| 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 | 37 | Very low | 45.8 | Very low | 246 Ų | 246 | 181.4 Ų | 181.4 | 100% | 1.212 | 80% | 0.802 | S | S | * | * | 0 | 45.7 | 0 | -84.4 | 176.8 | 162.7 | 0 | 0 | 113.6 | |||||
| 2 | R | 42.5 | Very low | 46.1 | Very low | 245 Ų | 245 | 175.1 Ų | 175.1 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -119.1 | 12.8 | 179.5 | -101.4 | -176.7 | 179.9 | 179.9 | 0.3 | 115.4 | ||||
| 3 | F | 39.4 | Very low | 46.2 | Very low | 207 Ų | 207 | 167.2 Ų | 167.2 | 91% | 0.908 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -93.3 | 0.7 | -178.6 | -104.5 | -87.4 | 0 | 0 | 0 | 115.6 | ||
| 4 | E | 41.6 | Very low | 46.4 | Very low | 162 Ų | 162 | 162.1 Ų | 162.1 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -90.2 | -11.1 | -176.5 | -78.2 | -114 | 145.3 | 0 | 0 | 115.2 | ||
| 5 | L | 45.1 | Very low | 46.2 | Very low | 139 Ų | 139 | 155.6 Ų | 155.6 | 73% | 0.728 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -80.9 | -18.7 | -173.3 | -141.6 | 77.1 | 0 | 0 | 0 | 114.6 | ||
| 6 | R | 46.9 | Very low | 46 | Very low | 225 Ų | 225 | 156.8 Ų | 156.8 | 85% | 0.849 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -80.5 | -22.4 | -178.9 | -81.7 | -172 | 175.1 | -168.8 | -1 | 114.3 | ||
| 7 | R | 48.7 | Very low | 45.7 | Very low | 209 Ų | 209 | 155.8 Ų | 155.8 | 79% | 0.789 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -79.7 | -26.5 | -178.4 | -115.2 | 179.9 | -179.8 | -169.6 | -0.7 | 113.7 | ||
| 8 | R | 48.9 | Very low | 45.5 | Very low | 190 Ų | 190 | 157.1 Ų | 157.1 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -74.6 | -29.5 | 177.6 | -74.8 | -173 | 178.4 | -168.1 | -0.5 | 113.5 | I12 | R8-I12 WeakPolarHBondContact O-CD1 3.36Å; R8-I12 WeakPolarHBondContact O-CG1 3.35Å |
| 9 | I | 51.3 | Low | 45.2 | Very low | 114 Ų | 114 | 156 Ų | 156 | 59% | 0.585 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -74 | -32.5 | -179.8 | -60.4 | 175.4 | 0 | 0 | 0 | 111.2 | ||
| 10 | L | 51.6 | Low | 44.9 | Very low | 129 Ų | 129 | 155.8 Ų | 155.8 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -76.6 | -33.6 | -179 | -147.3 | 77.2 | 0 | 0 | 0 | 113.2 | C13 V14 | L10-C13 PolarHBondContact O-N 3.15Å; L10-V14 PolarHBondContact O-N 2.69Å |
| 11 | L | 51.3 | Low | 44.5 | Very low | 129 Ų | 129 | 153.8 Ų | 153.8 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -72.4 | -29.9 | 176.9 | -95.7 | 95.3 | 0 | 0 | 0 | 113.2 | C13 V14 A15 | L11-C13 VanDerWaalsContact C-N 3.31Å; L11-V14 PolarHBondContact O-N 2.9Å; L11-A15 PolarHBondContact O-N 2.75Å |
| 12 | I | 49.1 | Very low | 44.5 | Very low | 106 Ų | 106 | 146.8 Ų | 146.8 | 54% | 0.544 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -71.1 | -30.8 | 176.9 | -63.2 | 168.9 | 0 | 0 | 0 | 110.7 | R8 F16 | R8-I12 WeakPolarHBondContact O-CD1 3.36Å; R8-I12 WeakPolarHBondContact O-CG1 3.35Å; I12-F16 HydrophobicContact CG2-CD2 4.23Å; I12-F16 HydrophobicContact CG2-CE2 4.47Å; I12-F16 PolarHBondContact O-N 2.83Å |
| 13 | C | 47.1 | Very low | 44.5 | Very low | 72 Ų | 72 | 143.7 Ų | 143.7 | 49% | 0.486 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -71.9 | -32.5 | 176.9 | -69 | 0 | 0 | 0 | 0 | 113.3 | L10 L11 | L10-C13 PolarHBondContact O-N 3.15Å; L11-C13 VanDerWaalsContact C-N 3.31Å |
| 14 | V | 49.5 | Very low | 44.9 | Very low | 96 Ų | 96 | 138.2 Ų | 138.2 | 58% | 0.582 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -78.2 | -30.3 | 179.6 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | L10 L11 F16 | L10-V14 PolarHBondContact O-N 2.69Å; L11-V14 PolarHBondContact O-N 2.9Å; V14-F16 VanDerWaalsContact C-N 3.32Å; V14-F16 PolarHBondContact O-N 2.84Å |
| 15 | A | 43.8 | Very low | 45.2 | Very low | 65 Ų | 65 | 137.8 Ų | 137.8 | 54% | 0.537 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -71.7 | -24.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L11 | L11-A15 PolarHBondContact O-N 2.75Å |
| 16 | F | 42.1 | Very low | 45.9 | Very low | 174 Ų | 174 | 135.5 Ų | 135.5 | 76% | 0.763 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -7.6 | 178.7 | -94 | -84.2 | 0 | 0 | 0 | 114.7 | I12 V14 | I12-F16 HydrophobicContact CG2-CD2 4.23Å; I12-F16 HydrophobicContact CG2-CE2 4.47Å; I12-F16 PolarHBondContact O-N 2.83Å; V14-F16 VanDerWaalsContact C-N 3.32Å; V14-F16 PolarHBondContact O-N 2.84Å |
| 17 | L | 40.9 | Very low | 46.8 | Very low | 140 Ų | 140 | 128.5 Ų | 128.5 | 73% | 0.733 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -93.2 | -7.8 | -178 | -93.3 | 158.8 | 0 | 0 | 0 | 114.7 | ||
| 18 | F | 41.5 | Very low | 48 | Very low | 180 Ų | 180 | 123.3 Ų | 123.3 | 79% | 0.789 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -125.4 | 3.2 | -172.7 | -88.5 | -76.2 | 0 | 0 | 0 | 116.9 | ||
| 19 | I | 40.4 | Very low | 49.5 | Very low | 136 Ų | 136 | 114.4 Ų | 114.4 | 70% | 0.697 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -123.9 | 114.8 | 177.6 | -49.7 | 179.8 | 0 | 0 | 0 | 107.5 | ||
| 20 | L | 38.7 | Very low | 51 | Low | 152 Ų | 152 | 114 Ų | 114 | 80% | 0.796 | 62% | 0.616 | S | S | * | * | trans | 82.6 | 55.4 | -177.6 | -42.5 | 174 | 0 | 0 | 0 | 115.3 | P22 | L20-P22 VanDerWaalsContact C-CD 3.43Å; L20-P22 VanDerWaalsContact C-N 3.26Å; L20-P22 WeakPolarHBondContact O-CD 3.46Å | ||
| 21 | C | 36.7 | Very low | 52.7 | Low | 113 Ų | 113 | 109 Ų | 109 | 76% | 0.764 | 59% | 0.59 | S | S | * | * | -70.5 | 101.9 | 122.6 | -111 | 0 | 0 | 0 | 0 | 103.9 | F23 | C21-F23 PolarHBondContact O-N 3.23Š| |||
| 22 | P | 38.2 | Very low | 54.2 | Low | 99 Ų | 99 | 105 Ų | 105 | 64% | 0.643 | 57% | 0.571 | S | S | * | * | trans | -59.2 | 111.9 | 154.1 | 29.7 | -27.7 | 0 | 0 | 0 | 101.7 | L20 S24 | L20-P22 VanDerWaalsContact C-CD 3.43Å; L20-P22 VanDerWaalsContact C-N 3.26Å; L20-P22 WeakPolarHBondContact O-CD 3.46Å; P22-S24 PolarHBondContact O-N 2.98Å | ||
| 23 | F | 41.4 | Very low | 55.7 | Low | 180 Ų | 180 | 103.1 Ų | 103.1 | 79% | 0.789 | 56% | 0.562 | S | S | * | * | trans | -55.5 | 86.9 | 144.8 | -74.1 | -88.2 | 0 | 0 | 0 | 103 | C21 N25 | C21-F23 PolarHBondContact O-N 3.23Å; F23-N25 PolarHBondContact O-N 2.89Å | ||
| 24 | S | 47.7 | Very low | 57.7 | Low | 93 Ų | 93 | 111 Ų | 111 | 65% | 0.65 | 58% | 0.581 | S | S | * | * | trans | -50.9 | 103.3 | 154 | 53.4 | 0 | 0 | 0 | 0 | 100.9 | P22 S26 | P22-S24 PolarHBondContact O-N 2.98Å; S24-S26 PolarHBondContact O-N 2.92Å | ||
| 25 | N | 47.9 | Very low | 59.7 | Low | 153 Ų | 153 | 107 Ų | 107 | 82% | 0.818 | 56% | 0.557 | S | S | * | * | trans | -53.4 | 95.4 | 169.2 | -85.3 | -31.9 | 0 | 0 | 0 | 103.3 | F23 F27 | F23-N25 PolarHBondContact O-N 2.89Å; N25-F27 VanDerWaalsContact C-N 3.26Å; N25-F27 PolarHBondContact O-N 2.83Å | ||
| 26 | S | 59.7 | Low | 61.9 | Low | 91 Ų | 91 | 110 Ų | 110 | 64% | 0.636 | 56% | 0.56 | S | S | * | * | trans | -66.8 | 101.3 | -177 | 53.3 | 0 | 0 | 0 | 0 | 102.9 | S24 I28 | S24-S26 PolarHBondContact O-N 2.92Å; S26-I28 VanDerWaalsContact C-N 3.31Å; S26-I28 PolarHBondContact O-N 2.65Å | ||
| 27 | F | 67.4 | Low | 64.3 | Low | 77 Ų | 77 | 104.6 Ų | 104.6 | 34% | 0.338 | 54% | 0.541 | S | S | . | . | trans | -65.8 | 99 | -178.8 | 179.8 | -95.1 | 0 | 0 | 0 | 106.6 | N25 P29 V53 E55 Q58 | N25-F27 VanDerWaalsContact C-N 3.26Å; N25-F27 PolarHBondContact O-N 2.83Å; F27-P29 HydrophobicContact CE1-CB 4.28Å; F27-P29 WeakPolarHBondContact O-CD 3.46Å; F27-V53 HydrophobicContact CE1-CB 4.37Å; F27-V53 HydrophobicContact CE1-CG1 4Å; F27-V53 HydrophobicContact CE2-CG1 4.38Å; F27-V53 HydrophobicContact CZ-CB 3.81Å; F27-V53 HydrophobicContact CZ-CG1 3.43Å; F27-V53 VanDerWaalsContact CZ-CG1 3.43Å; F27-E55 HydrophobicContact CD1-CG 3.6Å; F27-E55 HydrophobicContact CE1-CG 3.98Å; F27-E55 HydrophobicContact CG-CG 4.24Å; F27-Q58 PolarHBondContact O-NE2 3.41Å | ||
| 28 | I | 73.5 | Confident | 66.7 | Low | 100 Ų | 100 | 98.4 Ų | 98.4 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | trans | -78.3 | 113.1 | 173 | -55.7 | 176.9 | 0 | 0 | 0 | 105 | S26 Q30 | S26-I28 VanDerWaalsContact C-N 3.31Å; S26-I28 PolarHBondContact O-N 2.65Å; I28-Q30 VanDerWaalsContact CG2-NE2 3.32Å; I28-Q30 WeakPolarHBondContact O-CG 3.05Å; I28-Q30 PolarHBondContact O-N 3.33Å; I28-Q30 PolarHBondContact O-NE2 3.5Å | ||
| 29 | P | 79.7 | Confident | 69.1 | Low | 3 Ų | 3 | 92.7 Ų | 92.7 | 2% | 0.019 | 49% | 0.49 | C | S | . | . | trans | -59.6 | 138.8 | 179.3 | 27.1 | -34.7 | 0 | 0 | 0 | 109.2 | F27 V53 I139 L141 P150 | F27-P29 HydrophobicContact CE1-CB 4.28Å; F27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-V53 VanDerWaalsContact CB-O 3.23Å; P29-V53 WeakPolarHBondContact CB-O 3.24Å; P29-I139 HydrophobicContact CB-CD1 4.02Å; P29-I139 HydrophobicContact CB-CG2 4.37Å; P29-I139 HydrophobicContact CG-CD1 4.47Å; P29-I139 HydrophobicContact CG-CG2 3.97Å; P29-L141 HydrophobicContact CG-CD2 3.59Å; P29-P150 WeakPolarHBondContact O-CG 3.42Å | ||
| 30 | Q | 83.3 | Confident | 71.6 | Confident | 105 Ų | 105 | 87.2 Ų | 87.2 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | trans | -124.7 | 145.5 | -178.8 | -63.9 | -60.8 | -50.4 | 0 | 0 | 109.5 | I28 A52 V53 | I28-Q30 VanDerWaalsContact CG2-NE2 3.32Å; I28-Q30 WeakPolarHBondContact O-CG 3.05Å; I28-Q30 PolarHBondContact O-N 3.33Å; I28-Q30 PolarHBondContact O-NE2 3.5Å; Q30-A52 VanDerWaalsContact O-CA 3.32Å; Q30-A52 WeakPolarHBondContact O-CA 3.28Å; Q30-A52 WeakPolarHBondContact O-CB 3.39Å; Q30-V53 PolarHBondContact O-N 2.97Å; Q30-V53 VanDerWaalsContact O-N 3.15Å | ||
| 31 | I | 86.8 | Confident | 74.1 | Confident | 26 Ų | 26 | 85.3 Ų | 85.3 | 13% | 0.133 | 45% | 0.45 | C | S | . | . | B | Isolated β-bridge | trans | -73.5 | 128 | 166.3 | -59.1 | 173.6 | 0 | 0 | 0 | 106.6 | D33 T51 A52 I139 P150 V151 A152 | I31-D33 WeakPolarHBondContact CG2-O 3.38Å; I31-T51 CarbonylContact C-O 3.55Å; I31-T51 WeakPolarHBondContact CA-O 3.18Å; I31-T51 WeakPolarHBondContact CG2-O 3.26Å; I31-A52 HydrophobicContact CG1-CB 4.43Å; I31-I139 HydrophobicContact CG1-CD1 3.92Å; I31-I139 HydrophobicContact CG1-CG1 4.02Å; I31-P150 HydrophobicContact CG1-CB 4.4Å; I31-V151 VanDerWaalsContact CD1-C 3.45Å; I31-A152 HydrophobicContact CB-CB 4.47Å; I31-A152 HydrophobicContact CD1-CB 3.6Å; I31-A152 VanDerWaalsContact CD1-N 3.34Å; I31-A152 HydrophobicContact CG2-CB 3.78Å |
| 32 | T | 82.1 | Confident | 76.7 | Confident | 45 Ų | 45 | 84.9 Ų | 84.9 | 28% | 0.276 | 44% | 0.437 | S | S | . | . | trans | -72.1 | -44.3 | -169.8 | 60.8 | 0 | 0 | 0 | 0 | 112.3 | T51 V53 L116 | T32-T51 HydrophobicContact CG2-CG2 4.34Å; T32-T51 PolarHBondContact N-O 3.06Å; T32-T51 WeakPolarHBondContact OG1-CB 3.36Å; T32-T51 PolarHBondContact OG1-O 2.67Å; T32-V53 HydrophobicContact CG2-CG2 3.8Å; T32-L116 HydrophobicContact CG2-CD2 3.74Å | ||
| 33 | D | 81.9 | Confident | 79.2 | Confident | 65 Ų | 65 | 88.4 Ų | 88.4 | 35% | 0.348 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -137 | 162.1 | -169.7 | -60.9 | -74.7 | 0 | 0 | 0 | 111.4 | I31 | I31-D33 WeakPolarHBondContact CG2-O 3.38Š|
| 34 | R | 87.9 | Confident | 81.7 | Confident | 237 Ų | 237 | 80.9 Ų | 80.9 | 89% | 0.894 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 144.6 | 168.7 | -65.3 | -176.1 | 179 | -170.9 | -0.1 | 109.5 | E36 | R34-E36 PolarHBondContact O-N 2.8Š|
| 35 | I | 91.7 | Very high | 84 | Confident | 12 Ų | 12 | 78.8 Ų | 78.8 | 6% | 0.062 | 40% | 0.399 | C | S | . | . | P | Polyproline II helix | trans | -71.7 | 122.9 | 176.3 | -60.7 | 160.1 | 0 | 0 | 0 | 108.5 | L48 C50 W64 C137 A152 | I35-L48 HydrophobicContact CG2-CB 3.98Å; I35-L48 HydrophobicContact CG2-CD2 3.87Å; I35-L48 HydrophobicContact CG2-CG 4.48Å; I35-C50 HydrophobicContact CD1-CB 4.33Å; I35-C50 HydrophobicContact CG1-CB 4.38Å; I35-W64 HydrophobicContact CD1-CH2 3.51Å; I35-W64 HydrophobicContact CD1-CZ3 3.76Å; I35-W64 HydrophobicContact CG1-CH2 4.25Å; I35-W64 HydrophobicContact CG2-CH2 4.36Å; I35-C137 HydrophobicContact CD1-CB 3.74Å; I35-A152 HydrophobicContact CD1-CB 3.78Å; I35-A152 HydrophobicContact CG1-CB 4.07Å |
| 36 | E | 90.7 | Very high | 86.3 | Confident | 128 Ų | 128 | 71.5 Ų | 71.5 | 60% | 0.598 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 138.9 | 174.1 | -67 | -176.1 | 171.9 | 0 | 0 | 110.9 | R34 A38 L48 Y104 | R34-E36 PolarHBondContact O-N 2.8Å; E36-A38 PolarHBondContact O-N 2.96Å; E36-L48 WeakPolarHBondContact O-CD2 3.38Å; E36-Y104 WeakPolarHBondContact OE1-CD1 3.36Å |
| 37 | T | 91.5 | Very high | 88 | Confident | 61 Ų | 61 | 72.8 Ų | 72.8 | 37% | 0.374 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 124.8 | 179.4 | -64.6 | 0 | 0 | 0 | 0 | 110 | V39 N155 I157 | T37-V39 PolarHBondContact O-N 3.4Å; T37-N155 WeakPolarHBondContact CA-O 3.42Å; T37-N155 HydrophobicContact CG2-CB 4.28Å; T37-N155 WeakPolarHBondContact CG2-O 3.14Å; T37-I157 HydrophobicContact CG2-CB 4.23Å; T37-I157 HydrophobicContact CG2-CD1 3.53Å; T37-I157 HydrophobicContact CG2-CG1 3.52Å |
| 38 | A | 92.4 | Very high | 89.4 | Confident | 11 Ų | 11 | 69.1 Ų | 69.1 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 122.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | E36 V40 A46 L48 N155 I156 I157 | E36-A38 PolarHBondContact O-N 2.96Å; A38-V40 HydrophobicContact CB-CG2 4.4Å; A38-A46 HydrophobicContact CB-CB 3.82Å; A38-L48 HydrophobicContact CB-CD2 3.87Å; A38-N155 PolarHBondContact N-O 2.8Å; A38-N155 VanDerWaalsContact N-O 3.12Å; A38-I156 HydrophobicContact CB-CG1 4.44Å; A38-I156 CarbonylContact O-C 3.56Å; A38-I156 WeakPolarHBondContact O-CA 3.31Å; A38-I157 PolarHBondContact O-N 2.87Å |
| 39 | V | 91.8 | Very high | 90.3 | Very high | 59 Ų | 59 | 67.8 Ų | 67.8 | 36% | 0.358 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 107.5 | -178.9 | -168.9 | 0 | 0 | 0 | 0 | 110.2 | T37 I157 K159 P189 | T37-V39 PolarHBondContact O-N 3.4Å; V39-I157 CarbonylContact C-O 3.49Å; V39-I157 WeakPolarHBondContact CA-O 3.01Å; V39-I157 HydrophobicContact CG1-CB 4.3Å; V39-I157 HydrophobicContact CG1-CG2 4.04Å; V39-I157 HydrophobicContact CG2-CB 4.25Å; V39-I157 HydrophobicContact CG2-CD1 4.48Å; V39-K159 HydrophobicContact CG1-CD 4.24Å; V39-K159 HydrophobicContact CG1-CG 3.68Å; V39-P189 HydrophobicContact CG1-CG 4.46Å |
| 40 | V | 93.4 | Very high | 91 | Very high | 22 Ų | 22 | 67.6 Ų | 67.6 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 146.2 | -166.1 | -170.6 | 0 | 0 | 0 | 0 | 111.4 | A38 A46 V126 I157 V158 K159 | A38-V40 HydrophobicContact CB-CG2 4.4Å; V40-A46 HydrophobicContact CG2-CB 3.75Å; V40-V126 HydrophobicContact CG1-CG2 4.45Å; V40-I157 PolarHBondContact N-O 3.32Å; V40-V158 CarbonylContact O-C 3.57Å; V40-V158 VanDerWaalsContact O-CA 3.27Å; V40-V158 WeakPolarHBondContact O-CA 3.01Å; V40-K159 PolarHBondContact O-N 3.37Å |
| 41 | Q | 91.5 | Very high | 91.3 | Very high | 111 Ų | 111 | 63.2 Ų | 63.2 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 159.5 | 172.1 | -65.3 | 175.5 | -18.3 | 0 | 0 | 111.5 | G44 K159 | Q41-G44 PolarHBondContact O-N 2.85Å; Q41-K159 HydrophobicContact CG-CB 3.97Å; Q41-K159 HydrophobicContact CG-CD 3.91Å; Q41-K159 HydrophobicContact CG-CG 4.46Å |
| 42 | E | 90.4 | Very high | 91.4 | Very high | 105 Ų | 105 | 62 Ų | 62 | 49% | 0.491 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 145.1 | 170.9 | -72.6 | -169.7 | 178.1 | 0 | 0 | 111.6 | G44 V126 V158 | E42-G44 PolarHBondContact O-N 3.25Å; E42-V126 CarbonylContact C-O 3.56Å; E42-V158 HydrophobicContact CG-CG1 3.71Å |
| 43 | K | 91.3 | Very high | 91.5 | Very high | 173 Ų | 173 | 60.7 Ų | 60.7 | 75% | 0.752 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | -2.1 | -175.5 | -50.7 | 171.4 | -177.1 | 173.4 | 0 | 114.4 | V126 | K43-V126 PolarHBondContact N-O 2.88Š|
| 44 | G | 93 | Very high | 91.4 | Very high | 22 Ų | 22 | 58 Ų | 58 | 23% | 0.227 | 28% | 0.28 | C | S | . | . | trans | -72.3 | -173 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q41 E42 F125 V126 | Q41-G44 PolarHBondContact O-N 2.85Å; E42-G44 PolarHBondContact O-N 3.25Å; G44-F125 PolarHBondContact O-N 2.94Å; G44-F125 VanDerWaalsContact O-N 3.12Å; G44-V126 WeakPolarHBondContact O-CG2 3.45Å; G44-V126 PolarHBondContact O-N 2.87Å | ||
| 45 | T | 95.5 | Very high | 90.8 | Very high | 49 Ų | 49 | 49.3 Ų | 49.3 | 30% | 0.301 | 25% | 0.249 | S | C | . | . | trans | -120.9 | 126.1 | 176.4 | -59.3 | 0 | 0 | 0 | 0 | 110 | Y47 I122 V123 R124 | T45-Y47 HydrophobicContact CG2-CE1 3.92Å; T45-Y47 HydrophobicContact CG2-CE2 4.1Å; T45-I122 HydrophobicContact CG2-CG2 3.39Å; T45-V123 CarbonylContact C-O 3.46Å; T45-V123 WeakPolarHBondContact CA-O 3.19Å; T45-R124 HydrophobicContact CG2-CG 4.29Å | ||
| 46 | A | 96.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 148.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A38 V40 I122 V123 V126 I156 | A38-A46 HydrophobicContact CB-CB 3.82Å; V40-A46 HydrophobicContact CG2-CB 3.75Å; A46-I122 WeakPolarHBondContact O-CA 3.38Å; A46-V123 HydrophobicContact CB-CB 4.29Å; A46-V123 PolarHBondContact N-O 2.77Å; A46-V123 PolarHBondContact O-N 2.9Å; A46-V126 HydrophobicContact CB-CG2 3.84Å; A46-I156 HydrophobicContact CB-CD1 3.67Å; A46-I156 HydrophobicContact CB-CG1 4.04Å; A46-I156 HydrophobicContact CB-CG2 4.16Å |
| 47 | Y | 96.2 | Very high | 88.6 | Confident | 118 Ų | 118 | 59.9 Ų | 59.9 | 46% | 0.463 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 120.4 | -177 | -58.6 | -78.2 | 0 | 0 | 0 | 109.1 | T45 Q120 L121 I122 | T45-Y47 HydrophobicContact CG2-CE1 3.92Å; T45-Y47 HydrophobicContact CG2-CE2 4.1Å; Y47-Q120 HydrophobicContact CD1-CG 4.34Å; Y47-Q120 VanDerWaalsContact CD1-OE1 3.22Å; Y47-L121 WeakPolarHBondContact CA-O 3.31Å; Y47-I122 HydrophobicContact CD1-CG1 3.98Å; Y47-I122 HydrophobicContact CD1-CG2 4.26Å; Y47-I122 HydrophobicContact CE1-CD1 4.42Å; Y47-I122 HydrophobicContact CE1-CG1 4.1Å; Y47-I122 HydrophobicContact CE1-CG2 3.91Å |
| 48 | L | 96.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 118.7 | 177 | -63.3 | 172.6 | 0 | 0 | 0 | 108.4 | I35 E36 A38 W64 Q120 L121 F135 I156 | I35-L48 HydrophobicContact CG2-CB 3.98Å; I35-L48 HydrophobicContact CG2-CD2 3.87Å; I35-L48 HydrophobicContact CG2-CG 4.48Å; E36-L48 WeakPolarHBondContact O-CD2 3.38Å; A38-L48 HydrophobicContact CB-CD2 3.87Å; L48-W64 HydrophobicContact CB-CH2 3.69Å; L48-W64 HydrophobicContact CB-CZ2 4.27Å; L48-W64 HydrophobicContact CB-CZ3 4.26Å; L48-W64 HydrophobicContact CD1-CZ3 4.49Å; L48-W64 WeakPolarHBondContact O-CZ2 3.38Å; L48-Q120 CarbonylContact O-C 3.54Å; L48-Q120 VanDerWaalsContact O-CA 3.27Å; L48-Q120 WeakPolarHBondContact O-CA 3.49Å; L48-L121 HydrophobicContact CB-CB 4.34Å; L48-L121 HydrophobicContact CD1-CD2 4.3Å; L48-L121 PolarHBondContact N-O 2.74Å; L48-L121 PolarHBondContact O-N 3.47Å; L48-F135 HydrophobicContact CD1-CB 3.85Å; L48-F135 HydrophobicContact CD1-CD2 3.6Å; L48-F135 HydrophobicContact CD1-CE2 4.42Å; L48-F135 HydrophobicContact CD1-CG 3.85Å; L48-I156 HydrophobicContact CD1-CG1 4.34Å |
| 49 | N | 93.9 | Very high | 86.1 | Confident | 71 Ų | 71 | 65.7 Ų | 65.7 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 123.9 | -179 | -64.8 | -30.3 | 0 | 0 | 0 | 109.6 | T118 Q120 | N49-T118 HydrophobicContact CB-CG2 4.09Å; N49-Q120 WeakPolarHBondContact OD1-CB 3.26Å; N49-Q120 WeakPolarHBondContact OD1-CG 3.31Å; N49-Q120 PolarHBondContact OD1-NE2 2.88Å |
| 50 | C | 93.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.3 | 169.8 | -171.9 | 0 | 0 | 0 | 0 | 109.1 | I35 I62 W64 T118 Y119 C137 | I35-C50 HydrophobicContact CD1-CB 4.33Å; I35-C50 HydrophobicContact CG1-CB 4.38Å; C50-I62 HydrophobicContact CB-CG2 4.28Å; C50-W64 HydrophobicContact CB-CH2 3.86Å; C50-W64 HydrophobicContact CB-CZ2 3.39Å; C50-T118 WeakPolarHBondContact O-CA 3.4Å; C50-Y119 PolarHBondContact N-O 3.25Å; C50-Y119 VanDerWaalsContact N-O 3.17Å; C50-Y119 PolarHBondContact O-N 2.88Å; C50-C137 HydrophobicContact CB-CB 3.66Å; C50-C137 WeakPolarHBondContact CB-SG 3.13Å; C50-C137 WeakPolarHBondContact SG-CB 3.31Å; C50-C137 CovalentContact SG-SG 2.02Å; C50-C137 PolarHBondContact SG-SG 2.97Å |
| 51 | T | 89.5 | Confident | 84.7 | Confident | 13 Ų | 13 | 65.9 Ų | 65.9 | 8% | 0.08 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129 | -176 | -52.1 | 0 | 0 | 0 | 0 | 109.1 | I31 T32 P102 L116 R117 T118 | I31-T51 CarbonylContact C-O 3.55Å; I31-T51 WeakPolarHBondContact CA-O 3.18Å; I31-T51 WeakPolarHBondContact CG2-O 3.26Å; T32-T51 HydrophobicContact CG2-CG2 4.34Å; T32-T51 PolarHBondContact N-O 3.06Å; T32-T51 WeakPolarHBondContact OG1-CB 3.36Å; T32-T51 PolarHBondContact OG1-O 2.67Å; T51-P102 HydrophobicContact CG2-CG 4.22Å; T51-L116 HydrophobicContact CG2-CB 4.5Å; T51-L116 HydrophobicContact CG2-CD2 3.86Å; T51-R117 WeakPolarHBondContact CA-O 3.34Å; T51-T118 PolarHBondContact OG1-OG1 3.39Å |
