4Å; I3866-I3936 HydrophobicContact CG1-CD1 4.27Å; I3866-I3936 HydrophobicContact CG1-CG1 4.48Å; I3866-I3936 PolarHBondContact N-O 2.84Å; I3866-I3936 PolarHBondContact O-N 2.88Å |
| 3867 | R | 97.9 | Very high | 93.6 | Very high | 26.6667 Ų | 26.6667 | 21.2 Ų | 21.2 | 10% | 0.101 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 130.1 | 165.7 | -174.5 | -175.5 | 78.4 | -159.8 | 5.4 | 109.2 | D3800 K3839 N3840 F3841 P3913 V3915 V3934 I3935 | D3800-R3867 IonicContact OD2-NH2 2.88Å; D3800-R3867 PolarHBondContact OD2-NH2 3.04Å; D3800-R3867 VanDerWaalsContact OD2-NH2 3.09Å; K3839-R3867 PolarHBondContact O-N 3.07Å; K3839-R3867 VanDerWaalsContact O-N 3.14Å; N3840-R3867 CarbonylContact C-O 3.56Å; N3840-R3867 WeakPolarHBondContact CA-O 3.43Å; N3840-R3867 HydrophobicContact CB-CB 4.34Å; N3840-R3867 VanDerWaalsContact CG-CZ 3.44Å; N3840-R3867 WeakPolarHBondContact OD1-CB 3.37Å; F3841-R3867 PolarHBondContact N-O 2.96Å; R3867-P3913 VanDerWaalsContact CD-O 3.3Å; R3867-P3913 WeakPolarHBondContact CD-O 3.33Å; R3867-V3915 HydrophobicContact CB-CB 4.35Å; R3867-V3934 WeakPolarHBondContact CA-O 3.32Å; R3867-I3935 HydrophobicContact CB-CD1 3.79Å; R3867-I3935 HydrophobicContact CG-CD1 4.01Å |
| 3868 | L | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.7 | 174.3 | -176.3 | 62.9 | 0 | 0 | 0 | 110.4 | L3778 F3797 F3841 M3843 L3855 I3870 Y3933 V3934 I3936 | L3778-L3868 HydrophobicContact CD2-CD2 4.08Å; F3797-L3868 HydrophobicContact CD2-CD1 4.43Å; F3797-L3868 HydrophobicContact CE2-CD1 3.54Å; F3797-L3868 HydrophobicContact CE2-CD2 4.48Å; F3797-L3868 HydrophobicContact CZ-CD1 3.94Å; F3841-L3868 HydrophobicContact CB-CD1 3.86Å; F3841-L3868 CarbonylContact O-C 3.5Å; F3841-L3868 WeakPolarHBondContact O-CA 3.28Å; M3843-L3868 HydrophobicContact CB-CD1 4.04Å; M3843-L3868 HydrophobicContact CE-CD2 4.39Å; L3855-L3868 HydrophobicContact CD1-CD2 4.03Å; L3855-L3868 HydrophobicContact CD2-CD2 4.28Å; L3868-I3870 HydrophobicContact CD2-CD1 3.93Å; L3868-I3870 HydrophobicContact CD2-CG1 3.91Å; L3868-I3870 HydrophobicContact CG-CD1 4.31Å; L3868-I3870 HydrophobicContact CG-CG1 3.81Å; L3868-Y3933 CarbonylContact O-C 3.55Å; L3868-Y3933 VanDerWaalsContact O-CA 3.3Å; L3868-Y3933 WeakPolarHBondContact O-CA 3.45Å; L3868-V3934 HydrophobicContact CB-CG1 4.39Å; L3868-V3934 PolarHBondContact N-O 3.1Å; L3868-V3934 PolarHBondContact O-N 2.95Å; L3868-I3936 HydrophobicContact CB-CD1 4.11Å; L3868-I3936 HydrophobicContact CD2-CD1 4.16Å |
| 3869 | G | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 134 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | F3841 V3842 M3843 L3932 | F3841-G3869 PolarHBondContact O-N 3.09Å; V3842-G3869 CarbonylContact C-O 3.55Å; V3842-G3869 VanDerWaalsContact CA-O 3.24Å; V3842-G3869 WeakPolarHBondContact CA-O 3.27Å; M3843-G3869 PolarHBondContact N-O 2.74Å; G3869-L3932 CarbonylContact C-O 3.56Å; G3869-L3932 VanDerWaalsContact CA-O 3.28Å; G3869-L3932 WeakPolarHBondContact CA-O 3.36Å |
| 3870 | I | 97.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 125.8 | -176.2 | -49.3 | 174.9 | 0 | 0 | 0 | 109 | M3843 L3853 L3855 L3868 Y3872 M3931 L3932 I3944 | M3843-I3870 HydrophobicContact CE-CB 4.32Å; M3843-I3870 HydrophobicContact CE-CD1 4.09Å; M3843-I3870 HydrophobicContact CE-CG1 3.95Å; M3843-I3870 HydrophobicContact CE-CG2 3.56Å; L3853-I3870 HydrophobicContact CD2-CD1 3.97Å; L3855-I3870 HydrophobicContact CD1-CD1 3.89Å; L3868-I3870 HydrophobicContact CD2-CD1 3.93Å; L3868-I3870 HydrophobicContact CD2-CG1 3.91Å; L3868-I3870 HydrophobicContact CG-CD1 4.31Å; L3868-I3870 HydrophobicContact CG-CG1 3.81Å; I3870-Y3872 HydrophobicContact CB-CD2 3.88Å; I3870-Y3872 HydrophobicContact CB-CE2 4.07Å; I3870-Y3872 HydrophobicContact CD1-CE2 4.28Å; I3870-Y3872 HydrophobicContact CG2-CD2 3.55Å; I3870-Y3872 HydrophobicContact CG2-CE2 3.55Å; I3870-Y3872 PolarHBondContact O-N 2.85Å; I3870-Y3872 VanDerWaalsContact O-N 3.13Å; I3870-M3931 WeakPolarHBondContact O-CA 3.38Å; I3870-L3932 PolarHBondContact N-O 2.88Å; I3870-L3932 PolarHBondContact O-N 2.99Å; I3870-I3944 HydrophobicContact CD1-CD1 3.56Å |
| 3871 | D | 95 | Very high | 94.1 | Very high | 3.33333 Ų | 3.33333 | 19.6 Ų | 19.6 | 2% | 0.018 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 102 | 173.4 | 180 | 36.4 | 0 | 0 | 0 | 109.8 | R3730 M3843 Y3844 P3849 M3931 | R3730-D3871 WeakPolarHBondContact CD-OD2 3.37Å; R3730-D3871 IonicContact CZ-OD1 3.35Å; R3730-D3871 IonicContact CZ-OD2 3.14Å; R3730-D3871 IonicContact NE-OD1 3.03Å; R3730-D3871 PolarHBondContact NE-OD1 2.95Å; R3730-D3871 IonicContact NE-OD2 3.22Å; R3730-D3871 PolarHBondContact NE-OD2 2.94Å; R3730-D3871 IonicContact NH2-OD1 3.13Å; R3730-D3871 PolarHBondContact NH2-OD1 3Å; R3730-D3871 VanDerWaalsContact NH2-OD1 3.14Å; M3843-D3871 PolarHBondContact O-N 3.05Å; M3843-D3871 VanDerWaalsContact O-N 3.07Å; Y3844-D3871 HydrophobicContact CD1-CB 3.4Å; Y3844-D3871 VanDerWaalsContact CD1-CB 3.42Å; Y3844-D3871 WeakPolarHBondContact CD1-OD2 3.22Å; Y3844-D3871 HydrophobicContact CE1-CB 3.55Å; Y3844-D3871 HydrophobicContact CG-CB 4.01Å; P3849-D3871 VanDerWaalsContact CG-O 3.23Å; P3849-D3871 WeakPolarHBondContact CG-O 3.43Å; D3871-M3931 VanDerWaalsContact CA-SD 3.52Å; D3871-M3931 HydrophobicContact CB-SD 3.83Å |
| 3872 | Y | 92.7 | Very high | 94.2 | Very high | 1.33333 Ų | 1.33333 | 17.4 Ų | 17.4 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | trans | -110.5 | 73.4 | 179.4 | -99.7 | -74.2 | 0 | 0 | 0 | 109.7 | P3849 P3850 L3853 I3870 T3874 L3878 Q3930 L3932 I3944 L3946 | P3849-Y3872 HydrophobicContact CB-CD1 3.73Å; P3849-Y3872 HydrophobicContact CB-CE1 3.58Å; P3849-Y3872 HydrophobicContact CB-CG 4.46Å; P3849-Y3872 HydrophobicContact CG-CD1 4.24Å; P3850-Y3872 VanDerWaalsContact O-CE1 3.3Å; P3850-Y3872 WeakPolarHBondContact O-CE1 3.29Å; P3850-Y3872 PolarHBondContact O-OH 3.28Å; L3853-Y3872 VanDerWaalsContact CB-OH 3.28Å; L3853-Y3872 WeakPolarHBondContact CB-OH 3.22Å; L3853-Y3872 HydrophobicContact CD2-CE2 4.44Å; L3853-Y3872 WeakPolarHBondContact CD2-OH 3.26Å; I3870-Y3872 HydrophobicContact CB-CD2 3.88Å; I3870-Y3872 HydrophobicContact CB-CE2 4.07Å; I3870-Y3872 HydrophobicContact CD1-CE2 4.28Å; I3870-Y3872 HydrophobicContact CG2-CD2 3.55Å; I3870-Y3872 HydrophobicContact CG2-CE2 3.55Å; I3870-Y3872 PolarHBondContact O-N 2.85Å; I3870-Y3872 VanDerWaalsContact O-N 3.13Å; Y3872-T3874 VanDerWaalsContact C-N 3.3Å; Y3872-T3874 PolarHBondContact O-N 2.91Å; Y3872-L3878 HydrophobicContact CD1-CD1 4.37Å; Y3872-L3878 HydrophobicContact CD1-CD2 3.64Å; Y3872-L3878 HydrophobicContact CD2-CD1 4.03Å; Y3872-L3878 HydrophobicContact CD2-CD2 4.35Å; Y3872-L3878 HydrophobicContact CE1-CD2 3.89Å; Y3872-L3878 HydrophobicContact CG-CD1 3.78Å; Y3872-L3878 HydrophobicContact CG-CD2 3.89Å; Y3872-L3878 HydrophobicContact CG-CG 4.5Å; Y3872-Q3930 CarbonylContact C-O 3.51Å; Y3872-Q3930 PolarHBondContact N-O 3.07Å; Y3872-Q3930 PolarHBondContact O-OE1 3.06Å; Y3872-L3932 HydrophobicContact CD2-CB 4.14Å; Y3872-L3932 HydrophobicContact CD2-CD2 4.33Å; Y3872-L3932 HydrophobicContact CE2-CD2 4.36Å; Y3872-I3944 HydrophobicContact CE2-CD1 4.38Å; Y3872-I3944 HydrophobicContact CE2-CG2 3.96Å; Y3872-L3946 HydrophobicContact CD1-CD1 4.42Å | ||
| 3873 | F | 87.3 | Confident | 94.2 | Very high | 10.6667 Ų | 10.6667 | 15.9 Ų | 15.9 | 5% | 0.047 | 9% | 0.086 | C | C | . | . | trans | -79.4 | -4.9 | -178.8 | 64.3 | -97.9 | 0 | 0 | 0 | 114.6 | R3730 T3848 P3849 Q3930 | R3730-F3873 VanDerWaalsContact CZ-CB 3.42Å; T3848-F3873 HydrophobicContact CG2-CE2 4.46Å; P3849-F3873 VanDerWaalsContact CD-CE1 3.46Å; P3849-F3873 HydrophobicContact CG-CD1 4.28Å; P3849-F3873 HydrophobicContact CG-CE1 4.08Å; F3873-Q3930 PolarHBondContact O-NE2 2.91Å | ||
| 3874 | T | 87.4 | Confident | 94.1 | Very high | 5 Ų | 5 | 12.3 Ų | 12.3 | 3% | 0.031 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -76.7 | 126.7 | 177.7 | -52.5 | 0 | 0 | 0 | 0 | 110 | T3848 Y3872 G3876 L3946 T4070 | T3848-T3874 HydrophobicContact CG2-CG2 4.15Å; T3848-T3874 WeakPolarHBondContact CG2-OG1 3.34Å; Y3872-T3874 VanDerWaalsContact C-N 3.3Å; Y3872-T3874 PolarHBondContact O-N 2.91Å; T3874-G3876 PolarHBondContact O-N 2.93Å; T3874-L3946 HydrophobicContact CG2-CD1 3.69Å; T3874-T4070 HydrophobicContact CG2-CG2 3.65Å |
| 3875 | P | 83 | Confident | 94.1 | Very high | 15.6667 Ų | 15.6667 | 15.3 Ų | 15.3 | 10% | 0.102 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -61.1 | 126.1 | 177.4 | -27.1 | 38.1 | 0 | 0 | 0 | 112.6 | Q4067 T4070 Q4090 | P3875-Q4067 HydrophobicContact CB-CG 4.39Å; P3875-Q4067 VanDerWaalsContact CB-NE2 3.26Å; P3875-T4070 PolarHBondContact O-OG1 3.3Å; P3875-Q4090 HydrophobicContact CG-CB 4.21Å |
| 3876 | G | 87.7 | Confident | 93.9 | Very high | 16.6667 Ų | 16.6667 | 17.2 Ų | 17.2 | 17% | 0.172 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 167.6 | 166.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T3874 L3949 | T3874-G3876 PolarHBondContact O-N 2.93Å; G3876-L3949 VanDerWaalsContact C-CD2 3.43Å |
| 3877 | R | 89.5 | Confident | 93.8 | Very high | 26.3333 Ų | 26.3333 | 20.1 Ų | 20.1 | 10% | 0.099 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 125.8 | 170.8 | -175 | -176.1 | 72.4 | -133.6 | -5.3 | 108.3 | D3879 L3946 S3947 L3949 R3985 S4015 T4016 | R3877-D3879 WeakPolarHBondContact CD-OD1 3.44Å; R3877-D3879 IonicContact CZ-OD1 3.17Å; R3877-D3879 IonicContact CZ-OD2 3.4Å; R3877-D3879 IonicContact NE-OD1 3.19Å; R3877-D3879 PolarHBondContact NE-OD1 3.36Å; R3877-D3879 IonicContact NE-OD2 3.35Å; R3877-D3879 PolarHBondContact NE-OD2 3.14Å; R3877-D3879 IonicContact NH2-OD1 3.53Å; R3877-D3879 IonicContact NH2-OD2 3.04Å; R3877-D3879 PolarHBondContact NH2-OD2 3.09Å; R3877-L3946 CarbonylContact O-C 3.49Å; R3877-L3946 WeakPolarHBondContact O-CA 3.35Å; R3877-S3947 PolarHBondContact N-O 2.89Å; R3877-S3947 PolarHBondContact NH2-OG 3.31Å; R3877-S3947 PolarHBondContact O-N 2.86Å; R3877-L3949 HydrophobicContact CB-CD2 4.09Å; R3877-R3985 VanDerWaalsContact CD-NH2 3.3Å; R3877-R3985 VanDerWaalsContact NH1-NH2 3.12Å; R3877-S4015 PolarHBondContact NH1-OG 3.03Å; R3877-T4016 PolarHBondContact NH1-O 3.24Å; R3877-T4016 PolarHBondContact NH2-O 3.17Å |
| 3878 | L | 93.9 | Very high | 93.6 | Very high | 22.3333 Ų | 22.3333 | 24.7 Ų | 24.7 | 12% | 0.117 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 111.8 | 176.7 | -58.9 | 173.5 | 0 | 0 | 0 | 109.9 | Y3872 F3925 L3932 I3944 L3946 | Y3872-L3878 HydrophobicContact CD1-CD1 4.37Å; Y3872-L3878 HydrophobicContact CD1-CD2 3.64Å; Y3872-L3878 HydrophobicContact CD2-CD1 4.03Å; Y3872-L3878 HydrophobicContact CD2-CD2 4.35Å; Y3872-L3878 HydrophobicContact CE1-CD2 3.89Å; Y3872-L3878 HydrophobicContact CG-CD1 3.78Å; Y3872-L3878 HydrophobicContact CG-CD2 3.89Å; Y3872-L3878 HydrophobicContact CG-CG 4.5Å; L3878-F3925 HydrophobicContact CD1-CD2 3.51Å; L3878-F3925 VanDerWaalsContact CD1-CD2 3.49Å; L3878-F3925 HydrophobicContact CD1-CE2 3.54Å; L3878-F3925 HydrophobicContact CD1-CG 4.27Å; L3878-F3925 HydrophobicContact CD1-CZ 4.34Å; L3878-L3932 HydrophobicContact CB-CD2 4.32Å; L3878-L3932 HydrophobicContact CD1-CB 3.85Å; L3878-L3932 HydrophobicContact CD1-CD1 4.41Å; L3878-L3932 HydrophobicContact CD1-CD2 3.97Å; L3878-L3932 HydrophobicContact CD1-CG 4.29Å; L3878-I3944 HydrophobicContact CB-CG2 4.46Å; L3878-I3944 HydrophobicContact CD2-CG2 4.16Å; L3878-L3946 HydrophobicContact CD2-CB 4.17Å; L3878-L3946 HydrophobicContact CD2-CD1 4.27Å; L3878-L3946 HydrophobicContact CD2-CG 4.3Å |
| 3879 | D | 94.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 118.4 | 176.6 | -62.5 | -32.8 | 0 | 0 | 0 | 109 | R3877 Y3881 Y3886 I3944 K3945 S3947 P4018 | R3877-D3879 WeakPolarHBondContact CD-OD1 3.44Å; R3877-D3879 IonicContact CZ-OD1 3.17Å; R3877-D3879 IonicContact CZ-OD2 3.4Å; R3877-D3879 IonicContact NE-OD1 3.19Å; R3877-D3879 PolarHBondContact NE-OD1 3.36Å; R3877-D3879 IonicContact NE-OD2 3.35Å; R3877-D3879 PolarHBondContact NE-OD2 3.14Å; R3877-D3879 IonicContact NH2-OD1 3.53Å; R3877-D3879 IonicContact NH2-OD2 3.04Å; R3877-D3879 PolarHBondContact NH2-OD2 3.09Å; D3879-Y3881 HydrophobicContact CB-CD2 4.42Å; D3879-Y3881 HydrophobicContact CB-CE2 3.59Å; D3879-Y3881 WeakPolarHBondContact O-CD2 3.33Å; D3879-Y3886 HydrophobicContact CB-CD2 4.27Å; D3879-Y3886 HydrophobicContact CB-CE2 4.14Å; D3879-I3944 WeakPolarHBondContact O-CA 3.41Å; D3879-K3945 HydrophobicContact CB-CB 4.48Å; D3879-K3945 PolarHBondContact N-O 2.93Å; D3879-K3945 PolarHBondContact O-N 2.96Å; D3879-S3947 PolarHBondContact OD2-OG 3.31Å; D3879-P4018 WeakPolarHBondContact OD1-CG 3.23Å |
| 3880 | V | 97.2 | Very high | 93.3 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 129.3 | -179.6 | -178.6 | 0 | 0 | 0 | 0 | 110 | L3887 N3923 L3932 V3934 I3942 I3944 | V3880-L3887 PolarHBondContact O-N 3.13Å; V3880-N3923 HydrophobicContact CB-CB 4.46Å; V3880-N3923 HydrophobicContact CG1-CB 4.48Å; V3880-N3923 HydrophobicContact CG2-CB 3.93Å; V3880-L3932 HydrophobicContact CG2-CD1 4.39Å; V3880-L3932 HydrophobicContact CG2-CD2 4.21Å; V3880-V3934 HydrophobicContact CG1-CG2 4.11Å; V3880-I3942 HydrophobicContact CG1-CG2 4.13Å; V3880-I3944 HydrophobicContact CG2-CG1 4.39Å |
| 3881 | Y | 97.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 139 | 179.5 | -64.3 | -96.4 | 0 | 0 | 0 | 110.8 | D3879 G3884 V3885 Y3886 I3942 T3943 K3945 S4019 I4022 | D3879-Y3881 HydrophobicContact CB-CD2 4.42Å; D3879-Y3881 HydrophobicContact CB-CE2 3.59Å; D3879-Y3881 WeakPolarHBondContact O-CD2 3.33Å; Y3881-G3884 WeakPolarHBondContact CD1-O 3.34Å; Y3881-V3885 CarbonylContact C-O 3.54Å; Y3881-V3885 VanDerWaalsContact CA-O 3.25Å; Y3881-V3885 WeakPolarHBondContact CA-O 3.34Å; Y3881-Y3886 HydrophobicContact CE1-CD2 4.36Å; Y3881-Y3886 HydrophobicContact CE1-CG 4.43Å; Y3881-I3942 WeakPolarHBondContact O-CA 3.21Å; Y3881-T3943 PolarHBondContact N-O 2.97Å; Y3881-T3943 PolarHBondContact O-N 3.05Å; Y3881-K3945 HydrophobicContact CD2-CB 4.49Å; Y3881-K3945 HydrophobicContact CE2-CB 4.08Å; Y3881-S4019 VanDerWaalsContact CE1-O 3.24Å; Y3881-S4019 WeakPolarHBondContact CE1-O 3.32Å; Y3881-S4019 PolarHBondContact OH-O 3.1Å; Y3881-S4019 VanDerWaalsContact OH-O 3.08Å; Y3881-I4022 HydrophobicContact CD1-CB 4.18Å; Y3881-I4022 HydrophobicContact CD1-CD1 3.89Å; Y3881-I4022 HydrophobicContact CD1-CG1 3.69Å; Y3881-I4022 HydrophobicContact CD1-CG2 4.15Å; Y3881-I4022 HydrophobicContact CD2-CD1 3.95Å; Y3881-I4022 HydrophobicContact CD2-CG1 4.41Å; Y3881-I4022 HydrophobicContact CE1-CB 4.19Å; Y3881-I4022 HydrophobicContact CE1-CD1 4.3Å; Y3881-I4022 HydrophobicContact CE1-CG1 4.05Å; Y3881-I4022 HydrophobicContact CE1-CG2 3.59Å; Y3881-I4022 HydrophobicContact CE2-CD1 4.31Å; Y3881-I4022 HydrophobicContact CE2-CG2 4.3Å; Y3881-I4022 HydrophobicContact CG-CB 4.28Å; Y3881-I4022 HydrophobicContact CG-CD1 3.96Å; Y3881-I4022 HydrophobicContact CG-CG1 3.9Å |
| 3882 | V | 97.3 | Very high | 92.9 | Very high | 22.3333 Ų | 22.3333 | 30.8 Ų | 30.8 | 14% | 0.135 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 117.9 | 172.7 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | G3884 V3885 L3887 A3920 D3940 I3941 I3942 | V3882-G3884 PolarHBondContact O-N 2.92Å; V3882-G3884 VanDerWaalsContact O-N 3.08Å; V3882-V3885 PolarHBondContact N-O 3.04Å; V3882-V3885 PolarHBondContact O-N 2.84Å; V3882-L3887 HydrophobicContact CG2-CD2 4.5Å; V3882-A3920 HydrophobicContact CG1-CB 4.14Å; V3882-D3940 HydrophobicContact CG1-CB 4.09Å; V3882-I3941 WeakPolarHBondContact CA-O 3.21Å; V3882-I3942 HydrophobicContact CB-CD1 4.43Å; V3882-I3942 HydrophobicContact CG1-CD1 4.24Å; V3882-I3942 HydrophobicContact CG2-CD1 3.87Å |
| 3883 | N | 95.3 | Very high | 92.7 | Very high | 85.6667 Ų | 85.6667 | 34 Ų | 34 | 46% | 0.458 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 36.7 | -175.3 | -60.5 | -34.8 | 0 | 0 | 0 | 112.4 | D3940 I3941 | N3883-D3940 PolarHBondContact ND2-OD1 3.17Å; N3883-I3941 PolarHBondContact N-O 3Å; N3883-I3941 PolarHBondContact OD1-N 2.9Å |
| 3884 | G | 93.5 | Very high | 92.7 | Very high | 11.3333 Ų | 11.3333 | 37.9 Ų | 37.9 | 12% | 0.117 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.9 | -1.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116 | Y3881 V3882 N4021 I4022 | Y3881-G3884 WeakPolarHBondContact CD1-O 3.34Å; V3882-G3884 PolarHBondContact O-N 2.92Å; V3882-G3884 VanDerWaalsContact O-N 3.08Å; G3884-N4021 CarbonylContact O-C 3.46Å; G3884-N4021 VanDerWaalsContact O-CA 3.25Å; G3884-N4021 WeakPolarHBondContact O-CA 3.34Å; G3884-I4022 VanDerWaalsContact CA-CG2 3.45Å; G3884-I4022 PolarHBondContact O-N 2.78Å |
| 3885 | V | 96 | Very high | 92.3 | Very high | 64.3333 Ų | 64.3333 | 39 Ų | 39 | 39% | 0.39 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.3 | 179.3 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | Y3881 V3882 Q4020 | Y3881-V3885 CarbonylContact C-O 3.54Å; Y3881-V3885 VanDerWaalsContact CA-O 3.25Å; Y3881-V3885 WeakPolarHBondContact CA-O 3.34Å; V3882-V3885 PolarHBondContact N-O 3.04Å; V3882-V3885 PolarHBondContact O-N 2.84Å; V3885-Q4020 WeakPolarHBondContact CA-O 3.49Å |
| 3886 | Y | 95.3 | Very high | 91.8 | Very high | 42.3333 Ų | 42.3333 | 46.1 Ų | 46.1 | 17% | 0.166 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 135.6 | -179.3 | 173 | -110.7 | 0 | 0 | 0 | 112.7 | D3879 Y3881 K3888 P4018 S4019 Q4020 | D3879-Y3886 HydrophobicContact CB-CD2 4.27Å; D3879-Y3886 HydrophobicContact CB-CE2 4.14Å; Y3881-Y3886 HydrophobicContact CE1-CD2 4.36Å; Y3881-Y3886 HydrophobicContact CE1-CG 4.43Å; Y3886-K3888 HydrophobicContact CE1-CG 3.71Å; Y3886-P4018 HydrophobicContact CD1-CB 3.99Å; Y3886-P4018 HydrophobicContact CD2-CB 3.64Å; Y3886-P4018 HydrophobicContact CD2-CG 4.27Å; Y3886-P4018 HydrophobicContact CE1-CB 3.94Å; Y3886-P4018 HydrophobicContact CE1-CG 3.98Å; Y3886-P4018 HydrophobicContact CE2-CB 3.59Å; Y3886-P4018 HydrophobicContact CE2-CG 3.68Å; Y3886-P4018 HydrophobicContact CG-CB 3.85Å; Y3886-S4019 WeakPolarHBondContact CB-O 3.22Å; Y3886-Q4020 PolarHBondContact N-O 3.43Å |
| 3887 | L | 95.3 | Very high | 91.1 | Very high | 62 Ų | 62 | 48.6 Ų | 48.6 | 33% | 0.325 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 123.9 | 176 | -164.5 | 89 | 0 | 0 | 0 | 111.5 | V3880 V3882 G3921 N3923 | V3880-L3887 PolarHBondContact O-N 3.13Å; V3882-L3887 HydrophobicContact CG2-CD2 4.5Å; L3887-G3921 VanDerWaalsContact CD2-O 3.23Å; L3887-G3921 WeakPolarHBondContact CD2-O 3.27Å; L3887-N3923 PolarHBondContact O-ND2 3.1Å |
| 3888 | K | 93.3 | Very high | 90.5 | Very high | 122.333 Ų | 122.333 | 50.1 Ų | 50.1 | 53% | 0.532 | 28% | 0.282 | S | S | . | . | trans | -66.3 | 142.3 | 177.3 | -66.4 | -176.6 | -179.1 | -175.1 | 0 | 111.5 | Y3886 A3892 | Y3886-K3888 HydrophobicContact CE1-CG 3.71Å; K3888-A3892 HydrophobicContact CB-CB 4.34Å | ||
| 3889 | A | 94.9 | Very high | 89.9 | Confident | 14.6667 Ų | 14.6667 | 50.2 Ų | 50.2 | 12% | 0.121 | 28% | 0.282 | C | S | . | . | trans | -62.9 | 151.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N3891 A3892 L3902 N3923 | A3889-N3891 WeakPolarHBondContact CB-OD1 3.3Å; A3889-N3891 PolarHBondContact O-N 3.18Å; A3889-A3892 HydrophobicContact CB-CB 4.38Å; A3889-A3892 WeakPolarHBondContact O-CB 3.17Å; A3889-A3892 PolarHBondContact O-N 3.27Å; A3889-L3902 HydrophobicContact CB-CD2 4.09Å; A3889-N3923 CarbonylContact C-O 3.52Å; A3889-N3923 WeakPolarHBondContact CA-O 3.36Å; A3889-N3923 VanDerWaalsContact CA-OD1 3.3Å; A3889-N3923 WeakPolarHBondContact CA-OD1 3.38Å; A3889-N3923 VanDerWaalsContact CB-OD1 3.25Å; A3889-N3923 WeakPolarHBondContact CB-OD1 3.33Å | ||
| 3890 | K | 94.5 | Very high | 89.4 | Confident | 87.3333 Ų | 87.3333 | 52 Ų | 52 | 38% | 0.38 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -29.6 | 179.6 | -105.7 | -179.3 | 132 | 173.1 | 0 | 113.5 | A3892 F3911 M3912 D3918 T3922 N3923 | K3890-A3892 VanDerWaalsContact C-N 3.32Å; K3890-F3911 HydrophobicContact CB-CB 4.36Å; K3890-F3911 WeakPolarHBondContact CD-O 3.39Å; K3890-F3911 HydrophobicContact CG-CD1 4.5Å; K3890-M3912 PolarHBondContact NZ-O 3.28Å; K3890-M3912 VanDerWaalsContact NZ-O 3.12Å; K3890-D3918 IonicContact NZ-OD1 3.55Å; K3890-D3918 IonicContact NZ-OD2 3.65Å; K3890-D3918 PolarHBondContact NZ-OD2 3.01Å; K3890-D3918 VanDerWaalsContact NZ-OD2 3.15Å; K3890-T3922 HydrophobicContact CD-CG2 3.83Å; K3890-T3922 HydrophobicContact CG-CG2 3.72Å; K3890-N3923 PolarHBondContact N-O 3.25Å |
| 3891 | N | 93.7 | Very high | 88.8 | Confident | 4.33333 Ų | 4.33333 | 52.6 Ų | 52.6 | 2% | 0.023 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 8.7 | 175.9 | 66.4 | -34.5 | 0 | 0 | 0 | 113.4 | A3889 I3893 L3902 Q3903 F3911 Y3924 F3925 | A3889-N3891 WeakPolarHBondContact CB-OD1 3.3Å; A3889-N3891 PolarHBondContact O-N 3.18Å; N3891-I3893 PolarHBondContact O-N 2.77Å; N3891-L3902 WeakPolarHBondContact O-CA 3.44Å; N3891-Q3903 HydrophobicContact CB-CG 4.2Å; N3891-Q3903 WeakPolarHBondContact CB-O 3.37Å; N3891-Q3903 PolarHBondContact ND2-O 3.09Å; N3891-Q3903 WeakPolarHBondContact O-CG 3.24Å; N3891-Q3903 PolarHBondContact O-N 2.96Å; N3891-F3911 HydrophobicContact CB-CB 4.1Å; N3891-F3911 HydrophobicContact CB-CD1 3.94Å; N3891-F3911 HydrophobicContact CB-CD2 3.54Å; N3891-F3911 HydrophobicContact CB-CE1 4.27Å; N3891-F3911 HydrophobicContact CB-CE2 3.87Å; N3891-F3911 HydrophobicContact CB-CG 3.58Å; N3891-F3911 HydrophobicContact CB-CZ 4.25Å; N3891-Y3924 HydrophobicContact CB-CD2 4.01Å; N3891-Y3924 HydrophobicContact CB-CE2 4.14Å; N3891-Y3924 WeakPolarHBondContact ND2-CE2 3.33Å; N3891-F3925 PolarHBondContact ND2-O 2.93Å |
| 3892 | A | 91.3 | Very high | 88.4 | Confident | 26.6667 Ų | 26.6667 | 56.3 Ų | 56.3 | 22% | 0.22 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 120.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | K3888 A3889 K3890 T3900 V3901 L3902 | K3888-A3892 HydrophobicContact CB-CB 4.34Å; A3889-A3892 HydrophobicContact CB-CB 4.38Å; A3889-A3892 WeakPolarHBondContact O-CB 3.17Å; A3889-A3892 PolarHBondContact O-N 3.27Å; K3890-A3892 VanDerWaalsContact C-N 3.32Å; A3892-T3900 HydrophobicContact CB-CG2 3.77Å; A3892-V3901 CarbonylContact C-O 3.51Å; A3892-V3901 WeakPolarHBondContact CA-O 3.37Å; A3892-L3902 HydrophobicContact CB-CD2 4.25Å |
| 3893 | I | 89.1 | Confident | 88 | Confident | 68 Ų | 68 | 57.7 Ų | 57.7 | 35% | 0.349 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 157.8 | 175.6 | 61.5 | 166.6 | 0 | 0 | 0 | 110.5 | N3891 T3900 V3901 Q3903 | N3891-I3893 PolarHBondContact O-N 2.77Å; I3893-T3900 CarbonylContact O-C 3.54Å; I3893-T3900 VanDerWaalsContact O-CA 3.31Å; I3893-T3900 WeakPolarHBondContact O-CA 3.32Å; I3893-V3901 HydrophobicContact CD1-CG2 4.21Å; I3893-V3901 HydrophobicContact CG1-CG2 3.71Å; I3893-V3901 PolarHBondContact N-O 2.87Å; I3893-V3901 PolarHBondContact O-N 3.2Å; I3893-Q3903 HydrophobicContact CD1-CB 3.92Å; I3893-Q3903 HydrophobicContact CD1-CG 4.33Å; I3893-Q3903 HydrophobicContact CG1-CB 4.17Å; I3893-Q3903 HydrophobicContact CG2-CB 4.27Å; I3893-Q3903 HydrophobicContact CG2-CG 4.2Å |
| 3894 | T | 85.5 | Confident | 87.4 | Confident | 92.6667 Ų | 92.6667 | 58.3 Ų | 58.3 | 57% | 0.569 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 119.2 | 170.9 | -54.8 | 0 | 0 | 0 | 0 | 108.7 | G3898 Q3899 | T3894-G3898 VanDerWaalsContact CG2-C 3.43Å; T3894-G3898 VanDerWaalsContact CG2-CA 3.45Å; T3894-Q3899 CarbonylContact C-O 3.53Å; T3894-Q3899 VanDerWaalsContact CA-O 3.31Å; T3894-Q3899 WeakPolarHBondContact CA-O 3.46Å |
| 3895 | N | 80.4 | Confident | 87.1 | Confident | 28.6667 Ų | 28.6667 | 59.9 Ų | 59.9 | 15% | 0.153 | 34% | 0.338 | C | S | . | . | trans | -72.9 | 176.3 | 174.1 | 73.1 | 7.5 | 0 | 0 | 0 | 111.4 | L3897 G3898 Q3899 V3901 I3986 | N3895-L3897 PolarHBondContact O-N 3.12Å; N3895-L3897 WeakPolarHBondContact OD1-CA 3.15Å; N3895-L3897 WeakPolarHBondContact OD1-CB 3.26Å; N3895-L3897 PolarHBondContact OD1-N 3.07Å; N3895-G3898 PolarHBondContact O-N 2.95Å; N3895-G3898 PolarHBondContact OD1-N 2.96Å; N3895-Q3899 PolarHBondContact N-O 3.11Å; N3895-Q3899 PolarHBondContact ND2-OE1 3.24Å; N3895-Q3899 WeakPolarHBondContact OD1-CA 3.47Å; N3895-Q3899 VanDerWaalsContact OD1-CB 3.31Å; N3895-Q3899 WeakPolarHBondContact OD1-CB 3.39Å; N3895-Q3899 PolarHBondContact OD1-N 3.2Å; N3895-Q3899 PolarHBondContact OD1-O 3.07Å; N3895-V3901 HydrophobicContact CB-CG1 4.46Å; N3895-V3901 HydrophobicContact CB-CG2 4.08Å; N3895-I3986 PolarHBondContact ND2-O 3.24Å | ||
| 3896 | N | 72.8 | Confident | 86.5 | Confident | 163.667 Ų | 163.667 | 65 Ų | 65 | 88% | 0.875 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -16 | -179.3 | -62.6 | -7.5 | 0 | 0 | 0 | 114.1 | ||
| 3897 | L | 72.9 | Confident | 86.1 | Confident | 69.3333 Ų | 69.3333 | 67.3 Ų | 67.3 | 36% | 0.363 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 6.9 | 177.7 | -59.7 | 176.6 | 0 | 0 | 0 | 112.8 | N3895 Q3899 Y3965 V3970 I3986 | N3895-L3897 PolarHBondContact O-N 3.12Å; N3895-L3897 WeakPolarHBondContact OD1-CA 3.15Å; N3895-L3897 WeakPolarHBondContact OD1-CB 3.26Å; N3895-L3897 PolarHBondContact OD1-N 3.07Å; L3897-Q3899 VanDerWaalsContact C-N 3.28Å; L3897-Q3899 HydrophobicContact CB-CG 3.93Å; L3897-Q3899 PolarHBondContact O-N 2.94Å; L3897-Y3965 HydrophobicContact CD1-CD1 4.47Å; L3897-Y3965 HydrophobicContact CD1-CE1 4.42Å; L3897-Y3965 HydrophobicContact CD2-CD1 4.39Å; L3897-Y3965 HydrophobicContact CG-CD1 4.42Å; L3897-Y3965 HydrophobicContact CG-CE1 4.45Å; L3897-V3970 HydrophobicContact CD1-CG2 4.24Å; L3897-I3986 HydrophobicContact CD1-CB 4.39Å; L3897-I3986 HydrophobicContact CD1-CD1 3.6Å; L3897-I3986 HydrophobicContact CD1-CG1 3.84Å |
| 3898 | G | 75.9 | Confident | 85.4 | Confident | 58 Ų | 58 | 71.8 Ų | 71.8 | 60% | 0.598 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 76.2 | 13.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | T3894 N3895 | T3894-G3898 VanDerWaalsContact CG2-C 3.43Å; T3894-G3898 VanDerWaalsContact CG2-CA 3.45Å; N3895-G3898 PolarHBondContact O-N 2.95Å; N3895-G3898 PolarHBondContact OD1-N 2.96Å |
| 3899 | Q | 82 | Confident | 84.9 | Confident | 24 Ų | 24 | 70.8 Ų | 70.8 | 11% | 0.112 | 40% | 0.398 | C | S | . | . | trans | -98.4 | 142 | -175 | -51.3 | 170.5 | -29.7 | 0 | 0 | 111.2 | T3894 N3895 L3897 V3901 I3984 R3985 | T3894-Q3899 CarbonylContact C-O 3.53Å; T3894-Q3899 VanDerWaalsContact CA-O 3.31Å; T3894-Q3899 WeakPolarHBondContact CA-O 3.46Å; N3895-Q3899 PolarHBondContact N-O 3.11Å; N3895-Q3899 PolarHBondContact ND2-OE1 3.24Å; N3895-Q3899 WeakPolarHBondContact OD1-CA 3.47Å; N3895-Q3899 VanDerWaalsContact OD1-CB 3.31Å; N3895-Q3899 WeakPolarHBondContact OD1-CB 3.39Å; N3895-Q3899 PolarHBondContact OD1-N 3.2Å; N3895-Q3899 PolarHBondContact OD1-O 3.07Å; L3897-Q3899 VanDerWaalsContact C-N 3.28Å; L3897-Q3899 HydrophobicContact CB-CG 3.93Å; L3897-Q3899 PolarHBondContact O-N 2.94Å; Q3899-V3901 PolarHBondContact O-N 3.36Å; Q3899-I3984 PolarHBondContact NE2-O 2.9Å; Q3899-R3985 HydrophobicContact CB-CG 4.19Å; Q3899-R3985 HydrophobicContact CG-CG 4.39Å | ||
| 3900 | T | 83.5 | Confident | 84.7 | Confident | 38.6667 Ų | 38.6667 | 73.8 Ų | 73.8 | 24% | 0.237 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 119.7 | 175 | -56.5 | 0 | 0 | 0 | 0 | 110.9 | A3892 I3893 R3985 | A3892-T3900 HydrophobicContact CB-CG2 3.77Å; I3893-T3900 CarbonylContact O-C 3.54Å; I3893-T3900 VanDerWaalsContact O-CA 3.31Å; I3893-T3900 WeakPolarHBondContact O-CA 3.32Å; T3900-R3985 PolarHBondContact O-NH1 3Å |
| 3901 | V | 85.8 | Confident | 84.7 | Confident | 14.6667 Ų | 14.6667 | 70.7 Ų | 70.7 | 9% | 0.089 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 159.4 | 177.8 | -60 | 0 | 0 | 0 | 0 | 110.5 | A3892 I3893 N3895 Q3899 V3987 | A3892-V3901 CarbonylContact C-O 3.51Å; A3892-V3901 WeakPolarHBondContact CA-O 3.37Å; I3893-V3901 HydrophobicContact CD1-CG2 4.21Å; I3893-V3901 HydrophobicContact CG1-CG2 3.71Å; I3893-V3901 PolarHBondContact N-O 2.87Å; I3893-V3901 PolarHBondContact O-N 3.2Å; N3895-V3901 HydrophobicContact CB-CG1 4.46Å; N3895-V3901 HydrophobicContact CB-CG2 4.08Å; Q3899-V3901 PolarHBondContact O-N 3.36Å; V3901-V3987 HydrophobicContact CG1-CG1 4.39Å |
| 3902 | L | 88.3 | Confident | 84.8 | Confident | 80.6667 Ų | 80.6667 | 71.7 Ų | 71.7 | 42% | 0.422 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 124.5 | 177.8 | -60.1 | -175.1 | 0 | 0 | 0 | 110.3 | A3889 N3891 A3892 F3925 | A3889-L3902 HydrophobicContact CB-CD2 4.09Å; N3891-L3902 WeakPolarHBondContact O-CA 3.44Å; A3892-L3902 HydrophobicContact CB-CD2 4.25Å; L3902-F3925 HydrophobicContact CD1-CB 4.22Å; L3902-F3925 HydrophobicContact CD1-CD1 3.95Å |
| 3903 | Q | 88.2 | Confident | 85 | Confident | 52 Ų | 52 | 70.5 Ų | 70.5 | 24% | 0.243 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 134.4 | 173.5 | 158.7 | -177.9 | -18.8 | 0 | 0 | 110.3 | N3891 I3893 F3911 | N3891-Q3903 HydrophobicContact CB-CG 4.2Å; N3891-Q3903 WeakPolarHBondContact CB-O 3.37Å; N3891-Q3903 PolarHBondContact ND2-O 3.09Å; N3891-Q3903 WeakPolarHBondContact O-CG 3.24Å; N3891-Q3903 PolarHBondContact O-N 2.96Å; I3893-Q3903 HydrophobicContact CD1-CB 3.92Å; I3893-Q3903 HydrophobicContact CD1-CG 4.33Å; I3893-Q3903 HydrophobicContact CG1-CB 4.17Å; I3893-Q3903 HydrophobicContact CG2-CB 4.27Å; I3893-Q3903 HydrophobicContact CG2-CG 4.2Å; Q3903-F3911 HydrophobicContact CB-CZ 4.43Å; Q3903-F3911 VanDerWaalsContact CD-CZ 3.47Å; Q3903-F3911 HydrophobicContact CG-CE1 4.32Å; Q3903-F3911 HydrophobicContact CG-CE2 3.68Å; Q3903-F3911 HydrophobicContact CG-CZ 3.5Å; Q3903-F3911 VanDerWaalsContact CG-CZ 3.5Å |
| 3904 | P | 83.9 | Confident | 85.3 | Confident | 98.3333 Ų | 98.3333 | 70.6 Ų | 70.6 | 64% | 0.639 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 144 | 172.1 | 28.1 | -33.6 | 0 | 0 | 0 | 110.7 | ||
| 3905 | P | 85.8 | Confident | 85.8 | Confident | 45.3333 Ų | 45.3333 | 66.7 Ų | 66.7 | 29% | 0.294 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 139 | 176.1 | 30.5 | -37.6 | 0 | 0 | 0 | 111.3 | T3907 E3910 F3911 Y3924 | P3905-T3907 WeakPolarHBondContact CB-O 3.31Å; P3905-E3910 HydrophobicContact CB-CB 4.39Å; P3905-F3911 HydrophobicContact CB-CD2 4.1Å; P3905-F3911 HydrophobicContact CB-CE2 4.3Å; P3905-Y3924 WeakPolarHBondContact CD-OH 3.25Å; P3905-Y3924 VanDerWaalsContact CG-OH 3.29Å; P3905-Y3924 WeakPolarHBondContact CG-OH 3.29Å |
| 3906 | K | 85 | Confident | 86.4 | Confident | 171.667 Ų | 171.667 | 70.3 Ų | 70.3 | 75% | 0.746 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -86.9 | -29.1 | 170.9 | -62.4 | 175.2 | -177.1 | 171.4 | 0 | 111.7 | E3910 | K3906-E3910 WeakPolarHBondContact CA-OE2 3.44Å; K3906-E3910 WeakPolarHBondContact CB-OE2 3.38Å; K3906-E3910 PolarHBondContact N-OE2 3.22Å |
| 3907 | T | 86 | Confident | 87.5 | Confident | 90.3333 Ų | 90.3333 | 67 Ų | 67 | 55% | 0.554 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -128.8 | 153 | 176.9 | 63 | 0 | 0 | 0 | 0 | 110.5 | P3905 N3909 E3910 | P3905-T3907 WeakPolarHBondContact CB-O 3.31Å; T3907-N3909 PolarHBondContact O-N 2.94Å; T3907-E3910 PolarHBondContact O-N 2.93Å; T3907-E3910 VanDerWaalsContact O-N 3.16Å |
| 3908 | L | 80 | Confident | 88.7 | Confident | 156.667 Ų | 156.667 | 64.7 Ų | 64.7 | 82% | 0.82 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 108.3 | 178.3 | -174.3 | 66.2 | 0 | 0 | 0 | 111 | E3910 | L3908-E3910 VanDerWaalsContact C-N 3.33Å; L3908-E3910 PolarHBondContact O-N 2.81Å |
| 3909 | N | 83.7 | Confident | 89.7 | Confident | 102 Ų | 102 | 65.9 Ų | 65.9 | 55% | 0.545 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 9.9 | -178.1 | -57.1 | -40.1 | 0 | 0 | 0 | 116.5 | T3907 F3911 M3912 | T3907-N3909 PolarHBondContact O-N 2.94Å; N3909-F3911 VanDerWaalsContact C-N 3.28Å; N3909-F3911 PolarHBondContact O-N 3.04Å; N3909-F3911 VanDerWaalsContact O-N 3.12Å; N3909-M3912 HydrophobicContact CB-CB 4.08Å; N3909-M3912 WeakPolarHBondContact O-CB 3.37Å; N3909-M3912 PolarHBondContact O-N 3.17Å |
| 3910 | E | 90.8 | Very high | 90.4 | Very high | 76 Ų | 76 | 65.3 Ų | 65.3 | 36% | 0.355 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -44.3 | -177.2 | -175 | 176.3 | 178.9 | 0 | 0 | 113.7 | P3905 K3906 T3907 L3908 | P3905-E3910 HydrophobicContact CB-CB 4.39Å; K3906-E3910 WeakPolarHBondContact CA-OE2 3.44Å; K3906-E3910 WeakPolarHBondContact CB-OE2 3.38Å; K3906-E3910 PolarHBondContact N-OE2 3.22Å; T3907-E3910 PolarHBondContact O-N 2.93Å; T3907-E3910 VanDerWaalsContact O-N 3.16Å; L3908-E3910 VanDerWaalsContact C-N 3.33Å; L3908-E3910 PolarHBondContact O-N 2.81Å |
| 3911 | F | 94.5 | Very high | 91 | Very high | 22 Ų | 22 | 63.5 Ų | 63.5 | 10% | 0.096 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 6.9 | -177.5 | -57.2 | -62.3 | 0 | 0 | 0 | 113.7 | K3890 N3891 Q3903 P3905 N3909 P3913 Y3924 | K3890-F3911 HydrophobicContact CB-CB 4.36Å; K3890-F3911 WeakPolarHBondContact CD-O 3.39Å; K3890-F3911 HydrophobicContact CG-CD1 4.5Å; N3891-F3911 HydrophobicContact CB-CB 4.1Å; N3891-F3911 HydrophobicContact CB-CD1 3.94Å; N3891-F3911 HydrophobicContact CB-CD2 3.54Å; N3891-F3911 HydrophobicContact CB-CE1 4.27Å; N3891-F3911 HydrophobicContact CB-CE2 3.87Å; N3891-F3911 HydrophobicContact CB-CG 3.58Å; N3891-F3911 HydrophobicContact CB-CZ 4.25Å; Q3903-F3911 HydrophobicContact CB-CZ 4.43Å; Q3903-F3911 VanDerWaalsContact CD-CZ 3.47Å; Q3903-F3911 HydrophobicContact CG-CE1 4.32Å; Q3903-F3911 HydrophobicContact CG-CE2 3.68Å; Q3903-F3911 HydrophobicContact CG-CZ 3.5Å; Q3903-F3911 VanDerWaalsContact CG-CZ 3.5Å; P3905-F3911 HydrophobicContact CB-CD2 4.1Å; P3905-F3911 HydrophobicContact CB-CE2 4.3Å; N3909-F3911 VanDerWaalsContact C-N 3.28Å; N3909-F3911 PolarHBondContact O-N 3.04Å; N3909-F3911 VanDerWaalsContact O-N 3.12Å; F3911-P3913 WeakPolarHBondContact O-CD 3.41Å; F3911-Y3924 HydrophobicContact CB-CD1 4.31Å; F3911-Y3924 HydrophobicContact CB-CD2 3.57Å; F3911-Y3924 HydrophobicContact CB-CE1 4.49Å; F3911-Y3924 HydrophobicContact CB-CE2 3.86Å; F3911-Y3924 HydrophobicContact CB-CG 3.84Å; F3911-Y3924 HydrophobicContact CD2-CD2 4.45Å; F3911-Y3924 HydrophobicContact CD2-CE2 4.13Å; F3911-Y3924 HydrophobicContact CG-CD2 4.43Å; F3911-Y3924 HydrophobicContact CG-CE2 4.42Å; F3911-Y3924 WeakPolarHBondContact O-CB 3.45Å |
| 3912 | M | 94.8 | Very high | 91.6 | Very high | 27 Ų | 27 | 63.5 Ų | 63.5 | 13% | 0.133 | 35% | 0.345 | C | S | . | . | trans | -62.4 | 127.6 | -176.4 | -169.1 | 60.9 | 67.5 | 0 | 0 | 110.2 | K3890 N3909 N3914 Y3924 Y3933 | K3890-M3912 PolarHBondContact NZ-O 3.28Å; K3890-M3912 VanDerWaalsContact NZ-O 3.12Å; N3909-M3912 HydrophobicContact CB-CB 4.08Å; N3909-M3912 WeakPolarHBondContact O-CB 3.37Å; N3909-M3912 PolarHBondContact O-N 3.17Å; M3912-N3914 PolarHBondContact O-N 3.35Å; M3912-Y3924 HydrophobicContact CE-CD1 4.48Å; M3912-Y3933 HydrophobicContact CE-CD1 4.21Å; M3912-Y3933 HydrophobicContact CE-CD2 4.06Å; M3912-Y3933 HydrophobicContact CE-CE1 4.01Å; M3912-Y3933 HydrophobicContact CE-CE2 3.87Å; M3912-Y3933 HydrophobicContact CE-CG 4.23Å; M3912-Y3933 HydrophobicContact SD-CD1 3.67Å; M3912-Y3933 HydrophobicContact SD-CD2 4.03Å; M3912-Y3933 HydrophobicContact SD-CE1 4.04Å; M3912-Y3933 HydrophobicContact SD-CE2 4.38Å; M3912-Y3933 HydrophobicContact SD-CG 3.65Å | ||
| 3913 | P | 96.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | trans | -63.1 | 136.7 | 175.2 | -23.4 | 34.3 | 0 | 0 | 0 | 111.2 | R3867 F3911 D3918 T3922 I3935 | R3867-P3913 VanDerWaalsContact CD-O 3.3Å; R3867-P3913 WeakPolarHBondContact CD-O 3.33Å; F3911-P3913 WeakPolarHBondContact O-CD 3.41Å; P3913-D3918 WeakPolarHBondContact CA-OD2 3.33Å; P3913-T3922 HydrophobicContact CB-CG2 4.14Å; P3913-T3922 HydrophobicContact CG-CG2 4.46Å; P3913-I3935 HydrophobicContact CB-CD1 3.68Å; P3913-I3935 HydrophobicContact CB-CG1 3.61Å | ||
| 3914 | N | 95.3 | Very high | 92.5 | Very high | 70.3333 Ų | 70.3333 | 57.8 Ų | 57.8 | 38% | 0.376 | 32% | 0.316 | S | S | . | . | trans | -96.9 | 113.5 | 178.3 | -177.1 | -18.5 | 0 | 0 | 0 | 109.9 | M3912 I3916 T3917 D3918 | M3912-N3914 PolarHBondContact O-N 3.35Å; N3914-I3916 PolarHBondContact O-N 2.94Å; N3914-I3916 VanDerWaalsContact O-N 3.11Å; N3914-I3916 PolarHBondContact OD1-N 2.93Å; N3914-T3917 WeakPolarHBondContact CB-OG1 3.21Å; N3914-T3917 PolarHBondContact ND2-OG1 2.91Å; N3914-T3917 PolarHBondContact O-N 3.14Å; N3914-D3918 PolarHBondContact N-OD2 3.05Å; N3914-D3918 VanDerWaalsContact O-CB 3.26Å; N3914-D3918 WeakPolarHBondContact O-CB 3.29Å; N3914-D3918 PolarHBondContact O-N 2.98Å | ||
| 3915 | V | 95.2 | Very high | 93 | Very high | 10 Ų | 10 | 54.3 Ų | 54.3 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -24.4 | -177.8 | 69.3 | 0 | 0 | 0 | 0 | 114.6 | Q3838 A3865 I3866 R3867 I3935 | Q3838-V3915 HydrophobicContact CB-CG1 4.41Å; A3865-V3915 HydrophobicContact CB-CG2 4.06Å; A3865-V3915 WeakPolarHBondContact CB-O 3.25Å; A3865-V3915 WeakPolarHBondContact O-CG2 3.3Å; I3866-V3915 VanDerWaalsContact CA-CG2 3.46Å; R3867-V3915 HydrophobicContact CB-CB 4.35Å; V3915-I3935 HydrophobicContact CB-CD1 4.33Å |
| 3916 | I | 94.4 | Very high | 93.2 | Very high | 103.667 Ų | 103.667 | 53.5 Ų | 53.5 | 53% | 0.532 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -44.9 | -177.8 | -58.4 | 177.9 | 0 | 0 | 0 | 110.9 | Q3838 N3914 | Q3838-I3916 HydrophobicContact CG-CG1 4.39Å; N3914-I3916 PolarHBondContact O-N 2.94Å; N3914-I3916 VanDerWaalsContact O-N 3.11Å; N3914-I3916 PolarHBondContact OD1-N 2.93Å |
| 3917 | T | 95.6 | Very high | 93.2 | Very high | 94.3333 Ų | 94.3333 | 49.7 Ų | 49.7 | 58% | 0.579 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | -30.6 | -167.3 | 55.6 | 0 | 0 | 0 | 0 | 114 | N3914 | N3914-T3917 WeakPolarHBondContact CB-OG1 3.21Å; N3914-T3917 PolarHBondContact ND2-OG1 2.91Å; N3914-T3917 PolarHBondContact O-N 3.14Å |
| 3918 | D | 97 | Very high | 93.1 | Very high | 22.6667 Ų | 22.6667 | 50.3 Ų | 50.3 | 12% | 0.121 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -82.1 | 146.4 | -168.1 | -65.3 | -3.5 | 0 | 0 | 0 | 111.1 | K3890 P3913 N3914 T3922 I3935 | K3890-D3918 IonicContact NZ-OD1 3.55Å; K3890-D3918 IonicContact NZ-OD2 3.65Å; K3890-D3918 PolarHBondContact NZ-OD2 3.01Å; K3890-D3918 VanDerWaalsContact NZ-OD2 3.15Å; P3913-D3918 WeakPolarHBondContact CA-OD2 3.33Å; N3914-D3918 PolarHBondContact N-OD2 3.05Å; N3914-D3918 VanDerWaalsContact O-CB 3.26Å; N3914-D3918 WeakPolarHBondContact O-CB 3.29Å; N3914-D3918 PolarHBondContact O-N 2.98Å; D3918-T3922 HydrophobicContact CB-CG2 3.93Å; D3918-I3935 HydrophobicContact CB-CG1 4.21Å |
| 3919 | P | 97.1 | Very high | 93.4 | Very high | 82.6667 Ų | 82.6667 | 44.1 Ų | 44.1 | 54% | 0.537 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -73.8 | 166.8 | 176.7 | 30.5 | -35.4 | 0 | 0 | 0 | 112.5 | T3922 | P3919-T3922 VanDerWaalsContact CD-OG1 3.3Å; P3919-T3922 WeakPolarHBondContact CD-OG1 3.28Å; P3919-T3922 WeakPolarHBondContact CG-OG1 3.26Å; P3919-T3922 WeakPolarHBondContact O-CB 3.31Å; P3919-T3922 PolarHBondContact O-N 2.81Å; P3919-T3922 PolarHBondContact O-OG1 3.24Å |
| 3920 | A | 97.1 | Very high | 93.8 | Very high | 12 Ų | 12 | 41.4 Ų | 41.4 | 10% | 0.099 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | 140.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V3882 T3922 K3937 D3940 I3942 | V3882-A3920 HydrophobicContact CG1-CB 4.14Å; A3920-T3922 PolarHBondContact O-N 3.04Å; A3920-K3937 HydrophobicContact CB-CB 4.01Å; A3920-D3940 HydrophobicContact CB-CB 4.03Å; A3920-D3940 VanDerWaalsContact CB-OD2 3.29Å; A3920-D3940 WeakPolarHBondContact CB-OD2 3.22Å; A3920-I3942 HydrophobicContact CB-CD1 4.39Å |
| 3921 | G | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | -7.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | L3887 N3923 I3935 | L3887-G3921 VanDerWaalsContact CD2-O 3.23Å; L3887-G3921 WeakPolarHBondContact CD2-O 3.27Å; G3921-N3923 WeakPolarHBondContact O-CB 3.36Å; G3921-N3923 PolarHBondContact O-N 2.93Å; G3921-N3923 PolarHBondContact O-ND2 3.29Å; G3921-I3935 PolarHBondContact N-O 2.97Å |
| 3922 | T | 98.1 | Very high | 94 | Very high | 15 Ų | 15 | 36.9 Ų | 36.9 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | trans | -52.8 | 119.6 | 174 | -58.7 | 0 | 0 | 0 | 0 | 108.8 | K3890 P3913 D3918 P3919 A3920 V3934 I3935 | K3890-T3922 HydrophobicContact CD-CG2 3.83Å; K3890-T3922 HydrophobicContact CG-CG2 3.72Å; P3913-T3922 HydrophobicContact CB-CG2 4.14Å; P3913-T3922 HydrophobicContact CG-CG2 4.46Å; D3918-T3922 HydrophobicContact CB-CG2 3.93Å; P3919-T3922 VanDerWaalsContact CD-OG1 3.3Å; P3919-T3922 WeakPolarHBondContact CD-OG1 3.28Å; P3919-T3922 WeakPolarHBondContact CG-OG1 3.26Å; P3919-T3922 WeakPolarHBondContact O-CB 3.31Å; P3919-T3922 PolarHBondContact O-N 2.81Å; P3919-T3922 PolarHBondContact O-OG1 3.24Å; A3920-T3922 PolarHBondContact O-N 3.04Å; T3922-V3934 WeakPolarHBondContact O-CA 3.15Å; T3922-I3935 PolarHBondContact O-N 2.98Å | ||
| 3923 | N | 97.7 | Very high | 94.2 | Very high | 4.33333 Ų | 4.33333 | 37 Ų | 37 | 2% | 0.023 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 157.7 | -168 | 67.9 | 89.4 | 0 | 0 | 0 | 113.4 | V3880 L3887 A3889 K3890 G3921 L3932 Y3933 V3934 | V3880-N3923 HydrophobicContact CB-CB 4.46Å; V3880-N3923 HydrophobicContact CG1-CB 4.48Å; V3880-N3923 HydrophobicContact CG2-CB 3.93Å; L3887-N3923 PolarHBondContact O-ND2 3.1Å; A3889-N3923 CarbonylContact C-O 3.52Å; A3889-N3923 WeakPolarHBondContact CA-O 3.36Å; A3889-N3923 VanDerWaalsContact CA-OD1 3.3Å; A3889-N3923 WeakPolarHBondContact CA-OD1 3.38Å; A3889-N3923 VanDerWaalsContact CB-OD1 3.25Å; A3889-N3923 WeakPolarHBondContact CB-OD1 3.33Å; K3890-N3923 PolarHBondContact N-O 3.25Å; G3921-N3923 WeakPolarHBondContact O-CB 3.36Å; G3921-N3923 PolarHBondContact O-N 2.93Å; G3921-N3923 PolarHBondContact O-ND2 3.29Å; N3923-L3932 HydrophobicContact CB-CD1 4.31Å; N3923-Y3933 CarbonylContact C-O 3.51Å; N3923-Y3933 WeakPolarHBondContact CA-O 3.41Å; N3923-Y3933 VanDerWaalsContact CB-O 3.3Å; N3923-Y3933 WeakPolarHBondContact CB-O 3.39Å; N3923-V3934 HydrophobicContact CB-CB 4.29Å; N3923-V3934 HydrophobicContact CB-CG2 4.24Å |
| 3924 | Y | 96.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 37 Ų | 37 | 4% | 0.035 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 121.8 | 177.7 | 166 | -128 | 0 | 0 | 0 | 108.8 | N3891 P3905 F3911 M3912 D3926 Y3933 | N3891-Y3924 HydrophobicContact CB-CD2 4.01Å; N3891-Y3924 HydrophobicContact CB-CE2 4.14Å; N3891-Y3924 WeakPolarHBondContact ND2-CE2 3.33Å; P3905-Y3924 WeakPolarHBondContact CD-OH 3.25Å; P3905-Y3924 VanDerWaalsContact CG-OH 3.29Å; P3905-Y3924 WeakPolarHBondContact CG-OH 3.29Å; F3911-Y3924 HydrophobicContact CB-CD1 4.31Å; F3911-Y3924 HydrophobicContact CB-CD2 3.57Å; F3911-Y3924 HydrophobicContact CB-CE1 4.49Å; F3911-Y3924 HydrophobicContact CB-CE2 3.86Å; F3911-Y3924 HydrophobicContact CB-CG 3.84Å; F3911-Y3924 HydrophobicContact CD2-CD2 4.45Å; F3911-Y3924 HydrophobicContact CD2-CE2 4.13Å; F3911-Y3924 HydrophobicContact CG-CD2 4.43Å; F3911-Y3924 HydrophobicContact CG-CE2 4.42Å; F3911-Y3924 WeakPolarHBondContact O-CB 3.45Å; M3912-Y3924 HydrophobicContact CE-CD1 4.48Å; Y3924-D3926 HydrophobicContact CE1-CB 3.93Å; Y3924-D3926 HydrophobicContact CE2-CB 4.46Å; Y3924-D3926 WeakPolarHBondContact OH-CB 3.29Å; Y3924-Y3933 AromaticContact CD1-CD2 3.83Å; Y3924-Y3933 HydrophobicContact CD1-CD2 3.83Å; Y3924-Y3933 HydrophobicContact CD1-CE2 4.45Å; Y3924-Y3933 HydrophobicContact CE1-CD2 4.33Å; Y3924-Y3933 PolarHBondContact N-O 2.98Å; Y3924-Y3933 PolarHBondContact O-N 3.32Å |
| 3925 | F | 94.4 | Very high | 94.4 | Very high | 24 Ų | 24 | 33.6 Ų | 33.6 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 118.7 | 171.3 | -177.3 | -114.7 | 0 | 0 | 0 | 109.9 | L3878 N3891 L3902 D3927 L3932 | L3878-F3925 HydrophobicContact CD1-CD2 3.51Å; L3878-F3925 VanDerWaalsContact CD1-CD2 3.49Å; L3878-F3925 HydrophobicContact CD1-CE2 3.54Å; L3878-F3925 HydrophobicContact CD1-CG 4.27Å; L3878-F3925 HydrophobicContact CD1-CZ 4.34Å; N3891-F3925 PolarHBondContact ND2-O 2.93Å; L3902-F3925 HydrophobicContact CD1-CB 4.22Å; L3902-F3925 HydrophobicContact CD1-CD1 3.95Å; F3925-D3927 HydrophobicContact CD1-CB 4.44Å; F3925-D3927 HydrophobicContact CE1-CB 4.08Å; F3925-L3932 HydrophobicContact CB-CD1 4.09Å; F3925-L3932 HydrophobicContact CD2-CB 4.1Å; F3925-L3932 HydrophobicContact CD2-CD1 4.49Å |
| 3926 | D | 91.2 | Very high | 94.6 | Very high | 29.3333 Ų | 29.3333 | 33.1 Ų | 33.1 | 16% | 0.157 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 101.1 | 170.7 | 179.6 | 12.9 | 0 | 0 | 0 | 109.9 | Y3924 T3928 S3929 Q3930 M3931 | Y3924-D3926 HydrophobicContact CE1-CB 3.93Å; Y3924-D3926 HydrophobicContact CE2-CB 4.46Å; Y3924-D3926 WeakPolarHBondContact OH-CB 3.29Å; D3926-T3928 PolarHBondContact O-N 3Å; D3926-T3928 WeakPolarHBondContact OD1-CB 3.3Å; D3926-T3928 PolarHBondContact OD1-N 2.94Å; D3926-T3928 PolarHBondContact OD1-OG1 2.81Å; D3926-S3929 WeakPolarHBondContact CB-OG 3.4Å; D3926-S3929 VanDerWaalsContact CG-OG 3.23Å; D3926-S3929 PolarHBondContact O-N 3.02Å; D3926-S3929 WeakPolarHBondContact OD2-CB 3.4Å; D3926-S3929 PolarHBondContact OD2-N 3.23Å; D3926-S3929 PolarHBondContact OD2-OG 3.26Å; D3926-Q3930 VanDerWaalsContact O-CA 3.28Å; D3926-Q3930 WeakPolarHBondContact O-CA 3.34Å; D3926-Q3930 PolarHBondContact O-N 2.58Å; D3926-M3931 PolarHBondContact N-O 3.19Å; D3926-M3931 PolarHBondContact O-N 3.07Å; D3926-M3931 VanDerWaalsContact O-N 3.16Å |
| 3927 | D | 84.1 | Confident | 94.7 | Very high | 92 Ų | 92 | 30.4 Ų | 30.4 | 49% | 0.492 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -21.7 | 179 | -164.4 | 45 | 0 | 0 | 0 | 112.7 | F3925 Q3930 | F3925-D3927 HydrophobicContact CD1-CB 4.44Å; F3925-D3927 HydrophobicContact CE1-CB 4.08Å; D3927-Q3930 PolarHBondContact O-NE2 2.99Å; D3927-Q3930 PolarHBondContact OD1-NE2 2.82Å |
| 3928 | T | 84.9 | Confident | 94.8 | Very high | 101.333 Ų | 101.333 | 26 Ų | 26 | 62% | 0.622 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -44 | 179.9 | -51.1 | 0 | 0 | 0 | 0 | 111.5 | V3735 D3926 | V3735-T3928 HydrophobicContact CG1-CG2 4.21Å; D3926-T3928 PolarHBondContact O-N 3Å; D3926-T3928 WeakPolarHBondContact OD1-CB 3.3Å; D3926-T3928 PolarHBondContact OD1-N 2.94Å; D3926-T3928 PolarHBondContact OD1-OG1 2.81Å |
| 3929 | S | 86.4 | Confident | 94.7 | Very high | 27.6667 Ų | 27.6667 | 30.1 Ų | 30.1 | 19% | 0.193 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -7.7 | 177.3 | 61.3 | 0 | 0 | 0 | 0 | 113.5 | D3926 M3931 | D3926-S3929 WeakPolarHBondContact CB-OG 3.4Å; D3926-S3929 VanDerWaalsContact CG-OG 3.23Å; D3926-S3929 PolarHBondContact O-N 3.02Å; D3926-S3929 WeakPolarHBondContact OD2-CB 3.4Å; D3926-S3929 PolarHBondContact OD2-N 3.23Å; D3926-S3929 PolarHBondContact OD2-OG 3.26Å; S3929-M3931 PolarHBondContact O-N 3.1Å; S3929-M3931 WeakPolarHBondContact OG-CB 3.4Å; S3929-M3931 WeakPolarHBondContact OG-CG 3.35Å |
| 3930 | Q | 90.7 | Very high | 94.7 | Very high | 44.3333 Ų | 44.3333 | 28.8 Ų | 28.8 | 21% | 0.207 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 35.1 | -172.4 | -57.5 | -99.9 | -55.7 | 0 | 0 | 112.6 | Y3872 F3873 D3926 D3927 | Y3872-Q3930 CarbonylContact C-O 3.51Å; Y3872-Q3930 PolarHBondContact N-O 3.07Å; Y3872-Q3930 PolarHBondContact O-OE1 3.06Å; F3873-Q3930 PolarHBondContact O-NE2 2.91Å; D3926-Q3930 VanDerWaalsContact O-CA 3.28Å; D3926-Q3930 WeakPolarHBondContact O-CA 3.34Å; D3926-Q3930 PolarHBondContact O-N 2.58Å; D3927-Q3930 PolarHBondContact O-NE2 2.99Å; D3927-Q3930 PolarHBondContact OD1-NE2 2.82Å |
| 3931 | M | 93.6 | Very high | 94.7 | Very high | 3.33333 Ų | 3.33333 | 30 Ų | 30 | 2% | 0.016 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 126.4 | -177.4 | -68.2 | -67 | -65.7 | 0 | 0 | 111.6 | V3842 Y3844 I3870 D3871 D3926 S3929 Y3933 | V3842-M3931 HydrophobicContact CB-CE 4.39Å; V3842-M3931 HydrophobicContact CG1-CE 4.18Å; Y3844-M3931 HydrophobicContact CE1-SD 4.34Å; Y3844-M3931 HydrophobicContact CE2-CE 4.34Å; Y3844-M3931 PolarHBondContact OH-SD 2.71Å; I3870-M3931 WeakPolarHBondContact O-CA 3.38Å; D3871-M3931 VanDerWaalsContact CA-SD 3.52Å; D3871-M3931 HydrophobicContact CB-SD 3.83Å; D3926-M3931 PolarHBondContact N-O 3.19Å; D3926-M3931 PolarHBondContact O-N 3.07Å; D3926-M3931 VanDerWaalsContact O-N 3.16Å; S3929-M3931 PolarHBondContact O-N 3.1Å; S3929-M3931 WeakPolarHBondContact OG-CB 3.4Å; S3929-M3931 WeakPolarHBondContact OG-CG 3.35Å; M3931-Y3933 HydrophobicContact CB-CD2 4.41Å; M3931-Y3933 HydrophobicContact CB-CE2 3.67Å |
| 3932 | L | 97.1 | Very high | 94.7 | Very high | 0.666667 Ų | 0.666667 | 30 Ų | 30 | 0% | 0.003 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 117.5 | 168.4 | 178.8 | 66.2 | 0 | 0 | 0 | 110.2 | G3869 I3870 Y3872 L3878 V3880 N3923 F3925 I3944 | G3869-L3932 CarbonylContact C-O 3.56Å; G3869-L3932 VanDerWaalsContact CA-O 3.28Å; G3869-L3932 WeakPolarHBondContact CA-O 3.36Å; I3870-L3932 PolarHBondContact N-O 2.88Å; I3870-L3932 PolarHBondContact O-N 2.99Å; Y3872-L3932 HydrophobicContact CD2-CB 4.14Å; Y3872-L3932 HydrophobicContact CD2-CD2 4.33Å; Y3872-L3932 HydrophobicContact CE2-CD2 4.36Å; L3878-L3932 HydrophobicContact CB-CD2 4.32Å; L3878-L3932 HydrophobicContact CD1-CB 3.85Å; L3878-L3932 HydrophobicContact CD1-CD1 4.41Å; L3878-L3932 HydrophobicContact CD1-CD2 3.97Å; L3878-L3932 HydrophobicContact CD1-CG 4.29Å; V3880-L3932 HydrophobicContact CG2-CD1 4.39Å; V3880-L3932 HydrophobicContact CG2-CD2 4.21Å; N3923-L3932 HydrophobicContact CB-CD1 4.31Å; F3925-L3932 HydrophobicContact CB-CD1 4.09Å; F3925-L3932 HydrophobicContact CD2-CB 4.1Å; F3925-L3932 HydrophobicContact CD2-CD1 4.49Å; L3932-I3944 HydrophobicContact CD2-CB 4.48Å; L3932-I3944 HydrophobicContact CD2-CD1 3.76Å; L3932-I3944 HydrophobicContact CD2-CG1 3.95Å; L3932-I3944 HydrophobicContact CD2-CG2 3.7Å |
| 3933 | Y | 97.8 | Very high | 94.7 | Very high | 29.3333 Ų | 29.3333 | 29.7 Ų | 29.7 | 12% | 0.115 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 133 | 171.2 | -60.7 | -86.5 | 0 | 0 | 0 | 110.2 | L3868 M3912 N3923 Y3924 M3931 | L3868-Y3933 CarbonylContact O-C 3.55Å; L3868-Y3933 VanDerWaalsContact O-CA 3.3Å; L3868-Y3933 WeakPolarHBondContact O-CA 3.45Å; M3912-Y3933 HydrophobicContact CE-CD1 4.21Å; M3912-Y3933 HydrophobicContact CE-CD2 4.06Å; M3912-Y3933 HydrophobicContact CE-CE1 4.01Å; M3912-Y3933 HydrophobicContact CE-CE2 3.87Å; M3912-Y3933 HydrophobicContact CE-CG 4.23Å; M3912-Y3933 HydrophobicContact SD-CD1 3.67Å; M3912-Y3933 HydrophobicContact SD-CD2 4.03Å; M3912-Y3933 HydrophobicContact SD-CE1 4.04Å; M3912-Y3933 HydrophobicContact SD-CE2 4.38Å; M3912-Y3933 HydrophobicContact SD-CG 3.65Å; N3923-Y3933 CarbonylContact C-O 3.51Å; N3923-Y3933 WeakPolarHBondContact CA-O 3.41Å; N3923-Y3933 VanDerWaalsContact CB-O 3.3Å; N3923-Y3933 WeakPolarHBondContact CB-O 3.39Å; Y3924-Y3933 AromaticContact CD1-CD2 3.83Å; Y3924-Y3933 HydrophobicContact CD1-CD2 3.83Å; Y3924-Y3933 HydrophobicContact CD1-CE2 4.45Å; Y3924-Y3933 HydrophobicContact CE1-CD2 4.33Å; Y3924-Y3933 PolarHBondContact N-O 2.98Å; Y3924-Y3933 PolarHBondContact O-N 3.32Å; M3931-Y3933 HydrophobicContact CB-CD2 4.41Å; M3931-Y3933 HydrophobicContact CB-CE2 3.67Å |
| 3934 | V | 98.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 144.5 | 179.2 | 65 | 0 | 0 | 0 | 0 | 111.9 | L3855 R3867 L3868 V3880 T3922 N3923 I3936 I3942 | L3855-V3934 HydrophobicContact CD1-CG1 4.27Å; R3867-V3934 WeakPolarHBondContact CA-O 3.32Å; L3868-V3934 HydrophobicContact CB-CG1 4.39Å; L3868-V3934 PolarHBondContact N-O 3.1Å; L3868-V3934 PolarHBondContact O-N 2.95Å; V3880-V3934 HydrophobicContact CG1-CG2 4.11Å; T3922-V3934 WeakPolarHBondContact O-CA 3.15Å; N3923-V3934 HydrophobicContact CB-CB 4.29Å; N3923-V3934 HydrophobicContact CB-CG2 4.24Å; V3934-I3936 HydrophobicContact CG1-CG1 4.44Å; V3934-I3942 HydrophobicContact CG2-CG2 3.92Å |
| 3935 | I | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 127.1 | 169.1 | -60.4 | -53.8 | 0 | 0 | 0 | 110.2 | A3865 I3866 R3867 P3913 V3915 D3918 G3921 T3922 K3937 | A3865-I3935 HydrophobicContact CB-CG2 4.47Å; I3866-I3935 WeakPolarHBondContact O-CA 3.32Å; R3867-I3935 HydrophobicContact CB-CD1 3.79Å; R3867-I3935 HydrophobicContact CG-CD1 4.01Å; P3913-I3935 HydrophobicContact CB-CD1 3.68Å; P3913-I3935 HydrophobicContact CB-CG1 3.61Å; V3915-I3935 HydrophobicContact CB-CD1 4.33Å; D3918-I3935 HydrophobicContact CB-CG1 4.21Å; G3921-I3935 PolarHBondContact N-O 2.97Å; T3922-I3935 PolarHBondContact O-N 2.98Å; I3935-K3937 HydrophobicContact CG2-CB 4.18Å |
| 3936 | I | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 123.1 | 171.4 | -49.8 | 167.5 | 0 | 0 | 0 | 106.1 | L3778 L3855 L3857 A3865 I3866 L3868 V3934 I3942 | L3778-I3936 HydrophobicContact CD1-CD1 3.68Å; L3778-I3936 HydrophobicContact CD2-CD1 4.42Å; L3855-I3936 HydrophobicContact CB-CD1 4Å; L3855-I3936 HydrophobicContact CD1-CD1 4.01Å; L3857-I3936 HydrophobicContact CD1-CB 4.33Å; L3857-I3936 HydrophobicContact CD1-CG2 3.77Å; L3857-I3936 HydrophobicContact CG-CG2 3.82Å; A3865-I3936 CarbonylContact C-O 3.48Å; A3865-I3936 VanDerWaalsContact CA-O 3.29Å; A3865-I3936 WeakPolarHBondContact CA-O 3.28Å; I3866-I3936 HydrophobicContact CD1-CD1 4.14Å; I3866-I3936 HydrophobicContact CG1-CB 4Å; I3866-I3936 HydrophobicContact CG1-CD1 4.27Å; I3866-I3936 HydrophobicContact CG1-CG1 4.48Å; I3866-I3936 PolarHBondContact N-O 2.84Å; I3866-I3936 PolarHBondContact O-N 2.88Å; L3868-I3936 HydrophobicContact CB-CD1 4.11Å; L3868-I3936 HydrophobicContact CD2-CD1 4.16Å; V3934-I3936 HydrophobicContact CG1-CG1 4.44Å; I3936-I3942 HydrophobicContact CG1-CG1 4.27Å; I3936-I3942 HydrophobicContact CG2-CG1 4.28Å |
| 3937 | K | 97.9 | Very high | 94.4 | Very high | 45.6667 Ų | 45.6667 | 31 Ų | 31 | 20% | 0.199 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 133.9 | -171.5 | -178.1 | 172.3 | -169.8 | 171.4 | 0 | 112 | Y3864 A3865 A3920 I3935 D3940 | Y3864-K3937 CarbonylContact O-C 3.53Å; Y3864-K3937 WeakPolarHBondContact O-CA 3.35Å; Y3864-K3937 WeakPolarHBondContact O-CG 3.39Å; A3865-K3937 HydrophobicContact CB-CB 4.01Å; A3865-K3937 HydrophobicContact CB-CD 4.12Å; A3865-K3937 HydrophobicContact CB-CG 3.93Å; A3920-K3937 HydrophobicContact CB-CB 4.01Å; I3935-K3937 HydrophobicContact CG2-CB 4.18Å; K3937-D3940 WeakPolarHBondContact O-CB 3.35Å; K3937-D3940 PolarHBondContact O-N 3.04Å |
| 3938 | G | 96.8 | Very high | 94.6 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | -153.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D3861 Y3864 D3940 | D3861-G3938 WeakPolarHBondContact O-CA 3.36Å; Y3864-G3938 PolarHBondContact O-N 3.02Å; G3938-D3940 PolarHBondContact O-N 3.15Å |