| 52 | A | 88.8 | Confident | 84.6 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 154.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q30 I31 I54 I62 R117 I139 | Q30-A52 VanDerWaalsContact O-CA 3.32Å; Q30-A52 WeakPolarHBondContact O-CA 3.28Å; Q30-A52 WeakPolarHBondContact O-CB 3.39Å; I31-A52 HydrophobicContact CG1-CB 4.43Å; A52-I54 HydrophobicContact CB-CD1 4.45Å; A52-I54 HydrophobicContact CB-CG1 4.2Å; A52-I62 HydrophobicContact CB-CD1 3.74Å; A52-I62 HydrophobicContact CB-CG1 4.39Å; A52-R117 PolarHBondContact N-O 2.82Å; A52-R117 PolarHBondContact O-N 2.67Å; A52-I139 HydrophobicContact CB-CD1 3.51Å; A52-I139 HydrophobicContact CB-CG1 4.16Å |
| 53 | V | 83.8 | Confident | 84.7 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 119 | 168.6 | -174.1 | 0 | 0 | 0 | 0 | 107.9 | F27 P29 Q30 T32 V111 K115 L116 | F27-V53 HydrophobicContact CE1-CB 4.37Å; F27-V53 HydrophobicContact CE1-CG1 4Å; F27-V53 HydrophobicContact CE2-CG1 4.38Å; F27-V53 HydrophobicContact CZ-CB 3.81Å; F27-V53 HydrophobicContact CZ-CG1 3.43Å; F27-V53 VanDerWaalsContact CZ-CG1 3.43Å; P29-V53 VanDerWaalsContact CB-O 3.23Å; P29-V53 WeakPolarHBondContact CB-O 3.24Å; Q30-V53 PolarHBondContact O-N 2.97Å; Q30-V53 VanDerWaalsContact O-N 3.15Å; T32-V53 HydrophobicContact CG2-CG2 3.8Å; V53-V111 HydrophobicContact CG2-CG1 3.61Å; V53-K115 HydrophobicContact CG1-CB 3.67Å; V53-K115 HydrophobicContact CG1-CD 4.43Å; V53-L116 HydrophobicContact CG2-CD2 3.84Å |
| 54 | I | 80.6 | Confident | 85 | Confident | 9 Ų | 9 | 47.4 Ų | 47.4 | 5% | 0.046 | 23% | 0.233 | C | C | . | . | trans | -128.9 | 130.1 | -178.9 | -54.9 | 179.2 | 0 | 0 | 0 | 108.5 | A52 I62 K115 R117 | A52-I54 HydrophobicContact CB-CD1 4.45Å; A52-I54 HydrophobicContact CB-CG1 4.2Å; I54-I62 HydrophobicContact CD1-CG1 3.99Å; I54-K115 PolarHBondContact N-O 3.47Å; I54-R117 HydrophobicContact CB-CG 4.06Å; I54-R117 HydrophobicContact CD1-CB 4.04Å; I54-R117 HydrophobicContact CD1-CG 4.17Å; I54-R117 HydrophobicContact CG1-CB 4.41Å; I54-R117 HydrophobicContact CG1-CG 4.31Å | ||
| 55 | E | 76.4 | Confident | 85.1 | Confident | 54 Ų | 54 | 48.1 Ų | 48.1 | 25% | 0.252 | 23% | 0.229 | S | C | . | . | trans | -80.1 | 143.3 | 175.4 | -60.2 | -161.1 | 132.3 | 0 | 0 | 111.2 | F27 Q57 Q58 K115 | F27-E55 HydrophobicContact CD1-CG 3.6Å; F27-E55 HydrophobicContact CE1-CG 3.98Å; F27-E55 HydrophobicContact CG-CG 4.24Å; E55-Q57 PolarHBondContact O-N 3.5Å; E55-Q57 VanDerWaalsContact O-N 3.1Å; E55-Q58 HydrophobicContact CB-CG 4.24Å; E55-Q58 PolarHBondContact O-N 2.89Å; E55-K115 HydrophobicContact CG-CD 4.3Å; E55-K115 IonicContact OE1-NZ 2.72Å; E55-K115 PolarHBondContact OE1-NZ 2.04Å | ||
| 56 | E | 70.3 | Confident | 85 | Confident | 174 Ų | 174 | 46.7 Ų | 46.7 | 81% | 0.813 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -27.1 | -178.2 | -69 | -176.2 | 167.3 | 0 | 0 | 113.7 | Q58 | E56-Q58 VanDerWaalsContact C-N 3.32Š|
| 57 | Q | 65.9 | Low | 84.8 | Confident | 189 Ų | 189 | 49 Ų | 49 | 88% | 0.883 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -10.9 | 179 | -62.9 | -174.1 | -2.5 | 0 | 0 | 113.5 | E55 | E55-Q57 PolarHBondContact O-N 3.5Å; E55-Q57 VanDerWaalsContact O-N 3.1Å |
| 58 | Q | 65.2 | Low | 84.5 | Confident | 56 Ų | 56 | 48.1 Ų | 48.1 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -93.6 | 121.2 | 177.6 | -65.2 | -174.8 | -13.4 | 0 | 0 | 109.3 | F27 E55 E56 S60 | F27-Q58 PolarHBondContact O-NE2 3.41Å; E55-Q58 HydrophobicContact CB-CG 4.24Å; E55-Q58 PolarHBondContact O-N 2.89Å; E56-Q58 VanDerWaalsContact C-N 3.32Å; Q58-S60 PolarHBondContact O-N 3.14Å |
| 59 | E | 65 | Low | 84.3 | Confident | 138 Ų | 138 | 51.2 Ų | 51.2 | 65% | 0.645 | 26% | 0.256 | S | S | * | . | trans | -71.8 | 42.2 | 167.4 | -65.2 | -171.7 | 172.5 | 0 | 0 | 111.8 | R142 | E59-R142 IonicContact OE2-CZ 3.95Å; E59-R142 IonicContact OE2-NE 2.87Å; E59-R142 IonicContact OE2-NH1 3.29Å; E59-R142 PolarHBondContact OE2-NH1 2.99Å; E59-R142 VanDerWaalsContact OE2-NH1 3.11Å; E59-R142 IonicContact OE2-NH2 3.32Å; E59-R142 PolarHBondContact OE2-NH2 2.96Å | ||
| 60 | S | 75.4 | Confident | 84.1 | Confident | 20 Ų | 20 | 56.5 Ų | 56.5 | 14% | 0.14 | 28% | 0.276 | C | S | . | . | trans | -90.1 | 127.1 | 178.4 | -59.9 | 0 | 0 | 0 | 0 | 108.7 | Q58 L141 | Q58-S60 PolarHBondContact O-N 3.14Å; S60-L141 WeakPolarHBondContact OG-CD2 3.18Å | ||
| 61 | Q | 79.7 | Confident | 84 | Confident | 65 Ų | 65 | 57.8 Ų | 57.8 | 30% | 0.304 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 147.7 | 177.3 | 63.2 | -172.5 | -20.2 | 0 | 0 | 110.1 | S75 E140 | Q61-S75 PolarHBondContact NE2-OG 2.75Å; Q61-S75 PolarHBondContact OE1-OG 3.18Å; Q61-E140 HydrophobicContact CG-CB 4.5Å; Q61-E140 PolarHBondContact NE2-OE2 2.8Å; Q61-E140 PolarHBondContact O-N 3.49Å; Q61-E140 VanDerWaalsContact O-N 3.12Å |
| 62 | I | 90.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 126.3 | 172.2 | -57.8 | -170.2 | 0 | 0 | 0 | 108.7 | C50 A52 I54 G76 R117 Y119 C137 V138 | C50-I62 HydrophobicContact CB-CG2 4.28Å; A52-I62 HydrophobicContact CB-CD1 3.74Å; A52-I62 HydrophobicContact CB-CG1 4.39Å; I54-I62 HydrophobicContact CD1-CG1 3.99Å; I62-G76 WeakPolarHBondContact O-CA 3.33Å; I62-G76 PolarHBondContact O-N 2.87Å; I62-R117 WeakPolarHBondContact CD1-O 3.37Å; I62-Y119 HydrophobicContact CB-CD2 3.58Å; I62-Y119 HydrophobicContact CB-CE2 4.25Å; I62-Y119 HydrophobicContact CB-CG 3.91Å; I62-Y119 HydrophobicContact CD1-CD2 3.81Å; I62-Y119 HydrophobicContact CG1-CD2 3.77Å; I62-Y119 HydrophobicContact CG1-CE2 4.31Å; I62-Y119 HydrophobicContact CG2-CD2 4.49Å; I62-Y119 HydrophobicContact CG2-CG 4.47Å; I62-C137 WeakPolarHBondContact CG2-SG 3.4Å; I62-V138 WeakPolarHBondContact CA-O 3.33Å |
| 63 | S | 93.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 140.7 | 179.1 | -70.1 | 0 | 0 | 0 | 0 | 110.8 | S74 S75 C137 V138 E140 | S63-S74 WeakPolarHBondContact CA-O 3.29Å; S63-S74 WeakPolarHBondContact CB-O 3.23Å; S63-S74 PolarHBondContact OG-O 2.85Å; S63-S75 WeakPolarHBondContact OG-CA 3.37Å; S63-C137 WeakPolarHBondContact O-CA 3.42Å; S63-V138 PolarHBondContact N-O 2.96Å; S63-V138 PolarHBondContact O-N 2.79Å; S63-E140 WeakPolarHBondContact CB-OE1 3.47Å; S63-E140 PolarHBondContact OG-OE1 2.98Å; S63-E140 PolarHBondContact OG-OE2 2.78Å |
| 64 | W | 96.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 138.3 | 176 | -74.1 | 96.8 | 0 | 0 | 0 | 110.8 | I35 L48 C50 I73 S74 Y119 L121 F135 R136 C137 | I35-W64 HydrophobicContact CD1-CH2 3.51Å; I35-W64 HydrophobicContact CD1-CZ3 3.76Å; I35-W64 HydrophobicContact CG1-CH2 4.25Å; I35-W64 HydrophobicContact CG2-CH2 4.36Å; L48-W64 HydrophobicContact CB-CH2 3.69Å; L48-W64 HydrophobicContact CB-CZ2 4.27Å; L48-W64 HydrophobicContact CB-CZ3 4.26Å; L48-W64 HydrophobicContact CD1-CZ3 4.49Å; L48-W64 WeakPolarHBondContact O-CZ2 3.38Å; C50-W64 HydrophobicContact CB-CH2 3.86Å; C50-W64 HydrophobicContact CB-CZ2 3.39Å; W64-I73 HydrophobicContact CB-CB 4.21Å; W64-I73 WeakPolarHBondContact O-CA 3.06Å; W64-I73 WeakPolarHBondContact O-CB 3.28Å; W64-I73 PolarHBondContact O-N 2.7Å; W64-S74 PolarHBondContact N-O 2.82Å; W64-S74 PolarHBondContact N-OG 2.65Å; W64-S74 PolarHBondContact O-N 2.85Å; W64-S74 VanDerWaalsContact O-N 3.17Å; W64-Y119 WeakPolarHBondContact CZ2-O 3.36Å; W64-Y119 PolarHBondContact NE1-O 3.31Å; W64-L121 HydrophobicContact CB-CD1 4.49Å; W64-L121 HydrophobicContact CB-CD2 4.34Å; W64-L121 HydrophobicContact CD2-CB 3.63Å; W64-L121 HydrophobicContact CD2-CD2 3.91Å; W64-L121 HydrophobicContact CD2-CG 4.33Å; W64-L121 HydrophobicContact CE3-CB 4.12Å; W64-L121 HydrophobicContact CE3-CD2 3.73Å; W64-L121 HydrophobicContact CG-CB 3.91Å; W64-L121 HydrophobicContact CG-CD1 4.48Å; W64-L121 HydrophobicContact CG-CD2 4.2Å; W64-L121 HydrophobicContact CG-CG 4.43Å; W64-L121 HydrophobicContact CH2-CB 4.36Å; W64-L121 HydrophobicContact CZ2-CB 3.91Å; W64-L121 HydrophobicContact CZ3-CB 4.46Å; W64-L121 HydrophobicContact CZ3-CD2 4.27Å; W64-F135 HydrophobicContact CE3-CB 4.11Å; W64-F135 HydrophobicContact CZ3-CB 4.01Å; W64-R136 CarbonylContact C-O 3.44Å; W64-C137 HydrophobicContact CD2-CB 4.29Å; W64-C137 HydrophobicContact CE3-CB 3.99Å; W64-C137 HydrophobicContact CH2-CB 3.99Å; W64-C137 HydrophobicContact CZ2-CB 4.27Å; W64-C137 HydrophobicContact CZ3-CB 3.83Å |
| 65 | Y | 94.9 | Very high | 85.4 | Confident | 37 Ų | 37 | 59.2 Ų | 59.2 | 15% | 0.145 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 148.2 | 177.3 | -67.3 | -105.2 | 0 | 0 | 0 | 109.2 | Q71 Q72 R136 V138 E140 | Y65-Q71 CarbonylContact C-O 3.57Å; Y65-Q71 VanDerWaalsContact CA-O 3.27Å; Y65-Q71 WeakPolarHBondContact CA-O 3.08Å; Y65-Q72 HydrophobicContact CD1-CB 3.8Å; Y65-Q72 HydrophobicContact CD1-CG 4.13Å; Y65-Q72 HydrophobicContact CE1-CB 3.48Å; Y65-Q72 VanDerWaalsContact CE1-CB 3.48Å; Y65-Q72 HydrophobicContact CE1-CG 3.64Å; Y65-Q72 HydrophobicContact CE2-CG 4.05Å; Y65-Q72 VanDerWaalsContact OH-CD 3.26Å; Y65-Q72 PolarHBondContact OH-NE2 3.05Å; Y65-R136 PolarHBondContact N-O 3.13Å; Y65-R136 PolarHBondContact O-N 2.9Å; Y65-V138 HydrophobicContact CD2-CG2 3.74Å; Y65-V138 HydrophobicContact CE2-CG2 3.29Å; Y65-E140 PolarHBondContact OH-OE1 2.91Å |
| 66 | R | 94 | Very high | 86 | Confident | 19 Ų | 19 | 56.7 Ų | 56.7 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 131.4 | 165.2 | -174.3 | 171.1 | 55.5 | -158.4 | -13.4 | 108.9 | V68 D69 K70 Q71 I73 R84 Y93 T133 | R66-V68 HydrophobicContact CG-CB 4.37Å; R66-D69 IonicContact CZ-OD1 2.75Å; R66-D69 IonicContact CZ-OD2 3.92Å; R66-D69 IonicContact NE-OD1 2.82Å; R66-D69 PolarHBondContact NE-OD1 3.2Å; R66-D69 IonicContact NE-OD2 3.6Å; R66-D69 VanDerWaalsContact NH2-CG 3.27Å; R66-D69 IonicContact NH2-OD1 2.66Å; R66-D69 PolarHBondContact NH2-OD1 3.29Å; R66-D69 IonicContact NH2-OD2 3.11Å; R66-D69 PolarHBondContact NH2-OD2 2.86Å; R66-K70 CarbonylContact O-C 3.6Å; R66-K70 VanDerWaalsContact O-CA 3.23Å; R66-K70 WeakPolarHBondContact O-CA 3.1Å; R66-K70 PolarHBondContact O-N 2.75Å; R66-K70 VanDerWaalsContact O-N 3.12Å; R66-Q71 PolarHBondContact N-O 2.97Å; R66-Q71 PolarHBondContact O-N 2.9Å; R66-I73 HydrophobicContact CB-CD1 4.11Å; R66-I73 HydrophobicContact CB-CG1 4.41Å; R66-R84 VanDerWaalsContact NH1-NE 3.18Å; R66-R84 VanDerWaalsContact NH2-CZ 3.25Å; R66-Y93 PolarHBondContact NH1-OH 3.23Å; R66-T133 HydrophobicContact CG-CG2 3.45Å; R66-T133 VanDerWaalsContact CG-CG2 3.45Å |
| 67 | T | 92.3 | Very high | 86.7 | Confident | 48 Ų | 48 | 51.9 Ų | 51.9 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -75.3 | -36.8 | -175.2 | 58.5 | 0 | 0 | 0 | 0 | 113 | D69 K70 Q134 R136 Y153 | T67-D69 VanDerWaalsContact C-N 3.29Å; T67-D69 PolarHBondContact O-N 3.04Å; T67-K70 PolarHBondContact O-N 2.88Å; T67-Q134 HydrophobicContact CG2-CB 4.22Å; T67-Q134 HydrophobicContact CG2-CG 4.17Å; T67-Q134 WeakPolarHBondContact CG2-O 3.21Å; T67-Q134 PolarHBondContact N-O 2.04Å; T67-Q134 VanDerWaalsContact N-O 3.07Å; T67-Q134 PolarHBondContact OG1-O 3.03Å; T67-R136 HydrophobicContact CG2-CB 3.9Å; T67-Y153 HydrophobicContact CG2-CD1 4.43Å; T67-Y153 HydrophobicContact CG2-CE1 4.33Å |
| 68 | V | 90.3 | Very high | 87.9 | Confident | 101 Ų | 101 | 47 Ų | 47 | 61% | 0.612 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | -43.6 | -175.1 | 168.4 | 0 | 0 | 0 | 0 | 112.9 | R66 T133 | R66-V68 HydrophobicContact CG-CB 4.37Å; V68-T133 HydrophobicContact CG2-CG2 4.29Å |
| 69 | D | 90.6 | Very high | 89.1 | Confident | 65 Ų | 65 | 46.8 Ų | 46.8 | 35% | 0.348 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121 | 11.1 | -179.8 | 65.2 | -18.1 | 0 | 0 | 0 | 113.7 | R66 T67 Q71 R84 | R66-D69 IonicContact CZ-OD1 2.75Å; R66-D69 IonicContact CZ-OD2 3.92Å; R66-D69 IonicContact NE-OD1 2.82Å; R66-D69 PolarHBondContact NE-OD1 3.2Å; R66-D69 IonicContact NE-OD2 3.6Å; R66-D69 VanDerWaalsContact NH2-CG 3.27Å; R66-D69 IonicContact NH2-OD1 2.66Å; R66-D69 PolarHBondContact NH2-OD1 3.29Å; R66-D69 IonicContact NH2-OD2 3.11Å; R66-D69 PolarHBondContact NH2-OD2 2.86Å; T67-D69 VanDerWaalsContact C-N 3.29Å; T67-D69 PolarHBondContact O-N 3.04Å; D69-Q71 PolarHBondContact O-N 2.62Å; D69-Q71 VanDerWaalsContact OD1-CB 3.27Å; D69-Q71 WeakPolarHBondContact OD1-CB 3.36Å; D69-Q71 PolarHBondContact OD1-N 2.73Å; D69-R84 IonicContact OD2-NH2 3.27Å; D69-R84 PolarHBondContact OD2-NH2 3.32Å |
| 70 | K | 90 | Very high | 90.4 | Very high | 182 Ų | 182 | 44.1 Ų | 44.1 | 79% | 0.791 | 23% | 0.232 | S | C | * | . | trans | 54.1 | 22.9 | -176.4 | -55.2 | 178.8 | -179.3 | 178 | 0 | 113.6 | R66 T67 | R66-K70 CarbonylContact O-C 3.6Å; R66-K70 VanDerWaalsContact O-CA 3.23Å; R66-K70 WeakPolarHBondContact O-CA 3.1Å; R66-K70 PolarHBondContact O-N 2.75Å; R66-K70 VanDerWaalsContact O-N 3.12Å; T67-K70 PolarHBondContact O-N 2.88Å | ||
| 71 | Q | 91.6 | Very high | 91 | Very high | 26 Ų | 26 | 49.9 Ų | 49.9 | 12% | 0.121 | 26% | 0.261 | C | S | . | . | trans | -72.4 | 129.8 | -179.5 | -176.3 | -176.4 | 16.4 | 0 | 0 | 110.6 | Y65 R66 D69 I73 P82 | Y65-Q71 CarbonylContact C-O 3.57Å; Y65-Q71 VanDerWaalsContact CA-O 3.27Å; Y65-Q71 WeakPolarHBondContact CA-O 3.08Å; R66-Q71 PolarHBondContact N-O 2.97Å; R66-Q71 PolarHBondContact O-N 2.9Å; D69-Q71 PolarHBondContact O-N 2.62Å; D69-Q71 VanDerWaalsContact OD1-CB 3.27Å; D69-Q71 WeakPolarHBondContact OD1-CB 3.36Å; D69-Q71 PolarHBondContact OD1-N 2.73Å; Q71-I73 PolarHBondContact O-N 3.38Å; Q71-P82 PolarHBondContact NE2-O 3.07Å | ||
| 72 | Q | 93.6 | Very high | 91.2 | Very high | 52 Ų | 52 | 51.3 Ų | 51.3 | 24% | 0.243 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -72.1 | 120.6 | 164.8 | -168.7 | 172.5 | 10.5 | 0 | 0 | 109.6 | Y65 S74 K80 E140 | Y65-Q72 HydrophobicContact CD1-CB 3.8Å; Y65-Q72 HydrophobicContact CD1-CG 4.13Å; Y65-Q72 HydrophobicContact CE1-CB 3.48Å; Y65-Q72 VanDerWaalsContact CE1-CB 3.48Å; Y65-Q72 HydrophobicContact CE1-CG 3.64Å; Y65-Q72 HydrophobicContact CE2-CG 4.05Å; Y65-Q72 VanDerWaalsContact OH-CD 3.26Å; Y65-Q72 PolarHBondContact OH-NE2 3.05Å; Q72-S74 WeakPolarHBondContact CG-O 3.44Å; Q72-S74 PolarHBondContact NE2-O 3.43Å; Q72-S74 VanDerWaalsContact NE2-O 3.08Å; Q72-K80 HydrophobicContact CG-CG 3.99Å; Q72-K80 WeakPolarHBondContact O-CB 3.35Å; Q72-E140 PolarHBondContact NE2-OE1 2.77Å |
| 73 | I | 94.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | trans | -86.1 | -43.6 | 178.2 | -58.4 | 171.8 | 0 | 0 | 0 | 109.9 | W64 R66 Q71 L79 K80 Y93 L121 F135 | W64-I73 HydrophobicContact CB-CB 4.21Å; W64-I73 WeakPolarHBondContact O-CA 3.06Å; W64-I73 WeakPolarHBondContact O-CB 3.28Å; W64-I73 PolarHBondContact O-N 2.7Å; R66-I73 HydrophobicContact CB-CD1 4.11Å; R66-I73 HydrophobicContact CB-CG1 4.41Å; Q71-I73 PolarHBondContact O-N 3.38Å; I73-L79 HydrophobicContact CG2-CD2 4.21Å; I73-L79 WeakPolarHBondContact O-CA 3.3Å; I73-K80 PolarHBondContact O-N 2.88Å; I73-Y93 HydrophobicContact CD1-CD2 4.47Å; I73-Y93 HydrophobicContact CD1-CE2 4.44Å; I73-Y93 HydrophobicContact CG1-CD2 4.35Å; I73-Y93 HydrophobicContact CG1-CE2 4.48Å; I73-Y93 HydrophobicContact CG2-CD2 3.86Å; I73-Y93 HydrophobicContact CG2-CG 3.75Å; I73-L121 HydrophobicContact CD1-CD1 4.48Å; I73-L121 HydrophobicContact CD1-CD2 4.14Å; I73-L121 HydrophobicContact CG2-CD1 3.96Å; I73-F135 HydrophobicContact CD1-CD1 3.68Å; I73-F135 HydrophobicContact CD1-CE1 3.82Å | ||
| 74 | S | 93.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 163.2 | -176.9 | 79.1 | 0 | 0 | 0 | 0 | 113.4 | S63 W64 Q72 G76 T78 | S63-S74 WeakPolarHBondContact CA-O 3.29Å; S63-S74 WeakPolarHBondContact CB-O 3.23Å; S63-S74 PolarHBondContact OG-O 2.85Å; W64-S74 PolarHBondContact N-O 2.82Å; W64-S74 PolarHBondContact N-OG 2.65Å; W64-S74 PolarHBondContact O-N 2.85Å; W64-S74 VanDerWaalsContact O-N 3.17Å; Q72-S74 WeakPolarHBondContact CG-O 3.44Å; Q72-S74 PolarHBondContact NE2-O 3.43Å; Q72-S74 VanDerWaalsContact NE2-O 3.08Å; S74-G76 PolarHBondContact OG-O 3.01Å; S74-T78 CarbonylContact C-O 3.59Å; S74-T78 VanDerWaalsContact CA-O 3.22Å; S74-T78 WeakPolarHBondContact CA-O 3.21Å; S74-T78 WeakPolarHBondContact CB-O 3.37Å |
| 75 | S | 90.8 | Very high | 89.7 | Confident | 12 Ų | 12 | 68.3 Ų | 68.3 | 8% | 0.084 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 101.5 | 171.8 | 172 | 0 | 0 | 0 | 0 | 107 | Q61 S63 S77 T78 | Q61-S75 PolarHBondContact NE2-OG 2.75Å; Q61-S75 PolarHBondContact OE1-OG 3.18Å; S63-S75 WeakPolarHBondContact OG-CA 3.37Å; S75-S77 PolarHBondContact O-N 2.86Å; S75-T78 PolarHBondContact N-O 2.86Å; S75-T78 PolarHBondContact O-N 2.93Å |
| 76 | G | 88 | Confident | 88.9 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 2% | 0.021 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | -128.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I62 S74 T78 V95 Y119 | I62-G76 WeakPolarHBondContact O-CA 3.33Å; I62-G76 PolarHBondContact O-N 2.87Å; S74-G76 PolarHBondContact OG-O 3.01Å; G76-T78 VanDerWaalsContact C-N 3.31Å; G76-V95 WeakPolarHBondContact O-CG1 3.43Å; G76-Y119 VanDerWaalsContact CA-CE1 3.49Å |
| 77 | S | 86.6 | Confident | 88.4 | Confident | 73 Ų | 73 | 69.9 Ų | 69.9 | 51% | 0.51 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -5.9 | 177.3 | 52.5 | 0 | 0 | 0 | 0 | 113.8 | S75 | S75-S77 PolarHBondContact O-N 2.86Š|
| 78 | T | 90.1 | Very high | 88.1 | Confident | 87 Ų | 87 | 76.8 Ų | 76.8 | 53% | 0.534 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 124 | -175.2 | -55.2 | 0 | 0 | 0 | 0 | 110.4 | S74 S75 G76 | S74-T78 CarbonylContact C-O 3.59Å; S74-T78 VanDerWaalsContact CA-O 3.22Å; S74-T78 WeakPolarHBondContact CA-O 3.21Å; S74-T78 WeakPolarHBondContact CB-O 3.37Å; S75-T78 PolarHBondContact N-O 2.86Å; S75-T78 PolarHBondContact O-N 2.93Å; G76-T78 VanDerWaalsContact C-N 3.31Å |
| 79 | L | 91.3 | Very high | 87.9 | Confident | 50 Ų | 50 | 73.8 Ų | 73.8 | 26% | 0.262 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 146.8 | 172.8 | -68.5 | 174.3 | 0 | 0 | 0 | 110.9 | I73 V83 Y93 V95 | I73-L79 HydrophobicContact CG2-CD2 4.21Å; I73-L79 WeakPolarHBondContact O-CA 3.3Å; L79-V83 HydrophobicContact CB-CG2 4.23Å; L79-V83 HydrophobicContact CD1-CG1 4.38Å; L79-Y93 WeakPolarHBondContact CD1-O 3.39Å; L79-V95 HydrophobicContact CD2-CG2 4.11Å |
| 80 | K | 92 | Very high | 87.8 | Confident | 83 Ų | 83 | 73.5 Ų | 73.5 | 36% | 0.361 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -102.6 | 143.5 | 176 | -68.7 | -66.2 | -174.3 | -179.9 | 0 | 111.2 | Q72 I73 | Q72-K80 HydrophobicContact CG-CG 3.99Å; Q72-K80 WeakPolarHBondContact O-CB 3.35Å; I73-K80 PolarHBondContact O-N 2.88Å |
| 81 | D | 86.9 | Confident | 87.9 | Confident | 140 Ų | 140 | 66.5 Ų | 66.5 | 75% | 0.749 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -75.8 | 148.1 | 174.2 | -74.4 | -54.1 | 0 | 0 | 0 | 112 | ||
| 82 | P | 84.6 | Confident | 87.9 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 62% | 0.623 | 36% | 0.357 | S | S | * | . | S | Bend | cis | -79.4 | 127.1 | -1.1 | 30.9 | -33.8 | 0 | 0 | 0 | 112.4 | Q71 R84 | Q71-P82 PolarHBondContact NE2-O 3.07Å; P82-R84 PolarHBondContact O-N 3.18Å |
| 83 | V | 81.9 | Confident | 88 | Confident | 42 Ų | 42 | 64.1 Ų | 64.1 | 26% | 0.255 | 35% | 0.347 | S | S | . | . | trans | -73.9 | 111.7 | 175 | -177.2 | 0 | 0 | 0 | 0 | 109.8 | L79 R85 S91 | L79-V83 HydrophobicContact CB-CG2 4.23Å; L79-V83 HydrophobicContact CD1-CG1 4.38Å; V83-R85 PolarHBondContact O-N 3.46Å; V83-S91 WeakPolarHBondContact CG1-OG 3.34Å | ||
| 84 | R | 82.5 | Confident | 88 | Confident | 124 Ų | 124 | 64.6 Ų | 64.6 | 47% | 0.468 | 35% | 0.352 | S | S | . | . | trans | -63 | 127.3 | 173.4 | -70.8 | -169.7 | -177.1 | -106.9 | 3.6 | 110.1 | R66 D69 P82 S91 K92 | R66-R84 VanDerWaalsContact NH1-NE 3.18Å; R66-R84 VanDerWaalsContact NH2-CZ 3.25Å; D69-R84 IonicContact OD2-NH2 3.27Å; D69-R84 PolarHBondContact OD2-NH2 3.32Å; P82-R84 PolarHBondContact O-N 3.18Å; R84-S91 WeakPolarHBondContact O-CA 3.42Å; R84-K92 HydrophobicContact CB-CB 4.1Å; R84-K92 WeakPolarHBondContact O-CB 3.37Å; R84-K92 PolarHBondContact O-N 2.83Å | ||
| 85 | R | 84.3 | Confident | 88 | Confident | 190 Ų | 190 | 65.5 Ų | 65.5 | 72% | 0.717 | 36% | 0.357 | S | S | * | . | B | Isolated β-bridge | trans | -102.5 | 134.2 | 177.2 | -60.4 | -174 | -174.1 | -142.3 | 5.3 | 110.1 | V83 | V83-R85 PolarHBondContact O-N 3.46Å |
| 86 | G | 78.2 | Confident | 88.1 | Confident | 23 Ų | 23 | 70.6 Ų | 70.6 | 24% | 0.237 | 37% | 0.374 | C | S | . | . | trans | -89.7 | -161 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | G89 V90 | G86-G89 PolarHBondContact O-N 3.19Å; G86-V90 PolarHBondContact N-O 3.47Å | ||
| 87 | P | 82.8 | Confident | 88.2 | Confident | 67 Ų | 67 | 74.2 Ų | 74.2 | 44% | 0.435 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -52.8 | 144.8 | 176.3 | -24.6 | 34.4 | 0 | 0 | 0 | 112.3 | G89 V90 F125 | P87-G89 PolarHBondContact O-N 3.36Å; P87-G89 VanDerWaalsContact O-N 3.11Å; P87-V90 PolarHBondContact O-N 3.34Å; P87-F125 HydrophobicContact CG-CD1 4.31Å; P87-F125 HydrophobicContact CG-CG 4.38Å |