| 3939 | E | 95.3 | Very high | 94.8 | Very high | 107.667 Ų | 107.667 | 23.6 Ų | 23.6 | 50% | 0.503 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 9.3 | 175.3 | -60.4 | -161.5 | 135.3 | 0 | 0 | 113.6 | Q3859 I3941 | Q3859-E3939 WeakPolarHBondContact CA-OE1 3.41Å; Q3859-E3939 PolarHBondContact N-OE1 2.88Å; E3939-I3941 PolarHBondContact O-N 3.09Å |
| 3940 | D | 96.8 | Very high | 95 | Very high | 56.6667 Ų | 56.6667 | 22.3 Ų | 22.3 | 30% | 0.303 | 11% | 0.109 | S | C | . | . | trans | -60.1 | 136.3 | 179.2 | -74.3 | -30.7 | 0 | 0 | 0 | 111 | V3882 N3883 A3920 K3937 G3938 | V3882-D3940 HydrophobicContact CG1-CB 4.09Å; N3883-D3940 PolarHBondContact ND2-OD1 3.17Å; A3920-D3940 HydrophobicContact CB-CB 4.03Å; A3920-D3940 VanDerWaalsContact CB-OD2 3.29Å; A3920-D3940 WeakPolarHBondContact CB-OD2 3.22Å; K3937-D3940 WeakPolarHBondContact O-CB 3.35Å; K3937-D3940 PolarHBondContact O-N 3.04Å; G3938-D3940 PolarHBondContact O-N 3.15Å | ||
| 3941 | I | 96.6 | Very high | 94.9 | Very high | 36.3333 Ų | 36.3333 | 21.9 Ų | 21.9 | 19% | 0.186 | 11% | 0.106 | C | C | . | . | trans | -88.5 | 115.2 | -179.1 | -55.4 | 178.7 | 0 | 0 | 0 | 108.6 | I3533 R3854 R3856 V3882 N3883 E3939 | I3533-I3941 HydrophobicContact CD1-CD1 3.52Å; I3533-I3941 VanDerWaalsContact CD1-CD1 3.48Å; I3533-I3941 HydrophobicContact CD1-CG1 4.47Å; R3854-I3941 HydrophobicContact CG-CG2 3.8Å; R3856-I3941 HydrophobicContact CG-CB 4.34Å; R3856-I3941 HydrophobicContact CG-CG1 4.06Å; R3856-I3941 HydrophobicContact CG-CG2 4.1Å; V3882-I3941 WeakPolarHBondContact CA-O 3.21Å; N3883-I3941 PolarHBondContact N-O 3Å; N3883-I3941 PolarHBondContact OD1-N 2.9Å; E3939-I3941 PolarHBondContact O-N 3.09Å | ||
| 3942 | I | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 123.4 | 172.7 | -52.5 | -55.3 | 0 | 0 | 0 | 108.5 | R3854 L3855 V3880 Y3881 V3882 A3920 V3934 I3936 I3944 | R3854-I3942 CarbonylContact C-O 3.45Å; R3854-I3942 WeakPolarHBondContact CA-O 3.35Å; L3855-I3942 HydrophobicContact CB-CB 4.23Å; L3855-I3942 PolarHBondContact N-O 3.06Å; L3855-I3942 PolarHBondContact O-N 3.14Å; L3855-I3942 VanDerWaalsContact O-N 3.08Å; V3880-I3942 HydrophobicContact CG1-CG2 4.13Å; Y3881-I3942 WeakPolarHBondContact O-CA 3.21Å; V3882-I3942 HydrophobicContact CB-CD1 4.43Å; V3882-I3942 HydrophobicContact CG1-CD1 4.24Å; V3882-I3942 HydrophobicContact CG2-CD1 3.87Å; A3920-I3942 HydrophobicContact CB-CD1 4.39Å; V3934-I3942 HydrophobicContact CG2-CG2 3.92Å; I3936-I3942 HydrophobicContact CG1-CG1 4.27Å; I3936-I3942 HydrophobicContact CG2-CG1 4.28Å; I3942-I3944 HydrophobicContact CG2-CG1 4.47Å |
| 3943 | T | 97.6 | Very high | 94.2 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 6% | 0.055 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 126.3 | 172.2 | -53.1 | 0 | 0 | 0 | 0 | 109.2 | E3852 L3853 Y3881 I4022 | E3852-T3943 HydrophobicContact CG-CG2 3.89Å; L3853-T3943 CarbonylContact O-C 3.56Å; L3853-T3943 WeakPolarHBondContact O-CA 3.32Å; Y3881-T3943 PolarHBondContact N-O 2.97Å; Y3881-T3943 PolarHBondContact O-N 3.05Å; T3943-I4022 HydrophobicContact CG2-CD1 3.8Å |
| 3944 | I | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121.2 | 175.5 | -61.5 | 158.1 | 0 | 0 | 0 | 106.9 | E3852 L3853 L3855 I3870 Y3872 L3878 D3879 V3880 L3932 I3942 | E3852-I3944 WeakPolarHBondContact CA-O 3.41Å; L3853-I3944 HydrophobicContact CB-CB 4.39Å; L3853-I3944 HydrophobicContact CD2-CD1 4.22Å; L3853-I3944 PolarHBondContact N-O 3.15Å; L3853-I3944 PolarHBondContact O-N 2.94Å; L3855-I3944 HydrophobicContact CD1-CD1 3.78Å; I3870-I3944 HydrophobicContact CD1-CD1 3.56Å; Y3872-I3944 HydrophobicContact CE2-CD1 4.38Å; Y3872-I3944 HydrophobicContact CE2-CG2 3.96Å; L3878-I3944 HydrophobicContact CB-CG2 4.46Å; L3878-I3944 HydrophobicContact CD2-CG2 4.16Å; D3879-I3944 WeakPolarHBondContact O-CA 3.41Å; V3880-I3944 HydrophobicContact CG2-CG1 4.39Å; L3932-I3944 HydrophobicContact CD2-CB 4.48Å; L3932-I3944 HydrophobicContact CD2-CD1 3.76Å; L3932-I3944 HydrophobicContact CD2-CG1 3.95Å; L3932-I3944 HydrophobicContact CD2-CG2 3.7Å; I3942-I3944 HydrophobicContact CG2-CG1 4.47Å |
| 3945 | K | 94.6 | Very high | 92.7 | Very high | 65 Ų | 65 | 21.5 Ų | 21.5 | 28% | 0.283 | 11% | 0.11 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 119.6 | 179 | -173 | 168.7 | -174.4 | 152.9 | 0 | 110.6 | Q3851 E3852 D3879 Y3881 S3947 | Q3851-K3945 CarbonylContact O-C 3.54Å; Q3851-K3945 VanDerWaalsContact O-CA 3.3Å; Q3851-K3945 WeakPolarHBondContact O-CA 3.19Å; E3852-K3945 IonicContact OE2-NZ 3.65Å; D3879-K3945 HydrophobicContact CB-CB 4.48Å; D3879-K3945 PolarHBondContact N-O 2.93Å; D3879-K3945 PolarHBondContact O-N 2.96Å; Y3881-K3945 HydrophobicContact CD2-CB 4.49Å; Y3881-K3945 HydrophobicContact CE2-CB 4.08Å; K3945-S3947 PolarHBondContact O-N 2.84Å |
| 3946 | L | 92.8 | Very high | 91.7 | Very high | 6 Ų | 6 | 21.7 Ų | 21.7 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 106.5 | 169.8 | -168.9 | 152.1 | 0 | 0 | 0 | 108.2 | Q3851 Y3872 T3874 R3877 L3878 T4070 | Q3851-L3946 HydrophobicContact CB-CB 4.01Å; Q3851-L3946 HydrophobicContact CG-CB 4.24Å; Q3851-L3946 HydrophobicContact CG-CD2 4.22Å; Q3851-L3946 PolarHBondContact O-N 2.99Å; Y3872-L3946 HydrophobicContact CD1-CD1 4.42Å; T3874-L3946 HydrophobicContact CG2-CD1 3.69Å; R3877-L3946 CarbonylContact O-C 3.49Å; R3877-L3946 WeakPolarHBondContact O-CA 3.35Å; L3878-L3946 HydrophobicContact CD2-CB 4.17Å; L3878-L3946 HydrophobicContact CD2-CD1 4.27Å; L3878-L3946 HydrophobicContact CD2-CG 4.3Å; L3946-T4070 HydrophobicContact CD2-CG2 4.47Å |
| 3947 | S | 89.5 | Confident | 90.5 | Very high | 24 Ų | 24 | 24.3 Ų | 24.3 | 17% | 0.168 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 131.1 | 173.7 | -73.3 | 0 | 0 | 0 | 0 | 110 | R3877 D3879 K3945 | R3877-S3947 PolarHBondContact N-O 2.89Å; R3877-S3947 PolarHBondContact NH2-OG 3.31Å; R3877-S3947 PolarHBondContact O-N 2.86Å; D3879-S3947 PolarHBondContact OD2-OG 3.31Å; K3945-S3947 PolarHBondContact O-N 2.84Å |
| 3948 | Q | 88.4 | Confident | 89 | Confident | 30 Ų | 30 | 25.2 Ų | 25.2 | 14% | 0.14 | 14% | 0.144 | C | C | . | . | trans | -58.1 | 138 | 173.7 | -61.1 | -178.4 | -68.1 | 0 | 0 | 110.7 | T4035 I4037 P4069 T4070 L4072 | Q3948-T4035 PolarHBondContact OE1-OG1 3.48Å; Q3948-I4037 HydrophobicContact CB-CG2 3.76Å; Q3948-I4037 HydrophobicContact CG-CG2 4.3Å; Q3948-I4037 VanDerWaalsContact OE1-CG2 3.23Å; Q3948-P4069 HydrophobicContact CB-CB 4.17Å; Q3948-T4070 WeakPolarHBondContact CG-O 3.42Å; Q3948-T4070 PolarHBondContact NE2-O 2.85Å; Q3948-L4072 HydrophobicContact CG-CD2 4.06Å | ||
| 3949 | L | 88.7 | Confident | 87.6 | Confident | 7.66667 Ų | 7.66667 | 27.1 Ų | 27.1 | 4% | 0.04 | 15% | 0.153 | C | C | . | . | trans | -141.7 | 160.9 | 176.1 | 64.3 | 77.4 | 0 | 0 | 0 | 110.8 | G3876 R3877 K3951 E4013 I4014 P4069 | G3876-L3949 VanDerWaalsContact C-CD2 3.43Å; R3877-L3949 HydrophobicContact CB-CD2 4.09Å; L3949-K3951 HydrophobicContact CD1-CG 3.64Å; L3949-E4013 HydrophobicContact CB-CG 3.98Å; L3949-E4013 HydrophobicContact CD1-CG 4.3Å; L3949-E4013 HydrophobicContact CD2-CG 4Å; L3949-E4013 HydrophobicContact CG-CG 4.33Å; L3949-I4014 CarbonylContact C-O 3.56Å; L3949-I4014 VanDerWaalsContact CA-O 3.31Å; L3949-I4014 WeakPolarHBondContact CA-O 3.34Å; L3949-P4069 VanDerWaalsContact O-CA 3.23Å; L3949-P4069 WeakPolarHBondContact O-CA 3.46Å | ||
| 3950 | I | 89.7 | Confident | 86.1 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 128.3 | 168.3 | -54 | 157.6 | 0 | 0 | 0 | 106.8 | V3952 E4013 I4014 I4037 I4040 I4066 Q4067 | I3950-V3952 HydrophobicContact CG2-CG2 3.95Å; I3950-E4013 CarbonylContact O-C 3.52Å; I3950-E4013 WeakPolarHBondContact O-CA 3.43Å; I3950-I4014 HydrophobicContact CB-CB 4.16Å; I3950-I4014 HydrophobicContact CD1-CB 4.26Å; I3950-I4014 HydrophobicContact CD1-CD1 4.46Å; I3950-I4014 HydrophobicContact CD1-CG2 4.41Å; I3950-I4014 PolarHBondContact N-O 3.26Å; I3950-I4014 PolarHBondContact O-N 3.27Å; I3950-I4037 HydrophobicContact CD1-CD1 3.75Å; I3950-I4037 HydrophobicContact CD1-CG1 3.99Å; I3950-I4037 HydrophobicContact CG1-CD1 4.16Å; I3950-I4037 HydrophobicContact CG1-CG1 4.06Å; I3950-I4040 HydrophobicContact CD1-CB 4.07Å; I3950-I4040 HydrophobicContact CD1-CG2 3.7Å; I3950-I4066 HydrophobicContact CG2-CG2 3.93Å; I3950-Q4067 WeakPolarHBondContact CA-O 3.28Å; I3950-Q4067 WeakPolarHBondContact CG2-O 3.41Å |
| 3951 | K | 88.6 | Confident | 84.4 | Confident | 35.6667 Ų | 35.6667 | 26.9 Ų | 26.9 | 16% | 0.155 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 128.3 | 165.7 | -60.4 | -165.1 | 172.4 | -163.9 | 0 | 109.8 | L3949 E4011 L4012 E4013 I4066 Q4067 | L3949-K3951 HydrophobicContact CD1-CG 3.64Å; K3951-E4011 HydrophobicContact CD-CG 4.44Å; K3951-E4011 WeakPolarHBondContact CD-OE1 3.45Å; K3951-E4011 IonicContact NZ-OE1 3.02Å; K3951-E4011 PolarHBondContact NZ-OE1 2.82Å; K3951-L4012 CarbonylContact C-O 3.57Å; K3951-L4012 VanDerWaalsContact CA-O 3.3Å; K3951-L4012 WeakPolarHBondContact CA-O 3.38Å; K3951-E4013 WeakPolarHBondContact CE-OE1 3.02Å; K3951-E4013 HydrophobicContact CG-CG 4.12Å; K3951-E4013 IonicContact NZ-OE1 2.74Å; K3951-I4066 CarbonylContact O-C 3.57Å; K3951-I4066 VanDerWaalsContact O-CA 3.3Å; K3951-I4066 WeakPolarHBondContact O-CA 3.44Å; K3951-Q4067 HydrophobicContact CB-CB 3.85Å; K3951-Q4067 VanDerWaalsContact CD-OE1 3.31Å; K3951-Q4067 HydrophobicContact CG-CB 4.37Å; K3951-Q4067 PolarHBondContact N-O 3.27Å; K3951-Q4067 PolarHBondContact O-N 3.05Å |
| 3952 | V | 88.5 | Confident | 82.8 | Confident | 2.66667 Ų | 2.66667 | 31.8 Ų | 31.8 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 111.6 | 173.2 | -171.6 | 0 | 0 | 0 | 0 | 107.3 | I3950 F3954 L4012 I4014 V4044 V4064 T4065 | I3950-V3952 HydrophobicContact CG2-CG2 3.95Å; V3952-F3954 HydrophobicContact CG1-CD1 4.21Å; V3952-L4012 HydrophobicContact CB-CB 4.36Å; V3952-L4012 PolarHBondContact N-O 2.92Å; V3952-L4012 PolarHBondContact O-N 3.27Å; V3952-I4014 HydrophobicContact CG2-CD1 4.26Å; V3952-V4044 HydrophobicContact CG1-CG1 4.4Å; V3952-V4044 HydrophobicContact CG2-CG1 3.75Å; V3952-V4064 HydrophobicContact CG1-CG1 3.83Å; V3952-T4065 WeakPolarHBondContact CA-O 3.41Å |
| 3953 | S | 87.4 | Confident | 81.2 | Confident | 7 Ų | 7 | 37.3 Ų | 37.3 | 5% | 0.049 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134.6 | -178.9 | -36.6 | 0 | 0 | 0 | 0 | 110.7 | V4010 E4011 V4064 T4065 | S3953-V4010 CarbonylContact C-O 3.54Å; S3953-V4010 VanDerWaalsContact CA-O 3.27Å; S3953-V4010 WeakPolarHBondContact CA-O 3.49Å; S3953-E4011 WeakPolarHBondContact OG-CG 3.21Å; S3953-E4011 PolarHBondContact OG-OE2 3.2Å; S3953-V4064 WeakPolarHBondContact O-CA 3.29Å; S3953-T4065 WeakPolarHBondContact CB-OG1 3.41Å; S3953-T4065 PolarHBondContact N-O 2.87Å; S3953-T4065 PolarHBondContact O-N 2.99Å; S3953-T4065 PolarHBondContact O-OG1 3.32Å |
| 3954 | F | 85 | Confident | 79.7 | Confident | 1.33333 Ų | 1.33333 | 37.7 Ų | 37.7 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 153.2 | -177.1 | 59.1 | -92.3 | 0 | 0 | 0 | 113.6 | V3952 L3956 V3969 V4010 L4012 I4057 V4061 G4063 V4064 | V3952-F3954 HydrophobicContact CG1-CD1 4.21Å; F3954-L3956 HydrophobicContact CD2-CD2 3.95Å; F3954-L3956 HydrophobicContact CD2-CG 4.19Å; F3954-L3956 HydrophobicContact CE2-CD1 4.38Å; F3954-L3956 HydrophobicContact CE2-CD2 3.76Å; F3954-L3956 HydrophobicContact CE2-CG 4.01Å; F3954-V3969 HydrophobicContact CZ-CG1 4.42Å; F3954-V4010 HydrophobicContact CD2-CB 4.33Å; F3954-V4010 HydrophobicContact CE1-CB 4.45Å; F3954-V4010 HydrophobicContact CE1-CG1 4.3Å; F3954-V4010 HydrophobicContact CE2-CB 3.89Å; F3954-V4010 HydrophobicContact CE2-CG1 4.28Å; F3954-V4010 HydrophobicContact CE2-CG2 4.26Å; F3954-V4010 HydrophobicContact CZ-CB 3.97Å; F3954-V4010 HydrophobicContact CZ-CG1 3.87Å; F3954-V4010 PolarHBondContact N-O 3.13Å; F3954-V4010 PolarHBondContact O-N 3.37Å; F3954-L4012 HydrophobicContact CE1-CD1 3.63Å; F3954-L4012 HydrophobicContact CE1-CG 3.87Å; F3954-L4012 HydrophobicContact CZ-CD1 4.09Å; F3954-L4012 HydrophobicContact CZ-CG 4.37Å; F3954-I4057 HydrophobicContact CD2-CD1 4.4Å; F3954-I4057 HydrophobicContact CE2-CD1 3.76Å; F3954-I4057 HydrophobicContact CZ-CD1 4.09Å; F3954-V4061 HydrophobicContact CB-CG1 3.46Å; F3954-V4061 VanDerWaalsContact CB-CG1 3.46Å; F3954-V4061 HydrophobicContact CD2-CG1 3.86Å; F3954-V4061 HydrophobicContact CD2-CG2 4.31Å; F3954-V4061 HydrophobicContact CG-CG1 3.87Å; F3954-G4063 VanDerWaalsContact CA-O 3.26Å; F3954-G4063 WeakPolarHBondContact CA-O 3.43Å; F3954-G4063 WeakPolarHBondContact CB-O 3.35Å; F3954-V4064 HydrophobicContact CB-CG1 4.45Å; F3954-V4064 HydrophobicContact CB-CG2 4.1Å |
| 3955 | G | 80.6 | Confident | 78.2 | Confident | 14 Ų | 14 | 43.8 Ų | 43.8 | 14% | 0.144 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 143.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V4008 V4061 V4062 | G3955-V4008 CarbonylContact C-O 3.57Å; G3955-V4061 CarbonylContact O-C 3.58Å; G3955-V4061 WeakPolarHBondContact O-CA 3.48Å; G3955-V4062 WeakPolarHBondContact CA-O 3.38Å; G3955-V4062 PolarHBondContact N-O 2.98Å; G3955-V4062 VanDerWaalsContact N-O 3.09Å; G3955-V4062 PolarHBondContact O-N 3.32Å |
| 3956 | L | 77.6 | Confident | 76.7 | Confident | 3.33333 Ų | 3.33333 | 42 Ų | 42 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 148.8 | 170.5 | -65.7 | 179.3 | 0 | 0 | 0 | 110.4 | F3954 M3959 F3964 G4007 V4008 V4010 I4057 T4059 T4060 | F3954-L3956 HydrophobicContact CD2-CD2 3.95Å; F3954-L3956 HydrophobicContact CD2-CG 4.19Å; F3954-L3956 HydrophobicContact CE2-CD1 4.38Å; F3954-L3956 HydrophobicContact CE2-CD2 3.76Å; F3954-L3956 HydrophobicContact CE2-CG 4.01Å; L3956-M3959 HydrophobicContact CB-CE 4.11Å; L3956-M3959 HydrophobicContact CB-SD 4.47Å; L3956-M3959 HydrophobicContact CD1-CE 4.32Å; L3956-M3959 HydrophobicContact CD1-SD 4Å; L3956-M3959 HydrophobicContact CG-CE 4.48Å; L3956-F3964 HydrophobicContact CD1-CD2 3.43Å; L3956-F3964 HydrophobicContact CD1-CE2 3.54Å; L3956-F3964 VanDerWaalsContact CD1-CE2 3.44Å; L3956-F3964 HydrophobicContact CD1-CG 4.2Å; L3956-G4007 CarbonylContact O-C 3.51Å; L3956-G4007 VanDerWaalsContact O-CA 3.22Å; L3956-G4007 WeakPolarHBondContact O-CA 3.45Å; L3956-V4008 HydrophobicContact CB-CB 4.29Å; L3956-V4008 WeakPolarHBondContact CB-O 3.29Å; L3956-V4008 PolarHBondContact N-O 2.8Å; L3956-V4008 PolarHBondContact O-N 2.91Å; L3956-V4008 VanDerWaalsContact O-N 3.13Å; L3956-V4010 HydrophobicContact CD1-CG2 3.66Å; L3956-V4010 HydrophobicContact CG-CG2 4.16Å; L3956-I4057 HydrophobicContact CD2-CD1 4.37Å; L3956-T4059 HydrophobicContact CD2-CG2 3.38Å; L3956-T4060 WeakPolarHBondContact CD2-O 3.41Å |
| 3957 | P | 73.3 | Confident | 75.6 | Confident | 54.3333 Ų | 54.3333 | 43.6 Ų | 43.6 | 35% | 0.353 | 25% | 0.246 | S | C | . | . | trans | -58.7 | 163.7 | 170.6 | 25 | -33.4 | 0 | 0 | 0 | 111.6 | M3959 T4060 | P3957-M3959 HydrophobicContact CG-CE 4.26Å; P3957-M3959 PolarHBondContact O-N 2.75Å; P3957-T4060 WeakPolarHBondContact CD-O 3.21Å | ||
| 3958 | A | 65.5 | Low | 75.1 | Confident | 65.6667 Ų | 65.6667 | 46.3 Ų | 46.3 | 54% | 0.543 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -55.8 | 103.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A4005 S4006 | A3958-A4005 HydrophobicContact CB-CB 3.81Å; A3958-S4006 WeakPolarHBondContact CA-O 3.36Å; A3958-S4006 WeakPolarHBondContact CB-O 3.27Å |
| 3959 | M | 67.2 | Low | 74.8 | Confident | 43 Ų | 43 | 45.3 Ų | 45.3 | 21% | 0.212 | 25% | 0.254 | C | S | . | . | trans | -137.4 | 156.5 | 172 | 65.1 | -175.8 | 67.4 | 0 | 0 | 109.2 | L3956 P3957 Q3963 F3964 V4008 T4059 | L3956-M3959 HydrophobicContact CB-CE 4.11Å; L3956-M3959 HydrophobicContact CB-SD 4.47Å; L3956-M3959 HydrophobicContact CD1-CE 4.32Å; L3956-M3959 HydrophobicContact CD1-SD 4Å; L3956-M3959 HydrophobicContact CG-CE 4.48Å; P3957-M3959 HydrophobicContact CG-CE 4.26Å; P3957-M3959 PolarHBondContact O-N 2.75Å; M3959-Q3963 HydrophobicContact CB-CB 4.13Å; M3959-F3964 HydrophobicContact CG-CB 4.34Å; M3959-F3964 HydrophobicContact SD-CB 4.18Å; M3959-F3964 HydrophobicContact SD-CD2 4.38Å; M3959-V4008 HydrophobicContact CG-CG2 4.18Å; M3959-V4008 VanDerWaalsContact O-CG2 3.31Å; M3959-V4008 WeakPolarHBondContact O-CG2 3.14Å; M3959-T4059 VanDerWaalsContact CE-OG1 3.24Å; M3959-T4059 WeakPolarHBondContact CE-OG1 3.42Å | ||
| 3960 | T | 64.3 | Low | 74.6 | Confident | 74.6667 Ų | 74.6667 | 45.3 Ų | 45.3 | 46% | 0.458 | 26% | 0.255 | S | S | . | . | trans | -76.1 | 156.5 | 174.1 | 64.2 | 0 | 0 | 0 | 0 | 110.6 | D3962 Q3963 F3964 | T3960-D3962 PolarHBondContact O-N 2.8Å; T3960-Q3963 WeakPolarHBondContact O-CB 3.33Å; T3960-Q3963 PolarHBondContact O-N 2.95Å; T3960-Q3963 WeakPolarHBondContact OG1-CB 3.26Å; T3960-Q3963 VanDerWaalsContact OG1-CG 3.3Å; T3960-Q3963 WeakPolarHBondContact OG1-CG 3.42Å; T3960-Q3963 PolarHBondContact OG1-N 3.08Å; T3960-Q3963 VanDerWaalsContact OG1-N 3.15Å; T3960-F3964 PolarHBondContact O-N 2.88Å | ||
| 3961 | I | 61.8 | Low | 74.4 | Confident | 84.6667 Ų | 84.6667 | 48.7 Ų | 48.7 | 43% | 0.434 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -55.8 | -35.2 | 175 | -66.7 | 174.4 | 0 | 0 | 0 | 110.7 | Q3963 F3964 Y3965 V3989 | I3961-Q3963 VanDerWaalsContact C-N 3.34Å; I3961-Q3963 PolarHBondContact O-N 3.14Å; I3961-F3964 WeakPolarHBondContact O-CB 3.37Å; I3961-F3964 PolarHBondContact O-N 2.79Å; I3961-Y3965 HydrophobicContact CG2-CD2 3.57Å; I3961-Y3965 HydrophobicContact CG2-CE2 3.17Å; I3961-Y3965 WeakPolarHBondContact O-CD2 3.46Å; I3961-Y3965 PolarHBondContact O-N 3.26Å; I3961-V3989 HydrophobicContact CG1-CG1 4.37Å |
| 3962 | D | 62.2 | Low | 74.2 | Confident | 140.333 Ų | 140.333 | 49.8 Ų | 49.8 | 75% | 0.75 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -70.2 | -29.1 | 176.5 | -57.6 | -34.8 | 0 | 0 | 0 | 113.4 | T3960 F3964 Y3965 G3966 | T3960-D3962 PolarHBondContact O-N 2.8Å; D3962-F3964 VanDerWaalsContact C-N 3.34Å; D3962-Y3965 PolarHBondContact O-N 2.98Å; D3962-G3966 PolarHBondContact O-N 3.48Å |
| 3963 | Q | 64.5 | Low | 74.1 | Confident | 114.333 Ų | 114.333 | 49.9 Ų | 49.9 | 53% | 0.534 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -75.3 | -23.4 | 173.6 | -77.9 | 171.5 | -20.9 | 0 | 0 | 112.3 | M3959 T3960 I3961 Y3965 G3966 S3967 | M3959-Q3963 HydrophobicContact CB-CB 4.13Å; T3960-Q3963 WeakPolarHBondContact O-CB 3.33Å; T3960-Q3963 PolarHBondContact O-N 2.95Å; T3960-Q3963 WeakPolarHBondContact OG1-CB 3.26Å; T3960-Q3963 VanDerWaalsContact OG1-CG 3.3Å; T3960-Q3963 WeakPolarHBondContact OG1-CG 3.42Å; T3960-Q3963 PolarHBondContact OG1-N 3.08Å; T3960-Q3963 VanDerWaalsContact OG1-N 3.15Å; I3961-Q3963 VanDerWaalsContact C-N 3.34Å; I3961-Q3963 PolarHBondContact O-N 3.14Å; Q3963-Y3965 WeakPolarHBondContact O-CD2 3.45Å; Q3963-Y3965 PolarHBondContact O-N 3.29Å; Q3963-G3966 PolarHBondContact O-N 2.78Å; Q3963-S3967 PolarHBondContact O-N 3.09Å |
| 3964 | F | 66.1 | Low | 74 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 8% | 0.075 | 28% | 0.279 | C | S | . | . | trans | -75.2 | 71.5 | 177 | 174.8 | -109.3 | 0 | 0 | 0 | 111.1 | L3956 M3959 T3960 I3961 D3962 G3966 S3967 V3969 I3986 V3989 V4010 | L3956-F3964 HydrophobicContact CD1-CD2 3.43Å; L3956-F3964 HydrophobicContact CD1-CE2 3.54Å; L3956-F3964 VanDerWaalsContact CD1-CE2 3.44Å; L3956-F3964 HydrophobicContact CD1-CG 4.2Å; M3959-F3964 HydrophobicContact CG-CB 4.34Å; M3959-F3964 HydrophobicContact SD-CB 4.18Å; M3959-F3964 HydrophobicContact SD-CD2 4.38Å; T3960-F3964 PolarHBondContact O-N 2.88Å; I3961-F3964 WeakPolarHBondContact O-CB 3.37Å; I3961-F3964 PolarHBondContact O-N 2.79Å; D3962-F3964 VanDerWaalsContact C-N 3.34Å; F3964-G3966 VanDerWaalsContact C-N 3.26Å; F3964-G3966 PolarHBondContact O-N 3.01Å; F3964-S3967 PolarHBondContact O-N 3Å; F3964-S3967 PolarHBondContact O-OG 3.13Å; F3964-V3969 HydrophobicContact CE2-CG2 3.91Å; F3964-V3969 HydrophobicContact CZ-CG2 4.26Å; F3964-I3986 HydrophobicContact CE1-CD1 3.66Å; F3964-I3986 HydrophobicContact CE1-CG2 4.33Å; F3964-I3986 HydrophobicContact CZ-CD1 3.84Å; F3964-V3989 HydrophobicContact CD1-CG1 4.28Å; F3964-V3989 HydrophobicContact CD1-CG2 4.24Å; F3964-V3989 HydrophobicContact CE1-CG1 4.33Å; F3964-V3989 HydrophobicContact CE1-CG2 3.86Å; F3964-V4010 HydrophobicContact CD2-CG2 4.18Å; F3964-V4010 HydrophobicContact CE1-CG1 4.28Å; F3964-V4010 HydrophobicContact CE1-CG2 4.26Å; F3964-V4010 HydrophobicContact CE2-CB 4.47Å; F3964-V4010 HydrophobicContact CE2-CG1 4.18Å; F3964-V4010 HydrophobicContact CE2-CG2 3.73Å; F3964-V4010 HydrophobicContact CZ-CB 4.14Å; F3964-V4010 HydrophobicContact CZ-CG1 3.74Å; F3964-V4010 HydrophobicContact CZ-CG2 3.68Å; F3964-V4010 VanDerWaalsContact CZ-CG2 3.46Å | ||
| 3965 | Y | 65.5 | Low | 74.1 | Confident | 129.667 Ų | 129.667 | 55.7 Ų | 55.7 | 51% | 0.508 | 31% | 0.312 | S | S | . | . | trans | -72.7 | 47.5 | 173.4 | -66.1 | -72.3 | 0 | 0 | 0 | 112 | L3897 I3961 D3962 Q3963 S3967 D3968 V3969 I3986 | L3897-Y3965 HydrophobicContact CD1-CD1 4.47Å; L3897-Y3965 HydrophobicContact CD1-CE1 4.42Å; L3897-Y3965 HydrophobicContact CD2-CD1 4.39Å; L3897-Y3965 HydrophobicContact CG-CD1 4.42Å; L3897-Y3965 HydrophobicContact CG-CE1 4.45Å; I3961-Y3965 HydrophobicContact CG2-CD2 3.57Å; I3961-Y3965 HydrophobicContact CG2-CE2 3.17Å; I3961-Y3965 WeakPolarHBondContact O-CD2 3.46Å; I3961-Y3965 PolarHBondContact O-N 3.26Å; D3962-Y3965 PolarHBondContact O-N 2.98Å; Q3963-Y3965 WeakPolarHBondContact O-CD2 3.45Å; Q3963-Y3965 PolarHBondContact O-N 3.29Å; Y3965-S3967 PolarHBondContact O-N 3.11Å; Y3965-S3967 VanDerWaalsContact O-N 3.09Å; Y3965-D3968 PolarHBondContact O-N 2.96Å; Y3965-V3969 PolarHBondContact O-N 2.78Å; Y3965-I3986 HydrophobicContact CE1-CD1 4.5Å | ||
| 3966 | G | 63.7 | Low | 74.3 | Confident | 26.6667 Ų | 26.6667 | 59.3 Ų | 59.3 | 28% | 0.275 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63 | -25.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D3962 Q3963 F3964 D3968 V3970 I3986 | D3962-G3966 PolarHBondContact O-N 3.48Å; Q3963-G3966 PolarHBondContact O-N 2.78Å; F3964-G3966 VanDerWaalsContact C-N 3.26Å; F3964-G3966 PolarHBondContact O-N 3.01Å; G3966-D3968 VanDerWaalsContact C-N 3.32Å; G3966-D3968 PolarHBondContact O-N 3.05Å; G3966-V3970 WeakPolarHBondContact O-CB 3.43Å; G3966-V3970 VanDerWaalsContact O-CG2 3.29Å; G3966-V3970 WeakPolarHBondContact O-CG2 3.44Å; G3966-V3970 PolarHBondContact O-N 3.1Å; G3966-V3970 VanDerWaalsContact O-N 3.08Å; G3966-I3986 VanDerWaalsContact CA-CD1 3.46Å |
| 3967 | S | 70.1 | Confident | 74.7 | Confident | 39.6667 Ų | 39.6667 | 59.8 Ų | 59.8 | 28% | 0.277 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68.2 | -21.7 | 172.5 | 50.4 | 0 | 0 | 0 | 0 | 111.7 | Q3963 F3964 Y3965 V3969 V3970 N3971 | Q3963-S3967 PolarHBondContact O-N 3.09Å; F3964-S3967 PolarHBondContact O-N 3Å; F3964-S3967 PolarHBondContact O-OG 3.13Å; Y3965-S3967 PolarHBondContact O-N 3.11Å; Y3965-S3967 VanDerWaalsContact O-N 3.09Å; S3967-V3969 PolarHBondContact O-N 2.98Å; S3967-V3969 WeakPolarHBondContact OG-CG2 3.15Å; S3967-V3970 PolarHBondContact O-N 3.08Å; S3967-N3971 WeakPolarHBondContact O-CB 3.37Å; S3967-N3971 VanDerWaalsContact O-CG 3.25Å; S3967-N3971 PolarHBondContact O-N 3.16Å; S3967-N3971 PolarHBondContact O-ND2 2.78Å; S3967-N3971 VanDerWaalsContact O-ND2 3.15Å |
| 3968 | D | 79.2 | Confident | 75.2 | Confident | 81.6667 Ų | 81.6667 | 60.2 Ų | 60.2 | 44% | 0.437 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -75.2 | -13.5 | -176.1 | -90 | -6.7 | 0 | 0 | 0 | 110.9 | Y3965 G3966 V3970 N3971 N3972 | Y3965-D3968 PolarHBondContact O-N 2.96Å; G3966-D3968 VanDerWaalsContact C-N 3.32Å; G3966-D3968 PolarHBondContact O-N 3.05Å; D3968-V3970 VanDerWaalsContact C-N 3.3Å; D3968-V3970 PolarHBondContact O-N 3.05Å; D3968-N3971 PolarHBondContact O-N 3.13Å; D3968-N3971 WeakPolarHBondContact OD1-CB 3.44Å; D3968-N3971 VanDerWaalsContact OD1-CG 3.26Å; D3968-N3971 PolarHBondContact OD1-ND2 3.48Å; D3968-N3971 WeakPolarHBondContact OD2-CB 3.32Å; D3968-N3971 PolarHBondContact OD2-ND2 3.32Å; D3968-N3972 VanDerWaalsContact O-CB 3.28Å; D3968-N3972 WeakPolarHBondContact O-CB 3.37Å; D3968-N3972 VanDerWaalsContact O-CG 3.26Å; D3968-N3972 PolarHBondContact O-N 3.15Å; D3968-N3972 PolarHBondContact O-ND2 3.07Å; D3968-N3972 PolarHBondContact O-OD1 2.97Å |
| 3969 | V | 81.6 | Confident | 76.2 | Confident | 7.33333 Ų | 7.33333 | 57.8 Ų | 57.8 | 4% | 0.044 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.5 | -44.9 | 177.5 | 176.4 | 0 | 0 | 0 | 0 | 111 | F3954 F3964 Y3965 S3967 L3973 L4012 I4057 | F3954-V3969 HydrophobicContact CZ-CG1 4.42Å; F3964-V3969 HydrophobicContact CE2-CG2 3.91Å; F3964-V3969 HydrophobicContact CZ-CG2 4.26Å; Y3965-V3969 PolarHBondContact O-N 2.78Å; S3967-V3969 PolarHBondContact O-N 2.98Å; S3967-V3969 WeakPolarHBondContact OG-CG2 3.15Å; V3969-L3973 VanDerWaalsContact O-CB 3.24Å; V3969-L3973 WeakPolarHBondContact O-CB 3.4Å; V3969-L3973 PolarHBondContact O-N 3.06Å; V3969-L3973 VanDerWaalsContact O-N 3.1Å; V3969-L4012 HydrophobicContact CG1-CD1 4.26Å; V3969-I4057 HydrophobicContact CG1-CB 4.35Å; V3969-I4057 HydrophobicContact CG1-CG2 3.98Å; V3969-I4057 HydrophobicContact CG2-CB 4.36Å |
| 3970 | V | 84.6 | Confident | 77.1 | Confident | 9.33333 Ų | 9.33333 | 59 Ų | 59 | 6% | 0.057 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.7 | -49.5 | 178.6 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | L3897 G3966 S3967 D3968 A3974 A3981 I3984 I3986 | L3897-V3970 HydrophobicContact CD1-CG2 4.24Å; G3966-V3970 WeakPolarHBondContact O-CB 3.43Å; G3966-V3970 VanDerWaalsContact O-CG2 3.29Å; G3966-V3970 WeakPolarHBondContact O-CG2 3.44Å; G3966-V3970 PolarHBondContact O-N 3.1Å; G3966-V3970 VanDerWaalsContact O-N 3.08Å; S3967-V3970 PolarHBondContact O-N 3.08Å; D3968-V3970 VanDerWaalsContact C-N 3.3Å; D3968-V3970 PolarHBondContact O-N 3.05Å; V3970-A3974 WeakPolarHBondContact O-CB 3.34Å; V3970-A3974 PolarHBondContact O-N 3.02Å; V3970-A3981 HydrophobicContact CG1-CB 4.1Å; V3970-I3984 HydrophobicContact CG1-CB 4.18Å; V3970-I3984 HydrophobicContact CG1-CG2 4.42Å; V3970-I3984 HydrophobicContact CG2-CG2 4.13Å; V3970-I3986 HydrophobicContact CG2-CD1 4.07Å; V3970-I3986 HydrophobicContact CG2-CG1 3.86Å |
| 3971 | N | 84.7 | Confident | 78.1 | Confident | 71.3333 Ų | 71.3333 | 57.1 Ų | 57.1 | 38% | 0.381 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.5 | -41.3 | -178.2 | -73.2 | -29.1 | 0 | 0 | 0 | 112.3 | S3967 D3968 A3974 N3975 A3981 | S3967-N3971 WeakPolarHBondContact O-CB 3.37Å; S3967-N3971 VanDerWaalsContact O-CG 3.25Å; S3967-N3971 PolarHBondContact O-N 3.16Å; S3967-N3971 PolarHBondContact O-ND2 2.78Å; S3967-N3971 VanDerWaalsContact O-ND2 3.15Å; D3968-N3971 PolarHBondContact O-N 3.13Å; D3968-N3971 WeakPolarHBondContact OD1-CB 3.44Å; D3968-N3971 VanDerWaalsContact OD1-CG 3.26Å; D3968-N3971 PolarHBondContact OD1-ND2 3.48Å; D3968-N3971 WeakPolarHBondContact OD2-CB 3.32Å; D3968-N3971 PolarHBondContact OD2-ND2 3.32Å; N3971-A3974 PolarHBondContact O-N 3.2Å; N3971-N3975 WeakPolarHBondContact O-CB 3.39Å; N3971-N3975 PolarHBondContact O-N 3.06Å; N3971-N3975 PolarHBondContact O-ND2 3Å; N3971-A3981 WeakPolarHBondContact OD1-CB 3.35Å |
| 3972 | N | 85.2 | Confident | 79.2 | Confident | 57.6667 Ų | 57.6667 | 60.1 Ų | 60.1 | 31% | 0.308 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.9 | -44.1 | 179.6 | -68.2 | -11.4 | 0 | 0 | 0 | 111.6 | D3968 A3974 N3975 Y3976 V4056 | D3968-N3972 VanDerWaalsContact O-CB 3.28Å; D3968-N3972 WeakPolarHBondContact O-CB 3.37Å; D3968-N3972 VanDerWaalsContact O-CG 3.26Å; D3968-N3972 PolarHBondContact O-N 3.15Å; D3968-N3972 PolarHBondContact O-ND2 3.07Å; D3968-N3972 PolarHBondContact O-OD1 2.97Å; N3972-A3974 VanDerWaalsContact C-N 3.34Å; N3972-N3975 PolarHBondContact O-N 3.19Å; N3972-Y3976 PolarHBondContact O-N 3.01Å; N3972-V4056 HydrophobicContact CB-CG1 4.18Å; N3972-V4056 WeakPolarHBondContact CB-O 3.39Å; N3972-V4056 PolarHBondContact ND2-O 3.02Å |
| 3973 | L | 85.4 | Confident | 80.4 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 176.8 | -171.8 | 62.1 | 0 | 0 | 0 | 111.3 | V3969 Y3976 L3977 I3984 L4012 I4014 L4047 V4056 | V3969-L3973 VanDerWaalsContact O-CB 3.24Å; V3969-L3973 WeakPolarHBondContact O-CB 3.4Å; V3969-L3973 PolarHBondContact O-N 3.06Å; V3969-L3973 VanDerWaalsContact O-N 3.1Å; L3973-Y3976 PolarHBondContact O-N 2.91Å; L3973-L3977 HydrophobicContact CD1-CD1 3.82Å; L3973-L3977 HydrophobicContact CD1-CG 4.06Å; L3973-L3977 HydrophobicContact CD2-CD1 4.4Å; L3973-L3977 HydrophobicContact CG-CD1 3.75Å; L3973-L3977 HydrophobicContact CG-CG 4.33Å; L3973-L3977 WeakPolarHBondContact O-CB 3.44Å; L3973-L3977 WeakPolarHBondContact O-CG 3.27Å; L3973-L3977 PolarHBondContact O-N 3.1Å; L3973-I3984 HydrophobicContact CB-CD1 3.89Å; L3973-I3984 HydrophobicContact CD2-CD1 4.04Å; L3973-I3984 HydrophobicContact CD2-CG2 4.27Å; L3973-I3984 HydrophobicContact CG-CD1 3.83Å; L3973-L4012 HydrophobicContact CD2-CD1 3.65Å; L3973-I4014 HydrophobicContact CD2-CD1 4.44Å; L3973-L4047 HydrophobicContact CD1-CD2 3.61Å; L3973-V4056 HydrophobicContact CD1-CG1 4.5Å |
| 3974 | A | 86.6 | Confident | 81.5 | Confident | 2.66667 Ų | 2.66667 | 48.9 Ų | 48.9 | 2% | 0.022 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61 | -45.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V3970 N3971 N3972 G3978 I3979 A3981 I3984 | V3970-A3974 WeakPolarHBondContact O-CB 3.34Å; V3970-A3974 PolarHBondContact O-N 3.02Å; N3971-A3974 PolarHBondContact O-N 3.2Å; N3972-A3974 VanDerWaalsContact C-N 3.34Å; A3974-G3978 PolarHBondContact O-N 3.04Å; A3974-I3979 CarbonylContact C-O 3.54Å; A3974-I3979 WeakPolarHBondContact CB-O 3.41Å; A3974-I3979 PolarHBondContact O-N 3.26Å; A3974-A3981 HydrophobicContact CB-CB 4.07Å; A3974-I3984 HydrophobicContact CB-CD1 3.84Å |
| 3975 | N | 86.2 | Confident | 82.4 | Confident | 129.333 Ų | 129.333 | 49.5 Ų | 49.5 | 69% | 0.692 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.2 | -44.3 | 176.6 | -72.7 | -22.1 | 0 | 0 | 0 | 111.9 | N3971 N3972 G3978 | N3971-N3975 WeakPolarHBondContact O-CB 3.39Å; N3971-N3975 PolarHBondContact O-N 3.06Å; N3971-N3975 PolarHBondContact O-ND2 3Å; N3972-N3975 PolarHBondContact O-N 3.19Å; N3975-G3978 PolarHBondContact O-N 3.05Å |
| 3976 | Y | 84.6 | Confident | 83.3 | Confident | 89.6667 Ų | 89.6667 | 43.9 Ų | 43.9 | 35% | 0.352 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.9 | -46.2 | 179 | -178.3 | -89.3 | 0 | 0 | 0 | 112.3 | N3972 L3973 G3978 L4047 L4052 V4056 | N3972-Y3976 PolarHBondContact O-N 3.01Å; L3973-Y3976 PolarHBondContact O-N 2.91Å; Y3976-G3978 PolarHBondContact O-N 3.07Å; Y3976-L4047 HydrophobicContact CD1-CB 4.45Å; Y3976-L4047 HydrophobicContact CD1-CD1 3.85Å; Y3976-L4047 HydrophobicContact CD1-CD2 3.94Å; Y3976-L4047 HydrophobicContact CD1-CG 4.31Å; Y3976-L4047 HydrophobicContact CD2-CD1 4.18Å; Y3976-L4047 HydrophobicContact CE1-CB 3.76Å; Y3976-L4047 HydrophobicContact CE1-CD1 3.5Å; Y3976-L4047 VanDerWaalsContact CE1-CD1 3.44Å; Y3976-L4047 HydrophobicContact CE1-CD2 4.07Å; Y3976-L4047 HydrophobicContact CE1-CG 3.97Å; Y3976-L4047 HydrophobicContact CE2-CD1 3.84Å; Y3976-L4047 HydrophobicContact CG-CD1 4.18Å; Y3976-L4047 VanDerWaalsContact CZ-CD1 3.42Å; Y3976-L4052 HydrophobicContact CE2-CD1 4.18Å; Y3976-V4056 HydrophobicContact CD2-CG2 3.59Å; Y3976-V4056 HydrophobicContact CE2-CG2 4.17Å; Y3976-V4056 HydrophobicContact CG-CG1 4.43Å; Y3976-V4056 HydrophobicContact CG-CG2 3.89Å |
| 3977 | L | 86 | Confident | 84 | Confident | 13.3333 Ų | 13.3333 | 44.6 Ų | 44.6 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -77 | -7.8 | -178.4 | -64.6 | 175.8 | 0 | 0 | 0 | 113.2 | L3973 I3979 I4014 I4040 N4043 V4044 | L3973-L3977 HydrophobicContact CD1-CD1 3.82Å; L3973-L3977 HydrophobicContact CD1-CG 4.06Å; L3973-L3977 HydrophobicContact CD2-CD1 4.4Å; L3973-L3977 HydrophobicContact CG-CD1 3.75Å; L3973-L3977 HydrophobicContact CG-CG 4.33Å; L3973-L3977 WeakPolarHBondContact O-CB 3.44Å; L3973-L3977 WeakPolarHBondContact O-CG 3.27Å; L3973-L3977 PolarHBondContact O-N 3.1Å; L3977-I3979 VanDerWaalsContact C-N 3.34Å; L3977-I3979 HydrophobicContact CB-CD1 4.12Å; L3977-I3979 HydrophobicContact CB-CG1 3.99Å; L3977-I3979 HydrophobicContact CD1-CD1 4.06Å; L3977-I3979 PolarHBondContact O-N 3.26Å; L3977-I4014 HydrophobicContact CD1-CD1 3.71Å; L3977-I4040 HydrophobicContact CD1-CG2 4.1Å; L3977-N4043 HydrophobicContact CD2-CB 3.94Å; L3977-V4044 HydrophobicContact CD1-CG2 3.84Å; L3977-V4044 HydrophobicContact CD2-CG2 3.77Å; L3977-V4044 HydrophobicContact CG-CG2 4.47Å |
| 3978 | G | 84.1 | Confident | 84.3 | Confident | 63 Ų | 63 | 48.2 Ų | 48.2 | 65% | 0.649 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 33.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A3974 N3975 Y3976 | A3974-G3978 PolarHBondContact O-N 3.04Å; N3975-G3978 PolarHBondContact O-N 3.05Å; Y3976-G3978 PolarHBondContact O-N 3.07Å |
| 3979 | I | 86.5 | Confident | 84 | Confident | 14.3333 Ų | 14.3333 | 46.3 Ų | 46.3 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -121.6 | 154.4 | -178.5 | 63.4 | -179.8 | 0 | 0 | 0 | 111.9 | A3974 L3977 A3981 N3983 I3984 I4014 I4040 | A3974-I3979 CarbonylContact C-O 3.54Å; A3974-I3979 WeakPolarHBondContact CB-O 3.41Å; A3974-I3979 PolarHBondContact O-N 3.26Å; L3977-I3979 VanDerWaalsContact C-N 3.34Å; L3977-I3979 HydrophobicContact CB-CD1 4.12Å; L3977-I3979 HydrophobicContact CB-CG1 3.99Å; L3977-I3979 HydrophobicContact CD1-CD1 4.06Å; L3977-I3979 PolarHBondContact O-N 3.26Å; I3979-A3981 PolarHBondContact O-N 3.15Å; I3979-N3983 HydrophobicContact CD1-CB 4.41Å; I3979-I3984 HydrophobicContact CD1-CD1 3.92Å; I3979-I3984 HydrophobicContact CD1-CG1 3.78Å; I3979-I3984 HydrophobicContact CG1-CD1 4.21Å; I3979-I3984 HydrophobicContact CG1-CG1 4.35Å; I3979-I4014 HydrophobicContact CD1-CG2 3.51Å; I3979-I4040 HydrophobicContact CD1-CG2 4.44Å; I3979-I4040 HydrophobicContact CG2-CD1 3.54Å; I3979-I4040 VanDerWaalsContact CG2-CD1 3.48Å; I3979-I4040 HydrophobicContact CG2-CG1 3.95Å |
| 3980 | P | 86.4 | Confident | 83.4 | Confident | 68.6667 Ų | 68.6667 | 47.5 Ų | 47.5 | 45% | 0.446 | 26% | 0.26 | S | S | . | . | trans | -60.4 | 137.7 | 174.3 | -24.1 | 35.2 | 0 | 0 | 0 | 112 | K3982 N3983 | P3980-K3982 HydrophobicContact CB-CD 4.49Å; P3980-K3982 HydrophobicContact CB-CG 3.8Å; P3980-K3982 PolarHBondContact O-N 2.97Å; P3980-K3982 VanDerWaalsContact O-N 3.09Å; P3980-N3983 VanDerWaalsContact O-CB 3.29Å; P3980-N3983 WeakPolarHBondContact O-CB 3.37Å; P3980-N3983 PolarHBondContact O-N 2.87Å | ||
| 3981 | A | 85 | Confident | 82.1 | Confident | 34 Ų | 34 | 48.4 Ų | 48.4 | 28% | 0.281 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -55 | -30.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V3970 N3971 A3974 I3979 N3983 I3984 | V3970-A3981 HydrophobicContact CG1-CB 4.1Å; N3971-A3981 WeakPolarHBondContact OD1-CB 3.35Å; A3974-A3981 HydrophobicContact CB-CB 4.07Å; I3979-A3981 PolarHBondContact O-N 3.15Å; A3981-N3983 PolarHBondContact O-N 3.37Å; A3981-N3983 VanDerWaalsContact O-N 3.11Å; A3981-I3984 PolarHBondContact O-N 3.26Å; A3981-I3984 VanDerWaalsContact O-N 3.09Å |
| 3982 | K | 84.9 | Confident | 80.3 | Confident | 149 Ų | 149 | 50.2 Ų | 50.2 | 65% | 0.648 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -61.6 | -15.5 | 174 | 67.2 | 175.7 | -177.3 | 179.5 | 0 | 114.5 | P3980 P4017 | P3980-K3982 HydrophobicContact CB-CD 4.49Å; P3980-K3982 HydrophobicContact CB-CG 3.8Å; P3980-K3982 PolarHBondContact O-N 2.97Å; P3980-K3982 VanDerWaalsContact O-N 3.09Å; K3982-P4017 HydrophobicContact CB-CG 4.5Å; K3982-P4017 HydrophobicContact CD-CG 4.39Å; K3982-P4017 HydrophobicContact CG-CG 4.35Å; K3982-P4017 WeakPolarHBondContact O-CG 3.35Å |
| 3983 | N | 87.4 | Confident | 78.5 | Confident | 17.6667 Ų | 17.6667 | 52.3 Ų | 52.3 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -86.7 | -8.3 | 177.5 | -68.6 | 18.3 | 0 | 0 | 0 | 112.8 | I3979 P3980 A3981 I4014 S4015 P4017 | I3979-N3983 HydrophobicContact CD1-CB 4.41Å; P3980-N3983 VanDerWaalsContact O-CB 3.29Å; P3980-N3983 WeakPolarHBondContact O-CB 3.37Å; P3980-N3983 PolarHBondContact O-N 2.87Å; A3981-N3983 PolarHBondContact O-N 3.37Å; A3981-N3983 VanDerWaalsContact O-N 3.11Å; N3983-I4014 CarbonylContact O-C 3.55Å; N3983-I4014 VanDerWaalsContact O-CA 3.28Å; N3983-I4014 WeakPolarHBondContact O-CA 3.34Å; N3983-S4015 CarbonylContact C-O 3.39Å; N3983-S4015 WeakPolarHBondContact CA-O 3.42Å; N3983-S4015 WeakPolarHBondContact CB-O 3.21Å; N3983-S4015 PolarHBondContact O-N 2.94Å; N3983-S4015 VanDerWaalsContact O-O 3.06Å; N3983-P4017 VanDerWaalsContact OD1-CD 3.25Å; N3983-P4017 WeakPolarHBondContact OD1-CD 3.27Å |
| 3984 | I | 87.3 | Confident | 76.4 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 120 | -179.4 | -53.7 | -178.9 | 0 | 0 | 0 | 108.1 | Q3899 V3970 L3973 A3974 I3979 A3981 E4013 I4014 | Q3899-I3984 PolarHBondContact NE2-O 2.9Å; V3970-I3984 HydrophobicContact CG1-CB 4.18Å; V3970-I3984 HydrophobicContact CG1-CG2 4.42Å; V3970-I3984 HydrophobicContact CG2-CG2 4.13Å; L3973-I3984 HydrophobicContact CB-CD1 3.89Å; L3973-I3984 HydrophobicContact CD2-CD1 4.04Å; L3973-I3984 HydrophobicContact CD2-CG2 4.27Å; L3973-I3984 HydrophobicContact CG-CD1 3.83Å; A3974-I3984 HydrophobicContact CB-CD1 3.84Å; I3979-I3984 HydrophobicContact CD1-CD1 3.92Å; I3979-I3984 HydrophobicContact CD1-CG1 3.78Å; I3979-I3984 HydrophobicContact CG1-CD1 4.21Å; I3979-I3984 HydrophobicContact CG1-CG1 4.35Å; A3981-I3984 PolarHBondContact O-N 3.26Å; A3981-I3984 VanDerWaalsContact O-N 3.09Å; I3984-E4013 CarbonylContact C-O 3.58Å; I3984-E4013 WeakPolarHBondContact CA-O 3.46Å; I3984-I4014 HydrophobicContact CG1-CG1 4.33Å; I3984-I4014 HydrophobicContact CG1-CG2 4.46Å |
| 3985 | R | 85.3 | Confident | 74.1 | Confident | 30.6667 Ų | 30.6667 | 59.1 Ų | 59.1 | 12% | 0.116 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138.3 | -178.5 | -65.3 | -176 | -70.9 | 166.8 | -0.3 | 111.2 | R3877 Q3899 T3900 V3987 L4012 E4013 S4015 | R3877-R3985 VanDerWaalsContact CD-NH2 3.3Å; R3877-R3985 VanDerWaalsContact NH1-NH2 3.12Å; Q3899-R3985 HydrophobicContact CB-CG 4.19Å; Q3899-R3985 HydrophobicContact CG-CG 4.39Å; T3900-R3985 PolarHBondContact O-NH1 3Å; R3985-V3987 HydrophobicContact CB-CG1 4.33Å; R3985-V3987 PolarHBondContact O-N 2.76Å; R3985-L4012 CarbonylContact O-C 3.55Å; R3985-L4012 WeakPolarHBondContact O-CA 3.2Å; R3985-E4013 HydrophobicContact CB-CB 4.47Å; R3985-E4013 IonicContact CZ-OE1 2.8Å; R3985-E4013 IonicContact CZ-OE2 3.41Å; R3985-E4013 PolarHBondContact N-O 3.15Å; R3985-E4013 IonicContact NE-OE2 3.21Å; R3985-E4013 IonicContact NH2-OE1 3.27Å; R3985-E4013 PolarHBondContact NH2-OE1 3.04Å; R3985-E4013 IonicContact NH2-OE2 2.81Å; R3985-E4013 PolarHBondContact NH2-OE2 3.35Å; R3985-E4013 PolarHBondContact O-N 3.11Å; R3985-S4015 PolarHBondContact NH2-OG 3.44Å |
| 3986 | I | 83.9 | Confident | 71.7 | Confident | 12 Ų | 12 | 59.4 Ų | 59.4 | 6% | 0.062 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 103.9 | 169.5 | -48.7 | -167.6 | 0 | 0 | 0 | 107.5 | N3895 L3897 F3964 Y3965 G3966 V3970 V3989 V4010 L4012 | N3895-I3986 PolarHBondContact ND2-O 3.24Å; L3897-I3986 HydrophobicContact CD1-CB 4.39Å; L3897-I3986 HydrophobicContact CD1-CD1 3.6Å; L3897-I3986 HydrophobicContact CD1-CG1 3.84Å; F3964-I3986 HydrophobicContact CE1-CD1 3.66Å; F3964-I3986 HydrophobicContact CE1-CG2 4.33Å; F3964-I3986 HydrophobicContact CZ-CD1 3.84Å; Y3965-I3986 HydrophobicContact CE1-CD1 4.5Å; G3966-I3986 VanDerWaalsContact CA-CD1 3.46Å; V3970-I3986 HydrophobicContact CG2-CD1 4.07Å; V3970-I3986 HydrophobicContact CG2-CG1 3.86Å; I3986-V3989 HydrophobicContact CG2-CG2 3.42Å; I3986-V3989 VanDerWaalsContact CG2-CG2 3.42Å; I3986-V4010 HydrophobicContact CG2-CG1 4.25Å; I3986-L4012 HydrophobicContact CB-CD2 4.31Å; I3986-L4012 HydrophobicContact CD1-CD2 4.41Å; I3986-L4012 HydrophobicContact CG1-CD2 3.73Å; I3986-L4012 HydrophobicContact CG2-CD2 4.4Å |
| 3987 | V | 79.1 | Confident | 69.4 | Low | 41 Ų | 41 | 61 Ų | 61 | 25% | 0.248 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -27.1 | -174.6 | -66.5 | 0 | 0 | 0 | 0 | 112.8 | V3901 R3985 E4011 E4013 | V3901-V3987 HydrophobicContact CG1-CG1 4.39Å; R3985-V3987 HydrophobicContact CB-CG1 4.33Å; R3985-V3987 PolarHBondContact O-N 2.76Å; V3987-E4011 HydrophobicContact CG2-CB 3.87Å; V3987-E4011 HydrophobicContact CG2-CG 3.52Å; V3987-E4011 WeakPolarHBondContact CG2-O 3.47Å; V3987-E4011 WeakPolarHBondContact CG2-OE1 3.42Å; V3987-E4011 PolarHBondContact N-O 3.11Å; V3987-E4013 HydrophobicContact CB-CG 4.41Å; V3987-E4013 HydrophobicContact CG1-CB 3.83Å; V3987-E4013 HydrophobicContact CG1-CG 3.67Å; V3987-E4013 WeakPolarHBondContact CG1-OE2 3.36Å; V3987-E4013 HydrophobicContact CG2-CB 4.46Å; V3987-E4013 HydrophobicContact CG2-CG 3.87Å |
| 3988 | K | 76.9 | Confident | 67.3 | Low | 116.333 Ų | 116.333 | 64.1 Ų | 64.1 | 51% | 0.506 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 132.2 | 179.4 | -157.3 | 176.4 | -178.4 | 174.7 | 0 | 111.4 | V3990 V4010 E4011 | K3988-V3990 HydrophobicContact CD-CG2 4Å; K3988-V3990 VanDerWaalsContact CE-CG2 3.48Å; K3988-V3990 HydrophobicContact CG-CG2 3.72Å; K3988-V4010 WeakPolarHBondContact O-CA 3.35Å; K3988-E4011 HydrophobicContact CB-CB 3.94Å; K3988-E4011 PolarHBondContact N-O 3.41Å; K3988-E4011 PolarHBondContact O-N 3.06Å |
| 3989 | V | 72.2 | Confident | 65 | Low | 40.3333 Ų | 40.3333 | 71.8 Ų | 71.8 | 24% | 0.244 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 112.2 | 169.6 | -175 | 0 | 0 | 0 | 0 | 107 | I3961 F3964 I3986 V4008 F4009 | I3961-V3989 HydrophobicContact CG1-CG1 4.37Å; F3964-V3989 HydrophobicContact CD1-CG1 4.28Å; F3964-V3989 HydrophobicContact CD1-CG2 4.24Å; F3964-V3989 HydrophobicContact CE1-CG1 4.33Å; F3964-V3989 HydrophobicContact CE1-CG2 3.86Å; I3986-V3989 HydrophobicContact CG2-CG2 3.42Å; I3986-V3989 VanDerWaalsContact CG2-CG2 3.42Å; V3989-V4008 HydrophobicContact CG1-CG1 3.39Å; V3989-V4008 VanDerWaalsContact CG1-CG1 3.41Å; V3989-F4009 CarbonylContact C-O 3.58Å; V3989-F4009 WeakPolarHBondContact CA-O 3.32Å |
| 3990 | V | 68.8 | Low | 62.5 | Low | 32.6667 Ų | 32.6667 | 83.6 Ų | 83.6 | 20% | 0.198 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 126 | -178.5 | -166.9 | 0 | 0 | 0 | 0 | 109.1 | K3988 S3994 A3995 V4008 F4009 | K3988-V3990 HydrophobicContact CD-CG2 4Å; K3988-V3990 VanDerWaalsContact CE-CG2 3.48Å; K3988-V3990 HydrophobicContact CG-CG2 3.72Å; V3990-S3994 WeakPolarHBondContact CG1-OG 3.24Å; V3990-A3995 HydrophobicContact CG1-CB 4.15Å; V3990-V4008 WeakPolarHBondContact O-CA 3.41Å; V3990-F4009 PolarHBondContact N-O 3.19Å; V3990-F4009 PolarHBondContact O-N 2.7Å |
| 3991 | S | 57.9 | Low | 60.1 | Low | 29.3333 Ų | 29.3333 | 91.9 Ų | 91.9 | 21% | 0.205 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 133.9 | 163.1 | 77.8 | 0 | 0 | 0 | 0 | 108.6 | S3993 S3994 | S3991-S3993 PolarHBondContact O-N 3.02Å; S3991-S3993 PolarHBondContact OG-OG 3.16Å; S3991-S3994 PolarHBondContact O-N 3.2Å; S3991-S3994 PolarHBondContact O-OG 3.21Å; S3991-S3994 PolarHBondContact OG-OG 3.08Å |
| 3992 | E | 46.2 | Very low | 57.8 | Low | 109.333 Ų | 109.333 | 101.8 Ų | 101.8 | 51% | 0.511 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -21 | -177.8 | -161.5 | 178.2 | -173.1 | 0 | 0 | 113.3 | S3994 S4006 G4007 | E3992-S3994 VanDerWaalsContact C-N 3.31Å; E3992-S3994 PolarHBondContact O-N 3.15Å; E3992-S4006 WeakPolarHBondContact OE2-CA 3.37Å; E3992-G4007 WeakPolarHBondContact CB-O 3.39Å; E3992-G4007 PolarHBondContact N-O 2.83Å; E3992-G4007 VanDerWaalsContact N-O 3.13Å; E3992-G4007 PolarHBondContact OE2-N 3.18Å; E3992-G4007 VanDerWaalsContact OE2-N 3.11Å |
| 3993 | S | 47.5 | Very low | 55.6 | Low | 100 Ų | 100 | 106.6 Ų | 106.6 | 70% | 0.699 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -13.9 | 175.2 | 50.9 | 0 | 0 | 0 | 0 | 115.7 | S3991 | S3991-S3993 PolarHBondContact O-N 3.02Å; S3991-S3993 PolarHBondContact OG-OG 3.16Å |
| 3994 | S | 42.8 | Very low | 53.4 | Low | 79.3333 Ų | 79.3333 | 110.5 Ų | 110.5 | 56% | 0.555 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -8.6 | -175.4 | 60.1 | 0 | 0 | 0 | 0 | 114.9 | V3990 S3991 E3992 | V3990-S3994 WeakPolarHBondContact CG1-OG 3.24Å; S3991-S3994 PolarHBondContact O-N 3.2Å; S3991-S3994 PolarHBondContact O-OG 3.21Å; S3991-S3994 PolarHBondContact OG-OG 3.08Å; E3992-S3994 VanDerWaalsContact C-N 3.31Å; E3992-S3994 PolarHBondContact O-N 3.15Å |
| 3995 | A | 38.1 | Very low | 51.3 | Low | 70.3333 Ų | 70.3333 | 114.6 Ų | 114.6 | 58% | 0.581 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -100.9 | 62.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V3990 S3997 | V3990-A3995 HydrophobicContact CG1-CB 4.15Å; A3995-S3997 PolarHBondContact O-N 3.12Å |
| 3996 | N | 34 | Very low | 49.8 | Very low | 135.667 Ų | 135.667 | 116 Ų | 116 | 73% | 0.725 | 60% | 0.603 | S | S | * | * | trans | -115.1 | 90.1 | 172.2 | -88.8 | -38.7 | 0 | 0 | 0 | 114.2 | G3998 | N3996-G3998 PolarHBondContact O-N 2.76Š| ||
| 3997 | S | 36.5 | Very low | 48.7 | Very low | 123 Ų | 123 | 116.3 Ų | 116.3 | 86% | 0.86 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -108.2 | 103.1 | 133.1 | 54.9 | 0 | 0 | 0 | 0 | 109.4 | A3995 R3999 | A3995-S3997 PolarHBondContact O-N 3.12Å; S3997-R3999 VanDerWaalsContact C-N 3.32Å; S3997-R3999 PolarHBondContact O-N 2.76Å |
| 3998 | G | 42.4 | Very low | 48.4 | Very low | 80 Ų | 80 | 114.5 Ų | 114.5 | 83% | 0.825 | 60% | 0.597 | S | S | * | * | S | Bend | trans | 96.9 | 47 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | N3996 | N3996-G3998 PolarHBondContact O-N 2.76Š|
| 3999 | R | 35.7 | Very low | 48.5 | Very low | 224.333 Ų | 224.333 | 113.1 Ų | 113.1 | 85% | 0.847 | 59% | 0.591 | S | S | * | * | trans | -135.6 | 107.9 | 158 | -122 | 174.2 | -177.6 | 178.3 | 1.2 | 111.1 | S3997 R4001 | S3997-R3999 VanDerWaalsContact C-N 3.32Å; S3997-R3999 PolarHBondContact O-N 2.76Å; R3999-R4001 VanDerWaalsContact C-N 3.29Å; R3999-R4001 PolarHBondContact O-N 2.82Å | ||
| 4000 | R | 35.1 | Very low | 49 | Very low | 261.333 Ų | 261.333 | 111.2 Ų | 111.2 | 99% | 0.986 | 58% | 0.58 | S | S | * | * | trans | -55.3 | 91.5 | 174.6 | -102.2 | 177.3 | 178.9 | 169.1 | -0.7 | 110.7 | ||||
| 4001 | R | 35.2 | Very low | 49.8 | Very low | 243 Ų | 243 | 111.2 Ų | 111.2 | 92% | 0.917 | 58% | 0.577 | S | S | * | * | trans | -103.4 | 122.9 | 161.5 | -118.1 | 179.5 | 178.1 | 167 | -1.4 | 108.4 | R3999 R4003 | R3999-R4001 VanDerWaalsContact C-N 3.29Å; R3999-R4001 PolarHBondContact O-N 2.82Å; R4001-R4003 PolarHBondContact O-N 2.97Å | ||
| 4002 | R | 37.6 | Very low | 51.2 | Low | 242.5 Ų | 242.5 | 109.8 Ų | 109.8 | 92% | 0.915 | 57% | 0.568 | S | S | * | * | trans | -64 | 128.8 | -177.7 | -82.3 | 173.6 | 166.9 | 157.5 | -5.2 | 110.7 | S4004 | R4002-S4004 PolarHBondContact O-N 2.79Š| ||
| 4003 | R | 38.6 | Very low | 53.3 | Low | 250.5 Ų | 250.5 | 105.5 Ų | 105.5 | 95% | 0.945 | 55% | 0.548 | S | S | * | . | trans | 22.8 | 86.4 | 151.9 | -62.7 | 179.3 | -176 | 171.3 | -0.5 | 116.3 | R4001 | R4001-R4003 PolarHBondContact O-N 2.97Š| ||
| 4004 | S | 39.9 | Very low | 55.3 | Low | 98.5 Ų | 98.5 | 100.8 Ų | 100.8 | 69% | 0.689 | 52% | 0.515 | S | S | * | . | trans | -115.9 | 140.8 | 141.7 | 47.7 | 0 | 0 | 0 | 0 | 107 | R4002 S4006 | R4002-S4004 PolarHBondContact O-N 2.79Å; S4004-S4006 PolarHBondContact O-N 2.9Å | ||
| 4005 | A | 44.5 | Very low | 57.5 | Low | 85.5 Ų | 85.5 | 97.1 Ų | 97.1 | 71% | 0.707 | 49% | 0.489 | S | S | * | . | trans | -55 | 126 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A3958 G4007 | A3958-A4005 HydrophobicContact CB-CB 3.81Å; A4005-G4007 PolarHBondContact O-N 3.12Å | ||
| 4006 | S | 52.2 | Low | 59.7 | Low | 62 Ų | 62 | 98.2 Ų | 98.2 | 43% | 0.434 | 49% | 0.488 | S | S | . | . | trans | -65.4 | 107 | -173.2 | 47.1 | 0 | 0 | 0 | 0 | 112.1 | A3958 E3992 S4004 | A3958-S4006 WeakPolarHBondContact CA-O 3.36Å; A3958-S4006 WeakPolarHBondContact CB-O 3.27Å; E3992-S4006 WeakPolarHBondContact OE2-CA 3.37Å; S4004-S4006 PolarHBondContact O-N 2.9Å | ||
| 4007 | G | 61.7 | Low | 62.2 | Low | 16.5 Ų | 16.5 | 94.1 Ų | 94.1 | 17% | 0.17 | 47% | 0.469 | C | S | . | . | trans | -77 | 168.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L3956 E3992 A4005 | L3956-G4007 CarbonylContact O-C 3.51Å; L3956-G4007 VanDerWaalsContact O-CA 3.22Å; L3956-G4007 WeakPolarHBondContact O-CA 3.45Å; E3992-G4007 WeakPolarHBondContact CB-O 3.39Å; E3992-G4007 PolarHBondContact N-O 2.83Å; E3992-G4007 VanDerWaalsContact N-O 3.13Å; E3992-G4007 PolarHBondContact OE2-N 3.18Å; E3992-G4007 VanDerWaalsContact OE2-N 3.11Å; A4005-G4007 PolarHBondContact O-N 3.12Å | ||
| 4008 | V | 73.2 | Confident | 64.6 | Low | 3 Ų | 3 | 89.9 Ų | 89.9 | 2% | 0.018 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 124.6 | 170.8 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | G3955 L3956 M3959 V3989 V3990 V4010 | G3955-V4008 CarbonylContact C-O 3.57Å; L3956-V4008 HydrophobicContact CB-CB 4.29Å; L3956-V4008 WeakPolarHBondContact CB-O 3.29Å; L3956-V4008 PolarHBondContact N-O 2.8Å; L3956-V4008 PolarHBondContact O-N 2.91Å; L3956-V4008 VanDerWaalsContact O-N 3.13Å; M3959-V4008 HydrophobicContact CG-CG2 4.18Å; M3959-V4008 VanDerWaalsContact O-CG2 3.31Å; M3959-V4008 WeakPolarHBondContact O-CG2 3.14Å; V3989-V4008 HydrophobicContact CG1-CG1 3.39Å; V3989-V4008 VanDerWaalsContact CG1-CG1 3.41Å; V3990-V4008 WeakPolarHBondContact O-CA 3.41Å; V4008-V4010 HydrophobicContact CG1-CG2 4.15Å |
| 4009 | F | 78.1 | Confident | 66.7 | Low | 87.5 Ų | 87.5 | 89.1 Ų | 89.1 | 38% | 0.384 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 127.3 | 173.4 | -173.3 | -95.4 | 0 | 0 | 0 | 109.9 | V3989 V3990 | V3989-F4009 CarbonylContact C-O 3.58Å; V3989-F4009 WeakPolarHBondContact CA-O 3.32Å; V3990-F4009 PolarHBondContact N-O 3.19Å; V3990-F4009 PolarHBondContact O-N 2.7Å |
| 4010 | V | 82.6 | Confident | 69.2 | Low | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.7 | -177.8 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | S3953 F3954 L3956 F3964 I3986 K3988 V4008 L4012 | S3953-V4010 CarbonylContact C-O 3.54Å; S3953-V4010 VanDerWaalsContact CA-O 3.27Å; S3953-V4010 WeakPolarHBondContact CA-O 3.49Å; F3954-V4010 HydrophobicContact CD2-CB 4.33Å; F3954-V4010 HydrophobicContact CE1-CB 4.45Å; F3954-V4010 HydrophobicContact CE1-CG1 4.3Å; F3954-V4010 HydrophobicContact CE2-CB 3.89Å; F3954-V4010 HydrophobicContact CE2-CG1 4.28Å; F3954-V4010 HydrophobicContact CE2-CG2 4.26Å; F3954-V4010 HydrophobicContact CZ-CB 3.97Å; F3954-V4010 HydrophobicContact CZ-CG1 3.87Å; F3954-V4010 PolarHBondContact N-O 3.13Å; F3954-V4010 PolarHBondContact O-N 3.37Å; L3956-V4010 HydrophobicContact CD1-CG2 3.66Å; L3956-V4010 HydrophobicContact CG-CG2 4.16Å; F3964-V4010 HydrophobicContact CD2-CG2 4.18Å; F3964-V4010 HydrophobicContact CE1-CG1 4.28Å; F3964-V4010 HydrophobicContact CE1-CG2 4.26Å; F3964-V4010 HydrophobicContact CE2-CB 4.47Å; F3964-V4010 HydrophobicContact CE2-CG1 4.18Å; F3964-V4010 HydrophobicContact CE2-CG2 3.73Å; F3964-V4010 HydrophobicContact CZ-CB 4.14Å; F3964-V4010 HydrophobicContact CZ-CG1 3.74Å; F3964-V4010 HydrophobicContact CZ-CG2 3.68Å; F3964-V4010 VanDerWaalsContact CZ-CG2 3.46Å; I3986-V4010 HydrophobicContact CG2-CG1 4.25Å; K3988-V4010 WeakPolarHBondContact O-CA 3.35Å; V4008-V4010 HydrophobicContact CG1-CG2 4.15Å; V4010-L4012 HydrophobicContact CG1-CD2 3.84Å; V4010-L4012 HydrophobicContact CG1-CG 4.21Å |
| 4011 | E | 85.9 | Confident | 71.8 | Confident | 32.5 Ų | 32.5 | 76.7 Ų | 76.7 | 15% | 0.152 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 121 | 168.2 | -175.8 | 171.5 | 116.6 | 0 | 0 | 109.4 | K3951 S3953 V3987 K3988 | K3951-E4011 HydrophobicContact CD-CG 4.44Å; K3951-E4011 WeakPolarHBondContact CD-OE1 3.45Å; K3951-E4011 IonicContact NZ-OE1 3.02Å; K3951-E4011 PolarHBondContact NZ-OE1 2.82Å; S3953-E4011 WeakPolarHBondContact OG-CG 3.21Å; S3953-E4011 PolarHBondContact OG-OE2 3.2Å; V3987-E4011 HydrophobicContact CG2-CB 3.87Å; V3987-E4011 HydrophobicContact CG2-CG 3.52Å; V3987-E4011 WeakPolarHBondContact CG2-O 3.47Å; V3987-E4011 WeakPolarHBondContact CG2-OE1 3.42Å; V3987-E4011 PolarHBondContact N-O 3.11Å; K3988-E4011 HydrophobicContact CB-CB 3.94Å; K3988-E4011 PolarHBondContact N-O 3.41Å; K3988-E4011 PolarHBondContact O-N 3.06Å |
| 4012 | L | 88.5 | Confident | 74.1 | Confident | 1.5 Ų | 1.5 | 66.8 Ų | 66.8 | 1% | 0.008 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 139 | 174.2 | -56 | -178.4 | 0 | 0 | 0 | 109.8 | K3951 V3952 F3954 V3969 L3973 R3985 I3986 V4010 | K3951-L4012 CarbonylContact C-O 3.57Å; K3951-L4012 VanDerWaalsContact CA-O 3.3Å; K3951-L4012 WeakPolarHBondContact CA-O 3.38Å; V3952-L4012 HydrophobicContact CB-CB 4.36Å; V3952-L4012 PolarHBondContact N-O 2.92Å; V3952-L4012 PolarHBondContact O-N 3.27Å; F3954-L4012 HydrophobicContact CE1-CD1 3.63Å; F3954-L4012 HydrophobicContact CE1-CG 3.87Å; F3954-L4012 HydrophobicContact CZ-CD1 4.09Å; F3954-L4012 HydrophobicContact CZ-CG 4.37Å; V3969-L4012 HydrophobicContact CG1-CD1 4.26Å; L3973-L4012 HydrophobicContact CD2-CD1 3.65Å; R3985-L4012 CarbonylContact O-C 3.55Å; R3985-L4012 WeakPolarHBondContact O-CA 3.2Å; I3986-L4012 HydrophobicContact CB-CD2 4.31Å; I3986-L4012 HydrophobicContact CD1-CD2 4.41Å; I3986-L4012 HydrophobicContact CG1-CD2 3.73Å; I3986-L4012 HydrophobicContact CG2-CD2 4.4Å; V4010-L4012 HydrophobicContact CG1-CD2 3.84Å; V4010-L4012 HydrophobicContact CG1-CG 4.21Å |
| 4013 | E | 89.1 | Confident | 75.6 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 9% | 0.089 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 125.8 | 169 | -123 | -167.3 | 157.7 | 0 | 0 | 110.2 | L3949 I3950 K3951 I3984 R3985 V3987 S4015 | L3949-E4013 HydrophobicContact CB-CG 3.98Å; L3949-E4013 HydrophobicContact CD1-CG 4.3Å; L3949-E4013 HydrophobicContact CD2-CG 4Å; L3949-E4013 HydrophobicContact CG-CG 4.33Å; I3950-E4013 CarbonylContact O-C 3.52Å; I3950-E4013 WeakPolarHBondContact O-CA 3.43Å; K3951-E4013 WeakPolarHBondContact CE-OE1 3.02Å; K3951-E4013 HydrophobicContact CG-CG 4.12Å; K3951-E4013 IonicContact NZ-OE1 2.74Å; I3984-E4013 CarbonylContact C-O 3.58Å; I3984-E4013 WeakPolarHBondContact CA-O 3.46Å; R3985-E4013 HydrophobicContact CB-CB 4.47Å; R3985-E4013 IonicContact CZ-OE1 2.8Å; R3985-E4013 IonicContact CZ-OE2 3.41Å; R3985-E4013 PolarHBondContact N-O 3.15Å; R3985-E4013 IonicContact NE-OE2 3.21Å; R3985-E4013 IonicContact NH2-OE1 3.27Å; R3985-E4013 PolarHBondContact NH2-OE1 3.04Å; R3985-E4013 IonicContact NH2-OE2 2.81Å; R3985-E4013 PolarHBondContact NH2-OE2 3.35Å; R3985-E4013 PolarHBondContact O-N 3.11Å; V3987-E4013 HydrophobicContact CB-CG 4.41Å; V3987-E4013 HydrophobicContact CG1-CB 3.83Å; V3987-E4013 HydrophobicContact CG1-CG 3.67Å; V3987-E4013 WeakPolarHBondContact CG1-OE2 3.36Å; V3987-E4013 HydrophobicContact CG2-CB 4.46Å; V3987-E4013 HydrophobicContact CG2-CG 3.87Å; E4013-S4015 WeakPolarHBondContact OE1-CB 3.32Å; E4013-S4015 PolarHBondContact OE1-OG 3.43Å |
| 4014 | I | 89.5 | Confident | 76.4 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 111.6 | 173 | -50 | 172.7 | 0 | 0 | 0 | 108.5 | L3949 I3950 V3952 L3973 L3977 I3979 N3983 I3984 I4037 I4040 V4044 | L3949-I4014 CarbonylContact C-O 3.56Å; L3949-I4014 VanDerWaalsContact CA-O 3.31Å; L3949-I4014 WeakPolarHBondContact CA-O 3.34Å; I3950-I4014 HydrophobicContact CB-CB 4.16Å; I3950-I4014 HydrophobicContact CD1-CB 4.26Å; I3950-I4014 HydrophobicContact CD1-CD1 4.46Å; I3950-I4014 HydrophobicContact CD1-CG2 4.41Å; I3950-I4014 PolarHBondContact N-O 3.26Å; I3950-I4014 PolarHBondContact O-N 3.27Å; V3952-I4014 HydrophobicContact CG2-CD1 4.26Å; L3973-I4014 HydrophobicContact CD2-CD1 4.44Å; L3977-I4014 HydrophobicContact CD1-CD1 3.71Å; I3979-I4014 HydrophobicContact CD1-CG2 3.51Å; N3983-I4014 CarbonylContact O-C 3.55Å; N3983-I4014 VanDerWaalsContact O-CA 3.28Å; N3983-I4014 WeakPolarHBondContact O-CA 3.34Å; I3984-I4014 HydrophobicContact CG1-CG1 4.33Å; I3984-I4014 HydrophobicContact CG1-CG2 4.46Å; I4014-I4037 HydrophobicContact CG2-CD1 4.28Å; I4014-I4040 HydrophobicContact CD1-CG2 4.47Å; I4014-I4040 HydrophobicContact CG2-CG2 4.13Å; I4014-V4044 HydrophobicContact CD1-CG2 3.88Å |
| 4015 | S | 88.7 | Confident | 76.9 | Confident | 1.5 Ų | 1.5 | 50 Ų | 50 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | trans | -158 | 154.3 | 177.7 | 60.9 | 0 | 0 | 0 | 0 | 110.9 | R3877 N3983 R3985 E4013 | R3877-S4015 PolarHBondContact NH1-OG 3.03Å; N3983-S4015 CarbonylContact C-O 3.39Å; N3983-S4015 WeakPolarHBondContact CA-O 3.42Å; N3983-S4015 WeakPolarHBondContact CB-O 3.21Å; N3983-S4015 PolarHBondContact O-N 2.94Å; N3983-S4015 VanDerWaalsContact O-O 3.06Å; R3985-S4015 PolarHBondContact NH2-OG 3.44Å; E4013-S4015 WeakPolarHBondContact OE1-CB 3.32Å; E4013-S4015 PolarHBondContact OE1-OG 3.43Å | ||
| 4016 | T | 85.7 | Confident | 77 | Confident | 92.5 Ų | 92.5 | 50.8 Ų | 50.8 | 57% | 0.567 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 131.7 | 172.4 | -53.8 | 0 | 0 | 0 | 0 | 109 | R3877 | R3877-T4016 PolarHBondContact NH1-O 3.24Å; R3877-T4016 PolarHBondContact NH2-O 3.17Å |
| 4017 | P | 84.7 | Confident | 76.7 | Confident | 50 Ų | 50 | 52.1 Ų | 52.1 | 33% | 0.325 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 153.6 | 175 | -26.3 | 34.4 | 0 | 0 | 0 | 112.6 | K3982 N3983 S4019 | K3982-P4017 HydrophobicContact CB-CG 4.5Å; K3982-P4017 HydrophobicContact CD-CG 4.39Å; K3982-P4017 HydrophobicContact CG-CG 4.35Å; K3982-P4017 WeakPolarHBondContact O-CG 3.35Å; N3983-P4017 VanDerWaalsContact OD1-CD 3.25Å; N3983-P4017 WeakPolarHBondContact OD1-CD 3.27Å; P4017-S4019 PolarHBondContact O-N 3.41Å |
| 4018 | P | 87.1 | Confident | 76.1 | Confident | 34.5 Ų | 34.5 | 54.4 Ų | 54.4 | 22% | 0.224 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 135.2 | 178.7 | -19.7 | 30.9 | 0 | 0 | 0 | 111 | D3879 Y3886 | D3879-P4018 WeakPolarHBondContact OD1-CG 3.23Å; Y3886-P4018 HydrophobicContact CD1-CB 3.99Å; Y3886-P4018 HydrophobicContact CD2-CB 3.64Å; Y3886-P4018 HydrophobicContact CD2-CG 4.27Å; Y3886-P4018 HydrophobicContact CE1-CB 3.94Å; Y3886-P4018 HydrophobicContact CE1-CG 3.98Å; Y3886-P4018 HydrophobicContact CE2-CB 3.59Å; Y3886-P4018 HydrophobicContact CE2-CG 3.68Å; Y3886-P4018 HydrophobicContact CG-CB 3.85Å |
| 4019 | S | 86.5 | Confident | 74.8 | Confident | 64.5 Ų | 64.5 | 61.2 Ų | 61.2 | 45% | 0.451 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 140.5 | 169.4 | -0.2 | 0 | 0 | 0 | 0 | 109.4 | Y3881 Y3886 P4017 N4021 | Y3881-S4019 VanDerWaalsContact CE1-O 3.24Å; Y3881-S4019 WeakPolarHBondContact CE1-O 3.32Å; Y3881-S4019 PolarHBondContact OH-O 3.1Å; Y3881-S4019 VanDerWaalsContact OH-O 3.08Å; Y3886-S4019 WeakPolarHBondContact CB-O 3.22Å; P4017-S4019 PolarHBondContact O-N 3.41Å; S4019-N4021 VanDerWaalsContact C-N 3.26Å; S4019-N4021 WeakPolarHBondContact CB-O 3.23Å; S4019-N4021 PolarHBondContact O-N 3.27Å; S4019-N4021 PolarHBondContact OG-O 2.84Å |
| 4020 | Q | 89.4 | Confident | 73.5 | Confident | 119.5 Ų | 119.5 | 60.9 Ų | 60.9 | 56% | 0.558 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -60.8 | -38.3 | 179.9 | -175 | 59.8 | 29.4 | 0 | 0 | 112 | V3885 Y3886 | V3885-Q4020 WeakPolarHBondContact CA-O 3.49Å; Y3886-Q4020 PolarHBondContact N-O 3.43Å |
| 4021 | N | 89.2 | Confident | 71.9 | Confident | 105.5 Ų | 105.5 | 66.4 Ų | 66.4 | 56% | 0.564 | 40% | 0.404 | S | S | * | . | B | Isolated β-bridge | trans | -121.1 | 143.1 | 176.9 | -61.2 | -37 | 0 | 0 | 0 | 110.1 | G3884 S4019 S4023 | G3884-N4021 CarbonylContact O-C 3.46Å; G3884-N4021 VanDerWaalsContact O-CA 3.25Å; G3884-N4021 WeakPolarHBondContact O-CA 3.34Å; S4019-N4021 VanDerWaalsContact C-N 3.26Å; S4019-N4021 WeakPolarHBondContact CB-O 3.23Å; S4019-N4021 PolarHBondContact O-N 3.27Å; S4019-N4021 PolarHBondContact OG-O 2.84Å; N4021-S4023 PolarHBondContact O-N 3.17Å |
| 4022 | I | 82.9 | Confident | 70.3 | Confident | 34.5 Ų | 34.5 | 70.8 Ų | 70.8 | 18% | 0.177 | 44% | 0.438 | C | S | . | . | trans | -97.9 | 137.8 | 167.7 | 133.2 | 169.4 | 0 | 0 | 0 | 108.9 | Y3881 G3884 T3943 | Y3881-I4022 HydrophobicContact CD1-CB 4.18Å; Y3881-I4022 HydrophobicContact CD1-CD1 3.89Å; Y3881-I4022 HydrophobicContact CD1-CG1 3.69Å; Y3881-I4022 HydrophobicContact CD1-CG2 4.15Å; Y3881-I4022 HydrophobicContact CD2-CD1 3.95Å; Y3881-I4022 HydrophobicContact CD2-CG1 4.41Å; Y3881-I4022 HydrophobicContact CE1-CB 4.19Å; Y3881-I4022 HydrophobicContact CE1-CD1 4.3Å; Y3881-I4022 HydrophobicContact CE1-CG1 4.05Å; Y3881-I4022 HydrophobicContact CE1-CG2 3.59Å; Y3881-I4022 HydrophobicContact CE2-CD1 4.31Å; Y3881-I4022 HydrophobicContact CE2-CG2 4.3Å; Y3881-I4022 HydrophobicContact CG-CB 4.28Å; Y3881-I4022 HydrophobicContact CG-CD1 3.96Å; Y3881-I4022 HydrophobicContact CG-CG1 3.9Å; G3884-I4022 VanDerWaalsContact CA-CG2 3.45Å; G3884-I4022 PolarHBondContact O-N 2.78Å; T3943-I4022 HydrophobicContact CG2-CD1 3.8Å | ||
| 4023 | S | 68.9 | Low | 68.7 | Low | 73.5 Ų | 73.5 | 73.8 Ų | 73.8 | 51% | 0.514 | 47% | 0.469 | S | S | . | . | trans | -79.2 | 132.4 | 170.2 | 45.3 | 0 | 0 | 0 | 0 | 109.4 | N4021 G4025 | N4021-S4023 PolarHBondContact O-N 3.17Å; S4023-G4025 PolarHBondContact O-N 3.07Å; S4023-G4025 VanDerWaalsContact O-N 3.1Å | ||
| 4024 | T | 56.3 | Low | 67.4 | Low | 104.5 Ų | 104.5 | 75.5 Ų | 75.5 | 64% | 0.641 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -78.1 | 51.1 | 177.7 | 47.6 | 0 | 0 | 0 | 0 | 111.9 | R3854 | R3854-T4024 PolarHBondContact NH1-O 2.96Š|
| 4025 | G | 49.9 | Very low | 66.6 | Low | 60.5 Ų | 60.5 | 76.4 Ų | 76.4 | 62% | 0.624 | 49% | 0.485 | S | S | * | . | S | Bend | trans | 147.1 | 47.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | S4023 | S4023-G4025 PolarHBondContact O-N 3.07Å; S4023-G4025 VanDerWaalsContact O-N 3.1Å |
| 4026 | V | 46 | Very low | 66.1 | Low | 103 Ų | 103 | 82.8 Ų | 82.8 | 62% | 0.624 | 51% | 0.512 | S | S | * | . | trans | -113.1 | 117.7 | 165.4 | -171.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 4027 | T | 47.2 | Very low | 66 | Low | 90 Ų | 90 | 79.3 Ų | 79.3 | 55% | 0.552 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 129.7 | 164.4 | 35.9 | 0 | 0 | 0 | 0 | 109 | N4029 | T4027-N4029 PolarHBondContact O-N 3.02Š|
| 4028 | P | 48.8 | Very low | 65.9 | Low | 63.5 Ų | 63.5 | 77.9 Ų | 77.9 | 41% | 0.412 | 48% | 0.479 | S | S | . | . | trans | -58 | 132.7 | 176.6 | -15.4 | 25.3 | 0 | 0 | 0 | 109.8 | V4030 L4072 | P4028-V4030 HydrophobicContact CB-CG2 4.15Å; P4028-V4030 PolarHBondContact O-N 3.23Å; P4028-L4072 HydrophobicContact CB-CD1 3.58Å; P4028-L4072 HydrophobicContact CG-CD1 3.27Å | ||
| 4029 | N | 46.6 | Very low | 65.6 | Low | 146.5 Ų | 146.5 | 80.4 Ų | 80.4 | 78% | 0.783 | 49% | 0.487 | S | S | * | . | P | Polyproline II helix | trans | -65.9 | 103.8 | 167.6 | -85 | -4.9 | 0 | 0 | 0 | 108.3 | T4027 T4031 | T4027-N4029 PolarHBondContact O-N 3.02Å; N4029-T4031 PolarHBondContact O-N 3.32Å |
| 4030 | V | 50.8 | Low | 65.6 | Low | 81.5 Ų | 81.5 | 77.8 Ų | 77.8 | 49% | 0.494 | 47% | 0.468 | S | S | . | . | trans | -77 | 106.7 | 172.7 | -175.2 | 0 | 0 | 0 | 0 | 107.5 | P3785 P4028 | P3785-V4030 HydrophobicContact CB-CG2 3.82Å; P3785-V4030 HydrophobicContact CG-CG2 3.74Å; P4028-V4030 HydrophobicContact CB-CG2 4.15Å; P4028-V4030 PolarHBondContact O-N 3.23Å | ||
| 4031 | T | 48.8 | Very low | 65.5 | Low | 115 Ų | 115 | 72.5 Ų | 72.5 | 71% | 0.706 | 44% | 0.444 | S | S | * | . | trans | -91.2 | 128.9 | 171.4 | -29.9 | 0 | 0 | 0 | 0 | 107.9 | N4029 G4033 L4034 | N4029-T4031 PolarHBondContact O-N 3.32Å; T4031-G4033 VanDerWaalsContact C-N 3.27Å; T4031-G4033 PolarHBondContact O-N 3.3Å; T4031-L4034 PolarHBondContact N-O 2.76Å; T4031-L4034 PolarHBondContact O-N 2.8Å | ||
| 4032 | S | 51 | Low | 65.2 | Low | 124.5 Ų | 124.5 | 68.1 Ų | 68.1 | 87% | 0.871 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -6.6 | 74.9 | 175.4 | 4.4 | 0 | 0 | 0 | 0 | 112.8 | L4034 | S4032-L4034 VanDerWaalsContact C-N 3.35Å; S4032-L4034 PolarHBondContact O-N 2.79Å |
| 4033 | G | 56.1 | Low | 65.3 | Low | 64.5 Ų | 64.5 | 69.3 Ų | 69.3 | 67% | 0.665 | 43% | 0.429 | S | S | * | . | S | Bend | trans | 110.3 | -93.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | T4031 | T4031-G4033 VanDerWaalsContact C-N 3.27Å; T4031-G4033 PolarHBondContact O-N 3.3Å |
| 4034 | L | 61.1 | Low | 66.2 | Low | 56 Ų | 56 | 65.9 Ų | 65.9 | 29% | 0.293 | 41% | 0.405 | S | S | . | . | B | Isolated β-bridge | trans | -92.9 | 145.4 | 174.8 | -67.6 | 172 | 0 | 0 | 0 | 110.8 | T4031 S4032 E4038 E4039 | T4031-L4034 PolarHBondContact N-O 2.76Å; T4031-L4034 PolarHBondContact O-N 2.8Å; S4032-L4034 VanDerWaalsContact C-N 3.35Å; S4032-L4034 PolarHBondContact O-N 2.79Å; L4034-E4038 WeakPolarHBondContact CA-OE2 3.34Å; L4034-E4038 HydrophobicContact CB-CB 4.15Å; L4034-E4038 HydrophobicContact CD2-CB 3.87Å; L4034-E4038 HydrophobicContact CD2-CG 4.5Å; L4034-E4038 HydrophobicContact CG-CB 4.44Å; L4034-E4039 HydrophobicContact CB-CG 4.02Å |
| 4035 | T | 71.8 | Confident | 67.7 | Low | 19.5 Ų | 19.5 | 61.1 Ų | 61.1 | 12% | 0.12 | 38% | 0.375 | C | S | . | . | trans | -69.6 | 155.6 | 165.4 | 61.9 | 0 | 0 | 0 | 0 | 110.3 | Q3948 I4037 E4038 E4039 L4072 | Q3948-T4035 PolarHBondContact OE1-OG1 3.48Å; T4035-I4037 PolarHBondContact O-N 2.84Å; T4035-I4037 VanDerWaalsContact O-N 3.14Å; T4035-I4037 WeakPolarHBondContact OG1-CG2 3.44Å; T4035-E4038 WeakPolarHBondContact CB-OE2 3.4Å; T4035-E4038 WeakPolarHBondContact CG2-OE2 3.43Å; T4035-E4038 PolarHBondContact N-OE2 2.75Å; T4035-E4038 PolarHBondContact O-N 3.32Å; T4035-E4038 VanDerWaalsContact O-N 3.11Å; T4035-E4038 WeakPolarHBondContact OG1-CB 3.33Å; T4035-E4038 WeakPolarHBondContact OG1-CG 3.3Å; T4035-E4038 PolarHBondContact OG1-N 3.13Å; T4035-E4038 PolarHBondContact OG1-OE2 3.09Å; T4035-E4039 PolarHBondContact O-N 2.7Å; T4035-E4039 VanDerWaalsContact O-N 3.13Å; T4035-L4072 HydrophobicContact CG2-CD1 3.39Å; T4035-L4072 HydrophobicContact CG2-CG 3.87Å | ||
| 4036 | K | 78.4 | Confident | 69.3 | Low | 136 Ų | 136 | 58.6 Ų | 58.6 | 59% | 0.591 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -55.2 | -32.4 | 176.8 | -171.6 | 115.6 | -172.5 | 169 | 0 | 112.8 | E4039 I4040 | K4036-E4039 WeakPolarHBondContact CD-OE2 3.08Å; K4036-E4039 IonicContact NZ-OE1 3.15Å; K4036-E4039 IonicContact NZ-OE2 2.8Å; K4036-E4039 PolarHBondContact NZ-OE2 2.79Å; K4036-I4040 HydrophobicContact CG-CD1 4.27Å; K4036-I4040 WeakPolarHBondContact O-CD1 3.24Å; K4036-I4040 VanDerWaalsContact O-CG1 3.24Å; K4036-I4040 WeakPolarHBondContact O-CG1 3.4Å; K4036-I4040 PolarHBondContact O-N 3Å; K4036-I4040 VanDerWaalsContact O-N 3.14Å |
| 4037 | I | 84.5 | Confident | 71.3 | Confident | 17.5 Ų | 17.5 | 53.7 Ų | 53.7 | 9% | 0.09 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -76.6 | -33.1 | 178.5 | -162.7 | 68.4 | 0 | 0 | 0 | 112.6 | Q3948 I3950 I4014 T4035 E4039 I4040 S4041 P4069 | Q3948-I4037 HydrophobicContact CB-CG2 3.76Å; Q3948-I4037 HydrophobicContact CG-CG2 4.3Å; Q3948-I4037 VanDerWaalsContact OE1-CG2 3.23Å; I3950-I4037 HydrophobicContact CD1-CD1 3.75Å; I3950-I4037 HydrophobicContact CD1-CG1 3.99Å; I3950-I4037 HydrophobicContact CG1-CD1 4.16Å; I3950-I4037 HydrophobicContact CG1-CG1 4.06Å; I4014-I4037 HydrophobicContact CG2-CD1 4.28Å; T4035-I4037 PolarHBondContact O-N 2.84Å; T4035-I4037 VanDerWaalsContact O-N 3.14Å; T4035-I4037 WeakPolarHBondContact OG1-CG2 3.44Å; I4037-E4039 VanDerWaalsContact C-N 3.34Å; I4037-I4040 HydrophobicContact CD1-CD1 4.14Å; I4037-I4040 PolarHBondContact O-N 2.98Å; I4037-S4041 WeakPolarHBondContact O-CB 3.44Å; I4037-S4041 PolarHBondContact O-N 2.86Å; I4037-P4069 HydrophobicContact CG1-CB 4.34Å; I4037-P4069 HydrophobicContact CG2-CB 4.02Å; I4037-P4069 HydrophobicContact CG2-CG 4.3Å |
| 4038 | E | 81.5 | Confident | 73.1 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.6 | -34.9 | 172.9 | -71.9 | 159.2 | 161.1 | 0 | 0 | 111.7 | L4034 T4035 S4041 S4042 P4069 | L4034-E4038 WeakPolarHBondContact CA-OE2 3.34Å; L4034-E4038 HydrophobicContact CB-CB 4.15Å; L4034-E4038 HydrophobicContact CD2-CB 3.87Å; L4034-E4038 HydrophobicContact CD2-CG 4.5Å; L4034-E4038 HydrophobicContact CG-CB 4.44Å; T4035-E4038 WeakPolarHBondContact CB-OE2 3.4Å; T4035-E4038 WeakPolarHBondContact CG2-OE2 3.43Å; T4035-E4038 PolarHBondContact N-OE2 2.75Å; T4035-E4038 PolarHBondContact O-N 3.32Å; T4035-E4038 VanDerWaalsContact O-N 3.11Å; T4035-E4038 WeakPolarHBondContact OG1-CB 3.33Å; T4035-E4038 WeakPolarHBondContact OG1-CG 3.3Å; T4035-E4038 PolarHBondContact OG1-N 3.13Å; T4035-E4038 PolarHBondContact OG1-OE2 3.09Å; E4038-S4041 PolarHBondContact O-N 2.97Å; E4038-S4042 PolarHBondContact O-N 3.21Å; E4038-S4042 VanDerWaalsContact O-N 3.08Å; E4038-S4042 PolarHBondContact O-OG 3.36Å; E4038-P4069 HydrophobicContact CB-CG 4.46Å; E4038-P4069 HydrophobicContact CG-CG 3.81Å |
| 4039 | E | 81.9 | Confident | 75 | Confident | 87 Ų | 87 | 46.7 Ų | 46.7 | 41% | 0.407 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.3 | -46.3 | 169.6 | -117.9 | -175.2 | 175.4 | 0 | 0 | 111.3 | L4034 T4035 K4036 I4037 S4041 S4042 N4043 | L4034-E4039 HydrophobicContact CB-CG 4.02Å; T4035-E4039 PolarHBondContact O-N 2.7Å; T4035-E4039 VanDerWaalsContact O-N 3.13Å; K4036-E4039 WeakPolarHBondContact CD-OE2 3.08Å; K4036-E4039 IonicContact NZ-OE1 3.15Å; K4036-E4039 IonicContact NZ-OE2 2.8Å; K4036-E4039 PolarHBondContact NZ-OE2 2.79Å; I4037-E4039 VanDerWaalsContact C-N 3.34Å; E4039-S4041 VanDerWaalsContact C-N 3.34Å; E4039-S4041 PolarHBondContact O-N 3.13Å; E4039-S4042 WeakPolarHBondContact O-CB 3.36Å; E4039-S4042 PolarHBondContact O-N 2.79Å; E4039-N4043 PolarHBondContact O-N 2.96Å |
| 4040 | I | 86.4 | Confident | 76.8 | Confident | 10.5 Ų | 10.5 | 40.3 Ų | 40.3 | 5% | 0.054 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 176.1 | -66.7 | 157.6 | 0 | 0 | 0 | 110.9 | I3950 L3977 I3979 I4014 K4036 I4037 S4042 N4043 V4044 | I3950-I4040 HydrophobicContact CD1-CB 4.07Å; I3950-I4040 HydrophobicContact CD1-CG2 3.7Å; L3977-I4040 HydrophobicContact CD1-CG2 4.1Å; I3979-I4040 HydrophobicContact CD1-CG2 4.44Å; I3979-I4040 HydrophobicContact CG2-CD1 3.54Å; I3979-I4040 VanDerWaalsContact CG2-CD1 3.48Å; I3979-I4040 HydrophobicContact CG2-CG1 3.95Å; I4014-I4040 HydrophobicContact CD1-CG2 4.47Å; I4014-I4040 HydrophobicContact CG2-CG2 4.13Å; K4036-I4040 HydrophobicContact CG-CD1 4.27Å; K4036-I4040 WeakPolarHBondContact O-CD1 3.24Å; K4036-I4040 VanDerWaalsContact O-CG1 3.24Å; K4036-I4040 WeakPolarHBondContact O-CG1 3.4Å; K4036-I4040 PolarHBondContact O-N 3Å; K4036-I4040 VanDerWaalsContact O-N 3.14Å; I4037-I4040 HydrophobicContact CD1-CD1 4.14Å; I4037-I4040 PolarHBondContact O-N 2.98Å; I4040-S4042 VanDerWaalsContact C-N 3.26Å; I4040-S4042 PolarHBondContact O-N 3.13Å; I4040-N4043 WeakPolarHBondContact O-CB 3.16Å; I4040-N4043 PolarHBondContact O-N 2.88Å; I4040-N4043 VanDerWaalsContact O-N 3.14Å; I4040-V4044 HydrophobicContact CG2-CG2 4.41Å; I4040-V4044 WeakPolarHBondContact O-CG2 3.45Å; I4040-V4044 PolarHBondContact O-N 3.14Å |
| 4041 | S | 87.2 | Confident | 78.1 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.7 | -41.9 | 177.3 | -174.3 | 0 | 0 | 0 | 0 | 111.5 | I4037 E4038 E4039 V4044 V4045 P4069 | I4037-S4041 WeakPolarHBondContact O-CB 3.44Å; I4037-S4041 PolarHBondContact O-N 2.86Å; E4038-S4041 PolarHBondContact O-N 2.97Å; E4039-S4041 VanDerWaalsContact C-N 3.34Å; E4039-S4041 PolarHBondContact O-N 3.13Å; S4041-V4044 PolarHBondContact O-N 2.91Å; S4041-V4045 WeakPolarHBondContact O-CG2 3.49Å; S4041-V4045 PolarHBondContact O-N 3.02Å; S4041-P4069 WeakPolarHBondContact OG-CD 3.44Å |
| 4042 | S | 83.5 | Confident | 79.7 | Confident | 13.5 Ų | 13.5 | 34.5 Ų | 34.5 | 9% | 0.094 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66 | -38 | 176.7 | -62 | 0 | 0 | 0 | 0 | 113.1 | E4038 E4039 I4040 V4044 V4045 T4046 S4139 S4141 | E4038-S4042 PolarHBondContact O-N 3.21Å; E4038-S4042 VanDerWaalsContact O-N 3.08Å; E4038-S4042 PolarHBondContact O-OG 3.36Å; E4039-S4042 WeakPolarHBondContact O-CB 3.36Å; E4039-S4042 PolarHBondContact O-N 2.79Å; I4040-S4042 VanDerWaalsContact C-N 3.26Å; I4040-S4042 PolarHBondContact O-N 3.13Å; S4042-V4044 VanDerWaalsContact C-N 3.34Å; S4042-V4045 PolarHBondContact O-N 2.98Å; S4042-T4046 PolarHBondContact O-N 2.82Å; S4042-T4046 VanDerWaalsContact O-N 3.08Å; S4042-T4046 PolarHBondContact O-OG1 3Å; S4042-S4139 VanDerWaalsContact CB-OG 3.3Å; S4042-S4139 WeakPolarHBondContact CB-OG 3.25Å; S4042-S4139 WeakPolarHBondContact OG-CB 3.45Å; S4042-S4139 PolarHBondContact OG-OG 3.37Å; S4042-S4141 WeakPolarHBondContact CB-OG 3.29Å; S4042-S4141 PolarHBondContact OG-OG 3.01Å |
| 4043 | N | 85.2 | Confident | 81.3 | Confident | 59.5 Ų | 59.5 | 29 Ų | 29 | 32% | 0.318 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67.2 | -36.1 | 174 | -68.7 | -15.2 | 0 | 0 | 0 | 112 | L3977 E4039 I4040 T4046 L4047 | L3977-N4043 HydrophobicContact CD2-CB 3.94Å; E4039-N4043 PolarHBondContact O-N 2.96Å; I4040-N4043 WeakPolarHBondContact O-CB 3.16Å; I4040-N4043 PolarHBondContact O-N 2.88Å; I4040-N4043 VanDerWaalsContact O-N 3.14Å; N4043-T4046 PolarHBondContact O-N 3.31Å; N4043-L4047 WeakPolarHBondContact O-CB 3.39Å; N4043-L4047 PolarHBondContact O-N 3.12Å |
| 4044 | V | 87.5 | Confident | 82.4 | Confident | 2.5 Ų | 2.5 | 29.9 Ų | 29.9 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.6 | -44.1 | 174.7 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | V3952 L3977 I4014 I4040 S4041 S4042 T4046 L4047 I4048 I4066 | V3952-V4044 HydrophobicContact CG1-CG1 4.4Å; V3952-V4044 HydrophobicContact CG2-CG1 3.75Å; L3977-V4044 HydrophobicContact CD1-CG2 3.84Å; L3977-V4044 HydrophobicContact CD2-CG2 3.77Å; L3977-V4044 HydrophobicContact CG-CG2 4.47Å; I4014-V4044 HydrophobicContact CD1-CG2 3.88Å; I4040-V4044 HydrophobicContact CG2-CG2 4.41Å; I4040-V4044 WeakPolarHBondContact O-CG2 3.45Å; I4040-V4044 PolarHBondContact O-N 3.14Å; S4041-V4044 PolarHBondContact O-N 2.91Å; S4042-V4044 VanDerWaalsContact C-N 3.34Å; V4044-T4046 VanDerWaalsContact C-N 3.3Å; V4044-T4046 PolarHBondContact O-N 2.88Å; V4044-L4047 WeakPolarHBondContact O-CB 3.27Å; V4044-L4047 PolarHBondContact O-N 3.06Å; V4044-I4048 HydrophobicContact CG1-CD1 3.88Å; V4044-I4048 WeakPolarHBondContact O-CD1 3.34Å; V4044-I4048 WeakPolarHBondContact O-CG1 3.38Å; V4044-I4048 PolarHBondContact O-N 2.95Å; V4044-I4048 VanDerWaalsContact O-N 3.09Å; V4044-I4066 HydrophobicContact CB-CD1 4.34Å; V4044-I4066 HydrophobicContact CG1-CD1 3.66Å; V4044-I4066 HydrophobicContact CG1-CG1 4.31Å |
| 4045 | V | 86.6 | Confident | 83.4 | Confident | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.024 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.2 | -46.4 | 174 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | S4041 S4042 L4047 I4048 Q4049 I4066 I4095 | S4041-V4045 WeakPolarHBondContact O-CG2 3.49Å; S4041-V4045 PolarHBondContact O-N 3.02Å; S4042-V4045 PolarHBondContact O-N 2.98Å; V4045-L4047 PolarHBondContact O-N 3.01Å; V4045-I4048 PolarHBondContact O-N 3.19Å; V4045-Q4049 HydrophobicContact CG1-CG 4.29Å; V4045-Q4049 WeakPolarHBondContact O-CG 3.08Å; V4045-Q4049 PolarHBondContact O-N 3.04Å; V4045-I4066 HydrophobicContact CB-CD1 4.47Å; V4045-I4066 HydrophobicContact CG2-CD1 3.62Å; V4045-I4095 HydrophobicContact CG1-CG2 4.44Å; V4045-I4095 HydrophobicContact CG2-CD1 4.28Å |
| 4046 | T | 85.1 | Confident | 83.9 | Confident | 9 Ų | 9 | 32.3 Ų | 32.3 | 6% | 0.055 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 177.8 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | S4042 N4043 V4044 I4048 Q4049 T4050 S4142 P4195 | S4042-T4046 PolarHBondContact O-N 2.82Å; S4042-T4046 VanDerWaalsContact O-N 3.08Å; S4042-T4046 PolarHBondContact O-OG1 3Å; N4043-T4046 PolarHBondContact O-N 3.31Å; V4044-T4046 VanDerWaalsContact C-N 3.3Å; V4044-T4046 PolarHBondContact O-N 2.88Å; T4046-I4048 VanDerWaalsContact C-N 3.28Å; T4046-I4048 PolarHBondContact O-N 2.87Å; T4046-Q4049 PolarHBondContact O-N 3.16Å; T4046-T4050 HydrophobicContact CG2-CG2 4.21Å; T4046-T4050 WeakPolarHBondContact O-CB 3.47Å; T4046-T4050 VanDerWaalsContact O-CG2 3.25Å; T4046-T4050 WeakPolarHBondContact O-CG2 3.31Å; T4046-T4050 PolarHBondContact O-N 3.09Å; T4046-T4050 PolarHBondContact O-OG1 3.21Å; T4046-S4142 WeakPolarHBondContact OG1-CB 3.47Å; T4046-S4142 PolarHBondContact OG1-OG 3.14Å; T4046-P4195 HydrophobicContact CG2-CB 4.41Å; T4046-P4195 HydrophobicContact CG2-CG 4.25Å |
| 4047 | L | 86.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57 | -39.2 | 177.8 | 176.8 | 66.7 | 0 | 0 | 0 | 112.5 | L3973 Y3976 N4043 V4044 V4045 T4050 L4052 L4053 V4056 | L3973-L4047 HydrophobicContact CD1-CD2 3.61Å; Y3976-L4047 HydrophobicContact CD1-CB 4.45Å; Y3976-L4047 HydrophobicContact CD1-CD1 3.85Å; Y3976-L4047 HydrophobicContact CD1-CD2 3.94Å; Y3976-L4047 HydrophobicContact CD1-CG 4.31Å; Y3976-L4047 HydrophobicContact CD2-CD1 4.18Å; Y3976-L4047 HydrophobicContact CE1-CB 3.76Å; Y3976-L4047 HydrophobicContact CE1-CD1 3.5Å; Y3976-L4047 VanDerWaalsContact CE1-CD1 3.44Å; Y3976-L4047 HydrophobicContact CE1-CD2 4.07Å; Y3976-L4047 HydrophobicContact CE1-CG 3.97Å; Y3976-L4047 HydrophobicContact CE2-CD1 3.84Å; Y3976-L4047 HydrophobicContact CG-CD1 4.18Å; Y3976-L4047 VanDerWaalsContact CZ-CD1 3.42Å; N4043-L4047 WeakPolarHBondContact O-CB 3.39Å; N4043-L4047 PolarHBondContact O-N 3.12Å; V4044-L4047 WeakPolarHBondContact O-CB 3.27Å; V4044-L4047 PolarHBondContact O-N 3.06Å; V4045-L4047 PolarHBondContact O-N 3.01Å; L4047-T4050 PolarHBondContact O-OG1 2.82Å; L4047-L4052 HydrophobicContact CD1-CB 3.58Å; L4047-L4052 PolarHBondContact O-N 3.33Å; L4047-L4053 HydrophobicContact CD2-CD1 3.65Å; L4047-L4053 HydrophobicContact CG-CB 4.07Å; L4047-L4053 HydrophobicContact CG-CD1 4.15Å; L4047-L4053 PolarHBondContact O-N 3.05Å; L4047-L4053 VanDerWaalsContact O-N 3.08Å; L4047-V4056 HydrophobicContact CD1-CB 4.2Å; L4047-V4056 HydrophobicContact CD1-CG2 3.55Å |
| 4048 | I | 86.6 | Confident | 83.5 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -74.4 | -48.7 | 178.5 | -67.6 | 152.3 | 0 | 0 | 0 | 111 | V4044 V4045 T4046 T4050 G4051 L4053 V4064 I4066 I4095 I4097 | V4044-I4048 HydrophobicContact CG1-CD1 3.88Å; V4044-I4048 WeakPolarHBondContact O-CD1 3.34Å; V4044-I4048 WeakPolarHBondContact O-CG1 3.38Å; V4044-I4048 PolarHBondContact O-N 2.95Å; V4044-I4048 VanDerWaalsContact O-N 3.09Å; V4045-I4048 PolarHBondContact O-N 3.19Å; T4046-I4048 VanDerWaalsContact C-N 3.28Å; T4046-I4048 PolarHBondContact O-N 2.87Å; I4048-T4050 VanDerWaalsContact C-N 3.28Å; I4048-T4050 PolarHBondContact O-N 2.94Å; I4048-G4051 PolarHBondContact O-N 2.94Å; I4048-L4053 HydrophobicContact CG1-CB 4.4Å; I4048-L4053 HydrophobicContact CG1-CD2 3.93Å; I4048-V4064 HydrophobicContact CD1-CB 4.14Å; I4048-V4064 HydrophobicContact CD1-CG1 3.41Å; I4048-V4064 VanDerWaalsContact CD1-CG1 3.41Å; I4048-V4064 HydrophobicContact CG1-CB 4.29Å; I4048-V4064 HydrophobicContact CG1-CG1 3.9Å; I4048-V4064 HydrophobicContact CG1-CG2 4.38Å; I4048-V4064 HydrophobicContact CG2-CB 4.1Å; I4048-V4064 HydrophobicContact CG2-CG2 4.22Å; I4048-I4066 HydrophobicContact CD1-CD1 3.58Å; I4048-I4066 HydrophobicContact CD1-CG1 3.9Å; I4048-I4095 HydrophobicContact CB-CG2 4.08Å; I4048-I4095 HydrophobicContact CD1-CB 4.49Å; I4048-I4095 HydrophobicContact CD1-CG1 4.46Å; I4048-I4095 HydrophobicContact CG2-CB 3.98Å; I4048-I4095 HydrophobicContact CG2-CG2 3.63Å; I4048-I4097 HydrophobicContact CG2-CG1 4.27Å |
| 4049 | Q | 87.1 | Confident | 83.2 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70 | -24.2 | -174.5 | -67.6 | -168.3 | -41.2 | 0 | 0 | 113.8 | V4045 T4046 G4051 I4095 Q4096 P4098 P4136 G4138 W4144 | V4045-Q4049 HydrophobicContact CG1-CG 4.29Å; V4045-Q4049 WeakPolarHBondContact O-CG 3.08Å; V4045-Q4049 PolarHBondContact O-N 3.04Å; T4046-Q4049 PolarHBondContact O-N 3.16Å; Q4049-G4051 VanDerWaalsContact C-N 3.26Å; Q4049-I4095 HydrophobicContact CG-CG2 3.67Å; Q4049-Q4096 PolarHBondContact NE2-O 2.9Å; Q4049-P4098 HydrophobicContact CB-CG 4.33Å; Q4049-P4098 WeakPolarHBondContact O-CD 3.37Å; Q4049-P4136 PolarHBondContact NE2-O 2.66Å; Q4049-G4138 VanDerWaalsContact OE1-CA 3.31Å; Q4049-W4144 HydrophobicContact CB-CH2 4.47Å; Q4049-W4144 HydrophobicContact CB-CZ2 3.77Å; Q4049-W4144 VanDerWaalsContact OE1-NE1 3.16Å |
| 4050 | T | 84.4 | Confident | 82.9 | Confident | 13.5 Ų | 13.5 | 32 Ų | 32 | 8% | 0.083 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | -5.2 | 172.1 | 55.7 | 0 | 0 | 0 | 0 | 113.1 | T4046 L4047 I4048 L4052 W4144 P4195 E4197 S4198 T4199 | T4046-T4050 HydrophobicContact CG2-CG2 4.21Å; T4046-T4050 WeakPolarHBondContact O-CB 3.47Å; T4046-T4050 VanDerWaalsContact O-CG2 3.25Å; T4046-T4050 WeakPolarHBondContact O-CG2 3.31Å; T4046-T4050 PolarHBondContact O-N 3.09Å; T4046-T4050 PolarHBondContact O-OG1 3.21Å; L4047-T4050 PolarHBondContact O-OG1 2.82Å; I4048-T4050 VanDerWaalsContact C-N 3.28Å; I4048-T4050 PolarHBondContact O-N 2.94Å; T4050-L4052 PolarHBondContact O-N 3.24Å; T4050-L4052 WeakPolarHBondContact OG1-CB 3.29Å; T4050-L4052 WeakPolarHBondContact OG1-CD1 3.44Å; T4050-L4052 VanDerWaalsContact OG1-CG 3.29Å; T4050-L4052 WeakPolarHBondContact OG1-CG 3.42Å; T4050-W4144 HydrophobicContact CG2-CZ2 4.36Å; T4050-P4195 HydrophobicContact CG2-CB 4.48Å; T4050-P4195 HydrophobicContact CG2-CG 3.58Å; T4050-E4197 HydrophobicContact CG2-CB 4.47Å; T4050-S4198 WeakPolarHBondContact CB-OG 3.44Å; T4050-S4198 WeakPolarHBondContact CG2-OG 3.34Å; T4050-T4199 WeakPolarHBondContact CB-OG1 3.22Å; T4050-T4199 PolarHBondContact O-OG1 2.87Å |
| 4051 | G | 78.7 | Confident | 82.4 | Confident | 31 Ų | 31 | 32.4 Ų | 32.4 | 32% | 0.32 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 7.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114 | I4048 Q4049 L4053 | I4048-G4051 PolarHBondContact O-N 2.94Å; Q4049-G4051 VanDerWaalsContact C-N 3.26Å; G4051-L4053 VanDerWaalsContact C-N 3.31Å; G4051-L4053 PolarHBondContact O-N 3.23Å |
| 4052 | L | 83.5 | Confident | 81.7 | Confident | 44 Ų | 44 | 36.9 Ų | 36.9 | 23% | 0.23 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -75 | -19.1 | -177.8 | -73 | 177.2 | 0 | 0 | 0 | 113.1 | Y3976 L4047 T4050 E4054 T4055 V4056 E4197 | Y3976-L4052 HydrophobicContact CE2-CD1 4.18Å; L4047-L4052 HydrophobicContact CD1-CB 3.58Å; L4047-L4052 PolarHBondContact O-N 3.33Å; T4050-L4052 PolarHBondContact O-N 3.24Å; T4050-L4052 WeakPolarHBondContact OG1-CB 3.29Å; T4050-L4052 WeakPolarHBondContact OG1-CD1 3.44Å; T4050-L4052 VanDerWaalsContact OG1-CG 3.29Å; T4050-L4052 WeakPolarHBondContact OG1-CG 3.42Å; L4052-E4054 VanDerWaalsContact C-N 3.3Å; L4052-E4054 PolarHBondContact O-N 3.22Å; L4052-T4055 WeakPolarHBondContact O-CA 3.41Å; L4052-T4055 WeakPolarHBondContact O-CB 3.27Å; L4052-T4055 PolarHBondContact O-N 2.95Å; L4052-T4055 VanDerWaalsContact O-N 3.08Å; L4052-V4056 WeakPolarHBondContact O-CG2 3.39Å; L4052-V4056 PolarHBondContact O-N 3.04Å; L4052-E4197 HydrophobicContact CD1-CB 3.71Å; L4052-E4197 HydrophobicContact CD1-CG 4.24Å; L4052-E4197 HydrophobicContact CG-CB 4.5Å |
| 4053 | L | 83.9 | Confident | 81.2 | Confident | 8.5 Ų | 8.5 | 38.9 Ų | 38.9 | 5% | 0.045 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -52.5 | -49.2 | 179.7 | -178.7 | 65.7 | 0 | 0 | 0 | 111.3 | L4047 I4048 G4051 T4055 V4056 I4057 V4061 V4064 | L4047-L4053 HydrophobicContact CD2-CD1 3.65Å; L4047-L4053 HydrophobicContact CG-CB 4.07Å; L4047-L4053 HydrophobicContact CG-CD1 4.15Å; L4047-L4053 PolarHBondContact O-N 3.05Å; L4047-L4053 VanDerWaalsContact O-N 3.08Å; I4048-L4053 HydrophobicContact CG1-CB 4.4Å; I4048-L4053 HydrophobicContact CG1-CD2 3.93Å; G4051-L4053 VanDerWaalsContact C-N 3.31Å; G4051-L4053 PolarHBondContact O-N 3.23Å; L4053-T4055 VanDerWaalsContact C-N 3.27Å; L4053-T4055 PolarHBondContact O-N 3Å; L4053-V4056 PolarHBondContact O-N 2.9Å; L4053-V4056 VanDerWaalsContact O-N 3.09Å; L4053-I4057 HydrophobicContact CD1-CG2 3.92Å; L4053-I4057 WeakPolarHBondContact O-CG1 3.28Å; L4053-I4057 PolarHBondContact O-N 2.82Å; L4053-V4061 HydrophobicContact CD2-CG1 4.25Å; L4053-V4061 HydrophobicContact CD2-CG2 4.25Å; L4053-V4061 HydrophobicContact CG-CG2 4.43Å; L4053-V4064 HydrophobicContact CD2-CG1 4.36Å; L4053-V4064 HydrophobicContact CD2-CG2 3.73Å |
| 4054 | E | 79.9 | Confident | 81.1 | Confident | 83 Ų | 83 | 36.5 Ų | 36.5 | 39% | 0.388 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.1 | -38.7 | 179.8 | -59.9 | -166.6 | 139.8 | 0 | 0 | 112.2 | L4052 N4058 T4059 T4060 V4061 | L4052-E4054 VanDerWaalsContact C-N 3.3Å; L4052-E4054 PolarHBondContact O-N 3.22Å; E4054-N4058 WeakPolarHBondContact O-CA 3.24Å; E4054-N4058 PolarHBondContact O-N 2.98Å; E4054-T4059 WeakPolarHBondContact CA-O 3.26Å; E4054-T4059 WeakPolarHBondContact CB-O 3.41Å; E4054-T4059 PolarHBondContact O-N 3.13Å; E4054-T4060 WeakPolarHBondContact OE1-CG2 3.25Å; E4054-V4061 HydrophobicContact CG-CB 4.17Å; E4054-V4061 HydrophobicContact CG-CG2 4.12Å; E4054-V4061 PolarHBondContact OE1-N 2.79Å |
| 4055 | T | 80.6 | Confident | 81 | Confident | 103 Ų | 103 | 38 Ų | 38 | 63% | 0.632 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -67.2 | -43.9 | 176.1 | -52 | 0 | 0 | 0 | 0 | 111.2 | L4052 L4053 N4058 | L4052-T4055 WeakPolarHBondContact O-CA 3.41Å; L4052-T4055 WeakPolarHBondContact O-CB 3.27Å; L4052-T4055 PolarHBondContact O-N 2.95Å; L4052-T4055 VanDerWaalsContact O-N 3.08Å; L4053-T4055 VanDerWaalsContact C-N 3.27Å; L4053-T4055 PolarHBondContact O-N 3Å; T4055-N4058 PolarHBondContact O-N 2.96Å |
| 4056 | V | 82.2 | Confident | 81 | Confident | 22 Ų | 22 | 37.9 Ų | 37.9 | 13% | 0.133 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67 | -48 | -179.2 | 170.6 | 0 | 0 | 0 | 0 | 110.9 | N3972 L3973 Y3976 L4047 L4052 L4053 N4058 | N3972-V4056 HydrophobicContact CB-CG1 4.18Å; N3972-V4056 WeakPolarHBondContact CB-O 3.39Å; N3972-V4056 PolarHBondContact ND2-O 3.02Å; L3973-V4056 HydrophobicContact CD1-CG1 4.5Å; Y3976-V4056 HydrophobicContact CD2-CG2 3.59Å; Y3976-V4056 HydrophobicContact CE2-CG2 4.17Å; Y3976-V4056 HydrophobicContact CG-CG1 4.43Å; Y3976-V4056 HydrophobicContact CG-CG2 3.89Å; L4047-V4056 HydrophobicContact CD1-CB 4.2Å; L4047-V4056 HydrophobicContact CD1-CG2 3.55Å; L4052-V4056 WeakPolarHBondContact O-CG2 3.39Å; L4052-V4056 PolarHBondContact O-N 3.04Å; L4053-V4056 PolarHBondContact O-N 2.9Å; L4053-V4056 VanDerWaalsContact O-N 3.09Å; V4056-N4058 VanDerWaalsContact C-N 3.25Å; V4056-N4058 PolarHBondContact O-N 2.85Å |
| 4057 | I | 80.1 | Confident | 81.1 | Confident | 4.5 Ų | 4.5 | 38.7 Ų | 38.7 | 2% | 0.023 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -82.9 | -2.6 | -179.6 | 70.5 | 166.6 | 0 | 0 | 0 | 113.5 | F3954 L3956 V3969 L4053 T4059 V4061 | F3954-I4057 HydrophobicContact CD2-CD1 4.4Å; F3954-I4057 HydrophobicContact CE2-CD1 3.76Å; F3954-I4057 HydrophobicContact CZ-CD1 4.09Å; L3956-I4057 HydrophobicContact CD2-CD1 4.37Å; V3969-I4057 HydrophobicContact CG1-CB 4.35Å; V3969-I4057 HydrophobicContact CG1-CG2 3.98Å; V3969-I4057 HydrophobicContact CG2-CB 4.36Å; L4053-I4057 HydrophobicContact CD1-CG2 3.92Å; L4053-I4057 WeakPolarHBondContact O-CG1 3.28Å; L4053-I4057 PolarHBondContact O-N 2.82Å; I4057-T4059 VanDerWaalsContact C-N 3.28Å; I4057-T4059 HydrophobicContact CB-CG2 4.45Å; I4057-T4059 HydrophobicContact CD1-CG2 3.49Å; I4057-T4059 VanDerWaalsContact CD1-CG2 3.49Å; I4057-T4059 HydrophobicContact CG1-CG2 3.69Å; I4057-T4059 PolarHBondContact O-N 3.19Å; I4057-V4061 HydrophobicContact CD1-CG2 3.27Å; I4057-V4061 HydrophobicContact CG1-CG2 4.09Å |
| 4058 | N | 75.4 | Confident | 81 | Confident | 137 Ų | 137 | 42.2 Ų | 42.2 | 73% | 0.733 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 37.7 | 179.8 | -164.4 | 39.3 | 0 | 0 | 0 | 113.9 | E4054 T4055 V4056 | E4054-N4058 WeakPolarHBondContact O-CA 3.24Å; E4054-N4058 PolarHBondContact O-N 2.98Å; T4055-N4058 PolarHBondContact O-N 2.96Å; V4056-N4058 VanDerWaalsContact C-N 3.25Å; V4056-N4058 PolarHBondContact O-N 2.85Å |
| 4059 | T | 75.9 | Confident | 81 | Confident | 30.5 Ų | 30.5 | 42.4 Ų | 42.4 | 19% | 0.187 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -158.7 | 153.8 | 177.5 | -170.1 | 0 | 0 | 0 | 0 | 111.4 | L3956 M3959 E4054 I4057 | L3956-T4059 HydrophobicContact CD2-CG2 3.38Å; M3959-T4059 VanDerWaalsContact CE-OG1 3.24Å; M3959-T4059 WeakPolarHBondContact CE-OG1 3.42Å; E4054-T4059 WeakPolarHBondContact CA-O 3.26Å; E4054-T4059 WeakPolarHBondContact CB-O 3.41Å; E4054-T4059 PolarHBondContact O-N 3.13Å; I4057-T4059 VanDerWaalsContact C-N 3.28Å; I4057-T4059 HydrophobicContact CB-CG2 4.45Å; I4057-T4059 HydrophobicContact CD1-CG2 3.49Å; I4057-T4059 VanDerWaalsContact CD1-CG2 3.49Å; I4057-T4059 HydrophobicContact CG1-CG2 3.69Å; I4057-T4059 PolarHBondContact O-N 3.19Å |
| 4060 | T | 74.2 | Confident | 81 | Confident | 83 Ų | 83 | 42.4 Ų | 42.4 | 51% | 0.509 | 26% | 0.255 | S | S | . | . | trans | -70.4 | 139 | 179.5 | -42.2 | 0 | 0 | 0 | 0 | 110.6 | L3956 P3957 E4054 | L3956-T4060 WeakPolarHBondContact CD2-O 3.41Å; P3957-T4060 WeakPolarHBondContact CD-O 3.21Å; E4054-T4060 WeakPolarHBondContact OE1-CG2 3.25Å | ||
| 4061 | V | 75.5 | Confident | 81 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 12% | 0.121 | 25% | 0.254 | C | S | . | . | trans | -119.8 | 129.8 | -174.8 | -176 | 0 | 0 | 0 | 0 | 111.5 | F3954 G3955 L4053 E4054 I4057 V4064 | F3954-V4061 HydrophobicContact CB-CG1 3.46Å; F3954-V4061 VanDerWaalsContact CB-CG1 3.46Å; F3954-V4061 HydrophobicContact CD2-CG1 3.86Å; F3954-V4061 HydrophobicContact CD2-CG2 4.31Å; F3954-V4061 HydrophobicContact CG-CG1 3.87Å; G3955-V4061 CarbonylContact O-C 3.58Å; G3955-V4061 WeakPolarHBondContact O-CA 3.48Å; L4053-V4061 HydrophobicContact CD2-CG1 4.25Å; L4053-V4061 HydrophobicContact CD2-CG2 4.25Å; L4053-V4061 HydrophobicContact CG-CG2 4.43Å; E4054-V4061 HydrophobicContact CG-CB 4.17Å; E4054-V4061 HydrophobicContact CG-CG2 4.12Å; E4054-V4061 PolarHBondContact OE1-N 2.79Å; I4057-V4061 HydrophobicContact CD1-CG2 3.27Å; I4057-V4061 HydrophobicContact CG1-CG2 4.09Å; V4061-V4064 HydrophobicContact CG1-CG2 3.6Å | ||
| 4062 | V | 73.7 | Confident | 81.3 | Confident | 101 Ų | 101 | 43.3 Ų | 43.3 | 61% | 0.612 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 102.9 | 178.4 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | G3955 | G3955-V4062 WeakPolarHBondContact CA-O 3.38Å; G3955-V4062 PolarHBondContact N-O 2.98Å; G3955-V4062 VanDerWaalsContact N-O 3.09Å; G3955-V4062 PolarHBondContact O-N 3.32Å |
| 4063 | G | 72.4 | Confident | 81.2 | Confident | 55 Ų | 55 | 42 Ų | 42 | 57% | 0.567 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 66.4 | 121.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | F3954 | F3954-G4063 VanDerWaalsContact CA-O 3.26Å; F3954-G4063 WeakPolarHBondContact CA-O 3.43Å; F3954-G4063 WeakPolarHBondContact CB-O 3.35Å |
| 4064 | V | 83.4 | Confident | 81 | Confident | 10.5 Ų | 10.5 | 43.9 Ų | 43.9 | 6% | 0.064 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 125.8 | 179.2 | -168.6 | 0 | 0 | 0 | 0 | 110.1 | V3952 S3953 F3954 I4048 L4053 V4061 I4095 | V3952-V4064 HydrophobicContact CG1-CG1 3.83Å; S3953-V4064 WeakPolarHBondContact O-CA 3.29Å; F3954-V4064 HydrophobicContact CB-CG1 4.45Å; F3954-V4064 HydrophobicContact CB-CG2 4.1Å; I4048-V4064 HydrophobicContact CD1-CB 4.14Å; I4048-V4064 HydrophobicContact CD1-CG1 3.41Å; I4048-V4064 VanDerWaalsContact CD1-CG1 3.41Å; I4048-V4064 HydrophobicContact CG1-CB 4.29Å; I4048-V4064 HydrophobicContact CG1-CG1 3.9Å; I4048-V4064 HydrophobicContact CG1-CG2 4.38Å; I4048-V4064 HydrophobicContact CG2-CB 4.1Å; I4048-V4064 HydrophobicContact CG2-CG2 4.22Å; L4053-V4064 HydrophobicContact CD2-CG1 4.36Å; L4053-V4064 HydrophobicContact CD2-CG2 3.73Å; V4061-V4064 HydrophobicContact CG1-CG2 3.6Å; V4064-I4095 PolarHBondContact O-N 3.22Å; V4064-I4095 VanDerWaalsContact O-N 3.07Å |
| 4065 | T | 84.9 | Confident | 81.1 | Confident | 34 Ų | 34 | 41.5 Ų | 41.5 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 137.6 | 170.7 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | V3952 S3953 E4093 V4094 | V3952-T4065 WeakPolarHBondContact CA-O 3.41Å; S3953-T4065 WeakPolarHBondContact CB-OG1 3.41Å; S3953-T4065 PolarHBondContact N-O 2.87Å; S3953-T4065 PolarHBondContact O-N 2.99Å; S3953-T4065 PolarHBondContact O-OG1 3.32Å; T4065-E4093 CarbonylContact C-O 3.54Å; T4065-E4093 VanDerWaalsContact CA-O 3.22Å; T4065-E4093 WeakPolarHBondContact CA-O 3.25Å; T4065-V4094 HydrophobicContact CG2-CG2 3.92Å |
| 4066 | I | 86.9 | Confident | 80.9 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 130.9 | 173.1 | -61.9 | -179.6 | 0 | 0 | 0 | 109.7 | I3950 K3951 V4044 V4045 I4048 K4068 E4093 I4095 | I3950-I4066 HydrophobicContact CG2-CG2 3.93Å; K3951-I4066 CarbonylContact O-C 3.57Å; K3951-I4066 VanDerWaalsContact O-CA 3.3Å; K3951-I4066 WeakPolarHBondContact O-CA 3.44Å; V4044-I4066 HydrophobicContact CB-CD1 4.34Å; V4044-I4066 HydrophobicContact CG1-CD1 3.66Å; V4044-I4066 HydrophobicContact CG1-CG1 4.31Å; V4045-I4066 HydrophobicContact CB-CD1 4.47Å; V4045-I4066 HydrophobicContact CG2-CD1 3.62Å; I4048-I4066 HydrophobicContact CD1-CD1 3.58Å; I4048-I4066 HydrophobicContact CD1-CG1 3.9Å; I4066-K4068 HydrophobicContact CG2-CG 4.47Å; I4066-E4093 PolarHBondContact N-O 3.13Å; I4066-E4093 PolarHBondContact O-N 3.04Å; I4066-I4095 HydrophobicContact CB-CD1 4.32Å; I4066-I4095 HydrophobicContact CB-CG1 4.08Å; I4066-I4095 HydrophobicContact CD1-CD1 4.1Å; I4066-I4095 HydrophobicContact CD1-CG1 3.6Å; I4066-I4095 HydrophobicContact CG1-CD1 4.35Å; I4066-I4095 HydrophobicContact CG1-CG1 3.66Å |
| 4067 | Q | 87.1 | Confident | 80.6 | Confident | 26 Ų | 26 | 48.8 Ų | 48.8 | 12% | 0.121 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.8 | 157.3 | -167.7 | 170.7 | 31.9 | 0 | 0 | 108.5 | P3875 I3950 K3951 Q4090 | P3875-Q4067 HydrophobicContact CB-CG 4.39Å; P3875-Q4067 VanDerWaalsContact CB-NE2 3.26Å; I3950-Q4067 WeakPolarHBondContact CA-O 3.28Å; I3950-Q4067 WeakPolarHBondContact CG2-O 3.41Å; K3951-Q4067 HydrophobicContact CB-CB 3.85Å; K3951-Q4067 VanDerWaalsContact CD-OE1 3.31Å; K3951-Q4067 HydrophobicContact CG-CB 4.37Å; K3951-Q4067 PolarHBondContact N-O 3.27Å; K3951-Q4067 PolarHBondContact O-N 3.05Å; Q4067-Q4090 PolarHBondContact NE2-O 2.83Å |
| 4068 | K | 84.5 | Confident | 80.8 | Confident | 73.5 Ų | 73.5 | 48.7 Ų | 48.7 | 32% | 0.32 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 159.5 | 178.8 | -73.2 | 176.8 | -173.8 | 155.3 | 0 | 110.5 | I4066 Q4090 E4093 | I4066-K4068 HydrophobicContact CG2-CG 4.47Å; K4068-Q4090 PolarHBondContact O-OE1 2.87Å; K4068-E4093 VanDerWaalsContact CE-OE2 3.32Å; K4068-E4093 WeakPolarHBondContact CE-OE2 3.35Å; K4068-E4093 IonicContact NZ-OE1 3.48Å; K4068-E4093 PolarHBondContact NZ-OE1 2.81Å; K4068-E4093 IonicContact NZ-OE2 2.99Å; K4068-E4093 PolarHBondContact NZ-OE2 2.89Å |
| 4069 | P | 87 | Confident | 81 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 5% | 0.052 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 141.1 | 172.8 | 28.7 | -32.4 | 0 | 0 | 0 | 110.3 | Q3948 L3949 I4037 E4038 S4041 P4071 | Q3948-P4069 HydrophobicContact CB-CB 4.17Å; L3949-P4069 VanDerWaalsContact O-CA 3.23Å; L3949-P4069 WeakPolarHBondContact O-CA 3.46Å; I4037-P4069 HydrophobicContact CG1-CB 4.34Å; I4037-P4069 HydrophobicContact CG2-CB 4.02Å; I4037-P4069 HydrophobicContact CG2-CG 4.3Å; E4038-P4069 HydrophobicContact CB-CG 4.46Å; E4038-P4069 HydrophobicContact CG-CG 3.81Å; S4041-P4069 WeakPolarHBondContact OG-CD 3.44Å; P4069-P4071 WeakPolarHBondContact O-CD 3.32Å |
| 4070 | T | 86.1 | Confident | 81 | Confident | 1.5 Ų | 1.5 | 46.5 Ų | 46.5 | 1% | 0.009 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 125.5 | 168.1 | -65.2 | 0 | 0 | 0 | 0 | 109.1 | T3874 P3875 L3946 Q3948 W4078 | T3874-T4070 HydrophobicContact CG2-CG2 3.65Å; P3875-T4070 PolarHBondContact O-OG1 3.3Å; L3946-T4070 HydrophobicContact CD2-CG2 4.47Å; Q3948-T4070 WeakPolarHBondContact CG-O 3.42Å; Q3948-T4070 PolarHBondContact NE2-O 2.85Å; T4070-W4078 HydrophobicContact CG2-CE3 4.15Å; T4070-W4078 HydrophobicContact CG2-CH2 4.5Å; T4070-W4078 HydrophobicContact CG2-CZ3 3.59Å |
| 4071 | P | 84.6 | Confident | 81.1 | Confident | 9.5 Ų | 9.5 | 43.8 Ų | 43.8 | 6% | 0.062 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 149.3 | 179.1 | -23.3 | 33.8 | 0 | 0 | 0 | 112 | Q3851 P4069 L4077 W4078 | Q3851-P4071 PolarHBondContact NE2-O 3Å; P4069-P4071 WeakPolarHBondContact O-CD 3.32Å; P4071-L4077 HydrophobicContact CB-CB 3.79Å; P4071-L4077 HydrophobicContact CG-CB 3.88Å; P4071-W4078 HydrophobicContact CB-CB 4.06Å; P4071-W4078 VanDerWaalsContact O-CE3 3.25Å |
| 4072 | L | 85 | Confident | 81.2 | Confident | 54 Ų | 54 | 44.6 Ų | 44.6 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -68 | 144.8 | 179.3 | -70.5 | -179.5 | 0 | 0 | 0 | 112 | Q3948 P4028 T4035 G4074 S4075 W4078 | Q3948-L4072 HydrophobicContact CG-CD2 4.06Å; P4028-L4072 HydrophobicContact CB-CD1 3.58Å; P4028-L4072 HydrophobicContact CG-CD1 3.27Å; T4035-L4072 HydrophobicContact CG2-CD1 3.39Å; T4035-L4072 HydrophobicContact CG2-CG 3.87Å; L4072-G4074 PolarHBondContact O-N 3.28Å; L4072-S4075 VanDerWaalsContact O-CB 3.31Å; L4072-S4075 WeakPolarHBondContact O-CB 3.18Å; L4072-S4075 PolarHBondContact O-N 3Å; L4072-S4075 VanDerWaalsContact O-N 3.14Å; L4072-S4075 PolarHBondContact O-OG 3.02Å; L4072-W4078 WeakPolarHBondContact O-CB 3.41Å |
| 4073 | P | 82.8 | Confident | 81.1 | Confident | 15.5 Ų | 15.5 | 43.8 Ų | 43.8 | 10% | 0.101 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 139.1 | 179.6 | 8.6 | -1.6 | 0 | 0 | 0 | 110.6 | D3784 Q3851 S4075 | D3784-P4073 HydrophobicContact CB-CB 3.88Å; D3784-P4073 HydrophobicContact CB-CG 4.12Å; D3784-P4073 VanDerWaalsContact CG-CG 3.48Å; D3784-P4073 WeakPolarHBondContact OD2-CG 3.48Å; Q3851-P4073 HydrophobicContact CB-CG 4.02Å; Q3851-P4073 VanDerWaalsContact CD-CD 3.42Å; Q3851-P4073 HydrophobicContact CG-CG 4.08Å; P4073-S4075 VanDerWaalsContact C-N 3.34Å |
| 4074 | G | 78.9 | Confident | 80.7 | Confident | 50 Ų | 50 | 44.2 Ų | 44.2 | 52% | 0.515 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.1 | -3.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L4072 | L4072-G4074 PolarHBondContact O-N 3.28Š|
| 4075 | S | 81 | Confident | 79.3 | Confident | 32.5 Ų | 32.5 | 49 Ų | 49 | 23% | 0.227 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -79.5 | 156.7 | 169.9 | 68.3 | 0 | 0 | 0 | 0 | 112.2 | L4072 P4073 L4077 W4078 A4079 | L4072-S4075 VanDerWaalsContact O-CB 3.31Å; L4072-S4075 WeakPolarHBondContact O-CB 3.18Å; L4072-S4075 PolarHBondContact O-N 3Å; L4072-S4075 VanDerWaalsContact O-N 3.14Å; L4072-S4075 PolarHBondContact O-OG 3.02Å; P4073-S4075 VanDerWaalsContact C-N 3.34Å; S4075-L4077 VanDerWaalsContact C-N 3.28Å; S4075-L4077 PolarHBondContact O-N 2.67Å; S4075-W4078 WeakPolarHBondContact O-CB 3.35Å; S4075-W4078 PolarHBondContact O-N 2.88Å; S4075-W4078 VanDerWaalsContact OG-CB 3.27Å; S4075-W4078 WeakPolarHBondContact OG-CB 3.23Å; S4075-W4078 PolarHBondContact OG-N 3.06Å; S4075-W4078 VanDerWaalsContact OG-N 3.12Å; S4075-A4079 PolarHBondContact O-N 3.22Å |
| 4076 | E | 76.6 | Confident | 77.6 | Confident | 179.5 Ų | 179.5 | 52.9 Ų | 52.9 | 84% | 0.839 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.4 | -37.8 | 174.7 | -67.5 | -179.3 | 178 | 0 | 0 | 112.2 | A4079 A4080 | E4076-A4079 PolarHBondContact O-N 3.03Å; E4076-A4080 WeakPolarHBondContact O-CB 3.34Å; E4076-A4080 PolarHBondContact O-N 3.08Å |
| 4077 | L | 77.4 | Confident | 75.8 | Confident | 97.5 Ų | 97.5 | 55.9 Ų | 55.9 | 51% | 0.51 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 176 | -67.9 | 177.4 | 0 | 0 | 0 | 111.7 | P4071 S4075 Q4081 | P4071-L4077 HydrophobicContact CB-CB 3.79Å; P4071-L4077 HydrophobicContact CG-CB 3.88Å; S4075-L4077 VanDerWaalsContact C-N 3.28Å; S4075-L4077 PolarHBondContact O-N 2.67Å; L4077-Q4081 WeakPolarHBondContact O-CB 3.23Å; L4077-Q4081 PolarHBondContact O-N 3.02Å |
| 4078 | W | 83.2 | Confident | 74 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 1% | 0.011 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 174.4 | 175.3 | -103.1 | 0 | 0 | 0 | 111.7 | D3786 T3848 Q3851 T4070 P4071 L4072 S4075 A4080 Q4081 V4082 | D3786-W4078 PolarHBondContact OD2-NE1 3.2Å; T3848-W4078 HydrophobicContact CG2-CH2 3.52Å; T3848-W4078 HydrophobicContact CG2-CZ2 4.31Å; T3848-W4078 HydrophobicContact CG2-CZ3 4.19Å; Q3851-W4078 HydrophobicContact CG-CH2 4.3Å; T4070-W4078 HydrophobicContact CG2-CE3 4.15Å; T4070-W4078 HydrophobicContact CG2-CH2 4.5Å; T4070-W4078 HydrophobicContact CG2-CZ3 3.59Å; P4071-W4078 HydrophobicContact CB-CB 4.06Å; P4071-W4078 VanDerWaalsContact O-CE3 3.25Å; L4072-W4078 WeakPolarHBondContact O-CB 3.41Å; S4075-W4078 WeakPolarHBondContact O-CB 3.35Å; S4075-W4078 PolarHBondContact O-N 2.88Å; S4075-W4078 VanDerWaalsContact OG-CB 3.27Å; S4075-W4078 WeakPolarHBondContact OG-CB 3.23Å; S4075-W4078 PolarHBondContact OG-N 3.06Å; S4075-W4078 VanDerWaalsContact OG-N 3.12Å; W4078-A4080 VanDerWaalsContact C-N 3.3Å; W4078-A4080 PolarHBondContact O-N 3.21Å; W4078-Q4081 PolarHBondContact O-N 3.1Å; W4078-Q4081 VanDerWaalsContact O-N 3.11Å; W4078-V4082 HydrophobicContact CD2-CG1 3.81Å; W4078-V4082 HydrophobicContact CD2-CG2 3.78Å; W4078-V4082 VanDerWaalsContact CE2-CG1 3.45Å; W4078-V4082 HydrophobicContact CE3-CG1 4.2Å; W4078-V4082 HydrophobicContact CE3-CG2 4.27Å; W4078-V4082 HydrophobicContact CG-CG1 4.37Å; W4078-V4082 HydrophobicContact CG-CG2 4.28Å; W4078-V4082 HydrophobicContact CH2-CG1 4.05Å; W4078-V4082 HydrophobicContact CH2-CG2 4.1Å; W4078-V4082 HydrophobicContact CZ2-CG1 3.62Å; W4078-V4082 HydrophobicContact CZ2-CG2 3.55Å; W4078-V4082 HydrophobicContact CZ3-CG1 4.29Å; W4078-V4082 HydrophobicContact CZ3-CG2 4.4Å; W4078-V4082 WeakPolarHBondContact O-CG2 3.18Å; W4078-V4082 PolarHBondContact O-N 3.25Å |
| 4079 | A | 80 | Confident | 72.5 | Confident | 55.5 Ų | 55.5 | 57.4 Ų | 57.4 | 46% | 0.459 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.2 | -43.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S4075 E4076 V4082 A4083 | S4075-A4079 PolarHBondContact O-N 3.22Å; E4076-A4079 PolarHBondContact O-N 3.03Å; A4079-V4082 WeakPolarHBondContact O-CG2 3.14Å; A4079-A4083 VanDerWaalsContact O-CB 3.3Å; A4079-A4083 WeakPolarHBondContact O-CB 3.4Å; A4079-A4083 PolarHBondContact O-N 3.01Å; A4079-A4083 VanDerWaalsContact O-N 3.1Å |
| 4080 | A | 76.8 | Confident | 71.1 | Confident | 65.5 Ų | 65.5 | 59 Ų | 59 | 54% | 0.541 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E4076 W4078 A4083 D4084 | E4076-A4080 WeakPolarHBondContact O-CB 3.34Å; E4076-A4080 PolarHBondContact O-N 3.08Å; W4078-A4080 VanDerWaalsContact C-N 3.3Å; W4078-A4080 PolarHBondContact O-N 3.21Å; A4080-A4083 PolarHBondContact O-N 3.1Å; A4080-D4084 PolarHBondContact O-N 3.15Å |
| 4081 | Q | 75.2 | Confident | 70.1 | Confident | 27 Ų | 27 | 64.6 Ų | 64.6 | 13% | 0.126 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.1 | -39.2 | -179.7 | -176.6 | 174.6 | -35.9 | 0 | 0 | 112.9 | L4077 W4078 D4084 | L4077-Q4081 WeakPolarHBondContact O-CB 3.23Å; L4077-Q4081 PolarHBondContact O-N 3.02Å; W4078-Q4081 PolarHBondContact O-N 3.1Å; W4078-Q4081 VanDerWaalsContact O-N 3.11Å; Q4081-D4084 PolarHBondContact O-N 3.02Å |
| 4082 | V | 77 | Confident | 69.6 | Low | 37 Ų | 37 | 67.5 Ų | 67.5 | 22% | 0.224 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -76.4 | -26.1 | 179.1 | -121.6 | 0 | 0 | 0 | 0 | 112.4 | R3790 W4078 A4079 D4084 | R3790-V4082 HydrophobicContact CG-CG1 4.27Å; W4078-V4082 HydrophobicContact CD2-CG1 3.81Å; W4078-V4082 HydrophobicContact CD2-CG2 3.78Å; W4078-V4082 VanDerWaalsContact CE2-CG1 3.45Å; W4078-V4082 HydrophobicContact CE3-CG1 4.2Å; W4078-V4082 HydrophobicContact CE3-CG2 4.27Å; W4078-V4082 HydrophobicContact CG-CG1 4.37Å; W4078-V4082 HydrophobicContact CG-CG2 4.28Å; W4078-V4082 HydrophobicContact CH2-CG1 4.05Å; W4078-V4082 HydrophobicContact CH2-CG2 4.1Å; W4078-V4082 HydrophobicContact CZ2-CG1 3.62Å; W4078-V4082 HydrophobicContact CZ2-CG2 3.55Å; W4078-V4082 HydrophobicContact CZ3-CG1 4.29Å; W4078-V4082 HydrophobicContact CZ3-CG2 4.4Å; W4078-V4082 WeakPolarHBondContact O-CG2 3.18Å; W4078-V4082 PolarHBondContact O-N 3.25Å; A4079-V4082 WeakPolarHBondContact O-CG2 3.14Å; V4082-D4084 VanDerWaalsContact C-N 3.35Å |
| 4083 | A | 72.1 | Confident | 69.3 | Low | 83 Ų | 83 | 68.2 Ų | 68.2 | 69% | 0.686 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -72.6 | -29.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | A4079 A4080 S4085 | A4079-A4083 VanDerWaalsContact O-CB 3.3Å; A4079-A4083 WeakPolarHBondContact O-CB 3.4Å; A4079-A4083 PolarHBondContact O-N 3.01Å; A4079-A4083 VanDerWaalsContact O-N 3.1Å; A4080-A4083 PolarHBondContact O-N 3.1Å; A4083-S4085 PolarHBondContact O-N 3.13Å; A4083-S4085 VanDerWaalsContact O-N 3.14Å |
| 4084 | D | 64.9 | Low | 69.3 | Low | 64.5 Ų | 64.5 | 71.9 Ų | 71.9 | 35% | 0.345 | 44% | 0.441 | S | S | . | . | trans | -84.2 | 96 | 178.2 | -171.8 | -1.7 | 0 | 0 | 0 | 111.7 | A4080 Q4081 V4082 T4086 T4087 | A4080-D4084 PolarHBondContact O-N 3.15Å; Q4081-D4084 PolarHBondContact O-N 3.02Å; V4082-D4084 VanDerWaalsContact C-N 3.35Å; D4084-T4086 PolarHBondContact O-N 2.94Å; D4084-T4086 VanDerWaalsContact O-N 3.08Å; D4084-T4086 WeakPolarHBondContact OD1-CB 3.41Å; D4084-T4086 PolarHBondContact OD1-N 3.26Å; D4084-T4086 PolarHBondContact OD1-OG1 3.26Å; D4084-T4086 PolarHBondContact OD2-OG1 2.93Å; D4084-T4087 VanDerWaalsContact CB-OG1 3.28Å; D4084-T4087 WeakPolarHBondContact CB-OG1 3.32Å; D4084-T4087 VanDerWaalsContact CG-OG1 3.26Å; D4084-T4087 PolarHBondContact O-N 3.18Å; D4084-T4087 PolarHBondContact O-OG1 3.16Å; D4084-T4087 WeakPolarHBondContact OD2-CG2 3.05Å; D4084-T4087 PolarHBondContact OD2-OG1 3.17Å | ||
| 4085 | S | 53.7 | Low | 69.4 | Low | 110.5 Ų | 110.5 | 69.9 Ų | 69.9 | 77% | 0.773 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -15.2 | 175.5 | 57.7 | 0 | 0 | 0 | 0 | 115.1 | A4083 | A4083-S4085 PolarHBondContact O-N 3.13Å; A4083-S4085 VanDerWaalsContact O-N 3.14Å |
| 4086 | T | 49.8 | Very low | 69.6 | Low | 116.5 Ų | 116.5 | 70 Ų | 70 | 72% | 0.715 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -16.3 | -176.1 | 67.8 | 0 | 0 | 0 | 0 | 114.5 | D4084 | D4084-T4086 PolarHBondContact O-N 2.94Å; D4084-T4086 VanDerWaalsContact O-N 3.08Å; D4084-T4086 WeakPolarHBondContact OD1-CB 3.41Å; D4084-T4086 PolarHBondContact OD1-N 3.26Å; D4084-T4086 PolarHBondContact OD1-OG1 3.26Å; D4084-T4086 PolarHBondContact OD2-OG1 2.93Å |
| 4087 | T | 48.3 | Very low | 69.9 | Low | 63.5 Ų | 63.5 | 65.1 Ų | 65.1 | 39% | 0.39 | 39% | 0.394 | S | S | . | . | trans | -123 | 32.8 | -169.6 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | D4084 Q4089 | D4084-T4087 VanDerWaalsContact CB-OG1 3.28Å; D4084-T4087 WeakPolarHBondContact CB-OG1 3.32Å; D4084-T4087 VanDerWaalsContact CG-OG1 3.26Å; D4084-T4087 PolarHBondContact O-N 3.18Å; D4084-T4087 PolarHBondContact O-OG1 3.16Å; D4084-T4087 WeakPolarHBondContact OD2-CG2 3.05Å; D4084-T4087 PolarHBondContact OD2-OG1 3.17Å; T4087-Q4089 PolarHBondContact O-N 3.12Å | ||
| 4088 | S | 49.6 | Very low | 70.4 | Confident | 42 Ų | 42 | 60.9 Ų | 60.9 | 29% | 0.294 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -69.6 | -17.2 | -176.6 | 61.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 4089 | Q | 51.8 | Low | 70.6 | Confident | 90 Ų | 90 | 64.8 Ų | 64.8 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -103.4 | 110.4 | 167.3 | -71.8 | -174.4 | -27.8 | 0 | 0 | 109.6 | R3730 T4087 N4091 | R3730-Q4089 VanDerWaalsContact NH1-NE2 3.18Å; T4087-Q4089 PolarHBondContact O-N 3.12Å; Q4089-N4091 VanDerWaalsContact C-N 3.31Å; Q4089-N4091 PolarHBondContact O-N 2.84Å |
| 4090 | Q | 57.4 | Low | 71 | Confident | 40.5 Ų | 40.5 | 67.2 Ų | 67.2 | 19% | 0.189 | 40% | 0.396 | C | S | . | . | trans | -66.5 | 96.5 | 165.3 | -67.2 | -174.1 | -4.7 | 0 | 0 | 108.2 | P3875 Q4067 K4068 | P3875-Q4090 HydrophobicContact CG-CB 4.21Å; Q4067-Q4090 PolarHBondContact NE2-O 2.83Å; K4068-Q4090 PolarHBondContact O-OE1 2.87Å | ||
| 4091 | N | 65.1 | Low | 71.7 | Confident | 119 Ų | 119 | 64.4 Ų | 64.4 | 64% | 0.636 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 144.1 | 171 | -74.5 | -29.4 | 0 | 0 | 0 | 109.4 | Q4089 E4093 | Q4089-N4091 VanDerWaalsContact C-N 3.31Å; Q4089-N4091 PolarHBondContact O-N 2.84Å; N4091-E4093 PolarHBondContact O-N 3.05Å; N4091-E4093 VanDerWaalsContact O-N 3.15Å |
| 4092 | P | 75 | Confident | 72.5 | Confident | 72 Ų | 72 | 66 Ų | 66 | 47% | 0.468 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 124 | 172.4 | -23.4 | 32.8 | 0 | 0 | 0 | 110.7 | ||