| 88 | H | 86.8 | Confident | 88.2 | Confident | 192 Ų | 192 | 73 Ų | 73 | 89% | 0.889 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | 60 | 17.6 | 178.8 | -48.8 | -76.3 | 0 | 0 | 0 | 115.3 | V90 | H88-V90 VanDerWaalsContact C-N 3.29Å; H88-V90 PolarHBondContact O-N 3.4Å |
| 89 | G | 86.1 | Confident | 87.5 | Confident | 38 Ų | 38 | 73.8 Ų | 73.8 | 39% | 0.392 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | 80.3 | 4.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G86 P87 | G86-G89 PolarHBondContact O-N 3.19Å; P87-G89 PolarHBondContact O-N 3.36Å; P87-G89 VanDerWaalsContact O-N 3.11Å |
| 90 | V | 88.7 | Confident | 86.6 | Confident | 59 Ų | 59 | 73.8 Ų | 73.8 | 36% | 0.358 | 40% | 0.396 | S | S | . | . | trans | -71.8 | 132.8 | 176.9 | 178.2 | 0 | 0 | 0 | 0 | 110 | G86 P87 H88 K92 F125 | G86-V90 PolarHBondContact N-O 3.47Å; P87-V90 PolarHBondContact O-N 3.34Å; H88-V90 VanDerWaalsContact C-N 3.29Å; H88-V90 PolarHBondContact O-N 3.4Å; V90-K92 PolarHBondContact O-N 3.11Å; V90-F125 HydrophobicContact CB-CE2 3.9Å; V90-F125 HydrophobicContact CB-CZ 4.07Å; V90-F125 HydrophobicContact CG1-CE2 3.93Å; V90-F125 HydrophobicContact CG1-CZ 4.19Å | ||
| 91 | S | 90.5 | Very high | 85.3 | Confident | 35 Ų | 35 | 78.3 Ų | 78.3 | 25% | 0.245 | 41% | 0.411 | C | S | . | . | B | Isolated β-bridge | trans | -57.2 | 129.5 | 175.9 | -51.1 | 0 | 0 | 0 | 0 | 111.8 | V83 R84 Y93 R124 | V83-S91 WeakPolarHBondContact CG1-OG 3.34Å; R84-S91 WeakPolarHBondContact O-CA 3.42Å; S91-Y93 VanDerWaalsContact C-N 3.27Å; S91-Y93 VanDerWaalsContact CB-O 3.31Å; S91-Y93 WeakPolarHBondContact CB-O 3.46Å; S91-Y93 PolarHBondContact O-N 3.12Å; S91-R124 PolarHBondContact O-NH1 2.98Å |
| 92 | K | 92.9 | Very high | 84.2 | Confident | 19 Ų | 19 | 73 Ų | 73 | 8% | 0.083 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -56.7 | -43.7 | 174 | 178.4 | 84.2 | -172.5 | -171.1 | 0 | 110.4 | R84 V90 R124 F125 D127 D130 | R84-K92 HydrophobicContact CB-CB 4.1Å; R84-K92 WeakPolarHBondContact O-CB 3.37Å; R84-K92 PolarHBondContact O-N 2.83Å; V90-K92 PolarHBondContact O-N 3.11Å; K92-R124 VanDerWaalsContact CD-O 3.22Å; K92-R124 WeakPolarHBondContact CD-O 3.31Å; K92-R124 WeakPolarHBondContact CE-O 3.42Å; K92-R124 PolarHBondContact NZ-O 2.62Å; K92-R124 PolarHBondContact O-N 3.13Å; K92-F125 PolarHBondContact NZ-O 2.92Å; K92-D127 IonicContact NZ-OD2 2.9Å; K92-D127 PolarHBondContact NZ-OD2 2.85Å; K92-D130 WeakPolarHBondContact CE-OD1 3.34Å; K92-D130 WeakPolarHBondContact CE-OD2 3.44Å; K92-D130 IonicContact NZ-OD1 2.94Å; K92-D130 IonicContact NZ-OD2 3.53Å; K92-D130 PolarHBondContact NZ-OD2 3.05Å |
| 93 | Y | 94.7 | Very high | 83.2 | Confident | 9 Ų | 9 | 75 Ų | 75 | 4% | 0.035 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 144.4 | 179.1 | -53.5 | -57.1 | 0 | 0 | 0 | 111.2 | R66 I73 L79 S91 L121 I122 V123 F135 | R66-Y93 PolarHBondContact NH1-OH 3.23Å; I73-Y93 HydrophobicContact CD1-CD2 4.47Å; I73-Y93 HydrophobicContact CD1-CE2 4.44Å; I73-Y93 HydrophobicContact CG1-CD2 4.35Å; I73-Y93 HydrophobicContact CG1-CE2 4.48Å; I73-Y93 HydrophobicContact CG2-CD2 3.86Å; I73-Y93 HydrophobicContact CG2-CG 3.75Å; L79-Y93 WeakPolarHBondContact CD1-O 3.39Å; S91-Y93 VanDerWaalsContact C-N 3.27Å; S91-Y93 VanDerWaalsContact CB-O 3.31Å; S91-Y93 WeakPolarHBondContact CB-O 3.46Å; S91-Y93 PolarHBondContact O-N 3.12Å; Y93-L121 HydrophobicContact CD1-CD1 4.39Å; Y93-I122 CarbonylContact C-O 3.53Å; Y93-I122 WeakPolarHBondContact CA-O 3.4Å; Y93-V123 HydrophobicContact CD1-CB 4.39Å; Y93-V123 HydrophobicContact CD1-CG1 4.19Å; Y93-V123 HydrophobicContact CD1-CG2 3.94Å; Y93-V123 HydrophobicContact CE1-CB 4.42Å; Y93-V123 HydrophobicContact CE1-CG1 3.84Å; Y93-V123 HydrophobicContact CE1-CG2 3.98Å; Y93-F135 AromaticContact CE1-CE1 3.75Å; Y93-F135 HydrophobicContact CE1-CE1 3.75Å; Y93-F135 HydrophobicContact CE1-CZ 4.06Å |
| 94 | A | 94 | Very high | 82.1 | Confident | 16 Ų | 16 | 81.4 Ų | 81.4 | 13% | 0.132 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 152.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | I122 | A94-I122 HydrophobicContact CB-CB 4.14Å; A94-I122 HydrophobicContact CB-CD1 4.33Å; A94-I122 PolarHBondContact N-O 2.94Å; A94-I122 WeakPolarHBondContact O-CA 3.43Å; A94-I122 WeakPolarHBondContact O-CB 3.42Å; A94-I122 PolarHBondContact O-N 3.48Å |
| 95 | V | 94.7 | Very high | 80.9 | Confident | 18 Ų | 18 | 76.1 Ų | 76.1 | 11% | 0.109 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 138 | 175.8 | -178.5 | 0 | 0 | 0 | 0 | 109 | G76 L79 Y119 Q120 L121 | G76-V95 WeakPolarHBondContact O-CG1 3.43Å; L79-V95 HydrophobicContact CD2-CG2 4.11Å; V95-Y119 HydrophobicContact CG1-CD1 4.12Å; V95-Q120 WeakPolarHBondContact CA-O 3.29Å; V95-L121 HydrophobicContact CG2-CD1 3.87Å |
| 96 | R | 92.2 | Very high | 79.6 | Confident | 119 Ų | 119 | 71.8 Ų | 71.8 | 45% | 0.449 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 145.9 | 173.8 | 66.6 | 176.5 | 175.2 | 166.1 | 1.6 | 111.3 | L98 Q120 I122 | R96-L98 HydrophobicContact CG-CD2 4.16Å; R96-Q120 HydrophobicContact CG-CB 4.08Å; R96-Q120 PolarHBondContact N-O 2.96Å; R96-Q120 PolarHBondContact O-N 3.39Å; R96-I122 HydrophobicContact CG-CD1 4.1Å |
| 97 | F | 89.6 | Confident | 78.7 | Confident | 78 Ų | 78 | 76.9 Ų | 76.9 | 34% | 0.342 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 131.2 | 168.8 | 176.1 | -115.6 | 0 | 0 | 0 | 109.3 | P99 R117 T118 Y119 | F97-P99 HydrophobicContact CE1-CB 3.86Å; F97-P99 HydrophobicContact CZ-CB 4.41Å; F97-R117 HydrophobicContact CE2-CB 4.12Å; F97-R117 HydrophobicContact CE2-CG 4.42Å; F97-T118 WeakPolarHBondContact CD2-O 3.1Å; F97-Y119 HydrophobicContact CB-CE1 4.14Å; F97-Y119 HydrophobicContact CD2-CD2 4.24Å; F97-Y119 HydrophobicContact CD2-CE1 4.35Å; F97-Y119 AromaticContact CD2-CE2 3.91Å; F97-Y119 HydrophobicContact CD2-CE2 3.91Å; F97-Y119 AromaticContact CD2-CZ 3.98Å; F97-Y119 HydrophobicContact CE2-CE2 4.42Å |
| 98 | L | 87.4 | Confident | 77.7 | Confident | 47 Ų | 47 | 75 Ų | 75 | 25% | 0.246 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 105.3 | 173.8 | -61.6 | 178.9 | 0 | 0 | 0 | 108.6 | R96 T118 Q120 | R96-L98 HydrophobicContact CG-CD2 4.16Å; L98-T118 HydrophobicContact CB-CG2 4.29Å; L98-T118 HydrophobicContact CD1-CG2 4.22Å; L98-T118 PolarHBondContact N-O 2.89Å; L98-Q120 HydrophobicContact CD1-CB 3.94Å; L98-Q120 HydrophobicContact CG-CB 4.25Å |
| 99 | P | 76.1 | Confident | 76.5 | Confident | 105 Ų | 105 | 72.8 Ų | 72.8 | 68% | 0.682 | 41% | 0.408 | S | S | * | . | trans | -71.6 | 145.6 | 174.3 | 29 | -32.6 | 0 | 0 | 0 | 110.8 | F97 | F97-P99 HydrophobicContact CE1-CB 3.86Å; F97-P99 HydrophobicContact CZ-CB 4.41Å | ||
| 100 | G | 70.9 | Confident | 75.6 | Confident | 50 Ų | 50 | 75.1 Ų | 75.1 | 52% | 0.515 | 43% | 0.432 | S | S | . | . | S | Bend | trans | 94.5 | -177.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 101 | R | 65.9 | Low | 74.7 | Confident | 177 Ų | 177 | 74.5 Ų | 74.5 | 67% | 0.668 | 43% | 0.428 | S | S | * | . | trans | -67.9 | 129.3 | -175 | -170.3 | -178.3 | -179 | -178.3 | -0.3 | 110.5 | S103 M108 V113 | R101-S103 PolarHBondContact O-N 2.74Å; R101-M108 HydrophobicContact CG-SD 4.47Å; R101-V113 HydrophobicContact CB-CG1 4.23Å; R101-V113 HydrophobicContact CG-CG1 4.48Å | ||
| 102 | P | 64.4 | Low | 73.9 | Confident | 30 Ų | 30 | 76.1 Ų | 76.1 | 20% | 0.195 | 43% | 0.434 | C | S | . | . | trans | -54.6 | 137.8 | 168.2 | -21.9 | 31.5 | 0 | 0 | 0 | 110.7 | T51 Y104 A105 M108 | T51-P102 HydrophobicContact CG2-CG 4.22Å; P102-Y104 PolarHBondContact O-N 2.87Å; P102-Y104 VanDerWaalsContact O-N 3.13Å; P102-A105 HydrophobicContact CB-CB 4.3Å; P102-M108 HydrophobicContact CG-CE 3.98Å | ||
| 103 | S | 62.5 | Low | 72.9 | Confident | 136 Ų | 136 | 78.2 Ų | 78.2 | 95% | 0.951 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -60.3 | -23.3 | 178.9 | -41.3 | 0 | 0 | 0 | 0 | 112.8 | R101 | R101-S103 PolarHBondContact O-N 2.74Š|
| 104 | Y | 58.1 | Low | 72.1 | Confident | 177 Ų | 177 | 84.1 Ų | 84.1 | 69% | 0.694 | 48% | 0.48 | S | S | * | . | trans | -131.6 | 96.2 | -177.6 | -153.6 | -99.6 | 0 | 0 | 0 | 108.6 | E36 P102 | E36-Y104 WeakPolarHBondContact OE1-CD1 3.36Å; P102-Y104 PolarHBondContact O-N 2.87Å; P102-Y104 VanDerWaalsContact O-N 3.13Å | ||
| 105 | A | 58 | Low | 71.4 | Confident | 14 Ų | 14 | 86.4 Ų | 86.4 | 12% | 0.116 | 49% | 0.487 | C | S | . | . | trans | -144.8 | 88 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | P102 N107 M108 | P102-A105 HydrophobicContact CB-CB 4.3Å; A105-N107 VanDerWaalsContact C-N 3.34Å; A105-N107 PolarHBondContact O-N 2.75Å; A105-M108 HydrophobicContact CB-CE 3.25Å; A105-M108 HydrophobicContact CB-CG 3.88Å; A105-M108 HydrophobicContact CB-SD 3.41Å; A105-M108 WeakPolarHBondContact CB-SD 3.41Å | ||
| 106 | P | 57.8 | Low | 70.8 | Confident | 98 Ų | 98 | 85.9 Ų | 85.9 | 64% | 0.636 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -70.9 | -27.3 | -170 | 24.4 | -30.8 | 0 | 0 | 0 | 113.3 | ||
| 107 | N | 58.6 | Low | 70.5 | Confident | 131 Ų | 131 | 82.9 Ų | 82.9 | 70% | 0.701 | 47% | 0.472 | S | S | * | . | trans | -125.1 | 80.3 | -174.3 | -68.9 | -26.1 | 0 | 0 | 0 | 112 | A105 | A105-N107 VanDerWaalsContact C-N 3.34Å; A105-N107 PolarHBondContact O-N 2.75Å | ||
| 108 | M | 60.8 | Low | 70.5 | Confident | 26 Ų | 26 | 79.5 Ų | 79.5 | 13% | 0.128 | 46% | 0.458 | C | S | . | . | trans | -113.9 | 22 | 174.3 | -72.7 | -176.9 | 161.8 | 0 | 0 | 113.2 | R101 P102 A105 G110 V111 L116 | R101-M108 HydrophobicContact CG-SD 4.47Å; P102-M108 HydrophobicContact CG-CE 3.98Å; A105-M108 HydrophobicContact CB-CE 3.25Å; A105-M108 HydrophobicContact CB-CG 3.88Å; A105-M108 HydrophobicContact CB-SD 3.41Å; A105-M108 WeakPolarHBondContact CB-SD 3.41Å; M108-G110 PolarHBondContact O-N 3.35Å; M108-G110 VanDerWaalsContact O-N 3.14Å; M108-V111 HydrophobicContact CB-CB 4.44Å; M108-V111 PolarHBondContact O-N 2.92Å; M108-V111 VanDerWaalsContact O-N 3.15Å; M108-L116 HydrophobicContact CE-CD1 3.46Å; M108-L116 VanDerWaalsContact CE-CD1 3.46Å; M108-L116 HydrophobicContact CE-CD2 4.29Å; M108-L116 HydrophobicContact SD-CD1 3.92Å | ||
| 109 | V | 63.3 | Low | 70.7 | Confident | 147 Ų | 147 | 79 Ų | 79 | 89% | 0.891 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 117.3 | -179.7 | -177 | 0 | 0 | 0 | 0 | 109.5 | ||
| 110 | G | 66.5 | Low | 71.5 | Confident | 86 Ų | 86 | 74.5 Ų | 74.5 | 89% | 0.887 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 4.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | M108 | M108-G110 PolarHBondContact O-N 3.35Å; M108-G110 VanDerWaalsContact O-N 3.14Å |
| 111 | V | 70.7 | Confident | 72.7 | Confident | 46 Ų | 46 | 72.1 Ų | 72.1 | 28% | 0.279 | 40% | 0.399 | S | S | . | . | trans | -92.6 | 129.1 | 178.4 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | V53 M108 V113 L116 | V53-V111 HydrophobicContact CG2-CG1 3.61Å; M108-V111 HydrophobicContact CB-CB 4.44Å; M108-V111 PolarHBondContact O-N 2.92Å; M108-V111 VanDerWaalsContact O-N 3.15Å; V111-V113 PolarHBondContact O-N 2.83Å; V111-V113 VanDerWaalsContact O-N 3.13Å; V111-L116 HydrophobicContact CG1-CD2 3.96Å; V111-L116 HydrophobicContact CG1-CG 4.39Å | ||
| 112 | D | 73 | Confident | 74.2 | Confident | 70 Ų | 70 | 64.6 Ų | 64.6 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | trans | -71.2 | 105.6 | 171.6 | -175.4 | -7.5 | 0 | 0 | 0 | 110.1 | N114 K115 | D112-N114 PolarHBondContact O-N 2.95Å; D112-N114 WeakPolarHBondContact OD1-CB 3.29Å; D112-N114 PolarHBondContact OD1-N 2.75Å; D112-K115 HydrophobicContact CB-CB 4.3Å; D112-K115 HydrophobicContact CB-CD 4.02Å; D112-K115 HydrophobicContact CB-CG 4.14Å; D112-K115 PolarHBondContact O-N 2.76Å; D112-K115 VanDerWaalsContact O-N 3.08Å; D112-K115 WeakPolarHBondContact OD2-CD 3.09Å; D112-K115 VanDerWaalsContact OD2-CE 3.31Å; D112-K115 WeakPolarHBondContact OD2-CE 3.29Å; D112-K115 WeakPolarHBondContact OD2-CG 3.45Å | ||
| 113 | V | 71.8 | Confident | 75.6 | Confident | 62 Ų | 62 | 63.2 Ų | 63.2 | 38% | 0.376 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -60.9 | -29 | -177.1 | -173.7 | 0 | 0 | 0 | 0 | 111.8 | R101 V111 K115 L116 | R101-V113 HydrophobicContact CB-CG1 4.23Å; R101-V113 HydrophobicContact CG-CG1 4.48Å; V111-V113 PolarHBondContact O-N 2.83Å; V111-V113 VanDerWaalsContact O-N 3.13Å; V113-K115 VanDerWaalsContact C-N 3.25Å; V113-K115 PolarHBondContact O-N 2.96Å; V113-L116 HydrophobicContact CB-CD1 4.45Å; V113-L116 HydrophobicContact CG1-CD1 4.12Å; V113-L116 WeakPolarHBondContact O-CB 3.39Å; V113-L116 PolarHBondContact O-N 2.94Å |
| 114 | N | 76.7 | Confident | 77.2 | Confident | 133 Ų | 133 | 60.5 Ų | 60.5 | 71% | 0.711 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -72.9 | -21.7 | -179.8 | -62.4 | -35.6 | 0 | 0 | 0 | 112.3 | D112 R117 | D112-N114 PolarHBondContact O-N 2.95Å; D112-N114 WeakPolarHBondContact OD1-CB 3.29Å; D112-N114 PolarHBondContact OD1-N 2.75Å; N114-R117 PolarHBondContact O-NH1 2.76Å |
| 115 | K | 79.6 | Confident | 78.8 | Confident | 64 Ų | 64 | 55.2 Ų | 55.2 | 28% | 0.278 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -89.9 | -2.7 | 176.8 | -65.7 | -178.3 | -178.8 | -172.7 | 0 | 113.2 | V53 I54 E55 D112 V113 | V53-K115 HydrophobicContact CG1-CB 3.67Å; V53-K115 HydrophobicContact CG1-CD 4.43Å; I54-K115 PolarHBondContact N-O 3.47Å; E55-K115 HydrophobicContact CG-CD 4.3Å; E55-K115 IonicContact OE1-NZ 2.72Å; E55-K115 PolarHBondContact OE1-NZ 2.04Å; D112-K115 HydrophobicContact CB-CB 4.3Å; D112-K115 HydrophobicContact CB-CD 4.02Å; D112-K115 HydrophobicContact CB-CG 4.14Å; D112-K115 PolarHBondContact O-N 2.76Å; D112-K115 VanDerWaalsContact O-N 3.08Å; D112-K115 WeakPolarHBondContact OD2-CD 3.09Å; D112-K115 VanDerWaalsContact OD2-CE 3.31Å; D112-K115 WeakPolarHBondContact OD2-CE 3.29Å; D112-K115 WeakPolarHBondContact OD2-CG 3.45Å; V113-K115 VanDerWaalsContact C-N 3.25Å; V113-K115 PolarHBondContact O-N 2.96Å |
| 116 | L | 83.7 | Confident | 80.5 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 134.9 | 175.7 | -68.4 | 171.4 | 0 | 0 | 0 | 110.7 | T32 T51 V53 M108 V111 V113 | T32-L116 HydrophobicContact CG2-CD2 3.74Å; T51-L116 HydrophobicContact CG2-CB 4.5Å; T51-L116 HydrophobicContact CG2-CD2 3.86Å; V53-L116 HydrophobicContact CG2-CD2 3.84Å; M108-L116 HydrophobicContact CE-CD1 3.46Å; M108-L116 VanDerWaalsContact CE-CD1 3.46Å; M108-L116 HydrophobicContact CE-CD2 4.29Å; M108-L116 HydrophobicContact SD-CD1 3.92Å; V111-L116 HydrophobicContact CG1-CD2 3.96Å; V111-L116 HydrophobicContact CG1-CG 4.39Å; V113-L116 HydrophobicContact CB-CD1 4.45Å; V113-L116 HydrophobicContact CG1-CD1 4.12Å; V113-L116 WeakPolarHBondContact O-CB 3.39Å; V113-L116 PolarHBondContact O-N 2.94Å |
| 117 | R | 85.3 | Confident | 82.1 | Confident | 57 Ų | 57 | 52.6 Ų | 52.6 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 120 | 172.8 | -62 | -65 | 179.5 | -88.7 | 0.4 | 108.4 | T51 A52 I54 I62 F97 N114 Y119 | T51-R117 WeakPolarHBondContact CA-O 3.34Å; A52-R117 PolarHBondContact N-O 2.82Å; A52-R117 PolarHBondContact O-N 2.67Å; I54-R117 HydrophobicContact CB-CG 4.06Å; I54-R117 HydrophobicContact CD1-CB 4.04Å; I54-R117 HydrophobicContact CD1-CG 4.17Å; I54-R117 HydrophobicContact CG1-CB 4.41Å; I54-R117 HydrophobicContact CG1-CG 4.31Å; I62-R117 WeakPolarHBondContact CD1-O 3.37Å; F97-R117 HydrophobicContact CE2-CB 4.12Å; F97-R117 HydrophobicContact CE2-CG 4.42Å; N114-R117 PolarHBondContact O-NH1 2.76Å; R117-Y119 HydrophobicContact CB-CE2 4.32Å |
| 118 | T | 88.9 | Confident | 83.6 | Confident | 6 Ų | 6 | 50.2 Ų | 50.2 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 118.7 | 178 | -53 | 0 | 0 | 0 | 0 | 109.6 | N49 C50 T51 F97 L98 | N49-T118 HydrophobicContact CB-CG2 4.09Å; C50-T118 WeakPolarHBondContact O-CA 3.4Å; T51-T118 PolarHBondContact OG1-OG1 3.39Å; F97-T118 WeakPolarHBondContact CD2-O 3.1Å; L98-T118 HydrophobicContact CB-CG2 4.29Å; L98-T118 HydrophobicContact CD1-CG2 4.22Å; L98-T118 PolarHBondContact N-O 2.89Å |
| 119 | Y | 91.9 | Very high | 84.9 | Confident | 38 Ų | 38 | 54 Ų | 54 | 15% | 0.149 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 114.2 | 173.1 | -78.4 | -95.3 | 0 | 0 | 0 | 109.4 | C50 I62 W64 G76 V95 F97 R117 | C50-Y119 PolarHBondContact N-O 3.25Å; C50-Y119 VanDerWaalsContact N-O 3.17Å; C50-Y119 PolarHBondContact O-N 2.88Å; I62-Y119 HydrophobicContact CB-CD2 3.58Å; I62-Y119 HydrophobicContact CB-CE2 4.25Å; I62-Y119 HydrophobicContact CB-CG 3.91Å; I62-Y119 HydrophobicContact CD1-CD2 3.81Å; I62-Y119 HydrophobicContact CG1-CD2 3.77Å; I62-Y119 HydrophobicContact CG1-CE2 4.31Å; I62-Y119 HydrophobicContact CG2-CD2 4.49Å; I62-Y119 HydrophobicContact CG2-CG 4.47Å; W64-Y119 WeakPolarHBondContact CZ2-O 3.36Å; W64-Y119 PolarHBondContact NE1-O 3.31Å; G76-Y119 VanDerWaalsContact CA-CE1 3.49Å; V95-Y119 HydrophobicContact CG1-CD1 4.12Å; F97-Y119 HydrophobicContact CB-CE1 4.14Å; F97-Y119 HydrophobicContact CD2-CD2 4.24Å; F97-Y119 HydrophobicContact CD2-CE1 4.35Å; F97-Y119 AromaticContact CD2-CE2 3.91Å; F97-Y119 HydrophobicContact CD2-CE2 3.91Å; F97-Y119 AromaticContact CD2-CZ 3.98Å; F97-Y119 HydrophobicContact CE2-CE2 4.42Å; R117-Y119 HydrophobicContact CB-CE2 4.32Å |
| 120 | Q | 94 | Very high | 86.3 | Confident | 10 Ų | 10 | 47.3 Ų | 47.3 | 5% | 0.047 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 120.1 | -180 | -179 | 176.4 | 86.7 | 0 | 0 | 110.4 | Y47 L48 N49 V95 R96 L98 I122 | Y47-Q120 HydrophobicContact CD1-CG 4.34Å; Y47-Q120 VanDerWaalsContact CD1-OE1 3.22Å; L48-Q120 CarbonylContact O-C 3.54Å; L48-Q120 VanDerWaalsContact O-CA 3.27Å; L48-Q120 WeakPolarHBondContact O-CA 3.49Å; N49-Q120 WeakPolarHBondContact OD1-CB 3.26Å; N49-Q120 WeakPolarHBondContact OD1-CG 3.31Å; N49-Q120 PolarHBondContact OD1-NE2 2.88Å; V95-Q120 WeakPolarHBondContact CA-O 3.29Å; R96-Q120 HydrophobicContact CG-CB 4.08Å; R96-Q120 PolarHBondContact N-O 2.96Å; R96-Q120 PolarHBondContact O-N 3.39Å; L98-Q120 HydrophobicContact CD1-CB 3.94Å; L98-Q120 HydrophobicContact CG-CB 4.25Å; Q120-I122 HydrophobicContact CG-CG1 4.29Å |
| 121 | L | 96.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.8 | 165 | 176.1 | 64.6 | 0 | 0 | 0 | 109.5 | Y47 L48 W64 I73 Y93 V95 V123 F135 | Y47-L121 WeakPolarHBondContact CA-O 3.31Å; L48-L121 HydrophobicContact CB-CB 4.34Å; L48-L121 HydrophobicContact CD1-CD2 4.3Å; L48-L121 PolarHBondContact N-O 2.74Å; L48-L121 PolarHBondContact O-N 3.47Å; W64-L121 HydrophobicContact CB-CD1 4.49Å; W64-L121 HydrophobicContact CB-CD2 4.34Å; W64-L121 HydrophobicContact CD2-CB 3.63Å; W64-L121 HydrophobicContact CD2-CD2 3.91Å; W64-L121 HydrophobicContact CD2-CG 4.33Å; W64-L121 HydrophobicContact CE3-CB 4.12Å; W64-L121 HydrophobicContact CE3-CD2 3.73Å; W64-L121 HydrophobicContact CG-CB 3.91Å; W64-L121 HydrophobicContact CG-CD1 4.48Å; W64-L121 HydrophobicContact CG-CD2 4.2Å; W64-L121 HydrophobicContact CG-CG 4.43Å; W64-L121 HydrophobicContact CH2-CB 4.36Å; W64-L121 HydrophobicContact CZ2-CB 3.91Å; W64-L121 HydrophobicContact CZ3-CB 4.46Å; W64-L121 HydrophobicContact CZ3-CD2 4.27Å; I73-L121 HydrophobicContact CD1-CD1 4.48Å; I73-L121 HydrophobicContact CD1-CD2 4.14Å; I73-L121 HydrophobicContact CG2-CD1 3.96Å; Y93-L121 HydrophobicContact CD1-CD1 4.39Å; V95-L121 HydrophobicContact CG2-CD1 3.87Å; L121-V123 HydrophobicContact CD2-CG2 4.23Å; L121-V123 HydrophobicContact CG-CG2 4.09Å; L121-F135 HydrophobicContact CD2-CB 4.09Å; L121-F135 HydrophobicContact CD2-CD1 3.41Å; L121-F135 VanDerWaalsContact CD2-CD1 3.41Å; L121-F135 HydrophobicContact CD2-CE1 3.98Å; L121-F135 HydrophobicContact CD2-CG 3.81Å |
| 122 | I | 95.9 | Very high | 88 | Confident | 19 Ų | 19 | 49.3 Ų | 49.3 | 10% | 0.097 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 117.8 | 177.2 | -53.4 | 174.2 | 0 | 0 | 0 | 107.1 | T45 A46 Y47 Y93 A94 R96 Q120 R124 | T45-I122 HydrophobicContact CG2-CG2 3.39Å; A46-I122 WeakPolarHBondContact O-CA 3.38Å; Y47-I122 HydrophobicContact CD1-CG1 3.98Å; Y47-I122 HydrophobicContact CD1-CG2 4.26Å; Y47-I122 HydrophobicContact CE1-CD1 4.42Å; Y47-I122 HydrophobicContact CE1-CG1 4.1Å; Y47-I122 HydrophobicContact CE1-CG2 3.91Å; Y93-I122 CarbonylContact C-O 3.53Å; Y93-I122 WeakPolarHBondContact CA-O 3.4Å; A94-I122 HydrophobicContact CB-CB 4.14Å; A94-I122 HydrophobicContact CB-CD1 4.33Å; A94-I122 PolarHBondContact N-O 2.94Å; A94-I122 WeakPolarHBondContact O-CA 3.43Å; A94-I122 WeakPolarHBondContact O-CB 3.42Å; A94-I122 PolarHBondContact O-N 3.48Å; R96-I122 HydrophobicContact CG-CD1 4.1Å; Q120-I122 HydrophobicContact CG-CG1 4.29Å; I122-R124 HydrophobicContact CG2-CG 4.2Å |