| 4093 | E | 79.3 | Confident | 73.1 | Confident | 67 Ų | 67 | 65.1 Ų | 65.1 | 31% | 0.313 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 129.4 | 177.7 | -122.5 | 174.5 | -150.9 | 0 | 0 | 109.2 | T4065 I4066 K4068 N4091 I4095 P4136 | T4065-E4093 CarbonylContact C-O 3.54Å; T4065-E4093 VanDerWaalsContact CA-O 3.22Å; T4065-E4093 WeakPolarHBondContact CA-O 3.25Å; I4066-E4093 PolarHBondContact N-O 3.13Å; I4066-E4093 PolarHBondContact O-N 3.04Å; K4068-E4093 VanDerWaalsContact CE-OE2 3.32Å; K4068-E4093 WeakPolarHBondContact CE-OE2 3.35Å; K4068-E4093 IonicContact NZ-OE1 3.48Å; K4068-E4093 PolarHBondContact NZ-OE1 2.81Å; K4068-E4093 IonicContact NZ-OE2 2.99Å; K4068-E4093 PolarHBondContact NZ-OE2 2.89Å; N4091-E4093 PolarHBondContact O-N 3.05Å; N4091-E4093 VanDerWaalsContact O-N 3.15Å; E4093-I4095 HydrophobicContact CB-CD1 4.36Å; E4093-I4095 HydrophobicContact CG-CD1 4.24Å; E4093-I4095 PolarHBondContact O-N 2.83Å; E4093-P4136 WeakPolarHBondContact OE1-CD 3.42Å |
| 4094 | V | 81.2 | Confident | 74 | Confident | 94.5 Ų | 94.5 | 65.2 Ų | 65.2 | 57% | 0.573 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 116.6 | 169.7 | 179.5 | 0 | 0 | 0 | 0 | 107.9 | T4065 Q4096 | T4065-V4094 HydrophobicContact CG2-CG2 3.92Å; V4094-Q4096 PolarHBondContact O-N 3.11Å |
| 4095 | I | 82.5 | Confident | 75.1 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 4% | 0.036 | 36% | 0.355 | C | S | . | . | trans | -84 | 108.2 | 176.9 | -56.2 | -56.9 | 0 | 0 | 0 | 108.7 | V4045 I4048 Q4049 V4064 I4066 E4093 | V4045-I4095 HydrophobicContact CG1-CG2 4.44Å; V4045-I4095 HydrophobicContact CG2-CD1 4.28Å; I4048-I4095 HydrophobicContact CB-CG2 4.08Å; I4048-I4095 HydrophobicContact CD1-CB 4.49Å; I4048-I4095 HydrophobicContact CD1-CG1 4.46Å; I4048-I4095 HydrophobicContact CG2-CB 3.98Å; I4048-I4095 HydrophobicContact CG2-CG2 3.63Å; Q4049-I4095 HydrophobicContact CG-CG2 3.67Å; V4064-I4095 PolarHBondContact O-N 3.22Å; V4064-I4095 VanDerWaalsContact O-N 3.07Å; I4066-I4095 HydrophobicContact CB-CD1 4.32Å; I4066-I4095 HydrophobicContact CB-CG1 4.08Å; I4066-I4095 HydrophobicContact CD1-CD1 4.1Å; I4066-I4095 HydrophobicContact CD1-CG1 3.6Å; I4066-I4095 HydrophobicContact CG1-CD1 4.35Å; I4066-I4095 HydrophobicContact CG1-CG1 3.66Å; E4093-I4095 HydrophobicContact CB-CD1 4.36Å; E4093-I4095 HydrophobicContact CG-CD1 4.24Å; E4093-I4095 PolarHBondContact O-N 2.83Å | ||
| 4096 | Q | 84 | Confident | 76.8 | Confident | 36 Ų | 36 | 62.6 Ų | 62.6 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -74 | 136.9 | 176.4 | -66.9 | 171.3 | -57.5 | 0 | 0 | 110.6 | Q4049 V4094 D4128 I4133 V4134 K4135 | Q4049-Q4096 PolarHBondContact NE2-O 2.9Å; V4094-Q4096 PolarHBondContact O-N 3.11Å; Q4096-D4128 HydrophobicContact CB-CB 4.21Å; Q4096-D4128 HydrophobicContact CG-CB 4.49Å; Q4096-D4128 PolarHBondContact NE2-OD2 3.2Å; Q4096-I4133 PolarHBondContact NE2-O 2.96Å; Q4096-I4133 PolarHBondContact OE1-O 3.25Å; Q4096-V4134 HydrophobicContact CB-CB 4.32Å; Q4096-V4134 HydrophobicContact CB-CG1 4.01Å; Q4096-V4134 HydrophobicContact CB-CG2 4.09Å; Q4096-V4134 WeakPolarHBondContact O-CG1 3.36Å; Q4096-K4135 PolarHBondContact OE1-O 2.79Å |
| 4097 | I | 84.5 | Confident | 78.6 | Confident | 76.5 Ų | 76.5 | 59.1 Ų | 59.1 | 39% | 0.392 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -92.8 | 123.3 | 175.9 | -56.4 | 175.5 | 0 | 0 | 0 | 108.6 | I4048 V4099 D4128 | I4048-I4097 HydrophobicContact CG2-CG1 4.27Å; I4097-V4099 PolarHBondContact O-N 2.89Å; I4097-D4128 WeakPolarHBondContact O-CA 3.29Å |
| 4098 | P | 88 | Confident | 80.2 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 5% | 0.052 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 117.2 | 174.2 | 29.2 | -34.4 | 0 | 0 | 0 | 111.2 | Q4049 T4126 V4134 L4137 W4144 L4201 | Q4049-P4098 HydrophobicContact CB-CG 4.33Å; Q4049-P4098 WeakPolarHBondContact O-CD 3.37Å; P4098-T4126 HydrophobicContact CB-CG2 4.1Å; P4098-V4134 HydrophobicContact CB-CG2 3.98Å; P4098-L4137 HydrophobicContact CB-CD1 4.34Å; P4098-L4137 HydrophobicContact CG-CD1 4.2Å; P4098-W4144 HydrophobicContact CB-CH2 4.46Å; P4098-W4144 HydrophobicContact CB-CZ3 4.49Å; P4098-W4144 HydrophobicContact CG-CH2 3.42Å; P4098-W4144 HydrophobicContact CG-CZ2 3.79Å; P4098-W4144 HydrophobicContact CG-CZ3 3.99Å; P4098-L4201 HydrophobicContact CB-CD1 3.8Å |
| 4099 | V | 87.2 | Confident | 81.6 | Confident | 84.5 Ų | 84.5 | 63.6 Ų | 63.6 | 51% | 0.512 | 34% | 0.341 | S | S | . | . | trans | -104.3 | -30.9 | -178.2 | -178.5 | 0 | 0 | 0 | 0 | 112 | I4097 L4127 L4201 | I4097-V4099 PolarHBondContact O-N 2.89Å; V4099-L4127 PolarHBondContact N-O 2.93Å; V4099-L4201 WeakPolarHBondContact O-CD2 3.34Å | ||
| 4100 | K | 88.8 | Confident | 82.8 | Confident | 106 Ų | 106 | 61.7 Ų | 61.7 | 46% | 0.461 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 149.5 | 178.8 | 60.3 | -178.7 | 167.8 | 172 | 0 | 110.8 | T4126 L4127 | K4100-T4126 CarbonylContact O-C 3.55Å; K4100-T4126 WeakPolarHBondContact O-CA 3.43Å; K4100-L4127 HydrophobicContact CD-CB 4.35Å; K4100-L4127 HydrophobicContact CD-CD1 4.17Å; K4100-L4127 VanDerWaalsContact CE-CD1 3.46Å; K4100-L4127 HydrophobicContact CG-CB 3.77Å; K4100-L4127 HydrophobicContact CG-CD1 4.28Å; K4100-L4127 HydrophobicContact CG-CG 4.38Å; K4100-L4127 PolarHBondContact N-O 3.15Å; K4100-L4127 PolarHBondContact O-N 2.87Å |
| 4101 | S | 90.8 | Very high | 83.9 | Confident | 7.5 Ų | 7.5 | 61.6 Ų | 61.6 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 153.1 | 165 | 45.6 | 0 | 0 | 0 | 0 | 110 | S4125 L4201 T4203 | S4101-S4125 CarbonylContact C-O 3.44Å; S4101-S4125 WeakPolarHBondContact CA-O 3.42Å; S4101-L4201 PolarHBondContact OG-O 3.32Å; S4101-T4203 PolarHBondContact O-OG1 3.35Å; S4101-T4203 WeakPolarHBondContact OG-CB 3.49Å; S4101-T4203 PolarHBondContact OG-N 2.93Å; S4101-T4203 PolarHBondContact OG-OG1 3.49Å |
| 4102 | Q | 91.1 | Very high | 84.7 | Confident | 60 Ų | 60 | 61.8 Ų | 61.8 | 28% | 0.28 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 139 | 171.1 | 173.1 | 176.9 | 70.9 | 0 | 0 | 108.1 | K4104 I4124 S4125 L4127 | Q4102-K4104 HydrophobicContact CG-CG 4.42Å; Q4102-K4104 VanDerWaalsContact OE1-CE 3.26Å; Q4102-I4124 WeakPolarHBondContact O-CA 3.47Å; Q4102-S4125 PolarHBondContact N-O 3.14Å; Q4102-S4125 PolarHBondContact O-N 2.83Å; Q4102-L4127 HydrophobicContact CB-CD1 3.78Å; Q4102-L4127 HydrophobicContact CB-CD2 4.36Å; Q4102-L4127 HydrophobicContact CB-CG 3.89Å; Q4102-L4127 HydrophobicContact CG-CD1 4.36Å |
| 4103 | V | 91 | Very high | 85.2 | Confident | 18.5 Ų | 18.5 | 59.4 Ų | 59.4 | 11% | 0.112 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 127.2 | 177.4 | -174.5 | 0 | 0 | 0 | 0 | 108.1 | M4122 E4123 V4190 T4203 L4205 | V4103-M4122 HydrophobicContact CG1-CE 4.26Å; V4103-M4122 HydrophobicContact CG1-CG 3.4Å; V4103-M4122 VanDerWaalsContact CG1-CG 3.43Å; V4103-M4122 HydrophobicContact CG1-SD 3.47Å; V4103-M4122 WeakPolarHBondContact CG1-SD 3.38Å; V4103-E4123 CarbonylContact C-O 3.55Å; V4103-E4123 VanDerWaalsContact CA-O 3.29Å; V4103-E4123 WeakPolarHBondContact CA-O 3.3Å; V4103-V4190 HydrophobicContact CG1-CG2 4.33Å; V4103-V4190 HydrophobicContact CG2-CB 3.72Å; V4103-V4190 HydrophobicContact CG2-CG1 3.92Å; V4103-V4190 HydrophobicContact CG2-CG2 3.65Å; V4103-T4203 HydrophobicContact CG2-CG2 4.02Å; V4103-L4205 HydrophobicContact CB-CD2 4.26Å; V4103-L4205 HydrophobicContact CG1-CD2 3.77Å |
| 4104 | K | 89.8 | Confident | 85.6 | Confident | 85.5 Ų | 85.5 | 56.6 Ų | 56.6 | 37% | 0.372 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134.8 | 172.6 | -61.9 | -180 | -167 | 146.6 | 0 | 110.1 | Q4102 M4122 E4123 | Q4102-K4104 HydrophobicContact CG-CG 4.42Å; Q4102-K4104 VanDerWaalsContact OE1-CE 3.26Å; K4104-M4122 CarbonylContact O-C 3.58Å; K4104-M4122 WeakPolarHBondContact O-CA 3.29Å; K4104-E4123 HydrophobicContact CB-CB 4.33Å; K4104-E4123 PolarHBondContact N-O 2.76Å; K4104-E4123 IonicContact NZ-OE1 2.89Å; K4104-E4123 PolarHBondContact NZ-OE1 3.12Å; K4104-E4123 PolarHBondContact O-N 2.98Å |
| 4105 | I | 89.1 | Confident | 85.8 | Confident | 49.5 Ų | 49.5 | 52.3 Ų | 52.3 | 25% | 0.254 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.9 | 170.5 | -63.2 | 173 | 0 | 0 | 0 | 108.3 | V4107 V4114 F4120 L4205 F4207 | I4105-V4107 HydrophobicContact CG2-CG1 4.08Å; I4105-V4114 HydrophobicContact CG2-CG2 3.85Å; I4105-F4120 HydrophobicContact CG1-CE2 4.47Å; I4105-F4120 HydrophobicContact CG2-CD2 3.79Å; I4105-F4120 HydrophobicContact CG2-CE2 4.33Å; I4105-F4120 HydrophobicContact CG2-CG 4.46Å; I4105-L4205 HydrophobicContact CD1-CD2 3.77Å; I4105-L4205 HydrophobicContact CD1-CG 4.44Å; I4105-L4205 HydrophobicContact CG1-CD2 3.79Å; I4105-F4207 HydrophobicContact CD1-CB 4.29Å; I4105-F4207 HydrophobicContact CD1-CD1 3.34Å; I4105-F4207 HydrophobicContact CD1-CD2 3.77Å; I4105-F4207 HydrophobicContact CD1-CE1 3.38Å; I4105-F4207 HydrophobicContact CD1-CE2 3.81Å; I4105-F4207 HydrophobicContact CD1-CG 3.52Å; I4105-F4207 HydrophobicContact CD1-CZ 3.6Å |
| 4106 | I | 89.3 | Confident | 85.8 | Confident | 70.5 Ų | 70.5 | 52.2 Ų | 52.2 | 36% | 0.362 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 110.6 | 174.9 | -53.6 | 168.8 | 0 | 0 | 0 | 107.1 | L4121 E4123 L4174 | I4106-L4121 HydrophobicContact CB-CB 4.04Å; I4106-L4121 HydrophobicContact CG2-CB 4.46Å; I4106-L4121 HydrophobicContact CG2-CD1 4.37Å; I4106-L4121 PolarHBondContact N-O 3.07Å; I4106-L4121 PolarHBondContact O-N 3.09Å; I4106-E4123 HydrophobicContact CD1-CB 4.27Å; I4106-L4174 HydrophobicContact CD1-CD1 4.37Å |
| 4107 | V | 86.8 | Confident | 85.6 | Confident | 42.5 Ų | 42.5 | 52.3 Ų | 52.3 | 26% | 0.258 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -88.3 | 150.4 | 176.2 | -64.8 | 0 | 0 | 0 | 0 | 110.7 | I4105 Y4111 V4114 | I4105-V4107 HydrophobicContact CG2-CG1 4.08Å; V4107-Y4111 WeakPolarHBondContact CG2-O 3.37Å; V4107-V4114 HydrophobicContact CG1-CG2 3.87Å |
| 4108 | P | 82 | Confident | 85.5 | Confident | 52 Ų | 52 | 49.4 Ų | 49.4 | 34% | 0.338 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 156.5 | 177.5 | -20.2 | 31.7 | 0 | 0 | 0 | 112.8 | G4110 Y4111 V4118 P4119 | P4108-G4110 PolarHBondContact O-N 3.04Å; P4108-Y4111 HydrophobicContact CB-CD2 4.22Å; P4108-Y4111 PolarHBondContact O-N 3.16Å; P4108-Y4111 VanDerWaalsContact O-N 3.15Å; P4108-V4118 HydrophobicContact CG-CG1 3.97Å; P4108-P4119 VanDerWaalsContact CD-O 3.31Å; P4108-P4119 WeakPolarHBondContact CD-O 3.42Å; P4108-P4119 WeakPolarHBondContact CG-O 3.35Å |
| 4109 | T | 79.9 | Confident | 85.3 | Confident | 148 Ų | 148 | 52 Ų | 52 | 91% | 0.908 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 133.4 | 175.1 | -49.4 | 0 | 0 | 0 | 0 | 111.3 | ||
| 4110 | G | 75.8 | Confident | 85.4 | Confident | 51.5 Ų | 51.5 | 48.2 Ų | 48.2 | 53% | 0.531 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | -16.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | P4108 | P4108-G4110 PolarHBondContact O-N 3.04Š|
| 4111 | Y | 81.3 | Confident | 85.4 | Confident | 37.5 Ų | 37.5 | 45.9 Ų | 45.9 | 15% | 0.147 | 28% | 0.278 | C | S | . | . | trans | -104.9 | 143.6 | 174.8 | -62.6 | -83.8 | 0 | 0 | 0 | 111.2 | V4107 P4108 V4115 V4118 T4249 | V4107-Y4111 WeakPolarHBondContact CG2-O 3.37Å; P4108-Y4111 HydrophobicContact CB-CD2 4.22Å; P4108-Y4111 PolarHBondContact O-N 3.16Å; P4108-Y4111 VanDerWaalsContact O-N 3.15Å; Y4111-V4115 HydrophobicContact CD1-CB 4.18Å; Y4111-V4115 HydrophobicContact CD1-CG2 3.62Å; Y4111-V4115 HydrophobicContact CE1-CB 4.27Å; Y4111-V4115 HydrophobicContact CE1-CG2 4.09Å; Y4111-V4118 HydrophobicContact CD2-CG1 4.05Å; Y4111-V4118 HydrophobicContact CE1-CG2 3.89Å; Y4111-V4118 HydrophobicContact CE2-CG1 3.81Å; Y4111-V4118 HydrophobicContact CE2-CG2 4.32Å; Y4111-V4118 HydrophobicContact CG-CG1 4.47Å; Y4111-T4249 HydrophobicContact CD2-CG2 4.3Å; Y4111-T4249 HydrophobicContact CE1-CG2 4.31Å; Y4111-T4249 HydrophobicContact CE2-CG2 3.51Å | ||
| 4112 | T | 81.5 | Confident | 85.4 | Confident | 123 Ų | 123 | 45.5 Ų | 45.5 | 76% | 0.755 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -103.7 | -9.3 | 177.6 | 55.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 4113 | S | 85.7 | Confident | 85.4 | Confident | 22.5 Ų | 22.5 | 44.7 Ų | 44.7 | 16% | 0.157 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -156.9 | 166.1 | -179 | 57.6 | 0 | 0 | 0 | 0 | 108.6 | V4115 K4210 | S4113-V4115 PolarHBondContact O-N 3.11Å; S4113-K4210 VanDerWaalsContact OG-CD 3.26Å; S4113-K4210 WeakPolarHBondContact OG-CD 3.32Å; S4113-K4210 VanDerWaalsContact OG-CE 3.31Å; S4113-K4210 WeakPolarHBondContact OG-CE 3.33Å |
| 4114 | V | 87.5 | Confident | 85.6 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 5% | 0.048 | 27% | 0.266 | C | S | . | . | trans | -63.8 | 132.3 | 173.1 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | I4105 V4107 F4120 F4180 F4207 V4209 K4210 | I4105-V4114 HydrophobicContact CG2-CG2 3.85Å; V4107-V4114 HydrophobicContact CG1-CG2 3.87Å; V4114-F4120 HydrophobicContact CG1-CD1 3.73Å; V4114-F4120 HydrophobicContact CG1-CE1 3.92Å; V4114-F4120 HydrophobicContact CG1-CG 4.38Å; V4114-F4120 HydrophobicContact CG2-CD1 4.23Å; V4114-F4120 HydrophobicContact CG2-CD2 4.45Å; V4114-F4120 HydrophobicContact CG2-CG 4.18Å; V4114-F4180 HydrophobicContact CG1-CD2 3.93Å; V4114-F4180 HydrophobicContact CG1-CE2 4.49Å; V4114-F4207 HydrophobicContact CB-CD2 4.13Å; V4114-F4207 HydrophobicContact CB-CE2 3.96Å; V4114-F4207 HydrophobicContact CG1-CE2 4.22Å; V4114-F4207 HydrophobicContact CG2-CD2 3.87Å; V4114-F4207 HydrophobicContact CG2-CE2 3.63Å; V4114-V4209 HydrophobicContact CG1-CG1 4.38Å; V4114-V4209 HydrophobicContact CG1-CG2 4.27Å; V4114-V4209 WeakPolarHBondContact O-CA 3.38Å; V4114-K4210 PolarHBondContact O-N 2.89Å | ||
| 4115 | V | 84.8 | Confident | 85.7 | Confident | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.024 | 25% | 0.249 | C | C | . | . | B | Isolated β-bridge | trans | -120 | 142.6 | 179.8 | 178.7 | 0 | 0 | 0 | 0 | 107.9 | Y4111 S4113 G4117 V4118 K4210 K4212 | Y4111-V4115 HydrophobicContact CD1-CB 4.18Å; Y4111-V4115 HydrophobicContact CD1-CG2 3.62Å; Y4111-V4115 HydrophobicContact CE1-CB 4.27Å; Y4111-V4115 HydrophobicContact CE1-CG2 4.09Å; S4113-V4115 PolarHBondContact O-N 3.11Å; V4115-G4117 PolarHBondContact O-N 2.87Å; V4115-V4118 HydrophobicContact CB-CB 4.38Å; V4115-V4118 HydrophobicContact CB-CG2 3.95Å; V4115-V4118 HydrophobicContact CG1-CG2 4.22Å; V4115-V4118 WeakPolarHBondContact O-CB 3.36Å; V4115-V4118 PolarHBondContact O-N 3.01Å; V4115-V4118 VanDerWaalsContact O-N 3.12Å; V4115-K4210 WeakPolarHBondContact CA-O 3.41Å; V4115-K4210 HydrophobicContact CG2-CB 4.43Å; V4115-K4212 HydrophobicContact CG1-CB 4.05Å; V4115-K4212 HydrophobicContact CG1-CD 4.5Å; V4115-K4212 HydrophobicContact CG1-CG 4.44Å |
| 4116 | E | 83.2 | Confident | 85.8 | Confident | 4.5 Ų | 4.5 | 37.4 Ų | 37.4 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 134.9 | 176.5 | 69.9 | -178.4 | 163 | 0 | 0 | 111 | V4118 F4180 S4183 V4209 K4210 S4211 K4212 R4259 Y4331 | E4116-V4118 VanDerWaalsContact C-N 3.29Å; E4116-V4118 PolarHBondContact O-N 3.23Å; E4116-F4180 CarbonylContact C-O 3.47Å; E4116-F4180 WeakPolarHBondContact CA-O 3.37Å; E4116-S4183 PolarHBondContact OE2-N 2.96Å; E4116-S4183 VanDerWaalsContact OE2-N 3.13Å; E4116-V4209 HydrophobicContact CB-CG1 4.12Å; E4116-K4210 PolarHBondContact N-O 2.89Å; E4116-S4211 WeakPolarHBondContact OE1-CA 3.46Å; E4116-K4212 HydrophobicContact CG-CB 4.3Å; E4116-K4212 PolarHBondContact OE1-N 3.48Å; E4116-R4259 IonicContact OE2-CZ 3.98Å; E4116-R4259 IonicContact OE2-NE 3.56Å; E4116-R4259 IonicContact OE2-NH2 3.17Å; E4116-R4259 PolarHBondContact OE2-NH2 2.73Å; E4116-Y4331 PolarHBondContact OE1-OH 3.4Å |
| 4117 | G | 78.7 | Confident | 85.9 | Confident | 39 Ų | 39 | 34.5 Ų | 34.5 | 40% | 0.402 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | 7.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | V4115 F4180 | V4115-G4117 PolarHBondContact O-N 2.87Å; G4117-F4180 PolarHBondContact N-O 3.21Å |
| 4118 | V | 82.3 | Confident | 85.8 | Confident | 14 Ų | 14 | 33.1 Ų | 33.1 | 9% | 0.085 | 21% | 0.213 | C | C | . | . | trans | -111.6 | 120.4 | 179 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | P4108 Y4111 V4115 E4116 | P4108-V4118 HydrophobicContact CG-CG1 3.97Å; Y4111-V4118 HydrophobicContact CD2-CG1 4.05Å; Y4111-V4118 HydrophobicContact CE1-CG2 3.89Å; Y4111-V4118 HydrophobicContact CE2-CG1 3.81Å; Y4111-V4118 HydrophobicContact CE2-CG2 4.32Å; Y4111-V4118 HydrophobicContact CG-CG1 4.47Å; V4115-V4118 HydrophobicContact CB-CB 4.38Å; V4115-V4118 HydrophobicContact CB-CG2 3.95Å; V4115-V4118 HydrophobicContact CG1-CG2 4.22Å; V4115-V4118 WeakPolarHBondContact O-CB 3.36Å; V4115-V4118 PolarHBondContact O-N 3.01Å; V4115-V4118 VanDerWaalsContact O-N 3.12Å; E4116-V4118 VanDerWaalsContact C-N 3.29Å; E4116-V4118 PolarHBondContact O-N 3.23Å | ||
| 4119 | P | 85.5 | Confident | 85.9 | Confident | 63.5 Ų | 63.5 | 35.7 Ų | 35.7 | 41% | 0.412 | 23% | 0.232 | S | C | . | . | trans | -63 | 143.3 | 174.9 | -22.5 | 32.8 | 0 | 0 | 0 | 113.2 | P4108 L4178 I4179 | P4108-P4119 VanDerWaalsContact CD-O 3.31Å; P4108-P4119 WeakPolarHBondContact CD-O 3.42Å; P4108-P4119 WeakPolarHBondContact CG-O 3.35Å; P4119-L4178 CarbonylContact C-O 3.53Å; P4119-L4178 VanDerWaalsContact CA-O 3.24Å; P4119-L4178 WeakPolarHBondContact CA-O 3.43Å; P4119-I4179 HydrophobicContact CG-CD1 4.29Å | ||
| 4120 | F | 87.9 | Confident | 86.1 | Confident | 4.5 Ų | 4.5 | 33 Ų | 33 | 2% | 0.02 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 167.4 | 175.7 | 68.2 | -84.9 | 0 | 0 | 0 | 111.8 | I4105 V4114 M4122 L4178 F4180 F4207 | I4105-F4120 HydrophobicContact CG1-CE2 4.47Å; I4105-F4120 HydrophobicContact CG2-CD2 3.79Å; I4105-F4120 HydrophobicContact CG2-CE2 4.33Å; I4105-F4120 HydrophobicContact CG2-CG 4.46Å; V4114-F4120 HydrophobicContact CG1-CD1 3.73Å; V4114-F4120 HydrophobicContact CG1-CE1 3.92Å; V4114-F4120 HydrophobicContact CG1-CG 4.38Å; V4114-F4120 HydrophobicContact CG2-CD1 4.23Å; V4114-F4120 HydrophobicContact CG2-CD2 4.45Å; V4114-F4120 HydrophobicContact CG2-CG 4.18Å; F4120-M4122 HydrophobicContact CE2-CE 4.31Å; F4120-L4178 HydrophobicContact CD1-CB 4.09Å; F4120-L4178 WeakPolarHBondContact CD1-O 3.42Å; F4120-L4178 HydrophobicContact CD2-CB 4.17Å; F4120-L4178 HydrophobicContact CD2-CD1 4.46Å; F4120-L4178 HydrophobicContact CE1-CB 3.65Å; F4120-L4178 WeakPolarHBondContact CE1-O 3.41Å; F4120-L4178 HydrophobicContact CE2-CB 3.77Å; F4120-L4178 HydrophobicContact CE2-CD1 3.78Å; F4120-L4178 HydrophobicContact CE2-CG 4.44Å; F4120-L4178 HydrophobicContact CG-CB 4.33Å; F4120-L4178 HydrophobicContact CZ-CB 3.47Å; F4120-L4178 VanDerWaalsContact CZ-CB 3.47Å; F4120-L4178 HydrophobicContact CZ-CD1 4.08Å; F4120-L4178 HydrophobicContact CZ-CG 4.44Å; F4120-L4178 PolarHBondContact N-O 2.73Å; F4120-L4178 PolarHBondContact O-N 2.72Å; F4120-L4178 VanDerWaalsContact O-N 3.09Å; F4120-F4180 AromaticContact CE1-CD2 3.65Å; F4120-F4180 HydrophobicContact CE1-CD2 3.65Å; F4120-F4180 AromaticContact CE1-CE2 3.52Å; F4120-F4180 HydrophobicContact CE1-CE2 3.52Å; F4120-F4180 HydrophobicContact CZ-CD2 4.14Å; F4120-F4180 AromaticContact CZ-CE2 3.5Å; F4120-F4180 HydrophobicContact CZ-CE2 3.5Å; F4120-F4180 VanDerWaalsContact CZ-CE2 3.49Å; F4120-F4180 HydrophobicContact CZ-CZ 4.32Å; F4120-F4207 HydrophobicContact CZ-CZ 4.27Å |
| 4121 | L | 90 | Very high | 86.5 | Confident | 57.5 Ų | 57.5 | 32.2 Ų | 32.2 | 30% | 0.301 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 153.4 | 179 | -60.5 | 165.7 | 0 | 0 | 0 | 111 | I4106 L4174 I4175 S4176 | I4106-L4121 HydrophobicContact CB-CB 4.04Å; I4106-L4121 HydrophobicContact CG2-CB 4.46Å; I4106-L4121 HydrophobicContact CG2-CD1 4.37Å; I4106-L4121 PolarHBondContact N-O 3.07Å; I4106-L4121 PolarHBondContact O-N 3.09Å; L4121-L4174 HydrophobicContact CB-CD1 4.48Å; L4121-L4174 HydrophobicContact CD2-CD1 4.41Å; L4121-L4174 HydrophobicContact CD2-CD2 4.32Å; L4121-L4174 HydrophobicContact CD2-CG 4.21Å; L4121-I4175 CarbonylContact C-O 3.54Å; L4121-I4175 WeakPolarHBondContact CA-O 3.25Å; L4121-S4176 VanDerWaalsContact CD2-CA 3.43Å; L4121-S4176 VanDerWaalsContact CD2-CB 3.46Å |
| 4122 | M | 90.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 127.5 | 172.6 | -170.2 | 179.9 | -69.4 | 0 | 0 | 110.6 | V4103 K4104 F4120 I4124 I4148 I4175 L4178 L4188 V4190 | V4103-M4122 HydrophobicContact CG1-CE 4.26Å; V4103-M4122 HydrophobicContact CG1-CG 3.4Å; V4103-M4122 VanDerWaalsContact CG1-CG 3.43Å; V4103-M4122 HydrophobicContact CG1-SD 3.47Å; V4103-M4122 WeakPolarHBondContact CG1-SD 3.38Å; K4104-M4122 CarbonylContact O-C 3.58Å; K4104-M4122 WeakPolarHBondContact O-CA 3.29Å; F4120-M4122 HydrophobicContact CE2-CE 4.31Å; M4122-I4124 HydrophobicContact CG-CG1 4.37Å; M4122-I4124 HydrophobicContact SD-CG1 4.46Å; M4122-I4148 HydrophobicContact CE-CD1 4.5Å; M4122-I4148 HydrophobicContact SD-CD1 3.69Å; M4122-I4148 VanDerWaalsContact SD-CD1 3.57Å; M4122-I4175 HydrophobicContact CB-CB 4.34Å; M4122-I4175 PolarHBondContact N-O 2.87Å; M4122-I4175 PolarHBondContact O-N 2.78Å; M4122-L4178 HydrophobicContact CB-CD1 3.8Å; M4122-L4178 HydrophobicContact CE-CD1 3.86Å; M4122-L4178 HydrophobicContact SD-CD1 4.44Å; M4122-L4188 HydrophobicContact CE-CD1 3.38Å; M4122-L4188 VanDerWaalsContact CE-CD1 3.4Å; M4122-V4190 HydrophobicContact SD-CG2 4.29Å |
| 4123 | E | 92.1 | Very high | 87.1 | Confident | 42.5 Ų | 42.5 | 31.1 Ų | 31.1 | 20% | 0.199 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 124.9 | 172.1 | -178.7 | -170 | 133.7 | 0 | 0 | 108.8 | V4103 K4104 I4106 A4173 L4174 | V4103-E4123 CarbonylContact C-O 3.55Å; V4103-E4123 VanDerWaalsContact CA-O 3.29Å; V4103-E4123 WeakPolarHBondContact CA-O 3.3Å; K4104-E4123 HydrophobicContact CB-CB 4.33Å; K4104-E4123 PolarHBondContact N-O 2.76Å; K4104-E4123 IonicContact NZ-OE1 2.89Å; K4104-E4123 PolarHBondContact NZ-OE1 3.12Å; K4104-E4123 PolarHBondContact O-N 2.98Å; I4106-E4123 HydrophobicContact CD1-CB 4.27Å; E4123-A4173 WeakPolarHBondContact CA-O 3.45Å; E4123-L4174 HydrophobicContact CB-CD1 4.31Å |
| 4124 | I | 93.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.3 | 174.4 | -56.4 | 174.1 | 0 | 0 | 0 | 108.5 | Q4102 M4122 Y4146 I4148 F4165 T4172 A4173 I4175 V4190 V4192 | Q4102-I4124 WeakPolarHBondContact O-CA 3.47Å; M4122-I4124 HydrophobicContact CG-CG1 4.37Å; M4122-I4124 HydrophobicContact SD-CG1 4.46Å; I4124-Y4146 HydrophobicContact CD1-CD2 3.49Å; I4124-Y4146 VanDerWaalsContact CD1-CD2 3.46Å; I4124-Y4146 HydrophobicContact CD1-CE2 3.85Å; I4124-Y4146 HydrophobicContact CD1-CG 3.96Å; I4124-I4148 HydrophobicContact CD1-CD1 4.07Å; I4124-I4148 HydrophobicContact CD1-CG1 4.34Å; I4124-F4165 HydrophobicContact CG2-CZ 4.12Å; I4124-T4172 CarbonylContact O-C 3.52Å; I4124-T4172 WeakPolarHBondContact O-CA 3.42Å; I4124-A4173 HydrophobicContact CB-CB 4.41Å; I4124-A4173 PolarHBondContact N-O 2.92Å; I4124-A4173 PolarHBondContact O-N 3.03Å; I4124-I4175 HydrophobicContact CD1-CD1 3.53Å; I4124-I4175 HydrophobicContact CD1-CG1 4.48Å; I4124-I4175 HydrophobicContact CG1-CD1 4.3Å; I4124-V4190 HydrophobicContact CD1-CG1 3.71Å; I4124-V4190 HydrophobicContact CG1-CG1 4.15Å; I4124-V4190 HydrophobicContact CG2-CG1 4.11Å; I4124-V4192 HydrophobicContact CG2-CG2 3.64Å |
| 4125 | S | 92.7 | Very high | 87 | Confident | 0.5 Ų | 0.5 | 35.2 Ų | 35.2 | 0% | 0.003 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 167.9 | 173.7 | 63.8 | 0 | 0 | 0 | 0 | 110.4 | S4101 Q4102 | S4101-S4125 CarbonylContact C-O 3.44Å; S4101-S4125 WeakPolarHBondContact CA-O 3.42Å; Q4102-S4125 PolarHBondContact N-O 3.14Å; Q4102-S4125 PolarHBondContact O-N 2.83Å |
| 4126 | T | 91.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 143.9 | 168.3 | 52.8 | 0 | 0 | 0 | 0 | 109.8 | P4098 K4100 I4133 V4134 L4137 V4192 L4201 | P4098-T4126 HydrophobicContact CB-CG2 4.1Å; K4100-T4126 CarbonylContact O-C 3.55Å; K4100-T4126 WeakPolarHBondContact O-CA 3.43Å; T4126-I4133 WeakPolarHBondContact O-CA 3.25Å; T4126-V4134 PolarHBondContact O-N 2.99Å; T4126-V4134 WeakPolarHBondContact OG1-CB 3.39Å; T4126-L4137 HydrophobicContact CG2-CD1 4.4Å; T4126-L4137 HydrophobicContact CG2-CD2 4.24Å; T4126-L4137 WeakPolarHBondContact OG1-CD1 3.33Å; T4126-V4192 HydrophobicContact CG2-CB 4.11Å; T4126-V4192 HydrophobicContact CG2-CG1 4.03Å; T4126-V4192 HydrophobicContact CG2-CG2 4.12Å; T4126-L4201 HydrophobicContact CG2-CD1 3.98Å |
| 4127 | L | 90 | Very high | 87.2 | Confident | 8.5 Ų | 8.5 | 35.4 Ų | 35.4 | 5% | 0.045 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 142.4 | 179 | -53.3 | 176.7 | 0 | 0 | 0 | 110.7 | V4099 K4100 Q4102 N4132 I4133 | V4099-L4127 PolarHBondContact N-O 2.93Å; K4100-L4127 HydrophobicContact CD-CB 4.35Å; K4100-L4127 HydrophobicContact CD-CD1 4.17Å; K4100-L4127 VanDerWaalsContact CE-CD1 3.46Å; K4100-L4127 HydrophobicContact CG-CB 3.77Å; K4100-L4127 HydrophobicContact CG-CD1 4.28Å; K4100-L4127 HydrophobicContact CG-CG 4.38Å; K4100-L4127 PolarHBondContact N-O 3.15Å; K4100-L4127 PolarHBondContact O-N 2.87Å; Q4102-L4127 HydrophobicContact CB-CD1 3.78Å; Q4102-L4127 HydrophobicContact CB-CD2 4.36Å; Q4102-L4127 HydrophobicContact CB-CG 3.89Å; Q4102-L4127 HydrophobicContact CG-CD1 4.36Å; L4127-N4132 CarbonylContact C-O 3.52Å; L4127-N4132 VanDerWaalsContact CA-O 3.22Å; L4127-N4132 WeakPolarHBondContact CA-O 3.45Å; L4127-I4133 HydrophobicContact CD2-CB 4.49Å; L4127-I4133 HydrophobicContact CD2-CG1 3.84Å |
| 4128 | D | 86.4 | Confident | 87.5 | Confident | 14 Ų | 14 | 33.7 Ų | 33.7 | 8% | 0.075 | 20% | 0.201 | C | C | . | . | trans | -74.7 | 178.7 | 169.1 | 71.5 | 13.6 | 0 | 0 | 0 | 112 | Q4096 I4097 S4130 G4131 N4132 V4134 | Q4096-D4128 HydrophobicContact CB-CB 4.21Å; Q4096-D4128 HydrophobicContact CG-CB 4.49Å; Q4096-D4128 PolarHBondContact NE2-OD2 3.2Å; I4097-D4128 WeakPolarHBondContact O-CA 3.29Å; D4128-S4130 PolarHBondContact O-N 3.07Å; D4128-S4130 VanDerWaalsContact OD1-C 3.31Å; D4128-S4130 VanDerWaalsContact OD1-CA 3.28Å; D4128-S4130 WeakPolarHBondContact OD1-CA 3.05Å; D4128-S4130 WeakPolarHBondContact OD1-CB 3.33Å; D4128-S4130 PolarHBondContact OD1-N 3.14Å; D4128-G4131 PolarHBondContact O-N 3.11Å; D4128-G4131 PolarHBondContact OD1-N 3.04Å; D4128-N4132 PolarHBondContact N-O 3.19Å; D4128-N4132 PolarHBondContact OD1-N 2.89Å; D4128-V4134 HydrophobicContact CB-CG2 4.17Å | ||
| 4129 | S | 82.7 | Confident | 87.3 | Confident | 106.5 Ų | 106.5 | 33.8 Ų | 33.8 | 75% | 0.745 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22 | 177.3 | 56.6 | 0 | 0 | 0 | 0 | 113.8 | G4131 | S4129-G4131 VanDerWaalsContact C-N 3.35Š|
| 4130 | S | 84.4 | Confident | 86.6 | Confident | 92.5 Ų | 92.5 | 36.8 Ų | 36.8 | 65% | 0.647 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -4.2 | 175.9 | -59.9 | 0 | 0 | 0 | 0 | 112.8 | D4128 | D4128-S4130 PolarHBondContact O-N 3.07Å; D4128-S4130 VanDerWaalsContact OD1-C 3.31Å; D4128-S4130 VanDerWaalsContact OD1-CA 3.28Å; D4128-S4130 WeakPolarHBondContact OD1-CA 3.05Å; D4128-S4130 WeakPolarHBondContact OD1-CB 3.33Å; D4128-S4130 PolarHBondContact OD1-N 3.14Å |
| 4131 | G | 84 | Confident | 85.9 | Confident | 34 Ų | 34 | 39.3 Ų | 39.3 | 35% | 0.351 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 82.4 | 12.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | D4128 S4129 | D4128-G4131 PolarHBondContact O-N 3.11Å; D4128-G4131 PolarHBondContact OD1-N 3.04Å; S4129-G4131 VanDerWaalsContact C-N 3.35Å |
| 4132 | N | 87.3 | Confident | 85.4 | Confident | 91.5 Ų | 91.5 | 37.4 Ų | 37.4 | 49% | 0.489 | 23% | 0.225 | S | C | . | . | trans | -87.9 | 149 | 174.9 | -59.1 | -53.5 | 0 | 0 | 0 | 110.6 | L4127 D4128 V4134 | L4127-N4132 CarbonylContact C-O 3.52Å; L4127-N4132 VanDerWaalsContact CA-O 3.22Å; L4127-N4132 WeakPolarHBondContact CA-O 3.45Å; D4128-N4132 PolarHBondContact N-O 3.19Å; D4128-N4132 PolarHBondContact OD1-N 2.89Å; N4132-V4134 PolarHBondContact O-N 2.83Å | ||
| 4133 | I | 88.1 | Confident | 85.2 | Confident | 46 Ų | 46 | 40 Ų | 40 | 24% | 0.236 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -62 | 130.6 | 173 | -62.3 | 172.9 | 0 | 0 | 0 | 109.1 | Q4096 T4126 L4127 K4135 T4172 | Q4096-I4133 PolarHBondContact NE2-O 2.96Å; Q4096-I4133 PolarHBondContact OE1-O 3.25Å; T4126-I4133 WeakPolarHBondContact O-CA 3.25Å; L4127-I4133 HydrophobicContact CD2-CB 4.49Å; L4127-I4133 HydrophobicContact CD2-CG1 3.84Å; I4133-K4135 HydrophobicContact CG2-CD 4.47Å; I4133-K4135 HydrophobicContact CG2-CG 4.02Å; I4133-K4135 PolarHBondContact O-N 2.93Å; I4133-T4172 HydrophobicContact CD1-CG2 4.12Å; I4133-T4172 HydrophobicContact CG2-CG2 4.25Å |
| 4134 | V | 88.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -69.8 | 115.7 | 176.6 | 174.1 | 0 | 0 | 0 | 0 | 109.6 | Q4096 P4098 T4126 D4128 N4132 L4137 | Q4096-V4134 HydrophobicContact CB-CB 4.32Å; Q4096-V4134 HydrophobicContact CB-CG1 4.01Å; Q4096-V4134 HydrophobicContact CB-CG2 4.09Å; Q4096-V4134 WeakPolarHBondContact O-CG1 3.36Å; P4098-V4134 HydrophobicContact CB-CG2 3.98Å; T4126-V4134 PolarHBondContact O-N 2.99Å; T4126-V4134 WeakPolarHBondContact OG1-CB 3.39Å; D4128-V4134 HydrophobicContact CB-CG2 4.17Å; N4132-V4134 PolarHBondContact O-N 2.83Å; V4134-L4137 HydrophobicContact CB-CD1 4.4Å; V4134-L4137 HydrophobicContact CG1-CB 4.4Å; V4134-L4137 HydrophobicContact CG1-CD1 3.97Å | ||
| 4135 | K | 83.9 | Confident | 85.1 | Confident | 115.5 Ų | 115.5 | 38.2 Ų | 38.2 | 50% | 0.502 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -140.4 | 124.6 | 176.6 | -1.5 | -174.6 | -172.7 | -173.5 | 0 | 110.1 | Q4096 I4133 T4169 T4170 | Q4096-K4135 PolarHBondContact OE1-O 2.79Å; I4133-K4135 HydrophobicContact CG2-CD 4.47Å; I4133-K4135 HydrophobicContact CG2-CG 4.02Å; I4133-K4135 PolarHBondContact O-N 2.93Å; K4135-T4169 WeakPolarHBondContact CB-O 3.29Å; K4135-T4170 WeakPolarHBondContact CD-O 3.4Å; K4135-T4170 WeakPolarHBondContact CE-O 3.3Å; K4135-T4170 WeakPolarHBondContact CG-O 3.15Å |
| 4136 | P | 83 | Confident | 85.1 | Confident | 13.5 Ų | 13.5 | 39 Ų | 39 | 9% | 0.088 | 23% | 0.233 | C | C | . | . | S | Bend | cis | -72.4 | 152.1 | -5.6 | 31 | -35.5 | 0 | 0 | 0 | 112 | Q4049 E4093 P4168 | Q4049-P4136 PolarHBondContact NE2-O 2.66Å; E4093-P4136 WeakPolarHBondContact OE1-CD 3.42Å; P4136-P4168 CarbonylContact C-O 3.5Å; P4136-P4168 WeakPolarHBondContact CA-O 3.15Å; P4136-P4168 WeakPolarHBondContact CB-O 3.28Å |
| 4137 | L | 87.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -102.2 | 95.7 | 169.4 | -177.3 | 65 | 0 | 0 | 0 | 109.5 | P4098 T4126 V4134 W4144 F4165 P4168 | P4098-L4137 HydrophobicContact CB-CD1 4.34Å; P4098-L4137 HydrophobicContact CG-CD1 4.2Å; T4126-L4137 HydrophobicContact CG2-CD1 4.4Å; T4126-L4137 HydrophobicContact CG2-CD2 4.24Å; T4126-L4137 WeakPolarHBondContact OG1-CD1 3.33Å; V4134-L4137 HydrophobicContact CB-CD1 4.4Å; V4134-L4137 HydrophobicContact CG1-CB 4.4Å; V4134-L4137 HydrophobicContact CG1-CD1 3.97Å; L4137-W4144 HydrophobicContact CD1-CD2 3.69Å; L4137-W4144 HydrophobicContact CD1-CE3 4.17Å; L4137-W4144 HydrophobicContact CD1-CG 3.88Å; L4137-W4144 HydrophobicContact CD1-CZ2 4.39Å; L4137-W4144 HydrophobicContact CD1-CZ3 4.41Å; L4137-W4144 HydrophobicContact CD2-CB 4.1Å; L4137-W4144 HydrophobicContact CD2-CG 4.26Å; L4137-W4144 HydrophobicContact CG-CB 4.02Å; L4137-W4144 HydrophobicContact CG-CD2 4.08Å; L4137-W4144 HydrophobicContact CG-CG 3.71Å; L4137-F4165 HydrophobicContact CD2-CD1 3.97Å; L4137-F4165 HydrophobicContact CD2-CD2 4.13Å; L4137-F4165 HydrophobicContact CD2-CE1 3.85Å; L4137-F4165 HydrophobicContact CD2-CE2 4.01Å; L4137-F4165 HydrophobicContact CD2-CG 4.11Å; L4137-F4165 HydrophobicContact CD2-CZ 3.87Å; L4137-P4168 PolarHBondContact N-O 2.95Å; L4137-P4168 WeakPolarHBondContact O-CA 3.29Å; L4137-P4168 WeakPolarHBondContact O-CB 3.4Å | ||
| 4138 | G | 85.4 | Confident | 85.1 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 77.7 | -154.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q4049 S4142 W4144 | Q4049-G4138 VanDerWaalsContact OE1-CA 3.31Å; G4138-S4142 WeakPolarHBondContact CA-O 3.33Å; G4138-W4144 VanDerWaalsContact CA-CD1 3.47Å |
| 4139 | S | 78.6 | Confident | 85.1 | Confident | 17 Ų | 17 | 42.8 Ų | 42.8 | 12% | 0.119 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 171.8 | 178.5 | 68.1 | 0 | 0 | 0 | 0 | 110.2 | S4042 S4141 S4142 I4143 | S4042-S4139 VanDerWaalsContact CB-OG 3.3Å; S4042-S4139 WeakPolarHBondContact CB-OG 3.25Å; S4042-S4139 WeakPolarHBondContact OG-CB 3.45Å; S4042-S4139 PolarHBondContact OG-OG 3.37Å; S4139-S4141 PolarHBondContact O-N 2.94Å; S4139-S4141 VanDerWaalsContact O-N 3.16Å; S4139-S4141 PolarHBondContact OG-N 2.61Å; S4139-S4141 PolarHBondContact OG-OG 3.29Å; S4139-S4142 PolarHBondContact N-O 2.84Å; S4139-S4142 CarbonylContact O-C 3.5Å; S4139-S4142 PolarHBondContact O-N 2.94Å; S4139-S4142 VanDerWaalsContact O-N 3.08Å; S4139-S4142 VanDerWaalsContact O-O 3.08Å; S4139-S4142 PolarHBondContact OG-N 3.15Å; S4139-I4143 WeakPolarHBondContact O-CG1 3.34Å; S4139-I4143 PolarHBondContact O-N 3.41Å |
| 4140 | N | 71.6 | Confident | 85.1 | Confident | 125 Ų | 125 | 39.1 Ų | 39.1 | 67% | 0.668 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -25.5 | 177.3 | -72 | -16.1 | 0 | 0 | 0 | 113.6 | I4143 | N4140-I4143 WeakPolarHBondContact O-CD1 3.42Š|
| 4141 | S | 71.4 | Confident | 84.5 | Confident | 57.5 Ų | 57.5 | 39 Ų | 39 | 40% | 0.402 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -13.3 | 175.2 | 61.8 | 0 | 0 | 0 | 0 | 113.8 | S4042 S4139 | S4042-S4141 WeakPolarHBondContact CB-OG 3.29Å; S4042-S4141 PolarHBondContact OG-OG 3.01Å; S4139-S4141 PolarHBondContact O-N 2.94Å; S4139-S4141 VanDerWaalsContact O-N 3.16Å; S4139-S4141 PolarHBondContact OG-N 2.61Å; S4139-S4141 PolarHBondContact OG-OG 3.29Å |
| 4142 | S | 80.1 | Confident | 83.8 | Confident | 18 Ų | 18 | 41.6 Ų | 41.6 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 80 | 179.4 | -121.9 | 0 | 0 | 0 | 0 | 109.7 | T4046 G4138 S4139 P4195 | T4046-S4142 WeakPolarHBondContact OG1-CB 3.47Å; T4046-S4142 PolarHBondContact OG1-OG 3.14Å; G4138-S4142 WeakPolarHBondContact CA-O 3.33Å; S4139-S4142 PolarHBondContact N-O 2.84Å; S4139-S4142 CarbonylContact O-C 3.5Å; S4139-S4142 PolarHBondContact O-N 2.94Å; S4139-S4142 VanDerWaalsContact O-N 3.08Å; S4139-S4142 VanDerWaalsContact O-O 3.08Å; S4139-S4142 PolarHBondContact OG-N 3.15Å; S4142-P4195 VanDerWaalsContact C-CG 3.44Å; S4142-P4195 WeakPolarHBondContact O-CG 3.42Å |
| 4143 | I | 86 | Confident | 82.6 | Confident | 55 Ų | 55 | 41.6 Ų | 41.6 | 28% | 0.282 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131.5 | -173.1 | -53.7 | 170.7 | 0 | 0 | 0 | 110.1 | S4139 N4140 N4164 F4165 P4168 | S4139-I4143 WeakPolarHBondContact O-CG1 3.34Å; S4139-I4143 PolarHBondContact O-N 3.41Å; N4140-I4143 WeakPolarHBondContact O-CD1 3.42Å; I4143-N4164 HydrophobicContact CG2-CB 3.84Å; I4143-F4165 HydrophobicContact CG2-CB 4.32Å; I4143-F4165 WeakPolarHBondContact CG2-O 3.45Å; I4143-P4168 HydrophobicContact CG1-CG 4.28Å; I4143-P4168 HydrophobicContact CG2-CG 4.47Å |
| 4144 | W | 91.3 | Very high | 81.6 | Confident | 1.5 Ų | 1.5 | 43.3 Ų | 43.3 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | trans | -71.9 | 156.4 | 174.1 | -73.5 | 66 | 0 | 0 | 0 | 111.2 | Q4049 T4050 P4098 L4137 G4138 N4164 F4165 V4192 S4194 P4195 T4199 | Q4049-W4144 HydrophobicContact CB-CH2 4.47Å; Q4049-W4144 HydrophobicContact CB-CZ2 3.77Å; Q4049-W4144 VanDerWaalsContact OE1-NE1 3.16Å; T4050-W4144 HydrophobicContact CG2-CZ2 4.36Å; P4098-W4144 HydrophobicContact CB-CH2 4.46Å; P4098-W4144 HydrophobicContact CB-CZ3 4.49Å; P4098-W4144 HydrophobicContact CG-CH2 3.42Å; P4098-W4144 HydrophobicContact CG-CZ2 3.79Å; P4098-W4144 HydrophobicContact CG-CZ3 3.99Å; L4137-W4144 HydrophobicContact CD1-CD2 3.69Å; L4137-W4144 HydrophobicContact CD1-CE3 4.17Å; L4137-W4144 HydrophobicContact CD1-CG 3.88Å; L4137-W4144 HydrophobicContact CD1-CZ2 4.39Å; L4137-W4144 HydrophobicContact CD1-CZ3 4.41Å; L4137-W4144 HydrophobicContact CD2-CB 4.1Å; L4137-W4144 HydrophobicContact CD2-CG 4.26Å; L4137-W4144 HydrophobicContact CG-CB 4.02Å; L4137-W4144 HydrophobicContact CG-CD2 4.08Å; L4137-W4144 HydrophobicContact CG-CG 3.71Å; G4138-W4144 VanDerWaalsContact CA-CD1 3.47Å; W4144-N4164 CarbonylContact O-C 3.46Å; W4144-N4164 WeakPolarHBondContact O-CA 3.3Å; W4144-F4165 HydrophobicContact CB-CD2 3.91Å; W4144-F4165 HydrophobicContact CB-CE2 4.35Å; W4144-F4165 WeakPolarHBondContact O-CD2 3.27Å; W4144-F4165 PolarHBondContact O-N 2.88Å; W4144-V4192 HydrophobicContact CE3-CG1 3.75Å; W4144-V4192 HydrophobicContact CZ3-CG1 4.28Å; W4144-S4194 VanDerWaalsContact CA-O 3.3Å; W4144-S4194 WeakPolarHBondContact CA-O 3.42Å; W4144-S4194 VanDerWaalsContact CE3-CA 3.44Å; W4144-P4195 VanDerWaalsContact CD2-CD 3.48Å; W4144-P4195 VanDerWaalsContact CE2-CD 3.48Å; W4144-P4195 HydrophobicContact CZ2-CG 4.17Å; W4144-T4199 HydrophobicContact CH2-CG2 4.29Å | ||
| 4145 | S | 91.8 | Very high | 81.1 | Confident | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.014 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 156.6 | 179 | 9.2 | 0 | 0 | 0 | 0 | 112.6 | K4162 T4163 N4164 V4192 I4193 S4194 | S4145-K4162 WeakPolarHBondContact OG-CE 3.42Å; S4145-T4163 CarbonylContact C-O 3.46Å; S4145-T4163 WeakPolarHBondContact CA-O 3.4Å; S4145-T4163 VanDerWaalsContact CB-O 3.27Å; S4145-T4163 WeakPolarHBondContact CB-O 3.37Å; S4145-N4164 PolarHBondContact OG-OD1 3.35Å; S4145-V4192 CarbonylContact O-C 3.51Å; S4145-V4192 WeakPolarHBondContact O-CA 3.45Å; S4145-I4193 PolarHBondContact N-O 2.9Å; S4145-I4193 PolarHBondContact O-N 3.26Å; S4145-S4194 PolarHBondContact N-O 3.22Å; S4145-S4194 VanDerWaalsContact N-O 3.17Å; S4145-S4194 PolarHBondContact O-N 2.79Å; S4145-S4194 WeakPolarHBondContact OG-CB 3.16Å |
| 4146 | Y | 92.5 | Very high | 80.7 | Confident | 18.5 Ų | 18.5 | 39.2 Ų | 39.2 | 7% | 0.073 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 159.5 | 177.1 | 67.1 | -89.9 | 0 | 0 | 0 | 112.3 | I4124 V4160 K4162 T4163 F4165 A4173 I4175 S4191 | I4124-Y4146 HydrophobicContact CD1-CD2 3.49Å; I4124-Y4146 VanDerWaalsContact CD1-CD2 3.46Å; I4124-Y4146 HydrophobicContact CD1-CE2 3.85Å; I4124-Y4146 HydrophobicContact CD1-CG 3.96Å; Y4146-V4160 HydrophobicContact CE2-CG1 4.06Å; Y4146-K4162 WeakPolarHBondContact O-CA 3.43Å; Y4146-T4163 WeakPolarHBondContact CD1-O 3.32Å; Y4146-T4163 HydrophobicContact CE1-CG2 4.2Å; Y4146-T4163 PolarHBondContact N-O 3.19Å; Y4146-T4163 PolarHBondContact O-N 3.44Å; Y4146-F4165 AromaticContact CD1-CD2 3.97Å; Y4146-F4165 HydrophobicContact CD1-CD2 4.04Å; Y4146-F4165 AromaticContact CD1-CE2 3.89Å; Y4146-F4165 HydrophobicContact CD1-CE2 3.89Å; Y4146-F4165 HydrophobicContact CD1-CZ 4.31Å; Y4146-F4165 HydrophobicContact CG-CE2 4.44Å; Y4146-A4173 HydrophobicContact CD1-CB 3.92Å; Y4146-A4173 HydrophobicContact CE1-CB 3.42Å; Y4146-A4173 VanDerWaalsContact CE1-CB 3.47Å; Y4146-I4175 HydrophobicContact CD2-CD1 4.08Å; Y4146-I4175 HydrophobicContact CE2-CD1 3.58Å; Y4146-I4175 VanDerWaalsContact CE2-CD1 3.46Å; Y4146-I4175 HydrophobicContact CE2-CG1 4.13Å; Y4146-S4191 CarbonylContact C-O 3.54Å; Y4146-S4191 WeakPolarHBondContact CA-O 3.33Å |
| 4147 | E | 92 | Very high | 80.2 | Confident | 36.5 Ų | 36.5 | 44 Ų | 44 | 17% | 0.171 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 154.6 | 172.4 | 63.5 | 179.5 | -170.3 | 0 | 0 | 110.9 | V4160 V4190 S4191 I4193 R4200 | E4147-V4160 WeakPolarHBondContact CA-O 3.24Å; E4147-V4190 WeakPolarHBondContact O-CA 3.45Å; E4147-S4191 PolarHBondContact N-O 2.98Å; E4147-S4191 PolarHBondContact O-N 2.93Å; E4147-S4191 PolarHBondContact OE1-OG 3.01Å; E4147-I4193 HydrophobicContact CB-CD1 4.21Å; E4147-I4193 HydrophobicContact CG-CD1 4.05Å; E4147-I4193 HydrophobicContact CG-CG2 3.84Å; E4147-I4193 WeakPolarHBondContact OE1-CG2 3.3Å; E4147-R4200 IonicContact OE1-CZ 2.89Å; E4147-R4200 IonicContact OE1-NH1 3.17Å; E4147-R4200 PolarHBondContact OE1-NH1 2.99Å; E4147-R4200 IonicContact OE1-NH2 3.32Å; E4147-R4200 IonicContact OE2-NH1 2.67Å |
| 4148 | I | 90.2 | Very high | 79.7 | Confident | 0.5 Ų | 0.5 | 44.7 Ų | 44.7 | 0% | 0.003 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 132 | 178 | -51.4 | -177.8 | 0 | 0 | 0 | 110.1 | M4122 I4124 K4159 V4160 I4175 L4188 L4189 V4190 | M4122-I4148 HydrophobicContact CE-CD1 4.5Å; M4122-I4148 HydrophobicContact SD-CD1 3.69Å; M4122-I4148 VanDerWaalsContact SD-CD1 3.57Å; I4124-I4148 HydrophobicContact CD1-CD1 4.07Å; I4124-I4148 HydrophobicContact CD1-CG1 4.34Å; I4148-K4159 WeakPolarHBondContact O-CA 3.38Å; I4148-V4160 HydrophobicContact CB-CB 3.89Å; I4148-V4160 HydrophobicContact CB-CG2 4.08Å; I4148-V4160 HydrophobicContact CD1-CB 4.25Å; I4148-V4160 HydrophobicContact CD1-CG2 3.89Å; I4148-V4160 HydrophobicContact CG1-CB 3.98Å; I4148-V4160 HydrophobicContact CG1-CG2 4.15Å; I4148-V4160 PolarHBondContact N-O 3.26Å; I4148-V4160 PolarHBondContact O-N 2.93Å; I4148-I4175 HydrophobicContact CD1-CD1 3.37Å; I4148-I4175 VanDerWaalsContact CD1-CD1 3.41Å; I4148-I4175 HydrophobicContact CG1-CD1 4.43Å; I4148-L4188 HydrophobicContact CG2-CB 4.48Å; I4148-L4188 HydrophobicContact CG2-CD2 4.4Å; I4148-L4189 CarbonylContact C-O 3.55Å; I4148-L4189 WeakPolarHBondContact CA-O 3.29Å; I4148-V4190 HydrophobicContact CD1-CG2 4.23Å; I4148-V4190 HydrophobicContact CG1-CG1 4.4Å; I4148-V4190 HydrophobicContact CG1-CG2 4.06Å; I4148-V4190 HydrophobicContact CG2-CG2 4.24Å |
| 4149 | L | 86.4 | Confident | 79.4 | Confident | 64.5 Ų | 64.5 | 52 Ų | 52 | 34% | 0.338 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.6 | 177.3 | -63.2 | 168.5 | 0 | 0 | 0 | 110.2 | K4159 L4189 | L4149-K4159 HydrophobicContact CD2-CD 4.4Å; L4149-K4159 HydrophobicContact CD2-CG 4.23Å; L4149-L4189 PolarHBondContact N-O 3.36Å; L4149-L4189 PolarHBondContact O-N 3.13Å |
| 4150 | Q | 82.6 | Confident | 79.7 | Confident | 29 Ų | 29 | 52.6 Ų | 52.6 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | trans | -109.9 | 107.7 | 171 | -180 | 171.2 | -21.4 | 0 | 0 | 109.5 | N4152 V4155 S4156 V4158 D4187 L4188 | Q4150-N4152 WeakPolarHBondContact CG-O 3.36Å; Q4150-N4152 PolarHBondContact NE2-O 3.14Å; Q4150-V4155 VanDerWaalsContact NE2-CG2 3.33Å; Q4150-V4155 PolarHBondContact NE2-O 2.9Å; Q4150-V4155 VanDerWaalsContact NE2-O 3.08Å; Q4150-S4156 PolarHBondContact OE1-O 3.15Å; Q4150-V4158 WeakPolarHBondContact CB-O 3.4Å; Q4150-V4158 PolarHBondContact N-O 3.13Å; Q4150-D4187 WeakPolarHBondContact CA-O 3.23Å; Q4150-D4187 WeakPolarHBondContact CG-O 3.35Å; Q4150-L4188 HydrophobicContact CB-CD2 3.83Å; Q4150-L4188 HydrophobicContact CG-CD2 4.11Å | ||
| 4151 | P | 72.6 | Confident | 80.4 | Confident | 89.5 Ų | 89.5 | 50.6 Ų | 50.6 | 58% | 0.581 | 30% | 0.302 | S | S | * | . | trans | -73.3 | -35.6 | -175 | -18.2 | 32.1 | 0 | 0 | 0 | 114.1 | D4187 L4189 | P4151-D4187 WeakPolarHBondContact CD-O 3.25Å; P4151-L4189 HydrophobicContact CG-CB 4.31Å | ||
| 4152 | N | 68.1 | Low | 81.2 | Confident | 90.5 Ų | 90.5 | 53 Ų | 53 | 48% | 0.484 | 31% | 0.305 | S | S | . | . | trans | -113.8 | 131.7 | -176.3 | -69.1 | -27.9 | 0 | 0 | 0 | 111.5 | Q4150 T4154 D4187 | Q4150-N4152 WeakPolarHBondContact CG-O 3.36Å; Q4150-N4152 PolarHBondContact NE2-O 3.14Å; N4152-T4154 PolarHBondContact O-N 3.42Å; N4152-D4187 HydrophobicContact CB-CB 4.47Å; N4152-D4187 PolarHBondContact ND2-OD2 2.85Å | ||
| 4153 | A | 62.2 | Low | 81.7 | Confident | 90.5 Ų | 90.5 | 54.7 Ų | 54.7 | 75% | 0.748 | 32% | 0.315 | S | S | * | . | trans | -99.6 | 55.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V4155 | A4153-V4155 VanDerWaalsContact C-N 3.29Š| ||
| 4154 | T | 68.1 | Low | 81.9 | Confident | 82 Ų | 82 | 56.3 Ų | 56.3 | 50% | 0.503 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -80.3 | -13 | 167.5 | 25.2 | 0 | 0 | 0 | 0 | 113.3 | N4152 Q4185 | N4152-T4154 PolarHBondContact O-N 3.42Å; T4154-Q4185 WeakPolarHBondContact CB-O 3.28Å; T4154-Q4185 PolarHBondContact OG1-O 3.31Å |
| 4155 | V | 76.9 | Confident | 81.9 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.024 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -138.9 | 168.2 | 173.7 | -63.9 | 0 | 0 | 0 | 0 | 108.1 | Q4150 A4153 F4180 A4186 V4209 | Q4150-V4155 VanDerWaalsContact NE2-CG2 3.33Å; Q4150-V4155 PolarHBondContact NE2-O 2.9Å; Q4150-V4155 VanDerWaalsContact NE2-O 3.08Å; A4153-V4155 VanDerWaalsContact C-N 3.29Å; V4155-F4180 HydrophobicContact CB-CD1 3.77Å; V4155-F4180 HydrophobicContact CB-CE1 4.31Å; V4155-F4180 HydrophobicContact CB-CG 4.43Å; V4155-F4180 HydrophobicContact CG2-CD1 3.38Å; V4155-F4180 HydrophobicContact CG2-CE1 3.4Å; V4155-F4180 VanDerWaalsContact CG2-CE1 3.43Å; V4155-F4180 HydrophobicContact CG2-CG 4.32Å; V4155-F4180 HydrophobicContact CG2-CZ 4.35Å; V4155-A4186 HydrophobicContact CG2-CB 3.8Å; V4155-V4209 HydrophobicContact CG1-CG2 4.36Å |
| 4156 | S | 75.3 | Confident | 81.6 | Confident | 26 Ų | 26 | 61.2 Ų | 61.2 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | trans | -52.7 | 136.1 | 178.5 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | Q4150 F4180 S4181 | Q4150-S4156 PolarHBondContact OE1-O 3.15Å; S4156-F4180 WeakPolarHBondContact O-CD1 3.42Å; S4156-F4180 WeakPolarHBondContact O-CE1 3.41Å; S4156-F4180 WeakPolarHBondContact OG-CA 3.34Å; S4156-S4181 VanDerWaalsContact CB-OG 3.32Å; S4156-S4181 WeakPolarHBondContact CB-OG 3.36Å; S4156-S4181 PolarHBondContact OG-N 3.24Å; S4156-S4181 VanDerWaalsContact OG-N 3.16Å; S4156-S4181 PolarHBondContact OG-OG 2.86Å | ||
| 4157 | P | 72.3 | Confident | 81.1 | Confident | 112.5 Ų | 112.5 | 63 Ų | 63 | 73% | 0.731 | 37% | 0.367 | S | S | * | . | trans | -71.5 | 135.1 | -171 | 27.6 | -34.6 | 0 | 0 | 0 | 113.7 | ||||
| 4158 | V | 77.6 | Confident | 80.6 | Confident | 15.5 Ų | 15.5 | 61.6 Ų | 61.6 | 9% | 0.094 | 36% | 0.36 | C | S | . | . | trans | -110.7 | 128.8 | 170.5 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | Q4150 L4178 F4180 L4188 | Q4150-V4158 WeakPolarHBondContact CB-O 3.4Å; Q4150-V4158 PolarHBondContact N-O 3.13Å; V4158-L4178 HydrophobicContact CG1-CD2 3.83Å; V4158-F4180 HydrophobicContact CG2-CD1 4.34Å; V4158-F4180 HydrophobicContact CG2-CE1 3.78Å; V4158-F4180 HydrophobicContact CG2-CZ 3.98Å; V4158-L4188 HydrophobicContact CB-CD2 4.13Å | ||
| 4159 | K | 79.8 | Confident | 80.1 | Confident | 157.5 Ų | 157.5 | 65.9 Ų | 65.9 | 69% | 0.685 | 39% | 0.387 | S | S | * | . | trans | -139.1 | 131.9 | 175.9 | -177.3 | 176 | -178.5 | -179.2 | 0 | 111.6 | I4148 L4149 | I4148-K4159 WeakPolarHBondContact O-CA 3.38Å; L4149-K4159 HydrophobicContact CD2-CD 4.4Å; L4149-K4159 HydrophobicContact CD2-CG 4.23Å | ||
| 4160 | V | 84.1 | Confident | 80 | Confident | 28 Ų | 28 | 65.3 Ų | 65.3 | 17% | 0.17 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 119.5 | 171.5 | -178 | 0 | 0 | 0 | 0 | 109 | Y4146 E4147 I4148 | Y4146-V4160 HydrophobicContact CE2-CG1 4.06Å; E4147-V4160 WeakPolarHBondContact CA-O 3.24Å; I4148-V4160 HydrophobicContact CB-CB 3.89Å; I4148-V4160 HydrophobicContact CB-CG2 4.08Å; I4148-V4160 HydrophobicContact CD1-CB 4.25Å; I4148-V4160 HydrophobicContact CD1-CG2 3.89Å; I4148-V4160 HydrophobicContact CG1-CB 3.98Å; I4148-V4160 HydrophobicContact CG1-CG2 4.15Å; I4148-V4160 PolarHBondContact N-O 3.26Å; I4148-V4160 PolarHBondContact O-N 2.93Å |
| 4161 | S | 86.5 | Confident | 80.1 | Confident | 84.5 Ų | 84.5 | 63.9 Ų | 63.9 | 59% | 0.591 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 164.6 | 176.4 | -61 | 0 | 0 | 0 | 0 | 111.8 | T4163 | S4161-T4163 PolarHBondContact O-N 3.3Å; S4161-T4163 PolarHBondContact O-OG1 2.99Å |
| 4162 | K | 89 | Confident | 81 | Confident | 106.5 Ų | 106.5 | 61.4 Ų | 61.4 | 46% | 0.463 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -47 | 112.5 | 177.3 | -176.4 | 177.8 | 179.9 | -178.1 | 0 | 111.5 | S4145 Y4146 I4193 S4194 E4197 | S4145-K4162 WeakPolarHBondContact OG-CE 3.42Å; Y4146-K4162 WeakPolarHBondContact O-CA 3.43Å; K4162-I4193 HydrophobicContact CB-CD1 3.78Å; K4162-I4193 HydrophobicContact CD-CD1 4.15Å; K4162-I4193 HydrophobicContact CD-CG1 4.48Å; K4162-I4193 HydrophobicContact CG-CD1 3.98Å; K4162-I4193 HydrophobicContact CG-CG1 4.35Å; K4162-S4194 PolarHBondContact NZ-OG 2.81Å; K4162-E4197 VanDerWaalsContact CE-OE1 3.22Å; K4162-E4197 WeakPolarHBondContact CE-OE1 3.35Å; K4162-E4197 IonicContact NZ-OE1 2.73Å; K4162-E4197 PolarHBondContact NZ-OE1 3.26Å |
| 4163 | T | 91.5 | Very high | 82.1 | Confident | 55 Ų | 55 | 57.1 Ų | 57.1 | 34% | 0.337 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 138.3 | -175.2 | -57.9 | 0 | 0 | 0 | 0 | 109.9 | S4145 Y4146 S4161 | S4145-T4163 CarbonylContact C-O 3.46Å; S4145-T4163 WeakPolarHBondContact CA-O 3.4Å; S4145-T4163 VanDerWaalsContact CB-O 3.27Å; S4145-T4163 WeakPolarHBondContact CB-O 3.37Å; Y4146-T4163 WeakPolarHBondContact CD1-O 3.32Å; Y4146-T4163 HydrophobicContact CE1-CG2 4.2Å; Y4146-T4163 PolarHBondContact N-O 3.19Å; Y4146-T4163 PolarHBondContact O-N 3.44Å; S4161-T4163 PolarHBondContact O-N 3.3Å; S4161-T4163 PolarHBondContact O-OG1 2.99Å |
| 4164 | N | 90.3 | Very high | 83.5 | Confident | 88.5 Ų | 88.5 | 58 Ų | 58 | 47% | 0.473 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 150 | 179.9 | -73 | -4.9 | 0 | 0 | 0 | 112 | I4143 W4144 S4145 | I4143-N4164 HydrophobicContact CG2-CB 3.84Å; W4144-N4164 CarbonylContact O-C 3.46Å; W4144-N4164 WeakPolarHBondContact O-CA 3.3Å; S4145-N4164 PolarHBondContact OG-OD1 3.35Å |
| 4165 | F | 90.7 | Very high | 84.4 | Confident | 3.5 Ų | 3.5 | 54.9 Ų | 54.9 | 2% | 0.015 | 31% | 0.311 | C | S | . | . | trans | -63.5 | 133.4 | 163.8 | -82.2 | -101.6 | 0 | 0 | 0 | 109.3 | I4124 L4137 I4143 W4144 Y4146 A4173 V4192 | I4124-F4165 HydrophobicContact CG2-CZ 4.12Å; L4137-F4165 HydrophobicContact CD2-CD1 3.97Å; L4137-F4165 HydrophobicContact CD2-CD2 4.13Å; L4137-F4165 HydrophobicContact CD2-CE1 3.85Å; L4137-F4165 HydrophobicContact CD2-CE2 4.01Å; L4137-F4165 HydrophobicContact CD2-CG 4.11Å; L4137-F4165 HydrophobicContact CD2-CZ 3.87Å; I4143-F4165 HydrophobicContact CG2-CB 4.32Å; I4143-F4165 WeakPolarHBondContact CG2-O 3.45Å; W4144-F4165 HydrophobicContact CB-CD2 3.91Å; W4144-F4165 HydrophobicContact CB-CE2 4.35Å; W4144-F4165 WeakPolarHBondContact O-CD2 3.27Å; W4144-F4165 PolarHBondContact O-N 2.88Å; Y4146-F4165 AromaticContact CD1-CD2 3.97Å; Y4146-F4165 HydrophobicContact CD1-CD2 4.04Å; Y4146-F4165 AromaticContact CD1-CE2 3.89Å; Y4146-F4165 HydrophobicContact CD1-CE2 3.89Å; Y4146-F4165 HydrophobicContact CD1-CZ 4.31Å; Y4146-F4165 HydrophobicContact CG-CE2 4.44Å; F4165-A4173 HydrophobicContact CD1-CB 3.83Å; F4165-A4173 HydrophobicContact CE1-CB 3.87Å; F4165-A4173 HydrophobicContact CG-CB 4.4Å; F4165-A4173 HydrophobicContact CZ-CB 4.41Å; F4165-V4192 HydrophobicContact CE2-CG1 4.07Å; F4165-V4192 HydrophobicContact CE2-CG2 4.4Å; F4165-V4192 HydrophobicContact CZ-CG1 4.12Å; F4165-V4192 HydrophobicContact CZ-CG2 4.3Å | ||
| 4166 | P | 84.6 | Confident | 84.9 | Confident | 101.5 Ų | 101.5 | 58 Ų | 58 | 66% | 0.659 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -70.7 | -33.5 | -173.1 | 26 | -33.3 | 0 | 0 | 0 | 113 | ||
| 4167 | D | 83.2 | Confident | 85.1 | Confident | 58 Ų | 58 | 63 Ų | 63 | 31% | 0.31 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -139.9 | 109.5 | -178.9 | 179.9 | -0.9 | 0 | 0 | 0 | 110.7 | T4169 T4170 G4171 | D4167-T4169 PolarHBondContact O-N 2.86Å; D4167-T4169 WeakPolarHBondContact OD1-CB 3.15Å; D4167-T4169 PolarHBondContact OD1-N 3.13Å; D4167-T4169 PolarHBondContact OD1-OG1 3.11Å; D4167-T4169 PolarHBondContact OD2-OG1 3.21Å; D4167-T4170 HydrophobicContact CB-CG2 4.42Å; D4167-T4170 PolarHBondContact O-N 2.84Å; D4167-T4170 PolarHBondContact O-OG1 3.18Å; D4167-T4170 VanDerWaalsContact O-OG1 3.11Å; D4167-T4170 WeakPolarHBondContact OD2-CG2 3.37Å; D4167-G4171 PolarHBondContact O-N 3.2Å |
| 4168 | P | 81.6 | Confident | 85.7 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 4% | 0.039 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -29.4 | 175.5 | -25.9 | 35.5 | 0 | 0 | 0 | 113.7 | P4136 L4137 I4143 T4170 | P4136-P4168 CarbonylContact C-O 3.5Å; P4136-P4168 WeakPolarHBondContact CA-O 3.15Å; P4136-P4168 WeakPolarHBondContact CB-O 3.28Å; L4137-P4168 PolarHBondContact N-O 2.95Å; L4137-P4168 WeakPolarHBondContact O-CA 3.29Å; L4137-P4168 WeakPolarHBondContact O-CB 3.4Å; I4143-P4168 HydrophobicContact CG1-CG 4.28Å; I4143-P4168 HydrophobicContact CG2-CG 4.47Å; P4168-T4170 VanDerWaalsContact C-N 3.33Å; P4168-T4170 PolarHBondContact O-N 2.98Å |
| 4169 | T | 79.2 | Confident | 86 | Confident | 90.5 Ų | 90.5 | 61.5 Ų | 61.5 | 56% | 0.555 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -31.6 | -177.1 | 68.2 | 0 | 0 | 0 | 0 | 112.8 | K4135 D4167 | K4135-T4169 WeakPolarHBondContact CB-O 3.29Å; D4167-T4169 PolarHBondContact O-N 2.86Å; D4167-T4169 WeakPolarHBondContact OD1-CB 3.15Å; D4167-T4169 PolarHBondContact OD1-N 3.13Å; D4167-T4169 PolarHBondContact OD1-OG1 3.11Å; D4167-T4169 PolarHBondContact OD2-OG1 3.21Å |
| 4170 | T | 83.7 | Confident | 86.3 | Confident | 51.5 Ų | 51.5 | 54 Ų | 54 | 32% | 0.316 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -30.1 | 178.5 | 62 | 0 | 0 | 0 | 0 | 113 | K4135 D4167 P4168 T4172 | K4135-T4170 WeakPolarHBondContact CD-O 3.4Å; K4135-T4170 WeakPolarHBondContact CE-O 3.3Å; K4135-T4170 WeakPolarHBondContact CG-O 3.15Å; D4167-T4170 HydrophobicContact CB-CG2 4.42Å; D4167-T4170 PolarHBondContact O-N 2.84Å; D4167-T4170 PolarHBondContact O-OG1 3.18Å; D4167-T4170 VanDerWaalsContact O-OG1 3.11Å; D4167-T4170 WeakPolarHBondContact OD2-CG2 3.37Å; P4168-T4170 VanDerWaalsContact C-N 3.33Å; P4168-T4170 PolarHBondContact O-N 2.98Å; T4170-T4172 PolarHBondContact O-N 3.42Å; T4170-T4172 PolarHBondContact OG1-OG1 3.3Å |
| 4171 | G | 85.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 21.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | D4167 | D4167-G4171 PolarHBondContact O-N 3.2Š|
| 4172 | T | 90.5 | Very high | 85.5 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 23% | 0.227 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 143.7 | -176.6 | 56.3 | 0 | 0 | 0 | 0 | 112 | I4124 I4133 T4170 | I4124-T4172 CarbonylContact O-C 3.52Å; I4124-T4172 WeakPolarHBondContact O-CA 3.42Å; I4133-T4172 HydrophobicContact CD1-CG2 4.12Å; I4133-T4172 HydrophobicContact CG2-CG2 4.25Å; T4170-T4172 PolarHBondContact O-N 3.42Å; T4170-T4172 PolarHBondContact OG1-OG1 3.3Å |