| 123 | V | 95.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 110.4 | 174.7 | -174.3 | 0 | 0 | 0 | 0 | 108.1 | T45 A46 Y93 L121 V126 F135 I156 | T45-V123 CarbonylContact C-O 3.46Å; T45-V123 WeakPolarHBondContact CA-O 3.19Å; A46-V123 HydrophobicContact CB-CB 4.29Å; A46-V123 PolarHBondContact N-O 2.77Å; A46-V123 PolarHBondContact O-N 2.9Å; Y93-V123 HydrophobicContact CD1-CB 4.39Å; Y93-V123 HydrophobicContact CD1-CG1 4.19Å; Y93-V123 HydrophobicContact CD1-CG2 3.94Å; Y93-V123 HydrophobicContact CE1-CB 4.42Å; Y93-V123 HydrophobicContact CE1-CG1 3.84Å; Y93-V123 HydrophobicContact CE1-CG2 3.98Å; L121-V123 HydrophobicContact CD2-CG2 4.23Å; L121-V123 HydrophobicContact CG-CG2 4.09Å; V123-V126 HydrophobicContact CG1-CG2 4.37Å; V123-V126 WeakPolarHBondContact O-CG2 3.42Å; V123-F135 HydrophobicContact CG2-CE1 4.2Å; V123-F135 HydrophobicContact CG2-CE2 4.32Å; V123-F135 HydrophobicContact CG2-CZ 3.89Å; V123-I156 HydrophobicContact CB-CD1 3.93Å; V123-I156 HydrophobicContact CG1-CD1 4.12Å; V123-I156 HydrophobicContact CG2-CD1 3.83Å |
| 124 | R | 94.6 | Very high | 90 | Very high | 80 Ų | 80 | 47 Ų | 47 | 30% | 0.302 | 24% | 0.235 | S | C | . | . | trans | -90 | 156.5 | -178.9 | -62.2 | -176.5 | 178 | 129 | -5.7 | 111.2 | T45 S91 K92 I122 V126 | T45-R124 HydrophobicContact CG2-CG 4.29Å; S91-R124 PolarHBondContact O-NH1 2.98Å; K92-R124 VanDerWaalsContact CD-O 3.22Å; K92-R124 WeakPolarHBondContact CD-O 3.31Å; K92-R124 WeakPolarHBondContact CE-O 3.42Å; K92-R124 PolarHBondContact NZ-O 2.62Å; K92-R124 PolarHBondContact O-N 3.13Å; I122-R124 HydrophobicContact CG2-CG 4.2Å; R124-V126 VanDerWaalsContact C-N 3.32Å; R124-V126 PolarHBondContact O-N 3.02Å | ||
| 125 | F | 92.8 | Very high | 90.9 | Very high | 66 Ų | 66 | 40.6 Ų | 40.6 | 29% | 0.289 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 53 | 51.5 | 176.3 | -43.8 | -72.6 | 0 | 0 | 0 | 111.2 | G44 P87 V90 K92 D127 | G44-F125 PolarHBondContact O-N 2.94Å; G44-F125 VanDerWaalsContact O-N 3.12Å; P87-F125 HydrophobicContact CG-CD1 4.31Å; P87-F125 HydrophobicContact CG-CG 4.38Å; V90-F125 HydrophobicContact CB-CE2 3.9Å; V90-F125 HydrophobicContact CB-CZ 4.07Å; V90-F125 HydrophobicContact CG1-CE2 3.93Å; V90-F125 HydrophobicContact CG1-CZ 4.19Å; K92-F125 PolarHBondContact NZ-O 2.92Å; F125-D127 PolarHBondContact O-N 2.81Å |
| 126 | V | 93.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | trans | -56.5 | 131.4 | -175.9 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | V40 E42 K43 G44 A46 V123 R124 D130 I156 V158 | V40-V126 HydrophobicContact CG1-CG2 4.45Å; E42-V126 CarbonylContact C-O 3.56Å; K43-V126 PolarHBondContact N-O 2.88Å; G44-V126 WeakPolarHBondContact O-CG2 3.45Å; G44-V126 PolarHBondContact O-N 2.87Å; A46-V126 HydrophobicContact CB-CG2 3.84Å; V123-V126 HydrophobicContact CG1-CG2 4.37Å; V123-V126 WeakPolarHBondContact O-CG2 3.42Å; R124-V126 VanDerWaalsContact C-N 3.32Å; R124-V126 PolarHBondContact O-N 3.02Å; V126-D130 VanDerWaalsContact CA-OD2 3.3Å; V126-D130 WeakPolarHBondContact CA-OD2 3.22Å; V126-D130 HydrophobicContact CG1-CB 4.3Å; V126-I156 HydrophobicContact CG1-CG2 4.05Å; V126-V158 HydrophobicContact CG1-CG2 3.57Å | ||
| 127 | D | 91.8 | Very high | 92.3 | Very high | 55 Ų | 55 | 40.3 Ų | 40.3 | 29% | 0.294 | 20% | 0.197 | S | C | . | . | trans | -131 | 174.4 | -179.7 | 66.9 | 70.4 | 0 | 0 | 0 | 111.4 | K92 F125 N129 D130 | K92-D127 IonicContact NZ-OD2 2.9Å; K92-D127 PolarHBondContact NZ-OD2 2.85Å; F125-D127 PolarHBondContact O-N 2.81Å; D127-N129 PolarHBondContact O-N 3.13Å; D127-N129 VanDerWaalsContact OD1-CB 3.25Å; D127-N129 WeakPolarHBondContact OD1-CB 3.18Å; D127-N129 PolarHBondContact OD1-N 3.19Å; D127-N129 PolarHBondContact OD1-ND2 3Å; D127-D130 PolarHBondContact N-OD2 2.91Å; D127-D130 WeakPolarHBondContact O-CB 3.47Å; D127-D130 PolarHBondContact O-N 2.8Å | ||
| 128 | I | 88.3 | Confident | 92.7 | Very high | 80 Ų | 80 | 37.6 Ų | 37.6 | 41% | 0.41 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.6 | -30.7 | -175.6 | -167.3 | 160.6 | 0 | 0 | 0 | 113.4 | D130 A131 | I128-D130 VanDerWaalsContact C-N 3.27Å; I128-D130 PolarHBondContact O-N 2.79Å; I128-A131 VanDerWaalsContact O-CB 3.23Å; I128-A131 WeakPolarHBondContact O-CB 3.37Å; I128-A131 PolarHBondContact O-N 3.27Å; I128-A131 VanDerWaalsContact O-N 3.15Å |
| 129 | N | 89.9 | Confident | 92.8 | Very high | 106 Ų | 106 | 37.3 Ų | 37.3 | 57% | 0.567 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -72.9 | -24 | 179.5 | -49 | -72.5 | 0 | 0 | 0 | 111.8 | D127 A131 T133 | D127-N129 PolarHBondContact O-N 3.13Å; D127-N129 VanDerWaalsContact OD1-CB 3.25Å; D127-N129 WeakPolarHBondContact OD1-CB 3.18Å; D127-N129 PolarHBondContact OD1-N 3.19Å; D127-N129 PolarHBondContact OD1-ND2 3Å; N129-A131 PolarHBondContact O-N 3.16Å; N129-T133 PolarHBondContact O-OG1 2.92Å |
| 130 | D | 92.2 | Very high | 92.6 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 3% | 0.032 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -70.4 | -24.8 | 173.4 | -61.1 | -53.4 | 0 | 0 | 0 | 111.6 | K92 V126 D127 I128 D132 T133 I156 | K92-D130 WeakPolarHBondContact CE-OD1 3.34Å; K92-D130 WeakPolarHBondContact CE-OD2 3.44Å; K92-D130 IonicContact NZ-OD1 2.94Å; K92-D130 IonicContact NZ-OD2 3.53Å; K92-D130 PolarHBondContact NZ-OD2 3.05Å; V126-D130 VanDerWaalsContact CA-OD2 3.3Å; V126-D130 WeakPolarHBondContact CA-OD2 3.22Å; V126-D130 HydrophobicContact CG1-CB 4.3Å; D127-D130 PolarHBondContact N-OD2 2.91Å; D127-D130 WeakPolarHBondContact O-CB 3.47Å; D127-D130 PolarHBondContact O-N 2.8Å; I128-D130 VanDerWaalsContact C-N 3.27Å; I128-D130 PolarHBondContact O-N 2.79Å; D130-D132 VanDerWaalsContact C-N 3.3Å; D130-D132 PolarHBondContact O-N 3.45Å; D130-T133 PolarHBondContact O-N 3Å; D130-I156 HydrophobicContact CB-CD1 4.43Å |
| 131 | A | 88.4 | Confident | 92.2 | Very high | 38 Ų | 38 | 37 Ų | 37 | 31% | 0.314 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.6 | -35.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I128 N129 T133 I156 V158 | I128-A131 VanDerWaalsContact O-CB 3.23Å; I128-A131 WeakPolarHBondContact O-CB 3.37Å; I128-A131 PolarHBondContact O-N 3.27Å; I128-A131 VanDerWaalsContact O-N 3.15Å; N129-A131 PolarHBondContact O-N 3.16Å; A131-T133 VanDerWaalsContact C-N 3.29Å; A131-I156 WeakPolarHBondContact CA-O 3.34Å; A131-V158 HydrophobicContact CB-CB 4.23Å; A131-V158 HydrophobicContact CB-CG2 3.74Å |
| 132 | D | 84.7 | Confident | 91.5 | Very high | 137 Ų | 137 | 46.7 Ų | 46.7 | 73% | 0.733 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -4.1 | 178.5 | -61.4 | -36 | 0 | 0 | 0 | 112.5 | D130 | D130-D132 VanDerWaalsContact C-N 3.3Å; D130-D132 PolarHBondContact O-N 3.45Å |
| 133 | T | 91.5 | Very high | 90.9 | Very high | 14 Ų | 14 | 52.4 Ų | 52.4 | 9% | 0.086 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -96 | 122.6 | -174.6 | -64.1 | 0 | 0 | 0 | 0 | 111.2 | R66 V68 N129 D130 A131 F135 | R66-T133 HydrophobicContact CG-CG2 3.45Å; R66-T133 VanDerWaalsContact CG-CG2 3.45Å; V68-T133 HydrophobicContact CG2-CG2 4.29Å; N129-T133 PolarHBondContact O-OG1 2.92Å; D130-T133 PolarHBondContact O-N 3Å; A131-T133 VanDerWaalsContact C-N 3.29Å; T133-F135 HydrophobicContact CG2-CD2 4.44Å; T133-F135 HydrophobicContact CG2-CE1 4.21Å; T133-F135 HydrophobicContact CG2-CE2 3.89Å; T133-F135 HydrophobicContact CG2-CZ 3.77Å |
| 134 | Q | 95.2 | Very high | 90.4 | Very high | 68 Ų | 68 | 54.6 Ų | 54.6 | 32% | 0.318 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 135.8 | 168 | -179.6 | 168.7 | 89.5 | 0 | 0 | 110.9 | T67 Y153 N155 | T67-Q134 HydrophobicContact CG2-CB 4.22Å; T67-Q134 HydrophobicContact CG2-CG 4.17Å; T67-Q134 WeakPolarHBondContact CG2-O 3.21Å; T67-Q134 PolarHBondContact N-O 2.04Å; T67-Q134 VanDerWaalsContact N-O 3.07Å; T67-Q134 PolarHBondContact OG1-O 3.03Å; Q134-Y153 HydrophobicContact CG-CD1 3.94Å; Q134-Y153 HydrophobicContact CG-CG 4.4Å; Q134-N155 WeakPolarHBondContact CG-OD1 3.39Å; Q134-N155 PolarHBondContact NE2-OD1 2.9Å |
| 135 | F | 96.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133.8 | 174.8 | -63.7 | -86.4 | 0 | 0 | 0 | 109.4 | L48 W64 I73 Y93 L121 V123 T133 Y153 G154 I156 | L48-F135 HydrophobicContact CD1-CB 3.85Å; L48-F135 HydrophobicContact CD1-CD2 3.6Å; L48-F135 HydrophobicContact CD1-CE2 4.42Å; L48-F135 HydrophobicContact CD1-CG 3.85Å; W64-F135 HydrophobicContact CE3-CB 4.11Å; W64-F135 HydrophobicContact CZ3-CB 4.01Å; I73-F135 HydrophobicContact CD1-CD1 3.68Å; I73-F135 HydrophobicContact CD1-CE1 3.82Å; Y93-F135 AromaticContact CE1-CE1 3.75Å; Y93-F135 HydrophobicContact CE1-CE1 3.75Å; Y93-F135 HydrophobicContact CE1-CZ 4.06Å; L121-F135 HydrophobicContact CD2-CB 4.09Å; L121-F135 HydrophobicContact CD2-CD1 3.41Å; L121-F135 VanDerWaalsContact CD2-CD1 3.41Å; L121-F135 HydrophobicContact CD2-CE1 3.98Å; L121-F135 HydrophobicContact CD2-CG 3.81Å; V123-F135 HydrophobicContact CG2-CE1 4.2Å; V123-F135 HydrophobicContact CG2-CE2 4.32Å; V123-F135 HydrophobicContact CG2-CZ 3.89Å; T133-F135 HydrophobicContact CG2-CD2 4.44Å; T133-F135 HydrophobicContact CG2-CE1 4.21Å; T133-F135 HydrophobicContact CG2-CE2 3.89Å; T133-F135 HydrophobicContact CG2-CZ 3.77Å; F135-Y153 CarbonylContact O-C 3.58Å; F135-Y153 WeakPolarHBondContact O-CA 3.38Å; F135-G154 PolarHBondContact N-O 3.32Å; F135-G154 PolarHBondContact O-N 3.03Å; F135-I156 HydrophobicContact CD2-CD1 4.28Å; F135-I156 HydrophobicContact CD2-CG1 4.38Å; F135-I156 HydrophobicContact CE2-CD1 3.52Å; F135-I156 HydrophobicContact CE2-CG1 4Å; F135-I156 HydrophobicContact CZ-CD1 4.18Å |
| 136 | R | 95.5 | Very high | 89.9 | Confident | 64 Ų | 64 | 54.8 Ų | 54.8 | 24% | 0.242 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 118.5 | -179.3 | 179.3 | -169.7 | 178.5 | -155.3 | -0.9 | 108.7 | W64 Y65 T67 V138 V151 Y153 | W64-R136 CarbonylContact C-O 3.44Å; Y65-R136 PolarHBondContact N-O 3.13Å; Y65-R136 PolarHBondContact O-N 2.9Å; T67-R136 HydrophobicContact CG2-CB 3.9Å; R136-V138 HydrophobicContact CG-CG1 3.91Å; R136-V138 VanDerWaalsContact CZ-CG1 3.49Å; R136-V138 VanDerWaalsContact NE-CG1 3.26Å; R136-V151 HydrophobicContact CG-CG2 3.43Å; R136-V151 VanDerWaalsContact CG-CG2 3.43Å; R136-V151 VanDerWaalsContact NE-CG2 3.34Å; R136-Y153 HydrophobicContact CB-CD1 4.02Å; R136-Y153 HydrophobicContact CB-CE1 3.93Å; R136-Y153 HydrophobicContact CG-CD1 4.17Å; R136-Y153 HydrophobicContact CG-CE1 3.72Å |
| 137 | C | 95.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 133.8 | 167.5 | 174 | 0 | 0 | 0 | 0 | 109.2 | I35 C50 I62 S63 W64 V151 A152 | I35-C137 HydrophobicContact CD1-CB 3.74Å; C50-C137 HydrophobicContact CB-CB 3.66Å; C50-C137 WeakPolarHBondContact CB-SG 3.13Å; C50-C137 WeakPolarHBondContact SG-CB 3.31Å; C50-C137 CovalentContact SG-SG 2.02Å; C50-C137 PolarHBondContact SG-SG 2.97Å; I62-C137 WeakPolarHBondContact CG2-SG 3.4Å; S63-C137 WeakPolarHBondContact O-CA 3.42Å; W64-C137 HydrophobicContact CD2-CB 4.29Å; W64-C137 HydrophobicContact CE3-CB 3.99Å; W64-C137 HydrophobicContact CH2-CB 3.99Å; W64-C137 HydrophobicContact CZ2-CB 4.27Å; W64-C137 HydrophobicContact CZ3-CB 3.83Å; C137-V151 CarbonylContact O-C 3.58Å; C137-V151 VanDerWaalsContact O-CA 3.31Å; C137-V151 WeakPolarHBondContact O-CA 3.44Å; C137-V151 WeakPolarHBondContact O-CG2 3.4Å; C137-A152 HydrophobicContact CB-CB 4.48Å; C137-A152 PolarHBondContact N-O 2.88Å; C137-A152 PolarHBondContact O-N 3.3Å |
| 138 | V | 94.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 151.7 | 174.2 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | I62 S63 Y65 R136 E140 W149 P150 V151 | I62-V138 WeakPolarHBondContact CA-O 3.33Å; S63-V138 PolarHBondContact N-O 2.96Å; S63-V138 PolarHBondContact O-N 2.79Å; Y65-V138 HydrophobicContact CD2-CG2 3.74Å; Y65-V138 HydrophobicContact CE2-CG2 3.29Å; R136-V138 HydrophobicContact CG-CG1 3.91Å; R136-V138 VanDerWaalsContact CZ-CG1 3.49Å; R136-V138 VanDerWaalsContact NE-CG1 3.26Å; V138-E140 HydrophobicContact CG2-CG 4.12Å; V138-W149 HydrophobicContact CG2-CE3 4.29Å; V138-P150 VanDerWaalsContact CA-O 3.3Å; V138-P150 WeakPolarHBondContact CA-O 3.49Å; V138-V151 HydrophobicContact CG1-CB 4.28Å; V138-V151 HydrophobicContact CG1-CG2 4.04Å |
| 139 | I | 91.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 112.7 | 163.5 | -52.5 | 178.9 | 0 | 0 | 0 | 107.2 | P29 I31 A52 L141 P150 | P29-I139 HydrophobicContact CB-CD1 4.02Å; P29-I139 HydrophobicContact CB-CG2 4.37Å; P29-I139 HydrophobicContact CG-CD1 4.47Å; P29-I139 HydrophobicContact CG-CG2 3.97Å; I31-I139 HydrophobicContact CG1-CD1 3.92Å; I31-I139 HydrophobicContact CG1-CG1 4.02Å; A52-I139 HydrophobicContact CB-CD1 3.51Å; A52-I139 HydrophobicContact CB-CG1 4.16Å; I139-L141 HydrophobicContact CG2-CD2 4Å; I139-L141 HydrophobicContact CG2-CG 4.35Å; I139-L141 PolarHBondContact O-N 3.05Å; I139-P150 HydrophobicContact CB-CB 4.3Å; I139-P150 HydrophobicContact CB-CG 4.25Å; I139-P150 HydrophobicContact CD1-CB 3.94Å; I139-P150 HydrophobicContact CD1-CG 4.17Å; I139-P150 HydrophobicContact CG1-CB 4.15Å; I139-P150 PolarHBondContact N-O 2.81Å; I139-P150 VanDerWaalsContact N-O 3.08Å |
| 140 | E | 87.6 | Confident | 89.8 | Confident | 28 Ų | 28 | 58.1 Ų | 58.1 | 13% | 0.131 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 119.5 | 177.9 | -63.4 | -177.7 | 172.1 | 0 | 0 | 109.8 | Q61 S63 Y65 Q72 V138 W149 | Q61-E140 HydrophobicContact CG-CB 4.5Å; Q61-E140 PolarHBondContact NE2-OE2 2.8Å; Q61-E140 PolarHBondContact O-N 3.49Å; Q61-E140 VanDerWaalsContact O-N 3.12Å; S63-E140 WeakPolarHBondContact CB-OE1 3.47Å; S63-E140 PolarHBondContact OG-OE1 2.98Å; S63-E140 PolarHBondContact OG-OE2 2.78Å; Y65-E140 PolarHBondContact OH-OE1 2.91Å; Q72-E140 PolarHBondContact NE2-OE1 2.77Å; V138-E140 HydrophobicContact CG2-CG 4.12Å; E140-W149 HydrophobicContact CB-CH2 4.15Å; E140-W149 HydrophobicContact CB-CZ3 4.14Å; E140-W149 HydrophobicContact CG-CE3 4.17Å; E140-W149 HydrophobicContact CG-CH2 4.09Å; E140-W149 HydrophobicContact CG-CZ3 3.68Å |
| 141 | L | 85.9 | Confident | 89.8 | Confident | 14 Ų | 14 | 60.6 Ų | 60.6 | 7% | 0.073 | 32% | 0.316 | C | S | . | . | trans | -117.1 | 111.9 | -177.9 | -66.4 | 179.1 | 0 | 0 | 0 | 108.9 | P29 S60 I139 T143 T144 W149 P150 | P29-L141 HydrophobicContact CG-CD2 3.59Å; S60-L141 WeakPolarHBondContact OG-CD2 3.18Å; I139-L141 HydrophobicContact CG2-CD2 4Å; I139-L141 HydrophobicContact CG2-CG 4.35Å; I139-L141 PolarHBondContact O-N 3.05Å; L141-T143 VanDerWaalsContact C-N 3.27Å; L141-T143 PolarHBondContact O-N 2.94Å; L141-T144 HydrophobicContact CB-CG2 4.16Å; L141-T144 WeakPolarHBondContact CB-OG1 3.37Å; L141-T144 HydrophobicContact CD1-CG2 4.11Å; L141-T144 WeakPolarHBondContact CD1-OG1 3.41Å; L141-T144 PolarHBondContact O-N 2.96Å; L141-W149 PolarHBondContact O-NE1 3.17Å; L141-P150 HydrophobicContact CD1-CG 4.34Å | ||
| 142 | R | 80.7 | Confident | 90.1 | Very high | 203 Ų | 203 | 59.3 Ų | 59.3 | 77% | 0.766 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -33.6 | -172.5 | -66.8 | -172.1 | 179.2 | -167.4 | 9.3 | 114.1 | E59 | E59-R142 IonicContact OE2-CZ 3.95Å; E59-R142 IonicContact OE2-NE 2.87Å; E59-R142 IonicContact OE2-NH1 3.29Å; E59-R142 PolarHBondContact OE2-NH1 2.99Å; E59-R142 VanDerWaalsContact OE2-NH1 3.11Å; E59-R142 IonicContact OE2-NH2 3.32Å; E59-R142 PolarHBondContact OE2-NH2 2.96Å |
| 143 | T | 83 | Confident | 90.7 | Very high | 139 Ų | 139 | 58 Ų | 58 | 85% | 0.853 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -2.9 | -173.7 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | L141 | L141-T143 VanDerWaalsContact C-N 3.27Å; L141-T143 PolarHBondContact O-N 2.94Å |
| 144 | T | 84.7 | Confident | 90.8 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 28% | 0.282 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -111.7 | 146.1 | -179.8 | 68.1 | 0 | 0 | 0 | 0 | 111.3 | L141 W149 | L141-T144 HydrophobicContact CB-CG2 4.16Å; L141-T144 WeakPolarHBondContact CB-OG1 3.37Å; L141-T144 HydrophobicContact CD1-CG2 4.11Å; L141-T144 WeakPolarHBondContact CD1-OG1 3.41Å; L141-T144 PolarHBondContact O-N 2.96Å; T144-W149 PolarHBondContact O-NE1 2.83Å; T144-W149 PolarHBondContact OG1-NE1 3.01Å |
| 145 | P | 89.6 | Confident | 90.8 | Very high | 65 Ų | 65 | 57.1 Ų | 57.1 | 42% | 0.422 | 29% | 0.287 | S | S | . | . | trans | -54.8 | 141.6 | 172.5 | -25.9 | 35.7 | 0 | 0 | 0 | 112.4 | D147 Q148 | P145-D147 WeakPolarHBondContact CB-OD1 3.45Å; P145-D147 PolarHBondContact O-N 3.49Å; P145-Q148 HydrophobicContact CB-CG 4.33Å; P145-Q148 WeakPolarHBondContact O-CB 3.36Å; P145-Q148 PolarHBondContact O-N 2.75Å | ||
| 146 | V | 87.9 | Confident | 90.8 | Very high | 85 Ų | 85 | 57.2 Ų | 57.2 | 52% | 0.515 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -59.4 | -30.5 | -173.7 | 178.3 | 0 | 0 | 0 | 0 | 113.2 | Q148 W149 | V146-Q148 VanDerWaalsContact C-N 3.26Å; V146-Q148 PolarHBondContact O-N 2.83Å; V146-W149 HydrophobicContact CB-CD2 4.46Å; V146-W149 HydrophobicContact CG1-CD2 4.31Å; V146-W149 HydrophobicContact CG1-CE3 4.05Å; V146-W149 HydrophobicContact CG1-CH2 4.47Å; V146-W149 HydrophobicContact CG1-CZ3 4.12Å; V146-W149 HydrophobicContact CG2-CH2 4Å; V146-W149 HydrophobicContact CG2-CZ2 3.83Å; V146-W149 HydrophobicContact CG2-CZ3 4.47Å; V146-W149 WeakPolarHBondContact O-CB 3.28Å; V146-W149 PolarHBondContact O-N 2.75Å |
| 147 | D | 88.8 | Confident | 90.6 | Very high | 133 Ų | 133 | 57.1 Ų | 57.1 | 71% | 0.711 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -69.5 | -22 | 176 | 57.7 | -59.9 | 0 | 0 | 0 | 113.2 | P145 | P145-D147 WeakPolarHBondContact CB-OD1 3.45Å; P145-D147 PolarHBondContact O-N 3.49Å |
| 148 | Q | 89.6 | Confident | 90.5 | Very high | 125 Ų | 125 | 57.3 Ų | 57.3 | 58% | 0.584 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -95.4 | 2.6 | 179.1 | -60.2 | -178.8 | 3.5 | 0 | 0 | 112.9 | P145 V146 | P145-Q148 HydrophobicContact CB-CG 4.33Å; P145-Q148 WeakPolarHBondContact O-CB 3.36Å; P145-Q148 PolarHBondContact O-N 2.75Å; V146-Q148 VanDerWaalsContact C-N 3.26Å; V146-Q148 PolarHBondContact O-N 2.83Å |
| 149 | W | 90.9 | Very high | 90.4 | Very high | 41 Ų | 41 | 60.2 Ų | 60.2 | 16% | 0.155 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -67.9 | 132.3 | 179.1 | -70.2 | 2.1 | 0 | 0 | 0 | 111.2 | V138 E140 L141 T144 V146 V151 | V138-W149 HydrophobicContact CG2-CE3 4.29Å; E140-W149 HydrophobicContact CB-CH2 4.15Å; E140-W149 HydrophobicContact CB-CZ3 4.14Å; E140-W149 HydrophobicContact CG-CE3 4.17Å; E140-W149 HydrophobicContact CG-CH2 4.09Å; E140-W149 HydrophobicContact CG-CZ3 3.68Å; L141-W149 PolarHBondContact O-NE1 3.17Å; T144-W149 PolarHBondContact O-NE1 2.83Å; T144-W149 PolarHBondContact OG1-NE1 3.01Å; V146-W149 HydrophobicContact CB-CD2 4.46Å; V146-W149 HydrophobicContact CG1-CD2 4.31Å; V146-W149 HydrophobicContact CG1-CE3 4.05Å; V146-W149 HydrophobicContact CG1-CH2 4.47Å; V146-W149 HydrophobicContact CG1-CZ3 4.12Å; V146-W149 HydrophobicContact CG2-CH2 4Å; V146-W149 HydrophobicContact CG2-CZ2 3.83Å; V146-W149 HydrophobicContact CG2-CZ3 4.47Å; V146-W149 WeakPolarHBondContact O-CB 3.28Å; V146-W149 PolarHBondContact O-N 2.75Å; W149-V151 PolarHBondContact O-N 3.29Å |
| 150 | P | 91.7 | Very high | 90.4 | Very high | 15 Ų | 15 | 66 Ų | 66 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | trans | -54.6 | 130.8 | 172.6 | -22.8 | 30.8 | 0 | 0 | 0 | 110.6 | P29 I31 V138 I139 L141 | P29-P150 WeakPolarHBondContact O-CG 3.42Å; I31-P150 HydrophobicContact CG1-CB 4.4Å; V138-P150 VanDerWaalsContact CA-O 3.3Å; V138-P150 WeakPolarHBondContact CA-O 3.49Å; I139-P150 HydrophobicContact CB-CB 4.3Å; I139-P150 HydrophobicContact CB-CG 4.25Å; I139-P150 HydrophobicContact CD1-CB 3.94Å; I139-P150 HydrophobicContact CD1-CG 4.17Å; I139-P150 HydrophobicContact CG1-CB 4.15Å; I139-P150 PolarHBondContact N-O 2.81Å; I139-P150 VanDerWaalsContact N-O 3.08Å; L141-P150 HydrophobicContact CD1-CG 4.34Å | ||
| 151 | V | 93.6 | Very high | 90.7 | Very high | 58 Ų | 58 | 67.3 Ų | 67.3 | 35% | 0.352 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 140.2 | -172.6 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | I31 R136 C137 V138 W149 Y153 | I31-V151 VanDerWaalsContact CD1-C 3.45Å; R136-V151 HydrophobicContact CG-CG2 3.43Å; R136-V151 VanDerWaalsContact CG-CG2 3.43Å; R136-V151 VanDerWaalsContact NE-CG2 3.34Å; C137-V151 CarbonylContact O-C 3.58Å; C137-V151 VanDerWaalsContact O-CA 3.31Å; C137-V151 WeakPolarHBondContact O-CA 3.44Å; C137-V151 WeakPolarHBondContact O-CG2 3.4Å; V138-V151 HydrophobicContact CG1-CB 4.28Å; V138-V151 HydrophobicContact CG1-CG2 4.04Å; W149-V151 PolarHBondContact O-N 3.29Å; V151-Y153 HydrophobicContact CG1-CE2 4.2Å; V151-Y153 HydrophobicContact CG2-CD2 4.49Å; V151-Y153 HydrophobicContact CG2-CE1 4.09Å; V151-Y153 HydrophobicContact CG2-CE2 3.85Å |
| 152 | A | 94.7 | Very high | 91.1 | Very high | 10 Ų | 10 | 67.2 Ų | 67.2 | 8% | 0.083 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 152.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | I31 I35 C137 | I31-A152 HydrophobicContact CB-CB 4.47Å; I31-A152 HydrophobicContact CD1-CB 3.6Å; I31-A152 VanDerWaalsContact CD1-N 3.34Å; I31-A152 HydrophobicContact CG2-CB 3.78Å; I35-A152 HydrophobicContact CD1-CB 3.78Å; I35-A152 HydrophobicContact CG1-CB 4.07Å; C137-A152 HydrophobicContact CB-CB 4.48Å; C137-A152 PolarHBondContact N-O 2.88Å; C137-A152 PolarHBondContact O-N 3.3Å |
| 153 | Y | 95.9 | Very high | 91.8 | Very high | 110 Ų | 110 | 62.7 Ų | 62.7 | 43% | 0.431 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 136 | -177.8 | -60.5 | -82.1 | 0 | 0 | 0 | 110.4 | T67 Q134 F135 R136 V151 | T67-Y153 HydrophobicContact CG2-CD1 4.43Å; T67-Y153 HydrophobicContact CG2-CE1 4.33Å; Q134-Y153 HydrophobicContact CG-CD1 3.94Å; Q134-Y153 HydrophobicContact CG-CG 4.4Å; F135-Y153 CarbonylContact O-C 3.58Å; F135-Y153 WeakPolarHBondContact O-CA 3.38Å; R136-Y153 HydrophobicContact CB-CD1 4.02Å; R136-Y153 HydrophobicContact CB-CE1 3.93Å; R136-Y153 HydrophobicContact CG-CD1 4.17Å; R136-Y153 HydrophobicContact CG-CE1 3.72Å; V151-Y153 HydrophobicContact CG1-CE2 4.2Å; V151-Y153 HydrophobicContact CG2-CD2 4.49Å; V151-Y153 HydrophobicContact CG2-CE1 4.09Å; V151-Y153 HydrophobicContact CG2-CE2 3.85Å |
| 154 | G | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 142 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | F135 | F135-G154 PolarHBondContact N-O 3.32Å; F135-G154 PolarHBondContact O-N 3.03Å |
| 155 | N | 94.9 | Very high | 92.9 | Very high | 63 Ų | 63 | 57.8 Ų | 57.8 | 34% | 0.337 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 160.3 | 178.9 | -56.6 | -37.7 | 0 | 0 | 0 | 109.9 | T37 A38 Q134 | T37-N155 WeakPolarHBondContact CA-O 3.42Å; T37-N155 HydrophobicContact CG2-CB 4.28Å; T37-N155 WeakPolarHBondContact CG2-O 3.14Å; A38-N155 PolarHBondContact N-O 2.8Å; A38-N155 VanDerWaalsContact N-O 3.12Å; Q134-N155 WeakPolarHBondContact CG-OD1 3.39Å; Q134-N155 PolarHBondContact NE2-OD1 2.9Å |
| 156 | I | 94.7 | Very high | 93 | Very high | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.015 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.3 | 171.5 | -60.1 | 176.9 | 0 | 0 | 0 | 108 | A38 A46 L48 V123 V126 D130 A131 F135 V158 | A38-I156 HydrophobicContact CB-CG1 4.44Å; A38-I156 CarbonylContact O-C 3.56Å; A38-I156 WeakPolarHBondContact O-CA 3.31Å; A46-I156 HydrophobicContact CB-CD1 3.67Å; A46-I156 HydrophobicContact CB-CG1 4.04Å; A46-I156 HydrophobicContact CB-CG2 4.16Å; L48-I156 HydrophobicContact CD1-CG1 4.34Å; V123-I156 HydrophobicContact CB-CD1 3.93Å; V123-I156 HydrophobicContact CG1-CD1 4.12Å; V123-I156 HydrophobicContact CG2-CD1 3.83Å; V126-I156 HydrophobicContact CG1-CG2 4.05Å; D130-I156 HydrophobicContact CB-CD1 4.43Å; A131-I156 WeakPolarHBondContact CA-O 3.34Å; F135-I156 HydrophobicContact CD2-CD1 4.28Å; F135-I156 HydrophobicContact CD2-CG1 4.38Å; F135-I156 HydrophobicContact CE2-CD1 3.52Å; F135-I156 HydrophobicContact CE2-CG1 4Å; F135-I156 HydrophobicContact CZ-CD1 4.18Å; I156-V158 HydrophobicContact CG2-CG2 4.4Å |
| 157 | I | 92.3 | Very high | 93.2 | Very high | 61 Ų | 61 | 60 Ų | 60 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 117.8 | 168.2 | -70.1 | 171.8 | 0 | 0 | 0 | 107.6 | T37 A38 V39 V40 S188 | T37-I157 HydrophobicContact CG2-CB 4.23Å; T37-I157 HydrophobicContact CG2-CD1 3.53Å; T37-I157 HydrophobicContact CG2-CG1 3.52Å; A38-I157 PolarHBondContact O-N 2.87Å; V39-I157 CarbonylContact C-O 3.49Å; V39-I157 WeakPolarHBondContact CA-O 3.01Å; V39-I157 HydrophobicContact CG1-CB 4.3Å; V39-I157 HydrophobicContact CG1-CG2 4.04Å; V39-I157 HydrophobicContact CG2-CB 4.25Å; V39-I157 HydrophobicContact CG2-CD1 4.48Å; V40-I157 PolarHBondContact N-O 3.32Å; I157-S188 VanDerWaalsContact CG2-OG 3.23Å; I157-S188 WeakPolarHBondContact CG2-OG 3.46Å |
| 158 | V | 93.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.024 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 120.5 | 172.8 | -176.1 | 0 | 0 | 0 | 0 | 109 | V40 E42 V126 A131 I156 R160 S188 | V40-V158 CarbonylContact O-C 3.57Å; V40-V158 VanDerWaalsContact O-CA 3.27Å; V40-V158 WeakPolarHBondContact O-CA 3.01Å; E42-V158 HydrophobicContact CG-CG1 3.71Å; V126-V158 HydrophobicContact CG1-CG2 3.57Å; A131-V158 HydrophobicContact CB-CB 4.23Å; A131-V158 HydrophobicContact CB-CG2 3.74Å; I156-V158 HydrophobicContact CG2-CG2 4.4Å; V158-R160 PolarHBondContact O-N 2.72Å; V158-S188 WeakPolarHBondContact O-CB 3.47Å; V158-S188 PolarHBondContact O-OG 3.41Å |
| 159 | K | 92.2 | Very high | 93.5 | Very high | 61 Ų | 61 | 51.8 Ų | 51.8 | 27% | 0.265 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 124.7 | 179 | -71.8 | -174.3 | 177.4 | -172.2 | 0 | 110 | V39 V40 Q41 S188 V238 | V39-K159 HydrophobicContact CG1-CD 4.24Å; V39-K159 HydrophobicContact CG1-CG 3.68Å; V40-K159 PolarHBondContact O-N 3.37Å; Q41-K159 HydrophobicContact CG-CB 3.97Å; Q41-K159 HydrophobicContact CG-CD 3.91Å; Q41-K159 HydrophobicContact CG-CG 4.46Å; K159-S188 CarbonylContact C-O 3.59Å; K159-S188 VanDerWaalsContact CA-O 3.26Å; K159-S188 WeakPolarHBondContact CA-O 3.47Å; K159-V238 HydrophobicContact CB-CB 4.46Å; K159-V238 HydrophobicContact CB-CG1 3.94Å; K159-V238 HydrophobicContact CB-CG2 3.62Å; K159-V238 HydrophobicContact CD-CG2 4.03Å; K159-V238 HydrophobicContact CG-CG2 3.81Å |
| 160 | R | 91.5 | Very high | 93.7 | Very high | 123 Ų | 123 | 53.6 Ų | 53.6 | 46% | 0.464 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 133.7 | 172 | -66.1 | -169.8 | -66.5 | -159.5 | -2.4 | 109.6 | V158 S188 N236 | V158-R160 PolarHBondContact O-N 2.72Å; R160-S188 PolarHBondContact N-O 2.88Å; R160-S188 PolarHBondContact O-N 3.25Å; R160-S188 VanDerWaalsContact O-N 3.11Å; R160-S188 VanDerWaalsContact O-O 3.11Å; R160-N236 PolarHBondContact O-ND2 3.11Å |
| 161 | A | 93 | Very high | 93.9 | Very high | 55 Ų | 55 | 57.4 Ų | 57.4 | 46% | 0.455 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 153.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 162 | P | 95.2 | Very high | 94 | Very high | 11 Ų | 11 | 61 Ų | 61 | 7% | 0.071 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 143.8 | 174.7 | -20.5 | 33.7 | 0 | 0 | 0 | 112.1 | Q186 P191 A234 N236 G240 A242 | P162-Q186 CarbonylContact C-O 3.56Å; P162-Q186 VanDerWaalsContact CA-O 3.3Å; P162-Q186 WeakPolarHBondContact CA-O 3.08Å; P162-P191 HydrophobicContact CB-CB 4.01Å; P162-P191 HydrophobicContact CG-CB 4.22Å; P162-A234 HydrophobicContact CB-CB 4.01Å; P162-A234 WeakPolarHBondContact CB-O 3.26Å; P162-N236 WeakPolarHBondContact CD-OD1 3.43Å; P162-N236 HydrophobicContact CG-CB 4.24Å; P162-G240 WeakPolarHBondContact CD-O 3.2Å; P162-A242 HydrophobicContact CB-CB 4.35Å; P162-A242 WeakPolarHBondContact O-CB 3.45Å |
| 163 | E | 94.5 | Very high | 94.1 | Very high | 108 Ų | 108 | 61 Ų | 61 | 51% | 0.505 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 128.2 | 171.9 | -177.2 | -174.7 | -179.5 | 0 | 0 | 108.9 | A185 Q186 | E163-A185 CarbonylContact O-C 3.58Å; E163-A185 WeakPolarHBondContact O-CA 3.41Å; E163-A185 WeakPolarHBondContact O-CB 3.34Å; E163-Q186 HydrophobicContact CB-CG 3.98Å; E163-Q186 PolarHBondContact N-O 2.83Å; E163-Q186 PolarHBondContact O-N 3.38Å; E163-Q186 PolarHBondContact OE2-NE2 3.05Å |
| 164 | I | 95.2 | Very high | 94.1 | Very high | 25 Ų | 25 | 57.8 Ų | 57.8 | 13% | 0.128 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 126 | 176.6 | -68.8 | 168.9 | 0 | 0 | 0 | 108.9 | A185 C232 A234 A242 E243 Y244 | I164-A185 HydrophobicContact CG1-CB 4.32Å; I164-C232 HydrophobicContact CD1-CB 4.4Å; I164-A234 HydrophobicContact CD1-CB 4.45Å; I164-A234 HydrophobicContact CG1-CB 4Å; I164-A242 HydrophobicContact CD1-CB 4.11Å; I164-A242 HydrophobicContact CG1-CB 3.88Å; I164-E243 VanDerWaalsContact CD1-C 3.48Å; I164-Y244 HydrophobicContact CG2-CG 4.49Å |
| 165 | L | 95.4 | Very high | 94.1 | Very high | 58 Ų | 58 | 60.8 Ų | 60.8 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -74.8 | 148.9 | 179.3 | -63 | 178.7 | 0 | 0 | 0 | 110.9 | R184 Q186 | L165-R184 HydrophobicContact CB-CB 4.24Å; L165-R184 HydrophobicContact CD1-CB 4.06Å; L165-R184 PolarHBondContact N-O 2.86Å; L165-Q186 HydrophobicContact CD2-CB 4.36Å; L165-Q186 HydrophobicContact CD2-CG 3.94Å |
| 166 | P | 92.8 | Very high | 94 | Very high | 130 Ų | 130 | 59.7 Ų | 59.7 | 84% | 0.844 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 151.4 | 174 | 27.6 | -34.9 | 0 | 0 | 0 | 111.5 | ||
| 167 | G | 90.8 | Very high | 94 | Very high | 65 Ų | 65 | 63.6 Ų | 63.6 | 67% | 0.67 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 128.8 | -14.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | T169 | G167-T169 PolarHBondContact O-N 2.93Š|
| 168 | L | 92.4 | Very high | 94.1 | Very high | 10 Ų | 10 | 64.2 Ų | 64.2 | 5% | 0.052 | 38% | 0.377 | C | S | . | . | trans | -80.2 | 112.1 | 167.8 | -178.9 | 57.4 | 0 | 0 | 0 | 109.3 | L181 C183 W195 C232 Y244 V246 | L168-L181 HydrophobicContact CD1-CB 4.25Å; L168-L181 HydrophobicContact CD1-CD2 4.38Å; L168-C183 HydrophobicContact CD2-CB 4.24Å; L168-W195 HydrophobicContact CD1-CH2 3.78Å; L168-W195 HydrophobicContact CD2-CH2 3.5Å; L168-W195 HydrophobicContact CD2-CZ2 4.42Å; L168-W195 HydrophobicContact CD2-CZ3 4.07Å; L168-W195 HydrophobicContact CG-CH2 4.3Å; L168-C232 HydrophobicContact CD2-CB 4.04Å; L168-Y244 HydrophobicContact CB-CD1 4.28Å; L168-Y244 HydrophobicContact CB-CE1 4.36Å; L168-Y244 HydrophobicContact CD2-CD1 3.81Å; L168-Y244 HydrophobicContact CG-CD1 4.1Å; L168-Y244 HydrophobicContact CG-CE1 4.35Å; L168-Y244 WeakPolarHBondContact O-CE1 3.44Å; L168-V246 HydrophobicContact CD1-CB 4.32Å; L168-V246 HydrophobicContact CD1-CG1 4.14Å; L168-V246 HydrophobicContact CD1-CG2 4.2Å; L168-V246 HydrophobicContact CD2-CB 4.32Å; L168-V246 HydrophobicContact CD2-CG1 4.2Å; L168-V246 HydrophobicContact CG-CB 4.06Å; L168-V246 HydrophobicContact CG-CG1 4.24Å; L168-V246 HydrophobicContact CG-CG2 4.24Å | ||
| 169 | T | 93.9 | Very high | 94.1 | Very high | 77 Ų | 77 | 64.6 Ų | 64.6 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | trans | -127.5 | 154.3 | -177.2 | 65.2 | 0 | 0 | 0 | 0 | 111.2 | G167 V246 | G167-T169 PolarHBondContact O-N 2.93Å; T169-V246 VanDerWaalsContact O-CG2 3.24Å; T169-V246 WeakPolarHBondContact O-CG2 2.94Å | ||
| 170 | S | 95.3 | Very high | 94.2 | Very high | 79 Ų | 79 | 64.9 Ų | 64.9 | 55% | 0.552 | 39% | 0.386 | S | S | * | . | trans | -55 | 145.7 | 175.4 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | M247 | S170-M247 CarbonylContact C-O 3.57Å; S170-M247 WeakPolarHBondContact CA-O 3.29Å; S170-M247 VanDerWaalsContact CB-O 3.29Å; S170-M247 WeakPolarHBondContact CB-O 3.25Å; S170-M247 PolarHBondContact OG-N 2.91Å | ||
| 171 | K | 95.6 | Very high | 94.3 | Very high | 95 Ų | 95 | 59.2 Ų | 59.2 | 41% | 0.413 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 142.3 | -176.8 | -67.3 | -64.8 | -176.8 | -179.6 | 0 | 110.5 | L179 L181 M247 V248 E249 | K171-L179 HydrophobicContact CB-CD1 3.83Å; K171-L179 HydrophobicContact CG-CD1 4.02Å; K171-L181 HydrophobicContact CG-CD2 3.78Å; K171-M247 PolarHBondContact N-O 2.78Å; K171-V248 WeakPolarHBondContact O-CA 3.25Å; K171-E249 PolarHBondContact O-N 3.07Å |
| 172 | I | 95.8 | Very high | 94.3 | Very high | 132 Ų | 132 | 59.1 Ų | 59.1 | 68% | 0.677 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124.3 | 169.9 | -59.1 | 171.5 | 0 | 0 | 0 | 105.9 | E249 N251 | I172-E249 WeakPolarHBondContact CA-O 3.35Å; I172-E249 HydrophobicContact CG1-CB 4.12Å; I172-N251 WeakPolarHBondContact CG2-ND2 3.14Å |
| 173 | V | 95.8 | Very high | 94.3 | Very high | 12 Ų | 12 | 58.6 Ų | 58.6 | 7% | 0.073 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 154.5 | -175.9 | 58.6 | 0 | 0 | 0 | 0 | 109.8 | D177 V222 V248 E249 V250 N251 | V173-D177 HydrophobicContact CG2-CB 3.7Å; V173-V222 HydrophobicContact CG1-CB 4.47Å; V173-V222 HydrophobicContact CG1-CG1 3.89Å; V173-V222 HydrophobicContact CG1-CG2 4.19Å; V173-V222 HydrophobicContact CG2-CB 4.42Å; V173-V222 HydrophobicContact CG2-CG2 4.04Å; V173-V248 HydrophobicContact CG1-CG1 4.22Å; V173-E249 WeakPolarHBondContact CG1-O 3.29Å; V173-E249 PolarHBondContact N-O 2.89Å; V173-V250 HydrophobicContact CG1-CG2 4.12Å; V173-V250 CarbonylContact O-C 3.5Å; V173-V250 WeakPolarHBondContact O-CA 3.22Å; V173-N251 PolarHBondContact O-N 2.77Å |
| 174 | T | 96.4 | Very high | 94.3 | Very high | 42 Ų | 42 | 61.6 Ų | 61.6 | 26% | 0.258 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 143.8 | 176.3 | -43.2 | 0 | 0 | 0 | 0 | 110 | G176 D177 N251 Y354 | T174-G176 PolarHBondContact O-N 3.34Å; T174-D177 VanDerWaalsContact CB-OD2 3.31Å; T174-D177 WeakPolarHBondContact CB-OD2 3.46Å; T174-D177 VanDerWaalsContact O-CB 3.3Å; T174-D177 WeakPolarHBondContact O-CB 3.31Å; T174-D177 PolarHBondContact O-N 3.25Å; T174-D177 PolarHBondContact OG1-OD2 2.85Å; T174-N251 CarbonylContact C-O 3.57Å; T174-N251 WeakPolarHBondContact CA-O 3.42Å; T174-N251 HydrophobicContact CG2-CB 4.45Å; T174-Y354 HydrophobicContact CG2-CD1 4.04Å; T174-Y354 HydrophobicContact CG2-CE1 3.99Å |
| 175 | E | 94.5 | Very high | 94.2 | Very high | 62 Ų | 62 | 61.5 Ų | 61.5 | 29% | 0.29 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 130.3 | 172.5 | -178.9 | 174.2 | -108.9 | 0 | 0 | 110.1 | R224 V250 N251 Y252 | E175-R224 WeakPolarHBondContact OE1-CB 3.37Å; E175-R224 IonicContact OE1-CZ 3.51Å; E175-R224 PolarHBondContact OE1-N 3.5Å; E175-R224 IonicContact OE1-NE 2.68Å; E175-R224 PolarHBondContact OE1-NE 2.95Å; E175-R224 IonicContact OE1-NH2 3.1Å; E175-R224 PolarHBondContact OE1-NH2 2.89Å; E175-R224 IonicContact OE2-CZ 2.85Å; E175-R224 IonicContact OE2-NE 2.85Å; E175-R224 IonicContact OE2-NH2 2.74Å; E175-R224 PolarHBondContact OE2-NH2 2.96Å; E175-V250 HydrophobicContact CB-CG1 4.2Å; E175-N251 PolarHBondContact N-O 3.06Å; E175-Y252 WeakPolarHBondContact OE2-CB 3.25Å |
| 176 | G | 93.5 | Very high | 94.1 | Very high | 41 Ų | 41 | 63.4 Ų | 63.4 | 42% | 0.423 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 97.6 | -24.1 | -173 | 0 | 0 | 0 | 0 | 0 | 115.2 | T174 V222 | T174-G176 PolarHBondContact O-N 3.34Å; G176-V222 PolarHBondContact N-O 2.87Å |
| 177 | D | 95.4 | Very high | 94.1 | Very high | 84 Ų | 84 | 58.1 Ų | 58.1 | 45% | 0.449 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -77.5 | 170.6 | 178.8 | -68.3 | -23.4 | 0 | 0 | 0 | 112 | V173 T174 R221 V222 | V173-D177 HydrophobicContact CG2-CB 3.7Å; T174-D177 VanDerWaalsContact CB-OD2 3.31Å; T174-D177 WeakPolarHBondContact CB-OD2 3.46Å; T174-D177 VanDerWaalsContact O-CB 3.3Å; T174-D177 WeakPolarHBondContact O-CB 3.31Å; T174-D177 PolarHBondContact O-N 3.25Å; T174-D177 PolarHBondContact OG1-OD2 2.85Å; D177-R221 CarbonylContact O-C 3.58Å; D177-R221 WeakPolarHBondContact O-CA 3.45Å; D177-V222 WeakPolarHBondContact O-CB 3.45Å; D177-V222 WeakPolarHBondContact O-CG2 3.33Å; D177-V222 PolarHBondContact O-N 2.85Å |
| 178 | S | 93.8 | Very high | 94.1 | Very high | 75 Ų | 75 | 56 Ų | 56 | 52% | 0.524 | 32% | 0.316 | S | S | . | . | trans | -94.9 | 143.2 | 173.9 | 74.2 | 0 | 0 | 0 | 0 | 112.3 | I219 P220 | S178-I219 CarbonylContact C-O 3.6Å; S178-I219 VanDerWaalsContact CA-O 3.32Å; S178-I219 WeakPolarHBondContact CA-O 3.42Å; S178-P220 WeakPolarHBondContact CB-O 3.43Å | ||
| 179 | L | 93.3 | Very high | 94 | Very high | 11 Ų | 11 | 56.9 Ų | 56.9 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 136.7 | 175.6 | 175.7 | 68.8 | 0 | 0 | 0 | 110.5 | K171 L181 H218 I219 V222 V248 | K171-L179 HydrophobicContact CB-CD1 3.83Å; K171-L179 HydrophobicContact CG-CD1 4.02Å; L179-L181 HydrophobicContact CD1-CD2 4.08Å; L179-L181 HydrophobicContact CD1-CG 4.43Å; L179-L181 HydrophobicContact CD2-CG 4.4Å; L179-L181 HydrophobicContact CG-CD2 4.5Å; L179-L181 HydrophobicContact CG-CG 4.31Å; L179-H218 WeakPolarHBondContact O-CA 3.32Å; L179-H218 PolarHBondContact O-ND1 3.03Å; L179-I219 HydrophobicContact CB-CB 4.28Å; L179-I219 HydrophobicContact CD2-CD1 4.08Å; L179-I219 PolarHBondContact N-O 3.44Å; L179-I219 PolarHBondContact O-N 2.86Å; L179-V222 HydrophobicContact CB-CG2 3.54Å; L179-V248 HydrophobicContact CD2-CB 4.37Å; L179-V248 HydrophobicContact CD2-CG1 3.56Å; L179-V248 HydrophobicContact CD2-CG2 3.84Å |
| 180 | T | 93.3 | Very high | 93.9 | Very high | 68 Ų | 68 | 58.5 Ų | 58.5 | 42% | 0.417 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 120.9 | 173.6 | -58.3 | 0 | 0 | 0 | 0 | 109.7 | V182 T216 L217 H218 | T180-V182 HydrophobicContact CG2-CG2 4.15Å; T180-T216 HydrophobicContact CG2-CG2 3.53Å; T180-L217 WeakPolarHBondContact CA-O 3.24Å; T180-H218 PolarHBondContact OG1-ND1 2.96Å |
| 181 | L | 94.6 | Very high | 93.7 | Very high | 3 Ų | 3 | 55.9 Ų | 55.9 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.1 | 173.2 | -58.6 | 178.8 | 0 | 0 | 0 | 109 | L168 K171 L179 W195 T216 L217 Y230 V246 V248 | L168-L181 HydrophobicContact CD1-CB 4.25Å; L168-L181 HydrophobicContact CD1-CD2 4.38Å; K171-L181 HydrophobicContact CG-CD2 3.78Å; L179-L181 HydrophobicContact CD1-CD2 4.08Å; L179-L181 HydrophobicContact CD1-CG 4.43Å; L179-L181 HydrophobicContact CD2-CG 4.4Å; L179-L181 HydrophobicContact CG-CD2 4.5Å; L179-L181 HydrophobicContact CG-CG 4.31Å; L181-W195 HydrophobicContact CB-CH2 3.7Å; L181-W195 HydrophobicContact CB-CZ2 3.89Å; L181-W195 HydrophobicContact CB-CZ3 4.42Å; L181-W195 HydrophobicContact CD1-CH2 4.26Å; L181-W195 HydrophobicContact CD1-CZ3 4.21Å; L181-T216 CarbonylContact O-C 3.54Å; L181-T216 VanDerWaalsContact O-CA 3.32Å; L181-T216 WeakPolarHBondContact O-CA 3.17Å; L181-L217 HydrophobicContact CB-CB 4.38Å; L181-L217 HydrophobicContact CD1-CD2 4.35Å; L181-L217 PolarHBondContact N-O 3.02Å; L181-L217 PolarHBondContact O-N 3.47Å; L181-Y230 HydrophobicContact CD1-CG 4.34Å; L181-V246 HydrophobicContact CD1-CG1 3.98Å; L181-V248 HydrophobicContact CD1-CG2 3.92Å |
| 182 | V | 93.7 | Very high | 93.6 | Very high | 54 Ų | 54 | 58 Ų | 58 | 33% | 0.327 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 117.2 | -179.5 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | T180 R184 T216 | T180-V182 HydrophobicContact CG2-CG2 4.15Å; V182-R184 HydrophobicContact CG1-CG 4.18Å; V182-T216 HydrophobicContact CG2-CG2 4.08Å |
| 183 | C | 94.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -105.7 | 128.4 | 173.6 | -175.2 | 0 | 0 | 0 | 0 | 109.3 | L168 I193 W195 S215 C232 | L168-C183 HydrophobicContact CD2-CB 4.24Å; C183-I193 HydrophobicContact CB-CG2 4.13Å; C183-I193 WeakPolarHBondContact O-CD1 3.49Å; C183-W195 HydrophobicContact CB-CH2 4.01Å; C183-W195 HydrophobicContact CB-CZ2 3.44Å; C183-W195 VanDerWaalsContact CB-CZ2 3.44Å; C183-S215 PolarHBondContact N-O 3.44Å; C183-S215 WeakPolarHBondContact O-CB 3.2Å; C183-C232 HydrophobicContact CB-CB 3.68Å; C183-C232 WeakPolarHBondContact CB-SG 3.35Å; C183-C232 WeakPolarHBondContact SG-CB 2.96Å; C183-C232 CovalentContact SG-SG 2.02Å; C183-C232 PolarHBondContact SG-SG 2.8Å | ||
| 184 | R | 94.5 | Very high | 93.1 | Very high | 171 Ų | 171 | 55.3 Ų | 55.3 | 65% | 0.645 | 32% | 0.319 | S | S | * | . | trans | -117.7 | 138.8 | 176.8 | -63.5 | -179.5 | 179.6 | 161.1 | -0.7 | 108.2 | L165 V182 | L165-R184 HydrophobicContact CB-CB 4.24Å; L165-R184 HydrophobicContact CD1-CB 4.06Å; L165-R184 PolarHBondContact N-O 2.86Å; V182-R184 HydrophobicContact CG1-CG 4.18Å | ||
| 185 | A | 94 | Very high | 92.9 | Very high | 23 Ų | 23 | 53.8 Ų | 53.8 | 19% | 0.19 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 148.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | E163 I164 P191 I193 A234 | E163-A185 CarbonylContact O-C 3.58Å; E163-A185 WeakPolarHBondContact O-CA 3.41Å; E163-A185 WeakPolarHBondContact O-CB 3.34Å; I164-A185 HydrophobicContact CG1-CB 4.32Å; A185-P191 HydrophobicContact CB-CB 4.45Å; A185-P191 HydrophobicContact CB-CG 3.75Å; A185-I193 HydrophobicContact CB-CD1 4.02Å; A185-I193 HydrophobicContact CB-CG1 4.26Å; A185-A234 HydrophobicContact CB-CB 3.53Å |
| 186 | Q | 93.5 | Very high | 92.7 | Very high | 98 Ų | 98 | 53.2 Ų | 53.2 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 156.5 | 171.6 | 65.9 | 178.7 | 18.4 | 0 | 0 | 110.1 | P162 E163 L165 | P162-Q186 CarbonylContact C-O 3.56Å; P162-Q186 VanDerWaalsContact CA-O 3.3Å; P162-Q186 WeakPolarHBondContact CA-O 3.08Å; E163-Q186 HydrophobicContact CB-CG 3.98Å; E163-Q186 PolarHBondContact N-O 2.83Å; E163-Q186 PolarHBondContact O-N 3.38Å; E163-Q186 PolarHBondContact OE2-NE2 3.05Å; L165-Q186 HydrophobicContact CD2-CB 4.36Å; L165-Q186 HydrophobicContact CD2-CG 3.94Å |