| 4173 | A | 91.2 | Very high | 85.2 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | E4123 I4124 Y4146 F4165 | E4123-A4173 WeakPolarHBondContact CA-O 3.45Å; I4124-A4173 HydrophobicContact CB-CB 4.41Å; I4124-A4173 PolarHBondContact N-O 2.92Å; I4124-A4173 PolarHBondContact O-N 3.03Å; Y4146-A4173 HydrophobicContact CD1-CB 3.92Å; Y4146-A4173 HydrophobicContact CE1-CB 3.42Å; Y4146-A4173 VanDerWaalsContact CE1-CB 3.47Å; F4165-A4173 HydrophobicContact CD1-CB 3.83Å; F4165-A4173 HydrophobicContact CE1-CB 3.87Å; F4165-A4173 HydrophobicContact CG-CB 4.4Å; F4165-A4173 HydrophobicContact CZ-CB 4.41Å |
| 4174 | L | 90.8 | Very high | 84.8 | Confident | 108 Ų | 108 | 52.3 Ų | 52.3 | 57% | 0.565 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 123.6 | 178.2 | -169.9 | 74.5 | 0 | 0 | 0 | 110 | I4106 L4121 E4123 | I4106-L4174 HydrophobicContact CD1-CD1 4.37Å; L4121-L4174 HydrophobicContact CB-CD1 4.48Å; L4121-L4174 HydrophobicContact CD2-CD1 4.41Å; L4121-L4174 HydrophobicContact CD2-CD2 4.32Å; L4121-L4174 HydrophobicContact CD2-CG 4.21Å; E4123-L4174 HydrophobicContact CB-CD1 4.31Å |
| 4175 | I | 88.8 | Confident | 84.7 | Confident | 18.5 Ų | 18.5 | 52 Ų | 52 | 10% | 0.095 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 126.2 | 178.8 | -53.7 | 170.1 | 0 | 0 | 0 | 108.2 | L4121 M4122 I4124 Y4146 I4148 L4178 | L4121-I4175 CarbonylContact C-O 3.54Å; L4121-I4175 WeakPolarHBondContact CA-O 3.25Å; M4122-I4175 HydrophobicContact CB-CB 4.34Å; M4122-I4175 PolarHBondContact N-O 2.87Å; M4122-I4175 PolarHBondContact O-N 2.78Å; I4124-I4175 HydrophobicContact CD1-CD1 3.53Å; I4124-I4175 HydrophobicContact CD1-CG1 4.48Å; I4124-I4175 HydrophobicContact CG1-CD1 4.3Å; Y4146-I4175 HydrophobicContact CD2-CD1 4.08Å; Y4146-I4175 HydrophobicContact CE2-CD1 3.58Å; Y4146-I4175 VanDerWaalsContact CE2-CD1 3.46Å; Y4146-I4175 HydrophobicContact CE2-CG1 4.13Å; I4148-I4175 HydrophobicContact CD1-CD1 3.37Å; I4148-I4175 VanDerWaalsContact CD1-CD1 3.41Å; I4148-I4175 HydrophobicContact CG1-CD1 4.43Å; I4175-L4178 HydrophobicContact CG2-CD1 4.24Å; I4175-L4178 HydrophobicContact CG2-CD2 4.17Å; I4175-L4178 HydrophobicContact CG2-CG 4.19Å |
| 4176 | S | 86.7 | Confident | 84.5 | Confident | 69.5 Ų | 69.5 | 51.9 Ų | 51.9 | 49% | 0.486 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 161.5 | -177.5 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | L4121 L4178 | L4121-S4176 VanDerWaalsContact CD2-CA 3.43Å; L4121-S4176 VanDerWaalsContact CD2-CB 3.46Å; S4176-L4178 PolarHBondContact O-N 3.19Å |
| 4177 | N | 78.3 | Confident | 84.7 | Confident | 129 Ų | 129 | 48.7 Ų | 48.7 | 69% | 0.69 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 65.1 | 33.5 | 173.7 | -55.9 | -37.5 | 0 | 0 | 0 | 116.1 | ||
| 4178 | L | 85.6 | Confident | 84.9 | Confident | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 133.2 | 170.7 | -61.5 | 176.3 | 0 | 0 | 0 | 109.9 | P4119 F4120 M4122 V4158 I4175 S4176 | P4119-L4178 CarbonylContact C-O 3.53Å; P4119-L4178 VanDerWaalsContact CA-O 3.24Å; P4119-L4178 WeakPolarHBondContact CA-O 3.43Å; F4120-L4178 HydrophobicContact CD1-CB 4.09Å; F4120-L4178 WeakPolarHBondContact CD1-O 3.42Å; F4120-L4178 HydrophobicContact CD2-CB 4.17Å; F4120-L4178 HydrophobicContact CD2-CD1 4.46Å; F4120-L4178 HydrophobicContact CE1-CB 3.65Å; F4120-L4178 WeakPolarHBondContact CE1-O 3.41Å; F4120-L4178 HydrophobicContact CE2-CB 3.77Å; F4120-L4178 HydrophobicContact CE2-CD1 3.78Å; F4120-L4178 HydrophobicContact CE2-CG 4.44Å; F4120-L4178 HydrophobicContact CG-CB 4.33Å; F4120-L4178 HydrophobicContact CZ-CB 3.47Å; F4120-L4178 VanDerWaalsContact CZ-CB 3.47Å; F4120-L4178 HydrophobicContact CZ-CD1 4.08Å; F4120-L4178 HydrophobicContact CZ-CG 4.44Å; F4120-L4178 PolarHBondContact N-O 2.73Å; F4120-L4178 PolarHBondContact O-N 2.72Å; F4120-L4178 VanDerWaalsContact O-N 3.09Å; M4122-L4178 HydrophobicContact CB-CD1 3.8Å; M4122-L4178 HydrophobicContact CE-CD1 3.86Å; M4122-L4178 HydrophobicContact SD-CD1 4.44Å; V4158-L4178 HydrophobicContact CG1-CD2 3.83Å; I4175-L4178 HydrophobicContact CG2-CD1 4.24Å; I4175-L4178 HydrophobicContact CG2-CD2 4.17Å; I4175-L4178 HydrophobicContact CG2-CG 4.19Å; S4176-L4178 PolarHBondContact O-N 3.19Å |
| 4179 | I | 84.5 | Confident | 85.3 | Confident | 81.5 Ų | 81.5 | 47.9 Ų | 47.9 | 42% | 0.418 | 28% | 0.276 | S | S | . | . | trans | -140.7 | 140.3 | -178.4 | -167.9 | 170.5 | 0 | 0 | 0 | 111 | P4119 | P4119-I4179 HydrophobicContact CG-CD1 4.29Š| ||
| 4180 | F | 84.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -107.1 | 130.2 | 167.9 | -67.9 | -74.5 | 0 | 0 | 0 | 110.2 | V4114 E4116 G4117 F4120 V4155 S4156 V4158 E4182 A4186 F4207 V4209 | V4114-F4180 HydrophobicContact CG1-CD2 3.93Å; V4114-F4180 HydrophobicContact CG1-CE2 4.49Å; E4116-F4180 CarbonylContact C-O 3.47Å; E4116-F4180 WeakPolarHBondContact CA-O 3.37Å; G4117-F4180 PolarHBondContact N-O 3.21Å; F4120-F4180 AromaticContact CE1-CD2 3.65Å; F4120-F4180 HydrophobicContact CE1-CD2 3.65Å; F4120-F4180 AromaticContact CE1-CE2 3.52Å; F4120-F4180 HydrophobicContact CE1-CE2 3.52Å; F4120-F4180 HydrophobicContact CZ-CD2 4.14Å; F4120-F4180 AromaticContact CZ-CE2 3.5Å; F4120-F4180 HydrophobicContact CZ-CE2 3.5Å; F4120-F4180 VanDerWaalsContact CZ-CE2 3.49Å; F4120-F4180 HydrophobicContact CZ-CZ 4.32Å; V4155-F4180 HydrophobicContact CB-CD1 3.77Å; V4155-F4180 HydrophobicContact CB-CE1 4.31Å; V4155-F4180 HydrophobicContact CB-CG 4.43Å; V4155-F4180 HydrophobicContact CG2-CD1 3.38Å; V4155-F4180 HydrophobicContact CG2-CE1 3.4Å; V4155-F4180 VanDerWaalsContact CG2-CE1 3.43Å; V4155-F4180 HydrophobicContact CG2-CG 4.32Å; V4155-F4180 HydrophobicContact CG2-CZ 4.35Å; S4156-F4180 WeakPolarHBondContact O-CD1 3.42Å; S4156-F4180 WeakPolarHBondContact O-CE1 3.41Å; S4156-F4180 WeakPolarHBondContact OG-CA 3.34Å; V4158-F4180 HydrophobicContact CG2-CD1 4.34Å; V4158-F4180 HydrophobicContact CG2-CE1 3.78Å; V4158-F4180 HydrophobicContact CG2-CZ 3.98Å; F4180-E4182 VanDerWaalsContact C-N 3.33Å; F4180-A4186 HydrophobicContact CE1-CB 3.92Å; F4180-A4186 HydrophobicContact CE2-CB 3.91Å; F4180-A4186 HydrophobicContact CZ-CB 3.5Å; F4180-A4186 VanDerWaalsContact CZ-CB 3.49Å; F4180-F4207 HydrophobicContact CD2-CE2 4.36Å; F4180-F4207 AromaticContact CE2-CE2 3.65Å; F4180-F4207 HydrophobicContact CE2-CE2 3.65Å; F4180-F4207 AromaticContact CE2-CZ 3.57Å; F4180-F4207 HydrophobicContact CE2-CZ 3.57Å; F4180-F4207 HydrophobicContact CZ-CE2 4.42Å; F4180-F4207 HydrophobicContact CZ-CZ 4Å; F4180-V4209 HydrophobicContact CB-CG1 3.94Å; F4180-V4209 HydrophobicContact CB-CG2 4.03Å; F4180-V4209 HydrophobicContact CD2-CG2 3.57Å; F4180-V4209 HydrophobicContact CE2-CG2 4.16Å; F4180-V4209 HydrophobicContact CG-CG2 3.8Å | ||
| 4181 | S | 76.8 | Confident | 86.3 | Confident | 69.5 Ų | 69.5 | 41.3 Ų | 41.3 | 49% | 0.486 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -80.9 | -13.8 | 178.8 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | S4156 | S4156-S4181 VanDerWaalsContact CB-OG 3.32Å; S4156-S4181 WeakPolarHBondContact CB-OG 3.36Å; S4156-S4181 PolarHBondContact OG-N 3.24Å; S4156-S4181 VanDerWaalsContact OG-N 3.16Å; S4156-S4181 PolarHBondContact OG-OG 2.86Å |
| 4182 | E | 77.8 | Confident | 86.5 | Confident | 99.5 Ų | 99.5 | 41.4 Ų | 41.4 | 47% | 0.465 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -132.7 | 140.8 | -173.3 | -65.5 | 178.4 | -178.4 | 0 | 0 | 110.9 | F4180 V4209 | F4180-E4182 VanDerWaalsContact C-N 3.33Å; E4182-V4209 WeakPolarHBondContact O-CG1 3.35Å |
| 4183 | S | 81.8 | Confident | 86.4 | Confident | 41 Ų | 41 | 40 Ų | 40 | 29% | 0.287 | 23% | 0.227 | S | C | . | . | trans | -69.3 | 138 | 166 | 62.4 | 0 | 0 | 0 | 0 | 111 | E4116 V4209 S4211 | E4116-S4183 PolarHBondContact OE2-N 2.96Å; E4116-S4183 VanDerWaalsContact OE2-N 3.13Å; S4183-V4209 CarbonylContact C-O 3.24Å; S4183-V4209 WeakPolarHBondContact CA-O 3.31Å; S4183-V4209 VanDerWaalsContact CB-O 3.27Å; S4183-V4209 WeakPolarHBondContact CB-O 3.47Å; S4183-S4211 VanDerWaalsContact CB-OG 3.32Å; S4183-S4211 WeakPolarHBondContact CB-OG 3.47Å; S4183-S4211 PolarHBondContact OG-OG 2.6Å; S4183-S4211 VanDerWaalsContact OG-OG 3.1Å | ||
| 4184 | G | 85.1 | Confident | 86.2 | Confident | 27.5 Ų | 27.5 | 40.3 Ų | 40.3 | 28% | 0.284 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.2 | -157.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V4209 | G4184-V4209 PolarHBondContact N-O 3.28Å; G4184-V4209 PolarHBondContact O-N 2.95Å |
| 4185 | Q | 86.8 | Confident | 85.8 | Confident | 83 Ų | 83 | 36.5 Ų | 36.5 | 39% | 0.388 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 124.2 | 175.6 | -159.3 | 74.6 | 23.5 | 0 | 0 | 109.3 | T4154 T4206 F4207 | T4154-Q4185 WeakPolarHBondContact CB-O 3.28Å; T4154-Q4185 PolarHBondContact OG1-O 3.31Å; Q4185-T4206 HydrophobicContact CG-CG2 3.86Å; Q4185-F4207 VanDerWaalsContact NE2-C 3.26Å; Q4185-F4207 PolarHBondContact NE2-O 3.11Å |
| 4186 | A | 87.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 128.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V4155 F4180 T4206 F4207 V4209 | V4155-A4186 HydrophobicContact CG2-CB 3.8Å; F4180-A4186 HydrophobicContact CE1-CB 3.92Å; F4180-A4186 HydrophobicContact CE2-CB 3.91Å; F4180-A4186 HydrophobicContact CZ-CB 3.5Å; F4180-A4186 VanDerWaalsContact CZ-CB 3.49Å; A4186-T4206 VanDerWaalsContact O-CA 3.27Å; A4186-T4206 WeakPolarHBondContact O-CA 3.07Å; A4186-F4207 HydrophobicContact CB-CD1 4.42Å; A4186-F4207 HydrophobicContact CB-CD2 4.31Å; A4186-F4207 HydrophobicContact CB-CE1 4.05Å; A4186-F4207 HydrophobicContact CB-CE2 3.91Å; A4186-F4207 HydrophobicContact CB-CZ 3.8Å; A4186-F4207 PolarHBondContact N-O 3.43Å; A4186-F4207 PolarHBondContact O-N 3.49Å; A4186-V4209 HydrophobicContact CB-CG2 4.14Å |
| 4187 | D | 87.3 | Confident | 84.8 | Confident | 34 Ų | 34 | 41.6 Ų | 41.6 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 108.3 | 176.5 | -66.5 | -31.3 | 0 | 0 | 0 | 110 | Q4150 P4151 N4152 T4206 | Q4150-D4187 WeakPolarHBondContact CA-O 3.23Å; Q4150-D4187 WeakPolarHBondContact CG-O 3.35Å; P4151-D4187 WeakPolarHBondContact CD-O 3.25Å; N4152-D4187 HydrophobicContact CB-CB 4.47Å; N4152-D4187 PolarHBondContact ND2-OD2 2.85Å; D4187-T4206 WeakPolarHBondContact OD1-CB 3.36Å; D4187-T4206 WeakPolarHBondContact OD1-CG2 3.41Å; D4187-T4206 PolarHBondContact OD1-OG1 2.88Å |
| 4188 | L | 88.8 | Confident | 84.7 | Confident | 2.5 Ų | 2.5 | 37.3 Ų | 37.3 | 1% | 0.013 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 136.3 | -179.5 | -58.8 | -178.4 | 0 | 0 | 0 | 111.4 | M4122 I4148 Q4150 V4158 S4204 L4205 F4207 | M4122-L4188 HydrophobicContact CE-CD1 3.38Å; M4122-L4188 VanDerWaalsContact CE-CD1 3.4Å; I4148-L4188 HydrophobicContact CG2-CB 4.48Å; I4148-L4188 HydrophobicContact CG2-CD2 4.4Å; Q4150-L4188 HydrophobicContact CB-CD2 3.83Å; Q4150-L4188 HydrophobicContact CG-CD2 4.11Å; V4158-L4188 HydrophobicContact CB-CD2 4.13Å; L4188-S4204 CarbonylContact O-C 3.54Å; L4188-S4204 WeakPolarHBondContact O-CA 3.44Å; L4188-L4205 PolarHBondContact N-O 2.85Å; L4188-L4205 PolarHBondContact O-N 2.8Å; L4188-F4207 HydrophobicContact CD1-CE1 3.92Å; L4188-F4207 HydrophobicContact CD1-CZ 4.12Å; L4188-F4207 HydrophobicContact CG-CE1 4.24Å |
| 4189 | L | 90.4 | Very high | 84.4 | Confident | 45 Ų | 45 | 39.8 Ų | 39.8 | 24% | 0.236 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 116.7 | 170.2 | -179.9 | 66.9 | 0 | 0 | 0 | 108.9 | I4148 L4149 P4151 N4202 | I4148-L4189 CarbonylContact C-O 3.55Å; I4148-L4189 WeakPolarHBondContact CA-O 3.29Å; L4149-L4189 PolarHBondContact N-O 3.36Å; L4149-L4189 PolarHBondContact O-N 3.13Å; P4151-L4189 HydrophobicContact CG-CB 4.31Å; L4189-N4202 HydrophobicContact CD1-CB 4.17Å |
| 4190 | V | 91.4 | Very high | 84.5 | Confident | 0.5 Ų | 0.5 | 41.8 Ų | 41.8 | 0% | 0.003 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.9 | 176.5 | -179 | 0 | 0 | 0 | 0 | 109.4 | V4103 M4122 I4124 E4147 I4148 N4202 T4203 | V4103-V4190 HydrophobicContact CG1-CG2 4.33Å; V4103-V4190 HydrophobicContact CG2-CB 3.72Å; V4103-V4190 HydrophobicContact CG2-CG1 3.92Å; V4103-V4190 HydrophobicContact CG2-CG2 3.65Å; M4122-V4190 HydrophobicContact SD-CG2 4.29Å; I4124-V4190 HydrophobicContact CD1-CG1 3.71Å; I4124-V4190 HydrophobicContact CG1-CG1 4.15Å; I4124-V4190 HydrophobicContact CG2-CG1 4.11Å; E4147-V4190 WeakPolarHBondContact O-CA 3.45Å; I4148-V4190 HydrophobicContact CD1-CG2 4.23Å; I4148-V4190 HydrophobicContact CG1-CG1 4.4Å; I4148-V4190 HydrophobicContact CG1-CG2 4.06Å; I4148-V4190 HydrophobicContact CG2-CG2 4.24Å; V4190-N4202 CarbonylContact O-C 3.56Å; V4190-N4202 WeakPolarHBondContact O-CA 3.48Å; V4190-T4203 PolarHBondContact N-O 3.04Å; V4190-T4203 PolarHBondContact O-N 3.1Å |
| 4191 | S | 90.7 | Very high | 84.9 | Confident | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.028 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 127.2 | 179.6 | -53.9 | 0 | 0 | 0 | 0 | 110.3 | Y4146 E4147 L4201 N4202 | Y4146-S4191 CarbonylContact C-O 3.54Å; Y4146-S4191 WeakPolarHBondContact CA-O 3.33Å; E4147-S4191 PolarHBondContact N-O 2.98Å; E4147-S4191 PolarHBondContact O-N 2.93Å; E4147-S4191 PolarHBondContact OE1-OG 3.01Å; S4191-L4201 WeakPolarHBondContact CA-O 3.29Å; S4191-N4202 VanDerWaalsContact CB-OD1 3.29Å; S4191-N4202 WeakPolarHBondContact CB-OD1 3.36Å; S4191-N4202 PolarHBondContact OG-OD1 3.31Å; S4191-N4202 VanDerWaalsContact OG-OD1 3.1Å |
| 4192 | V | 91 | Very high | 85.6 | Confident | 0.5 Ų | 0.5 | 44.1 Ų | 44.1 | 0% | 0.003 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.3 | 166.6 | 179.8 | 0 | 0 | 0 | 0 | 108.5 | I4124 T4126 W4144 S4145 F4165 R4200 L4201 | I4124-V4192 HydrophobicContact CG2-CG2 3.64Å; T4126-V4192 HydrophobicContact CG2-CB 4.11Å; T4126-V4192 HydrophobicContact CG2-CG1 4.03Å; T4126-V4192 HydrophobicContact CG2-CG2 4.12Å; W4144-V4192 HydrophobicContact CE3-CG1 3.75Å; W4144-V4192 HydrophobicContact CZ3-CG1 4.28Å; S4145-V4192 CarbonylContact O-C 3.51Å; S4145-V4192 WeakPolarHBondContact O-CA 3.45Å; F4165-V4192 HydrophobicContact CE2-CG1 4.07Å; F4165-V4192 HydrophobicContact CE2-CG2 4.4Å; F4165-V4192 HydrophobicContact CZ-CG1 4.12Å; F4165-V4192 HydrophobicContact CZ-CG2 4.3Å; V4192-R4200 CarbonylContact O-C 3.54Å; V4192-R4200 WeakPolarHBondContact O-CA 3.25Å; V4192-L4201 HydrophobicContact CB-CB 4.4Å; V4192-L4201 PolarHBondContact N-O 2.81Å; V4192-L4201 PolarHBondContact O-N 2.03Å |
| 4193 | I | 88.7 | Confident | 86.4 | Confident | 7.5 Ų | 7.5 | 40.9 Ų | 40.9 | 4% | 0.038 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 62.2 | -161 | 1.3 | 163.4 | 0 | 0 | 0 | 112.7 | S4145 E4147 K4162 E4197 R4200 | S4145-I4193 PolarHBondContact N-O 2.9Å; S4145-I4193 PolarHBondContact O-N 3.26Å; E4147-I4193 HydrophobicContact CB-CD1 4.21Å; E4147-I4193 HydrophobicContact CG-CD1 4.05Å; E4147-I4193 HydrophobicContact CG-CG2 3.84Å; E4147-I4193 WeakPolarHBondContact OE1-CG2 3.3Å; K4162-I4193 HydrophobicContact CB-CD1 3.78Å; K4162-I4193 HydrophobicContact CD-CD1 4.15Å; K4162-I4193 HydrophobicContact CD-CG1 4.48Å; K4162-I4193 HydrophobicContact CG-CD1 3.98Å; K4162-I4193 HydrophobicContact CG-CG1 4.35Å; I4193-E4197 HydrophobicContact CG2-CG 4.25Å; I4193-E4197 WeakPolarHBondContact CG2-OE1 3.43Å; I4193-E4197 WeakPolarHBondContact CG2-OE2 3.35Å; I4193-R4200 VanDerWaalsContact CD1-NH2 3.34Å; I4193-R4200 HydrophobicContact CG1-CG 4.24Å; I4193-R4200 HydrophobicContact CG2-CG 4.37Å |
| 4194 | S | 85.8 | Confident | 86.7 | Confident | 8.5 Ų | 8.5 | 43.6 Ų | 43.6 | 6% | 0.059 | 24% | 0.241 | C | C | . | . | trans | -104 | 147.7 | 179.5 | 132.4 | 0 | 0 | 0 | 0 | 110.6 | W4144 S4145 K4162 N4196 E4197 S4198 T4199 | W4144-S4194 VanDerWaalsContact CA-O 3.3Å; W4144-S4194 WeakPolarHBondContact CA-O 3.42Å; W4144-S4194 VanDerWaalsContact CE3-CA 3.44Å; S4145-S4194 PolarHBondContact N-O 3.22Å; S4145-S4194 VanDerWaalsContact N-O 3.17Å; S4145-S4194 PolarHBondContact O-N 2.79Å; S4145-S4194 WeakPolarHBondContact OG-CB 3.16Å; K4162-S4194 PolarHBondContact NZ-OG 2.81Å; S4194-N4196 WeakPolarHBondContact CB-OD1 3.35Å; S4194-N4196 PolarHBondContact O-N 3.18Å; S4194-N4196 VanDerWaalsContact O-N 3.17Å; S4194-N4196 PolarHBondContact OG-OD1 3.1Å; S4194-E4197 PolarHBondContact O-N 3.32Å; S4194-E4197 PolarHBondContact OG-N 2.79Å; S4194-S4198 PolarHBondContact OG-N 3.19Å; S4194-S4198 VanDerWaalsContact OG-N 3.12Å; S4194-T4199 PolarHBondContact N-O 3.07Å; S4194-T4199 PolarHBondContact OG-N 2.88Å; S4194-T4199 PolarHBondContact OG-O 2.91Å | ||
| 4195 | P | 82.5 | Confident | 86.9 | Confident | 27 Ų | 27 | 44.1 Ų | 44.1 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | -62 | -120.7 | 95.2 | 2.4 | -2.1 | 0 | 0 | 0 | 114 | T4046 T4050 S4142 W4144 E4197 S4198 | T4046-P4195 HydrophobicContact CG2-CB 4.41Å; T4046-P4195 HydrophobicContact CG2-CG 4.25Å; T4050-P4195 HydrophobicContact CG2-CB 4.48Å; T4050-P4195 HydrophobicContact CG2-CG 3.58Å; S4142-P4195 VanDerWaalsContact C-CG 3.44Å; S4142-P4195 WeakPolarHBondContact O-CG 3.42Å; W4144-P4195 VanDerWaalsContact CD2-CD 3.48Å; W4144-P4195 VanDerWaalsContact CE2-CD 3.48Å; W4144-P4195 HydrophobicContact CZ2-CG 4.17Å; P4195-E4197 WeakPolarHBondContact CB-OE2 3.46Å; P4195-E4197 PolarHBondContact O-N 3.15Å; P4195-S4198 WeakPolarHBondContact O-CB 3.28Å; P4195-S4198 PolarHBondContact O-N 2.8Å; P4195-S4198 PolarHBondContact O-OG 2.87Å | |
| 4196 | N | 77.1 | Confident | 87 | Confident | 99 Ų | 99 | 44.2 Ų | 44.2 | 53% | 0.529 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -9.5 | -176.2 | -4.3 | -14.2 | 0 | 0 | 0 | 113.3 | S4194 S4198 | S4194-N4196 WeakPolarHBondContact CB-OD1 3.35Å; S4194-N4196 PolarHBondContact O-N 3.18Å; S4194-N4196 VanDerWaalsContact O-N 3.17Å; S4194-N4196 PolarHBondContact OG-OD1 3.1Å; N4196-S4198 VanDerWaalsContact C-N 3.27Å; N4196-S4198 VanDerWaalsContact CG-OG 3.3Å; N4196-S4198 PolarHBondContact ND2-OG 3.37Å; N4196-S4198 PolarHBondContact O-N 3.25Å; N4196-S4198 PolarHBondContact OD1-N 2.84Å; N4196-S4198 PolarHBondContact OD1-OG 2.68Å |
| 4197 | E | 77.4 | Confident | 87 | Confident | 97.5 Ų | 97.5 | 45.1 Ų | 45.1 | 46% | 0.456 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -11.9 | 2 | -178.7 | -56.2 | -4 | -176.4 | 0 | 0 | 114.1 | T4050 L4052 K4162 I4193 S4194 P4195 T4199 R4200 | T4050-E4197 HydrophobicContact CG2-CB 4.47Å; L4052-E4197 HydrophobicContact CD1-CB 3.71Å; L4052-E4197 HydrophobicContact CD1-CG 4.24Å; L4052-E4197 HydrophobicContact CG-CB 4.5Å; K4162-E4197 VanDerWaalsContact CE-OE1 3.22Å; K4162-E4197 WeakPolarHBondContact CE-OE1 3.35Å; K4162-E4197 IonicContact NZ-OE1 2.73Å; K4162-E4197 PolarHBondContact NZ-OE1 3.26Å; I4193-E4197 HydrophobicContact CG2-CG 4.25Å; I4193-E4197 WeakPolarHBondContact CG2-OE1 3.43Å; I4193-E4197 WeakPolarHBondContact CG2-OE2 3.35Å; S4194-E4197 PolarHBondContact O-N 3.32Å; S4194-E4197 PolarHBondContact OG-N 2.79Å; P4195-E4197 WeakPolarHBondContact CB-OE2 3.46Å; P4195-E4197 PolarHBondContact O-N 3.15Å; E4197-T4199 VanDerWaalsContact C-N 3.27Å; E4197-T4199 PolarHBondContact O-N 3.2Å; E4197-R4200 IonicContact OE2-NH2 3.25Å; E4197-R4200 PolarHBondContact OE2-NH2 2.82Å |
| 4198 | S | 77.2 | Confident | 87 | Confident | 37.5 Ų | 37.5 | 46.7 Ų | 46.7 | 26% | 0.262 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -75.5 | 64.2 | 177.8 | 68.2 | 0 | 0 | 0 | 0 | 112.8 | T4050 S4194 P4195 N4196 R4200 | T4050-S4198 WeakPolarHBondContact CB-OG 3.44Å; T4050-S4198 WeakPolarHBondContact CG2-OG 3.34Å; S4194-S4198 PolarHBondContact OG-N 3.19Å; S4194-S4198 VanDerWaalsContact OG-N 3.12Å; P4195-S4198 WeakPolarHBondContact O-CB 3.28Å; P4195-S4198 PolarHBondContact O-N 2.8Å; P4195-S4198 PolarHBondContact O-OG 2.87Å; N4196-S4198 VanDerWaalsContact C-N 3.27Å; N4196-S4198 VanDerWaalsContact CG-OG 3.3Å; N4196-S4198 PolarHBondContact ND2-OG 3.37Å; N4196-S4198 PolarHBondContact O-N 3.25Å; N4196-S4198 PolarHBondContact OD1-N 2.84Å; N4196-S4198 PolarHBondContact OD1-OG 2.68Å; S4198-R4200 PolarHBondContact O-N 2.9Å |
| 4199 | T | 79.6 | Confident | 86.9 | Confident | 71 Ų | 71 | 46.8 Ų | 46.8 | 44% | 0.436 | 26% | 0.26 | S | S | . | . | trans | -98.8 | 127.9 | 176.4 | -37.9 | 0 | 0 | 0 | 0 | 109.6 | T4050 W4144 S4194 E4197 L4201 | T4050-T4199 WeakPolarHBondContact CB-OG1 3.22Å; T4050-T4199 PolarHBondContact O-OG1 2.87Å; W4144-T4199 HydrophobicContact CH2-CG2 4.29Å; S4194-T4199 PolarHBondContact N-O 3.07Å; S4194-T4199 PolarHBondContact OG-N 2.88Å; S4194-T4199 PolarHBondContact OG-O 2.91Å; E4197-T4199 VanDerWaalsContact C-N 3.27Å; E4197-T4199 PolarHBondContact O-N 3.2Å; T4199-L4201 HydrophobicContact CG2-CD2 4.27Å; T4199-L4201 HydrophobicContact CG2-CG 4.44Å | ||
| 4200 | R | 85.8 | Confident | 86.7 | Confident | 123.5 Ų | 123.5 | 49.4 Ų | 49.4 | 47% | 0.466 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.3 | 177.7 | -127.5 | -179.4 | -132.5 | -118.4 | -2.3 | 110.7 | E4147 V4192 I4193 E4197 S4198 N4202 | E4147-R4200 IonicContact OE1-CZ 2.89Å; E4147-R4200 IonicContact OE1-NH1 3.17Å; E4147-R4200 PolarHBondContact OE1-NH1 2.99Å; E4147-R4200 IonicContact OE1-NH2 3.32Å; E4147-R4200 IonicContact OE2-NH1 2.67Å; V4192-R4200 CarbonylContact O-C 3.54Å; V4192-R4200 WeakPolarHBondContact O-CA 3.25Å; I4193-R4200 VanDerWaalsContact CD1-NH2 3.34Å; I4193-R4200 HydrophobicContact CG1-CG 4.24Å; I4193-R4200 HydrophobicContact CG2-CG 4.37Å; E4197-R4200 IonicContact OE2-NH2 3.25Å; E4197-R4200 PolarHBondContact OE2-NH2 2.82Å; S4198-R4200 PolarHBondContact O-N 2.9Å; R4200-N4202 WeakPolarHBondContact CG-OD1 3.48Å |
| 4201 | L | 93.2 | Very high | 86.1 | Confident | 23 Ų | 23 | 51.9 Ų | 51.9 | 12% | 0.12 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 105 | -176.9 | -58.5 | 178.7 | 0 | 0 | 0 | 110.1 | P4098 V4099 S4101 T4126 S4191 V4192 T4199 | P4098-L4201 HydrophobicContact CB-CD1 3.8Å; V4099-L4201 WeakPolarHBondContact O-CD2 3.34Å; S4101-L4201 PolarHBondContact OG-O 3.32Å; T4126-L4201 HydrophobicContact CG2-CD1 3.98Å; S4191-L4201 WeakPolarHBondContact CA-O 3.29Å; V4192-L4201 HydrophobicContact CB-CB 4.4Å; V4192-L4201 PolarHBondContact N-O 2.81Å; V4192-L4201 PolarHBondContact O-N 2.03Å; T4199-L4201 HydrophobicContact CG2-CD2 4.27Å; T4199-L4201 HydrophobicContact CG2-CG 4.44Å |
| 4202 | N | 92.6 | Very high | 85.7 | Confident | 94 Ų | 94 | 52.9 Ų | 52.9 | 50% | 0.503 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 133.3 | -177.1 | -63.6 | -19.3 | 0 | 0 | 0 | 111.3 | L4189 V4190 S4191 R4200 | L4189-N4202 HydrophobicContact CD1-CB 4.17Å; V4190-N4202 CarbonylContact O-C 3.56Å; V4190-N4202 WeakPolarHBondContact O-CA 3.48Å; S4191-N4202 VanDerWaalsContact CB-OD1 3.29Å; S4191-N4202 WeakPolarHBondContact CB-OD1 3.36Å; S4191-N4202 PolarHBondContact OG-OD1 3.31Å; S4191-N4202 VanDerWaalsContact OG-OD1 3.1Å; R4200-N4202 WeakPolarHBondContact CG-OD1 3.48Å |
| 4203 | T | 92.9 | Very high | 85.3 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 20% | 0.202 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 125.3 | 171.8 | -70.3 | 0 | 0 | 0 | 0 | 109.4 | S4101 V4103 V4190 | S4101-T4203 PolarHBondContact O-OG1 3.35Å; S4101-T4203 WeakPolarHBondContact OG-CB 3.49Å; S4101-T4203 PolarHBondContact OG-N 2.93Å; S4101-T4203 PolarHBondContact OG-OG1 3.49Å; V4103-T4203 HydrophobicContact CG2-CG2 4.02Å; V4190-T4203 PolarHBondContact N-O 3.04Å; V4190-T4203 PolarHBondContact O-N 3.1Å |
| 4204 | S | 89.7 | Confident | 85.1 | Confident | 97 Ų | 97 | 57.8 Ų | 57.8 | 68% | 0.678 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 133.2 | 170.1 | -59.5 | 0 | 0 | 0 | 0 | 110.1 | L4188 | L4188-S4204 CarbonylContact O-C 3.54Å; L4188-S4204 WeakPolarHBondContact O-CA 3.44Å |
| 4205 | L | 88.8 | Confident | 85.1 | Confident | 39 Ų | 39 | 58.6 Ų | 58.6 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 118.1 | -178.6 | 179.1 | 65 | 0 | 0 | 0 | 110 | V4103 I4105 L4188 F4207 | V4103-L4205 HydrophobicContact CB-CD2 4.26Å; V4103-L4205 HydrophobicContact CG1-CD2 3.77Å; I4105-L4205 HydrophobicContact CD1-CD2 3.77Å; I4105-L4205 HydrophobicContact CD1-CG 4.44Å; I4105-L4205 HydrophobicContact CG1-CD2 3.79Å; L4188-L4205 PolarHBondContact N-O 2.85Å; L4188-L4205 PolarHBondContact O-N 2.8Å; L4205-F4207 HydrophobicContact CD2-CD1 4.22Å; L4205-F4207 HydrophobicContact CD2-CE1 4.13Å; L4205-F4207 HydrophobicContact CG-CD1 3.91Å; L4205-F4207 HydrophobicContact CG-CE1 4.19Å |
| 4206 | T | 88.2 | Confident | 85.3 | Confident | 85 Ų | 85 | 57.8 Ų | 57.8 | 52% | 0.521 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.9 | 179.1 | -65.1 | 0 | 0 | 0 | 0 | 110.1 | Q4185 A4186 D4187 | Q4185-T4206 HydrophobicContact CG-CG2 3.86Å; A4186-T4206 VanDerWaalsContact O-CA 3.27Å; A4186-T4206 WeakPolarHBondContact O-CA 3.07Å; D4187-T4206 WeakPolarHBondContact OD1-CB 3.36Å; D4187-T4206 WeakPolarHBondContact OD1-CG2 3.41Å; D4187-T4206 PolarHBondContact OD1-OG1 2.88Å |
| 4207 | F | 88.5 | Confident | 85.8 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 8% | 0.083 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 150.2 | 179.6 | 58.4 | -81.3 | 0 | 0 | 0 | 112.8 | I4105 V4114 F4120 F4180 Q4185 A4186 L4188 L4205 V4209 | I4105-F4207 HydrophobicContact CD1-CB 4.29Å; I4105-F4207 HydrophobicContact CD1-CD1 3.34Å; I4105-F4207 HydrophobicContact CD1-CD2 3.77Å; I4105-F4207 HydrophobicContact CD1-CE1 3.38Å; I4105-F4207 HydrophobicContact CD1-CE2 3.81Å; I4105-F4207 HydrophobicContact CD1-CG 3.52Å; I4105-F4207 HydrophobicContact CD1-CZ 3.6Å; V4114-F4207 HydrophobicContact CB-CD2 4.13Å; V4114-F4207 HydrophobicContact CB-CE2 3.96Å; V4114-F4207 HydrophobicContact CG1-CE2 4.22Å; V4114-F4207 HydrophobicContact CG2-CD2 3.87Å; V4114-F4207 HydrophobicContact CG2-CE2 3.63Å; F4120-F4207 HydrophobicContact CZ-CZ 4.27Å; F4180-F4207 HydrophobicContact CD2-CE2 4.36Å; F4180-F4207 AromaticContact CE2-CE2 3.65Å; F4180-F4207 HydrophobicContact CE2-CE2 3.65Å; F4180-F4207 AromaticContact CE2-CZ 3.57Å; F4180-F4207 HydrophobicContact CE2-CZ 3.57Å; F4180-F4207 HydrophobicContact CZ-CE2 4.42Å; F4180-F4207 HydrophobicContact CZ-CZ 4Å; Q4185-F4207 VanDerWaalsContact NE2-C 3.26Å; Q4185-F4207 PolarHBondContact NE2-O 3.11Å; A4186-F4207 HydrophobicContact CB-CD1 4.42Å; A4186-F4207 HydrophobicContact CB-CD2 4.31Å; A4186-F4207 HydrophobicContact CB-CE1 4.05Å; A4186-F4207 HydrophobicContact CB-CE2 3.91Å; A4186-F4207 HydrophobicContact CB-CZ 3.8Å; A4186-F4207 PolarHBondContact N-O 3.43Å; A4186-F4207 PolarHBondContact O-N 3.49Å; L4188-F4207 HydrophobicContact CD1-CE1 3.92Å; L4188-F4207 HydrophobicContact CD1-CZ 4.12Å; L4188-F4207 HydrophobicContact CG-CE1 4.24Å; L4205-F4207 HydrophobicContact CD2-CD1 4.22Å; L4205-F4207 HydrophobicContact CD2-CE1 4.13Å; L4205-F4207 HydrophobicContact CG-CD1 3.91Å; L4205-F4207 HydrophobicContact CG-CE1 4.19Å; F4207-V4209 HydrophobicContact CE2-CG2 4.39Å |
| 4208 | P | 87.7 | Confident | 86.3 | Confident | 67 Ų | 67 | 51.9 Ų | 51.9 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 136.2 | 177.7 | 31.6 | -33.7 | 0 | 0 | 0 | 111.3 | ||
| 4209 | V | 86.7 | Confident | 86.8 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.03 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 111 | 165.3 | -176.3 | 0 | 0 | 0 | 0 | 107.4 | V4114 E4116 V4155 F4180 E4182 S4183 G4184 A4186 F4207 | V4114-V4209 HydrophobicContact CG1-CG1 4.38Å; V4114-V4209 HydrophobicContact CG1-CG2 4.27Å; V4114-V4209 WeakPolarHBondContact O-CA 3.38Å; E4116-V4209 HydrophobicContact CB-CG1 4.12Å; V4155-V4209 HydrophobicContact CG1-CG2 4.36Å; F4180-V4209 HydrophobicContact CB-CG1 3.94Å; F4180-V4209 HydrophobicContact CB-CG2 4.03Å; F4180-V4209 HydrophobicContact CD2-CG2 3.57Å; F4180-V4209 HydrophobicContact CE2-CG2 4.16Å; F4180-V4209 HydrophobicContact CG-CG2 3.8Å; E4182-V4209 WeakPolarHBondContact O-CG1 3.35Å; S4183-V4209 CarbonylContact C-O 3.24Å; S4183-V4209 WeakPolarHBondContact CA-O 3.31Å; S4183-V4209 VanDerWaalsContact CB-O 3.27Å; S4183-V4209 WeakPolarHBondContact CB-O 3.47Å; G4184-V4209 PolarHBondContact N-O 3.28Å; G4184-V4209 PolarHBondContact O-N 2.95Å; A4186-V4209 HydrophobicContact CB-CG2 4.14Å; F4207-V4209 HydrophobicContact CE2-CG2 4.39Å |
| 4210 | K | 84.5 | Confident | 87.2 | Confident | 98 Ų | 98 | 52.4 Ų | 52.4 | 43% | 0.426 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -79.6 | 152.7 | -178.5 | -66.7 | -171.3 | -173.8 | 165.5 | 0 | 112 | S4113 V4114 V4115 E4116 | S4113-K4210 VanDerWaalsContact OG-CD 3.26Å; S4113-K4210 WeakPolarHBondContact OG-CD 3.32Å; S4113-K4210 VanDerWaalsContact OG-CE 3.31Å; S4113-K4210 WeakPolarHBondContact OG-CE 3.33Å; V4114-K4210 PolarHBondContact O-N 2.89Å; V4115-K4210 WeakPolarHBondContact CA-O 3.41Å; V4115-K4210 HydrophobicContact CG2-CB 4.43Å; E4116-K4210 PolarHBondContact N-O 2.89Å |
| 4211 | S | 80.1 | Confident | 87.2 | Confident | 53 Ų | 53 | 49.7 Ų | 49.7 | 37% | 0.371 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 148.9 | 170.3 | -44 | 0 | 0 | 0 | 0 | 111.3 | E4116 S4183 | E4116-S4211 WeakPolarHBondContact OE1-CA 3.46Å; S4183-S4211 VanDerWaalsContact CB-OG 3.32Å; S4183-S4211 WeakPolarHBondContact CB-OG 3.47Å; S4183-S4211 PolarHBondContact OG-OG 2.6Å; S4183-S4211 VanDerWaalsContact OG-OG 3.1Å |
| 4212 | K | 81.1 | Confident | 86.8 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 134.7 | -177.4 | -170.9 | 144.5 | 168.1 | -168.2 | 0 | 112 | V4115 E4116 L4214 D4246 W4258 | V4115-K4212 HydrophobicContact CG1-CB 4.05Å; V4115-K4212 HydrophobicContact CG1-CD 4.5Å; V4115-K4212 HydrophobicContact CG1-CG 4.44Å; E4116-K4212 HydrophobicContact CG-CB 4.3Å; E4116-K4212 PolarHBondContact OE1-N 3.48Å; K4212-L4214 HydrophobicContact CG-CD2 4.38Å; K4212-D4246 WeakPolarHBondContact CE-OD2 3.38Å; K4212-D4246 WeakPolarHBondContact CG-OD2 3.16Å; K4212-W4258 HydrophobicContact CB-CH2 3.98Å; K4212-W4258 HydrophobicContact CB-CZ2 3.97Å; K4212-W4258 HydrophobicContact CD-CH2 3.17Å; K4212-W4258 HydrophobicContact CD-CZ2 4.02Å; K4212-W4258 HydrophobicContact CD-CZ3 3.7Å; K4212-W4258 HydrophobicContact CG-CH2 3.58Å; K4212-W4258 HydrophobicContact CG-CZ2 4.03Å; K4212-W4258 VanDerWaalsContact NZ-CZ3 3.34Å |
| 4213 | Q | 82.3 | Confident | 86.2 | Confident | 100 Ų | 100 | 54.4 Ų | 54.4 | 47% | 0.467 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -100.3 | 132.6 | 179.2 | -68.9 | -164.5 | -25.2 | 0 | 0 | 111.7 | K4247 | Q4213-K4247 HydrophobicContact CB-CB 4.04Å; Q4213-K4247 HydrophobicContact CB-CD 4.44Å; Q4213-K4247 PolarHBondContact O-N 3.4Å |
| 4214 | L | 85.7 | Confident | 85.4 | Confident | 11 Ų | 11 | 55.7 Ų | 55.7 | 6% | 0.058 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 151.9 | -173.5 | -56.7 | 176.5 | 0 | 0 | 0 | 111.9 | K4212 I4244 I4245 V4253 W4258 W4263 Y4331 L4333 | K4212-L4214 HydrophobicContact CG-CD2 4.38Å; L4214-I4244 HydrophobicContact CB-CG2 4.11Å; L4214-I4244 HydrophobicContact CD1-CG2 4.36Å; L4214-I4244 HydrophobicContact CD2-CG2 4.33Å; L4214-I4245 CarbonylContact C-O 3.48Å; L4214-I4245 WeakPolarHBondContact CA-O 3.5Å; L4214-V4253 HydrophobicContact CD2-CG2 3.63Å; L4214-W4258 HydrophobicContact CD2-CH2 4.2Å; L4214-W4258 HydrophobicContact CD2-CZ2 4.35Å; L4214-W4263 HydrophobicContact CD1-CH2 3.6Å; L4214-W4263 HydrophobicContact CD1-CZ2 3.92Å; L4214-Y4331 HydrophobicContact CD1-CD1 4.29Å; L4214-L4333 HydrophobicContact CB-CD2 3.51Å |
| 4215 | S | 85.4 | Confident | 84.8 | Confident | 26 Ų | 26 | 57.6 Ų | 57.6 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 169.4 | 173.2 | -167.8 | 0 | 0 | 0 | 0 | 109.9 | I4245 | S4215-I4245 PolarHBondContact N-O 3.15Å; S4215-I4245 WeakPolarHBondContact O-CG1 3.21Å; S4215-I4245 PolarHBondContact O-N 2.87Å |
| 4216 | L | 87.8 | Confident | 84.3 | Confident | 9 Ų | 9 | 58.7 Ų | 58.7 | 5% | 0.047 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.1 | -179.6 | -170.2 | 58.8 | 0 | 0 | 0 | 110.8 | I4218 M4242 I4244 F4265 I4315 L4333 | L4216-I4218 HydrophobicContact CD2-CD1 4.19Å; L4216-I4218 HydrophobicContact CD2-CG1 4.31Å; L4216-I4218 HydrophobicContact CG-CD1 4.47Å; L4216-I4218 HydrophobicContact CG-CG1 4.06Å; L4216-M4242 HydrophobicContact CD1-CB 4.5Å; L4216-M4242 HydrophobicContact CD1-CE 3.96Å; L4216-M4242 HydrophobicContact CD2-CE 3.39Å; L4216-M4242 HydrophobicContact CG-CE 4.01Å; L4216-I4244 HydrophobicContact CD1-CG1 4.44Å; L4216-F4265 HydrophobicContact CD1-CE1 3.88Å; L4216-F4265 HydrophobicContact CD2-CD1 4.35Å; L4216-F4265 HydrophobicContact CD2-CE1 4.04Å; L4216-I4315 HydrophobicContact CD2-CG2 4.07Å; L4216-L4333 HydrophobicContact CB-CD1 3.9Å; L4216-L4333 HydrophobicContact CD1-CD1 3.96Å; L4216-L4333 HydrophobicContact CG-CD1 4.35Å |
| 4217 | L | 87.3 | Confident | 83.8 | Confident | 58 Ų | 58 | 57.8 Ų | 57.8 | 30% | 0.304 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 127.7 | 169.4 | -178.8 | 66.4 | 0 | 0 | 0 | 108.7 | N4243 I4245 | L4217-N4243 HydrophobicContact CB-CB 4.47Å; L4217-N4243 PolarHBondContact N-O 3.2Å; L4217-N4243 PolarHBondContact O-N 2.78Å; L4217-I4245 HydrophobicContact CB-CD1 4.12Å; L4217-I4245 HydrophobicContact CB-CG1 4.34Å; L4217-I4245 HydrophobicContact CB-CG2 3.89Å; L4217-I4245 HydrophobicContact CD2-CG2 4.3Å |
| 4218 | I | 87.9 | Confident | 83.4 | Confident | 14 Ų | 14 | 58.9 Ų | 58.9 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 136.2 | -179.2 | -53.5 | -175.2 | 0 | 0 | 0 | 109.1 | L4216 I4240 E4241 M4242 I4315 T4336 I4338 | L4216-I4218 HydrophobicContact CD2-CD1 4.19Å; L4216-I4218 HydrophobicContact CD2-CG1 4.31Å; L4216-I4218 HydrophobicContact CG-CD1 4.47Å; L4216-I4218 HydrophobicContact CG-CG1 4.06Å; I4218-I4240 HydrophobicContact CG2-CB 3.81Å; I4218-I4240 HydrophobicContact CG2-CD1 4.11Å; I4218-I4240 HydrophobicContact CG2-CG1 4.46Å; I4218-I4240 HydrophobicContact CG2-CG2 4.02Å; I4218-E4241 CarbonylContact C-O 3.59Å; I4218-E4241 WeakPolarHBondContact CA-O 3.33Å; I4218-M4242 HydrophobicContact CB-SD 4.45Å; I4218-M4242 HydrophobicContact CD1-CE 4.19Å; I4218-M4242 HydrophobicContact CD1-SD 3.98Å; I4218-M4242 HydrophobicContact CG1-CE 4.34Å; I4218-M4242 HydrophobicContact CG1-SD 3.8Å; I4218-M4242 HydrophobicContact CG2-SD 4.09Å; I4218-I4315 HydrophobicContact CD1-CB 4.17Å; I4218-I4315 HydrophobicContact CD1-CD1 3.5Å; I4218-I4315 HydrophobicContact CD1-CG1 4.41Å; I4218-T4336 HydrophobicContact CD1-CG2 3.55Å; I4218-T4336 HydrophobicContact CG1-CG2 3.92Å; I4218-I4338 HydrophobicContact CG2-CD1 4.25Å |
| 4219 | R | 87.4 | Confident | 83.2 | Confident | 114 Ų | 114 | 56.8 Ų | 56.8 | 43% | 0.43 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.8 | 172.7 | -63.6 | 179.8 | 175.3 | 174.1 | -2.7 | 111.5 | I4240 E4241 | R4219-I4240 CarbonylContact O-C 3.47Å; R4219-I4240 WeakPolarHBondContact O-CA 3.49Å; R4219-E4241 HydrophobicContact CB-CB 4.24Å; R4219-E4241 PolarHBondContact N-O 3.01Å; R4219-E4241 PolarHBondContact O-N 2.94Å |
| 4220 | P | 87.1 | Confident | 83.3 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.032 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 148.2 | 172.2 | -20.8 | 32.3 | 0 | 0 | 0 | 112.7 | P4222 S4223 N4227 I4229 I4230 I4338 | P4220-P4222 CarbonylContact C-O 3.47Å; P4220-P4222 CarbonylContact O-C 3.56Å; P4220-S4223 WeakPolarHBondContact O-CA 3.35Å; P4220-S4223 PolarHBondContact O-N 3.48Å; P4220-N4227 WeakPolarHBondContact CD-O 3.32Å; P4220-I4229 WeakPolarHBondContact CG-O 3.41Å; P4220-I4230 HydrophobicContact CB-CD1 4.44Å; P4220-I4230 HydrophobicContact CB-CG1 4.01Å; P4220-I4230 HydrophobicContact CG-CG1 4.05Å; P4220-I4338 HydrophobicContact CG-CD1 4.43Å |
| 4221 | I | 86.1 | Confident | 83.4 | Confident | 68 Ų | 68 | 56.9 Ų | 56.9 | 35% | 0.349 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 120.4 | 166.9 | -59.9 | 179.7 | 0 | 0 | 0 | 109 | S4239 E4241 I4299 | I4221-S4239 PolarHBondContact N-O 3.06Å; I4221-E4241 HydrophobicContact CD1-CB 4.22Å; I4221-I4299 HydrophobicContact CD1-CB 4.39Å; I4221-I4299 HydrophobicContact CD1-CD1 3.58Å; I4221-I4299 HydrophobicContact CD1-CG1 3.66Å; I4221-I4299 HydrophobicContact CD1-CG2 3.87Å |
| 4222 | P | 85.7 | Confident | 83.8 | Confident | 111 Ų | 111 | 54.7 Ų | 54.7 | 72% | 0.721 | 30% | 0.304 | S | S | * | . | S | Bend | cis | -67.2 | 154.3 | -1.6 | 29.5 | -34.9 | 0 | 0 | 0 | 112.7 | P4220 | P4220-P4222 CarbonylContact C-O 3.47Å; P4220-P4222 CarbonylContact O-C 3.56Å |
| 4223 | S | 80 | Confident | 84.2 | Confident | 105 Ų | 105 | 55.7 Ų | 55.7 | 73% | 0.734 | 31% | 0.314 | S | S | * | . | trans | -63.8 | 146.2 | 178.5 | 55.3 | 0 | 0 | 0 | 0 | 111.1 | P4220 | P4220-S4223 WeakPolarHBondContact O-CA 3.35Å; P4220-S4223 PolarHBondContact O-N 3.48Å | ||
| 4224 | N | 75.9 | Confident | 84.5 | Confident | 60 Ų | 60 | 52.1 Ų | 52.1 | 32% | 0.321 | 30% | 0.299 | S | S | . | . | trans | -135.1 | 177.6 | 178.6 | 61.3 | 20.8 | 0 | 0 | 0 | 110.3 | D4226 I4229 | N4224-D4226 PolarHBondContact O-N 3.27Å; N4224-D4226 PolarHBondContact OD1-N 2.92Å; N4224-D4226 PolarHBondContact OD1-O 3.21Å; N4224-I4229 PolarHBondContact ND2-O 3Å | ||
| 4225 | S | 76.4 | Confident | 84.5 | Confident | 136 Ų | 136 | 56.5 Ų | 56.5 | 95% | 0.951 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -69.4 | -19.4 | -178.8 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 4226 | D | 78.2 | Confident | 84.8 | Confident | 62 Ų | 62 | 60 Ų | 60 | 33% | 0.332 | 34% | 0.336 | S | S | . | . | trans | -130.6 | 97 | -179.4 | -176.2 | -6.9 | 0 | 0 | 0 | 109.9 | N4224 S4228 I4229 | N4224-D4226 PolarHBondContact O-N 3.27Å; N4224-D4226 PolarHBondContact OD1-N 2.92Å; N4224-D4226 PolarHBondContact OD1-O 3.21Å; D4226-S4228 VanDerWaalsContact CG-OG 3.25Å; D4226-S4228 PolarHBondContact O-N 3.38Å; D4226-S4228 VanDerWaalsContact OD1-CB 3.28Å; D4226-S4228 WeakPolarHBondContact OD1-CB 3.27Å; D4226-S4228 PolarHBondContact OD1-N 2.78Å; D4226-S4228 PolarHBondContact OD1-OG 2.99Å; D4226-S4228 PolarHBondContact OD2-OG 3.15Å; D4226-I4229 HydrophobicContact CB-CD1 4.37Å; D4226-I4229 HydrophobicContact CB-CG1 4.45Å; D4226-I4229 PolarHBondContact O-N 2.91Å; D4226-I4229 WeakPolarHBondContact OD2-CD1 3.2Å; D4226-I4229 WeakPolarHBondContact OD2-CG1 3.37Å | ||
| 4227 | N | 77.3 | Confident | 84.9 | Confident | 66 Ų | 66 | 62.7 Ų | 62.7 | 35% | 0.353 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -13 | 179.8 | -68.6 | -28 | 0 | 0 | 0 | 113.8 | P4220 I4229 | P4220-N4227 WeakPolarHBondContact CD-O 3.32Å; N4227-I4229 VanDerWaalsContact C-N 3.3Å |
| 4228 | S | 79.9 | Confident | 85.1 | Confident | 42 Ų | 42 | 60.3 Ų | 60.3 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -1.5 | 175.4 | 78.4 | 0 | 0 | 0 | 0 | 113.9 | D4226 I4338 R4339 | D4226-S4228 VanDerWaalsContact CG-OG 3.25Å; D4226-S4228 PolarHBondContact O-N 3.38Å; D4226-S4228 VanDerWaalsContact OD1-CB 3.28Å; D4226-S4228 WeakPolarHBondContact OD1-CB 3.27Å; D4226-S4228 PolarHBondContact OD1-N 2.78Å; D4226-S4228 PolarHBondContact OD1-OG 2.99Å; D4226-S4228 PolarHBondContact OD2-OG 3.15Å; S4228-I4338 WeakPolarHBondContact O-CG1 3.37Å; S4228-R4339 PolarHBondContact O-N 3.48Å; S4228-R4339 PolarHBondContact OG-NH2 2.95Å |
| 4229 | I | 84.1 | Confident | 85.3 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 12% | 0.123 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 138.6 | -174.7 | -61.2 | -179.7 | 0 | 0 | 0 | 110.5 | P4220 N4224 D4226 N4227 K4231 R4339 Y4341 | P4220-I4229 WeakPolarHBondContact CG-O 3.41Å; N4224-I4229 PolarHBondContact ND2-O 3Å; D4226-I4229 HydrophobicContact CB-CD1 4.37Å; D4226-I4229 HydrophobicContact CB-CG1 4.45Å; D4226-I4229 PolarHBondContact O-N 2.91Å; D4226-I4229 WeakPolarHBondContact OD2-CD1 3.2Å; D4226-I4229 WeakPolarHBondContact OD2-CG1 3.37Å; N4227-I4229 VanDerWaalsContact C-N 3.3Å; I4229-K4231 HydrophobicContact CG2-CG 4.32Å; I4229-R4339 CarbonylContact C-O 3.59Å; I4229-R4339 VanDerWaalsContact CA-O 3.23Å; I4229-R4339 WeakPolarHBondContact CA-O 3.39Å; I4229-R4339 HydrophobicContact CG1-CB 4.42Å; I4229-Y4341 HydrophobicContact CD1-CE2 4.16Å; I4229-Y4341 HydrophobicContact CG1-CE2 4.39Å; I4229-Y4341 HydrophobicContact CG2-CD2 3.54Å; I4229-Y4341 HydrophobicContact CG2-CE2 3.62Å |
| 4230 | I | 88.8 | Confident | 85.4 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.051 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.7 | 165.7 | -54.4 | -172.4 | 0 | 0 | 0 | 107.7 | P4220 L4232 F4238 I4240 I4338 R4339 I4340 Y4341 | P4220-I4230 HydrophobicContact CB-CD1 4.44Å; P4220-I4230 HydrophobicContact CB-CG1 4.01Å; P4220-I4230 HydrophobicContact CG-CG1 4.05Å; I4230-L4232 HydrophobicContact CG2-CD2 3.95Å; I4230-F4238 HydrophobicContact CD1-CD2 3.35Å; I4230-F4238 HydrophobicContact CD1-CE2 3.75Å; I4230-F4238 HydrophobicContact CD1-CG 4.19Å; I4230-F4238 HydrophobicContact CG2-CB 4.02Å; I4230-F4238 HydrophobicContact CG2-CD2 4.46Å; I4230-F4238 HydrophobicContact CG2-CG 4.32Å; I4230-I4240 HydrophobicContact CD1-CG2 3.61Å; I4230-I4338 HydrophobicContact CD1-CD1 3.7Å; I4230-I4338 HydrophobicContact CG1-CD1 3.63Å; I4230-I4338 HydrophobicContact CG1-CG1 4.21Å; I4230-R4339 PolarHBondContact N-O 3.13Å; I4230-I4340 HydrophobicContact CB-CG1 4.38Å; I4230-I4340 HydrophobicContact CB-CG2 4.35Å; I4230-I4340 CarbonylContact O-C 3.6Å; I4230-I4340 WeakPolarHBondContact O-CA 3.46Å; I4230-Y4341 PolarHBondContact O-N 3.2Å |
| 4231 | K | 87.2 | Confident | 85.6 | Confident | 95 Ų | 95 | 57.5 Ų | 57.5 | 41% | 0.413 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.1 | 172.2 | -67.1 | -179.7 | 172.3 | -175.7 | 0 | 108.5 | I4229 Y4341 E4349 | I4229-K4231 HydrophobicContact CG2-CG 4.32Å; K4231-Y4341 CarbonylContact C-O 3.46Å; K4231-Y4341 WeakPolarHBondContact CA-O 3.37Å; K4231-E4349 VanDerWaalsContact NZ-CD 3.26Å; K4231-E4349 IonicContact NZ-OE1 2.65Å; K4231-E4349 PolarHBondContact NZ-OE1 3.22Å; K4231-E4349 IonicContact NZ-OE2 3.82Å; K4231-E4349 PolarHBondContact NZ-OE2 2.85Å |
| 4232 | L | 87.9 | Confident | 85.7 | Confident | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 161 | -179 | 61.9 | 96 | 0 | 0 | 0 | 111 | I4230 Q4236 F4238 I4340 Y4341 V4342 N4343 | I4230-L4232 HydrophobicContact CG2-CD2 3.95Å; L4232-Q4236 HydrophobicContact CB-CB 4.28Å; L4232-Q4236 HydrophobicContact CB-CG 4.45Å; L4232-Q4236 HydrophobicContact CD1-CB 4.43Å; L4232-F4238 HydrophobicContact CD2-CB 4Å; L4232-F4238 HydrophobicContact CD2-CD1 3.6Å; L4232-F4238 HydrophobicContact CD2-CE1 4.39Å; L4232-F4238 HydrophobicContact CD2-CG 4Å; L4232-I4340 HydrophobicContact CD2-CG2 3.37Å; L4232-I4340 HydrophobicContact CG-CG2 4.05Å; L4232-Y4341 PolarHBondContact N-O 3.33Å; L4232-V4342 HydrophobicContact CD1-CB 4.19Å; L4232-V4342 HydrophobicContact CD1-CG1 3.88Å; L4232-V4342 HydrophobicContact CD1-CG2 3.68Å; L4232-V4342 HydrophobicContact CG-CG2 4.1Å; L4232-V4342 CarbonylContact O-C 3.59Å; L4232-V4342 VanDerWaalsContact O-CA 3.29Å; L4232-V4342 WeakPolarHBondContact O-CA 3.44Å; L4232-N4343 PolarHBondContact O-N 2.97Å |
| 4233 | S | 88.7 | Confident | 85.8 | Confident | 48 Ų | 48 | 50 Ų | 50 | 34% | 0.336 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 157.6 | 172 | -59.8 | 0 | 0 | 0 | 0 | 110.6 | N4235 Q4236 N4343 | S4233-N4235 PolarHBondContact O-N 3.46Å; S4233-Q4236 WeakPolarHBondContact O-CB 3.35Å; S4233-Q4236 PolarHBondContact O-N 3.42Å; S4233-N4343 WeakPolarHBondContact CA-O 3.26Å |
| 4234 | V | 88.7 | Confident | 86.1 | Confident | 25 Ų | 25 | 45 Ų | 45 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -45.3 | 134.3 | 172.1 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | Q4236 Q4306 V4342 N4343 I4345 | V4234-Q4236 PolarHBondContact O-N 3.29Å; V4234-Q4306 VanDerWaalsContact CG1-O 3.24Å; V4234-Q4306 WeakPolarHBondContact CG1-O 3.31Å; V4234-V4342 HydrophobicContact CG2-CG1 3.91Å; V4234-N4343 PolarHBondContact N-O 2.97Å; V4234-I4345 HydrophobicContact CB-CG1 4.2Å |
| 4235 | N | 87.7 | Confident | 86.6 | Confident | 103 Ų | 103 | 43.1 Ų | 43.1 | 55% | 0.551 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 4.4 | -177.2 | -59.7 | -38 | 0 | 0 | 0 | 116.8 | S4233 F4305 Q4306 | S4233-N4235 PolarHBondContact O-N 3.46Å; N4235-F4305 PolarHBondContact N-O 3.07Å; N4235-Q4306 WeakPolarHBondContact OD1-CA 3.32Å; N4235-Q4306 WeakPolarHBondContact OD1-CG 3.28Å |
| 4236 | Q | 90.3 | Very high | 86.9 | Confident | 98 Ų | 98 | 36.8 Ų | 36.8 | 46% | 0.458 | 20% | 0.202 | S | C | . | . | trans | -81.4 | 120.5 | 176 | -173.9 | -177 | -3.9 | 0 | 0 | 111 | L4232 S4233 V4234 G4304 | L4232-Q4236 HydrophobicContact CB-CB 4.28Å; L4232-Q4236 HydrophobicContact CB-CG 4.45Å; L4232-Q4236 HydrophobicContact CD1-CB 4.43Å; S4233-Q4236 WeakPolarHBondContact O-CB 3.35Å; S4233-Q4236 PolarHBondContact O-N 3.42Å; V4234-Q4236 PolarHBondContact O-N 3.29Å; Q4236-G4304 WeakPolarHBondContact O-CA 3.43Å | ||
| 4237 | S | 90.4 | Very high | 87 | Confident | 67 Ų | 67 | 39.6 Ų | 39.6 | 47% | 0.469 | 21% | 0.211 | S | C | . | . | trans | -65.3 | 152.7 | 169.1 | 55.5 | 0 | 0 | 0 | 0 | 111.4 | I4302 | S4237-I4302 WeakPolarHBondContact CA-O 3.45Å; S4237-I4302 WeakPolarHBondContact CB-O 3.31Å | ||
| 4238 | F | 90.9 | Very high | 86.9 | Confident | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 154.1 | 177.7 | 64.4 | -83.1 | 0 | 0 | 0 | 110.9 | I4230 L4232 I4240 T4301 I4302 F4305 I4340 | I4230-F4238 HydrophobicContact CD1-CD2 3.35Å; I4230-F4238 HydrophobicContact CD1-CE2 3.75Å; I4230-F4238 HydrophobicContact CD1-CG 4.19Å; I4230-F4238 HydrophobicContact CG2-CB 4.02Å; I4230-F4238 HydrophobicContact CG2-CD2 4.46Å; I4230-F4238 HydrophobicContact CG2-CG 4.32Å; L4232-F4238 HydrophobicContact CD2-CB 4Å; L4232-F4238 HydrophobicContact CD2-CD1 3.6Å; L4232-F4238 HydrophobicContact CD2-CE1 4.39Å; L4232-F4238 HydrophobicContact CD2-CG 4Å; F4238-I4240 HydrophobicContact CD2-CG2 4.15Å; F4238-I4240 HydrophobicContact CE2-CG2 4.26Å; F4238-T4301 WeakPolarHBondContact O-CA 3.41Å; F4238-I4302 HydrophobicContact CD2-CB 4.46Å; F4238-I4302 HydrophobicContact CE1-CB 3.9Å; F4238-I4302 HydrophobicContact CE1-CG2 3.75Å; F4238-I4302 HydrophobicContact CE2-CB 3.89Å; F4238-I4302 HydrophobicContact CE2-CD1 3.8Å; F4238-I4302 HydrophobicContact CE2-CG1 4.38Å; F4238-I4302 HydrophobicContact CE2-CG2 4.33Å; F4238-I4302 HydrophobicContact CZ-CB 3.57Å; F4238-I4302 HydrophobicContact CZ-CD1 3.96Å; F4238-I4302 HydrophobicContact CZ-CG1 4.37Å; F4238-I4302 HydrophobicContact CZ-CG2 3.52Å; F4238-I4302 PolarHBondContact N-O 3.38Å; F4238-I4302 PolarHBondContact O-N 3.41Å; F4238-F4305 AromaticContact CE1-CE2 3.78Å; F4238-F4305 HydrophobicContact CE1-CE2 3.78Å; F4238-F4305 HydrophobicContact CE1-CZ 4.46Å; F4238-F4305 HydrophobicContact CZ-CE2 4.39Å; F4238-I4340 HydrophobicContact CE1-CD1 3.92Å; F4238-I4340 HydrophobicContact CE2-CD1 3.92Å; F4238-I4340 HydrophobicContact CZ-CD1 3.42Å; F4238-I4340 VanDerWaalsContact CZ-CD1 3.42Å |
| 4239 | S | 91.9 | Very high | 86.9 | Confident | 26 Ų | 26 | 40.2 Ų | 40.2 | 18% | 0.182 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 144.1 | 178.4 | -60 | 0 | 0 | 0 | 0 | 110.1 | I4221 W4300 T4301 | I4221-S4239 PolarHBondContact N-O 3.06Å; S4239-W4300 WeakPolarHBondContact CA-O 3.45Å; S4239-T4301 PolarHBondContact OG-OG1 3.41Å |
| 4240 | I | 91.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 134 | 175.4 | 56 | 179.1 | 0 | 0 | 0 | 110.1 | I4218 R4219 I4230 F4238 M4242 I4299 W4300 I4302 I4315 | I4218-I4240 HydrophobicContact CG2-CB 3.81Å; I4218-I4240 HydrophobicContact CG2-CD1 4.11Å; I4218-I4240 HydrophobicContact CG2-CG1 4.46Å; I4218-I4240 HydrophobicContact CG2-CG2 4.02Å; R4219-I4240 CarbonylContact O-C 3.47Å; R4219-I4240 WeakPolarHBondContact O-CA 3.49Å; I4230-I4240 HydrophobicContact CD1-CG2 3.61Å; F4238-I4240 HydrophobicContact CD2-CG2 4.15Å; F4238-I4240 HydrophobicContact CE2-CG2 4.26Å; I4240-M4242 HydrophobicContact CD1-SD 3.55Å; I4240-M4242 VanDerWaalsContact CD1-SD 3.55Å; I4240-M4242 HydrophobicContact CG1-CG 4.32Å; I4240-M4242 HydrophobicContact CG1-SD 3.89Å; I4240-I4299 CarbonylContact O-C 3.51Å; I4240-I4299 WeakPolarHBondContact O-CA 3.46Å; I4240-W4300 HydrophobicContact CD1-CE3 4.07Å; I4240-W4300 HydrophobicContact CG1-CB 4.06Å; I4240-W4300 WeakPolarHBondContact CG1-O 3.29Å; I4240-W4300 PolarHBondContact N-O 2.85Å; I4240-W4300 PolarHBondContact O-N 3.1Å; I4240-I4302 HydrophobicContact CD1-CD1 3.77Å; I4240-I4302 HydrophobicContact CG1-CD1 4.31Å; I4240-I4315 HydrophobicContact CD1-CD1 3.33Å |
| 4241 | E | 90.4 | Very high | 86.1 | Confident | 49 Ų | 49 | 43.5 Ų | 43.5 | 23% | 0.229 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 127.7 | 166.7 | -176.5 | -177.7 | -145.8 | 0 | 0 | 109 | I4218 R4219 I4221 S4297 F4298 | I4218-E4241 CarbonylContact C-O 3.59Å; I4218-E4241 WeakPolarHBondContact CA-O 3.33Å; R4219-E4241 HydrophobicContact CB-CB 4.24Å; R4219-E4241 PolarHBondContact N-O 3.01Å; R4219-E4241 PolarHBondContact O-N 2.94Å; I4221-E4241 HydrophobicContact CD1-CB 4.22Å; E4241-S4297 WeakPolarHBondContact OE1-CB 3.36Å; E4241-S4297 PolarHBondContact OE1-OG 2.78Å; E4241-F4298 WeakPolarHBondContact CA-O 3.48Å |
| 4242 | M | 88.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 121.9 | -177.5 | -59.3 | -65.1 | -78.3 | 0 | 0 | 108.7 | L4216 I4218 I4240 F4265 S4297 F4298 W4300 I4315 | L4216-M4242 HydrophobicContact CD1-CB 4.5Å; L4216-M4242 HydrophobicContact CD1-CE 3.96Å; L4216-M4242 HydrophobicContact CD2-CE 3.39Å; L4216-M4242 HydrophobicContact CG-CE 4.01Å; I4218-M4242 HydrophobicContact CB-SD 4.45Å; I4218-M4242 HydrophobicContact CD1-CE 4.19Å; I4218-M4242 HydrophobicContact CD1-SD 3.98Å; I4218-M4242 HydrophobicContact CG1-CE 4.34Å; I4218-M4242 HydrophobicContact CG1-SD 3.8Å; I4218-M4242 HydrophobicContact CG2-SD 4.09Å; I4240-M4242 HydrophobicContact CD1-SD 3.55Å; I4240-M4242 VanDerWaalsContact CD1-SD 3.55Å; I4240-M4242 HydrophobicContact CG1-CG 4.32Å; I4240-M4242 HydrophobicContact CG1-SD 3.89Å; M4242-F4265 HydrophobicContact CE-CD1 3.6Å; M4242-F4265 HydrophobicContact CE-CE1 3.8Å; M4242-S4297 VanDerWaalsContact O-CA 3.25Å; M4242-S4297 WeakPolarHBondContact O-CA 3.45Å; M4242-F4298 HydrophobicContact CB-CD1 4.04Å; M4242-F4298 HydrophobicContact CB-CD2 4.02Å; M4242-F4298 HydrophobicContact CB-CE1 3.57Å; M4242-F4298 HydrophobicContact CB-CE2 3.5Å; M4242-F4298 VanDerWaalsContact CB-CE2 3.5Å; M4242-F4298 HydrophobicContact CB-CG 4.26Å; M4242-F4298 HydrophobicContact CB-CZ 3.26Å; M4242-F4298 HydrophobicContact CG-CD2 4.19Å; M4242-F4298 HydrophobicContact CG-CE1 4.44Å; M4242-F4298 HydrophobicContact CG-CE2 3.49Å; M4242-F4298 VanDerWaalsContact CG-CE2 3.49Å; M4242-F4298 HydrophobicContact CG-CZ 3.66Å; M4242-F4298 PolarHBondContact N-O 2.87Å; M4242-F4298 PolarHBondContact O-N 3.02Å; M4242-F4298 VanDerWaalsContact O-N 3.1Å; M4242-W4300 HydrophobicContact CG-CB 4.34Å; M4242-I4315 HydrophobicContact CE-CG2 3.6Å |
| 4243 | N | 87.9 | Confident | 85.1 | Confident | 22 Ų | 22 | 42.4 Ų | 42.4 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 126.1 | 179.3 | -167.1 | -13 | 0 | 0 | 0 | 110.7 | L4217 N4296 | L4217-N4243 HydrophobicContact CB-CB 4.47Å; L4217-N4243 PolarHBondContact N-O 3.2Å; L4217-N4243 PolarHBondContact O-N 2.78Å; N4243-N4296 PolarHBondContact OD1-O 2.83Å |
| 4244 | I | 86.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 122.5 | 176.5 | -53.2 | -179.3 | 0 | 0 | 0 | 108.5 | L4214 L4216 V4253 I4256 W4263 F4265 L4333 | L4214-I4244 HydrophobicContact CB-CG2 4.11Å; L4214-I4244 HydrophobicContact CD1-CG2 4.36Å; L4214-I4244 HydrophobicContact CD2-CG2 4.33Å; L4216-I4244 HydrophobicContact CD1-CG1 4.44Å; I4244-V4253 PolarHBondContact O-N 3.11Å; I4244-V4253 VanDerWaalsContact O-N 3.07Å; I4244-I4256 HydrophobicContact CB-CG2 3.82Å; I4244-I4256 HydrophobicContact CD1-CB 4.29Å; I4244-I4256 HydrophobicContact CD1-CD1 3.95Å; I4244-I4256 HydrophobicContact CD1-CG2 4.17Å; I4244-I4256 HydrophobicContact CG1-CG2 4.42Å; I4244-I4256 HydrophobicContact CG2-CG2 4.24Å; I4244-W4263 HydrophobicContact CD1-CD2 3.59Å; I4244-W4263 VanDerWaalsContact CD1-CE2 3.48Å; I4244-W4263 HydrophobicContact CD1-CE3 4.04Å; I4244-W4263 HydrophobicContact CD1-CG 4Å; I4244-W4263 HydrophobicContact CD1-CH2 4.25Å; I4244-W4263 HydrophobicContact CD1-CZ2 3.83Å; I4244-W4263 HydrophobicContact CD1-CZ3 4.34Å; I4244-F4265 HydrophobicContact CD1-CZ 4.47Å; I4244-L4333 HydrophobicContact CD1-CD1 4.14Å; I4244-L4333 HydrophobicContact CG1-CD1 3.95Å; I4244-L4333 HydrophobicContact CG2-CD1 4.33Å; I4244-L4333 HydrophobicContact CG2-CD2 4.15Å |
| 4245 | I | 86.4 | Confident | 83.5 | Confident | 20 Ų | 20 | 56 Ų | 56 | 10% | 0.103 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 155 | -177.3 | 58.1 | 166.2 | 0 | 0 | 0 | 110.5 | L4214 S4215 L4217 K4247 S4251 | L4214-I4245 CarbonylContact C-O 3.48Å; L4214-I4245 WeakPolarHBondContact CA-O 3.5Å; S4215-I4245 PolarHBondContact N-O 3.15Å; S4215-I4245 WeakPolarHBondContact O-CG1 3.21Å; S4215-I4245 PolarHBondContact O-N 2.87Å; L4217-I4245 HydrophobicContact CB-CD1 4.12Å; L4217-I4245 HydrophobicContact CB-CG1 4.34Å; L4217-I4245 HydrophobicContact CB-CG2 3.89Å; L4217-I4245 HydrophobicContact CD2-CG2 4.3Å; I4245-K4247 PolarHBondContact O-N 2.97Å; I4245-S4251 CarbonylContact C-O 3.49Å; I4245-S4251 VanDerWaalsContact CA-O 3.28Å; I4245-S4251 WeakPolarHBondContact CA-O 3.49Å; I4245-S4251 WeakPolarHBondContact CB-O 3.39Å |
| 4246 | D | 82 | Confident | 82.9 | Confident | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 127.5 | 165 | 177.4 | -71.5 | 0 | 0 | 0 | 108.6 | K4212 Q4248 T4249 G4250 S4251 V4253 | K4212-D4246 WeakPolarHBondContact CE-OD2 3.38Å; K4212-D4246 WeakPolarHBondContact CG-OD2 3.16Å; D4246-Q4248 VanDerWaalsContact C-N 3.27Å; D4246-Q4248 PolarHBondContact O-N 2.8Å; D4246-Q4248 WeakPolarHBondContact OD1-CA 3.34Å; D4246-Q4248 WeakPolarHBondContact OD1-CB 3.45Å; D4246-Q4248 PolarHBondContact OD1-N 3.16Å; D4246-T4249 WeakPolarHBondContact CB-OG1 3.39Å; D4246-T4249 PolarHBondContact OD1-N 2.63Å; D4246-T4249 PolarHBondContact OD1-OG1 3.47Å; D4246-G4250 VanDerWaalsContact O-CA 3.3Å; D4246-G4250 WeakPolarHBondContact O-CA 3.35Å; D4246-G4250 PolarHBondContact O-N 2.76Å; D4246-S4251 PolarHBondContact N-O 2.93Å; D4246-V4253 HydrophobicContact CB-CG2 4.15Å |
| 4247 | K | 79.7 | Confident | 82 | Confident | 121 Ų | 121 | 48.7 Ų | 48.7 | 53% | 0.526 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -29.4 | -174.6 | -175.3 | 178.4 | 178.3 | -177.5 | 0 | 112.9 | Q4213 I4245 | Q4213-K4247 HydrophobicContact CB-CB 4.04Å; Q4213-K4247 HydrophobicContact CB-CD 4.44Å; Q4213-K4247 PolarHBondContact O-N 3.4Å; I4245-K4247 PolarHBondContact O-N 2.97Å |