| 187 | G | 92 | Very high | 92.5 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.2 | 164.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | P189 | G187-P189 CarbonylContact C-O 3.59Å; G187-P189 VanDerWaalsContact C-O 3.23Å; G187-P189 CarbonylContact O-C 3.55Å |
| 188 | S | 91.5 | Very high | 92.1 | Very high | 21 Ų | 21 | 49.3 Ų | 49.3 | 15% | 0.147 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 116.2 | 178.4 | 176.6 | 0 | 0 | 0 | 0 | 109.7 | I157 V158 K159 R160 V238 | I157-S188 VanDerWaalsContact CG2-OG 3.23Å; I157-S188 WeakPolarHBondContact CG2-OG 3.46Å; V158-S188 WeakPolarHBondContact O-CB 3.47Å; V158-S188 PolarHBondContact O-OG 3.41Å; K159-S188 CarbonylContact C-O 3.59Å; K159-S188 VanDerWaalsContact CA-O 3.26Å; K159-S188 WeakPolarHBondContact CA-O 3.47Å; R160-S188 PolarHBondContact N-O 2.88Å; R160-S188 PolarHBondContact O-N 3.25Å; R160-S188 VanDerWaalsContact O-N 3.11Å; R160-S188 VanDerWaalsContact O-O 3.11Å; S188-V238 WeakPolarHBondContact O-CG2 3.07Å |
| 189 | P | 89.9 | Confident | 91.6 | Very high | 27 Ų | 27 | 49 Ų | 49 | 18% | 0.175 | 28% | 0.276 | C | S | . | . | S | Bend | cis | -58.7 | 165.9 | -4.6 | -23.5 | 36.1 | 0 | 0 | 0 | 113.7 | V39 G187 N236 N237 | V39-P189 HydrophobicContact CG1-CG 4.46Å; G187-P189 CarbonylContact C-O 3.59Å; G187-P189 VanDerWaalsContact C-O 3.23Å; G187-P189 CarbonylContact O-C 3.55Å; P189-N236 WeakPolarHBondContact O-CB 3.29Å; P189-N236 PolarHBondContact O-ND2 2.86Å; P189-N237 WeakPolarHBondContact CD-OD1 3.17Å; P189-N237 VanDerWaalsContact CG-OD1 3.3Å; P189-N237 WeakPolarHBondContact CG-OD1 3.44Å |
| 190 | P | 90.7 | Very high | 91.2 | Very high | 112 Ų | 112 | 51.9 Ų | 51.9 | 73% | 0.727 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 130.4 | -180 | -27.1 | 34.9 | 0 | 0 | 0 | 111.9 | ||
| 191 | P | 92.7 | Very high | 90.5 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 16% | 0.156 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -73.4 | 142 | -179.8 | 29.6 | -33.9 | 0 | 0 | 0 | 111.6 | P162 A185 A234 V235 | P162-P191 HydrophobicContact CB-CB 4.01Å; P162-P191 HydrophobicContact CG-CB 4.22Å; A185-P191 HydrophobicContact CB-CB 4.45Å; A185-P191 HydrophobicContact CB-CG 3.75Å; P191-A234 HydrophobicContact CB-CB 4.29Å; P191-V235 CarbonylContact C-O 3.55Å; P191-V235 VanDerWaalsContact CA-O 3.29Å; P191-V235 WeakPolarHBondContact CA-O 3.44Å |
| 192 | M | 91.5 | Very high | 89.8 | Confident | 138 Ų | 138 | 55.6 Ų | 55.6 | 68% | 0.68 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 133.6 | 164.6 | -67.9 | -174.3 | -67.6 | 0 | 0 | 109 | A234 V235 | M192-A234 WeakPolarHBondContact O-CA 3.32Å; M192-V235 HydrophobicContact CB-CG2 4.32Å; M192-V235 PolarHBondContact N-O 3.06Å; M192-V235 PolarHBondContact O-N 2.88Å |
| 193 | I | 91.9 | Very high | 89 | Confident | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.185 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 134.2 | 179.5 | -61 | 177.4 | 0 | 0 | 0 | 108.9 | C183 A185 Y233 | C183-I193 HydrophobicContact CB-CG2 4.13Å; C183-I193 WeakPolarHBondContact O-CD1 3.49Å; A185-I193 HydrophobicContact CB-CD1 4.02Å; A185-I193 HydrophobicContact CB-CG1 4.26Å; I193-Y233 CarbonylContact C-O 3.54Å; I193-Y233 VanDerWaalsContact CA-O 3.26Å; I193-Y233 WeakPolarHBondContact CA-O 3.4Å |
| 194 | S | 90.6 | Very high | 87.7 | Confident | 53 Ų | 53 | 57 Ų | 57 | 37% | 0.371 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 159.8 | 172.6 | 60.7 | 0 | 0 | 0 | 0 | 110.4 | Y233 | S194-Y233 PolarHBondContact N-O 2.02Å; S194-Y233 PolarHBondContact O-N 2.84Å; S194-Y233 WeakPolarHBondContact OG-CB 3.43Å |
| 195 | W | 91.4 | Very high | 85.9 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 3% | 0.034 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146 | 179.3 | -74 | 94.5 | 0 | 0 | 0 | 109.4 | L168 L181 C183 L203 S215 L217 R231 C232 V246 | L168-W195 HydrophobicContact CD1-CH2 3.78Å; L168-W195 HydrophobicContact CD2-CH2 3.5Å; L168-W195 HydrophobicContact CD2-CZ2 4.42Å; L168-W195 HydrophobicContact CD2-CZ3 4.07Å; L168-W195 HydrophobicContact CG-CH2 4.3Å; L181-W195 HydrophobicContact CB-CH2 3.7Å; L181-W195 HydrophobicContact CB-CZ2 3.89Å; L181-W195 HydrophobicContact CB-CZ3 4.42Å; L181-W195 HydrophobicContact CD1-CH2 4.26Å; L181-W195 HydrophobicContact CD1-CZ3 4.21Å; C183-W195 HydrophobicContact CB-CH2 4.01Å; C183-W195 HydrophobicContact CB-CZ2 3.44Å; C183-W195 VanDerWaalsContact CB-CZ2 3.44Å; W195-L203 HydrophobicContact CB-CD1 3.69Å; W195-L203 HydrophobicContact CB-CD2 4.47Å; W195-L203 WeakPolarHBondContact O-CD1 3.45Å; W195-S215 PolarHBondContact NE1-O 2.73Å; W195-L217 HydrophobicContact CB-CD2 4.49Å; W195-L217 HydrophobicContact CD2-CB 4Å; W195-L217 HydrophobicContact CD2-CD2 4.29Å; W195-L217 HydrophobicContact CE3-CD2 4.33Å; W195-L217 HydrophobicContact CG-CB 4Å; W195-L217 HydrophobicContact CG-CD2 4.39Å; W195-L217 HydrophobicContact CZ2-CB 4.46Å; W195-R231 WeakPolarHBondContact CA-O 3Å; W195-C232 HydrophobicContact CD2-CB 4.41Å; W195-C232 HydrophobicContact CE3-CB 4.11Å; W195-C232 HydrophobicContact CH2-CB 4.02Å; W195-C232 HydrophobicContact CZ2-CB 4.32Å; W195-C232 HydrophobicContact CZ3-CB 3.89Å; W195-V246 HydrophobicContact CH2-CG1 4.44Å; W195-V246 HydrophobicContact CZ3-CG1 4.03Å |
| 196 | T | 90.1 | Very high | 83.8 | Confident | 51 Ų | 51 | 56.7 Ų | 56.7 | 31% | 0.313 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 165.3 | 168.6 | 66.3 | 0 | 0 | 0 | 0 | 109.8 | R231 Y233 | T196-R231 PolarHBondContact N-O 3.09Å; T196-R231 PolarHBondContact O-N 2.81Å; T196-Y233 HydrophobicContact CG2-CD2 4.11Å; T196-Y233 HydrophobicContact CG2-CE2 4.19Å; T196-Y233 WeakPolarHBondContact OG1-CE2 3.3Å |
| 197 | R | 89.5 | Confident | 81.8 | Confident | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.019 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 137.7 | 162.6 | -64.2 | -168.4 | 175.4 | -154.3 | 9.3 | 108.8 | N199 G200 R201 L203 Y225 D226 Y230 | R197-N199 WeakPolarHBondContact CB-OD1 3.16Å; R197-N199 PolarHBondContact O-N 3.26Å; R197-G200 PolarHBondContact O-N 2.84Å; R197-R201 HydrophobicContact CB-CB 4.46Å; R197-L203 HydrophobicContact CG-CD2 4.06Å; R197-Y225 PolarHBondContact NH1-O 2.92Å; R197-Y225 PolarHBondContact NH2-O 2.81Å; R197-D226 IonicContact NH2-OD1 2.81Å; R197-D226 PolarHBondContact NH2-OD1 3.42Å; R197-Y230 HydrophobicContact CG-CD1 4.41Å; R197-Y230 HydrophobicContact CG-CE1 4.22Å; R197-Y230 PolarHBondContact NH2-OH 3.06Å |
| 198 | A | 87.5 | Confident | 79.9 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 31% | 0.314 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -24 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G200 I229 | A198-G200 VanDerWaalsContact C-N 3.28Å; A198-G200 PolarHBondContact O-N 2.88Å; A198-I229 HydrophobicContact CB-CB 3.86Å; A198-I229 HydrophobicContact CB-CG2 3.69Å; A198-I229 PolarHBondContact N-O 3Å |
| 199 | N | 84.4 | Confident | 78.1 | Confident | 69 Ų | 69 | 59.2 Ų | 59.2 | 37% | 0.369 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 5.7 | 175.4 | 67.6 | 4.5 | 0 | 0 | 0 | 114.1 | R197 R201 G323 | R197-N199 WeakPolarHBondContact CB-OD1 3.16Å; R197-N199 PolarHBondContact O-N 3.26Å; N199-R201 VanDerWaalsContact C-N 3.28Å; N199-R201 PolarHBondContact O-N 3.05Å; N199-R201 WeakPolarHBondContact OD1-CB 3.21Å; N199-R201 PolarHBondContact OD1-N 2.78Å; N199-R201 VanDerWaalsContact OD1-N 3.1Å; N199-G323 PolarHBondContact ND2-O 2.77Å |
| 200 | G | 83.6 | Confident | 76.8 | Confident | 70 Ų | 70 | 58.9 Ų | 58.9 | 72% | 0.722 | 38% | 0.383 | S | S | * | . | S | Bend | trans | 78 | 1.6 | 178 | 0 | 0 | 0 | 0 | 0 | 115.5 | R197 A198 | R197-G200 PolarHBondContact O-N 2.84Å; A198-G200 VanDerWaalsContact C-N 3.28Å; A198-G200 PolarHBondContact O-N 2.88Å |
| 201 | R | 79.5 | Confident | 75.6 | Confident | 67 Ų | 67 | 59.9 Ų | 59.9 | 25% | 0.253 | 37% | 0.372 | S | S | . | . | trans | -68.8 | 151 | 175.1 | -76.9 | -170.8 | 170.1 | -168.6 | 4.1 | 111.8 | R197 N199 A322 G323 | R197-R201 HydrophobicContact CB-CB 4.46Å; N199-R201 VanDerWaalsContact C-N 3.28Å; N199-R201 PolarHBondContact O-N 3.05Å; N199-R201 WeakPolarHBondContact OD1-CB 3.21Å; N199-R201 PolarHBondContact OD1-N 2.78Å; N199-R201 VanDerWaalsContact OD1-N 3.1Å; R201-A322 PolarHBondContact NH2-O 3.36Å; R201-G323 WeakPolarHBondContact CD-O 3.31Å; R201-G323 VanDerWaalsContact NE-C 3.28Å; R201-G323 PolarHBondContact NE-O 2.85Å; R201-G323 PolarHBondContact NH1-O 3.17Å | ||
| 202 | P | 79 | Confident | 74.2 | Confident | 83 Ų | 83 | 62.9 Ų | 62.9 | 54% | 0.539 | 39% | 0.386 | S | S | . | . | trans | -59.3 | 145 | 171.3 | 27.2 | -34.4 | 0 | 0 | 0 | 109.8 | ||||
| 203 | L | 77.9 | Confident | 73.1 | Confident | 21 Ų | 21 | 62.6 Ų | 62.6 | 11% | 0.11 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -61 | -52.9 | 174.3 | -79.1 | 176.5 | 0 | 0 | 0 | 110.3 | W195 R197 Q210 I212 L217 Y230 | W195-L203 HydrophobicContact CB-CD1 3.69Å; W195-L203 HydrophobicContact CB-CD2 4.47Å; W195-L203 WeakPolarHBondContact O-CD1 3.45Å; R197-L203 HydrophobicContact CG-CD2 4.06Å; L203-Q210 PolarHBondContact O-NE2 2.93Å; L203-Q210 PolarHBondContact O-OE1 3.1Å; L203-I212 HydrophobicContact CD1-CD1 3.48Å; L203-I212 VanDerWaalsContact CD1-CD1 3.48Å; L203-I212 HydrophobicContact CD1-CG1 4.35Å; L203-L217 HydrophobicContact CD2-CD2 4.18Å; L203-Y230 HydrophobicContact CD2-CD1 3.8Å; L203-Y230 HydrophobicContact CD2-CE1 3.79Å |
| 204 | S | 66.7 | Low | 72.3 | Confident | 61 Ų | 61 | 67.7 Ų | 67.7 | 43% | 0.427 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 121.4 | 175.6 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | ||
| 205 | L | 55.3 | Low | 72 | Confident | 53 Ų | 53 | 66.9 Ų | 66.9 | 28% | 0.277 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 148.4 | 156.9 | -64.2 | 171.9 | 0 | 0 | 0 | 108.6 | G207 S208 | L205-G207 PolarHBondContact O-N 3.46Å; L205-G207 VanDerWaalsContact O-N 3.11Å; L205-S208 PolarHBondContact O-N 2.79Å; L205-S208 VanDerWaalsContact O-N 3.09Å |
| 206 | P | 50 | Low | 72 | Confident | 135 Ų | 135 | 68 Ų | 68 | 88% | 0.877 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 121 | 175.6 | -22.3 | 31.7 | 0 | 0 | 0 | 110.5 | ||
| 207 | G | 51.3 | Low | 72.1 | Confident | 83 Ų | 83 | 65.6 Ų | 65.6 | 86% | 0.856 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.6 | -9.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | L205 P209 | L205-G207 PolarHBondContact O-N 3.46Å; L205-G207 VanDerWaalsContact O-N 3.11Å; G207-P209 WeakPolarHBondContact O-CD 3.21Å |
| 208 | S | 53.9 | Low | 72.2 | Confident | 25 Ų | 25 | 67.7 Ų | 67.7 | 18% | 0.175 | 40% | 0.403 | C | S | . | . | trans | -105.7 | 102.9 | 171.1 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | L205 Q210 | L205-S208 PolarHBondContact O-N 2.79Å; L205-S208 VanDerWaalsContact O-N 3.09Å; S208-Q210 PolarHBondContact O-N 2.67Å | ||
| 209 | P | 53.8 | Low | 72.3 | Confident | 84 Ų | 84 | 65.9 Ų | 65.9 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | trans | -75 | 74.5 | 178.7 | 31.5 | -33.9 | 0 | 0 | 0 | 109.4 | G207 R211 P220 | G207-P209 WeakPolarHBondContact O-CD 3.21Å; P209-R211 PolarHBondContact O-N 3.18Å; P209-P220 WeakPolarHBondContact O-CD 3.34Å | ||
| 210 | Q | 60.8 | Low | 72.6 | Confident | 19 Ų | 19 | 65.1 Ų | 65.1 | 9% | 0.089 | 39% | 0.387 | C | S | . | . | trans | -64.9 | 132.1 | 167.6 | -63 | -170.9 | -5.1 | 0 | 0 | 108.6 | L203 S208 L217 H218 I219 D226 | L203-Q210 PolarHBondContact O-NE2 2.93Å; L203-Q210 PolarHBondContact O-OE1 3.1Å; S208-Q210 PolarHBondContact O-N 2.67Å; Q210-L217 HydrophobicContact CB-CD1 4.42Å; Q210-H218 WeakPolarHBondContact CA-O 3.32Å; Q210-I219 HydrophobicContact CG-CG1 4.06Å; Q210-I219 HydrophobicContact CG-CG2 4.48Å; Q210-D226 PolarHBondContact NE2-OD1 3.23Å | ||
| 211 | R | 65.7 | Low | 72.9 | Confident | 133 Ų | 133 | 70.9 Ų | 70.9 | 50% | 0.502 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 115.3 | 179.6 | -55.1 | -167.7 | -175.7 | 175.4 | -2 | 108.5 | P209 Y213 H218 | P209-R211 PolarHBondContact O-N 3.18Å; R211-Y213 HydrophobicContact CB-CD2 3.88Å; R211-Y213 HydrophobicContact CB-CE2 3.35Å; R211-Y213 WeakPolarHBondContact CD-OH 3.35Å; R211-Y213 HydrophobicContact CG-CE2 4.18Å; R211-Y213 PolarHBondContact NH1-OH 2.85Å; R211-H218 PolarHBondContact N-O 2.79Å; R211-H218 PolarHBondContact O-N 2.88Å |
| 212 | I | 64.4 | Low | 73.5 | Confident | 87 Ų | 87 | 67.7 Ų | 67.7 | 45% | 0.446 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 111.2 | 171.1 | -54.8 | 172.9 | 0 | 0 | 0 | 106.6 | L203 T216 L217 | L203-I212 HydrophobicContact CD1-CD1 3.48Å; L203-I212 VanDerWaalsContact CD1-CD1 3.48Å; L203-I212 HydrophobicContact CD1-CG1 4.35Å; I212-T216 WeakPolarHBondContact CA-O 3.3Å; I212-L217 HydrophobicContact CG1-CD1 4.12Å |
| 213 | Y | 68.9 | Low | 74.1 | Confident | 132 Ų | 132 | 66.9 Ų | 66.9 | 52% | 0.518 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 96.5 | 173.2 | -65.3 | -75.4 | 0 | 0 | 0 | 108.6 | R211 S215 T216 | R211-Y213 HydrophobicContact CB-CD2 3.88Å; R211-Y213 HydrophobicContact CB-CE2 3.35Å; R211-Y213 WeakPolarHBondContact CD-OH 3.35Å; R211-Y213 HydrophobicContact CG-CE2 4.18Å; R211-Y213 PolarHBondContact NH1-OH 2.85Å; Y213-S215 PolarHBondContact O-N 2.88Å; Y213-T216 PolarHBondContact N-O 3.33Å; Y213-T216 PolarHBondContact O-N 3.29Å |
| 214 | N | 73.1 | Confident | 74.7 | Confident | 143 Ų | 143 | 67.4 Ų | 67.4 | 77% | 0.765 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | -99.8 | -179.7 | -59.6 | -19.8 | 0 | 0 | 0 | 112 | ||
| 215 | S | 85.9 | Confident | 75.7 | Confident | 37 Ų | 37 | 69.3 Ų | 69.3 | 26% | 0.259 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -13.4 | 179.7 | 42.6 | 0 | 0 | 0 | 0 | 115.3 | C183 W195 Y213 | C183-S215 PolarHBondContact N-O 3.44Å; C183-S215 WeakPolarHBondContact O-CB 3.2Å; W195-S215 PolarHBondContact NE1-O 2.73Å; Y213-S215 PolarHBondContact O-N 2.88Å |
| 216 | T | 90.6 | Very high | 77.3 | Confident | 32 Ų | 32 | 67 Ų | 67 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 123.3 | -164.8 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | T180 L181 V182 I212 Y213 | T180-T216 HydrophobicContact CG2-CG2 3.53Å; L181-T216 CarbonylContact O-C 3.54Å; L181-T216 VanDerWaalsContact O-CA 3.32Å; L181-T216 WeakPolarHBondContact O-CA 3.17Å; V182-T216 HydrophobicContact CG2-CG2 4.08Å; I212-T216 WeakPolarHBondContact CA-O 3.3Å; Y213-T216 PolarHBondContact N-O 3.33Å; Y213-T216 PolarHBondContact O-N 3.29Å |
| 217 | L | 91.3 | Very high | 79.2 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 118.1 | 167.1 | 174.8 | 62.4 | 0 | 0 | 0 | 108.6 | T180 L181 W195 L203 Q210 I212 Y230 | T180-L217 WeakPolarHBondContact CA-O 3.24Å; L181-L217 HydrophobicContact CB-CB 4.38Å; L181-L217 HydrophobicContact CD1-CD2 4.35Å; L181-L217 PolarHBondContact N-O 3.02Å; L181-L217 PolarHBondContact O-N 3.47Å; W195-L217 HydrophobicContact CB-CD2 4.49Å; W195-L217 HydrophobicContact CD2-CB 4Å; W195-L217 HydrophobicContact CD2-CD2 4.29Å; W195-L217 HydrophobicContact CE3-CD2 4.33Å; W195-L217 HydrophobicContact CG-CB 4Å; W195-L217 HydrophobicContact CG-CD2 4.39Å; W195-L217 HydrophobicContact CZ2-CB 4.46Å; L203-L217 HydrophobicContact CD2-CD2 4.18Å; Q210-L217 HydrophobicContact CB-CD1 4.42Å; I212-L217 HydrophobicContact CG1-CD1 4.12Å; L217-Y230 HydrophobicContact CD2-CD1 3.47Å; L217-Y230 VanDerWaalsContact CD2-CD1 3.47Å; L217-Y230 HydrophobicContact CD2-CE1 3.67Å; L217-Y230 HydrophobicContact CD2-CG 4.43Å |
| 218 | H | 91.6 | Very high | 81 | Confident | 49 Ų | 49 | 58.2 Ų | 58.2 | 23% | 0.227 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127.2 | 177.2 | -177.7 | 63.5 | 0 | 0 | 0 | 111.4 | L179 T180 Q210 R211 | L179-H218 WeakPolarHBondContact O-CA 3.32Å; L179-H218 PolarHBondContact O-ND1 3.03Å; T180-H218 PolarHBondContact OG1-ND1 2.96Å; Q210-H218 WeakPolarHBondContact CA-O 3.32Å; R211-H218 PolarHBondContact N-O 2.79Å; R211-H218 PolarHBondContact O-N 2.88Å |
| 219 | I | 90.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 106.7 | 173 | -48.5 | -174.1 | 0 | 0 | 0 | 106.9 | S178 L179 Q210 R221 V222 D226 | S178-I219 CarbonylContact C-O 3.6Å; S178-I219 VanDerWaalsContact CA-O 3.32Å; S178-I219 WeakPolarHBondContact CA-O 3.42Å; L179-I219 HydrophobicContact CB-CB 4.28Å; L179-I219 HydrophobicContact CD2-CD1 4.08Å; L179-I219 PolarHBondContact N-O 3.44Å; L179-I219 PolarHBondContact O-N 2.86Å; Q210-I219 HydrophobicContact CG-CG1 4.06Å; Q210-I219 HydrophobicContact CG-CG2 4.48Å; I219-R221 VanDerWaalsContact C-N 3.33Å; I219-R221 PolarHBondContact O-N 3.44Å; I219-V222 HydrophobicContact CB-CG2 4.24Å; I219-V222 HydrophobicContact CG2-CG2 4.08Å; I219-D226 HydrophobicContact CD1-CB 4.26Å |
| 220 | P | 90.3 | Very high | 84.7 | Confident | 52 Ų | 52 | 56.1 Ų | 56.1 | 34% | 0.338 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -65.8 | -34.1 | -175 | -23.7 | 33.4 | 0 | 0 | 0 | 114 | S178 P209 | S178-P220 WeakPolarHBondContact CB-O 3.43Å; P209-P220 WeakPolarHBondContact O-CD 3.34Å |
| 221 | R | 91.4 | Very high | 86.3 | Confident | 191 Ų | 191 | 57.8 Ų | 57.8 | 72% | 0.721 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -137.7 | 109.5 | 176.2 | -176.8 | -178.8 | -70 | -157 | -1.5 | 108.2 | D177 I219 | D177-R221 CarbonylContact O-C 3.58Å; D177-R221 WeakPolarHBondContact O-CA 3.45Å; I219-R221 VanDerWaalsContact C-N 3.33Å; I219-R221 PolarHBondContact O-N 3.44Å |
| 222 | V | 91.9 | Very high | 87.6 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | trans | -74.8 | 136.4 | 179.3 | 173.9 | 0 | 0 | 0 | 0 | 109.9 | V173 G176 D177 L179 I219 D226 V250 | V173-V222 HydrophobicContact CG1-CB 4.47Å; V173-V222 HydrophobicContact CG1-CG1 3.89Å; V173-V222 HydrophobicContact CG1-CG2 4.19Å; V173-V222 HydrophobicContact CG2-CB 4.42Å; V173-V222 HydrophobicContact CG2-CG2 4.04Å; G176-V222 PolarHBondContact N-O 2.87Å; D177-V222 WeakPolarHBondContact O-CB 3.45Å; D177-V222 WeakPolarHBondContact O-CG2 3.33Å; D177-V222 PolarHBondContact O-N 2.85Å; L179-V222 HydrophobicContact CB-CG2 3.54Å; I219-V222 HydrophobicContact CB-CG2 4.24Å; I219-V222 HydrophobicContact CG2-CG2 4.08Å; V222-D226 HydrophobicContact CG1-CB 4.18Å; V222-V250 HydrophobicContact CG1-CB 4.27Å; V222-V250 HydrophobicContact CG1-CG1 3.67Å; V222-V250 HydrophobicContact CG1-CG2 3.54Å | ||
| 223 | D | 90.6 | Very high | 88.9 | Confident | 66 Ų | 66 | 50 Ų | 50 | 35% | 0.353 | 23% | 0.23 | S | C | . | . | trans | -112.5 | 157.7 | 172.5 | -170.1 | 4 | 0 | 0 | 0 | 110.2 | Y225 D226 | D223-Y225 PolarHBondContact O-N 3.5Å; D223-Y225 WeakPolarHBondContact OD2-CD2 3.45Å; D223-D226 PolarHBondContact N-OD2 2.86Å; D223-D226 VanDerWaalsContact O-CB 3.29Å; D223-D226 WeakPolarHBondContact O-CB 3.48Å; D223-D226 PolarHBondContact O-N 2.98Å | ||
| 224 | R | 89.8 | Confident | 90.1 | Very high | 31 Ų | 31 | 43.7 Ų | 43.7 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -55 | -28.1 | 176.8 | 65.3 | -171.8 | 65.8 | -159 | -4.4 | 113.6 | E175 D226 R227 Y252 N282 V326 | E175-R224 WeakPolarHBondContact OE1-CB 3.37Å; E175-R224 IonicContact OE1-CZ 3.51Å; E175-R224 PolarHBondContact OE1-N 3.5Å; E175-R224 IonicContact OE1-NE 2.68Å; E175-R224 PolarHBondContact OE1-NE 2.95Å; E175-R224 IonicContact OE1-NH2 3.1Å; E175-R224 PolarHBondContact OE1-NH2 2.89Å; E175-R224 IonicContact OE2-CZ 2.85Å; E175-R224 IonicContact OE2-NE 2.85Å; E175-R224 IonicContact OE2-NH2 2.74Å; E175-R224 PolarHBondContact OE2-NH2 2.96Å; R224-D226 VanDerWaalsContact C-N 3.25Å; R224-D226 PolarHBondContact O-N 2.82Å; R224-R227 VanDerWaalsContact O-CB 3.25Å; R224-R227 WeakPolarHBondContact O-CB 3.41Å; R224-R227 PolarHBondContact O-N 2.93Å; R224-Y252 HydrophobicContact CB-CD1 3.69Å; R224-Y252 HydrophobicContact CB-CD2 4.28Å; R224-Y252 HydrophobicContact CB-CE1 3.66Å; R224-Y252 HydrophobicContact CB-CE2 4.2Å; R224-Y252 HydrophobicContact CB-CG 4.02Å; R224-Y252 VanDerWaalsContact NH1-CD2 3.32Å; R224-N282 WeakPolarHBondContact CD-OD1 3.12Å; R224-N282 PolarHBondContact NH1-OD1 3.11Å; R224-V326 HydrophobicContact CG-CG2 4.38Å; R224-V326 WeakPolarHBondContact O-CG2 3.48Å |
| 225 | Y | 87.6 | Confident | 91.1 | Very high | 102 Ų | 102 | 39.5 Ų | 39.5 | 40% | 0.4 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -75.9 | -8.9 | 176.4 | -55.4 | -68.9 | 0 | 0 | 0 | 113.9 | R197 D223 R227 T324 V326 | R197-Y225 PolarHBondContact NH1-O 2.92Å; R197-Y225 PolarHBondContact NH2-O 2.81Å; D223-Y225 PolarHBondContact O-N 3.5Å; D223-Y225 WeakPolarHBondContact OD2-CD2 3.45Å; Y225-R227 VanDerWaalsContact C-N 3.28Å; Y225-T324 HydrophobicContact CD1-CG2 3.89Å; Y225-T324 HydrophobicContact CE1-CG2 4.44Å; Y225-V326 HydrophobicContact CD1-CG2 3.71Å; Y225-V326 HydrophobicContact CE1-CG2 4.09Å |