| 4248 | Q | 76.6 | Confident | 81.1 | Confident | 73 Ų | 73 | 49.5 Ų | 49.5 | 34% | 0.341 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -41.3 | -175.8 | -63 | -175.4 | -0.1 | 0 | 0 | 111.5 | D4246 | D4246-Q4248 VanDerWaalsContact C-N 3.27Å; D4246-Q4248 PolarHBondContact O-N 2.8Å; D4246-Q4248 WeakPolarHBondContact OD1-CA 3.34Å; D4246-Q4248 WeakPolarHBondContact OD1-CB 3.45Å; D4246-Q4248 PolarHBondContact OD1-N 3.16Å |
| 4249 | T | 78.9 | Confident | 80.3 | Confident | 47 Ų | 47 | 53.7 Ų | 53.7 | 29% | 0.288 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -23.2 | -177 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | Y4111 D4246 S4251 | Y4111-T4249 HydrophobicContact CD2-CG2 4.3Å; Y4111-T4249 HydrophobicContact CE1-CG2 4.31Å; Y4111-T4249 HydrophobicContact CE2-CG2 3.51Å; D4246-T4249 WeakPolarHBondContact CB-OG1 3.39Å; D4246-T4249 PolarHBondContact OD1-N 2.63Å; D4246-T4249 PolarHBondContact OD1-OG1 3.47Å; T4249-S4251 PolarHBondContact O-N 2.95Å; T4249-S4251 PolarHBondContact OG1-N 2.84Å |
| 4250 | G | 76.7 | Confident | 79.4 | Confident | 41 Ų | 41 | 57.3 Ų | 57.3 | 42% | 0.423 | 28% | 0.284 | S | S | . | . | trans | 75.4 | 0.3 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114 | D4246 | D4246-G4250 VanDerWaalsContact O-CA 3.3Å; D4246-G4250 WeakPolarHBondContact O-CA 3.35Å; D4246-G4250 PolarHBondContact O-N 2.76Å | ||
| 4251 | S | 79.9 | Confident | 79 | Confident | 62 Ų | 62 | 57.3 Ų | 57.3 | 43% | 0.434 | 28% | 0.284 | S | S | . | . | trans | -81.2 | 145.6 | -176.8 | -64.5 | 0 | 0 | 0 | 0 | 112 | I4245 D4246 T4249 V4253 | I4245-S4251 CarbonylContact C-O 3.49Å; I4245-S4251 VanDerWaalsContact CA-O 3.28Å; I4245-S4251 WeakPolarHBondContact CA-O 3.49Å; I4245-S4251 WeakPolarHBondContact CB-O 3.39Å; D4246-S4251 PolarHBondContact N-O 2.93Å; T4249-S4251 PolarHBondContact O-N 2.95Å; T4249-S4251 PolarHBondContact OG1-N 2.84Å; S4251-V4253 PolarHBondContact O-N 2.78Å | ||
| 4252 | P | 78.2 | Confident | 78.8 | Confident | 75 Ų | 75 | 55.5 Ų | 55.5 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | B | Isolated β-bridge | trans | -55.7 | 135.8 | 171 | -23.2 | 33.7 | 0 | 0 | 0 | 111.5 | E4254 | P4252-E4254 PolarHBondContact O-N 3.33Å |
| 4253 | V | 75.1 | Confident | 78.8 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 2% | 0.018 | 28% | 0.276 | C | S | . | . | trans | -81.9 | 112.4 | 174.1 | 174.8 | 0 | 0 | 0 | 0 | 108.9 | L4214 I4244 D4246 S4251 R4255 I4256 W4258 N4296 | L4214-V4253 HydrophobicContact CD2-CG2 3.63Å; I4244-V4253 PolarHBondContact O-N 3.11Å; I4244-V4253 VanDerWaalsContact O-N 3.07Å; D4246-V4253 HydrophobicContact CB-CG2 4.15Å; S4251-V4253 PolarHBondContact O-N 2.78Å; V4253-R4255 VanDerWaalsContact C-N 3.27Å; V4253-R4255 PolarHBondContact O-N 2.74Å; V4253-I4256 HydrophobicContact CB-CG2 3.96Å; V4253-I4256 HydrophobicContact CG1-CG2 4.05Å; V4253-W4258 HydrophobicContact CG1-CE3 4.08Å; V4253-W4258 HydrophobicContact CG1-CH2 3.64Å; V4253-W4258 HydrophobicContact CG1-CZ3 3.37Å; V4253-N4296 WeakPolarHBondContact O-CB 3.38Å; V4253-N4296 PolarHBondContact O-ND2 2.79Å; V4253-N4296 PolarHBondContact O-OD1 2.88Å | ||
| 4254 | E | 71.6 | Confident | 78.8 | Confident | 173 Ų | 173 | 58.8 Ų | 58.8 | 81% | 0.808 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -58.6 | -29.5 | -172.7 | -71.7 | -172.6 | 177.9 | 0 | 0 | 115.9 | P4252 N4296 | P4252-E4254 PolarHBondContact O-N 3.33Å; E4254-N4296 WeakPolarHBondContact CA-ND2 3.5Å; E4254-N4296 PolarHBondContact O-ND2 2.83Å; E4254-N4296 PolarHBondContact O-OD1 3.48Å; E4254-N4296 VanDerWaalsContact O-OD1 3.09Å |
| 4255 | R | 72.4 | Confident | 79.1 | Confident | 186 Ų | 186 | 58.8 Ų | 58.8 | 70% | 0.702 | 29% | 0.289 | S | S | * | . | trans | -136.7 | 94 | 175.2 | -72.1 | -174.6 | -175 | 165.4 | 1.8 | 110.5 | V4253 N4257 W4258 | V4253-R4255 VanDerWaalsContact C-N 3.27Å; V4253-R4255 PolarHBondContact O-N 2.74Å; R4255-N4257 PolarHBondContact O-N 3.31Å; R4255-W4258 PolarHBondContact O-N 2.95Å | ||
| 4256 | I | 75.1 | Confident | 79.3 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -11.3 | 177.6 | 61.3 | 175 | 0 | 0 | 0 | 113.3 | I4244 V4253 Y4289 S4291 N4296 | I4244-I4256 HydrophobicContact CB-CG2 3.82Å; I4244-I4256 HydrophobicContact CD1-CB 4.29Å; I4244-I4256 HydrophobicContact CD1-CD1 3.95Å; I4244-I4256 HydrophobicContact CD1-CG2 4.17Å; I4244-I4256 HydrophobicContact CG1-CG2 4.42Å; I4244-I4256 HydrophobicContact CG2-CG2 4.24Å; V4253-I4256 HydrophobicContact CB-CG2 3.96Å; V4253-I4256 HydrophobicContact CG1-CG2 4.05Å; I4256-Y4289 HydrophobicContact CD1-CD1 4.29Å; I4256-Y4289 HydrophobicContact CD1-CE1 3.77Å; I4256-S4291 VanDerWaalsContact CG1-OG 3.28Å; I4256-S4291 WeakPolarHBondContact CG1-OG 3.32Å; I4256-N4296 HydrophobicContact CG2-CB 4.37Å |
| 4257 | N | 72.2 | Confident | 79.7 | Confident | 46 Ų | 46 | 59.7 Ų | 59.7 | 25% | 0.246 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 16.5 | 172.6 | 65.5 | -11.8 | 0 | 0 | 0 | 114.4 | R4255 R4259 N4260 S4291 | R4255-N4257 PolarHBondContact O-N 3.31Å; N4257-R4259 PolarHBondContact O-N 2.88Å; N4257-N4260 PolarHBondContact O-N 2.84Å; N4257-S4291 WeakPolarHBondContact CB-OG 3.36Å |
| 4258 | W | 71.1 | Confident | 80.2 | Confident | 84 Ų | 84 | 57 Ų | 57 | 32% | 0.318 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -11.5 | -174 | 59.9 | 26.3 | 0 | 0 | 0 | 116.3 | K4212 L4214 V4253 R4255 | K4212-W4258 HydrophobicContact CB-CH2 3.98Å; K4212-W4258 HydrophobicContact CB-CZ2 3.97Å; K4212-W4258 HydrophobicContact CD-CH2 3.17Å; K4212-W4258 HydrophobicContact CD-CZ2 4.02Å; K4212-W4258 HydrophobicContact CD-CZ3 3.7Å; K4212-W4258 HydrophobicContact CG-CH2 3.58Å; K4212-W4258 HydrophobicContact CG-CZ2 4.03Å; K4212-W4258 VanDerWaalsContact NZ-CZ3 3.34Å; L4214-W4258 HydrophobicContact CD2-CH2 4.2Å; L4214-W4258 HydrophobicContact CD2-CZ2 4.35Å; V4253-W4258 HydrophobicContact CG1-CE3 4.08Å; V4253-W4258 HydrophobicContact CG1-CH2 3.64Å; V4253-W4258 HydrophobicContact CG1-CZ3 3.37Å; R4255-W4258 PolarHBondContact O-N 2.95Å |
| 4259 | R | 73.4 | Confident | 80.8 | Confident | 94 Ų | 94 | 53.7 Ų | 53.7 | 36% | 0.355 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.1 | 25.6 | -179.7 | -76.1 | -176.9 | 175.8 | -114.9 | 6.6 | 110.9 | E4116 N4257 L4261 Y4331 | E4116-R4259 IonicContact OE2-CZ 3.98Å; E4116-R4259 IonicContact OE2-NE 3.56Å; E4116-R4259 IonicContact OE2-NH2 3.17Å; E4116-R4259 PolarHBondContact OE2-NH2 2.73Å; N4257-R4259 PolarHBondContact O-N 2.88Å; R4259-L4261 HydrophobicContact CB-CG 4.2Å; R4259-Y4331 WeakPolarHBondContact CD-OH 3.37Å; R4259-Y4331 PolarHBondContact NE-OH 3.42Å |
| 4260 | N | 74.2 | Confident | 81.4 | Confident | 102 Ų | 102 | 51.5 Ų | 51.5 | 55% | 0.545 | 26% | 0.258 | S | S | . | . | trans | 56.4 | 52 | -175.8 | -56.6 | -38.8 | 0 | 0 | 0 | 111.9 | N4257 L4321 N4322 | N4257-N4260 PolarHBondContact O-N 2.84Å; N4260-L4321 CarbonylContact O-C 3.54Å; N4260-L4321 WeakPolarHBondContact O-CA 3.39Å; N4260-N4322 VanDerWaalsContact C-OD1 3.26Å; N4260-N4322 HydrophobicContact CB-CB 4.37Å; N4260-N4322 PolarHBondContact O-N 3.36Å; N4260-N4322 PolarHBondContact O-OD1 3.48Å | ||
| 4261 | L | 82.2 | Confident | 81.8 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 136.6 | -178.5 | -62.2 | 175.9 | 0 | 0 | 0 | 111.7 | R4259 W4263 Y4320 L4321 Q4328 Y4331 | R4259-L4261 HydrophobicContact CB-CG 4.2Å; L4261-W4263 HydrophobicContact CD1-CZ2 4.18Å; L4261-Y4320 CarbonylContact C-O 3.54Å; L4261-Y4320 WeakPolarHBondContact CA-O 3.2Å; L4261-L4321 HydrophobicContact CD2-CD2 4.31Å; L4261-Q4328 HydrophobicContact CD2-CB 4.16Å; L4261-Q4328 HydrophobicContact CD2-CG 3.78Å; L4261-Y4331 HydrophobicContact CD1-CD2 3.82Å; L4261-Y4331 HydrophobicContact CD1-CE2 4.34Å; L4261-Y4331 HydrophobicContact CD1-CG 4.13Å; L4261-Y4331 HydrophobicContact CD2-CD2 4.21Å |
| 4262 | I | 85.6 | Confident | 82.1 | Confident | 11 Ų | 11 | 54.5 Ų | 54.5 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 144 | 170.9 | -60.9 | -178.9 | 0 | 0 | 0 | 109.2 | L4288 D4290 Y4320 N4322 | I4262-L4288 HydrophobicContact CG2-CD1 3.85Å; I4262-L4288 HydrophobicContact CG2-CG 4.09Å; I4262-D4290 HydrophobicContact CD1-CB 4.43Å; I4262-D4290 HydrophobicContact CG1-CB 4.32Å; I4262-Y4320 PolarHBondContact N-O 3.46Å; I4262-Y4320 PolarHBondContact O-N 3.25Å; I4262-N4322 HydrophobicContact CD1-CB 4.39Å |
| 4263 | W | 88.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 125.2 | -171.5 | -60.9 | 88.3 | 0 | 0 | 0 | 112.3 | L4214 I4244 L4261 F4265 Y4289 A4317 N4318 A4319 Y4331 L4333 | L4214-W4263 HydrophobicContact CD1-CH2 3.6Å; L4214-W4263 HydrophobicContact CD1-CZ2 3.92Å; I4244-W4263 HydrophobicContact CD1-CD2 3.59Å; I4244-W4263 VanDerWaalsContact CD1-CE2 3.48Å; I4244-W4263 HydrophobicContact CD1-CE3 4.04Å; I4244-W4263 HydrophobicContact CD1-CG 4Å; I4244-W4263 HydrophobicContact CD1-CH2 4.25Å; I4244-W4263 HydrophobicContact CD1-CZ2 3.83Å; I4244-W4263 HydrophobicContact CD1-CZ3 4.34Å; L4261-W4263 HydrophobicContact CD1-CZ2 4.18Å; W4263-F4265 HydrophobicContact CB-CD2 4.25Å; W4263-F4265 HydrophobicContact CB-CE2 3.5Å; W4263-F4265 HydrophobicContact CB-CZ 4.07Å; W4263-F4265 HydrophobicContact CG-CE2 4.45Å; W4263-Y4289 PolarHBondContact N-O 3.25Å; W4263-Y4289 PolarHBondContact O-N 2.95Å; W4263-A4317 HydrophobicContact CE3-CB 4.42Å; W4263-N4318 WeakPolarHBondContact CA-O 3.29Å; W4263-A4319 HydrophobicContact CD2-CB 4.49Å; W4263-A4319 HydrophobicContact CE3-CB 3.96Å; W4263-A4319 HydrophobicContact CH2-CB 3.85Å; W4263-A4319 HydrophobicContact CZ2-CB 4.38Å; W4263-A4319 HydrophobicContact CZ3-CB 3.61Å; W4263-Y4331 WeakPolarHBondContact CH2-O 3.42Å; W4263-Y4331 WeakPolarHBondContact CZ3-O 3.31Å; W4263-L4333 HydrophobicContact CE3-CD1 4.33Å; W4263-L4333 HydrophobicContact CE3-CG 4.19Å; W4263-L4333 HydrophobicContact CH2-CD2 4.06Å; W4263-L4333 HydrophobicContact CH2-CG 4.42Å; W4263-L4333 HydrophobicContact CZ3-CD1 4.15Å; W4263-L4333 HydrophobicContact CZ3-CD2 3.76Å; W4263-L4333 HydrophobicContact CZ3-CG 3.64Å |
| 4264 | K | 89.5 | Confident | 83.2 | Confident | 91 Ų | 91 | 53.8 Ų | 53.8 | 40% | 0.396 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 110.6 | 172.6 | -174.8 | 180 | 177.8 | 178.4 | 0 | 110.7 | L4288 A4317 N4318 Y4320 | K4264-L4288 HydrophobicContact CB-CD1 3.95Å; K4264-L4288 HydrophobicContact CG-CD1 4.39Å; K4264-A4317 VanDerWaalsContact O-CA 3.29Å; K4264-A4317 WeakPolarHBondContact O-CA 3.49Å; K4264-N4318 PolarHBondContact N-O 3.04Å; K4264-N4318 PolarHBondContact O-N 3.4Å; K4264-Y4320 HydrophobicContact CB-CD2 4.41Å; K4264-Y4320 HydrophobicContact CB-CE2 3.95Å |
| 4265 | F | 91.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 138.1 | 175.5 | -64.1 | -93.1 | 0 | 0 | 0 | 111.3 | L4216 M4242 I4244 W4263 T4286 L4287 F4298 W4300 I4315 S4316 A4317 L4333 | L4216-F4265 HydrophobicContact CD1-CE1 3.88Å; L4216-F4265 HydrophobicContact CD2-CD1 4.35Å; L4216-F4265 HydrophobicContact CD2-CE1 4.04Å; M4242-F4265 HydrophobicContact CE-CD1 3.6Å; M4242-F4265 HydrophobicContact CE-CE1 3.8Å; I4244-F4265 HydrophobicContact CD1-CZ 4.47Å; W4263-F4265 HydrophobicContact CB-CD2 4.25Å; W4263-F4265 HydrophobicContact CB-CE2 3.5Å; W4263-F4265 HydrophobicContact CB-CZ 4.07Å; W4263-F4265 HydrophobicContact CG-CE2 4.45Å; F4265-T4286 CarbonylContact O-C 3.53Å; F4265-T4286 VanDerWaalsContact O-CA 3.31Å; F4265-T4286 WeakPolarHBondContact O-CA 3.44Å; F4265-L4287 HydrophobicContact CB-CB 4.29Å; F4265-L4287 PolarHBondContact N-O 3.24Å; F4265-L4287 PolarHBondContact O-N 2.99Å; F4265-F4298 HydrophobicContact CD1-CZ 4.15Å; F4265-F4298 HydrophobicContact CD2-CE1 4.33Å; F4265-F4298 HydrophobicContact CD2-CE2 4.42Å; F4265-F4298 AromaticContact CD2-CZ 3.62Å; F4265-F4298 HydrophobicContact CD2-CZ 3.62Å; F4265-F4298 HydrophobicContact CE1-CE1 4.31Å; F4265-F4298 AromaticContact CE1-CZ 3.85Å; F4265-F4298 HydrophobicContact CE1-CZ 3.85Å; F4265-F4298 AromaticContact CE2-CE1 3.55Å; F4265-F4298 HydrophobicContact CE2-CE1 3.55Å; F4265-F4298 HydrophobicContact CE2-CE2 4.4Å; F4265-F4298 AromaticContact CE2-CZ 3.27Å; F4265-F4298 HydrophobicContact CE2-CZ 3.27Å; F4265-F4298 HydrophobicContact CG-CZ 4.06Å; F4265-F4298 AromaticContact CZ-CE1 3.55Å; F4265-F4298 HydrophobicContact CZ-CE1 3.55Å; F4265-F4298 AromaticContact CZ-CZ 3.41Å; F4265-F4298 HydrophobicContact CZ-CZ 3.41Å; F4265-F4298 VanDerWaalsContact CZ-CZ 3.41Å; F4265-W4300 HydrophobicContact CB-CZ3 4.28Å; F4265-I4315 HydrophobicContact CD1-CG2 4.47Å; F4265-S4316 CarbonylContact C-O 3.54Å; F4265-S4316 WeakPolarHBondContact CA-O 3.4Å; F4265-A4317 HydrophobicContact CD1-CB 3.46Å; F4265-A4317 VanDerWaalsContact CD1-CB 3.46Å; F4265-A4317 HydrophobicContact CE1-CB 3.36Å; F4265-A4317 HydrophobicContact CE2-CB 4.5Å; F4265-A4317 HydrophobicContact CG-CB 4.09Å; F4265-A4317 HydrophobicContact CZ-CB 3.91Å; F4265-L4333 HydrophobicContact CE1-CD1 4.46Å |
| 4266 | T | 91.1 | Very high | 84.4 | Confident | 40 Ų | 40 | 42 Ų | 42 | 25% | 0.245 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 135.4 | 174.3 | -56 | 0 | 0 | 0 | 0 | 109.1 | P4284 S4285 T4286 I4315 S4316 | T4266-P4284 HydrophobicContact CG2-CB 4.12Å; T4266-S4285 CarbonylContact C-O 3.57Å; T4266-S4285 WeakPolarHBondContact CA-O 3.48Å; T4266-T4286 HydrophobicContact CG2-CG2 4.08Å; T4266-I4315 CarbonylContact O-C 3.51Å; T4266-I4315 VanDerWaalsContact O-CA 3.3Å; T4266-I4315 WeakPolarHBondContact O-CA 3.29Å; T4266-S4316 PolarHBondContact N-O 3.38Å; T4266-S4316 PolarHBondContact O-N 2.77Å |
| 4267 | G | 90.9 | Very high | 84.6 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 129.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111 | P4284 S4285 Y4313 C4314 | G4267-P4284 CarbonylContact O-C 3.51Å; G4267-S4285 PolarHBondContact N-O 3.45Å; G4267-S4285 PolarHBondContact O-N 2.79Å; G4267-Y4313 VanDerWaalsContact C-CZ 3.43Å; G4267-Y4313 PolarHBondContact O-OH 3.47Å; G4267-C4314 VanDerWaalsContact CA-O 3.27Å; G4267-C4314 WeakPolarHBondContact CA-O 3.41Å |
| 4268 | D | 90.5 | Very high | 84.9 | Confident | 65 Ų | 65 | 56.6 Ų | 56.6 | 35% | 0.348 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 168.3 | 175.6 | -165.3 | 6.9 | 0 | 0 | 0 | 110 | C4270 P4284 Y4313 C4314 | D4268-C4270 PolarHBondContact O-N 2.91Å; D4268-P4284 HydrophobicContact CB-CB 4.08Å; D4268-P4284 HydrophobicContact CB-CG 4.32Å; D4268-Y4313 VanDerWaalsContact C-CD2 3.48Å; D4268-Y4313 VanDerWaalsContact C-CE2 3.48Å; D4268-Y4313 CarbonylContact O-C 3.58Å; D4268-Y4313 WeakPolarHBondContact O-CA 3.39Å; D4268-Y4313 WeakPolarHBondContact O-CD2 3.47Å; D4268-C4314 PolarHBondContact N-O 2.82Å; D4268-C4314 VanDerWaalsContact N-O 3.09Å; D4268-C4314 PolarHBondContact O-N 2.85Å |
| 4269 | I | 89.4 | Confident | 85.3 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.2 | 129.4 | 164.6 | -66 | 173.7 | 0 | 0 | 0 | 108.2 | F4279 F4305 Y4311 T4312 Y4313 | I4269-F4279 HydrophobicContact CD1-CE1 3.62Å; I4269-F4279 HydrophobicContact CD1-CE2 3.56Å; I4269-F4279 HydrophobicContact CD1-CZ 3.06Å; I4269-F4279 HydrophobicContact CG1-CZ 4.41Å; I4269-F4305 HydrophobicContact CD1-CD1 4.49Å; I4269-F4305 HydrophobicContact CD1-CE1 3.91Å; I4269-F4305 HydrophobicContact CG1-CE1 3.96Å; I4269-Y4311 HydrophobicContact CD1-CD1 3.57Å; I4269-Y4311 HydrophobicContact CD1-CE1 3.85Å; I4269-Y4311 HydrophobicContact CG1-CD1 4.19Å; I4269-T4312 WeakPolarHBondContact CA-O 3.35Å; I4269-Y4313 HydrophobicContact CG1-CD2 4.42Å |
| 4270 | C | 90.5 | Very high | 85.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -53.2 | 126.7 | 178.1 | -66.2 | 0 | 0 | 0 | 0 | 109.3 | D4268 N4272 S4273 T4312 Y4313 C4314 E4375 | D4268-C4270 PolarHBondContact O-N 2.91Å; C4270-N4272 PolarHBondContact O-N 3.29Å; C4270-S4273 WeakPolarHBondContact CB-OG 3.39Å; C4270-S4273 VanDerWaalsContact O-CB 3.32Å; C4270-S4273 WeakPolarHBondContact O-CB 3.4Å; C4270-S4273 PolarHBondContact O-N 2.86Å; C4270-S4273 PolarHBondContact O-OG 2.91Å; C4270-T4312 HydrophobicContact CB-CG2 4.37Å; C4270-T4312 PolarHBondContact N-O 2.84Å; C4270-Y4313 VanDerWaalsContact SG-C 3.54Å; C4270-C4314 VanDerWaalsContact CA-SG 3.54Å; C4270-C4314 HydrophobicContact CB-CB 4.05Å; C4270-C4314 WeakPolarHBondContact CB-SG 3.47Å; C4270-C4314 VanDerWaalsContact SG-CA 3.51Å; C4270-C4314 WeakPolarHBondContact SG-CB 3.28Å; C4270-C4314 PolarHBondContact SG-N 2.92Å; C4270-C4314 CovalentContact SG-SG 2.03Å; C4270-C4314 PolarHBondContact SG-SG 3.38Å; C4270-E4375 HydrophobicContact CB-CG 4.19Å | ||
| 4271 | P | 85.5 | Confident | 85.2 | Confident | 103 Ų | 103 | 54 Ų | 54 | 67% | 0.669 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -31.3 | -169 | -29.8 | 33.6 | 0 | 0 | 0 | 114.7 | ||
| 4272 | N | 86.7 | Confident | 84.8 | Confident | 64 Ų | 64 | 58.5 Ų | 58.5 | 34% | 0.342 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 7.5 | -175.2 | -64.6 | -47 | 0 | 0 | 0 | 114.3 | C4270 Y4372 G4438 | C4270-N4272 PolarHBondContact O-N 3.29Å; N4272-Y4372 HydrophobicContact CB-CD1 3.81Å; N4272-Y4372 HydrophobicContact CB-CE1 3.73Å; N4272-Y4372 WeakPolarHBondContact ND2-CE1 3.29Å; N4272-G4438 PolarHBondContact O-N 2.96Å |
| 4273 | S | 88.3 | Confident | 84.5 | Confident | 14 Ų | 14 | 63.2 Ų | 63.2 | 10% | 0.098 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -79.9 | 147.3 | -179.2 | -51.3 | 0 | 0 | 0 | 0 | 112.8 | C4270 K4275 E4375 | C4270-S4273 WeakPolarHBondContact CB-OG 3.39Å; C4270-S4273 VanDerWaalsContact O-CB 3.32Å; C4270-S4273 WeakPolarHBondContact O-CB 3.4Å; C4270-S4273 PolarHBondContact O-N 2.86Å; C4270-S4273 PolarHBondContact O-OG 2.91Å; S4273-K4275 PolarHBondContact O-N 3.32Å; S4273-E4375 WeakPolarHBondContact OG-CG 3.45Å |
| 4274 | R | 87.4 | Confident | 84.3 | Confident | 49 Ų | 49 | 66.3 Ų | 66.3 | 19% | 0.185 | 36% | 0.355 | C | S | . | . | trans | -64 | 126 | 166.8 | -170.8 | -173.3 | -177.5 | -171.7 | 1.7 | 110.2 | W4309 A4379 E4383 S4436 | R4274-W4309 HydrophobicContact CG-CZ2 4.14Å; R4274-W4309 PolarHBondContact O-NE1 3.47Å; R4274-A4379 HydrophobicContact CB-CB 4.02Å; R4274-A4379 PolarHBondContact NH1-O 2.92Å; R4274-E4383 IonicContact CZ-OE2 3.28Å; R4274-E4383 VanDerWaalsContact CZ-OE2 3.27Å; R4274-E4383 IonicContact NH1-OE2 3.22Å; R4274-E4383 PolarHBondContact NH1-OE2 3.08Å; R4274-E4383 IonicContact NH2-OE2 2.79Å; R4274-E4383 PolarHBondContact NH2-OE2 3.44Å; R4274-S4436 WeakPolarHBondContact CB-O 3.45Å | ||
| 4275 | K | 85 | Confident | 84.3 | Confident | 101 Ų | 101 | 63.5 Ų | 63.5 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | trans | -107.5 | 149.9 | 177.2 | -65.3 | 170.3 | -175.1 | 169.5 | 0 | 110.9 | S4273 F4279 | S4273-K4275 PolarHBondContact O-N 3.32Å; K4275-F4279 HydrophobicContact CB-CB 4.21Å; K4275-F4279 HydrophobicContact CB-CG 4.41Å; K4275-F4279 HydrophobicContact CD-CD1 4.17Å | ||
| 4276 | P | 84.9 | Confident | 84.2 | Confident | 11 Ų | 11 | 67.7 Ų | 67.7 | 7% | 0.071 | 37% | 0.373 | C | S | . | . | trans | -64.8 | 151.2 | 172.3 | 22.9 | -27.8 | 0 | 0 | 0 | 111.1 | N4278 F4279 I4307 W4309 Y4311 | P4276-N4278 PolarHBondContact O-N 3.37Å; P4276-N4278 VanDerWaalsContact O-N 3.07Å; P4276-F4279 HydrophobicContact CG-CB 3.99Å; P4276-F4279 HydrophobicContact CG-CD2 3.91Å; P4276-F4279 HydrophobicContact CG-CG 4.38Å; P4276-F4279 WeakPolarHBondContact O-CB 3.4Å; P4276-F4279 PolarHBondContact O-N 3.12Å; P4276-F4279 VanDerWaalsContact O-N 3.1Å; P4276-I4307 HydrophobicContact CB-CD1 4.21Å; P4276-I4307 HydrophobicContact CB-CG2 3.92Å; P4276-I4307 HydrophobicContact CG-CB 4.22Å; P4276-I4307 HydrophobicContact CG-CD1 3.91Å; P4276-I4307 HydrophobicContact CG-CG2 3.99Å; P4276-W4309 HydrophobicContact CB-CD2 3.98Å; P4276-W4309 HydrophobicContact CB-CE3 3.87Å; P4276-W4309 HydrophobicContact CB-CZ3 4.14Å; P4276-W4309 HydrophobicContact CG-CD2 4.17Å; P4276-W4309 HydrophobicContact CG-CE3 4.49Å; P4276-W4309 HydrophobicContact CG-CG 4.21Å; P4276-Y4311 HydrophobicContact CG-CE1 4.42Å | ||
| 4277 | K | 79 | Confident | 84.1 | Confident | 214 Ų | 214 | 68.3 Ų | 68.3 | 93% | 0.93 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -31.1 | -172.9 | -75.3 | -176.1 | 177.5 | 179.1 | 0 | 114.5 | ||
| 4278 | N | 78.2 | Confident | 83.9 | Confident | 140 Ų | 140 | 73.3 Ų | 73.3 | 75% | 0.749 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | 33.5 | -178.4 | -63.1 | -12.5 | 0 | 0 | 0 | 112.6 | P4276 P4280 I4307 | P4276-N4278 PolarHBondContact O-N 3.37Å; P4276-N4278 VanDerWaalsContact O-N 3.07Å; N4278-P4280 WeakPolarHBondContact O-CD 3.46Å; N4278-I4307 WeakPolarHBondContact O-CD1 3.04Å |
| 4279 | F | 78.7 | Confident | 83.6 | Confident | 48 Ų | 48 | 71.3 Ų | 71.3 | 21% | 0.211 | 39% | 0.388 | C | S | . | . | trans | -67.3 | 124 | -176.9 | -172.2 | -102.8 | 0 | 0 | 0 | 112.6 | I4269 K4275 P4276 F4305 Y4311 | I4269-F4279 HydrophobicContact CD1-CE1 3.62Å; I4269-F4279 HydrophobicContact CD1-CE2 3.56Å; I4269-F4279 HydrophobicContact CD1-CZ 3.06Å; I4269-F4279 HydrophobicContact CG1-CZ 4.41Å; K4275-F4279 HydrophobicContact CB-CB 4.21Å; K4275-F4279 HydrophobicContact CB-CG 4.41Å; K4275-F4279 HydrophobicContact CD-CD1 4.17Å; P4276-F4279 HydrophobicContact CG-CB 3.99Å; P4276-F4279 HydrophobicContact CG-CD2 3.91Å; P4276-F4279 HydrophobicContact CG-CG 4.38Å; P4276-F4279 WeakPolarHBondContact O-CB 3.4Å; P4276-F4279 PolarHBondContact O-N 3.12Å; P4276-F4279 VanDerWaalsContact O-N 3.1Å; F4279-F4305 HydrophobicContact CE2-CD1 4.3Å; F4279-Y4311 AromaticContact CD2-CE1 3.86Å; F4279-Y4311 HydrophobicContact CD2-CE1 3.86Å; F4279-Y4311 AromaticContact CE2-CE1 3.56Å; F4279-Y4311 HydrophobicContact CE2-CE1 3.56Å; F4279-Y4311 AromaticContact CE2-CZ 3.97Å; F4279-Y4311 HydrophobicContact CZ-CE1 4.49Å | ||
| 4280 | P | 74.7 | Confident | 83.2 | Confident | 39 Ų | 39 | 74.4 Ų | 74.4 | 25% | 0.253 | 41% | 0.405 | S | S | . | . | trans | -69.6 | 133.8 | 174.2 | -5.1 | 17.6 | 0 | 0 | 0 | 111.5 | N4278 N4282 | N4278-P4280 WeakPolarHBondContact O-CD 3.46Å; P4280-N4282 PolarHBondContact O-N 3.1Å; P4280-N4282 VanDerWaalsContact O-N 3.13Å | ||
| 4281 | T | 71.5 | Confident | 82.3 | Confident | 137 Ų | 137 | 74.7 Ų | 74.7 | 84% | 0.84 | 41% | 0.407 | S | S | * | . | trans | -76.7 | 96.6 | 171.5 | 49 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 4282 | N | 73.8 | Confident | 81.5 | Confident | 97 Ų | 97 | 72.6 Ų | 72.6 | 52% | 0.519 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -91.7 | 147.8 | 170.7 | -68.4 | -21 | 0 | 0 | 0 | 110.5 | P4280 | P4280-N4282 PolarHBondContact O-N 3.1Å; P4280-N4282 VanDerWaalsContact O-N 3.13Å |
| 4283 | P | 79.4 | Confident | 80.1 | Confident | 109 Ų | 109 | 76.6 Ų | 76.6 | 71% | 0.708 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 152.3 | 173 | 27.3 | -33.2 | 0 | 0 | 0 | 111.6 | ||
| 4284 | P | 84.8 | Confident | 78.5 | Confident | 66 Ų | 66 | 79.7 Ų | 79.7 | 43% | 0.429 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 141.9 | 174.5 | -25 | 33.8 | 0 | 0 | 0 | 112.3 | T4266 G4267 D4268 | T4266-P4284 HydrophobicContact CG2-CB 4.12Å; G4267-P4284 CarbonylContact O-C 3.51Å; D4268-P4284 HydrophobicContact CB-CB 4.08Å; D4268-P4284 HydrophobicContact CB-CG 4.32Å |
| 4285 | S | 89.4 | Confident | 77.1 | Confident | 32 Ų | 32 | 83.8 Ų | 83.8 | 22% | 0.224 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 134.5 | 170 | -58.4 | 0 | 0 | 0 | 0 | 109.1 | T4266 G4267 W4300 Y4313 | T4266-S4285 CarbonylContact C-O 3.57Å; T4266-S4285 WeakPolarHBondContact CA-O 3.48Å; G4267-S4285 PolarHBondContact N-O 3.45Å; G4267-S4285 PolarHBondContact O-N 2.79Å; S4285-W4300 VanDerWaalsContact C-CZ2 3.49Å; S4285-W4300 VanDerWaalsContact CB-CZ2 3.42Å; S4285-W4300 WeakPolarHBondContact O-CH2 3.49Å; S4285-W4300 WeakPolarHBondContact O-CZ2 3.24Å; S4285-Y4313 WeakPolarHBondContact CB-OH 3.39Å; S4285-Y4313 PolarHBondContact OG-OH 3.34Å |
| 4286 | T | 89.5 | Confident | 76.3 | Confident | 88 Ų | 88 | 80.1 Ų | 80.1 | 54% | 0.54 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 149.9 | 176.1 | 58.2 | 0 | 0 | 0 | 0 | 111.3 | F4265 T4266 | F4265-T4286 CarbonylContact O-C 3.53Å; F4265-T4286 VanDerWaalsContact O-CA 3.31Å; F4265-T4286 WeakPolarHBondContact O-CA 3.44Å; T4266-T4286 HydrophobicContact CG2-CG2 4.08Å |
| 4287 | L | 89.2 | Confident | 75.9 | Confident | 53 Ų | 53 | 81.9 Ų | 81.9 | 28% | 0.277 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 126.7 | 175.7 | 176.8 | 72.9 | 0 | 0 | 0 | 109.6 | F4265 F4298 W4300 | F4265-L4287 HydrophobicContact CB-CB 4.29Å; F4265-L4287 PolarHBondContact N-O 3.24Å; F4265-L4287 PolarHBondContact O-N 2.99Å; L4287-F4298 HydrophobicContact CD2-CD2 3.68Å; L4287-F4298 HydrophobicContact CD2-CE2 3.24Å; L4287-F4298 HydrophobicContact CD2-CZ 4.12Å; L4287-W4300 HydrophobicContact CB-CD2 4.38Å; L4287-W4300 HydrophobicContact CB-CZ2 4.25Å; L4287-W4300 HydrophobicContact CD2-CB 4.25Å; L4287-W4300 HydrophobicContact CD2-CD2 4.45Å; L4287-W4300 HydrophobicContact CD2-CG 4.05Å |
| 4288 | L | 86.1 | Confident | 76.2 | Confident | 105 Ų | 105 | 72.6 Ų | 72.6 | 55% | 0.55 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 123 | 169.1 | -170.8 | 71.1 | 0 | 0 | 0 | 108.4 | I4262 K4264 | I4262-L4288 HydrophobicContact CG2-CD1 3.85Å; I4262-L4288 HydrophobicContact CG2-CG 4.09Å; K4264-L4288 HydrophobicContact CB-CD1 3.95Å; K4264-L4288 HydrophobicContact CG-CD1 4.39Å |
| 4289 | Y | 84.4 | Confident | 76.7 | Confident | 23 Ų | 23 | 71 Ų | 71 | 9% | 0.09 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 111.9 | -175.8 | -173.6 | -112.5 | 0 | 0 | 0 | 110.7 | I4256 W4263 T4294 N4295 F4298 | I4256-Y4289 HydrophobicContact CD1-CD1 4.29Å; I4256-Y4289 HydrophobicContact CD1-CE1 3.77Å; W4263-Y4289 PolarHBondContact N-O 3.25Å; W4263-Y4289 PolarHBondContact O-N 2.95Å; Y4289-T4294 PolarHBondContact OH-OG1 3.26Å; Y4289-N4295 PolarHBondContact OH-O 3.27Å; Y4289-N4295 VanDerWaalsContact OH-O 3.06Å; Y4289-F4298 AromaticContact CD1-CD1 3.66Å; Y4289-F4298 HydrophobicContact CD1-CD1 3.66Å; Y4289-F4298 AromaticContact CD1-CE1 3.75Å; Y4289-F4298 HydrophobicContact CD1-CE1 3.75Å; Y4289-F4298 HydrophobicContact CD1-CG 4.47Å; Y4289-F4298 HydrophobicContact CD2-CB 4.17Å; Y4289-F4298 AromaticContact CD2-CD1 3.88Å; Y4289-F4298 HydrophobicContact CD2-CD1 3.88Å; Y4289-F4298 HydrophobicContact CD2-CD2 4.38Å; Y4289-F4298 HydrophobicContact CD2-CE1 4.38Å; Y4289-F4298 AromaticContact CD2-CG 3.87Å; Y4289-F4298 HydrophobicContact CD2-CG 3.87Å; Y4289-F4298 AromaticContact CE1-CD1 3.5Å; Y4289-F4298 HydrophobicContact CE1-CD1 3.5Å; Y4289-F4298 VanDerWaalsContact CE1-CD1 3.5Å; Y4289-F4298 HydrophobicContact CE1-CE1 4.03Å; Y4289-F4298 HydrophobicContact CE1-CG 4.3Å; Y4289-F4298 HydrophobicContact CE2-CB 3.57Å; Y4289-F4298 AromaticContact CE2-CD1 3.78Å; Y4289-F4298 HydrophobicContact CE2-CD1 3.78Å; Y4289-F4298 AromaticContact CE2-CG 3.73Å; Y4289-F4298 HydrophobicContact CE2-CG 3.73Å; Y4289-F4298 AromaticContact CG-CD1 3.84Å; Y4289-F4298 HydrophobicContact CG-CD1 3.84Å; Y4289-F4298 AromaticContact CG-CE1 3.94Å; Y4289-F4298 HydrophobicContact CG-CE1 3.94Å; Y4289-F4298 HydrophobicContact CG-CG 4.26Å; Y4289-F4298 HydrophobicContact CG-CZ 4.47Å; Y4289-F4298 AromaticContact CZ-CD1 3.59Å; Y4289-F4298 AromaticContact CZ-CG 3.96Å |
| 4290 | D | 79.8 | Confident | 77.2 | Confident | 70 Ų | 70 | 69.7 Ų | 69.7 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 120.9 | 167.2 | 174.6 | 12.7 | 0 | 0 | 0 | 108.5 | I4262 S4292 | I4262-D4290 HydrophobicContact CD1-CB 4.43Å; I4262-D4290 HydrophobicContact CG1-CB 4.32Å; D4290-S4292 VanDerWaalsContact C-N 3.32Å; D4290-S4292 VanDerWaalsContact CG-OG 3.23Å; D4290-S4292 WeakPolarHBondContact OD1-CB 3.49Å; D4290-S4292 PolarHBondContact OD1-N 3.1Å; D4290-S4292 PolarHBondContact OD1-OG 2.99Å; D4290-S4292 PolarHBondContact OD2-OG 3.06Å |
| 4291 | S | 71.8 | Confident | 77.9 | Confident | 6 Ų | 6 | 71.6 Ų | 71.6 | 4% | 0.042 | 41% | 0.412 | C | S | . | . | trans | -94 | 19 | -178 | 82.8 | 0 | 0 | 0 | 0 | 113.3 | I4256 N4257 N4293 | I4256-S4291 VanDerWaalsContact CG1-OG 3.28Å; I4256-S4291 WeakPolarHBondContact CG1-OG 3.32Å; N4257-S4291 WeakPolarHBondContact CB-OG 3.36Å; S4291-N4293 PolarHBondContact O-N 3.48Å; S4291-N4293 VanDerWaalsContact O-N 3.15Å | ||
| 4292 | S | 69.5 | Low | 78.8 | Confident | 58 Ų | 58 | 65.2 Ų | 65.2 | 41% | 0.406 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -54.9 | -27.4 | 177 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | D4290 | D4290-S4292 VanDerWaalsContact C-N 3.32Å; D4290-S4292 VanDerWaalsContact CG-OG 3.23Å; D4290-S4292 WeakPolarHBondContact OD1-CB 3.49Å; D4290-S4292 PolarHBondContact OD1-N 3.1Å; D4290-S4292 PolarHBondContact OD1-OG 2.99Å; D4290-S4292 PolarHBondContact OD2-OG 3.06Å |
| 4293 | N | 57 | Low | 79.4 | Confident | 148 Ų | 148 | 66.8 Ų | 66.8 | 79% | 0.791 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -126.3 | 3.9 | -171.4 | -69 | -37.5 | 0 | 0 | 0 | 116.4 | S4291 | S4291-N4293 PolarHBondContact O-N 3.48Å; S4291-N4293 VanDerWaalsContact O-N 3.15Å |
| 4294 | T | 53.8 | Low | 79.7 | Confident | 80 Ų | 80 | 62.5 Ų | 62.5 | 49% | 0.491 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -144.9 | 153.1 | -171.9 | 48.4 | 0 | 0 | 0 | 0 | 114.5 | Y4289 | Y4289-T4294 PolarHBondContact OH-OG1 3.26Š|
| 4295 | N | 59.5 | Low | 79.9 | Confident | 135 Ų | 135 | 60.2 Ų | 60.2 | 72% | 0.722 | 34% | 0.34 | S | S | * | . | trans | -55.8 | 161.7 | 176 | -76.8 | -15 | 0 | 0 | 0 | 112.9 | Y4289 S4297 | Y4289-N4295 PolarHBondContact OH-O 3.27Å; Y4289-N4295 VanDerWaalsContact OH-O 3.06Å; N4295-S4297 PolarHBondContact O-N 3.01Å | ||
| 4296 | N | 66.9 | Low | 79.7 | Confident | 24 Ų | 24 | 64.3 Ų | 64.3 | 13% | 0.128 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -67.5 | -1.4 | -170.3 | -49.6 | -56.2 | 0 | 0 | 0 | 115.9 | N4243 V4253 E4254 I4256 | N4243-N4296 PolarHBondContact OD1-O 2.83Å; V4253-N4296 WeakPolarHBondContact O-CB 3.38Å; V4253-N4296 PolarHBondContact O-ND2 2.79Å; V4253-N4296 PolarHBondContact O-OD1 2.88Å; E4254-N4296 WeakPolarHBondContact CA-ND2 3.5Å; E4254-N4296 PolarHBondContact O-ND2 2.83Å; E4254-N4296 PolarHBondContact O-OD1 3.48Å; E4254-N4296 VanDerWaalsContact O-OD1 3.09Å; I4256-N4296 HydrophobicContact CG2-CB 4.37Å |
| 4297 | S | 76.4 | Confident | 79.6 | Confident | 48 Ų | 48 | 62.3 Ų | 62.3 | 34% | 0.336 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 136.9 | 170.4 | 74.8 | 0 | 0 | 0 | 0 | 111.9 | E4241 M4242 N4295 | E4241-S4297 WeakPolarHBondContact OE1-CB 3.36Å; E4241-S4297 PolarHBondContact OE1-OG 2.78Å; M4242-S4297 VanDerWaalsContact O-CA 3.25Å; M4242-S4297 WeakPolarHBondContact O-CA 3.45Å; N4295-S4297 PolarHBondContact O-N 3.01Å |
| 4298 | F | 85.2 | Confident | 79.5 | Confident | 18 Ų | 18 | 61.3 Ų | 61.3 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 153.3 | 173.6 | 66.7 | -91 | 0 | 0 | 0 | 110.3 | E4241 M4242 F4265 L4287 Y4289 W4300 | E4241-F4298 WeakPolarHBondContact CA-O 3.48Å; M4242-F4298 HydrophobicContact CB-CD1 4.04Å; M4242-F4298 HydrophobicContact CB-CD2 4.02Å; M4242-F4298 HydrophobicContact CB-CE1 3.57Å; M4242-F4298 HydrophobicContact CB-CE2 3.5Å; M4242-F4298 VanDerWaalsContact CB-CE2 3.5Å; M4242-F4298 HydrophobicContact CB-CG 4.26Å; M4242-F4298 HydrophobicContact CB-CZ 3.26Å; M4242-F4298 HydrophobicContact CG-CD2 4.19Å; M4242-F4298 HydrophobicContact CG-CE1 4.44Å; M4242-F4298 HydrophobicContact CG-CE2 3.49Å; M4242-F4298 VanDerWaalsContact CG-CE2 3.49Å; M4242-F4298 HydrophobicContact CG-CZ 3.66Å; M4242-F4298 PolarHBondContact N-O 2.87Å; M4242-F4298 PolarHBondContact O-N 3.02Å; M4242-F4298 VanDerWaalsContact O-N 3.1Å; F4265-F4298 HydrophobicContact CD1-CZ 4.15Å; F4265-F4298 HydrophobicContact CD2-CE1 4.33Å; F4265-F4298 HydrophobicContact CD2-CE2 4.42Å; F4265-F4298 AromaticContact CD2-CZ 3.62Å; F4265-F4298 HydrophobicContact CD2-CZ 3.62Å; F4265-F4298 HydrophobicContact CE1-CE1 4.31Å; F4265-F4298 AromaticContact CE1-CZ 3.85Å; F4265-F4298 HydrophobicContact CE1-CZ 3.85Å; F4265-F4298 AromaticContact CE2-CE1 3.55Å; F4265-F4298 HydrophobicContact CE2-CE1 3.55Å; F4265-F4298 HydrophobicContact CE2-CE2 4.4Å; F4265-F4298 AromaticContact CE2-CZ 3.27Å; F4265-F4298 HydrophobicContact CE2-CZ 3.27Å; F4265-F4298 HydrophobicContact CG-CZ 4.06Å; F4265-F4298 AromaticContact CZ-CE1 3.55Å; F4265-F4298 HydrophobicContact CZ-CE1 3.55Å; F4265-F4298 AromaticContact CZ-CZ 3.41Å; F4265-F4298 HydrophobicContact CZ-CZ 3.41Å; F4265-F4298 VanDerWaalsContact CZ-CZ 3.41Å; L4287-F4298 HydrophobicContact CD2-CD2 3.68Å; L4287-F4298 HydrophobicContact CD2-CE2 3.24Å; L4287-F4298 HydrophobicContact CD2-CZ 4.12Å; Y4289-F4298 AromaticContact CD1-CD1 3.66Å; Y4289-F4298 HydrophobicContact CD1-CD1 3.66Å; Y4289-F4298 AromaticContact CD1-CE1 3.75Å; Y4289-F4298 HydrophobicContact CD1-CE1 3.75Å; Y4289-F4298 HydrophobicContact CD1-CG 4.47Å; Y4289-F4298 HydrophobicContact CD2-CB 4.17Å; Y4289-F4298 AromaticContact CD2-CD1 3.88Å; Y4289-F4298 HydrophobicContact CD2-CD1 3.88Å; Y4289-F4298 HydrophobicContact CD2-CD2 4.38Å; Y4289-F4298 HydrophobicContact CD2-CE1 4.38Å; Y4289-F4298 AromaticContact CD2-CG 3.87Å; Y4289-F4298 HydrophobicContact CD2-CG 3.87Å; Y4289-F4298 AromaticContact CE1-CD1 3.5Å; Y4289-F4298 HydrophobicContact CE1-CD1 3.5Å; Y4289-F4298 VanDerWaalsContact CE1-CD1 3.5Å; Y4289-F4298 HydrophobicContact CE1-CE1 4.03Å; Y4289-F4298 HydrophobicContact CE1-CG 4.3Å; Y4289-F4298 HydrophobicContact CE2-CB 3.57Å; Y4289-F4298 AromaticContact CE2-CD1 3.78Å; Y4289-F4298 HydrophobicContact CE2-CD1 3.78Å; Y4289-F4298 AromaticContact CE2-CG 3.73Å; Y4289-F4298 HydrophobicContact CE2-CG 3.73Å; Y4289-F4298 AromaticContact CG-CD1 3.84Å; Y4289-F4298 HydrophobicContact CG-CD1 3.84Å; Y4289-F4298 AromaticContact CG-CE1 3.94Å; Y4289-F4298 HydrophobicContact CG-CE1 3.94Å; Y4289-F4298 HydrophobicContact CG-CG 4.26Å; Y4289-F4298 HydrophobicContact CG-CZ 4.47Å; Y4289-F4298 AromaticContact CZ-CD1 3.59Å; Y4289-F4298 AromaticContact CZ-CG 3.96Å; F4298-W4300 HydrophobicContact CE2-CB 4.31Å |
| 4299 | I | 88.8 | Confident | 79.7 | Confident | 108 Ų | 108 | 57.1 Ų | 57.1 | 55% | 0.554 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.4 | 179.8 | -60.9 | 173.7 | 0 | 0 | 0 | 109 | I4221 I4240 | I4221-I4299 HydrophobicContact CD1-CB 4.39Å; I4221-I4299 HydrophobicContact CD1-CD1 3.58Å; I4221-I4299 HydrophobicContact CD1-CG1 3.66Å; I4221-I4299 HydrophobicContact CD1-CG2 3.87Å; I4240-I4299 CarbonylContact O-C 3.51Å; I4240-I4299 WeakPolarHBondContact O-CA 3.46Å |
| 4300 | W | 90 | Very high | 80 | Confident | 19 Ų | 19 | 56.1 Ų | 56.1 | 7% | 0.072 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 117.9 | 172.5 | -171.8 | 21.1 | 0 | 0 | 0 | 110.5 | S4239 I4240 M4242 F4265 S4285 L4287 F4298 I4302 I4315 | S4239-W4300 WeakPolarHBondContact CA-O 3.45Å; I4240-W4300 HydrophobicContact CD1-CE3 4.07Å; I4240-W4300 HydrophobicContact CG1-CB 4.06Å; I4240-W4300 WeakPolarHBondContact CG1-O 3.29Å; I4240-W4300 PolarHBondContact N-O 2.85Å; I4240-W4300 PolarHBondContact O-N 3.1Å; M4242-W4300 HydrophobicContact CG-CB 4.34Å; F4265-W4300 HydrophobicContact CB-CZ3 4.28Å; S4285-W4300 VanDerWaalsContact C-CZ2 3.49Å; S4285-W4300 VanDerWaalsContact CB-CZ2 3.42Å; S4285-W4300 WeakPolarHBondContact O-CH2 3.49Å; S4285-W4300 WeakPolarHBondContact O-CZ2 3.24Å; L4287-W4300 HydrophobicContact CB-CD2 4.38Å; L4287-W4300 HydrophobicContact CB-CZ2 4.25Å; L4287-W4300 HydrophobicContact CD2-CB 4.25Å; L4287-W4300 HydrophobicContact CD2-CD2 4.45Å; L4287-W4300 HydrophobicContact CD2-CG 4.05Å; F4298-W4300 HydrophobicContact CE2-CB 4.31Å; W4300-I4302 HydrophobicContact CD2-CD1 4.14Å; W4300-I4302 HydrophobicContact CD2-CG1 4.05Å; W4300-I4302 HydrophobicContact CE3-CD1 4.04Å; W4300-I4302 HydrophobicContact CE3-CG1 4.46Å; W4300-I4302 HydrophobicContact CG-CG1 4.34Å; W4300-I4302 HydrophobicContact CZ3-CD1 4.29Å; W4300-I4315 HydrophobicContact CZ3-CG1 4.33Å; W4300-I4315 HydrophobicContact CZ3-CG2 4.05Å |
| 4301 | T | 90.2 | Very high | 80.5 | Confident | 79 Ų | 79 | 52.9 Ų | 52.9 | 49% | 0.485 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 128 | 174.5 | -56.7 | 0 | 0 | 0 | 0 | 110.2 | F4238 S4239 | F4238-T4301 WeakPolarHBondContact O-CA 3.41Å; S4239-T4301 PolarHBondContact OG-OG1 3.41Å |
| 4302 | I | 89.3 | Confident | 81.5 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 141.8 | -178.1 | -61.4 | 164.6 | 0 | 0 | 0 | 108.5 | S4237 F4238 I4240 W4300 Y4313 | S4237-I4302 WeakPolarHBondContact CA-O 3.45Å; S4237-I4302 WeakPolarHBondContact CB-O 3.31Å; F4238-I4302 HydrophobicContact CD2-CB 4.46Å; F4238-I4302 HydrophobicContact CE1-CB 3.9Å; F4238-I4302 HydrophobicContact CE1-CG2 3.75Å; F4238-I4302 HydrophobicContact CE2-CB 3.89Å; F4238-I4302 HydrophobicContact CE2-CD1 3.8Å; F4238-I4302 HydrophobicContact CE2-CG1 4.38Å; F4238-I4302 HydrophobicContact CE2-CG2 4.33Å; F4238-I4302 HydrophobicContact CZ-CB 3.57Å; F4238-I4302 HydrophobicContact CZ-CD1 3.96Å; F4238-I4302 HydrophobicContact CZ-CG1 4.37Å; F4238-I4302 HydrophobicContact CZ-CG2 3.52Å; F4238-I4302 PolarHBondContact N-O 3.38Å; F4238-I4302 PolarHBondContact O-N 3.41Å; I4240-I4302 HydrophobicContact CD1-CD1 3.77Å; I4240-I4302 HydrophobicContact CG1-CD1 4.31Å; W4300-I4302 HydrophobicContact CD2-CD1 4.14Å; W4300-I4302 HydrophobicContact CD2-CG1 4.05Å; W4300-I4302 HydrophobicContact CE3-CD1 4.04Å; W4300-I4302 HydrophobicContact CE3-CG1 4.46Å; W4300-I4302 HydrophobicContact CG-CG1 4.34Å; W4300-I4302 HydrophobicContact CZ3-CD1 4.29Å; I4302-Y4313 HydrophobicContact CD1-CD1 4.49Å; I4302-Y4313 HydrophobicContact CD1-CE1 3.67Å; I4302-Y4313 HydrophobicContact CG2-CE2 4.46Å; I4302-Y4313 WeakPolarHBondContact CG2-OH 3.31Å |
| 4303 | N | 87.1 | Confident | 82.5 | Confident | 130 Ų | 130 | 50.2 Ų | 50.2 | 70% | 0.695 | 28% | 0.275 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 144.9 | 179.5 | -70.5 | -23.3 | 0 | 0 | 0 | 111.7 | ||
| 4304 | G | 85.4 | Confident | 84.2 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 19% | 0.186 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 172.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q4236 | Q4236-G4304 WeakPolarHBondContact O-CA 3.43Š|
| 4305 | F | 88.2 | Confident | 86 | Confident | 18 Ų | 18 | 40.3 Ų | 40.3 | 8% | 0.079 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -103.2 | 142.8 | 179.5 | -58.4 | -87.4 | 0 | 0 | 0 | 111.8 | N4235 F4238 I4269 F4279 Y4311 Y4313 I4340 V4342 | N4235-F4305 PolarHBondContact N-O 3.07Å; F4238-F4305 AromaticContact CE1-CE2 3.78Å; F4238-F4305 HydrophobicContact CE1-CE2 3.78Å; F4238-F4305 HydrophobicContact CE1-CZ 4.46Å; F4238-F4305 HydrophobicContact CZ-CE2 4.39Å; I4269-F4305 HydrophobicContact CD1-CD1 4.49Å; I4269-F4305 HydrophobicContact CD1-CE1 3.91Å; I4269-F4305 HydrophobicContact CG1-CE1 3.96Å; F4279-F4305 HydrophobicContact CE2-CD1 4.3Å; F4305-Y4311 HydrophobicContact CB-CD2 4.27Å; F4305-Y4311 HydrophobicContact CB-CE2 3.54Å; F4305-Y4311 HydrophobicContact CD1-CD1 4.29Å; F4305-Y4311 AromaticContact CD1-CD2 3.91Å; F4305-Y4311 HydrophobicContact CD1-CD2 3.91Å; F4305-Y4311 HydrophobicContact CD1-CE1 4.11Å; F4305-Y4311 AromaticContact CD1-CE2 3.71Å; F4305-Y4311 HydrophobicContact CD1-CE2 3.71Å; F4305-Y4311 HydrophobicContact CD1-CG 4.19Å; F4305-Y4311 AromaticContact CD1-CZ 3.8Å; F4305-Y4311 AromaticContact CD2-CD2 3.94Å; F4305-Y4311 HydrophobicContact CD2-CD2 3.94Å; F4305-Y4311 HydrophobicContact CD2-CE2 4.09Å; F4305-Y4311 HydrophobicContact CE1-CD1 4.31Å; F4305-Y4311 HydrophobicContact CE1-CD2 4.25Å; F4305-Y4311 HydrophobicContact CE1-CE2 4.47Å; F4305-Y4311 HydrophobicContact CE1-CG 4.16Å; F4305-Y4311 HydrophobicContact CE2-CD2 4.28Å; F4305-Y4311 AromaticContact CG-CD2 3.75Å; F4305-Y4311 HydrophobicContact CG-CD2 3.75Å; F4305-Y4311 AromaticContact CG-CE2 3.49Å; F4305-Y4311 HydrophobicContact CG-CE2 3.49Å; F4305-Y4311 VanDerWaalsContact CG-CE2 3.49Å; F4305-Y4311 HydrophobicContact CG-CG 4.46Å; F4305-Y4311 HydrophobicContact CZ-CD2 4.42Å; F4305-Y4311 HydrophobicContact CZ-CG 4.4Å; F4305-Y4313 AromaticContact CZ-CD2 4Å; F4305-Y4313 HydrophobicContact CZ-CD2 4Å; F4305-Y4313 HydrophobicContact CZ-CE2 4.26Å; F4305-I4340 HydrophobicContact CD2-CG2 4.18Å; F4305-I4340 HydrophobicContact CE2-CB 4.33Å; F4305-I4340 HydrophobicContact CE2-CD1 3.67Å; F4305-I4340 HydrophobicContact CE2-CG2 3.87Å; F4305-I4340 HydrophobicContact CZ-CD1 4Å; F4305-V4342 HydrophobicContact CB-CG1 4.27Å; F4305-V4342 HydrophobicContact CB-CG2 3.97Å; F4305-V4342 HydrophobicContact CD2-CG2 3.76Å; F4305-V4342 HydrophobicContact CG-CG2 4.15Å |
| 4306 | Q | 85.2 | Confident | 87.4 | Confident | 118 Ų | 118 | 35.6 Ų | 35.6 | 55% | 0.551 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -82.5 | -12.9 | -175.5 | -63.8 | -175.9 | -27.5 | 0 | 0 | 114.5 | V4234 N4235 | V4234-Q4306 VanDerWaalsContact CG1-O 3.24Å; V4234-Q4306 WeakPolarHBondContact CG1-O 3.31Å; N4235-Q4306 WeakPolarHBondContact OD1-CA 3.32Å; N4235-Q4306 WeakPolarHBondContact OD1-CG 3.28Å |
| 4307 | I | 87.1 | Confident | 88.5 | Confident | 46 Ų | 46 | 34.4 Ų | 34.4 | 24% | 0.236 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -124.6 | 135.4 | -173.2 | -59.1 | 172.6 | 0 | 0 | 0 | 108.8 | P4276 N4278 W4309 Y4311 V4342 | P4276-I4307 HydrophobicContact CB-CD1 4.21Å; P4276-I4307 HydrophobicContact CB-CG2 3.92Å; P4276-I4307 HydrophobicContact CG-CB 4.22Å; P4276-I4307 HydrophobicContact CG-CD1 3.91Å; P4276-I4307 HydrophobicContact CG-CG2 3.99Å; N4278-I4307 WeakPolarHBondContact O-CD1 3.04Å; I4307-W4309 PolarHBondContact O-N 3.36Å; I4307-Y4311 PolarHBondContact O-OH 2.87Å; I4307-V4342 WeakPolarHBondContact O-CG1 3.32Å |
| 4308 | S | 87.2 | Confident | 89.1 | Confident | 33 Ų | 33 | 33.9 Ų | 33.9 | 23% | 0.231 | 19% | 0.185 | C | C | . | . | trans | -66.6 | 118.5 | 172.5 | 178.6 | 0 | 0 | 0 | 0 | 109.9 | V4342 P4344 | S4308-V4342 CarbonylContact C-O 3.55Å; S4308-V4342 WeakPolarHBondContact CA-O 3.31Å; S4308-V4342 VanDerWaalsContact CB-O 3.31Å; S4308-V4342 WeakPolarHBondContact CB-O 3.43Å; S4308-V4342 PolarHBondContact OG-O 2.94Å; S4308-P4344 WeakPolarHBondContact OG-CD 3.31Å | ||
| 4309 | W | 90.3 | Very high | 89.3 | Confident | 16 Ų | 16 | 33 Ų | 33 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.8 | 169.1 | -171.4 | -154.6 | -107.6 | 0 | 0 | 0 | 110.6 | R4274 P4276 I4307 Y4311 V4342 S4382 M4386 | R4274-W4309 HydrophobicContact CG-CZ2 4.14Å; R4274-W4309 PolarHBondContact O-NE1 3.47Å; P4276-W4309 HydrophobicContact CB-CD2 3.98Å; P4276-W4309 HydrophobicContact CB-CE3 3.87Å; P4276-W4309 HydrophobicContact CB-CZ3 4.14Å; P4276-W4309 HydrophobicContact CG-CD2 4.17Å; P4276-W4309 HydrophobicContact CG-CE3 4.49Å; P4276-W4309 HydrophobicContact CG-CG 4.21Å; I4307-W4309 PolarHBondContact O-N 3.36Å; W4309-Y4311 HydrophobicContact CB-CD2 4.15Å; W4309-Y4311 HydrophobicContact CB-CE1 4.24Å; W4309-Y4311 HydrophobicContact CB-CE2 3.56Å; W4309-Y4311 AromaticContact CD1-CE1 3.95Å; W4309-Y4311 HydrophobicContact CG-CE1 4.35Å; W4309-Y4311 HydrophobicContact CG-CE2 4.43Å; W4309-V4342 PolarHBondContact N-O 3.08Å; W4309-V4342 WeakPolarHBondContact O-CB 3.38Å; W4309-V4342 PolarHBondContact O-N 2.85Å; W4309-S4382 PolarHBondContact NE1-OG 3.45Å; W4309-M4386 HydrophobicContact CH2-CE 3.84Å; W4309-M4386 HydrophobicContact CH2-SD 3.97Å; W4309-M4386 HydrophobicContact CZ3-CE 4Å; W4309-M4386 HydrophobicContact CZ3-CG 4.07Å; W4309-M4386 HydrophobicContact CZ3-SD 3.52Å; W4309-M4386 VanDerWaalsContact CZ3-SD 3.52Å |
| 4310 | V | 91.2 | Very high | 89.1 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 110.9 | 166.8 | -170.1 | 0 | 0 | 0 | 0 | 108.7 | I4340 Y4341 A4378 Q4381 S4382 L4385 | V4310-I4340 CarbonylContact C-O 3.51Å; V4310-I4340 WeakPolarHBondContact CA-O 3.45Å; V4310-Y4341 HydrophobicContact CB-CD1 4.43Å; V4310-Y4341 HydrophobicContact CG1-CD1 4.11Å; V4310-Y4341 HydrophobicContact CG1-CD2 3.97Å; V4310-Y4341 HydrophobicContact CG1-CE1 4.07Å; V4310-Y4341 HydrophobicContact CG1-CE2 3.93Å; V4310-Y4341 HydrophobicContact CG1-CG 4.09Å; V4310-Y4341 HydrophobicContact CG2-CD1 3.45Å; V4310-Y4341 VanDerWaalsContact CG2-CD1 3.45Å; V4310-Y4341 HydrophobicContact CG2-CE1 3.69Å; V4310-Y4341 HydrophobicContact CG2-CG 4.05Å; V4310-A4378 HydrophobicContact CB-CB 4.44Å; V4310-A4378 HydrophobicContact CG1-CB 3.99Å; V4310-Q4381 HydrophobicContact CB-CB 4.33Å; V4310-Q4381 HydrophobicContact CG1-CB 4.42Å; V4310-Q4381 HydrophobicContact CG2-CB 3.94Å; V4310-S4382 WeakPolarHBondContact CB-OG 3.28Å; V4310-S4382 PolarHBondContact N-OG 2.99Å; V4310-S4382 VanDerWaalsContact N-OG 3.1Å; V4310-S4382 PolarHBondContact O-OG 3.33Å; V4310-L4385 HydrophobicContact CG2-CD2 4.33Å |
| 4311 | Y | 91.4 | Very high | 88.8 | Confident | 2 Ų | 2 | 31.9 Ų | 31.9 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 151 | -179.3 | -60.2 | -83.9 | 0 | 0 | 0 | 111.4 | I4269 P4276 F4279 F4305 I4307 W4309 R4339 I4340 V4342 | I4269-Y4311 HydrophobicContact CD1-CD1 3.57Å; I4269-Y4311 HydrophobicContact CD1-CE1 3.85Å; I4269-Y4311 HydrophobicContact CG1-CD1 4.19Å; P4276-Y4311 HydrophobicContact CG-CE1 4.42Å; F4279-Y4311 AromaticContact CD2-CE1 3.86Å; F4279-Y4311 HydrophobicContact CD2-CE1 3.86Å; F4279-Y4311 AromaticContact CE2-CE1 3.56Å; F4279-Y4311 HydrophobicContact CE2-CE1 3.56Å; F4279-Y4311 AromaticContact CE2-CZ 3.97Å; F4279-Y4311 HydrophobicContact CZ-CE1 4.49Å; F4305-Y4311 HydrophobicContact CB-CD2 4.27Å; F4305-Y4311 HydrophobicContact CB-CE2 3.54Å; F4305-Y4311 HydrophobicContact CD1-CD1 4.29Å; F4305-Y4311 AromaticContact CD1-CD2 3.91Å; F4305-Y4311 HydrophobicContact CD1-CD2 3.91Å; F4305-Y4311 HydrophobicContact CD1-CE1 4.11Å; F4305-Y4311 AromaticContact CD1-CE2 3.71Å; F4305-Y4311 HydrophobicContact CD1-CE2 3.71Å; F4305-Y4311 HydrophobicContact CD1-CG 4.19Å; F4305-Y4311 AromaticContact CD1-CZ 3.8Å; F4305-Y4311 AromaticContact CD2-CD2 3.94Å; F4305-Y4311 HydrophobicContact CD2-CD2 3.94Å; F4305-Y4311 HydrophobicContact CD2-CE2 4.09Å; F4305-Y4311 HydrophobicContact CE1-CD1 4.31Å; F4305-Y4311 HydrophobicContact CE1-CD2 4.25Å; F4305-Y4311 HydrophobicContact CE1-CE2 4.47Å; F4305-Y4311 HydrophobicContact CE1-CG 4.16Å; F4305-Y4311 HydrophobicContact CE2-CD2 4.28Å; F4305-Y4311 AromaticContact CG-CD2 3.75Å; F4305-Y4311 HydrophobicContact CG-CD2 3.75Å; F4305-Y4311 AromaticContact CG-CE2 3.49Å; F4305-Y4311 HydrophobicContact CG-CE2 3.49Å; F4305-Y4311 VanDerWaalsContact CG-CE2 3.49Å; F4305-Y4311 HydrophobicContact CG-CG 4.46Å; F4305-Y4311 HydrophobicContact CZ-CD2 4.42Å; F4305-Y4311 HydrophobicContact CZ-CG 4.4Å; I4307-Y4311 PolarHBondContact O-OH 2.87Å; W4309-Y4311 HydrophobicContact CB-CD2 4.15Å; W4309-Y4311 HydrophobicContact CB-CE1 4.24Å; W4309-Y4311 HydrophobicContact CB-CE2 3.56Å; W4309-Y4311 AromaticContact CD1-CE1 3.95Å; W4309-Y4311 HydrophobicContact CG-CE1 4.35Å; W4309-Y4311 HydrophobicContact CG-CE2 4.43Å; Y4311-R4339 CarbonylContact O-C 3.59Å; Y4311-R4339 WeakPolarHBondContact O-CA 3.46Å; Y4311-I4340 PolarHBondContact N-O 3.03Å; Y4311-I4340 PolarHBondContact O-N 3.42Å; Y4311-V4342 HydrophobicContact CD2-CG2 3.62Å; Y4311-V4342 HydrophobicContact CE2-CB 4.17Å; Y4311-V4342 HydrophobicContact CE2-CG2 3.62Å |
| 4312 | T | 91.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 123.2 | 162.9 | -50.7 | 0 | 0 | 0 | 0 | 108 | I4269 C4270 K4337 D4374 E4375 A4378 | I4269-T4312 WeakPolarHBondContact CA-O 3.35Å; C4270-T4312 HydrophobicContact CB-CG2 4.37Å; C4270-T4312 PolarHBondContact N-O 2.84Å; T4312-K4337 HydrophobicContact CG2-CB 4.29Å; T4312-K4337 HydrophobicContact CG2-CD 4.46Å; T4312-D4374 HydrophobicContact CG2-CB 3.87Å; T4312-D4374 PolarHBondContact OG1-O 3.22Å; T4312-E4375 HydrophobicContact CG2-CG 4.18Å; T4312-E4375 WeakPolarHBondContact OG1-CA 3.33Å; T4312-A4378 VanDerWaalsContact OG1-CB 3.29Å; T4312-A4378 WeakPolarHBondContact OG1-CB 3.38Å |
| 4313 | Y | 91.8 | Very high | 87.5 | Confident | 8 Ų | 8 | 35.5 Ų | 35.5 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.9 | -174.8 | -160.5 | -95.4 | 0 | 0 | 0 | 109.7 | G4267 D4268 I4269 C4270 S4285 I4302 F4305 I4315 K4337 I4338 I4340 | G4267-Y4313 VanDerWaalsContact C-CZ 3.43Å; G4267-Y4313 PolarHBondContact O-OH 3.47Å; D4268-Y4313 VanDerWaalsContact C-CD2 3.48Å; D4268-Y4313 VanDerWaalsContact C-CE2 3.48Å; D4268-Y4313 CarbonylContact O-C 3.58Å; D4268-Y4313 WeakPolarHBondContact O-CA 3.39Å; D4268-Y4313 WeakPolarHBondContact O-CD2 3.47Å; I4269-Y4313 HydrophobicContact CG1-CD2 4.42Å; C4270-Y4313 VanDerWaalsContact SG-C 3.54Å; S4285-Y4313 WeakPolarHBondContact CB-OH 3.39Å; S4285-Y4313 PolarHBondContact OG-OH 3.34Å; I4302-Y4313 HydrophobicContact CD1-CD1 4.49Å; I4302-Y4313 HydrophobicContact CD1-CE1 3.67Å; I4302-Y4313 HydrophobicContact CG2-CE2 4.46Å; I4302-Y4313 WeakPolarHBondContact CG2-OH 3.31Å; F4305-Y4313 AromaticContact CZ-CD2 4Å; F4305-Y4313 HydrophobicContact CZ-CD2 4Å; F4305-Y4313 HydrophobicContact CZ-CE2 4.26Å; Y4313-I4315 HydrophobicContact CD1-CD1 4.09Å; Y4313-I4315 HydrophobicContact CD1-CG1 3.88Å; Y4313-I4315 HydrophobicContact CE1-CD1 4.32Å; Y4313-I4315 HydrophobicContact CE1-CG1 3.97Å; Y4313-K4337 CarbonylContact O-C 3.36Å; Y4313-K4337 WeakPolarHBondContact O-CA 3.33Å; Y4313-I4338 HydrophobicContact CD1-CG2 4.48Å; Y4313-I4338 PolarHBondContact N-O 3.45Å; Y4313-I4338 PolarHBondContact O-N 2.78Å; Y4313-I4340 HydrophobicContact CD2-CD1 4.24Å; Y4313-I4340 HydrophobicContact CG-CD1 4Å |
| 4314 | C | 91.1 | Very high | 86.9 | Confident | 21 Ų | 21 | 32 Ų | 32 | 14% | 0.142 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 131 | -174.1 | -86.9 | 0 | 0 | 0 | 0 | 109.7 | G4267 D4268 C4270 I4335 | G4267-C4314 VanDerWaalsContact CA-O 3.27Å; G4267-C4314 WeakPolarHBondContact CA-O 3.41Å; D4268-C4314 PolarHBondContact N-O 2.82Å; D4268-C4314 VanDerWaalsContact N-O 3.09Å; D4268-C4314 PolarHBondContact O-N 2.85Å; C4270-C4314 VanDerWaalsContact CA-SG 3.54Å; C4270-C4314 HydrophobicContact CB-CB 4.05Å; C4270-C4314 WeakPolarHBondContact CB-SG 3.47Å; C4270-C4314 VanDerWaalsContact SG-CA 3.51Å; C4270-C4314 WeakPolarHBondContact SG-CB 3.28Å; C4270-C4314 PolarHBondContact SG-N 2.92Å; C4270-C4314 CovalentContact SG-SG 2.03Å; C4270-C4314 PolarHBondContact SG-SG 3.38Å; C4314-I4335 HydrophobicContact CB-CG2 4Å |
| 4315 | I | 92.5 | Very high | 86.6 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.3 | 178.9 | -60.7 | 160.7 | 0 | 0 | 0 | 109.9 | L4216 I4218 I4240 M4242 F4265 T4266 W4300 Y4313 I4335 T4336 | L4216-I4315 HydrophobicContact CD2-CG2 4.07Å; I4218-I4315 HydrophobicContact CD1-CB 4.17Å; I4218-I4315 HydrophobicContact CD1-CD1 3.5Å; I4218-I4315 HydrophobicContact CD1-CG1 4.41Å; I4240-I4315 HydrophobicContact CD1-CD1 3.33Å; M4242-I4315 HydrophobicContact CE-CG2 3.6Å; F4265-I4315 HydrophobicContact CD1-CG2 4.47Å; T4266-I4315 CarbonylContact O-C 3.51Å; T4266-I4315 VanDerWaalsContact O-CA 3.3Å; T4266-I4315 WeakPolarHBondContact O-CA 3.29Å; W4300-I4315 HydrophobicContact CZ3-CG1 4.33Å; W4300-I4315 HydrophobicContact CZ3-CG2 4.05Å; Y4313-I4315 HydrophobicContact CD1-CD1 4.09Å; Y4313-I4315 HydrophobicContact CD1-CG1 3.88Å; Y4313-I4315 HydrophobicContact CE1-CD1 4.32Å; Y4313-I4315 HydrophobicContact CE1-CG1 3.97Å; I4315-I4335 CarbonylContact O-C 3.55Å; I4315-I4335 WeakPolarHBondContact O-CA 3.28Å; I4315-T4336 PolarHBondContact N-O 3.07Å; I4315-T4336 PolarHBondContact O-N 2.96Å |
| 4316 | S | 88.6 | Confident | 86.5 | Confident | 35 Ų | 35 | 38.4 Ų | 38.4 | 25% | 0.245 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 150.5 | 175.2 | 58.4 | 0 | 0 | 0 | 0 | 110.7 | F4265 T4266 | F4265-S4316 CarbonylContact C-O 3.54Å; F4265-S4316 WeakPolarHBondContact CA-O 3.4Å; T4266-S4316 PolarHBondContact N-O 3.38Å; T4266-S4316 PolarHBondContact O-N 2.77Å |
| 4317 | A | 90.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 134.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | W4263 K4264 F4265 L4333 | W4263-A4317 HydrophobicContact CE3-CB 4.42Å; K4264-A4317 VanDerWaalsContact O-CA 3.29Å; K4264-A4317 WeakPolarHBondContact O-CA 3.49Å; F4265-A4317 HydrophobicContact CD1-CB 3.46Å; F4265-A4317 VanDerWaalsContact CD1-CB 3.46Å; F4265-A4317 HydrophobicContact CE1-CB 3.36Å; F4265-A4317 HydrophobicContact CE2-CB 4.5Å; F4265-A4317 HydrophobicContact CG-CB 4.09Å; F4265-A4317 HydrophobicContact CZ-CB 3.91Å; A4317-L4333 HydrophobicContact CB-CB 4Å; A4317-L4333 HydrophobicContact CB-CD1 3.73Å; A4317-L4333 HydrophobicContact CB-CG 3.94Å; A4317-L4333 PolarHBondContact O-N 3.01Å |
| 4318 | N | 89.7 | Confident | 86.5 | Confident | 36 Ų | 36 | 38.3 Ų | 38.3 | 19% | 0.193 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135.8 | 176.5 | -65.3 | 110.4 | 0 | 0 | 0 | 111.5 | W4263 K4264 Y4320 R4327 D4332 | W4263-N4318 WeakPolarHBondContact CA-O 3.29Å; K4264-N4318 PolarHBondContact N-O 3.04Å; K4264-N4318 PolarHBondContact O-N 3.4Å; N4318-Y4320 HydrophobicContact CB-CD2 4.48Å; N4318-Y4320 HydrophobicContact CB-CE2 3.63Å; N4318-Y4320 WeakPolarHBondContact O-CD2 3.47Å; N4318-R4327 PolarHBondContact ND2-NE 3.21Å; N4318-R4327 PolarHBondContact ND2-NH2 2.96Å; N4318-D4332 WeakPolarHBondContact CA-OD1 3.37Å; N4318-D4332 WeakPolarHBondContact CB-OD1 3.44Å; N4318-D4332 VanDerWaalsContact ND2-CG 3.32Å; N4318-D4332 PolarHBondContact ND2-OD1 3.31Å |
| 4319 | A | 88 | Confident | 86.2 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 135.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | W4263 R4327 Q4328 D4332 | W4263-A4319 HydrophobicContact CD2-CB 4.49Å; W4263-A4319 HydrophobicContact CE3-CB 3.96Å; W4263-A4319 HydrophobicContact CH2-CB 3.85Å; W4263-A4319 HydrophobicContact CZ2-CB 4.38Å; W4263-A4319 HydrophobicContact CZ3-CB 3.61Å; A4319-R4327 CarbonylContact O-C 3.52Å; A4319-R4327 WeakPolarHBondContact O-CA 3.31Å; A4319-Q4328 HydrophobicContact CB-CB 4.29Å; A4319-Q4328 PolarHBondContact O-N 2.93Å; A4319-D4332 PolarHBondContact N-OD1 3.17Å; A4319-D4332 VanDerWaalsContact N-OD1 3.1Å |
| 4320 | Y | 86 | Confident | 85.8 | Confident | 44 Ų | 44 | 44.4 Ų | 44.4 | 17% | 0.173 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 157.4 | 177.4 | -65.7 | -93.2 | 0 | 0 | 0 | 109.6 | L4261 I4262 K4264 N4318 T4326 R4327 | L4261-Y4320 CarbonylContact C-O 3.54Å; L4261-Y4320 WeakPolarHBondContact CA-O 3.2Å; I4262-Y4320 PolarHBondContact N-O 3.46Å; I4262-Y4320 PolarHBondContact O-N 3.25Å; K4264-Y4320 HydrophobicContact CB-CD2 4.41Å; K4264-Y4320 HydrophobicContact CB-CE2 3.95Å; N4318-Y4320 HydrophobicContact CB-CD2 4.48Å; N4318-Y4320 HydrophobicContact CB-CE2 3.63Å; N4318-Y4320 WeakPolarHBondContact O-CD2 3.47Å; Y4320-T4326 CarbonylContact C-O 3.54Å; Y4320-T4326 WeakPolarHBondContact CA-O 3.41Å; Y4320-R4327 HydrophobicContact CD1-CB 4.03Å; Y4320-R4327 HydrophobicContact CE1-CB 3.76Å; Y4320-R4327 HydrophobicContact CE1-CG 4.16Å |