| 226 | D | 89 | Confident | 91.3 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -79.8 | -9.5 | 169.2 | -66.2 | -43 | 0 | 0 | 0 | 112.9 | R197 Q210 I219 V222 D223 R224 G228 Y230 | R197-D226 IonicContact NH2-OD1 2.81Å; R197-D226 PolarHBondContact NH2-OD1 3.42Å; Q210-D226 PolarHBondContact NE2-OD1 3.23Å; I219-D226 HydrophobicContact CD1-CB 4.26Å; V222-D226 HydrophobicContact CG1-CB 4.18Å; D223-D226 PolarHBondContact N-OD2 2.86Å; D223-D226 VanDerWaalsContact O-CB 3.29Å; D223-D226 WeakPolarHBondContact O-CB 3.48Å; D223-D226 PolarHBondContact O-N 2.98Å; R224-D226 VanDerWaalsContact C-N 3.25Å; R224-D226 PolarHBondContact O-N 2.82Å; D226-G228 PolarHBondContact O-N 2.86Å; D226-Y230 VanDerWaalsContact O-CE2 3.3Å; D226-Y230 WeakPolarHBondContact O-CE2 3.18Å; D226-Y230 PolarHBondContact O-OH 2.96Å; D226-Y230 VanDerWaalsContact O-OH 3.05Å |
| 227 | R | 90 | Very high | 91 | Very high | 31 Ų | 31 | 42.7 Ų | 42.7 | 12% | 0.117 | 20% | 0.198 | C | C | . | . | trans | -58.2 | 125.8 | 171 | -171.6 | -176.5 | -177.9 | -146.5 | 4.2 | 110.3 | R224 Y225 V248 E249 V250 N325 | R224-R227 VanDerWaalsContact O-CB 3.25Å; R224-R227 WeakPolarHBondContact O-CB 3.41Å; R224-R227 PolarHBondContact O-N 2.93Å; Y225-R227 VanDerWaalsContact C-N 3.28Å; R227-V248 WeakPolarHBondContact CA-O 3.46Å; R227-E249 IonicContact CZ-OE2 3.59Å; R227-E249 VanDerWaalsContact CZ-OE2 3.27Å; R227-E249 IonicContact NE-OE2 3.51Å; R227-E249 PolarHBondContact NE-OE2 3.19Å; R227-E249 IonicContact NH2-OE1 3.39Å; R227-E249 IonicContact NH2-OE2 2.74Å; R227-E249 PolarHBondContact NH2-OE2 2.87Å; R227-V250 HydrophobicContact CB-CB 4.19Å; R227-V250 HydrophobicContact CB-CG2 3.98Å; R227-N325 HydrophobicContact CB-CB 4.34Å; R227-N325 HydrophobicContact CG-CB 3.95Å; R227-N325 PolarHBondContact NH1-O 3.25Å | ||
| 228 | G | 90.7 | Very high | 90.6 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.3 | 168.1 | -170 | 0 | 0 | 0 | 0 | 0 | 115.7 | D226 V248 N325 | D226-G228 PolarHBondContact O-N 2.86Å; G228-V248 PolarHBondContact N-O 2.79Å; G228-V248 PolarHBondContact O-N 3.38Å; G228-N325 WeakPolarHBondContact CA-ND2 3.39Å |
| 229 | I | 92.5 | Very high | 89.8 | Confident | 66 Ų | 66 | 45.1 Ų | 45.1 | 34% | 0.338 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 122 | 165.1 | -58.2 | 173 | 0 | 0 | 0 | 108 | A198 D245 V246 M247 | A198-I229 HydrophobicContact CB-CB 3.86Å; A198-I229 HydrophobicContact CB-CG2 3.69Å; A198-I229 PolarHBondContact N-O 3Å; I229-D245 HydrophobicContact CG2-CB 3.77Å; I229-V246 WeakPolarHBondContact CA-O 3.4Å; I229-M247 HydrophobicContact CD1-CE 3.89Å; I229-M247 HydrophobicContact CG1-CE 3.44Å; I229-M247 VanDerWaalsContact CG1-CE 3.44Å; I229-M247 HydrophobicContact CG1-SD 3.76Å |
| 230 | Y | 92.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 140.3 | 172.7 | -70.6 | -103.5 | 0 | 0 | 0 | 108.9 | L181 R197 L203 L217 D226 D245 V246 V248 | L181-Y230 HydrophobicContact CD1-CG 4.34Å; R197-Y230 HydrophobicContact CG-CD1 4.41Å; R197-Y230 HydrophobicContact CG-CE1 4.22Å; R197-Y230 PolarHBondContact NH2-OH 3.06Å; L203-Y230 HydrophobicContact CD2-CD1 3.8Å; L203-Y230 HydrophobicContact CD2-CE1 3.79Å; L217-Y230 HydrophobicContact CD2-CD1 3.47Å; L217-Y230 VanDerWaalsContact CD2-CD1 3.47Å; L217-Y230 HydrophobicContact CD2-CE1 3.67Å; L217-Y230 HydrophobicContact CD2-CG 4.43Å; D226-Y230 VanDerWaalsContact O-CE2 3.3Å; D226-Y230 WeakPolarHBondContact O-CE2 3.18Å; D226-Y230 PolarHBondContact O-OH 2.96Å; D226-Y230 VanDerWaalsContact O-OH 3.05Å; Y230-D245 WeakPolarHBondContact O-CA 3.34Å; Y230-V246 PolarHBondContact N-O 2.97Å; Y230-V246 WeakPolarHBondContact O-CG1 3.45Å; Y230-V246 PolarHBondContact O-N 3.11Å; Y230-V248 HydrophobicContact CD2-CB 3.97Å; Y230-V248 HydrophobicContact CD2-CG2 3.48Å; Y230-V248 VanDerWaalsContact CD2-CG2 3.48Å; Y230-V248 HydrophobicContact CE2-CB 3.82Å; Y230-V248 HydrophobicContact CE2-CG1 4.42Å; Y230-V248 HydrophobicContact CE2-CG2 3.69Å; Y230-V248 HydrophobicContact CG-CG2 4.43Å |
| 231 | R | 93.3 | Very high | 89.4 | Confident | 53 Ų | 53 | 48.8 Ų | 48.8 | 20% | 0.2 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 123.2 | 179.2 | -173.1 | 167.8 | -68.2 | 163.2 | 0.1 | 109.9 | W195 T196 Y233 E243 Y244 D245 | W195-R231 WeakPolarHBondContact CA-O 3Å; T196-R231 PolarHBondContact N-O 3.09Å; T196-R231 PolarHBondContact O-N 2.81Å; R231-Y233 HydrophobicContact CB-CE2 4.14Å; R231-Y233 WeakPolarHBondContact CD-OH 3.47Å; R231-Y233 HydrophobicContact CG-CD2 3.97Å; R231-Y233 HydrophobicContact CG-CE2 3.54Å; R231-Y233 PolarHBondContact NH1-OH 2.78Å; R231-E243 HydrophobicContact CG-CB 4.19Å; R231-Y244 WeakPolarHBondContact CA-O 3.3Å; R231-D245 WeakPolarHBondContact CB-OD1 3.43Å; R231-D245 WeakPolarHBondContact CD-OD1 3.26Å; R231-D245 WeakPolarHBondContact CG-OD1 3.41Å; R231-D245 IonicContact CZ-OD1 3.64Å; R231-D245 IonicContact CZ-OD2 3.47Å; R231-D245 IonicContact NE-OD1 2.61Å; R231-D245 PolarHBondContact NE-OD1 2.87Å; R231-D245 IonicContact NE-OD2 3.4Å; R231-D245 PolarHBondContact NE-OD2 2.85Å; R231-D245 IonicContact NH2-OD1 3.22Å; R231-D245 IonicContact NH2-OD2 3.44Å; R231-D245 PolarHBondContact NH2-OD2 3.44Å |
| 232 | C | 93.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 133.6 | 165.8 | 175.3 | 0 | 0 | 0 | 0 | 109.2 | I164 L168 C183 W195 E243 Y244 | I164-C232 HydrophobicContact CD1-CB 4.4Å; L168-C232 HydrophobicContact CD2-CB 4.04Å; C183-C232 HydrophobicContact CB-CB 3.68Å; C183-C232 WeakPolarHBondContact CB-SG 3.35Å; C183-C232 WeakPolarHBondContact SG-CB 2.96Å; C183-C232 CovalentContact SG-SG 2.02Å; C183-C232 PolarHBondContact SG-SG 2.8Å; W195-C232 HydrophobicContact CD2-CB 4.41Å; W195-C232 HydrophobicContact CE3-CB 4.11Å; W195-C232 HydrophobicContact CH2-CB 4.02Å; W195-C232 HydrophobicContact CZ2-CB 4.32Å; W195-C232 HydrophobicContact CZ3-CB 3.89Å; C232-E243 CarbonylContact O-C 3.48Å; C232-E243 WeakPolarHBondContact O-CA 3.17Å; C232-Y244 PolarHBondContact N-O 2.92Å; C232-Y244 PolarHBondContact O-N 3.21Å |
| 233 | Y | 92.9 | Very high | 89.7 | Confident | 56 Ų | 56 | 45.4 Ų | 45.4 | 22% | 0.22 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 135.5 | 173 | -82.3 | -77.4 | 0 | 0 | 0 | 110.2 | I193 S194 T196 R231 E243 | I193-Y233 CarbonylContact C-O 3.54Å; I193-Y233 VanDerWaalsContact CA-O 3.26Å; I193-Y233 WeakPolarHBondContact CA-O 3.4Å; S194-Y233 PolarHBondContact N-O 2.02Å; S194-Y233 PolarHBondContact O-N 2.84Å; S194-Y233 WeakPolarHBondContact OG-CB 3.43Å; T196-Y233 HydrophobicContact CG2-CD2 4.11Å; T196-Y233 HydrophobicContact CG2-CE2 4.19Å; T196-Y233 WeakPolarHBondContact OG1-CE2 3.3Å; R231-Y233 HydrophobicContact CB-CE2 4.14Å; R231-Y233 WeakPolarHBondContact CD-OH 3.47Å; R231-Y233 HydrophobicContact CG-CD2 3.97Å; R231-Y233 HydrophobicContact CG-CE2 3.54Å; R231-Y233 PolarHBondContact NH1-OH 2.78Å; Y233-E243 HydrophobicContact CD1-CB 3.94Å; Y233-E243 HydrophobicContact CE1-CB 3.79Å; Y233-E243 WeakPolarHBondContact CE1-OE2 3.46Å; Y233-E243 PolarHBondContact OH-OE2 3.04Å |
| 234 | A | 93.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 120.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P162 I164 A185 P191 M192 A242 | P162-A234 HydrophobicContact CB-CB 4.01Å; P162-A234 WeakPolarHBondContact CB-O 3.26Å; I164-A234 HydrophobicContact CD1-CB 4.45Å; I164-A234 HydrophobicContact CG1-CB 4Å; A185-A234 HydrophobicContact CB-CB 3.53Å; P191-A234 HydrophobicContact CB-CB 4.29Å; M192-A234 WeakPolarHBondContact O-CA 3.32Å; A234-A242 HydrophobicContact CB-CB 4.4Å; A234-A242 PolarHBondContact N-O 2.81Å; A234-A242 PolarHBondContact O-N 2.89Å |
| 235 | V | 92.8 | Very high | 90.2 | Very high | 56 Ų | 56 | 49.4 Ų | 49.4 | 34% | 0.339 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.2 | -175.7 | -59.4 | 0 | 0 | 0 | 0 | 111.4 | P191 M192 | P191-V235 CarbonylContact C-O 3.55Å; P191-V235 VanDerWaalsContact CA-O 3.29Å; P191-V235 WeakPolarHBondContact CA-O 3.44Å; M192-V235 HydrophobicContact CB-CG2 4.32Å; M192-V235 PolarHBondContact N-O 3.06Å; M192-V235 PolarHBondContact O-N 2.88Å |
| 236 | N | 90.5 | Very high | 90.6 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 13% | 0.134 | 25% | 0.251 | C | S | . | . | trans | -133.5 | -176.1 | 165.6 | 67.2 | 9 | 0 | 0 | 0 | 109.4 | R160 P162 P189 V238 | R160-N236 PolarHBondContact O-ND2 3.11Å; P162-N236 WeakPolarHBondContact CD-OD1 3.43Å; P162-N236 HydrophobicContact CG-CB 4.24Å; P189-N236 WeakPolarHBondContact O-CB 3.29Å; P189-N236 PolarHBondContact O-ND2 2.86Å; N236-V238 PolarHBondContact O-N 2.92Å; N236-V238 WeakPolarHBondContact OD1-CB 2.94Å; N236-V238 WeakPolarHBondContact OD1-CG2 3.42Å; N236-V238 PolarHBondContact OD1-N 2.85Å | ||
| 237 | N | 85.5 | Confident | 90.8 | Very high | 111 Ų | 111 | 47.1 Ų | 47.1 | 59% | 0.594 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -80.6 | 16.5 | 180 | 68.7 | -2.7 | 0 | 0 | 0 | 113.9 | P189 | P189-N237 WeakPolarHBondContact CD-OD1 3.17Å; P189-N237 VanDerWaalsContact CG-OD1 3.3Å; P189-N237 WeakPolarHBondContact CG-OD1 3.44Å |
| 238 | V | 82.5 | Confident | 91 | Very high | 18 Ų | 18 | 45.6 Ų | 45.6 | 11% | 0.109 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -98.9 | 152.3 | 173.8 | -170.1 | 0 | 0 | 0 | 0 | 108 | K159 S188 N236 G240 | K159-V238 HydrophobicContact CB-CB 4.46Å; K159-V238 HydrophobicContact CB-CG1 3.94Å; K159-V238 HydrophobicContact CB-CG2 3.62Å; K159-V238 HydrophobicContact CD-CG2 4.03Å; K159-V238 HydrophobicContact CG-CG2 3.81Å; S188-V238 WeakPolarHBondContact O-CG2 3.07Å; N236-V238 PolarHBondContact O-N 2.92Å; N236-V238 WeakPolarHBondContact OD1-CB 2.94Å; N236-V238 WeakPolarHBondContact OD1-CG2 3.42Å; N236-V238 PolarHBondContact OD1-N 2.85Å; V238-G240 PolarHBondContact O-N 2.83Å |
| 239 | A | 74.8 | Confident | 91.1 | Very high | 83 Ų | 83 | 47.1 Ų | 47.1 | 69% | 0.686 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -58.7 | 125.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 240 | G | 81.3 | Confident | 91.2 | Very high | 48 Ų | 48 | 44 Ų | 44 | 50% | 0.495 | 25% | 0.248 | S | C | . | . | trans | 119.1 | 147.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P162 V238 | P162-G240 WeakPolarHBondContact CD-O 3.2Å; V238-G240 PolarHBondContact O-N 2.83Å | ||
| 241 | S | 91.4 | Very high | 91.4 | Very high | 80 Ų | 80 | 44.4 Ų | 44.4 | 56% | 0.559 | 25% | 0.25 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 146.2 | 172.9 | 55.4 | 0 | 0 | 0 | 0 | 108.6 | ||
| 242 | A | 94.6 | Very high | 91.5 | Very high | 17 Ų | 17 | 42 Ų | 42 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 140.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | P162 I164 A234 | P162-A242 HydrophobicContact CB-CB 4.35Å; P162-A242 WeakPolarHBondContact O-CB 3.45Å; I164-A242 HydrophobicContact CD1-CB 4.11Å; I164-A242 HydrophobicContact CG1-CB 3.88Å; A234-A242 HydrophobicContact CB-CB 4.4Å; A234-A242 PolarHBondContact N-O 2.81Å; A234-A242 PolarHBondContact O-N 2.89Å |
| 243 | E | 94.5 | Very high | 91.7 | Very high | 104 Ų | 104 | 43.8 Ų | 43.8 | 49% | 0.486 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 149.4 | 173.8 | 62.7 | 179 | -160.3 | 0 | 0 | 110.9 | I164 R231 C232 Y233 | I164-E243 VanDerWaalsContact CD1-C 3.48Å; R231-E243 HydrophobicContact CG-CB 4.19Å; C232-E243 CarbonylContact O-C 3.48Å; C232-E243 WeakPolarHBondContact O-CA 3.17Å; Y233-E243 HydrophobicContact CD1-CB 3.94Å; Y233-E243 HydrophobicContact CE1-CB 3.79Å; Y233-E243 WeakPolarHBondContact CE1-OE2 3.46Å; Y233-E243 PolarHBondContact OH-OE2 3.04Å |
| 244 | Y | 95.5 | Very high | 91.8 | Very high | 115 Ų | 115 | 41.4 Ų | 41.4 | 45% | 0.451 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 128 | 177.2 | -166.4 | -90 | 0 | 0 | 0 | 111 | I164 L168 R231 C232 | I164-Y244 HydrophobicContact CG2-CG 4.49Å; L168-Y244 HydrophobicContact CB-CD1 4.28Å; L168-Y244 HydrophobicContact CB-CE1 4.36Å; L168-Y244 HydrophobicContact CD2-CD1 3.81Å; L168-Y244 HydrophobicContact CG-CD1 4.1Å; L168-Y244 HydrophobicContact CG-CE1 4.35Å; L168-Y244 WeakPolarHBondContact O-CE1 3.44Å; R231-Y244 WeakPolarHBondContact CA-O 3.3Å; C232-Y244 PolarHBondContact N-O 2.92Å; C232-Y244 PolarHBondContact O-N 3.21Å |
| 245 | D | 95.2 | Very high | 91.9 | Very high | 66 Ų | 66 | 46.1 Ų | 46.1 | 35% | 0.353 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 135.3 | -179.5 | -78.7 | -9.6 | 0 | 0 | 0 | 111.7 | I229 Y230 R231 | I229-D245 HydrophobicContact CG2-CB 3.77Å; Y230-D245 WeakPolarHBondContact O-CA 3.34Å; R231-D245 WeakPolarHBondContact CB-OD1 3.43Å; R231-D245 WeakPolarHBondContact CD-OD1 3.26Å; R231-D245 WeakPolarHBondContact CG-OD1 3.41Å; R231-D245 IonicContact CZ-OD1 3.64Å; R231-D245 IonicContact CZ-OD2 3.47Å; R231-D245 IonicContact NE-OD1 2.61Å; R231-D245 PolarHBondContact NE-OD1 2.87Å; R231-D245 IonicContact NE-OD2 3.4Å; R231-D245 PolarHBondContact NE-OD2 2.85Å; R231-D245 IonicContact NH2-OD1 3.22Å; R231-D245 IonicContact NH2-OD2 3.44Å; R231-D245 PolarHBondContact NH2-OD2 3.44Å |
| 246 | V | 95.3 | Very high | 92 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 133 | 178.8 | 66.7 | 0 | 0 | 0 | 0 | 110.6 | L168 T169 L181 W195 I229 Y230 | L168-V246 HydrophobicContact CD1-CB 4.32Å; L168-V246 HydrophobicContact CD1-CG1 4.14Å; L168-V246 HydrophobicContact CD1-CG2 4.2Å; L168-V246 HydrophobicContact CD2-CB 4.32Å; L168-V246 HydrophobicContact CD2-CG1 4.2Å; L168-V246 HydrophobicContact CG-CB 4.06Å; L168-V246 HydrophobicContact CG-CG1 4.24Å; L168-V246 HydrophobicContact CG-CG2 4.24Å; T169-V246 VanDerWaalsContact O-CG2 3.24Å; T169-V246 WeakPolarHBondContact O-CG2 2.94Å; L181-V246 HydrophobicContact CD1-CG1 3.98Å; W195-V246 HydrophobicContact CH2-CG1 4.44Å; W195-V246 HydrophobicContact CZ3-CG1 4.03Å; I229-V246 WeakPolarHBondContact CA-O 3.4Å; Y230-V246 PolarHBondContact N-O 2.97Å; Y230-V246 WeakPolarHBondContact O-CG1 3.45Å; Y230-V246 PolarHBondContact O-N 3.11Å |
| 247 | M | 94.2 | Very high | 92.1 | Very high | 57 Ų | 57 | 47.5 Ų | 47.5 | 28% | 0.281 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 132.3 | 177.2 | -175.1 | 63.7 | 82 | 0 | 0 | 110.7 | S170 K171 I229 E249 | S170-M247 CarbonylContact C-O 3.57Å; S170-M247 WeakPolarHBondContact CA-O 3.29Å; S170-M247 VanDerWaalsContact CB-O 3.29Å; S170-M247 WeakPolarHBondContact CB-O 3.25Å; S170-M247 PolarHBondContact OG-N 2.91Å; K171-M247 PolarHBondContact N-O 2.78Å; I229-M247 HydrophobicContact CD1-CE 3.89Å; I229-M247 HydrophobicContact CG1-CE 3.44Å; I229-M247 VanDerWaalsContact CG1-CE 3.44Å; I229-M247 HydrophobicContact CG1-SD 3.76Å; M247-E249 HydrophobicContact CG-CG 4.17Å |
| 248 | V | 94.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 111.7 | 168.6 | 176.9 | 0 | 0 | 0 | 0 | 108 | K171 V173 L179 L181 R227 G228 Y230 V250 | K171-V248 WeakPolarHBondContact O-CA 3.25Å; V173-V248 HydrophobicContact CG1-CG1 4.22Å; L179-V248 HydrophobicContact CD2-CB 4.37Å; L179-V248 HydrophobicContact CD2-CG1 3.56Å; L179-V248 HydrophobicContact CD2-CG2 3.84Å; L181-V248 HydrophobicContact CD1-CG2 3.92Å; R227-V248 WeakPolarHBondContact CA-O 3.46Å; G228-V248 PolarHBondContact N-O 2.79Å; G228-V248 PolarHBondContact O-N 3.38Å; Y230-V248 HydrophobicContact CD2-CB 3.97Å; Y230-V248 HydrophobicContact CD2-CG2 3.48Å; Y230-V248 VanDerWaalsContact CD2-CG2 3.48Å; Y230-V248 HydrophobicContact CE2-CB 3.82Å; Y230-V248 HydrophobicContact CE2-CG1 4.42Å; Y230-V248 HydrophobicContact CE2-CG2 3.69Å; Y230-V248 HydrophobicContact CG-CG2 4.43Å; V248-V250 HydrophobicContact CG1-CG2 4.23Å |
| 249 | E | 93.1 | Very high | 92.3 | Very high | 34 Ų | 34 | 46.5 Ų | 46.5 | 16% | 0.159 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 133.4 | 170.4 | -69 | -64.7 | 165.5 | 0 | 0 | 109.7 | K171 I172 V173 R227 M247 Y284 | K171-E249 PolarHBondContact O-N 3.07Å; I172-E249 WeakPolarHBondContact CA-O 3.35Å; I172-E249 HydrophobicContact CG1-CB 4.12Å; V173-E249 WeakPolarHBondContact CG1-O 3.29Å; V173-E249 PolarHBondContact N-O 2.89Å; R227-E249 IonicContact CZ-OE2 3.59Å; R227-E249 VanDerWaalsContact CZ-OE2 3.27Å; R227-E249 IonicContact NE-OE2 3.51Å; R227-E249 PolarHBondContact NE-OE2 3.19Å; R227-E249 IonicContact NH2-OE1 3.39Å; R227-E249 IonicContact NH2-OE2 2.74Å; R227-E249 PolarHBondContact NH2-OE2 2.87Å; M247-E249 HydrophobicContact CG-CG 4.17Å; E249-Y284 HydrophobicContact CB-CE1 4.44Å |
| 250 | V | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 119.2 | 178 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | V173 E175 V222 R227 V248 Y252 Y284 | V173-V250 HydrophobicContact CG1-CG2 4.12Å; V173-V250 CarbonylContact O-C 3.5Å; V173-V250 WeakPolarHBondContact O-CA 3.22Å; E175-V250 HydrophobicContact CB-CG1 4.2Å; V222-V250 HydrophobicContact CG1-CB 4.27Å; V222-V250 HydrophobicContact CG1-CG1 3.67Å; V222-V250 HydrophobicContact CG1-CG2 3.54Å; R227-V250 HydrophobicContact CB-CB 4.19Å; R227-V250 HydrophobicContact CB-CG2 3.98Å; V248-V250 HydrophobicContact CG1-CG2 4.23Å; V250-Y252 HydrophobicContact CG1-CD1 4.39Å; V250-Y252 VanDerWaalsContact O-CD1 3.26Å; V250-Y252 WeakPolarHBondContact O-CD1 3.23Å; V250-Y252 WeakPolarHBondContact O-CE1 3.4Å; V250-Y284 WeakPolarHBondContact O-CD1 3.49Å |
| 251 | N | 96 | Very high | 92 | Very high | 9 Ų | 9 | 54 Ų | 54 | 5% | 0.048 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 136 | 174.1 | -66.7 | -49.6 | 0 | 0 | 0 | 110.8 | I172 V173 T174 E175 Y284 Y354 | I172-N251 WeakPolarHBondContact CG2-ND2 3.14Å; V173-N251 PolarHBondContact O-N 2.77Å; T174-N251 CarbonylContact C-O 3.57Å; T174-N251 WeakPolarHBondContact CA-O 3.42Å; T174-N251 HydrophobicContact CG2-CB 4.45Å; E175-N251 PolarHBondContact N-O 3.06Å; N251-Y284 WeakPolarHBondContact CA-O 3.48Å; N251-Y354 HydrophobicContact CB-CD2 4.01Å; N251-Y354 HydrophobicContact CB-CE1 4.09Å; N251-Y354 HydrophobicContact CB-CE2 3.36Å; N251-Y354 VanDerWaalsContact CB-CZ 3.41Å; N251-Y354 VanDerWaalsContact CG-OH 3.25Å; N251-Y354 PolarHBondContact ND2-OH 3.44Å |
| 252 | Y | 95.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 152.1 | 178.8 | 54 | -82.4 | 0 | 0 | 0 | 111.8 | E175 R224 V250 N282 Y284 N352 | E175-Y252 WeakPolarHBondContact OE2-CB 3.25Å; R224-Y252 HydrophobicContact CB-CD1 3.69Å; R224-Y252 HydrophobicContact CB-CD2 4.28Å; R224-Y252 HydrophobicContact CB-CE1 3.66Å; R224-Y252 HydrophobicContact CB-CE2 4.2Å; R224-Y252 HydrophobicContact CB-CG 4.02Å; R224-Y252 VanDerWaalsContact NH1-CD2 3.32Å; V250-Y252 HydrophobicContact CG1-CD1 4.39Å; V250-Y252 VanDerWaalsContact O-CD1 3.26Å; V250-Y252 WeakPolarHBondContact O-CD1 3.23Å; V250-Y252 WeakPolarHBondContact O-CE1 3.4Å; Y252-N282 VanDerWaalsContact CE2-OD1 3.25Å; Y252-N282 WeakPolarHBondContact CE2-OD1 3.3Å; Y252-N282 PolarHBondContact OH-ND2 3.41Å; Y252-Y284 VanDerWaalsContact CE1-CB 3.49Å; Y252-Y284 PolarHBondContact N-O 3.02Å; Y252-Y284 PolarHBondContact O-N 3.4Å; Y252-N352 PolarHBondContact O-ND2 2.9Å |
| 253 | A | 96.6 | Very high | 90.7 | Very high | 37 Ų | 37 | 58.5 Ų | 58.5 | 31% | 0.306 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 148.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | H255 | A253-H255 PolarHBondContact O-N 3.25Å |
| 254 | P | 96.2 | Very high | 90.1 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 4% | 0.039 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 137.9 | 179.3 | 27.8 | -33.9 | 0 | 0 | 0 | 110.7 | V281 N282 P287 A350 N352 G355 N357 | P254-V281 HydrophobicContact CB-CG1 4.23Å; P254-N282 CarbonylContact C-O 3.51Å; P254-N282 WeakPolarHBondContact CA-O 3.23Å; P254-P287 HydrophobicContact CB-CB 4.01Å; P254-P287 HydrophobicContact CB-CG 4.21Å; P254-P287 HydrophobicContact CG-CB 4.39Å; P254-A350 HydrophobicContact CB-CB 3.71Å; P254-A350 HydrophobicContact CG-CB 4.14Å; P254-A350 WeakPolarHBondContact CG-O 2.96Å; P254-N352 WeakPolarHBondContact CD-OD1 3.34Å; P254-G355 VanDerWaalsContact CD-O 3.28Å; P254-G355 WeakPolarHBondContact CD-O 3.39Å; P254-N357 WeakPolarHBondContact O-CB 3.33Å |
| 255 | H | 95 | Very high | 89.6 | Confident | 99 Ų | 99 | 50.4 Ų | 50.4 | 46% | 0.458 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 116.4 | 168.9 | -179.3 | -76.6 | 0 | 0 | 0 | 108.1 | A253 N282 | A253-H255 PolarHBondContact O-N 3.25Å; H255-N282 PolarHBondContact N-O 2.88Å; H255-N282 PolarHBondContact O-N 3.04Å |
| 256 | V | 94.9 | Very high | 89.1 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 4% | 0.036 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 134 | 179.2 | -168.8 | 0 | 0 | 0 | 0 | 109 | C279 V281 A350 N357 V359 | V256-C279 HydrophobicContact CG1-CB 4.14Å; V256-V281 HydrophobicContact CG1-CG2 4.09Å; V256-V281 HydrophobicContact CG2-CG1 4.4Å; V256-V281 HydrophobicContact CG2-CG2 4.15Å; V256-A350 HydrophobicContact CG2-CB 3.54Å; V256-N357 WeakPolarHBondContact CB-OD1 3.46Å; V256-N357 HydrophobicContact CG2-CB 4.09Å; V256-N357 WeakPolarHBondContact CG2-O 3.38Å; V256-N357 PolarHBondContact N-OD1 3.41Å; V256-V359 HydrophobicContact CB-CG1 3.98Å; V256-V359 HydrophobicContact CG1-CB 4.17Å; V256-V359 HydrophobicContact CG1-CG1 3.79Å; V256-V359 HydrophobicContact CG1-CG2 3.53Å; V256-V359 VanDerWaalsContact O-CG1 3.31Å; V256-V359 WeakPolarHBondContact O-CG1 3.46Å |