| 4321 | L | 82.7 | Confident | 85.5 | Confident | 59 Ų | 59 | 44.5 Ų | 44.5 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 169.4 | 162.9 | -64.7 | 177.7 | 0 | 0 | 0 | 110.3 | N4260 L4261 D4323 S4324 T4326 Q4328 | N4260-L4321 CarbonylContact O-C 3.54Å; N4260-L4321 WeakPolarHBondContact O-CA 3.39Å; L4261-L4321 HydrophobicContact CD2-CD2 4.31Å; L4321-D4323 PolarHBondContact O-N 2.86Å; L4321-S4324 PolarHBondContact O-N 2.82Å; L4321-T4326 HydrophobicContact CD1-CG2 3.84Å; L4321-T4326 HydrophobicContact CG-CG2 4.36Å; L4321-T4326 PolarHBondContact N-O 2.76Å; L4321-Q4328 HydrophobicContact CD2-CG 3.92Å; L4321-Q4328 HydrophobicContact CG-CG 3.99Å |
| 4322 | N | 76.6 | Confident | 85.3 | Confident | 85 Ų | 85 | 46.1 Ų | 46.1 | 46% | 0.455 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -11.5 | 175.7 | -85.3 | 11.5 | 0 | 0 | 0 | 115 | N4260 I4262 S4324 | N4260-N4322 VanDerWaalsContact C-OD1 3.26Å; N4260-N4322 HydrophobicContact CB-CB 4.37Å; N4260-N4322 PolarHBondContact O-N 3.36Å; N4260-N4322 PolarHBondContact O-OD1 3.48Å; I4262-N4322 HydrophobicContact CD1-CB 4.39Å; N4322-S4324 PolarHBondContact O-N 2.98Å |
| 4323 | D | 75.9 | Confident | 85.2 | Confident | 75 Ų | 75 | 46.5 Ų | 46.5 | 40% | 0.401 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -8.4 | 171.4 | 72.8 | -9.1 | 0 | 0 | 0 | 113.6 | L4321 T4325 T4326 | L4321-D4323 PolarHBondContact O-N 2.86Å; D4323-T4325 PolarHBondContact O-N 2.97Å; D4323-T4325 PolarHBondContact OD1-N 3.46Å; D4323-T4325 PolarHBondContact OD2-OG1 2.84Å; D4323-T4326 PolarHBondContact OD1-N 2.81Å; D4323-T4326 VanDerWaalsContact OD2-CB 3.23Å; D4323-T4326 WeakPolarHBondContact OD2-CB 3.38Å; D4323-T4326 PolarHBondContact OD2-N 2.8Å; D4323-T4326 PolarHBondContact OD2-OG1 3.01Å |
| 4324 | S | 74.1 | Confident | 84.8 | Confident | 55 Ų | 55 | 49 Ų | 49 | 39% | 0.385 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 58.7 | 9.1 | -175.2 | -55.8 | 0 | 0 | 0 | 0 | 115.2 | L4321 N4322 | L4321-S4324 PolarHBondContact O-N 2.82Å; N4322-S4324 PolarHBondContact O-N 2.98Å |
| 4325 | T | 78.8 | Confident | 84.6 | Confident | 107 Ų | 107 | 53.5 Ų | 53.5 | 66% | 0.656 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -122.3 | -36.6 | -176.3 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | D4323 R4327 | D4323-T4325 PolarHBondContact O-N 2.97Å; D4323-T4325 PolarHBondContact OD1-N 3.46Å; D4323-T4325 PolarHBondContact OD2-OG1 2.84Å; T4325-R4327 PolarHBondContact O-N 3.39Å; T4325-R4327 VanDerWaalsContact O-N 3.15Å |
| 4326 | T | 86.1 | Confident | 84.5 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 39% | 0.393 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -83.6 | 98.2 | -178 | -59.7 | 0 | 0 | 0 | 0 | 110 | Y4320 L4321 D4323 | Y4320-T4326 CarbonylContact C-O 3.54Å; Y4320-T4326 WeakPolarHBondContact CA-O 3.41Å; L4321-T4326 HydrophobicContact CD1-CG2 3.84Å; L4321-T4326 HydrophobicContact CG-CG2 4.36Å; L4321-T4326 PolarHBondContact N-O 2.76Å; D4323-T4326 PolarHBondContact OD1-N 2.81Å; D4323-T4326 VanDerWaalsContact OD2-CB 3.23Å; D4323-T4326 WeakPolarHBondContact OD2-CB 3.38Å; D4323-T4326 PolarHBondContact OD2-N 2.8Å; D4323-T4326 PolarHBondContact OD2-OG1 3.01Å |
| 4327 | R | 86.9 | Confident | 84.5 | Confident | 127 Ų | 127 | 56.2 Ų | 56.2 | 48% | 0.479 | 30% | 0.3 | S | S | . | . | B | Isolated β-bridge | trans | -67.4 | 130.6 | 179.3 | -169.6 | 173.5 | 179.1 | -125.2 | 9.4 | 111.5 | N4318 A4319 Y4320 T4325 D4332 | N4318-R4327 PolarHBondContact ND2-NE 3.21Å; N4318-R4327 PolarHBondContact ND2-NH2 2.96Å; A4319-R4327 CarbonylContact O-C 3.52Å; A4319-R4327 WeakPolarHBondContact O-CA 3.31Å; Y4320-R4327 HydrophobicContact CD1-CB 4.03Å; Y4320-R4327 HydrophobicContact CE1-CB 3.76Å; Y4320-R4327 HydrophobicContact CE1-CG 4.16Å; T4325-R4327 PolarHBondContact O-N 3.39Å; T4325-R4327 VanDerWaalsContact O-N 3.15Å; R4327-D4332 IonicContact CZ-OD1 2.64Å; R4327-D4332 IonicContact CZ-OD2 2.6Å; R4327-D4332 IonicContact NE-OD1 2.8Å; R4327-D4332 PolarHBondContact NE-OD1 3.11Å; R4327-D4332 IonicContact NE-OD2 3.44Å; R4327-D4332 PolarHBondContact NE-OD2 3.46Å; R4327-D4332 IonicContact NH1-OD2 2.76Å; R4327-D4332 IonicContact NH2-OD1 3.54Å; R4327-D4332 IonicContact NH2-OD2 3.64Å; R4327-D4332 PolarHBondContact NH2-OD2 3.44Å |
| 4328 | Q | 85.5 | Confident | 84.5 | Confident | 36 Ų | 36 | 56.4 Ų | 56.4 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | trans | -102.6 | 79.9 | 174.5 | -62.3 | -62.5 | -55.4 | 0 | 0 | 109.2 | L4261 A4319 L4321 Q4330 Y4331 | L4261-Q4328 HydrophobicContact CD2-CB 4.16Å; L4261-Q4328 HydrophobicContact CD2-CG 3.78Å; A4319-Q4328 HydrophobicContact CB-CB 4.29Å; A4319-Q4328 PolarHBondContact O-N 2.93Å; L4321-Q4328 HydrophobicContact CD2-CG 3.92Å; L4321-Q4328 HydrophobicContact CG-CG 3.99Å; Q4328-Q4330 VanDerWaalsContact C-OE1 3.26Å; Q4328-Q4330 PolarHBondContact O-N 3.12Å; Q4328-Q4330 VanDerWaalsContact O-N 3.13Å; Q4328-Y4331 HydrophobicContact CB-CD2 3.82Å; Q4328-Y4331 PolarHBondContact O-N 3.34Å | ||
| 4329 | S | 82.6 | Confident | 84.5 | Confident | 76 Ų | 76 | 55.9 Ų | 55.9 | 53% | 0.531 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -61.4 | -25.9 | -170.2 | 56.9 | 0 | 0 | 0 | 0 | 114.1 | Y4331 D4332 | S4329-Y4331 PolarHBondContact O-N 2.95Å; S4329-D4332 WeakPolarHBondContact CA-OD2 3.38Å; S4329-D4332 PolarHBondContact O-N 3.31Å |
| 4330 | Q | 80.9 | Confident | 84.6 | Confident | 100 Ų | 100 | 55.9 Ų | 55.9 | 47% | 0.467 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -65.3 | -16.3 | 176.2 | 71.5 | -81.8 | 17.2 | 0 | 0 | 113.9 | Q4328 | Q4328-Q4330 VanDerWaalsContact C-OE1 3.26Å; Q4328-Q4330 PolarHBondContact O-N 3.12Å; Q4328-Q4330 VanDerWaalsContact O-N 3.13Å |
| 4331 | Y | 85.9 | Confident | 84.8 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 2% | 0.02 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -111.8 | 1.3 | 178.6 | -56.7 | -57.6 | 0 | 0 | 0 | 113.2 | E4116 L4214 R4259 L4261 W4263 Q4328 S4329 L4333 | E4116-Y4331 PolarHBondContact OE1-OH 3.4Å; L4214-Y4331 HydrophobicContact CD1-CD1 4.29Å; R4259-Y4331 WeakPolarHBondContact CD-OH 3.37Å; R4259-Y4331 PolarHBondContact NE-OH 3.42Å; L4261-Y4331 HydrophobicContact CD1-CD2 3.82Å; L4261-Y4331 HydrophobicContact CD1-CE2 4.34Å; L4261-Y4331 HydrophobicContact CD1-CG 4.13Å; L4261-Y4331 HydrophobicContact CD2-CD2 4.21Å; W4263-Y4331 WeakPolarHBondContact CH2-O 3.42Å; W4263-Y4331 WeakPolarHBondContact CZ3-O 3.31Å; Q4328-Y4331 HydrophobicContact CB-CD2 3.82Å; Q4328-Y4331 PolarHBondContact O-N 3.34Å; S4329-Y4331 PolarHBondContact O-N 2.95Å; Y4331-L4333 PolarHBondContact O-N 2.97Å |
| 4332 | D | 86.1 | Confident | 85.1 | Confident | 35 Ų | 35 | 52.8 Ų | 52.8 | 19% | 0.187 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 139.2 | 177 | -74.8 | -40.3 | 0 | 0 | 0 | 111.6 | N4318 A4319 R4327 S4329 | N4318-D4332 WeakPolarHBondContact CA-OD1 3.37Å; N4318-D4332 WeakPolarHBondContact CB-OD1 3.44Å; N4318-D4332 VanDerWaalsContact ND2-CG 3.32Å; N4318-D4332 PolarHBondContact ND2-OD1 3.31Å; A4319-D4332 PolarHBondContact N-OD1 3.17Å; A4319-D4332 VanDerWaalsContact N-OD1 3.1Å; R4327-D4332 IonicContact CZ-OD1 2.64Å; R4327-D4332 IonicContact CZ-OD2 2.6Å; R4327-D4332 IonicContact NE-OD1 2.8Å; R4327-D4332 PolarHBondContact NE-OD1 3.11Å; R4327-D4332 IonicContact NE-OD2 3.44Å; R4327-D4332 PolarHBondContact NE-OD2 3.46Å; R4327-D4332 IonicContact NH1-OD2 2.76Å; R4327-D4332 IonicContact NH2-OD1 3.54Å; R4327-D4332 IonicContact NH2-OD2 3.64Å; R4327-D4332 PolarHBondContact NH2-OD2 3.44Å; S4329-D4332 WeakPolarHBondContact CA-OD2 3.38Å; S4329-D4332 PolarHBondContact O-N 3.31Å |
| 4333 | L | 88.4 | Confident | 85.6 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 5% | 0.047 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 137.5 | 177.9 | -51.2 | -174.6 | 0 | 0 | 0 | 110.2 | L4214 L4216 I4244 W4263 F4265 A4317 Y4331 | L4214-L4333 HydrophobicContact CB-CD2 3.51Å; L4216-L4333 HydrophobicContact CB-CD1 3.9Å; L4216-L4333 HydrophobicContact CD1-CD1 3.96Å; L4216-L4333 HydrophobicContact CG-CD1 4.35Å; I4244-L4333 HydrophobicContact CD1-CD1 4.14Å; I4244-L4333 HydrophobicContact CG1-CD1 3.95Å; I4244-L4333 HydrophobicContact CG2-CD1 4.33Å; I4244-L4333 HydrophobicContact CG2-CD2 4.15Å; W4263-L4333 HydrophobicContact CE3-CD1 4.33Å; W4263-L4333 HydrophobicContact CE3-CG 4.19Å; W4263-L4333 HydrophobicContact CH2-CD2 4.06Å; W4263-L4333 HydrophobicContact CH2-CG 4.42Å; W4263-L4333 HydrophobicContact CZ3-CD1 4.15Å; W4263-L4333 HydrophobicContact CZ3-CD2 3.76Å; W4263-L4333 HydrophobicContact CZ3-CG 3.64Å; F4265-L4333 HydrophobicContact CE1-CD1 4.46Å; A4317-L4333 HydrophobicContact CB-CB 4Å; A4317-L4333 HydrophobicContact CB-CD1 3.73Å; A4317-L4333 HydrophobicContact CB-CG 3.94Å; A4317-L4333 PolarHBondContact O-N 3.01Å; Y4331-L4333 PolarHBondContact O-N 2.97Å |
| 4334 | P | 84.8 | Confident | 86 | Confident | 61 Ų | 61 | 48.5 Ų | 48.5 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 156.8 | 173.3 | 28.7 | -34.7 | 0 | 0 | 0 | 111.5 | T4336 | P4334-T4336 PolarHBondContact O-N 2.8Å |
| 4335 | I | 87.1 | Confident | 86.2 | Confident | 114 Ų | 114 | 51.5 Ų | 51.5 | 59% | 0.585 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 128.3 | 175.3 | -63.7 | 169.6 | 0 | 0 | 0 | 109.4 | C4314 I4315 | C4314-I4335 HydrophobicContact CB-CG2 4Å; I4315-I4335 CarbonylContact O-C 3.55Å; I4315-I4335 WeakPolarHBondContact O-CA 3.28Å |
| 4336 | T | 89.5 | Confident | 86.2 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 18% | 0.178 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133.4 | 174.7 | -55.4 | 0 | 0 | 0 | 0 | 109.3 | I4218 I4315 P4334 | I4218-T4336 HydrophobicContact CD1-CG2 3.55Å; I4218-T4336 HydrophobicContact CG1-CG2 3.92Å; I4315-T4336 PolarHBondContact N-O 3.07Å; I4315-T4336 PolarHBondContact O-N 2.96Å; P4334-T4336 PolarHBondContact O-N 2.8Å |
| 4337 | K | 89 | Confident | 85.9 | Confident | 63 Ų | 63 | 52.9 Ų | 52.9 | 27% | 0.274 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 143.9 | -176.5 | -55.8 | -174 | -173.5 | -175.6 | 0 | 111.1 | T4312 Y4313 Q4371 D4374 E4375 | T4312-K4337 HydrophobicContact CG2-CB 4.29Å; T4312-K4337 HydrophobicContact CG2-CD 4.46Å; Y4313-K4337 CarbonylContact O-C 3.36Å; Y4313-K4337 WeakPolarHBondContact O-CA 3.33Å; K4337-Q4371 PolarHBondContact NZ-O 3.41Å; K4337-Q4371 VanDerWaalsContact NZ-O 3.09Å; K4337-D4374 HydrophobicContact CD-CB 4.33Å; K4337-E4375 IonicContact NZ-OE1 2.93Å; K4337-E4375 PolarHBondContact NZ-OE1 2.68Å; K4337-E4375 IonicContact NZ-OE2 2.68Å; K4337-E4375 PolarHBondContact NZ-OE2 3.29Å |
| 4338 | I | 90 | Very high | 85.7 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 141.2 | 172.6 | -166.5 | 164.2 | 0 | 0 | 0 | 110.6 | I4218 P4220 S4228 I4230 Y4313 I4340 | I4218-I4338 HydrophobicContact CG2-CD1 4.25Å; P4220-I4338 HydrophobicContact CG-CD1 4.43Å; S4228-I4338 WeakPolarHBondContact O-CG1 3.37Å; I4230-I4338 HydrophobicContact CD1-CD1 3.7Å; I4230-I4338 HydrophobicContact CG1-CD1 3.63Å; I4230-I4338 HydrophobicContact CG1-CG1 4.21Å; Y4313-I4338 HydrophobicContact CD1-CG2 4.48Å; Y4313-I4338 PolarHBondContact N-O 3.45Å; Y4313-I4338 PolarHBondContact O-N 2.78Å; I4338-I4340 HydrophobicContact CG2-CG1 4.43Å |
| 4339 | R | 89.6 | Confident | 85.5 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 9% | 0.094 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 137.2 | 176.7 | -75.4 | 175.1 | -70.9 | 151.9 | 5.9 | 110.2 | S4228 I4229 I4230 Y4311 | S4228-R4339 PolarHBondContact O-N 3.48Å; S4228-R4339 PolarHBondContact OG-NH2 2.95Å; I4229-R4339 CarbonylContact C-O 3.59Å; I4229-R4339 VanDerWaalsContact CA-O 3.23Å; I4229-R4339 WeakPolarHBondContact CA-O 3.39Å; I4229-R4339 HydrophobicContact CG1-CB 4.42Å; I4230-R4339 PolarHBondContact N-O 3.13Å; Y4311-R4339 CarbonylContact O-C 3.59Å; Y4311-R4339 WeakPolarHBondContact O-CA 3.46Å |
| 4340 | I | 90.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 110.9 | -175.9 | -52.4 | -179.8 | 0 | 0 | 0 | 109.2 | I4230 L4232 F4238 F4305 V4310 Y4311 Y4313 I4338 V4342 | I4230-I4340 HydrophobicContact CB-CG1 4.38Å; I4230-I4340 HydrophobicContact CB-CG2 4.35Å; I4230-I4340 CarbonylContact O-C 3.6Å; I4230-I4340 WeakPolarHBondContact O-CA 3.46Å; L4232-I4340 HydrophobicContact CD2-CG2 3.37Å; L4232-I4340 HydrophobicContact CG-CG2 4.05Å; F4238-I4340 HydrophobicContact CE1-CD1 3.92Å; F4238-I4340 HydrophobicContact CE2-CD1 3.92Å; F4238-I4340 HydrophobicContact CZ-CD1 3.42Å; F4238-I4340 VanDerWaalsContact CZ-CD1 3.42Å; F4305-I4340 HydrophobicContact CD2-CG2 4.18Å; F4305-I4340 HydrophobicContact CE2-CB 4.33Å; F4305-I4340 HydrophobicContact CE2-CD1 3.67Å; F4305-I4340 HydrophobicContact CE2-CG2 3.87Å; F4305-I4340 HydrophobicContact CZ-CD1 4Å; V4310-I4340 CarbonylContact C-O 3.51Å; V4310-I4340 WeakPolarHBondContact CA-O 3.45Å; Y4311-I4340 PolarHBondContact N-O 3.03Å; Y4311-I4340 PolarHBondContact O-N 3.42Å; Y4313-I4340 HydrophobicContact CD2-CD1 4.24Å; Y4313-I4340 HydrophobicContact CG-CD1 4Å; I4338-I4340 HydrophobicContact CG2-CG1 4.43Å; I4340-V4342 HydrophobicContact CG2-CG2 3.99Å |
| 4341 | Y | 88.9 | Confident | 85.7 | Confident | 38 Ų | 38 | 48.1 Ų | 48.1 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 118.9 | 173.6 | -72.1 | -108.7 | 0 | 0 | 0 | 109.4 | I4229 I4230 K4231 L4232 V4310 Q4381 | I4229-Y4341 HydrophobicContact CD1-CE2 4.16Å; I4229-Y4341 HydrophobicContact CG1-CE2 4.39Å; I4229-Y4341 HydrophobicContact CG2-CD2 3.54Å; I4229-Y4341 HydrophobicContact CG2-CE2 3.62Å; I4230-Y4341 PolarHBondContact O-N 3.2Å; K4231-Y4341 CarbonylContact C-O 3.46Å; K4231-Y4341 WeakPolarHBondContact CA-O 3.37Å; L4232-Y4341 PolarHBondContact N-O 3.33Å; V4310-Y4341 HydrophobicContact CB-CD1 4.43Å; V4310-Y4341 HydrophobicContact CG1-CD1 4.11Å; V4310-Y4341 HydrophobicContact CG1-CD2 3.97Å; V4310-Y4341 HydrophobicContact CG1-CE1 4.07Å; V4310-Y4341 HydrophobicContact CG1-CE2 3.93Å; V4310-Y4341 HydrophobicContact CG1-CG 4.09Å; V4310-Y4341 HydrophobicContact CG2-CD1 3.45Å; V4310-Y4341 VanDerWaalsContact CG2-CD1 3.45Å; V4310-Y4341 HydrophobicContact CG2-CE1 3.69Å; V4310-Y4341 HydrophobicContact CG2-CG 4.05Å; Y4341-Q4381 HydrophobicContact CE1-CB 4.35Å; Y4341-Q4381 PolarHBondContact OH-NE2 3.06Å; Y4341-Q4381 PolarHBondContact OH-OE1 3.26Å |
| 4342 | V | 89.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 104.1 | 179 | -174.8 | 0 | 0 | 0 | 0 | 106.9 | L4232 V4234 F4305 I4307 S4308 W4309 Y4311 I4340 | L4232-V4342 HydrophobicContact CD1-CB 4.19Å; L4232-V4342 HydrophobicContact CD1-CG1 3.88Å; L4232-V4342 HydrophobicContact CD1-CG2 3.68Å; L4232-V4342 HydrophobicContact CG-CG2 4.1Å; L4232-V4342 CarbonylContact O-C 3.59Å; L4232-V4342 VanDerWaalsContact O-CA 3.29Å; L4232-V4342 WeakPolarHBondContact O-CA 3.44Å; V4234-V4342 HydrophobicContact CG2-CG1 3.91Å; F4305-V4342 HydrophobicContact CB-CG1 4.27Å; F4305-V4342 HydrophobicContact CB-CG2 3.97Å; F4305-V4342 HydrophobicContact CD2-CG2 3.76Å; F4305-V4342 HydrophobicContact CG-CG2 4.15Å; I4307-V4342 WeakPolarHBondContact O-CG1 3.32Å; S4308-V4342 CarbonylContact C-O 3.55Å; S4308-V4342 WeakPolarHBondContact CA-O 3.31Å; S4308-V4342 VanDerWaalsContact CB-O 3.31Å; S4308-V4342 WeakPolarHBondContact CB-O 3.43Å; S4308-V4342 PolarHBondContact OG-O 2.94Å; W4309-V4342 PolarHBondContact N-O 3.08Å; W4309-V4342 WeakPolarHBondContact O-CB 3.38Å; W4309-V4342 PolarHBondContact O-N 2.85Å; Y4311-V4342 HydrophobicContact CD2-CG2 3.62Å; Y4311-V4342 HydrophobicContact CE2-CB 4.17Å; Y4311-V4342 HydrophobicContact CE2-CG2 3.62Å; I4340-V4342 HydrophobicContact CG2-CG2 3.99Å |
| 4343 | N | 87.2 | Confident | 85.9 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 10% | 0.102 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 154.2 | -179 | -67.6 | -31.3 | 0 | 0 | 0 | 111.1 | L4232 S4233 V4234 Y4347 | L4232-N4343 PolarHBondContact O-N 2.97Å; S4233-N4343 WeakPolarHBondContact CA-O 3.26Å; V4234-N4343 PolarHBondContact N-O 2.97Å; N4343-Y4347 HydrophobicContact CB-CD1 3.76Å; N4343-Y4347 HydrophobicContact CB-CD2 4.45Å; N4343-Y4347 HydrophobicContact CB-CG 3.71Å; N4343-Y4347 WeakPolarHBondContact ND2-CD1 3.5Å |
| 4344 | P | 84 | Confident | 85.9 | Confident | 51 Ų | 51 | 58 Ų | 58 | 33% | 0.331 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 160.1 | 173.8 | -20.7 | 32.2 | 0 | 0 | 0 | 112.7 | S4308 N4346 Y4347 | S4308-P4344 WeakPolarHBondContact OG-CD 3.31Å; P4344-N4346 PolarHBondContact O-N 2.89Å; P4344-Y4347 VanDerWaalsContact O-CB 3.31Å; P4344-Y4347 WeakPolarHBondContact O-CB 3.04Å; P4344-Y4347 PolarHBondContact O-N 2.78Å; P4344-Y4347 VanDerWaalsContact O-N 3.13Å |
| 4345 | I | 78.4 | Confident | 86.2 | Confident | 118 Ų | 118 | 59.4 Ų | 59.4 | 61% | 0.605 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 129.7 | 171.6 | -58.6 | 174 | 0 | 0 | 0 | 108.2 | V4234 | V4234-I4345 HydrophobicContact CB-CG1 4.2Š|
| 4346 | N | 78.6 | Confident | 86.3 | Confident | 151 Ų | 151 | 57 Ų | 57 | 81% | 0.807 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 22.7 | -175.2 | -50.5 | -32.7 | 0 | 0 | 0 | 115.9 | P4344 T4348 | P4344-N4346 PolarHBondContact O-N 2.89Å; N4346-T4348 PolarHBondContact O-N 3.18Å |
| 4347 | Y | 80.8 | Confident | 86.2 | Confident | 49 Ų | 49 | 59.3 Ų | 59.3 | 19% | 0.192 | 31% | 0.309 | C | S | . | . | trans | -61.1 | 124.9 | 171.7 | -178.1 | -101.5 | 0 | 0 | 0 | 111.8 | N4343 P4344 E4349 P4350 P4389 | N4343-Y4347 HydrophobicContact CB-CD1 3.76Å; N4343-Y4347 HydrophobicContact CB-CD2 4.45Å; N4343-Y4347 HydrophobicContact CB-CG 3.71Å; N4343-Y4347 WeakPolarHBondContact ND2-CD1 3.5Å; P4344-Y4347 VanDerWaalsContact O-CB 3.31Å; P4344-Y4347 WeakPolarHBondContact O-CB 3.04Å; P4344-Y4347 PolarHBondContact O-N 2.78Å; P4344-Y4347 VanDerWaalsContact O-N 3.13Å; Y4347-E4349 HydrophobicContact CE1-CB 3.96Å; Y4347-E4349 HydrophobicContact CE1-CG 4.16Å; Y4347-P4350 WeakPolarHBondContact OH-CD 3.38Å; Y4347-P4389 WeakPolarHBondContact CE2-O 3.26Å; Y4347-P4389 PolarHBondContact OH-O 3.29Å | ||
| 4348 | T | 82 | Confident | 86.2 | Confident | 120 Ų | 120 | 57 Ų | 57 | 74% | 0.736 | 30% | 0.299 | S | S | * | . | trans | -104.4 | 120.1 | 169.7 | -54.6 | 0 | 0 | 0 | 0 | 108.3 | N4346 P4350 | N4346-T4348 PolarHBondContact O-N 3.18Å; T4348-P4350 WeakPolarHBondContact O-CD 3.38Å | ||
| 4349 | E | 81.8 | Confident | 86.1 | Confident | 70 Ų | 70 | 61.2 Ų | 61.2 | 33% | 0.327 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 126.5 | 179.9 | -161 | 172.6 | 142 | 0 | 0 | 110.1 | K4231 Y4347 R4352 L4392 | K4231-E4349 VanDerWaalsContact NZ-CD 3.26Å; K4231-E4349 IonicContact NZ-OE1 2.65Å; K4231-E4349 PolarHBondContact NZ-OE1 3.22Å; K4231-E4349 IonicContact NZ-OE2 3.82Å; K4231-E4349 PolarHBondContact NZ-OE2 2.85Å; Y4347-E4349 HydrophobicContact CE1-CB 3.96Å; Y4347-E4349 HydrophobicContact CE1-CG 4.16Å; E4349-R4352 IonicContact OE1-CZ 3.9Å; E4349-R4352 IonicContact OE1-NH1 3.52Å; E4349-R4352 PolarHBondContact OE1-NH1 3.09Å; E4349-R4352 IonicContact OE1-NH2 2.69Å; E4349-R4352 PolarHBondContact OE1-NH2 2.89Å; E4349-L4392 HydrophobicContact CG-CD1 4.05Å; E4349-L4392 HydrophobicContact CG-CD2 3.75Å; E4349-L4392 HydrophobicContact CG-CG 4.39Å |
| 4350 | P | 83 | Confident | 86.1 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 7% | 0.071 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 145.9 | 177.2 | -20.4 | 29.4 | 0 | 0 | 0 | 112.4 | Y4347 T4348 N4390 L4392 | Y4347-P4350 WeakPolarHBondContact OH-CD 3.38Å; T4348-P4350 WeakPolarHBondContact O-CD 3.38Å; P4350-N4390 VanDerWaalsContact CG-C 3.49Å; P4350-N4390 WeakPolarHBondContact CG-O 3.25Å; P4350-L4392 HydrophobicContact CB-CG 4.38Å; P4350-L4392 HydrophobicContact CG-CG 4.2Å; P4350-L4392 WeakPolarHBondContact O-CD1 3.37Å |
| 4351 | A | 84.2 | Confident | 86.1 | Confident | 39 Ų | 39 | 63 Ų | 63 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 150.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N4353 S4411 D4412 | A4351-N4353 PolarHBondContact O-N 3.42Å; A4351-N4353 VanDerWaalsContact O-N 3.16Å; A4351-S4411 CarbonylContact O-C 3.58Å; A4351-S4411 VanDerWaalsContact O-CA 3.25Å; A4351-S4411 WeakPolarHBondContact O-CA 3.09Å; A4351-D4412 VanDerWaalsContact CA-OD1 3.3Å; A4351-D4412 WeakPolarHBondContact CA-OD1 3.36Å; A4351-D4412 WeakPolarHBondContact CB-OD1 3.42Å; A4351-D4412 PolarHBondContact N-OD1 3.49Å; A4351-D4412 PolarHBondContact O-N 3.11Å |
| 4352 | R | 87.5 | Confident | 86.1 | Confident | 113 Ų | 113 | 61.2 Ų | 61.2 | 43% | 0.426 | 32% | 0.316 | S | S | . | . | trans | -89.1 | 40.1 | -179.3 | -64.9 | 173.9 | -176.9 | 72 | 4.9 | 112.2 | E4349 V4354 I4355 L4392 E4394 A4410 | E4349-R4352 IonicContact OE1-CZ 3.9Å; E4349-R4352 IonicContact OE1-NH1 3.52Å; E4349-R4352 PolarHBondContact OE1-NH1 3.09Å; E4349-R4352 IonicContact OE1-NH2 2.69Å; E4349-R4352 PolarHBondContact OE1-NH2 2.89Å; R4352-V4354 VanDerWaalsContact C-N 3.33Å; R4352-I4355 HydrophobicContact CB-CD1 4.45Å; R4352-L4392 HydrophobicContact CG-CD1 4.05Å; R4352-E4394 IonicContact CZ-OE1 3.8Å; R4352-E4394 IonicContact NE-OE1 3.68Å; R4352-E4394 PolarHBondContact NE-OE1 2.88Å; R4352-E4394 IonicContact NE-OE2 2.61Å; R4352-E4394 PolarHBondContact NE-OE2 2.79Å; R4352-E4394 IonicContact NH2-OE1 2.71Å; R4352-E4394 PolarHBondContact NH2-OE1 2.92Å; R4352-A4410 HydrophobicContact CG-CB 4.31Å | ||
| 4353 | N | 88.3 | Confident | 85.9 | Confident | 121 Ų | 121 | 64.5 Ų | 64.5 | 65% | 0.647 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -68.9 | -35.6 | -177.1 | -68 | -13 | 0 | 0 | 0 | 111.8 | A4351 S4411 D4412 | A4351-N4353 PolarHBondContact O-N 3.42Å; A4351-N4353 VanDerWaalsContact O-N 3.16Å; N4353-S4411 PolarHBondContact N-O 3.28Å; N4353-D4412 VanDerWaalsContact CB-O 3.24Å; N4353-D4412 WeakPolarHBondContact CB-O 3.41Å; N4353-D4412 PolarHBondContact ND2-O 2.63Å |
| 4354 | V | 88.7 | Confident | 85.7 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 14% | 0.139 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123.6 | 177 | -177 | 0 | 0 | 0 | 0 | 109.1 | R4352 K4356 A4410 S4411 T4414 V4417 | R4352-V4354 VanDerWaalsContact C-N 3.33Å; V4354-K4356 HydrophobicContact CG1-CG 4.19Å; V4354-A4410 WeakPolarHBondContact O-CA 3.28Å; V4354-S4411 PolarHBondContact N-O 3.28Å; V4354-S4411 PolarHBondContact O-N 3.33Å; V4354-S4411 VanDerWaalsContact O-N 3.1Å; V4354-T4414 WeakPolarHBondContact CG2-OG1 3.35Å; V4354-V4417 HydrophobicContact CB-CG2 4.23Å; V4354-V4417 HydrophobicContact CG1-CG2 4.21Å |
| 4355 | I | 90.1 | Very high | 85.6 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 46% | 0.462 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 124.4 | 176.7 | -53 | 177 | 0 | 0 | 0 | 107.7 | R4352 T4408 A4409 A4410 | R4352-I4355 HydrophobicContact CB-CD1 4.45Å; I4355-T4408 HydrophobicContact CG2-CG2 4.03Å; I4355-A4409 CarbonylContact C-O 3.24Å; I4355-A4409 WeakPolarHBondContact CA-O 3.35Å; I4355-A4410 HydrophobicContact CG1-CB 3.98Å |
| 4356 | K | 89.3 | Confident | 85.8 | Confident | 62 Ų | 62 | 63 Ų | 63 | 27% | 0.27 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 126.3 | 177.4 | -67.4 | -67.1 | -176.8 | 178.1 | 0 | 110.6 | V4354 T4408 A4409 V4417 L4421 | V4354-K4356 HydrophobicContact CG1-CG 4.19Å; K4356-T4408 CarbonylContact O-C 3.57Å; K4356-T4408 WeakPolarHBondContact O-CA 3.34Å; K4356-A4409 PolarHBondContact N-O 3.27Å; K4356-A4409 PolarHBondContact O-N 2.98Å; K4356-V4417 HydrophobicContact CB-CG1 3.75Å; K4356-V4417 HydrophobicContact CG-CG1 3.65Å; K4356-L4421 HydrophobicContact CB-CD1 3.96Å |
| 4357 | P | 88.8 | Confident | 86 | Confident | 79 Ų | 79 | 59.8 Ų | 59.8 | 51% | 0.513 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 141.6 | 170.5 | 29.6 | -33.4 | 0 | 0 | 0 | 110 | M4407 | P4357-M4407 CarbonylContact C-O 3.52Å; P4357-M4407 WeakPolarHBondContact CA-O 3.27Å |
| 4358 | F | 88.2 | Confident | 86 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 6% | 0.057 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 142.6 | 176.4 | -167.8 | -103.2 | 0 | 0 | 0 | 109.7 | F4360 M4407 L4421 F4424 L4428 | F4358-F4360 HydrophobicContact CD1-CD1 4.17Å; F4358-F4360 HydrophobicContact CE1-CB 4.28Å; F4358-F4360 HydrophobicContact CE1-CD1 4.12Å; F4358-M4407 HydrophobicContact CB-CG 4.19Å; F4358-M4407 HydrophobicContact CD1-SD 4.45Å; F4358-M4407 PolarHBondContact N-O 3.14Å; F4358-M4407 WeakPolarHBondContact O-CG 3.2Å; F4358-M4407 PolarHBondContact O-N 2.78Å; F4358-M4407 VanDerWaalsContact O-O 3.11Å; F4358-L4421 HydrophobicContact CB-CD1 4.47Å; F4358-L4421 HydrophobicContact CB-CD2 3.87Å; F4358-L4421 HydrophobicContact CD1-CD2 4.2Å; F4358-L4421 HydrophobicContact CD2-CB 4.32Å; F4358-L4421 HydrophobicContact CD2-CD1 4.06Å; F4358-L4421 HydrophobicContact CD2-CD2 3.56Å; F4358-L4421 HydrophobicContact CD2-CG 4.18Å; F4358-L4421 HydrophobicContact CE2-CB 4.34Å; F4358-L4421 HydrophobicContact CE2-CD2 4.11Å; F4358-L4421 HydrophobicContact CG-CD2 3.59Å; F4358-F4424 HydrophobicContact CD1-CD1 4.03Å; F4358-F4424 HydrophobicContact CD1-CE1 4.13Å; F4358-F4424 AromaticContact CE1-CD1 3.35Å; F4358-F4424 HydrophobicContact CE1-CD1 3.35Å; F4358-F4424 AromaticContact CE1-CE1 3.56Å; F4358-F4424 HydrophobicContact CE1-CE1 3.56Å; F4358-F4424 AromaticContact CZ-CD1 3.92Å; F4358-F4424 HydrophobicContact CZ-CD1 3.92Å; F4358-F4424 HydrophobicContact CZ-CE1 4.48Å; F4358-L4428 HydrophobicContact CE1-CD1 3.8Å; F4358-L4428 HydrophobicContact CZ-CD1 3.92Å |
| 4359 | R | 89.1 | Confident | 86.1 | Confident | 94 Ų | 94 | 56.4 Ų | 56.4 | 36% | 0.355 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 137.9 | -178.4 | 174.3 | 176.3 | -71.9 | -171 | -6.2 | 109.5 | I4404 V4405 D4406 D4447 N4450 | R4359-I4404 HydrophobicContact CG-CG2 3.89Å; R4359-V4405 WeakPolarHBondContact CA-O 3.33Å; R4359-D4406 IonicContact CZ-OD1 2.84Å; R4359-D4406 VanDerWaalsContact CZ-OD1 3.22Å; R4359-D4406 IonicContact CZ-OD2 3.21Å; R4359-D4406 IonicContact NE-OD1 3.69Å; R4359-D4406 PolarHBondContact NE-OD1 2.95Å; R4359-D4406 IonicContact NE-OD2 2.81Å; R4359-D4406 VanDerWaalsContact NH2-CG 3.27Å; R4359-D4406 IonicContact NH2-OD1 3.77Å; R4359-D4406 PolarHBondContact NH2-OD1 2.93Å; R4359-D4406 IonicContact NH2-OD2 3.82Å; R4359-D4406 PolarHBondContact NH2-OD2 3.46Å; R4359-D4447 WeakPolarHBondContact CD-OD2 3.3Å; R4359-D4447 HydrophobicContact CG-CB 4.47Å; R4359-N4450 PolarHBondContact O-OD1 2.79Å; R4359-N4450 VanDerWaalsContact O-OD1 3.11Å |
| 4360 | F | 89.5 | Confident | 86.2 | Confident | 3 Ų | 3 | 56.8 Ų | 56.8 | 1% | 0.013 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 168.8 | 168.4 | 67.8 | -84.2 | 0 | 0 | 0 | 110.6 | F4358 V4362 I4380 V4405 M4407 F4424 L4428 A4444 | F4358-F4360 HydrophobicContact CD1-CD1 4.17Å; F4358-F4360 HydrophobicContact CE1-CB 4.28Å; F4358-F4360 HydrophobicContact CE1-CD1 4.12Å; F4360-V4362 HydrophobicContact CD2-CG2 3.99Å; F4360-V4362 HydrophobicContact CE2-CG2 3.51Å; F4360-I4380 HydrophobicContact CZ-CD1 4.43Å; F4360-I4380 HydrophobicContact CZ-CG2 4.02Å; F4360-V4405 HydrophobicContact CD1-CB 4.03Å; F4360-V4405 HydrophobicContact CD1-CG1 4.33Å; F4360-V4405 HydrophobicContact CD2-CB 4.35Å; F4360-V4405 HydrophobicContact CD2-CG2 4.34Å; F4360-V4405 HydrophobicContact CE1-CB 3.66Å; F4360-V4405 HydrophobicContact CE1-CG1 3.56Å; F4360-V4405 HydrophobicContact CE1-CG2 4.32Å; F4360-V4405 HydrophobicContact CE2-CB 4.02Å; F4360-V4405 HydrophobicContact CE2-CG1 4.47Å; F4360-V4405 HydrophobicContact CE2-CG2 3.81Å; F4360-V4405 HydrophobicContact CG-CB 4.37Å; F4360-V4405 HydrophobicContact CZ-CB 3.66Å; F4360-V4405 HydrophobicContact CZ-CG1 3.65Å; F4360-V4405 HydrophobicContact CZ-CG2 3.8Å; F4360-V4405 PolarHBondContact N-O 2.84Å; F4360-V4405 VanDerWaalsContact N-O 3.09Å; F4360-V4405 PolarHBondContact O-N 2.97Å; F4360-M4407 HydrophobicContact CD1-SD 4.23Å; F4360-M4407 HydrophobicContact CE1-SD 3.64Å; F4360-F4424 AromaticContact CD1-CE1 3.94Å; F4360-F4424 HydrophobicContact CD1-CE1 3.94Å; F4360-F4424 HydrophobicContact CD1-CZ 4.42Å; F4360-F4424 HydrophobicContact CE1-CE1 4.05Å; F4360-F4424 HydrophobicContact CE1-CZ 4.28Å; F4360-F4424 HydrophobicContact CG-CE1 4.43Å; F4360-F4424 HydrophobicContact CZ-CZ 4.42Å; F4360-L4428 HydrophobicContact CB-CD1 3.62Å; F4360-L4428 HydrophobicContact CB-CD2 4.27Å; F4360-L4428 HydrophobicContact CD2-CD2 4.03Å; F4360-L4428 HydrophobicContact CG-CD1 4.15Å; F4360-L4428 HydrophobicContact CG-CD2 4.28Å; F4360-A4444 HydrophobicContact CD2-CB 3.8Å; F4360-A4444 HydrophobicContact CE2-CB 3.74Å |
| 4361 | K | 89.1 | Confident | 86.2 | Confident | 59 Ų | 59 | 61.8 Ų | 61.8 | 26% | 0.257 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 144.1 | -178.1 | 162.8 | 171.6 | 158.2 | 158.9 | 0 | 109.8 | S4402 I4404 A4444 S4445 D4447 | K4361-S4402 WeakPolarHBondContact CE-OG 3.22Å; K4361-S4402 VanDerWaalsContact NZ-CB 3.3Å; K4361-S4402 PolarHBondContact NZ-OG 3.01Å; K4361-I4404 HydrophobicContact CB-CD1 4.02Å; K4361-I4404 HydrophobicContact CG-CD1 4.4Å; K4361-A4444 CarbonylContact O-C 3.52Å; K4361-A4444 WeakPolarHBondContact O-CA 3.13Å; K4361-S4445 PolarHBondContact N-O 3.46Å; K4361-S4445 PolarHBondContact O-N 3.33Å; K4361-D4447 HydrophobicContact CB-CB 4.3Å |
| 4362 | V | 90 | Very high | 86.3 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131.1 | 170.2 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | F4360 G4364 F4376 S4402 I4403 V4405 F4435 Y4442 T4443 A4444 | F4360-V4362 HydrophobicContact CD2-CG2 3.99Å; F4360-V4362 HydrophobicContact CE2-CG2 3.51Å; V4362-G4364 PolarHBondContact O-N 3.15Å; V4362-F4376 HydrophobicContact CB-CZ 4.38Å; V4362-F4376 HydrophobicContact CG1-CZ 4Å; V4362-S4402 CarbonylContact O-C 3.54Å; V4362-I4403 HydrophobicContact CB-CB 4.19Å; V4362-I4403 HydrophobicContact CB-CG2 4.42Å; V4362-I4403 PolarHBondContact N-O 3.36Å; V4362-I4403 PolarHBondContact O-N 3.46Å; V4362-V4405 HydrophobicContact CG2-CG2 3.79Å; V4362-F4435 HydrophobicContact CG1-CZ 4.07Å; V4362-F4435 HydrophobicContact CG2-CZ 4.28Å; V4362-Y4442 HydrophobicContact CG1-CD1 4.01Å; V4362-Y4442 HydrophobicContact CG1-CG 4.21Å; V4362-T4443 WeakPolarHBondContact CA-O 3.14Å; V4362-A4444 HydrophobicContact CG2-CB 4.04Å |
| 4363 | T | 85 | Confident | 86.3 | Confident | 69 Ų | 69 | 59 Ų | 59 | 42% | 0.423 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 116.6 | 175.2 | 50 | 0 | 0 | 0 | 0 | 110 | Y4442 T4443 | T4363-Y4442 WeakPolarHBondContact O-CD1 3.4Å; T4363-T4443 PolarHBondContact N-O 3.3Å; T4363-T4443 PolarHBondContact OG1-N 2.87Å; T4363-T4443 PolarHBondContact OG1-O 3.24Å |
| 4364 | G | 82.4 | Confident | 86.2 | Confident | 37 Ų | 37 | 55.3 Ų | 55.3 | 38% | 0.381 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.9 | 173.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V4362 | V4362-G4364 PolarHBondContact O-N 3.15Å |
| 4365 | N | 82.7 | Confident | 86.2 | Confident | 82 Ų | 82 | 54.4 Ų | 54.4 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 119.7 | 175.3 | -177.3 | -33.9 | 0 | 0 | 0 | 110.3 | D4367 N4368 M4369 | N4365-D4367 PolarHBondContact OD1-N 3.01Å; N4365-N4368 HydrophobicContact CB-CB 4.17Å; N4365-N4368 PolarHBondContact O-N 2.66Å; N4365-N4368 PolarHBondContact OD1-N 2.78Å; N4365-M4369 PolarHBondContact O-N 2.79Å |
| 4366 | Y | 83.1 | Confident | 86.2 | Confident | 39 Ų | 39 | 50.1 Ų | 50.1 | 15% | 0.153 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.5 | -41.6 | -179.8 | -178.3 | -94.8 | 0 | 0 | 0 | 113.4 | N4368 M4369 L4370 L4398 N4399 K4400 | Y4366-N4368 PolarHBondContact O-N 2.88Å; Y4366-M4369 HydrophobicContact CD2-CE 3.66Å; Y4366-M4369 HydrophobicContact CE2-CE 3.79Å; Y4366-M4369 HydrophobicContact CG-CE 4.46Å; Y4366-M4369 PolarHBondContact O-N 2.88Å; Y4366-L4370 HydrophobicContact CD1-CD1 3.77Å; Y4366-L4370 HydrophobicContact CD1-CG 4.42Å; Y4366-L4370 HydrophobicContact CE1-CD1 3.42Å; Y4366-L4370 VanDerWaalsContact CE1-CD1 3.42Å; Y4366-L4370 HydrophobicContact CE1-CG 3.95Å; Y4366-L4370 PolarHBondContact O-N 3.07Å; Y4366-L4370 VanDerWaalsContact O-N 3.1Å; Y4366-L4398 HydrophobicContact CE2-CB 4.08Å; Y4366-L4398 PolarHBondContact OH-O 3.11Å; Y4366-N4399 VanDerWaalsContact CD2-O 3.29Å; Y4366-N4399 WeakPolarHBondContact CD2-O 3.49Å; Y4366-K4400 HydrophobicContact CD1-CB 3.79Å; Y4366-K4400 HydrophobicContact CD1-CD 4.32Å; Y4366-K4400 HydrophobicContact CD1-CG 3.8Å; Y4366-K4400 HydrophobicContact CE1-CB 3.91Å; Y4366-K4400 HydrophobicContact CE1-CG 4.33Å; Y4366-K4400 HydrophobicContact CG-CB 4.16Å; Y4366-K4400 HydrophobicContact CG-CG 4.25Å |
| 4367 | D | 82.3 | Confident | 86.3 | Confident | 83 Ų | 83 | 49.2 Ų | 49.2 | 44% | 0.444 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -69 | -35.3 | -177.1 | -63.6 | -35.4 | 0 | 0 | 0 | 110.9 | N4365 M4369 K4400 | N4365-D4367 PolarHBondContact OD1-N 3.01Å; D4367-M4369 VanDerWaalsContact C-N 3.33Å; D4367-M4369 PolarHBondContact O-N 2.78Å; D4367-K4400 IonicContact OD1-NZ 2.96Å; D4367-K4400 PolarHBondContact OD1-NZ 3.31Å; D4367-K4400 IonicContact OD2-NZ 3.04Å; D4367-K4400 PolarHBondContact OD2-NZ 2.89Å |
| 4368 | N | 80.3 | Confident | 86.3 | Confident | 98 Ų | 98 | 45.6 Ų | 45.6 | 52% | 0.524 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -71.7 | -26.3 | 174.5 | -69.9 | -0.1 | 0 | 0 | 0 | 113.3 | N4365 Y4366 Q4371 | N4365-N4368 HydrophobicContact CB-CB 4.17Å; N4365-N4368 PolarHBondContact O-N 2.66Å; N4365-N4368 PolarHBondContact OD1-N 2.78Å; Y4366-N4368 PolarHBondContact O-N 2.88Å; N4368-Q4371 WeakPolarHBondContact O-CG 3.38Å; N4368-Q4371 PolarHBondContact O-NE2 3.37Å; N4368-Q4371 VanDerWaalsContact O-NE2 3.08Å |
| 4369 | M | 85.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -81 | -29.6 | 179.5 | 176.2 | -80.9 | -65 | 0 | 0 | 112.5 | N4365 Y4366 D4367 Q4371 Y4372 I4373 F4376 L4398 I4403 | N4365-M4369 PolarHBondContact O-N 2.79Å; Y4366-M4369 HydrophobicContact CD2-CE 3.66Å; Y4366-M4369 HydrophobicContact CE2-CE 3.79Å; Y4366-M4369 HydrophobicContact CG-CE 4.46Å; Y4366-M4369 PolarHBondContact O-N 2.88Å; D4367-M4369 VanDerWaalsContact C-N 3.33Å; D4367-M4369 PolarHBondContact O-N 2.78Å; M4369-Q4371 PolarHBondContact O-N 3.29Å; M4369-Q4371 VanDerWaalsContact O-N 3.11Å; M4369-Y4372 CarbonylContact O-C 3.6Å; M4369-Y4372 VanDerWaalsContact O-C 3.29Å; M4369-Y4372 WeakPolarHBondContact O-CA 3.44Å; M4369-Y4372 PolarHBondContact O-N 2.96Å; M4369-I4373 PolarHBondContact O-N 3.29Å; M4369-I4373 HydrophobicContact SD-CG1 4.5Å; M4369-F4376 HydrophobicContact CG-CB 3.91Å; M4369-F4376 HydrophobicContact CG-CD1 4.08Å; M4369-F4376 HydrophobicContact CG-CD2 3.31Å; M4369-F4376 HydrophobicContact CG-CE1 4.41Å; M4369-F4376 HydrophobicContact CG-CE2 3.72Å; M4369-F4376 HydrophobicContact CG-CG 3.5Å; M4369-F4376 HydrophobicContact CG-CZ 4.25Å; M4369-F4376 HydrophobicContact SD-CB 3.84Å; M4369-F4376 HydrophobicContact SD-CD1 4.02Å; M4369-F4376 HydrophobicContact SD-CD2 4.24Å; M4369-F4376 HydrophobicContact SD-CG 3.78Å; M4369-L4398 HydrophobicContact CE-CB 4.07Å; M4369-L4398 HydrophobicContact CE-CD1 3.63Å; M4369-L4398 HydrophobicContact CE-CG 4.41Å; M4369-L4398 HydrophobicContact SD-CD1 3.73Å; M4369-I4403 HydrophobicContact CB-CD1 4.18Å; M4369-I4403 HydrophobicContact CE-CG2 4.02Å; M4369-I4403 HydrophobicContact CG-CD1 4.39Å |
| 4370 | L | 83.1 | Confident | 86.4 | Confident | 77 Ų | 77 | 40.7 Ų | 40.7 | 40% | 0.403 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -50.4 | -38 | -176.3 | -106.8 | 153.7 | 0 | 0 | 0 | 114.3 | Y4366 Y4372 I4373 | Y4366-L4370 HydrophobicContact CD1-CD1 3.77Å; Y4366-L4370 HydrophobicContact CD1-CG 4.42Å; Y4366-L4370 HydrophobicContact CE1-CD1 3.42Å; Y4366-L4370 VanDerWaalsContact CE1-CD1 3.42Å; Y4366-L4370 HydrophobicContact CE1-CG 3.95Å; Y4366-L4370 PolarHBondContact O-N 3.07Å; Y4366-L4370 VanDerWaalsContact O-N 3.1Å; L4370-Y4372 PolarHBondContact O-N 3.4Å; L4370-I4373 WeakPolarHBondContact O-CB 3.48Å; L4370-I4373 PolarHBondContact O-N 3.14Å |
| 4371 | Q | 83.2 | Confident | 86.5 | Confident | 117 Ų | 117 | 41 Ų | 41 | 55% | 0.547 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -65.5 | -21.4 | 176.3 | 65.6 | -177 | -34.1 | 0 | 0 | 113.7 | K4337 N4368 M4369 | K4337-Q4371 PolarHBondContact NZ-O 3.41Å; K4337-Q4371 VanDerWaalsContact NZ-O 3.09Å; N4368-Q4371 WeakPolarHBondContact O-CG 3.38Å; N4368-Q4371 PolarHBondContact O-NE2 3.37Å; N4368-Q4371 VanDerWaalsContact O-NE2 3.08Å; M4369-Q4371 PolarHBondContact O-N 3.29Å; M4369-Q4371 VanDerWaalsContact O-N 3.11Å |
| 4372 | Y | 86.9 | Confident | 86.5 | Confident | 47 Ų | 47 | 38.2 Ų | 38.2 | 18% | 0.184 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -115 | 25.8 | -179.5 | -52.2 | -51.6 | 0 | 0 | 0 | 111.9 | N4272 M4369 L4370 D4374 E4375 F4376 V4437 | N4272-Y4372 HydrophobicContact CB-CD1 3.81Å; N4272-Y4372 HydrophobicContact CB-CE1 3.73Å; N4272-Y4372 WeakPolarHBondContact ND2-CE1 3.29Å; M4369-Y4372 CarbonylContact O-C 3.6Å; M4369-Y4372 VanDerWaalsContact O-C 3.29Å; M4369-Y4372 WeakPolarHBondContact O-CA 3.44Å; M4369-Y4372 PolarHBondContact O-N 2.96Å; L4370-Y4372 PolarHBondContact O-N 3.4Å; Y4372-D4374 VanDerWaalsContact C-N 3.29Å; Y4372-D4374 PolarHBondContact O-N 3.29Å; Y4372-E4375 VanDerWaalsContact CA-OE2 3.26Å; Y4372-E4375 WeakPolarHBondContact CA-OE2 3.46Å; Y4372-E4375 CarbonylContact O-C 3.52Å; Y4372-E4375 WeakPolarHBondContact O-CB 3.39Å; Y4372-E4375 PolarHBondContact O-N 3.5Å; Y4372-F4376 WeakPolarHBondContact O-CB 3.28Å; Y4372-F4376 PolarHBondContact O-N 2.88Å; Y4372-V4437 HydrophobicContact CG-CG1 4.47Å |
| 4373 | I | 87.1 | Confident | 86.4 | Confident | 47 Ų | 47 | 38.8 Ų | 38.8 | 24% | 0.241 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.5 | -39.3 | -171.2 | -169 | 165.4 | 0 | 0 | 0 | 113.6 | M4369 L4370 F4376 K4377 L4398 | M4369-I4373 PolarHBondContact O-N 3.29Å; M4369-I4373 HydrophobicContact SD-CG1 4.5Å; L4370-I4373 WeakPolarHBondContact O-CB 3.48Å; L4370-I4373 PolarHBondContact O-N 3.14Å; I4373-F4376 PolarHBondContact O-N 3.42Å; I4373-K4377 WeakPolarHBondContact O-CG 3.46Å; I4373-K4377 PolarHBondContact O-N 2.88Å; I4373-L4398 HydrophobicContact CG1-CD1 4.02Å |
| 4374 | D | 86.3 | Confident | 86.6 | Confident | 42 Ų | 42 | 35.6 Ų | 35.6 | 23% | 0.225 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -74.2 | -41.3 | 179.7 | -66.6 | -50.9 | 0 | 0 | 0 | 111.4 | T4312 K4337 Y4372 F4376 K4377 A4378 | T4312-D4374 HydrophobicContact CG2-CB 3.87Å; T4312-D4374 PolarHBondContact OG1-O 3.22Å; K4337-D4374 HydrophobicContact CD-CB 4.33Å; Y4372-D4374 VanDerWaalsContact C-N 3.29Å; Y4372-D4374 PolarHBondContact O-N 3.29Å; D4374-F4376 VanDerWaalsContact C-N 3.27Å; D4374-F4376 PolarHBondContact O-N 3.02Å; D4374-K4377 PolarHBondContact O-N 2.81Å; D4374-A4378 WeakPolarHBondContact O-CB 3.47Å; D4374-A4378 PolarHBondContact O-N 3.47Å |
| 4375 | E | 89.2 | Confident | 86.8 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 2% | 0.023 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -37.3 | 172.1 | -59.9 | 91.5 | 145.6 | 0 | 0 | 111.6 | C4270 S4273 T4312 K4337 Y4372 A4379 V4437 | C4270-E4375 HydrophobicContact CB-CG 4.19Å; S4273-E4375 WeakPolarHBondContact OG-CG 3.45Å; T4312-E4375 HydrophobicContact CG2-CG 4.18Å; T4312-E4375 WeakPolarHBondContact OG1-CA 3.33Å; K4337-E4375 IonicContact NZ-OE1 2.93Å; K4337-E4375 PolarHBondContact NZ-OE1 2.68Å; K4337-E4375 IonicContact NZ-OE2 2.68Å; K4337-E4375 PolarHBondContact NZ-OE2 3.29Å; Y4372-E4375 VanDerWaalsContact CA-OE2 3.26Å; Y4372-E4375 WeakPolarHBondContact CA-OE2 3.46Å; Y4372-E4375 CarbonylContact O-C 3.52Å; Y4372-E4375 WeakPolarHBondContact O-CB 3.39Å; Y4372-E4375 PolarHBondContact O-N 3.5Å; E4375-A4379 WeakPolarHBondContact O-CB 3.35Å; E4375-A4379 PolarHBondContact O-N 2.91Å; E4375-V4437 HydrophobicContact CB-CG1 3.83Å |
| 4376 | F | 90.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.1 | -44.6 | 178 | -161.3 | -91.3 | 0 | 0 | 0 | 112.2 | V4362 M4369 Y4372 I4373 D4374 A4379 I4380 L4398 I4403 F4435 V4437 Y4442 | V4362-F4376 HydrophobicContact CB-CZ 4.38Å; V4362-F4376 HydrophobicContact CG1-CZ 4Å; M4369-F4376 HydrophobicContact CG-CB 3.91Å; M4369-F4376 HydrophobicContact CG-CD1 4.08Å; M4369-F4376 HydrophobicContact CG-CD2 3.31Å; M4369-F4376 HydrophobicContact CG-CE1 4.41Å; M4369-F4376 HydrophobicContact CG-CE2 3.72Å; M4369-F4376 HydrophobicContact CG-CG 3.5Å; M4369-F4376 HydrophobicContact CG-CZ 4.25Å; M4369-F4376 HydrophobicContact SD-CB 3.84Å; M4369-F4376 HydrophobicContact SD-CD1 4.02Å; M4369-F4376 HydrophobicContact SD-CD2 4.24Å; M4369-F4376 HydrophobicContact SD-CG 3.78Å; Y4372-F4376 WeakPolarHBondContact O-CB 3.28Å; Y4372-F4376 PolarHBondContact O-N 2.88Å; I4373-F4376 PolarHBondContact O-N 3.42Å; D4374-F4376 VanDerWaalsContact C-N 3.27Å; D4374-F4376 PolarHBondContact O-N 3.02Å; F4376-A4379 PolarHBondContact O-N 3.46Å; F4376-I4380 HydrophobicContact CD1-CD1 3.74Å; F4376-I4380 HydrophobicContact CD1-CG1 4.49Å; F4376-I4380 HydrophobicContact CE1-CD1 3.55Å; F4376-I4380 HydrophobicContact CE1-CG1 4.38Å; F4376-I4380 PolarHBondContact O-N 3.34Å; F4376-I4380 VanDerWaalsContact O-N 3.12Å; F4376-L4398 HydrophobicContact CD1-CD1 3.66Å; F4376-L4398 HydrophobicContact CD1-CD2 4.13Å; F4376-L4398 HydrophobicContact CE1-CD1 4.33Å; F4376-L4398 HydrophobicContact CE1-CD2 4.14Å; F4376-L4398 HydrophobicContact CG-CD1 4.45Å; F4376-I4403 HydrophobicContact CE1-CG2 3.77Å; F4376-I4403 HydrophobicContact CE2-CD1 4.33Å; F4376-I4403 HydrophobicContact CZ-CD1 3.98Å; F4376-I4403 HydrophobicContact CZ-CG2 3.94Å; F4376-F4435 HydrophobicContact CD2-CE2 4.2Å; F4376-F4435 HydrophobicContact CE1-CE2 4.39Å; F4376-F4435 HydrophobicContact CE1-CZ 4.32Å; F4376-F4435 AromaticContact CE2-CE2 3.75Å; F4376-F4435 HydrophobicContact CE2-CE2 3.75Å; F4376-F4435 HydrophobicContact CE2-CZ 4.29Å; F4376-F4435 AromaticContact CZ-CE2 3.87Å; F4376-F4435 HydrophobicContact CZ-CE2 3.87Å; F4376-F4435 AromaticContact CZ-CZ 3.93Å; F4376-F4435 HydrophobicContact CZ-CZ 3.93Å; F4376-V4437 HydrophobicContact CD2-CB 4.28Å; F4376-V4437 HydrophobicContact CD2-CG1 4.49Å; F4376-V4437 HydrophobicContact CD2-CG2 4.21Å; F4376-Y4442 HydrophobicContact CD2-CD2 4.48Å; F4376-Y4442 HydrophobicContact CD2-CE2 4.23Å; F4376-Y4442 AromaticContact CE2-CD1 3.72Å; F4376-Y4442 HydrophobicContact CE2-CD1 3.72Å; F4376-Y4442 AromaticContact CE2-CD2 3.8Å; F4376-Y4442 HydrophobicContact CE2-CD2 3.8Å; F4376-Y4442 AromaticContact CE2-CE1 3.73Å; F4376-Y4442 HydrophobicContact CE2-CE1 3.73Å; F4376-Y4442 AromaticContact CE2-CE2 3.81Å; F4376-Y4442 HydrophobicContact CE2-CE2 3.81Å; F4376-Y4442 AromaticContact CE2-CG 3.76Å; F4376-Y4442 HydrophobicContact CE2-CG 3.76Å; F4376-Y4442 AromaticContact CE2-CZ 3.78Å; F4376-Y4442 HydrophobicContact CZ-CD1 4.17Å; F4376-Y4442 HydrophobicContact CZ-CE1 4.43Å; F4376-Y4442 HydrophobicContact CZ-CG 4.36Å |
| 4377 | K | 89.7 | Confident | 87 | Confident | 42 Ų | 42 | 37.7 Ų | 37.7 | 18% | 0.183 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -46.2 | 172.5 | -73.8 | 177.4 | -178.6 | 178 | 0 | 111.3 | I4373 D4374 A4379 I4380 Q4381 I4396 L4398 | I4373-K4377 WeakPolarHBondContact O-CG 3.46Å; I4373-K4377 PolarHBondContact O-N 2.88Å; D4374-K4377 PolarHBondContact O-N 2.81Å; K4377-A4379 VanDerWaalsContact C-N 3.31Å; K4377-A4379 PolarHBondContact O-N 3.28Å; K4377-I4380 PolarHBondContact O-N 3.49Å; K4377-Q4381 WeakPolarHBondContact O-CB 3.49Å; K4377-Q4381 VanDerWaalsContact O-CG 3.22Å; K4377-Q4381 WeakPolarHBondContact O-CG 3.48Å; K4377-Q4381 PolarHBondContact O-N 2.89Å; K4377-Q4381 PolarHBondContact O-OE1 3.42Å; K4377-I4396 WeakPolarHBondContact CE-O 3.27Å; K4377-I4396 HydrophobicContact CG-CG2 4.16Å; K4377-L4398 HydrophobicContact CG-CD1 4.21Å |
| 4378 | A | 89.8 | Confident | 87.3 | Confident | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.033 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.7 | -37.7 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | V4310 T4312 D4374 Q4381 S4382 | V4310-A4378 HydrophobicContact CB-CB 4.44Å; V4310-A4378 HydrophobicContact CG1-CB 3.99Å; T4312-A4378 VanDerWaalsContact OG1-CB 3.29Å; T4312-A4378 WeakPolarHBondContact OG1-CB 3.38Å; D4374-A4378 WeakPolarHBondContact O-CB 3.47Å; D4374-A4378 PolarHBondContact O-N 3.47Å; A4378-Q4381 PolarHBondContact O-N 3Å; A4378-S4382 WeakPolarHBondContact O-CB 3.34Å; A4378-S4382 PolarHBondContact O-N 3.39Å; A4378-S4382 PolarHBondContact O-OG 2.99Å |
| 4379 | A | 89.6 | Confident | 87.4 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.5 | -43.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R4274 E4375 F4376 K4377 E4383 F4435 V4437 | R4274-A4379 HydrophobicContact CB-CB 4.02Å; R4274-A4379 PolarHBondContact NH1-O 2.92Å; E4375-A4379 WeakPolarHBondContact O-CB 3.35Å; E4375-A4379 PolarHBondContact O-N 2.91Å; F4376-A4379 PolarHBondContact O-N 3.46Å; K4377-A4379 VanDerWaalsContact C-N 3.31Å; K4377-A4379 PolarHBondContact O-N 3.28Å; A4379-E4383 PolarHBondContact O-N 3.44Å; A4379-E4383 VanDerWaalsContact O-N 3.11Å; A4379-F4435 HydrophobicContact CB-CD2 3.8Å; A4379-F4435 HydrophobicContact CB-CE2 4.26Å; A4379-F4435 HydrophobicContact CB-CG 4.46Å; A4379-V4437 HydrophobicContact CB-CG2 3.43Å; A4379-V4437 VanDerWaalsContact CB-CG2 3.43Å |
| 4380 | I | 90.5 | Very high | 87.4 | Confident | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.015 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.7 | -45.5 | 174.3 | -70.8 | 169.7 | 0 | 0 | 0 | 110.3 | F4360 F4376 K4377 S4382 E4383 L4384 I4396 L4398 V4405 F4435 | F4360-I4380 HydrophobicContact CZ-CD1 4.43Å; F4360-I4380 HydrophobicContact CZ-CG2 4.02Å; F4376-I4380 HydrophobicContact CD1-CD1 3.74Å; F4376-I4380 HydrophobicContact CD1-CG1 4.49Å; F4376-I4380 HydrophobicContact CE1-CD1 3.55Å; F4376-I4380 HydrophobicContact CE1-CG1 4.38Å; F4376-I4380 PolarHBondContact O-N 3.34Å; F4376-I4380 VanDerWaalsContact O-N 3.12Å; K4377-I4380 PolarHBondContact O-N 3.49Å; I4380-S4382 VanDerWaalsContact C-N 3.34Å; I4380-S4382 PolarHBondContact O-N 3.06Å; I4380-E4383 WeakPolarHBondContact O-CB 3.47Å; I4380-E4383 PolarHBondContact O-N 3.49Å; I4380-L4384 HydrophobicContact CG2-CD1 3.7Å; I4380-L4384 HydrophobicContact CG2-CG 4.39Å; I4380-L4384 VanDerWaalsContact O-CG 3.31Å; I4380-L4384 WeakPolarHBondContact O-CG 3.35Å; I4380-L4384 PolarHBondContact O-N 3Å; I4380-I4396 HydrophobicContact CG2-CD1 4.06Å; I4380-L4398 HydrophobicContact CD1-CD2 4.24Å; I4380-V4405 HydrophobicContact CD1-CG1 4.08Å; I4380-V4405 HydrophobicContact CD1-CG2 3.82Å; I4380-F4435 HydrophobicContact CD1-CZ 4.23Å; I4380-F4435 HydrophobicContact CG1-CE1 4.02Å; I4380-F4435 HydrophobicContact CG1-CE2 4.16Å; I4380-F4435 HydrophobicContact CG1-CZ 3.56Å |
| 4381 | Q | 90.4 | Very high | 87.6 | Confident | 9 Ų | 9 | 35 Ų | 35 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67 | -37.6 | -177.6 | -70.3 | 174.7 | -47.2 | 0 | 0 | 112 | V4310 Y4341 K4377 A4378 E4383 L4384 L4385 I4396 | V4310-Q4381 HydrophobicContact CB-CB 4.33Å; V4310-Q4381 HydrophobicContact CG1-CB 4.42Å; V4310-Q4381 HydrophobicContact CG2-CB 3.94Å; Y4341-Q4381 HydrophobicContact CE1-CB 4.35Å; Y4341-Q4381 PolarHBondContact OH-NE2 3.06Å; Y4341-Q4381 PolarHBondContact OH-OE1 3.26Å; K4377-Q4381 WeakPolarHBondContact O-CB 3.49Å; K4377-Q4381 VanDerWaalsContact O-CG 3.22Å; K4377-Q4381 WeakPolarHBondContact O-CG 3.48Å; K4377-Q4381 PolarHBondContact O-N 2.89Å; K4377-Q4381 PolarHBondContact O-OE1 3.42Å; A4378-Q4381 PolarHBondContact O-N 3Å; Q4381-E4383 VanDerWaalsContact C-N 3.35Å; Q4381-L4384 PolarHBondContact O-N 2.88Å; Q4381-L4385 WeakPolarHBondContact O-CB 3.29Å; Q4381-L4385 PolarHBondContact O-N 3.23Å; Q4381-I4396 HydrophobicContact CG-CD1 3.27Å |
| 4382 | S | 89.8 | Confident | 87.8 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.6 | -41.8 | 172.8 | -60.3 | 0 | 0 | 0 | 0 | 111.9 | W4309 V4310 A4378 I4380 L4384 M4386 | W4309-S4382 PolarHBondContact NE1-OG 3.45Å; V4310-S4382 WeakPolarHBondContact CB-OG 3.28Å; V4310-S4382 PolarHBondContact N-OG 2.99Å; V4310-S4382 VanDerWaalsContact N-OG 3.1Å; V4310-S4382 PolarHBondContact O-OG 3.33Å; A4378-S4382 WeakPolarHBondContact O-CB 3.34Å; A4378-S4382 PolarHBondContact O-N 3.39Å; A4378-S4382 PolarHBondContact O-OG 2.99Å; I4380-S4382 VanDerWaalsContact C-N 3.34Å; I4380-S4382 PolarHBondContact O-N 3.06Å; S4382-L4384 VanDerWaalsContact C-N 3.35Å; S4382-L4384 PolarHBondContact O-N 3.44Å; S4382-M4386 WeakPolarHBondContact O-CG 3.48Å; S4382-M4386 PolarHBondContact O-N 3.48Å |
| 4383 | E | 88.2 | Confident | 87.8 | Confident | 12 Ų | 12 | 28.8 Ų | 28.8 | 6% | 0.056 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 176.9 | -170.7 | 58.1 | -150.9 | 0 | 0 | 112.2 | R4274 A4379 I4380 Q4381 M4386 R4387 V4433 | R4274-E4383 IonicContact CZ-OE2 3.28Å; R4274-E4383 VanDerWaalsContact CZ-OE2 3.27Å; R4274-E4383 IonicContact NH1-OE2 3.22Å; R4274-E4383 PolarHBondContact NH1-OE2 3.08Å; R4274-E4383 IonicContact NH2-OE2 2.79Å; R4274-E4383 PolarHBondContact NH2-OE2 3.44Å; A4379-E4383 PolarHBondContact O-N 3.44Å; A4379-E4383 VanDerWaalsContact O-N 3.11Å; I4380-E4383 WeakPolarHBondContact O-CB 3.47Å; I4380-E4383 PolarHBondContact O-N 3.49Å; Q4381-E4383 VanDerWaalsContact C-N 3.35Å; E4383-M4386 WeakPolarHBondContact OE2-CE 3.27Å; E4383-R4387 WeakPolarHBondContact O-CG 3.35Å; E4383-R4387 PolarHBondContact O-N 3.15Å; E4383-R4387 IonicContact OE1-CZ 3.99Å; E4383-R4387 VanDerWaalsContact OE1-CZ 3.28Å; E4383-R4387 IonicContact OE1-NE 3.61Å; E4383-R4387 PolarHBondContact OE1-NE 3.14Å; E4383-R4387 IonicContact OE1-NH2 3.72Å; E4383-R4387 PolarHBondContact OE1-NH2 2.99Å; E4383-V4433 HydrophobicContact CG-CG1 3.81Å |
| 4384 | L | 89.4 | Confident | 87.7 | Confident | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -73.8 | -39.4 | -178.9 | -70.4 | 169.5 | 0 | 0 | 0 | 113 | I4380 Q4381 S4382 M4386 R4387 Y4388 F4393 M4407 F4424 | I4380-L4384 HydrophobicContact CG2-CD1 3.7Å; I4380-L4384 HydrophobicContact CG2-CG 4.39Å; I4380-L4384 VanDerWaalsContact O-CG 3.31Å; I4380-L4384 WeakPolarHBondContact O-CG 3.35Å; I4380-L4384 PolarHBondContact O-N 3Å; Q4381-L4384 PolarHBondContact O-N 2.88Å; S4382-L4384 VanDerWaalsContact C-N 3.35Å; S4382-L4384 PolarHBondContact O-N 3.44Å; L4384-M4386 VanDerWaalsContact C-N 3.29Å; L4384-M4386 PolarHBondContact O-N 3Å; L4384-R4387 PolarHBondContact O-N 3.04Å; L4384-Y4388 PolarHBondContact O-N 3.5Å; L4384-F4393 HydrophobicContact CB-CD2 3.52Å; L4384-F4393 HydrophobicContact CB-CE2 3.73Å; L4384-F4393 HydrophobicContact CB-CG 4.19Å; L4384-F4393 HydrophobicContact CD1-CB 3.9Å; L4384-F4393 HydrophobicContact CD1-CD1 4.21Å; L4384-F4393 HydrophobicContact CD1-CD2 3.98Å; L4384-F4393 HydrophobicContact CD1-CE2 4.44Å; L4384-F4393 HydrophobicContact CD1-CG 3.78Å; L4384-F4393 HydrophobicContact CD2-CD2 4.26Å; L4384-F4393 HydrophobicContact CD2-CE1 4.33Å; L4384-F4393 HydrophobicContact CD2-CE2 3.89Å; L4384-F4393 HydrophobicContact CD2-CZ 3.92Å; L4384-F4393 HydrophobicContact CG-CD2 4.16Å; L4384-F4393 HydrophobicContact CG-CE2 4.25Å; L4384-F4393 HydrophobicContact CG-CG 4.44Å; L4384-M4407 HydrophobicContact CD1-CE 3.4Å; L4384-M4407 VanDerWaalsContact CD1-CE 3.4Å; L4384-M4407 HydrophobicContact CD1-SD 4.09Å; L4384-F4424 HydrophobicContact CD2-CD1 4.22Å; L4384-F4424 HydrophobicContact CD2-CD2 4.16Å; L4384-F4424 HydrophobicContact CD2-CE1 3.78Å; L4384-F4424 HydrophobicContact CD2-CE2 3.72Å; L4384-F4424 HydrophobicContact CD2-CG 4.4Å; L4384-F4424 HydrophobicContact CD2-CZ 3.54Å |
| 4385 | L | 85.6 | Confident | 87.7 | Confident | 26 Ų | 26 | 32 Ų | 32 | 14% | 0.136 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.4 | -40.1 | 176.4 | -179.9 | 64.2 | 0 | 0 | 0 | 111.3 | V4310 Q4381 R4387 | V4310-L4385 HydrophobicContact CG2-CD2 4.33Å; Q4381-L4385 WeakPolarHBondContact O-CB 3.29Å; Q4381-L4385 PolarHBondContact O-N 3.23Å; L4385-R4387 VanDerWaalsContact C-N 3.35Å; L4385-R4387 PolarHBondContact O-N 3.35Å |
| 4386 | M | 84.3 | Confident | 87.6 | Confident | 101 Ų | 101 | 32.4 Ų | 32.4 | 50% | 0.498 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 175.3 | -76.3 | -168.1 | -64.5 | 0 | 0 | 112.9 | W4309 S4382 E4383 L4384 | W4309-M4386 HydrophobicContact CH2-CE 3.84Å; W4309-M4386 HydrophobicContact CH2-SD 3.97Å; W4309-M4386 HydrophobicContact CZ3-CE 4Å; W4309-M4386 HydrophobicContact CZ3-CG 4.07Å; W4309-M4386 HydrophobicContact CZ3-SD 3.52Å; W4309-M4386 VanDerWaalsContact CZ3-SD 3.52Å; S4382-M4386 WeakPolarHBondContact O-CG 3.48Å; S4382-M4386 PolarHBondContact O-N 3.48Å; E4383-M4386 WeakPolarHBondContact OE2-CE 3.27Å; L4384-M4386 VanDerWaalsContact C-N 3.29Å; L4384-M4386 PolarHBondContact O-N 3Å |
| 4387 | R | 86.7 | Confident | 87.5 | Confident | 75 Ų | 75 | 39 Ų | 39 | 28% | 0.283 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -84.2 | -37.6 | -174.8 | -67.9 | 179.1 | -174.8 | -112.8 | 0.1 | 112.7 | E4383 L4384 L4385 S4427 S4432 | E4383-R4387 WeakPolarHBondContact O-CG 3.35Å; E4383-R4387 PolarHBondContact O-N 3.15Å; E4383-R4387 IonicContact OE1-CZ 3.99Å; E4383-R4387 VanDerWaalsContact OE1-CZ 3.28Å; E4383-R4387 IonicContact OE1-NE 3.61Å; E4383-R4387 PolarHBondContact OE1-NE 3.14Å; E4383-R4387 IonicContact OE1-NH2 3.72Å; E4383-R4387 PolarHBondContact OE1-NH2 2.99Å; L4384-R4387 PolarHBondContact O-N 3.04Å; L4385-R4387 VanDerWaalsContact C-N 3.35Å; L4385-R4387 PolarHBondContact O-N 3.35Å; R4387-S4427 PolarHBondContact NH1-OG 2.72Å; R4387-S4432 PolarHBondContact NH2-O 3.1Å |
| 4388 | Y | 88.8 | Confident | 87.4 | Confident | 27 Ų | 27 | 37.6 Ų | 37.6 | 11% | 0.106 | 19% | 0.185 | C | C | . | . | trans | -137.5 | 72 | -173 | -46.2 | -73.4 | 0 | 0 | 0 | 110.9 | L4384 N4390 I4391 F4393 A4420 S4423 F4424 | L4384-Y4388 PolarHBondContact O-N 3.5Å; Y4388-N4390 PolarHBondContact O-N 2.89Å; Y4388-N4390 VanDerWaalsContact O-N 3.12Å; Y4388-I4391 PolarHBondContact O-N 2.85Å; Y4388-I4391 VanDerWaalsContact O-N 3.09Å; Y4388-F4393 AromaticContact CD2-CE2 3.89Å; Y4388-F4393 HydrophobicContact CD2-CE2 3.89Å; Y4388-F4393 AromaticContact CD2-CZ 3.88Å; Y4388-F4393 HydrophobicContact CD2-CZ 3.88Å; Y4388-F4393 HydrophobicContact CG-CE2 4.32Å; Y4388-F4393 HydrophobicContact CG-CZ 4.42Å; Y4388-A4420 HydrophobicContact CD1-CB 3.89Å; Y4388-A4420 HydrophobicContact CE1-CB 4.34Å; Y4388-A4420 HydrophobicContact CG-CB 4.22Å; Y4388-S4423 WeakPolarHBondContact OH-CB 3.36Å; Y4388-S4423 PolarHBondContact OH-OG 3.12Å; Y4388-F4424 HydrophobicContact CE2-CB 3.68Å; Y4388-F4424 AromaticContact CE2-CD2 3.9Å; Y4388-F4424 HydrophobicContact CE2-CD2 3.9Å; Y4388-F4424 HydrophobicContact CE2-CG 4.02Å; Y4388-F4424 WeakPolarHBondContact OH-CA 3.23Å; Y4388-F4424 PolarHBondContact OH-N 3.05Å | ||
| 4389 | P | 82.4 | Confident | 87.2 | Confident | 53 Ų | 53 | 40.5 Ų | 40.5 | 34% | 0.344 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -26.1 | -178.5 | 23.1 | -33.5 | 0 | 0 | 0 | 113.2 | Y4347 I4391 | Y4347-P4389 WeakPolarHBondContact CE2-O 3.26Å; Y4347-P4389 PolarHBondContact OH-O 3.29Å; P4389-I4391 VanDerWaalsContact C-N 3.3Å; P4389-I4391 PolarHBondContact O-N 3.2Å |
| 4390 | N | 84.5 | Confident | 86.6 | Confident | 111 Ų | 111 | 47.3 Ų | 47.3 | 59% | 0.594 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88 | 10 | -179.2 | -57.7 | -16.9 | 0 | 0 | 0 | 113.9 | P4350 Y4388 S4411 | P4350-N4390 VanDerWaalsContact CG-C 3.49Å; P4350-N4390 WeakPolarHBondContact CG-O 3.25Å; Y4388-N4390 PolarHBondContact O-N 2.89Å; Y4388-N4390 VanDerWaalsContact O-N 3.12Å; N4390-S4411 PolarHBondContact O-OG 2.78Å |
| 4391 | I | 88.1 | Confident | 85.7 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 5% | 0.051 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -120.8 | 130.5 | 177.4 | -57.6 | -66.3 | 0 | 0 | 0 | 109.7 | Y4388 P4389 F4393 A4409 V4416 V4417 A4420 | Y4388-I4391 PolarHBondContact O-N 2.85Å; Y4388-I4391 VanDerWaalsContact O-N 3.09Å; P4389-I4391 VanDerWaalsContact C-N 3.3Å; P4389-I4391 PolarHBondContact O-N 3.2Å; I4391-F4393 HydrophobicContact CB-CD2 4.29Å; I4391-F4393 HydrophobicContact CB-CE2 3.86Å; I4391-F4393 HydrophobicContact CB-CZ 4.12Å; I4391-F4393 HydrophobicContact CG2-CD1 4.02Å; I4391-F4393 HydrophobicContact CG2-CD2 3.95Å; I4391-F4393 HydrophobicContact CG2-CE1 3.76Å; I4391-F4393 HydrophobicContact CG2-CE2 3.67Å; I4391-F4393 HydrophobicContact CG2-CG 4.18Å; I4391-F4393 HydrophobicContact CG2-CZ 3.59Å; I4391-A4409 HydrophobicContact CG2-CB 3.91Å; I4391-V4416 HydrophobicContact CD1-CG1 3.55Å; I4391-V4417 HydrophobicContact CD1-CG2 4.47Å; I4391-A4420 HydrophobicContact CD1-CB 3.77Å; I4391-A4420 HydrophobicContact CG1-CB 3.52Å |
| 4392 | L | 86.6 | Confident | 84.7 | Confident | 15 Ų | 15 | 51.3 Ų | 51.3 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 120.8 | 169.6 | -65 | 177.2 | 0 | 0 | 0 | 110.1 | E4349 P4350 R4352 E4394 A4409 A4410 | E4349-L4392 HydrophobicContact CG-CD1 4.05Å; E4349-L4392 HydrophobicContact CG-CD2 3.75Å; E4349-L4392 HydrophobicContact CG-CG 4.39Å; P4350-L4392 HydrophobicContact CB-CG 4.38Å; P4350-L4392 HydrophobicContact CG-CG 4.2Å; P4350-L4392 WeakPolarHBondContact O-CD1 3.37Å; R4352-L4392 HydrophobicContact CG-CD1 4.05Å; L4392-E4394 HydrophobicContact CB-CG 4.23Å; L4392-A4409 CarbonylContact O-C 3.51Å; L4392-A4409 VanDerWaalsContact O-CA 3.31Å; L4392-A4409 WeakPolarHBondContact O-CA 3.3Å; L4392-A4410 HydrophobicContact CB-CB 4.2Å; L4392-A4410 PolarHBondContact N-O 2.93Å; L4392-A4410 PolarHBondContact O-N 3.27Å |
| 4393 | F | 86.9 | Confident | 84.5 | Confident | 18 Ų | 18 | 51.2 Ų | 51.2 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 99.1 | 176.9 | -74.5 | -65.6 | 0 | 0 | 0 | 110.3 | L4384 Y4388 I4391 M4407 T4408 A4409 L4421 | L4384-F4393 HydrophobicContact CB-CD2 3.52Å; L4384-F4393 HydrophobicContact CB-CE2 3.73Å; L4384-F4393 HydrophobicContact CB-CG 4.19Å; L4384-F4393 HydrophobicContact CD1-CB 3.9Å; L4384-F4393 HydrophobicContact CD1-CD1 4.21Å; L4384-F4393 HydrophobicContact CD1-CD2 3.98Å; L4384-F4393 HydrophobicContact CD1-CE2 4.44Å; L4384-F4393 HydrophobicContact CD1-CG 3.78Å; L4384-F4393 HydrophobicContact CD2-CD2 4.26Å; L4384-F4393 HydrophobicContact CD2-CE1 4.33Å; L4384-F4393 HydrophobicContact CD2-CE2 3.89Å; L4384-F4393 HydrophobicContact CD2-CZ 3.92Å; L4384-F4393 HydrophobicContact CG-CD2 4.16Å; L4384-F4393 HydrophobicContact CG-CE2 4.25Å; L4384-F4393 HydrophobicContact CG-CG 4.44Å; Y4388-F4393 AromaticContact CD2-CE2 3.89Å; Y4388-F4393 HydrophobicContact CD2-CE2 3.89Å; Y4388-F4393 AromaticContact CD2-CZ 3.88Å; Y4388-F4393 HydrophobicContact CD2-CZ 3.88Å; Y4388-F4393 HydrophobicContact CG-CE2 4.32Å; Y4388-F4393 HydrophobicContact CG-CZ 4.42Å; I4391-F4393 HydrophobicContact CB-CD2 4.29Å; I4391-F4393 HydrophobicContact CB-CE2 3.86Å; I4391-F4393 HydrophobicContact CB-CZ 4.12Å; I4391-F4393 HydrophobicContact CG2-CD1 4.02Å; I4391-F4393 HydrophobicContact CG2-CD2 3.95Å; I4391-F4393 HydrophobicContact CG2-CE1 3.76Å; I4391-F4393 HydrophobicContact CG2-CE2 3.67Å; I4391-F4393 HydrophobicContact CG2-CG 4.18Å; I4391-F4393 HydrophobicContact CG2-CZ 3.59Å; F4393-M4407 HydrophobicContact CB-CE 3.32Å; F4393-M4407 HydrophobicContact CD1-CE 3.14Å; F4393-M4407 HydrophobicContact CD1-SD 4.25Å; F4393-M4407 HydrophobicContact CE1-CE 4.08Å; F4393-M4407 HydrophobicContact CG-CE 3.49Å; F4393-M4407 VanDerWaalsContact CG-CE 3.49Å; F4393-T4408 WeakPolarHBondContact CA-O 3.38Å; F4393-A4409 HydrophobicContact CD1-CB 3.91Å; F4393-A4409 HydrophobicContact CE1-CB 3.75Å; F4393-L4421 HydrophobicContact CE1-CD2 4.3Å |
| 4394 | E | 85.6 | Confident | 84.5 | Confident | 48 Ų | 48 | 51.9 Ų | 51.9 | 22% | 0.224 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 174.4 | -168.4 | -61.2 | -176.4 | 152.3 | 0 | 0 | 111.5 | R4352 L4392 I4396 T4408 | R4352-E4394 IonicContact CZ-OE1 3.8Å; R4352-E4394 IonicContact NE-OE1 3.68Å; R4352-E4394 PolarHBondContact NE-OE1 2.88Å; R4352-E4394 IonicContact NE-OE2 2.61Å; R4352-E4394 PolarHBondContact NE-OE2 2.79Å; R4352-E4394 IonicContact NH2-OE1 2.71Å; R4352-E4394 PolarHBondContact NH2-OE1 2.92Å; L4392-E4394 HydrophobicContact CB-CG 4.23Å; E4394-I4396 VanDerWaalsContact C-N 3.3Å; E4394-I4396 PolarHBondContact O-N 2.69Å; E4394-T4408 PolarHBondContact N-O 3.08Å; E4394-T4408 PolarHBondContact O-N 3.35Å; E4394-T4408 PolarHBondContact O-OG1 3.21Å |
| 4395 | N | 85.5 | Confident | 84.5 | Confident | 110 Ų | 110 | 51.8 Ų | 51.8 | 59% | 0.588 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 55.4 | 37.4 | 173.9 | -61.1 | -46 | 0 | 0 | 0 | 115.3 | K4397 T4408 | N4395-K4397 PolarHBondContact O-N 3.27Å; N4395-T4408 HydrophobicContact CB-CG2 4.39Å; N4395-T4408 PolarHBondContact ND2-OG1 3.21Å |
| 4396 | I | 87.5 | Confident | 84.7 | Confident | 12 Ų | 12 | 52.3 Ų | 52.3 | 6% | 0.062 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 110.8 | 180 | -55.7 | -172.8 | 0 | 0 | 0 | 110.7 | K4377 I4380 Q4381 E4394 L4398 V4405 D4406 M4407 | K4377-I4396 WeakPolarHBondContact CE-O 3.27Å; K4377-I4396 HydrophobicContact CG-CG2 4.16Å; I4380-I4396 HydrophobicContact CG2-CD1 4.06Å; Q4381-I4396 HydrophobicContact CG-CD1 3.27Å; E4394-I4396 VanDerWaalsContact C-N 3.3Å; E4394-I4396 PolarHBondContact O-N 2.69Å; I4396-L4398 HydrophobicContact CG2-CD2 4.18Å; I4396-V4405 HydrophobicContact CG2-CG1 3.87Å; I4396-D4406 CarbonylContact C-O 3.59Å; I4396-D4406 VanDerWaalsContact CA-O 3.28Å; I4396-D4406 WeakPolarHBondContact CA-O 3.32Å; I4396-M4407 HydrophobicContact CD1-CE 4.48Å; I4396-M4407 HydrophobicContact CG1-CB 4.06Å; I4396-M4407 HydrophobicContact CG1-CE 4.47Å |
| 4397 | K | 87.9 | Confident | 85 | Confident | 138 Ų | 138 | 47.8 Ų | 47.8 | 60% | 0.6 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 132.8 | 171.7 | -62.8 | -177.7 | -177.4 | -178.8 | 0 | 108.9 | N4395 D4406 | N4395-K4397 PolarHBondContact O-N 3.27Å; K4397-D4406 HydrophobicContact CB-CB 4.2Å; K4397-D4406 PolarHBondContact N-O 2.78Å; K4397-D4406 PolarHBondContact O-N 3.22Å |
| 4398 | L | 88 | Confident | 85.1 | Confident | 14 Ų | 14 | 45.3 Ų | 45.3 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 126.3 | 177.9 | -57.3 | 175.2 | 0 | 0 | 0 | 107.3 | Y4366 M4369 I4373 F4376 K4377 I4380 I4396 I4403 I4404 V4405 | Y4366-L4398 HydrophobicContact CE2-CB 4.08Å; Y4366-L4398 PolarHBondContact OH-O 3.11Å; M4369-L4398 HydrophobicContact CE-CB 4.07Å; M4369-L4398 HydrophobicContact CE-CD1 3.63Å; M4369-L4398 HydrophobicContact CE-CG 4.41Å; M4369-L4398 HydrophobicContact SD-CD1 3.73Å; I4373-L4398 HydrophobicContact CG1-CD1 4.02Å; F4376-L4398 HydrophobicContact CD1-CD1 3.66Å; F4376-L4398 HydrophobicContact CD1-CD2 4.13Å; F4376-L4398 HydrophobicContact CE1-CD1 4.33Å; F4376-L4398 HydrophobicContact CE1-CD2 4.14Å; F4376-L4398 HydrophobicContact CG-CD1 4.45Å; K4377-L4398 HydrophobicContact CG-CD1 4.21Å; I4380-L4398 HydrophobicContact CD1-CD2 4.24Å; I4396-L4398 HydrophobicContact CG2-CD2 4.18Å; L4398-I4403 HydrophobicContact CD2-CG2 4.35Å; L4398-I4404 WeakPolarHBondContact CA-O 3.42Å; L4398-V4405 HydrophobicContact CD2-CB 4.3Å; L4398-V4405 HydrophobicContact CD2-CG1 4.13Å; L4398-V4405 HydrophobicContact CD2-CG2 3.75Å |
| 4399 | N | 84.4 | Confident | 85.2 | Confident | 64 Ų | 64 | 44 Ų | 44 | 34% | 0.342 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 150.1 | -179.1 | -54.8 | -60.6 | 0 | 0 | 0 | 111.7 | Y4366 I4404 D4406 | Y4366-N4399 VanDerWaalsContact CD2-O 3.29Å; Y4366-N4399 WeakPolarHBondContact CD2-O 3.49Å; N4399-I4404 HydrophobicContact CB-CB 4.33Å; N4399-I4404 PolarHBondContact N-O 2.93Å; N4399-I4404 PolarHBondContact O-N 3.09Å; N4399-D4406 PolarHBondContact ND2-OD2 2.88Å |
| 4400 | K | 77.5 | Confident | 85.5 | Confident | 145 Ų | 145 | 41.5 Ų | 41.5 | 63% | 0.63 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 133.5 | 178.5 | -169.3 | 166.5 | -174.4 | 148.3 | 0 | 111 | Y4366 D4367 | Y4366-K4400 HydrophobicContact CD1-CB 3.79Å; Y4366-K4400 HydrophobicContact CD1-CD 4.32Å; Y4366-K4400 HydrophobicContact CD1-CG 3.8Å; Y4366-K4400 HydrophobicContact CE1-CB 3.91Å; Y4366-K4400 HydrophobicContact CE1-CG 4.33Å; Y4366-K4400 HydrophobicContact CG-CB 4.16Å; Y4366-K4400 HydrophobicContact CG-CG 4.25Å; D4367-K4400 IonicContact OD1-NZ 2.96Å; D4367-K4400 PolarHBondContact OD1-NZ 3.31Å; D4367-K4400 IonicContact OD2-NZ 3.04Å; D4367-K4400 PolarHBondContact OD2-NZ 2.89Å |
| 4401 | G | 71.2 | Confident | 85.8 | Confident | 44 Ų | 44 | 36.3 Ų | 36.3 | 45% | 0.454 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 144.6 | -150.1 | -175 | 0 | 0 | 0 | 0 | 0 | 111 | I4403 | G4401-I4403 PolarHBondContact O-N 2.87Š|
| 4402 | S | 69.8 | Low | 85.8 | Confident | 51 Ų | 51 | 39.5 Ų | 39.5 | 36% | 0.357 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 87.7 | 157.4 | -60.5 | 0 | 0 | 0 | 0 | 108 | K4361 V4362 I4404 | K4361-S4402 WeakPolarHBondContact CE-OG 3.22Å; K4361-S4402 VanDerWaalsContact NZ-CB 3.3Å; K4361-S4402 PolarHBondContact NZ-OG 3.01Å; V4362-S4402 CarbonylContact O-C 3.54Å; S4402-I4404 WeakPolarHBondContact O-CD1 3.45Å; S4402-I4404 WeakPolarHBondContact O-CG1 3.34Å; S4402-I4404 PolarHBondContact O-N 2.68Å |
| 4403 | I | 85.9 | Confident | 86 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -6.9 | 91.5 | -169.6 | -54.9 | 171 | 0 | 0 | 0 | 112.4 | V4362 M4369 F4376 L4398 G4401 Y4442 | V4362-I4403 HydrophobicContact CB-CB 4.19Å; V4362-I4403 HydrophobicContact CB-CG2 4.42Å; V4362-I4403 PolarHBondContact N-O 3.36Å; V4362-I4403 PolarHBondContact O-N 3.46Å; M4369-I4403 HydrophobicContact CB-CD1 4.18Å; M4369-I4403 HydrophobicContact CE-CG2 4.02Å; M4369-I4403 HydrophobicContact CG-CD1 4.39Å; F4376-I4403 HydrophobicContact CE1-CG2 3.77Å; F4376-I4403 HydrophobicContact CE2-CD1 4.33Å; F4376-I4403 HydrophobicContact CZ-CD1 3.98Å; F4376-I4403 HydrophobicContact CZ-CG2 3.94Å; L4398-I4403 HydrophobicContact CD2-CG2 4.35Å; G4401-I4403 PolarHBondContact O-N 2.87Å; I4403-Y4442 HydrophobicContact CD1-CD1 4.18Å; I4403-Y4442 HydrophobicContact CD1-CE1 3.83Å |
| 4404 | I | 87.5 | Confident | 86.1 | Confident | 25 Ų | 25 | 43.8 Ų | 43.8 | 13% | 0.128 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124.4 | -176.4 | -59.1 | -65.6 | 0 | 0 | 0 | 107.6 | R4359 K4361 L4398 N4399 S4402 | R4359-I4404 HydrophobicContact CG-CG2 3.89Å; K4361-I4404 HydrophobicContact CB-CD1 4.02Å; K4361-I4404 HydrophobicContact CG-CD1 4.4Å; L4398-I4404 WeakPolarHBondContact CA-O 3.42Å; N4399-I4404 HydrophobicContact CB-CB 4.33Å; N4399-I4404 PolarHBondContact N-O 2.93Å; N4399-I4404 PolarHBondContact O-N 3.09Å; S4402-I4404 WeakPolarHBondContact O-CD1 3.45Å; S4402-I4404 WeakPolarHBondContact O-CG1 3.34Å; S4402-I4404 PolarHBondContact O-N 2.68Å |
| 4405 | V | 89.7 | Confident | 86.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 109.6 | -179.3 | -171.9 | 0 | 0 | 0 | 0 | 108.2 | R4359 F4360 V4362 I4380 I4396 L4398 | R4359-V4405 WeakPolarHBondContact CA-O 3.33Å; F4360-V4405 HydrophobicContact CD1-CB 4.03Å; F4360-V4405 HydrophobicContact CD1-CG1 4.33Å; F4360-V4405 HydrophobicContact CD2-CB 4.35Å; F4360-V4405 HydrophobicContact CD2-CG2 4.34Å; F4360-V4405 HydrophobicContact CE1-CB 3.66Å; F4360-V4405 HydrophobicContact CE1-CG1 3.56Å; F4360-V4405 HydrophobicContact CE1-CG2 4.32Å; F4360-V4405 HydrophobicContact CE2-CB 4.02Å; F4360-V4405 HydrophobicContact CE2-CG1 4.47Å; F4360-V4405 HydrophobicContact CE2-CG2 3.81Å; F4360-V4405 HydrophobicContact CG-CB 4.37Å; F4360-V4405 HydrophobicContact CZ-CB 3.66Å; F4360-V4405 HydrophobicContact CZ-CG1 3.65Å; F4360-V4405 HydrophobicContact CZ-CG2 3.8Å; F4360-V4405 PolarHBondContact N-O 2.84Å; F4360-V4405 VanDerWaalsContact N-O 3.09Å; F4360-V4405 PolarHBondContact O-N 2.97Å; V4362-V4405 HydrophobicContact CG2-CG2 3.79Å; I4380-V4405 HydrophobicContact CD1-CG1 4.08Å; I4380-V4405 HydrophobicContact CD1-CG2 3.82Å; I4396-V4405 HydrophobicContact CG2-CG1 3.87Å; L4398-V4405 HydrophobicContact CD2-CB 4.3Å; L4398-V4405 HydrophobicContact CD2-CG1 4.13Å; L4398-V4405 HydrophobicContact CD2-CG2 3.75Å |
| 4406 | D | 89.2 | Confident | 86.3 | Confident | 37 Ų | 37 | 43.2 Ų | 43.2 | 20% | 0.198 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 135.7 | 168.4 | -78.8 | -48.2 | 0 | 0 | 0 | 109.5 | R4359 I4396 K4397 N4399 | R4359-D4406 IonicContact CZ-OD1 2.84Å; R4359-D4406 VanDerWaalsContact CZ-OD1 3.22Å; R4359-D4406 IonicContact CZ-OD2 3.21Å; R4359-D4406 IonicContact NE-OD1 3.69Å; R4359-D4406 PolarHBondContact NE-OD1 2.95Å; R4359-D4406 IonicContact NE-OD2 2.81Å; R4359-D4406 VanDerWaalsContact NH2-CG 3.27Å; R4359-D4406 IonicContact NH2-OD1 3.77Å; R4359-D4406 PolarHBondContact NH2-OD1 2.93Å; R4359-D4406 IonicContact NH2-OD2 3.82Å; R4359-D4406 PolarHBondContact NH2-OD2 3.46Å; I4396-D4406 CarbonylContact C-O 3.59Å; I4396-D4406 VanDerWaalsContact CA-O 3.28Å; I4396-D4406 WeakPolarHBondContact CA-O 3.32Å; K4397-D4406 HydrophobicContact CB-CB 4.2Å; K4397-D4406 PolarHBondContact N-O 2.78Å; K4397-D4406 PolarHBondContact O-N 3.22Å; N4399-D4406 PolarHBondContact ND2-OD2 2.88Å |
| 4407 | M | 90.3 | Very high | 86.4 | Confident | 6 Ų | 6 | 42.6 Ų | 42.6 | 3% | 0.03 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 171.7 | -179.6 | 63.2 | -176.6 | -50.6 | 0 | 0 | 111.5 | P4357 F4358 F4360 L4384 F4393 I4396 | P4357-M4407 CarbonylContact C-O 3.52Å; P4357-M4407 WeakPolarHBondContact CA-O 3.27Å; F4358-M4407 HydrophobicContact CB-CG 4.19Å; F4358-M4407 HydrophobicContact CD1-SD 4.45Å; F4358-M4407 PolarHBondContact N-O 3.14Å; F4358-M4407 WeakPolarHBondContact O-CG 3.2Å; F4358-M4407 PolarHBondContact O-N 2.78Å; F4358-M4407 VanDerWaalsContact O-O 3.11Å; F4360-M4407 HydrophobicContact CD1-SD 4.23Å; F4360-M4407 HydrophobicContact CE1-SD 3.64Å; L4384-M4407 HydrophobicContact CD1-CE 3.4Å; L4384-M4407 VanDerWaalsContact CD1-CE 3.4Å; L4384-M4407 HydrophobicContact CD1-SD 4.09Å; F4393-M4407 HydrophobicContact CB-CE 3.32Å; F4393-M4407 HydrophobicContact CD1-CE 3.14Å; F4393-M4407 HydrophobicContact CD1-SD 4.25Å; F4393-M4407 HydrophobicContact CE1-CE 4.08Å; F4393-M4407 HydrophobicContact CG-CE 3.49Å; F4393-M4407 VanDerWaalsContact CG-CE 3.49Å; I4396-M4407 HydrophobicContact CD1-CE 4.48Å; I4396-M4407 HydrophobicContact CG1-CB 4.06Å; I4396-M4407 HydrophobicContact CG1-CE 4.47Å |
| 4408 | T | 90.4 | Very high | 86.4 | Confident | 23 Ų | 23 | 39.5 Ų | 39.5 | 14% | 0.141 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.3 | 172.4 | 51.8 | 0 | 0 | 0 | 0 | 110.6 | I4355 K4356 F4393 E4394 N4395 | I4355-T4408 HydrophobicContact CG2-CG2 4.03Å; K4356-T4408 CarbonylContact O-C 3.57Å; K4356-T4408 WeakPolarHBondContact O-CA 3.34Å; F4393-T4408 WeakPolarHBondContact CA-O 3.38Å; E4394-T4408 PolarHBondContact N-O 3.08Å; E4394-T4408 PolarHBondContact O-N 3.35Å; E4394-T4408 PolarHBondContact O-OG1 3.21Å; N4395-T4408 HydrophobicContact CB-CG2 4.39Å; N4395-T4408 PolarHBondContact ND2-OG1 3.21Å |
| 4409 | A | 89.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 127.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I4355 K4356 I4391 L4392 F4393 V4417 L4421 | I4355-A4409 CarbonylContact C-O 3.24Å; I4355-A4409 WeakPolarHBondContact CA-O 3.35Å; K4356-A4409 PolarHBondContact N-O 3.27Å; K4356-A4409 PolarHBondContact O-N 2.98Å; I4391-A4409 HydrophobicContact CG2-CB 3.91Å; L4392-A4409 CarbonylContact O-C 3.51Å; L4392-A4409 VanDerWaalsContact O-CA 3.31Å; L4392-A4409 WeakPolarHBondContact O-CA 3.3Å; F4393-A4409 HydrophobicContact CD1-CB 3.91Å; F4393-A4409 HydrophobicContact CE1-CB 3.75Å; A4409-V4417 HydrophobicContact CB-CG1 4.05Å; A4409-L4421 HydrophobicContact CB-CD1 4.28Å; A4409-L4421 HydrophobicContact CB-CD2 3.77Å; A4409-L4421 HydrophobicContact CB-CG 4.2Å |
| 4410 | A | 89.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 140.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R4352 V4354 I4355 L4392 | R4352-A4410 HydrophobicContact CG-CB 4.31Å; V4354-A4410 WeakPolarHBondContact O-CA 3.28Å; I4355-A4410 HydrophobicContact CG1-CB 3.98Å; L4392-A4410 HydrophobicContact CB-CB 4.2Å; L4392-A4410 PolarHBondContact N-O 2.93Å; L4392-A4410 PolarHBondContact O-N 3.27Å |
| 4411 | S | 91.6 | Very high | 87.1 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.7 | -178.5 | 176.3 | -163.8 | 0 | 0 | 0 | 0 | 110.9 | A4351 N4353 V4354 N4390 T4413 V4416 | A4351-S4411 CarbonylContact O-C 3.58Å; A4351-S4411 VanDerWaalsContact O-CA 3.25Å; A4351-S4411 WeakPolarHBondContact O-CA 3.09Å; N4353-S4411 PolarHBondContact N-O 3.28Å; V4354-S4411 PolarHBondContact N-O 3.28Å; V4354-S4411 PolarHBondContact O-N 3.33Å; V4354-S4411 VanDerWaalsContact O-N 3.1Å; N4390-S4411 PolarHBondContact O-OG 2.78Å; S4411-T4413 PolarHBondContact O-N 2.89Å; S4411-V4416 WeakPolarHBondContact OG-CG1 3.33Å |
| 4412 | D | 87.9 | Confident | 87.9 | Confident | 77 Ų | 77 | 37.2 Ų | 37.2 | 41% | 0.412 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -66.8 | -35.4 | -173 | -59 | -41.2 | 0 | 0 | 0 | 113.6 | A4351 N4353 | A4351-D4412 VanDerWaalsContact CA-OD1 3.3Å; A4351-D4412 WeakPolarHBondContact CA-OD1 3.36Å; A4351-D4412 WeakPolarHBondContact CB-OD1 3.42Å; A4351-D4412 PolarHBondContact N-OD1 3.49Å; A4351-D4412 PolarHBondContact O-N 3.11Å; N4353-D4412 VanDerWaalsContact CB-O 3.24Å; N4353-D4412 WeakPolarHBondContact CB-O 3.41Å; N4353-D4412 PolarHBondContact ND2-O 2.63Å |
| 4413 | T | 90.4 | Very high | 88.8 | Confident | 65 Ų | 65 | 37.5 Ų | 37.5 | 40% | 0.399 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -135.8 | 150.4 | -172.5 | 69.4 | 0 | 0 | 0 | 0 | 112.2 | S4411 T4415 V4416 V4417 | S4411-T4413 PolarHBondContact O-N 2.89Å; T4413-T4415 PolarHBondContact O-N 2.95Å; T4413-V4416 PolarHBondContact O-N 2.82Å; T4413-V4416 VanDerWaalsContact OG1-CG2 3.23Å; T4413-V4416 WeakPolarHBondContact OG1-CG2 3.49Å; T4413-V4416 PolarHBondContact OG1-N 3Å; T4413-V4417 PolarHBondContact O-N 2.94Å |
| 4414 | T | 88.6 | Confident | 89 | Confident | 59 Ų | 59 | 37.6 Ų | 37.6 | 36% | 0.362 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.5 | -37.2 | 179.2 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | V4354 V4417 Q4418 | V4354-T4414 WeakPolarHBondContact CG2-OG1 3.35Å; T4414-V4417 PolarHBondContact O-N 2.86Å; T4414-Q4418 HydrophobicContact CG2-CG 4.12Å; T4414-Q4418 WeakPolarHBondContact O-CB 3.47Å; T4414-Q4418 WeakPolarHBondContact O-CG 3.44Å; T4414-Q4418 PolarHBondContact O-N 3.21Å |
| 4415 | T | 88.1 | Confident | 89 | Confident | 86 Ų | 86 | 37.7 Ų | 37.7 | 53% | 0.528 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.1 | -44.1 | 179.2 | -48.6 | 0 | 0 | 0 | 0 | 111.8 | T4413 Q4418 N4419 | T4413-T4415 PolarHBondContact O-N 2.95Å; T4415-Q4418 PolarHBondContact O-N 2.73Å; T4415-N4419 VanDerWaalsContact O-CB 3.29Å; T4415-N4419 WeakPolarHBondContact O-CB 3.48Å; T4415-N4419 PolarHBondContact O-N 2.93Å; T4415-N4419 PolarHBondContact O-ND2 2.6Å |
| 4416 | V | 88.1 | Confident | 88.9 | Confident | 59 Ų | 59 | 41 Ų | 41 | 36% | 0.358 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.6 | -46.4 | 178.8 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | I4391 S4411 T4413 A4420 | I4391-V4416 HydrophobicContact CD1-CG1 3.55Å; S4411-V4416 WeakPolarHBondContact OG-CG1 3.33Å; T4413-V4416 PolarHBondContact O-N 2.82Å; T4413-V4416 VanDerWaalsContact OG1-CG2 3.23Å; T4413-V4416 WeakPolarHBondContact OG1-CG2 3.49Å; T4413-V4416 PolarHBondContact OG1-N 3Å; V4416-A4420 WeakPolarHBondContact O-CB 3.18Å; V4416-A4420 PolarHBondContact O-N 3.42Å; V4416-A4420 VanDerWaalsContact O-N 3.09Å |
| 4417 | V | 89.2 | Confident | 88.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.1 | -46.9 | 177.2 | 179.6 | 0 | 0 | 0 | 0 | 111.4 | V4354 K4356 I4391 A4409 T4413 T4414 A4420 L4421 | V4354-V4417 HydrophobicContact CB-CG2 4.23Å; V4354-V4417 HydrophobicContact CG1-CG2 4.21Å; K4356-V4417 HydrophobicContact CB-CG1 3.75Å; K4356-V4417 HydrophobicContact CG-CG1 3.65Å; I4391-V4417 HydrophobicContact CD1-CG2 4.47Å; A4409-V4417 HydrophobicContact CB-CG1 4.05Å; T4413-V4417 PolarHBondContact O-N 2.94Å; T4414-V4417 PolarHBondContact O-N 2.86Å; V4417-A4420 PolarHBondContact O-N 3.03Å; V4417-L4421 HydrophobicContact CG1-CD1 3.9Å; V4417-L4421 HydrophobicContact CG1-CG 4.24Å; V4417-L4421 WeakPolarHBondContact O-CB 3.06Å; V4417-L4421 VanDerWaalsContact O-CG 3.28Å; V4417-L4421 WeakPolarHBondContact O-CG 3.34Å; V4417-L4421 PolarHBondContact O-N 2.86Å |
| 4418 | Q | 87.5 | Confident | 88.7 | Confident | 72 Ų | 72 | 39.8 Ų | 39.8 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.5 | -43.5 | -179.4 | -77.1 | 179.4 | -27.8 | 0 | 0 | 112.3 | T4414 T4415 A4420 L4421 M4422 | T4414-Q4418 HydrophobicContact CG2-CG 4.12Å; T4414-Q4418 WeakPolarHBondContact O-CB 3.47Å; T4414-Q4418 WeakPolarHBondContact O-CG 3.44Å; T4414-Q4418 PolarHBondContact O-N 3.21Å; T4415-Q4418 PolarHBondContact O-N 2.73Å; Q4418-A4420 PolarHBondContact O-N 2.94Å; Q4418-L4421 PolarHBondContact O-N 2.92Å; Q4418-M4422 HydrophobicContact CB-CE 4.3Å; Q4418-M4422 WeakPolarHBondContact O-CB 3.45Å; Q4418-M4422 WeakPolarHBondContact O-CE 3.18Å; Q4418-M4422 VanDerWaalsContact O-CG 3.28Å; Q4418-M4422 WeakPolarHBondContact O-CG 3.36Å; Q4418-M4422 PolarHBondContact O-N 3.18Å |
| 4419 | N | 88 | Confident | 88.5 | Confident | 92 Ų | 92 | 43.7 Ų | 43.7 | 49% | 0.492 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62 | -43.9 | 178 | -72.8 | -8.7 | 0 | 0 | 0 | 111.7 | T4415 M4422 S4423 | T4415-N4419 VanDerWaalsContact O-CB 3.29Å; T4415-N4419 WeakPolarHBondContact O-CB 3.48Å; T4415-N4419 PolarHBondContact O-N 2.93Å; T4415-N4419 PolarHBondContact O-ND2 2.6Å; N4419-M4422 PolarHBondContact O-N 3.21Å; N4419-M4422 WeakPolarHBondContact OD1-CE 3.01Å; N4419-S4423 WeakPolarHBondContact O-CB 3.49Å; N4419-S4423 PolarHBondContact O-N 2.83Å |
| 4420 | A | 88.7 | Confident | 88.2 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 7% | 0.074 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65 | -44.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y4388 I4391 V4416 V4417 Q4418 S4423 F4424 | Y4388-A4420 HydrophobicContact CD1-CB 3.89Å; Y4388-A4420 HydrophobicContact CE1-CB 4.34Å; Y4388-A4420 HydrophobicContact CG-CB 4.22Å; I4391-A4420 HydrophobicContact CD1-CB 3.77Å; I4391-A4420 HydrophobicContact CG1-CB 3.52Å; V4416-A4420 WeakPolarHBondContact O-CB 3.18Å; V4416-A4420 PolarHBondContact O-N 3.42Å; V4416-A4420 VanDerWaalsContact O-N 3.09Å; V4417-A4420 PolarHBondContact O-N 3.03Å; Q4418-A4420 PolarHBondContact O-N 2.94Å; A4420-S4423 PolarHBondContact O-N 3.35Å; A4420-F4424 VanDerWaalsContact O-CB 3.31Å; A4420-F4424 WeakPolarHBondContact O-CB 3.49Å; A4420-F4424 PolarHBondContact O-N 3.29Å |
| 4421 | L | 89.3 | Confident | 87.8 | Confident | 14 Ų | 14 | 50.1 Ų | 50.1 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.7 | -36.2 | 177.8 | -69 | -176 | 0 | 0 | 0 | 112.5 | K4356 F4358 F4393 A4409 V4417 Q4418 T4425 | K4356-L4421 HydrophobicContact CB-CD1 3.96Å; F4358-L4421 HydrophobicContact CB-CD1 4.47Å; F4358-L4421 HydrophobicContact CB-CD2 3.87Å; F4358-L4421 HydrophobicContact CD1-CD2 4.2Å; F4358-L4421 HydrophobicContact CD2-CB 4.32Å; F4358-L4421 HydrophobicContact CD2-CD1 4.06Å; F4358-L4421 HydrophobicContact CD2-CD2 3.56Å; F4358-L4421 HydrophobicContact CD2-CG 4.18Å; F4358-L4421 HydrophobicContact CE2-CB 4.34Å; F4358-L4421 HydrophobicContact CE2-CD2 4.11Å; F4358-L4421 HydrophobicContact CG-CD2 3.59Å; F4393-L4421 HydrophobicContact CE1-CD2 4.3Å; A4409-L4421 HydrophobicContact CB-CD1 4.28Å; A4409-L4421 HydrophobicContact CB-CD2 3.77Å; A4409-L4421 HydrophobicContact CB-CG 4.2Å; V4417-L4421 HydrophobicContact CG1-CD1 3.9Å; V4417-L4421 HydrophobicContact CG1-CG 4.24Å; V4417-L4421 WeakPolarHBondContact O-CB 3.06Å; V4417-L4421 VanDerWaalsContact O-CG 3.28Å; V4417-L4421 WeakPolarHBondContact O-CG 3.34Å; V4417-L4421 PolarHBondContact O-N 2.86Å; Q4418-L4421 PolarHBondContact O-N 2.92Å; L4421-T4425 WeakPolarHBondContact O-CB 3.38Å; L4421-T4425 PolarHBondContact O-N 3.27Å; L4421-T4425 PolarHBondContact O-OG1 3.14Å |
| 4422 | M | 87.1 | Confident | 87.4 | Confident | 105 Ų | 105 | 52.3 Ų | 52.3 | 52% | 0.517 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.2 | -46.5 | 173.6 | -75 | -173.7 | -68.4 | 0 | 0 | 111.4 | Q4418 N4419 F4424 T4425 S4426 | Q4418-M4422 HydrophobicContact CB-CE 4.3Å; Q4418-M4422 WeakPolarHBondContact O-CB 3.45Å; Q4418-M4422 WeakPolarHBondContact O-CE 3.18Å; Q4418-M4422 VanDerWaalsContact O-CG 3.28Å; Q4418-M4422 WeakPolarHBondContact O-CG 3.36Å; Q4418-M4422 PolarHBondContact O-N 3.18Å; N4419-M4422 PolarHBondContact O-N 3.21Å; N4419-M4422 WeakPolarHBondContact OD1-CE 3.01Å; M4422-F4424 VanDerWaalsContact C-N 3.33Å; M4422-F4424 PolarHBondContact O-N 2.98Å; M4422-T4425 PolarHBondContact O-N 2.93Å; M4422-S4426 PolarHBondContact O-N 2.8Å |
| 4423 | S | 88.4 | Confident | 87.4 | Confident | 57 Ų | 57 | 48.8 Ų | 48.8 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 174.5 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | Y4388 N4419 A4420 T4425 S4426 S4427 | Y4388-S4423 WeakPolarHBondContact OH-CB 3.36Å; Y4388-S4423 PolarHBondContact OH-OG 3.12Å; N4419-S4423 WeakPolarHBondContact O-CB 3.49Å; N4419-S4423 PolarHBondContact O-N 2.83Å; A4420-S4423 PolarHBondContact O-N 3.35Å; S4423-T4425 PolarHBondContact O-N 3.31Å; S4423-S4426 VanDerWaalsContact O-CB 3.28Å; S4423-S4426 WeakPolarHBondContact O-CB 3.19Å; S4423-S4426 PolarHBondContact O-N 2.83Å; S4423-S4426 VanDerWaalsContact O-N 3.14Å; S4423-S4427 PolarHBondContact O-N 2.89Å; S4423-S4427 PolarHBondContact O-OG 3.38Å |
| 4424 | F | 90.4 | Very high | 87.3 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 0% | 0.004 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.7 | -39 | 179.1 | -172.1 | -132.7 | 0 | 0 | 0 | 111.6 | F4358 F4360 L4384 Y4388 A4420 M4422 S4426 S4427 L4428 V4433 | F4358-F4424 HydrophobicContact CD1-CD1 4.03Å; F4358-F4424 HydrophobicContact CD1-CE1 4.13Å; F4358-F4424 AromaticContact CE1-CD1 3.35Å; F4358-F4424 HydrophobicContact CE1-CD1 3.35Å; F4358-F4424 AromaticContact CE1-CE1 3.56Å; F4358-F4424 HydrophobicContact CE1-CE1 3.56Å; F4358-F4424 AromaticContact CZ-CD1 3.92Å; F4358-F4424 HydrophobicContact CZ-CD1 3.92Å; F4358-F4424 HydrophobicContact CZ-CE1 4.48Å; F4360-F4424 AromaticContact CD1-CE1 3.94Å; F4360-F4424 HydrophobicContact CD1-CE1 3.94Å; F4360-F4424 HydrophobicContact CD1-CZ 4.42Å; F4360-F4424 HydrophobicContact CE1-CE1 4.05Å; F4360-F4424 HydrophobicContact CE1-CZ 4.28Å; F4360-F4424 HydrophobicContact CG-CE1 4.43Å; F4360-F4424 HydrophobicContact CZ-CZ 4.42Å; L4384-F4424 HydrophobicContact CD2-CD1 4.22Å; L4384-F4424 HydrophobicContact CD2-CD2 4.16Å; L4384-F4424 HydrophobicContact CD2-CE1 3.78Å; L4384-F4424 HydrophobicContact CD2-CE2 3.72Å; L4384-F4424 HydrophobicContact CD2-CG 4.4Å; L4384-F4424 HydrophobicContact CD2-CZ 3.54Å; Y4388-F4424 HydrophobicContact CE2-CB 3.68Å; Y4388-F4424 AromaticContact CE2-CD2 3.9Å; Y4388-F4424 HydrophobicContact CE2-CD2 3.9Å; Y4388-F4424 HydrophobicContact CE2-CG 4.02Å; Y4388-F4424 WeakPolarHBondContact OH-CA 3.23Å; Y4388-F4424 PolarHBondContact OH-N 3.05Å; A4420-F4424 VanDerWaalsContact O-CB 3.31Å; A4420-F4424 WeakPolarHBondContact O-CB 3.49Å; A4420-F4424 PolarHBondContact O-N 3.29Å; M4422-F4424 VanDerWaalsContact C-N 3.33Å; M4422-F4424 PolarHBondContact O-N 2.98Å; F4424-S4426 PolarHBondContact O-N 3.03Å; F4424-S4427 CarbonylContact O-C 3.57Å; F4424-S4427 PolarHBondContact O-N 2.86Å; F4424-S4427 VanDerWaalsContact O-N 3.15Å; F4424-L4428 HydrophobicContact CD1-CD1 3.86Å; F4424-L4428 HydrophobicContact CD1-CG 4.42Å; F4424-L4428 HydrophobicContact CD2-CG 4.34Å; F4424-L4428 HydrophobicContact CE1-CD1 3.69Å; F4424-L4428 HydrophobicContact CE1-CD2 4.38Å; F4424-L4428 HydrophobicContact CE1-CG 4.19Å; F4424-L4428 HydrophobicContact CE2-CD1 4.49Å; F4424-L4428 HydrophobicContact CE2-CD2 4.15Å; F4424-L4428 HydrophobicContact CE2-CG 4.11Å; F4424-L4428 HydrophobicContact CG-CD1 4.33Å; F4424-L4428 HydrophobicContact CG-CG 4.49Å; F4424-L4428 HydrophobicContact CZ-CD1 4.02Å; F4424-L4428 HydrophobicContact CZ-CD2 3.87Å; F4424-L4428 HydrophobicContact CZ-CG 4.01Å; F4424-L4428 WeakPolarHBondContact O-CB 3.05Å; F4424-L4428 VanDerWaalsContact O-CG 3.27Å; F4424-L4428 WeakPolarHBondContact O-CG 3.37Å; F4424-L4428 PolarHBondContact O-N 3.33Å; F4424-V4433 HydrophobicContact CD2-CG2 4.47Å; F4424-V4433 HydrophobicContact CE2-CG1 4.24Å; F4424-V4433 HydrophobicContact CE2-CG2 3.88Å |
| 4425 | T | 88.3 | Confident | 87.3 | Confident | 27 Ų | 27 | 46.7 Ų | 46.7 | 17% | 0.166 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.2 | -38.2 | 172.1 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | L4421 M4422 S4423 L4428 N4429 | L4421-T4425 WeakPolarHBondContact O-CB 3.38Å; L4421-T4425 PolarHBondContact O-N 3.27Å; L4421-T4425 PolarHBondContact O-OG1 3.14Å; M4422-T4425 PolarHBondContact O-N 2.93Å; S4423-T4425 PolarHBondContact O-N 3.31Å; T4425-L4428 PolarHBondContact O-N 3.39Å; T4425-N4429 WeakPolarHBondContact O-CB 3.46Å; T4425-N4429 PolarHBondContact O-N 3.3Å; T4425-N4429 PolarHBondContact O-ND2 3.45Å |
| 4426 | S | 85.9 | Confident | 87.2 | Confident | 70 Ų | 70 | 44.4 Ų | 44.4 | 49% | 0.49 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.6 | -48.1 | 172.8 | -168.4 | 0 | 0 | 0 | 0 | 112.1 | M4422 S4423 F4424 L4428 N4429 D4430 | M4422-S4426 PolarHBondContact O-N 2.8Å; S4423-S4426 VanDerWaalsContact O-CB 3.28Å; S4423-S4426 WeakPolarHBondContact O-CB 3.19Å; S4423-S4426 PolarHBondContact O-N 2.83Å; S4423-S4426 VanDerWaalsContact O-N 3.14Å; F4424-S4426 PolarHBondContact O-N 3.03Å; S4426-L4428 VanDerWaalsContact C-N 3.26Å; S4426-L4428 PolarHBondContact O-N 2.89Å; S4426-N4429 PolarHBondContact O-N 2.78Å; S4426-N4429 VanDerWaalsContact O-N 3.12Å; S4426-D4430 PolarHBondContact O-N 3.32Å |
| 4427 | S | 87 | Confident | 87.2 | Confident | 15 Ų | 15 | 41.7 Ų | 41.7 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.4 | -25.7 | 176.2 | -59.8 | 0 | 0 | 0 | 0 | 114 | R4387 S4423 F4424 D4430 S4432 | R4387-S4427 PolarHBondContact NH1-OG 2.72Å; S4423-S4427 PolarHBondContact O-N 2.89Å; S4423-S4427 PolarHBondContact O-OG 3.38Å; F4424-S4427 CarbonylContact O-C 3.57Å; F4424-S4427 PolarHBondContact O-N 2.86Å; F4424-S4427 VanDerWaalsContact O-N 3.15Å; S4427-D4430 VanDerWaalsContact C-OD1 3.23Å; S4427-D4430 VanDerWaalsContact CA-OD1 3.29Å; S4427-D4430 WeakPolarHBondContact CA-OD1 3.12Å; S4427-S4432 WeakPolarHBondContact CB-OG 3.29Å; S4427-S4432 PolarHBondContact O-N 3.45Å; S4427-S4432 PolarHBondContact O-OG 3.48Å |
| 4428 | L | 88.9 | Confident | 86.9 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -77.8 | -31.2 | 173.4 | -71.9 | 171.5 | 0 | 0 | 0 | 111.7 | F4358 F4360 F4424 T4425 S4426 V4433 A4444 N4446 | F4358-L4428 HydrophobicContact CE1-CD1 3.8Å; F4358-L4428 HydrophobicContact CZ-CD1 3.92Å; F4360-L4428 HydrophobicContact CB-CD1 3.62Å; F4360-L4428 HydrophobicContact CB-CD2 4.27Å; F4360-L4428 HydrophobicContact CD2-CD2 4.03Å; F4360-L4428 HydrophobicContact CG-CD1 4.15Å; F4360-L4428 HydrophobicContact CG-CD2 4.28Å; F4424-L4428 HydrophobicContact CD1-CD1 3.86Å; F4424-L4428 HydrophobicContact CD1-CG 4.42Å; F4424-L4428 HydrophobicContact CD2-CG 4.34Å; F4424-L4428 HydrophobicContact CE1-CD1 3.69Å; F4424-L4428 HydrophobicContact CE1-CD2 4.38Å; F4424-L4428 HydrophobicContact CE1-CG 4.19Å; F4424-L4428 HydrophobicContact CE2-CD1 4.49Å; F4424-L4428 HydrophobicContact CE2-CD2 4.15Å; F4424-L4428 HydrophobicContact CE2-CG 4.11Å; F4424-L4428 HydrophobicContact CG-CD1 4.33Å; F4424-L4428 HydrophobicContact CG-CG 4.49Å; F4424-L4428 HydrophobicContact CZ-CD1 4.02Å; F4424-L4428 HydrophobicContact CZ-CD2 3.87Å; F4424-L4428 HydrophobicContact CZ-CG 4.01Å; F4424-L4428 WeakPolarHBondContact O-CB 3.05Å; F4424-L4428 VanDerWaalsContact O-CG 3.27Å; F4424-L4428 WeakPolarHBondContact O-CG 3.37Å; F4424-L4428 PolarHBondContact O-N 3.33Å; T4425-L4428 PolarHBondContact O-N 3.39Å; S4426-L4428 VanDerWaalsContact C-N 3.26Å; S4426-L4428 PolarHBondContact O-N 2.89Å; L4428-V4433 HydrophobicContact CD2-CB 4.38Å; L4428-V4433 HydrophobicContact CD2-CG2 4.28Å; L4428-A4444 HydrophobicContact CD2-CB 3.53Å; L4428-N4446 HydrophobicContact CB-CB 4.17Å |
| 4429 | N | 85.7 | Confident | 86.7 | Confident | 105 Ų | 105 | 42.9 Ų | 42.9 | 56% | 0.561 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -76.7 | -32.8 | 177.5 | -70 | -21.8 | 0 | 0 | 0 | 112.4 | T4425 S4426 G4431 N4446 | T4425-N4429 WeakPolarHBondContact O-CB 3.46Å; T4425-N4429 PolarHBondContact O-N 3.3Å; T4425-N4429 PolarHBondContact O-ND2 3.45Å; S4426-N4429 PolarHBondContact O-N 2.78Å; S4426-N4429 VanDerWaalsContact O-N 3.12Å; N4429-G4431 VanDerWaalsContact C-N 3.32Å; N4429-N4446 WeakPolarHBondContact OD1-CB 3.36Å; N4429-N4446 PolarHBondContact OD1-ND2 2.96Å |
| 4430 | D | 83.5 | Confident | 86.6 | Confident | 102 Ų | 102 | 42 Ų | 42 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -5.8 | 177.2 | 68.7 | 19 | 0 | 0 | 0 | 113.9 | S4426 S4427 S4432 | S4426-D4430 PolarHBondContact O-N 3.32Å; S4427-D4430 VanDerWaalsContact C-OD1 3.23Å; S4427-D4430 VanDerWaalsContact CA-OD1 3.29Å; S4427-D4430 WeakPolarHBondContact CA-OD1 3.12Å; D4430-S4432 VanDerWaalsContact C-N 3.28Å; D4430-S4432 PolarHBondContact O-N 2.95Å; D4430-S4432 WeakPolarHBondContact OD1-CA 3.22Å; D4430-S4432 WeakPolarHBondContact OD1-CB 3.5Å; D4430-S4432 PolarHBondContact OD1-N 3.46Å; D4430-S4432 PolarHBondContact OD1-OG 3.23Å |
| 4431 | G | 80.4 | Confident | 86.5 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 33% | 0.33 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | 14.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N4429 V4433 | N4429-G4431 VanDerWaalsContact C-N 3.32Å; G4431-V4433 PolarHBondContact O-N 3.22Å |
| 4432 | S | 83.6 | Confident | 86.5 | Confident | 49 Ų | 49 | 47.3 Ų | 47.3 | 34% | 0.343 | 31% | 0.305 | S | S | . | . | trans | -76.5 | -1.5 | -176.2 | 64.4 | 0 | 0 | 0 | 0 | 114.9 | R4387 S4427 D4430 | R4387-S4432 PolarHBondContact NH2-O 3.1Å; S4427-S4432 WeakPolarHBondContact CB-OG 3.29Å; S4427-S4432 PolarHBondContact O-N 3.45Å; S4427-S4432 PolarHBondContact O-OG 3.48Å; D4430-S4432 VanDerWaalsContact C-N 3.28Å; D4430-S4432 PolarHBondContact O-N 2.95Å; D4430-S4432 WeakPolarHBondContact OD1-CA 3.22Å; D4430-S4432 WeakPolarHBondContact OD1-CB 3.5Å; D4430-S4432 PolarHBondContact OD1-N 3.46Å; D4430-S4432 PolarHBondContact OD1-OG 3.23Å | ||
| 4433 | V | 89.1 | Confident | 86.6 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | trans | -100.3 | 92.8 | -177.2 | -175.8 | 0 | 0 | 0 | 0 | 109.3 | E4383 F4424 L4428 G4431 A4444 | E4383-V4433 HydrophobicContact CG-CG1 3.81Å; F4424-V4433 HydrophobicContact CD2-CG2 4.47Å; F4424-V4433 HydrophobicContact CE2-CG1 4.24Å; F4424-V4433 HydrophobicContact CE2-CG2 3.88Å; L4428-V4433 HydrophobicContact CD2-CB 4.38Å; L4428-V4433 HydrophobicContact CD2-CG2 4.28Å; G4431-V4433 PolarHBondContact O-N 3.22Å; V4433-A4444 HydrophobicContact CB-CB 3.94Å; V4433-A4444 HydrophobicContact CG1-CB 3.7Å; V4433-A4444 PolarHBondContact O-N 2.96Å | ||
| 4434 | T | 87.5 | Confident | 86.7 | Confident | 72 Ų | 72 | 42.2 Ų | 42.2 | 44% | 0.442 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 144.1 | 179.6 | 58.9 | 0 | 0 | 0 | 0 | 112.5 | Y4442 T4443 | T4434-Y4442 CarbonylContact C-O 3.59Å; T4434-Y4442 VanDerWaalsContact CA-O 3.23Å; T4434-Y4442 WeakPolarHBondContact CA-O 3.44Å; T4434-T4443 HydrophobicContact CG2-CG2 3.92Å |
| 4435 | F | 88 | Confident | 86.5 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 154.6 | 178.9 | 57.5 | -92.8 | 0 | 0 | 0 | 112.2 | V4362 F4376 A4379 I4380 V4437 Y4442 | V4362-F4435 HydrophobicContact CG1-CZ 4.07Å; V4362-F4435 HydrophobicContact CG2-CZ 4.28Å; F4376-F4435 HydrophobicContact CD2-CE2 4.2Å; F4376-F4435 HydrophobicContact CE1-CE2 4.39Å; F4376-F4435 HydrophobicContact CE1-CZ 4.32Å; F4376-F4435 AromaticContact CE2-CE2 3.75Å; F4376-F4435 HydrophobicContact CE2-CE2 3.75Å; F4376-F4435 HydrophobicContact CE2-CZ 4.29Å; F4376-F4435 AromaticContact CZ-CE2 3.87Å; F4376-F4435 HydrophobicContact CZ-CE2 3.87Å; F4376-F4435 AromaticContact CZ-CZ 3.93Å; F4376-F4435 HydrophobicContact CZ-CZ 3.93Å; A4379-F4435 HydrophobicContact CB-CD2 3.8Å; A4379-F4435 HydrophobicContact CB-CE2 4.26Å; A4379-F4435 HydrophobicContact CB-CG 4.46Å; I4380-F4435 HydrophobicContact CD1-CZ 4.23Å; I4380-F4435 HydrophobicContact CG1-CE1 4.02Å; I4380-F4435 HydrophobicContact CG1-CE2 4.16Å; I4380-F4435 HydrophobicContact CG1-CZ 3.56Å; F4435-V4437 HydrophobicContact CD2-CG2 4.14Å; F4435-V4437 HydrophobicContact CE2-CG2 4.46Å; F4435-Y4442 HydrophobicContact CD2-CD2 4.45Å; F4435-Y4442 HydrophobicContact CE2-CD2 4.3Å; F4435-Y4442 HydrophobicContact CE2-CG 4.28Å; F4435-Y4442 PolarHBondContact N-O 3.08Å; F4435-Y4442 WeakPolarHBondContact O-CB 3.09Å; F4435-Y4442 PolarHBondContact O-N 3.49Å |
| 4436 | S | 86.4 | Confident | 86.4 | Confident | 39 Ų | 39 | 43.9 Ų | 43.9 | 27% | 0.273 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 133.1 | -177.3 | -155.3 | 0 | 0 | 0 | 0 | 111.7 | R4274 V4440 D4441 | R4274-S4436 WeakPolarHBondContact CB-O 3.45Å; S4436-V4440 CarbonylContact C-O 3.29Å; S4436-V4440 VanDerWaalsContact CA-O 3.27Å; S4436-V4440 WeakPolarHBondContact CA-O 3.38Å; S4436-V4440 PolarHBondContact OG-O 3.31Å; S4436-D4441 WeakPolarHBondContact CB-OD1 3.47Å; S4436-D4441 PolarHBondContact OG-OD1 3.46Å |
| 4437 | V | 87.9 | Confident | 85.9 | Confident | 2 Ų | 2 | 42.6 Ų | 42.6 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 132.2 | 175.7 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | Y4372 E4375 F4376 A4379 F4435 G4439 V4440 Y4442 | Y4372-V4437 HydrophobicContact CG-CG1 4.47Å; E4375-V4437 HydrophobicContact CB-CG1 3.83Å; F4376-V4437 HydrophobicContact CD2-CB 4.28Å; F4376-V4437 HydrophobicContact CD2-CG1 4.49Å; F4376-V4437 HydrophobicContact CD2-CG2 4.21Å; A4379-V4437 HydrophobicContact CB-CG2 3.43Å; A4379-V4437 VanDerWaalsContact CB-CG2 3.43Å; F4435-V4437 HydrophobicContact CD2-CG2 4.14Å; F4435-V4437 HydrophobicContact CE2-CG2 4.46Å; V4437-G4439 PolarHBondContact O-N 2.75Å; V4437-V4440 PolarHBondContact N-O 3.13Å; V4437-V4440 PolarHBondContact O-N 2.86Å; V4437-V4440 VanDerWaalsContact O-N 3.08Å; V4437-Y4442 HydrophobicContact CB-CD2 4.48Å; V4437-Y4442 HydrophobicContact CB-CE2 4.05Å |
| 4438 | G | 84.2 | Confident | 84.9 | Confident | 21 Ų | 21 | 49 Ų | 49 | 22% | 0.216 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 27.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | N4272 V4440 | N4272-G4438 PolarHBondContact O-N 2.96Å; G4438-V4440 VanDerWaalsContact C-N 3.29Å; G4438-V4440 PolarHBondContact O-N 2.76Å |
| 4439 | G | 82.8 | Confident | 83.6 | Confident | 75 Ų | 75 | 52.8 Ų | 52.8 | 77% | 0.773 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 9.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | V4437 | V4437-G4439 PolarHBondContact O-N 2.75Š|
| 4440 | V | 84.8 | Confident | 82 | Confident | 74 Ų | 74 | 50 Ų | 50 | 45% | 0.448 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.7 | 177.1 | -178.7 | 0 | 0 | 0 | 0 | 109.5 | S4436 V4437 G4438 Y4442 | S4436-V4440 CarbonylContact C-O 3.29Å; S4436-V4440 VanDerWaalsContact CA-O 3.27Å; S4436-V4440 WeakPolarHBondContact CA-O 3.38Å; S4436-V4440 PolarHBondContact OG-O 3.31Å; V4437-V4440 PolarHBondContact N-O 3.13Å; V4437-V4440 PolarHBondContact O-N 2.86Å; V4437-V4440 VanDerWaalsContact O-N 3.08Å; G4438-V4440 VanDerWaalsContact C-N 3.29Å; G4438-V4440 PolarHBondContact O-N 2.76Å; V4440-Y4442 HydrophobicContact CB-CE2 3.83Å; V4440-Y4442 HydrophobicContact CG1-CE1 4.32Å; V4440-Y4442 HydrophobicContact CG1-CE2 3.95Å; V4440-Y4442 WeakPolarHBondContact O-CD2 3.44Å; V4440-Y4442 WeakPolarHBondContact O-CE2 3.34Å |
| 4441 | D | 86.7 | Confident | 80.4 | Confident | 127 Ų | 127 | 49 Ų | 49 | 68% | 0.679 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | 132.8 | 175 | -66.6 | -26.1 | 0 | 0 | 0 | 111.3 | S4436 | S4436-D4441 WeakPolarHBondContact CB-OD1 3.47Å; S4436-D4441 PolarHBondContact OG-OD1 3.46Å |
| 4442 | Y | 89.7 | Confident | 78.8 | Confident | 8 Ų | 8 | 48.3 Ų | 48.3 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 139.9 | -179 | -64.7 | -87 | 0 | 0 | 0 | 109.6 | V4362 T4363 F4376 I4403 T4434 F4435 V4437 V4440 | V4362-Y4442 HydrophobicContact CG1-CD1 4.01Å; V4362-Y4442 HydrophobicContact CG1-CG 4.21Å; T4363-Y4442 WeakPolarHBondContact O-CD1 3.4Å; F4376-Y4442 HydrophobicContact CD2-CD2 4.48Å; F4376-Y4442 HydrophobicContact CD2-CE2 4.23Å; F4376-Y4442 AromaticContact CE2-CD1 3.72Å; F4376-Y4442 HydrophobicContact CE2-CD1 3.72Å; F4376-Y4442 AromaticContact CE2-CD2 3.8Å; F4376-Y4442 HydrophobicContact CE2-CD2 3.8Å; F4376-Y4442 AromaticContact CE2-CE1 3.73Å; F4376-Y4442 HydrophobicContact CE2-CE1 3.73Å; F4376-Y4442 AromaticContact CE2-CE2 3.81Å; F4376-Y4442 HydrophobicContact CE2-CE2 3.81Å; F4376-Y4442 AromaticContact CE2-CG 3.76Å; F4376-Y4442 HydrophobicContact CE2-CG 3.76Å; F4376-Y4442 AromaticContact CE2-CZ 3.78Å; F4376-Y4442 HydrophobicContact CZ-CD1 4.17Å; F4376-Y4442 HydrophobicContact CZ-CE1 4.43Å; F4376-Y4442 HydrophobicContact CZ-CG 4.36Å; I4403-Y4442 HydrophobicContact CD1-CD1 4.18Å; I4403-Y4442 HydrophobicContact CD1-CE1 3.83Å; T4434-Y4442 CarbonylContact C-O 3.59Å; T4434-Y4442 VanDerWaalsContact CA-O 3.23Å; T4434-Y4442 WeakPolarHBondContact CA-O 3.44Å; F4435-Y4442 HydrophobicContact CD2-CD2 4.45Å; F4435-Y4442 HydrophobicContact CE2-CD2 4.3Å; F4435-Y4442 HydrophobicContact CE2-CG 4.28Å; F4435-Y4442 PolarHBondContact N-O 3.08Å; F4435-Y4442 WeakPolarHBondContact O-CB 3.09Å; F4435-Y4442 PolarHBondContact O-N 3.49Å; V4437-Y4442 HydrophobicContact CB-CD2 4.48Å; V4437-Y4442 HydrophobicContact CB-CE2 4.05Å; V4440-Y4442 HydrophobicContact CB-CE2 3.83Å; V4440-Y4442 HydrophobicContact CG1-CE1 4.32Å; V4440-Y4442 HydrophobicContact CG1-CE2 3.95Å; V4440-Y4442 WeakPolarHBondContact O-CD2 3.44Å; V4440-Y4442 WeakPolarHBondContact O-CE2 3.34Å |
| 4443 | T | 89.3 | Confident | 77 | Confident | 55 Ų | 55 | 50.1 Ų | 50.1 | 34% | 0.337 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.6 | 175.2 | -55.4 | 0 | 0 | 0 | 0 | 109 | V4362 T4363 T4434 | V4362-T4443 WeakPolarHBondContact CA-O 3.14Å; T4363-T4443 PolarHBondContact N-O 3.3Å; T4363-T4443 PolarHBondContact OG1-N 2.87Å; T4363-T4443 PolarHBondContact OG1-O 3.24Å; T4434-T4443 HydrophobicContact CG2-CG2 3.92Å |
| 4444 | A | 90.6 | Very high | 74.8 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 139 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | F4360 K4361 V4362 L4428 V4433 | F4360-A4444 HydrophobicContact CD2-CB 3.8Å; F4360-A4444 HydrophobicContact CE2-CB 3.74Å; K4361-A4444 CarbonylContact O-C 3.52Å; K4361-A4444 WeakPolarHBondContact O-CA 3.13Å; V4362-A4444 HydrophobicContact CG2-CB 4.04Å; L4428-A4444 HydrophobicContact CD2-CB 3.53Å; V4433-A4444 HydrophobicContact CB-CB 3.94Å; V4433-A4444 HydrophobicContact CG1-CB 3.7Å; V4433-A4444 PolarHBondContact O-N 2.96Å |
| 4445 | S | 87.2 | Confident | 72.5 | Confident | 35 Ų | 35 | 65.6 Ų | 65.6 | 25% | 0.245 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 155.7 | -179.6 | 64.6 | 0 | 0 | 0 | 0 | 110.8 | K4361 | K4361-S4445 PolarHBondContact N-O 3.46Å; K4361-S4445 PolarHBondContact O-N 3.33Å |
| 4446 | N | 84.5 | Confident | 70.2 | Confident | 28 Ų | 28 | 71.9 Ų | 71.9 | 15% | 0.15 | 43% | 0.429 | C | S | . | . | trans | -66.2 | 147.1 | 174.9 | -173.1 | 9.4 | 0 | 0 | 0 | 111.3 | L4428 N4429 N4448 N4450 | L4428-N4446 HydrophobicContact CB-CB 4.17Å; N4429-N4446 WeakPolarHBondContact OD1-CB 3.36Å; N4429-N4446 PolarHBondContact OD1-ND2 2.96Å; N4446-N4448 PolarHBondContact OD1-N 3.19Å; N4446-N4450 PolarHBondContact OD1-ND2 3.05Å | ||
| 4447 | D | 75.5 | Confident | 67.9 | Low | 42 Ų | 42 | 73.4 Ų | 73.4 | 23% | 0.225 | 45% | 0.451 | C | S | . | . | trans | -104.6 | 8.8 | -178.5 | -169.1 | 37 | 0 | 0 | 0 | 113.3 | R4359 K4361 T4449 | R4359-D4447 WeakPolarHBondContact CD-OD2 3.3Å; R4359-D4447 HydrophobicContact CG-CB 4.47Å; K4361-D4447 HydrophobicContact CB-CB 4.3Å; D4447-T4449 PolarHBondContact O-N 2.84Å; D4447-T4449 PolarHBondContact O-OG1 2.87Å; D4447-T4449 PolarHBondContact OD2-OG1 3.04Å; D4447-T4449 VanDerWaalsContact OD2-OG1 3.14Å | ||
| 4448 | N | 66.2 | Low | 65.7 | Low | 149 Ų | 149 | 82.3 Ų | 82.3 | 80% | 0.797 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 56 | 1.7 | 178.6 | -66.4 | -24.5 | 0 | 0 | 0 | 116.6 | N4446 | N4446-N4448 PolarHBondContact OD1-N 3.19Š|
| 4449 | T | 61.3 | Low | 63.7 | Low | 84 Ų | 84 | 88.3 Ų | 88.3 | 52% | 0.515 | 52% | 0.516 | S | S | . | . | trans | -109 | 20.4 | -175.4 | 55 | 0 | 0 | 0 | 0 | 113.6 | D4447 A4451 | D4447-T4449 PolarHBondContact O-N 2.84Å; D4447-T4449 PolarHBondContact O-OG1 2.87Å; D4447-T4449 PolarHBondContact OD2-OG1 3.04Å; D4447-T4449 VanDerWaalsContact OD2-OG1 3.14Å; T4449-A4451 PolarHBondContact O-N 2.98Å | ||
| 4450 | N | 52.9 | Low | 61.7 | Low | 47 Ų | 47 | 90.3 Ų | 90.3 | 25% | 0.251 | 51% | 0.513 | S | S | . | . | trans | -59.1 | 97 | -172.4 | -71.7 | -15.1 | 0 | 0 | 0 | 113.5 | R4359 N4446 G4452 | R4359-N4450 PolarHBondContact O-OD1 2.79Å; R4359-N4450 VanDerWaalsContact O-OD1 3.11Å; N4446-N4450 PolarHBondContact OD1-ND2 3.05Å; N4450-G4452 VanDerWaalsContact C-N 3.28Å; N4450-G4452 PolarHBondContact O-N 2.96Å | ||
| 4451 | A | 49.8 | Very low | 59.8 | Low | 80 Ų | 80 | 93.4 Ų | 93.4 | 66% | 0.661 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -72.4 | -14.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T4449 C4453 | T4449-A4451 PolarHBondContact O-N 2.98Å; A4451-C4453 VanDerWaalsContact C-N 3.31Å; A4451-C4453 PolarHBondContact O-N 3.44Å |
| 4452 | G | 47.7 | Very low | 58.2 | Low | 17 Ų | 17 | 92.7 Ų | 92.7 | 18% | 0.175 | 52% | 0.521 | C | S | . | . | G | 310 helix | trans | -71.2 | -10.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | N4450 | N4450-G4452 VanDerWaalsContact C-N 3.28Å; N4450-G4452 PolarHBondContact O-N 2.96Å |
| 4453 | C | 45.6 | Very low | 56.8 | Low | 88 Ų | 88 | 98.1 Ų | 98.1 | 60% | 0.595 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -107 | 7.5 | -172.1 | -77.3 | 0 | 0 | 0 | 0 | 116.4 | A4451 | A4451-C4453 VanDerWaalsContact C-N 3.31Å; A4451-C4453 PolarHBondContact O-N 3.44Å |
| 4454 | R | 43.4 | Very low | 55.5 | Low | 225 Ų | 225 | 100 Ų | 100 | 85% | 0.849 | 56% | 0.561 | S | S | * | * | trans | -94.2 | 122.8 | -177.2 | -65.2 | -171.3 | -179.9 | -166.7 | 0.5 | 113.1 | ||||
| 4455 | L | 38.8 | Very low | 54.3 | Low | 175 Ų | 175 | 104.3 Ų | 104.3 | 92% | 0.916 | 59% | 0.587 | S | S | * | * | trans | -81.9 | 119.1 | 175.5 | -79.5 | 118.6 | 0 | 0 | 0 | 111.4 | ||||
| 4456 | T | 39 | Very low | 53.1 | Low | 139 Ų | 139 | 108.3 Ų | 108.3 | 85% | 0.853 | 61% | 0.605 | S | S | * | * | trans | -140 | 107.2 | 169.8 | 54.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 4457 | G | 38.3 | Very low | 52.1 | Low | 71 Ų | 71 | 115 Ų | 115 | 73% | 0.732 | 63% | 0.633 | S | S | * | * | trans | -140.9 | 24.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 4458 | F | 41.5 | Very low | 51.5 | Low | 189 Ų | 189 | 116.6 Ų | 116.6 | 83% | 0.829 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -113.6 | -19.7 | -171.6 | -126.8 | -91.9 | 0 | 0 | 0 | 117.2 | ||
| 4459 | L | 41.1 | Very low | 51.3 | Low | 147 Ų | 147 | 114.9 Ų | 114.9 | 77% | 0.77 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -89.8 | -26.9 | -169.8 | -138 | 80.8 | 0 | 0 | 0 | 114.7 | L4461 | L4459-L4461 PolarHBondContact O-N 2.87Š|
| 4460 | T | 42.5 | Very low | 51.2 | Low | 116 Ų | 116 | 117.1 Ų | 117.1 | 71% | 0.712 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.9 | -20.9 | -170.3 | -10.6 | 0 | 0 | 0 | 0 | 113.9 | T4464 | T4460-T4464 PolarHBondContact O-OG1 2.99Å |
| 4461 | L | 43.6 | Very low | 51.6 | Low | 140 Ų | 140 | 119.1 Ų | 119.1 | 73% | 0.733 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -77.4 | -25.7 | -173.2 | -148.4 | 85.2 | 0 | 0 | 0 | 113.4 | L4459 | L4459-L4461 PolarHBondContact O-N 2.87Å |
| 4462 | I | 53.2 | Low | 52 | Low | 111 Ų | 111 | 124.7 Ų | 124.7 | 57% | 0.569 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -79.2 | -36.3 | -173.3 | -63.9 | 175.4 | 0 | 0 | 0 | 111.6 | T4464 | I4462-T4464 VanDerWaalsContact C-N 3.32Å; I4462-T4464 PolarHBondContact O-N 2.97Å |
| 4463 | I | 61.3 | Low | 52.4 | Low | 122 Ų | 122 | 131.4 Ų | 131.4 | 63% | 0.626 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -69 | -33.3 | -173.6 | -62.1 | 174.9 | 0 | 0 | 0 | 111.3 | ||
| 4464 | T | 61.1 | Low | 52.7 | Low | 95 Ų | 95 | 133.4 Ų | 133.4 | 58% | 0.583 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -72 | -31.8 | -176.4 | -5 | 0 | 0 | 0 | 0 | 112.8 | T4460 I4462 S4468 | T4460-T4464 PolarHBondContact O-OG1 2.99Å; I4462-T4464 VanDerWaalsContact C-N 3.32Å; I4462-T4464 PolarHBondContact O-N 2.97Å; T4464-S4468 PolarHBondContact O-OG 3.2Å |
| 4465 | V | 66.3 | Low | 53.1 | Low | 90 Ų | 90 | 129.2 Ų | 129.2 | 55% | 0.545 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -74.5 | -34.1 | -175.5 | 178.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 4466 | L | 61.7 | Low | 53.7 | Low | 119 Ų | 119 | 125.7 Ų | 125.7 | 62% | 0.623 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -69.6 | -34.4 | -177.5 | -88.8 | 150.9 | 0 | 0 | 0 | 113.4 | ||
| 4467 | F | 64.3 | Low | 54.4 | Low | 168 Ų | 168 | 129.8 Ų | 129.8 | 74% | 0.737 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -73.3 | -28.6 | -176.8 | -123.1 | -90.8 | 0 | 0 | 0 | 113.1 | ||
| 4468 | S | 61.5 | Low | 55.5 | Low | 76 Ų | 76 | 132.7 Ų | 132.7 | 53% | 0.531 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -74.2 | -25.7 | -178.5 | -45 | 0 | 0 | 0 | 0 | 113.5 | T4464 T4471 | T4464-S4468 PolarHBondContact O-OG 3.2Å; S4468-T4471 PolarHBondContact O-OG1 2.83Å |
| 4469 | L | 61.6 | Low | 55.9 | Low | 114 Ų | 114 | 134 Ų | 134 | 60% | 0.597 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -80.1 | -32.2 | -177.2 | -88.1 | 148.5 | 0 | 0 | 0 | 113.2 | ||
| 4470 | L | 59.7 | Low | 56 | Low | 130 Ų | 130 | 134.8 Ų | 134.8 | 68% | 0.681 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -71.8 | -31.7 | -176.7 | -116.1 | 92.9 | 0 | 0 | 0 | 113.3 | ||
| 4471 | T | 62.5 | Low | 56.3 | Low | 89 Ų | 89 | 142 Ų | 142 | 55% | 0.546 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -77 | -22.7 | -175 | 38.8 | 0 | 0 | 0 | 0 | 113.1 | S4468 | S4468-T4471 PolarHBondContact O-OG1 2.83Å |
| 4472 | Y | 58.2 | Low | 57 | Low | 198 Ų | 198 | 142.1 Ų | 142.1 | 78% | 0.776 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -79.4 | -21 | -177.1 | -117.3 | -90.1 | 0 | 0 | 0 | 114.6 | ||
| 4473 | H | 54.6 | Low | 57.2 | Low | 157 Ų | 157 | 143.7 Ų | 143.7 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -92.5 | -15.6 | -171.8 | -89.9 | -50.3 | 0 | 0 | 0 | 116 | ||
| 4474 | L | 52.3 | Low | 56.9 | Low | 130 Ų | 130 | 144.9 Ų | 144.9 | 68% | 0.681 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -97.6 | -15.4 | -170.1 | -87.4 | 149.2 | 0 | 0 | 0 | 115.2 | ||
| 4475 | L | 51.9 | Low | 56.7 | Low | 137 Ų | 137 | 147.9 Ų | 147.9 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -73.2 | -29.3 | -175.7 | -90.8 | 131.9 | 0 | 0 | 0 | 116.7 | R4477 | L4475-R4477 PolarHBondContact O-N 2.84Š|
| 4476 | P | 52.4 | Low | 56.1 | Low | 101 Ų | 101 | 151.5 Ų | 151.5 | 66% | 0.656 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -84 | -4.2 | -175 | -13.2 | 29.5 | 0 | 0 | 0 | 116.4 | ||
| 4477 | R | 52.6 | Low | 55.7 | Low | 225 Ų | 225 | 153.7 Ų | 153.7 | 85% | 0.849 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -96.1 | -6.1 | -175 | -79.1 | -170.7 | 177.1 | -175.7 | -0.1 | 115.7 | L4475 | L4475-R4477 PolarHBondContact O-N 2.84Š|
| 4478 | I | 61.3 | Low | 55.1 | Low | 133 Ų | 133 | 152.6 Ų | 152.6 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -90.5 | -18.8 | -176.5 | -64.1 | 174.2 | 0 | 0 | 0 | 112.4 | L4480 | I4478-L4480 PolarHBondContact O-N 3.43Š|
| 4479 | Y | 49.9 | Very low | 54.6 | Low | 215 Ų | 215 | 158.5 Ų | 158.5 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | 15.9 | -175.7 | -92.2 | -78.6 | 0 | 0 | 0 | 116 | ||
| 4480 | L | 43.9 | Very low | 54 | Low | 165 Ų | 165 | 162.3 Ų | 162.3 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131 | 18.6 | 179.9 | -110.9 | 148.9 | 0 | 0 | 0 | 114.7 | I4478 | I4478-L4480 PolarHBondContact O-N 3.43Š|
| 4481 | F | 49 | Very low | 53.5 | Low | 267 Ų | 267 | 165.2 Ų | 165.2 | 100% | 1.171 | 77% | 0.774 | S | S | * | * | trans | -111 | 0 | 159.1 | -95.9 | -83.8 | 0 | 0 | 0 | 108.3 |
Retrieved 4,481 of 4,481 residues in 5959.4 ms
(Link to these results)