| 257 | R | 93.2 | Very high | 88.7 | Confident | 105 Ų | 105 | 47.4 Ų | 47.4 | 40% | 0.396 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 152.9 | 174.9 | 67.1 | -175.2 | -179.4 | -150.5 | -4.1 | 110.5 | I280 D328 | R257-I280 HydrophobicContact CG-CB 3.76Å; R257-I280 HydrophobicContact CG-CG2 4.37Å; R257-I280 PolarHBondContact N-O 2.98Å; R257-I280 PolarHBondContact O-N 2.75Å; R257-D328 IonicContact CZ-OD1 2.67Å; R257-D328 IonicContact CZ-OD2 3.57Å; R257-D328 IonicContact NH2-OD1 3.52Å; R257-D328 PolarHBondContact NH2-OD1 3.05Å; R257-D328 IonicContact NH2-OD2 2.79Å; R257-D328 PolarHBondContact NH2-OD2 2.87Å |
| 258 | E | 89.3 | Confident | 88.1 | Confident | 81 Ų | 81 | 45.2 Ų | 45.2 | 38% | 0.379 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 138.4 | 174.2 | -61.3 | 160.6 | 177.6 | 0 | 0 | 109.7 | K262 G263 V359 L361 | E258-K262 WeakPolarHBondContact OE2-CA 3.12Å; E258-G263 PolarHBondContact OE2-N 2.9Å; E258-G263 VanDerWaalsContact OE2-N 3.16Å; E258-V359 HydrophobicContact CG-CB 4.38Å; E258-L361 HydrophobicContact CB-CD2 4.35Å; E258-L361 HydrophobicContact CG-CD2 3.8Å |
| 259 | A | 82.3 | Confident | 87.4 | Confident | 27 Ų | 27 | 46.7 Ų | 46.7 | 22% | 0.223 | 23% | 0.226 | C | C | . | . | trans | -78.8 | -42.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E278 I280 | A259-E278 HydrophobicContact CB-CB 3.77Å; A259-E278 HydrophobicContact CB-CG 3.49Å; A259-E278 VanDerWaalsContact CB-CG 3.49Å; A259-E278 WeakPolarHBondContact CB-O 3.26Å; A259-E278 WeakPolarHBondContact CB-OE2 3.48Å; A259-E278 PolarHBondContact N-O 3.38Å; A259-I280 HydrophobicContact CB-CD1 3.98Å; A259-I280 HydrophobicContact CB-CG1 3.77Å | ||
| 260 | R | 76.7 | Confident | 86.4 | Confident | 151 Ų | 151 | 50.4 Ų | 50.4 | 57% | 0.57 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -142.3 | 161.7 | -172.8 | -57.7 | -177.2 | -170.5 | -133.5 | -0.3 | 111.4 | K262 G263 E278 | R260-K262 PolarHBondContact O-N 3.02Å; R260-G263 PolarHBondContact O-N 3.19Å; R260-E278 IonicContact NE-OE2 3.52Å; R260-E278 PolarHBondContact NE-OE2 2.76Å |
| 261 | F | 73.1 | Confident | 85.3 | Confident | 138 Ų | 138 | 52 Ų | 52 | 61% | 0.605 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | 49.3 | 27.5 | 167.1 | -54.3 | -67.8 | 0 | 0 | 0 | 116.6 | G263 A264 | F261-G263 PolarHBondContact O-N 3.15Å; F261-A264 WeakPolarHBondContact CB-O 3.33Å; F261-A264 PolarHBondContact O-N 2.7Å; F261-A264 VanDerWaalsContact O-N 3.13Å |
| 262 | K | 78 | Confident | 84.4 | Confident | 187 Ų | 187 | 57.7 Ų | 57.7 | 81% | 0.813 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | 49.7 | 39.8 | -174.2 | -58.6 | -178.7 | 178.3 | -180 | 0 | 112.8 | E258 R260 A264 | E258-K262 WeakPolarHBondContact OE2-CA 3.12Å; R260-K262 PolarHBondContact O-N 3.02Å; K262-A264 VanDerWaalsContact C-N 3.28Å; K262-A264 PolarHBondContact O-N 2.97Å |
| 263 | G | 79.9 | Confident | 83.9 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | 76.8 | 4.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | E258 R260 F261 Y265 L361 S362 | E258-G263 PolarHBondContact OE2-N 2.9Å; E258-G263 VanDerWaalsContact OE2-N 3.16Å; R260-G263 PolarHBondContact O-N 3.19Å; F261-G263 PolarHBondContact O-N 3.15Å; G263-Y265 WeakPolarHBondContact O-CD2 3.3Å; G263-L361 CarbonylContact O-C 3.52Å; G263-L361 VanDerWaalsContact O-CA 3.26Å; G263-L361 WeakPolarHBondContact O-CA 3.41Å; G263-S362 PolarHBondContact O-N 3.25Å |
| 264 | A | 83.1 | Confident | 83.5 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 31% | 0.314 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 123.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F261 K262 F364 | F261-A264 WeakPolarHBondContact CB-O 3.33Å; F261-A264 PolarHBondContact O-N 2.7Å; F261-A264 VanDerWaalsContact O-N 3.13Å; K262-A264 VanDerWaalsContact C-N 3.28Å; K262-A264 PolarHBondContact O-N 2.97Å; A264-F364 HydrophobicContact CB-CE1 3.94Å |
| 265 | Y | 85.7 | Confident | 83.2 | Confident | 12 Ų | 12 | 60.5 Ų | 60.5 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 115.7 | -175.4 | -63.1 | -100.5 | 0 | 0 | 0 | 109.7 | G263 M275 L277 E278 L361 S362 L363 F364 | G263-Y265 WeakPolarHBondContact O-CD2 3.3Å; Y265-M275 HydrophobicContact CD1-SD 4.02Å; Y265-M275 HydrophobicContact CG-SD 4.47Å; Y265-L277 HydrophobicContact CD1-CD2 4.01Å; Y265-L277 HydrophobicContact CD2-CD2 3.73Å; Y265-L277 HydrophobicContact CE1-CD2 4.49Å; Y265-L277 HydrophobicContact CE2-CD2 4.26Å; Y265-L277 HydrophobicContact CG-CD2 3.6Å; Y265-E278 PolarHBondContact OH-O 2.85Å; Y265-L361 HydrophobicContact CD2-CB 4.34Å; Y265-L361 HydrophobicContact CE2-CB 4.11Å; Y265-L361 HydrophobicContact CE2-CD1 4.13Å; Y265-L361 HydrophobicContact CE2-CD2 4.15Å; Y265-L361 HydrophobicContact CE2-CG 4.36Å; Y265-S362 PolarHBondContact N-O 3.49Å; Y265-L363 WeakPolarHBondContact O-CA 3.47Å; Y265-L363 WeakPolarHBondContact O-CD1 2.98Å; Y265-F364 VanDerWaalsContact C-CE1 3.45Å; Y265-F364 VanDerWaalsContact O-CD1 3.29Å; Y265-F364 WeakPolarHBondContact O-CD1 3.16Å; Y265-F364 PolarHBondContact O-N 3.11Å |
| 266 | G | 84.7 | Confident | 83 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 134.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | M275 F364 | G266-M275 WeakPolarHBondContact O-CE 3.27Å; G266-F364 WeakPolarHBondContact CA-O 3.48Å |
| 267 | Q | 86.2 | Confident | 82.9 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 142.6 | 173.3 | -168.1 | 56.8 | -51 | 0 | 0 | 112.9 | D274 M275 V338 Y343 L363 F364 Q366 C369 | Q267-D274 PolarHBondContact NE2-O 2.88Å; Q267-M275 HydrophobicContact CB-CE 3.65Å; Q267-M275 HydrophobicContact CG-CE 4.15Å; Q267-V338 HydrophobicContact CB-CG1 4.32Å; Q267-V338 HydrophobicContact CG-CB 4.08Å; Q267-V338 HydrophobicContact CG-CG1 4.19Å; Q267-V338 HydrophobicContact CG-CG2 4.11Å; Q267-Y343 WeakPolarHBondContact O-CE1 3.35Å; Q267-Y343 PolarHBondContact O-OH 2.92Å; Q267-L363 HydrophobicContact CB-CD1 4.14Å; Q267-F364 PolarHBondContact N-O 3.15Å; Q267-F364 VanDerWaalsContact N-O 3.07Å; Q267-Q366 CarbonylContact C-O 3.49Å; Q267-Q366 PolarHBondContact O-N 3.42Å; Q267-C369 PolarHBondContact OE1-SG 2.81Å |
| 268 | A | 81.6 | Confident | 82.8 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 10% | 0.099 | 28% | 0.279 | C | S | . | . | trans | -71.5 | 136 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y273 Q366 | A268-Y273 HydrophobicContact CB-CD2 4.35Å; A268-Y273 HydrophobicContact CB-CE2 4.46Å; A268-Q366 WeakPolarHBondContact CA-O 3.38Å; A268-Q366 WeakPolarHBondContact CB-O 3.49Å; A268-Q366 PolarHBondContact N-O 2.78Å | ||
| 269 | P | 78.3 | Confident | 83 | Confident | 31 Ų | 31 | 50.4 Ų | 50.4 | 20% | 0.201 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -72.7 | 149.1 | 176.3 | 31.1 | -30.6 | 0 | 0 | 0 | 107.9 | V340 Y343 Y365 | P269-V340 HydrophobicContact CB-CG2 3.94Å; P269-Y343 WeakPolarHBondContact CA-OH 3.49Å; P269-Y343 HydrophobicContact CB-CE2 4.25Å; P269-Y343 WeakPolarHBondContact CB-OH 3.3Å; P269-Y343 WeakPolarHBondContact CD-OH 3.31Å; P269-Y365 VanDerWaalsContact CD-CD2 3.42Å; P269-Y365 HydrophobicContact CG-CD2 3.66Å; P269-Y365 HydrophobicContact CG-CE2 3.46Å; P269-Y365 VanDerWaalsContact CG-CE2 3.46Å |
| 270 | D | 73.5 | Confident | 83.5 | Confident | 112 Ų | 112 | 50 Ų | 50 | 60% | 0.599 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 56.5 | 84.4 | 163.4 | -54 | -42.4 | 0 | 0 | 0 | 113.7 | V338 | D270-V338 PolarHBondContact N-O 2.89Š|
| 271 | G | 71.7 | Confident | 84.3 | Confident | 34 Ų | 34 | 42.8 Ų | 42.8 | 35% | 0.351 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -170.1 | 19.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y273 | G271-Y273 PolarHBondContact O-N 2.68Š|
| 272 | N | 77.3 | Confident | 85.3 | Confident | 127 Ų | 127 | 36.8 Ų | 36.8 | 68% | 0.679 | 20% | 0.201 | S | C | * | . | S | Bend | trans | 53.9 | 33.2 | -169 | -163.1 | 54.6 | 0 | 0 | 0 | 112.5 | N337 | N272-N337 PolarHBondContact N-OD1 3.33Š|
| 273 | Y | 84.8 | Confident | 86 | Confident | 46 Ų | 46 | 28 Ų | 28 | 18% | 0.18 | 17% | 0.165 | C | C | . | . | trans | -92 | 129.5 | 176.5 | -57.3 | -58.3 | 0 | 0 | 0 | 110 | A268 G271 N337 V338 P375 | A268-Y273 HydrophobicContact CB-CD2 4.35Å; A268-Y273 HydrophobicContact CB-CE2 4.46Å; G271-Y273 PolarHBondContact O-N 2.68Å; Y273-N337 WeakPolarHBondContact O-CA 3.35Å; Y273-V338 PolarHBondContact O-N 2.69Å; Y273-P375 VanDerWaalsContact CE1-CD 3.47Å; Y273-P375 HydrophobicContact CE1-CG 3.71Å | ||
| 274 | D | 89.1 | Confident | 86.6 | Confident | 46 Ų | 46 | 30.5 Ų | 30.5 | 25% | 0.246 | 17% | 0.174 | C | C | . | . | trans | -93.4 | 156.2 | 174.6 | -62.3 | -15.4 | 0 | 0 | 0 | 110.1 | Q267 L334 I335 R336 N337 | Q267-D274 PolarHBondContact NE2-O 2.88Å; D274-L334 HydrophobicContact CB-CD1 3.87Å; D274-I335 WeakPolarHBondContact CA-O 3.35Å; D274-R336 VanDerWaalsContact OD1-CA 3.24Å; D274-R336 WeakPolarHBondContact OD1-CA 3.22Å; D274-N337 PolarHBondContact OD1-N 3.34Å | ||
| 275 | M | 89 | Confident | 87.1 | Confident | 13 Ų | 13 | 30.7 Ų | 30.7 | 6% | 0.064 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 136.8 | 175.2 | 174.3 | 54.8 | 71.1 | 0 | 0 | 110.1 | Y265 G266 Q267 L277 L334 I335 V338 L363 | Y265-M275 HydrophobicContact CD1-SD 4.02Å; Y265-M275 HydrophobicContact CG-SD 4.47Å; G266-M275 WeakPolarHBondContact O-CE 3.27Å; Q267-M275 HydrophobicContact CB-CE 3.65Å; Q267-M275 HydrophobicContact CG-CE 4.15Å; M275-L277 HydrophobicContact CG-CD2 4Å; M275-L277 HydrophobicContact SD-CD2 4.48Å; M275-L334 CarbonylContact O-C 3.55Å; M275-L334 WeakPolarHBondContact O-CA 3.41Å; M275-I335 PolarHBondContact N-O 3.39Å; M275-I335 PolarHBondContact O-N 3.08Å; M275-V338 HydrophobicContact CB-CG2 3.63Å; M275-L363 HydrophobicContact CE-CD1 4.36Å; M275-L363 HydrophobicContact CG-CD1 3.91Å |
| 276 | T | 90.1 | Very high | 87.2 | Confident | 45 Ų | 45 | 34.7 Ų | 34.7 | 28% | 0.276 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 115.7 | 174.2 | -50.9 | 0 | 0 | 0 | 0 | 109.5 | T332 L333 | T276-T332 HydrophobicContact CG2-CG2 4.01Å; T276-L333 WeakPolarHBondContact CA-O 3.45Å |
| 277 | L | 92.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 139.9 | 167.6 | -54.5 | -174.2 | 0 | 0 | 0 | 108.7 | Y265 M275 W291 T332 L333 I335 Y346 L361 | Y265-L277 HydrophobicContact CD1-CD2 4.01Å; Y265-L277 HydrophobicContact CD2-CD2 3.73Å; Y265-L277 HydrophobicContact CE1-CD2 4.49Å; Y265-L277 HydrophobicContact CE2-CD2 4.26Å; Y265-L277 HydrophobicContact CG-CD2 3.6Å; M275-L277 HydrophobicContact CG-CD2 4Å; M275-L277 HydrophobicContact SD-CD2 4.48Å; L277-W291 HydrophobicContact CB-CH2 3.85Å; L277-W291 HydrophobicContact CB-CZ3 4.01Å; L277-T332 CarbonylContact O-C 3.57Å; L277-T332 VanDerWaalsContact O-CA 3.31Å; L277-T332 WeakPolarHBondContact O-CA 3.32Å; L277-L333 HydrophobicContact CB-CB 4.36Å; L277-L333 HydrophobicContact CD1-CD2 4.33Å; L277-L333 PolarHBondContact N-O 2.79Å; L277-L333 PolarHBondContact O-N 2.92Å; L277-I335 HydrophobicContact CD1-CD1 4.04Å; L277-I335 HydrophobicContact CG-CD1 4.32Å; L277-Y346 HydrophobicContact CD1-CD1 4.12Å; L277-Y346 HydrophobicContact CD1-CD2 3.63Å; L277-Y346 HydrophobicContact CD1-CE2 4.33Å; L277-Y346 HydrophobicContact CD1-CG 3.51Å; L277-L361 HydrophobicContact CB-CD1 3.88Å |
| 278 | E | 92 | Very high | 88.1 | Confident | 33 Ų | 33 | 41 Ų | 41 | 15% | 0.154 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 129.3 | -172.7 | -172.6 | -175.5 | -157.9 | 0 | 0 | 110.4 | A259 R260 Y265 F330 S331 T332 | A259-E278 HydrophobicContact CB-CB 3.77Å; A259-E278 HydrophobicContact CB-CG 3.49Å; A259-E278 VanDerWaalsContact CB-CG 3.49Å; A259-E278 WeakPolarHBondContact CB-O 3.26Å; A259-E278 WeakPolarHBondContact CB-OE2 3.48Å; A259-E278 PolarHBondContact N-O 3.38Å; R260-E278 IonicContact NE-OE2 3.52Å; R260-E278 PolarHBondContact NE-OE2 2.76Å; Y265-E278 PolarHBondContact OH-O 2.85Å; E278-F330 WeakPolarHBondContact OE1-CD1 3.4Å; E278-S331 WeakPolarHBondContact CA-O 3.27Å; E278-T332 HydrophobicContact CB-CG2 4.3Å; E278-T332 HydrophobicContact CG-CG2 3.96Å |
| 279 | C | 93.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 143 | 173 | 99.9 | 0 | 0 | 0 | 0 | 109.9 | V256 W291 S331 C348 V359 | V256-C279 HydrophobicContact CG1-CB 4.14Å; C279-W291 HydrophobicContact CB-CH2 4.25Å; C279-W291 HydrophobicContact CB-CZ2 4.38Å; C279-S331 PolarHBondContact N-O 3.31Å; C279-S331 PolarHBondContact O-N 3.24Å; C279-C348 HydrophobicContact CB-CB 3.38Å; C279-C348 WeakPolarHBondContact CB-SG 3.11Å; C279-C348 WeakPolarHBondContact SG-CB 3.48Å; C279-C348 CovalentContact SG-SG 2.04Å; C279-C348 PolarHBondContact SG-SG 3.47Å; C279-V359 HydrophobicContact CB-CG2 3.97Å |
| 280 | I | 93.2 | Very high | 89.6 | Confident | 19 Ų | 19 | 43.3 Ų | 43.3 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 127.6 | 177.7 | -52.4 | 173 | 0 | 0 | 0 | 108.1 | R257 A259 D328 F330 | R257-I280 HydrophobicContact CG-CB 3.76Å; R257-I280 HydrophobicContact CG-CG2 4.37Å; R257-I280 PolarHBondContact N-O 2.98Å; R257-I280 PolarHBondContact O-N 2.75Å; A259-I280 HydrophobicContact CB-CD1 3.98Å; A259-I280 HydrophobicContact CB-CG1 3.77Å; I280-D328 HydrophobicContact CG2-CB 3.82Å; I280-F330 HydrophobicContact CD1-CD1 4.28Å; I280-F330 HydrophobicContact CD1-CE1 3.8Å; I280-F330 HydrophobicContact CG1-CD1 3.78Å; I280-F330 HydrophobicContact CG1-CE1 3.8Å; I280-F330 HydrophobicContact CG2-CE1 4.45Å |
| 281 | V | 93.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 132.4 | -176.2 | -176.1 | 0 | 0 | 0 | 0 | 109.7 | P254 V256 P287 L289 V329 A350 | P254-V281 HydrophobicContact CB-CG1 4.23Å; V256-V281 HydrophobicContact CG1-CG2 4.09Å; V256-V281 HydrophobicContact CG2-CG1 4.4Å; V256-V281 HydrophobicContact CG2-CG2 4.15Å; V281-P287 HydrophobicContact CG1-CG 3.62Å; V281-L289 HydrophobicContact CB-CD2 4.17Å; V281-L289 HydrophobicContact CG1-CD2 4.05Å; V281-L289 HydrophobicContact CG2-CD2 3.73Å; V281-V329 PolarHBondContact N-O 3.42Å; V281-V329 PolarHBondContact O-N 3.12Å; V281-A350 HydrophobicContact CG1-CB 3.5Å; V281-A350 HydrophobicContact CG2-CB 4.17Å |
| 282 | N | 92.2 | Very high | 91.9 | Very high | 11 Ų | 11 | 37.1 Ų | 37.1 | 6% | 0.059 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 114.6 | 170.3 | 177.2 | -118.5 | 0 | 0 | 0 | 110.9 | R224 Y252 P254 H255 V326 T327 | R224-N282 WeakPolarHBondContact CD-OD1 3.12Å; R224-N282 PolarHBondContact NH1-OD1 3.11Å; Y252-N282 VanDerWaalsContact CE2-OD1 3.25Å; Y252-N282 WeakPolarHBondContact CE2-OD1 3.3Å; Y252-N282 PolarHBondContact OH-ND2 3.41Å; P254-N282 CarbonylContact C-O 3.51Å; P254-N282 WeakPolarHBondContact CA-O 3.23Å; H255-N282 PolarHBondContact N-O 2.88Å; H255-N282 PolarHBondContact O-N 3.04Å; N282-V326 WeakPolarHBondContact ND2-CG1 3.32Å; N282-T327 PolarHBondContact ND2-O 3.41Å |
| 283 | G | 93.4 | Very high | 92.7 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 151.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 284 | Y | 93.1 | Very high | 93.2 | Very high | 55 Ų | 55 | 33.9 Ų | 33.9 | 22% | 0.216 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 134.2 | 172.6 | -170.6 | -97 | 0 | 0 | 0 | 112 | E249 V250 N251 Y252 | E249-Y284 HydrophobicContact CB-CE1 4.44Å; V250-Y284 WeakPolarHBondContact O-CD1 3.49Å; N251-Y284 WeakPolarHBondContact CA-O 3.48Å; Y252-Y284 VanDerWaalsContact CE1-CB 3.49Å; Y252-Y284 PolarHBondContact N-O 3.02Å; Y252-Y284 PolarHBondContact O-N 3.4Å |
| 285 | P | 92.5 | Very high | 93.4 | Very high | 41 Ų | 41 | 36.6 Ų | 36.6 | 27% | 0.266 | 20% | 0.203 | S | C | . | . | S | Bend | cis | -57.8 | 162.7 | -4.6 | -24.6 | 34.9 | 0 | 0 | 0 | 112.9 | N352 Y354 | P285-N352 PolarHBondContact O-ND2 2.83Å; P285-N352 VanDerWaalsContact O-ND2 3.13Å; P285-Y354 HydrophobicContact CG-CE2 4.5Å |
| 286 | D | 89.3 | Confident | 93.6 | Very high | 96 Ų | 96 | 37.1 Ų | 37.1 | 51% | 0.513 | 21% | 0.205 | S | C | . | . | trans | -45.7 | 121 | -177 | -68.1 | -11.2 | 0 | 0 | 0 | 110.7 | ||||
| 287 | P | 94.1 | Very high | 93.7 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 10% | 0.097 | 21% | 0.207 | C | C | . | . | trans | -78.8 | 148.7 | -177.5 | 30 | -33.1 | 0 | 0 | 0 | 112 | P254 V281 L289 A350 E351 N352 | P254-P287 HydrophobicContact CB-CB 4.01Å; P254-P287 HydrophobicContact CB-CG 4.21Å; P254-P287 HydrophobicContact CG-CB 4.39Å; V281-P287 HydrophobicContact CG1-CG 3.62Å; P287-L289 HydrophobicContact CG-CD2 4.31Å; P287-A350 HydrophobicContact CB-CB 4.11Å; P287-A350 HydrophobicContact CG-CB 4.32Å; P287-E351 CarbonylContact C-O 3.53Å; P287-E351 WeakPolarHBondContact CA-O 3.4Å; P287-E351 WeakPolarHBondContact CB-O 3.21Å; P287-N352 HydrophobicContact CB-CB 4.24Å | ||
| 288 | D | 94.4 | Very high | 93.4 | Very high | 121 Ų | 121 | 42.5 Ų | 42.5 | 65% | 0.647 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 130 | 168.1 | -69.1 | -37.9 | 0 | 0 | 0 | 109.6 | A350 E351 | D288-A350 CarbonylContact O-C 3.57Å; D288-A350 VanDerWaalsContact O-CA 3.29Å; D288-A350 WeakPolarHBondContact O-CA 3.48Å; D288-E351 PolarHBondContact N-O 3.12Å; D288-E351 PolarHBondContact O-N 2.74Å |
| 289 | L | 95.7 | Very high | 93.3 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 18% | 0.183 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 125.1 | -173.9 | -59.4 | -179.5 | 0 | 0 | 0 | 110.4 | V281 P287 K315 V329 R349 A350 | V281-L289 HydrophobicContact CB-CD2 4.17Å; V281-L289 HydrophobicContact CG1-CD2 4.05Å; V281-L289 HydrophobicContact CG2-CD2 3.73Å; P287-L289 HydrophobicContact CG-CD2 4.31Å; L289-K315 HydrophobicContact CD1-CB 4.33Å; L289-V329 HydrophobicContact CD1-CG1 3.82Å; L289-R349 WeakPolarHBondContact CA-O 3.22Å; L289-A350 HydrophobicContact CD2-CB 3.68Å |
| 290 | L | 95.8 | Very high | 93.1 | Very high | 57 Ų | 57 | 51.5 Ų | 51.5 | 30% | 0.298 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 137.9 | -178.4 | -64.7 | 174.1 | 0 | 0 | 0 | 110.8 | Y292 P304 R349 | L290-Y292 HydrophobicContact CB-CE2 3.64Å; L290-Y292 WeakPolarHBondContact CD1-OH 3.41Å; L290-P304 HydrophobicContact CD2-CB 4.34Å; L290-R349 PolarHBondContact N-O 3.42Å; L290-R349 PolarHBondContact O-N 3.21Å |
| 291 | W | 97.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 143.6 | 174.7 | -75.2 | 94.8 | 0 | 0 | 0 | 110.7 | L277 C279 P304 L305 L313 S331 L333 S347 C348 L361 | L277-W291 HydrophobicContact CB-CH2 3.85Å; L277-W291 HydrophobicContact CB-CZ3 4.01Å; C279-W291 HydrophobicContact CB-CH2 4.25Å; C279-W291 HydrophobicContact CB-CZ2 4.38Å; W291-P304 CarbonylContact O-C 3.57Å; W291-P304 VanDerWaalsContact O-CA 3.3Å; W291-P304 WeakPolarHBondContact O-CA 3.27Å; W291-L305 HydrophobicContact CB-CB 4.12Å; W291-L305 HydrophobicContact CB-CD1 4.27Å; W291-L305 PolarHBondContact O-N 2.61Å; W291-L313 HydrophobicContact CB-CD2 4.36Å; W291-L313 HydrophobicContact CG-CD2 4.44Å; W291-S331 WeakPolarHBondContact CZ2-O 3.41Å; W291-S331 PolarHBondContact NE1-OG 2.74Å; W291-L333 HydrophobicContact CB-CD2 4.28Å; W291-L333 HydrophobicContact CD2-CB 3.68Å; W291-L333 HydrophobicContact CD2-CD2 4.04Å; W291-L333 HydrophobicContact CD2-CG 4.43Å; W291-L333 HydrophobicContact CE3-CB 4.03Å; W291-L333 HydrophobicContact CE3-CD2 3.84Å; W291-L333 HydrophobicContact CG-CB 4.06Å; W291-L333 HydrophobicContact CG-CD2 4.25Å; W291-L333 HydrophobicContact CH2-CB 4.26Å; W291-L333 HydrophobicContact CZ2-CB 3.95Å; W291-L333 HydrophobicContact CZ3-CB 4.3Å; W291-L333 HydrophobicContact CZ3-CD2 4.44Å; W291-S347 CarbonylContact C-O 3.58Å; W291-S347 WeakPolarHBondContact CA-O 3.18Å; W291-C348 HydrophobicContact CD2-CB 4.22Å; W291-C348 HydrophobicContact CE3-CB 3.95Å; W291-C348 HydrophobicContact CH2-CB 3.72Å; W291-C348 HydrophobicContact CZ2-CB 3.98Å; W291-C348 VanDerWaalsContact CZ2-SG 3.5Å; W291-C348 HydrophobicContact CZ3-CB 3.69Å; W291-L361 HydrophobicContact CH2-CD1 3.53Å; W291-L361 HydrophobicContact CZ3-CD1 3.67Å |
| 292 | Y | 96.8 | Very high | 92.5 | Very high | 14 Ų | 14 | 60.6 Ų | 60.6 | 6% | 0.055 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 147.1 | 177.9 | -61.9 | -94 | 0 | 0 | 0 | 110.6 | L290 Y296 N302 P304 Y346 S347 R349 | L290-Y292 HydrophobicContact CB-CE2 3.64Å; L290-Y292 WeakPolarHBondContact CD1-OH 3.41Å; Y292-Y296 HydrophobicContact CD1-CD2 4.03Å; Y292-Y296 AromaticContact CD2-CD2 3.62Å; Y292-Y296 HydrophobicContact CD2-CD2 3.62Å; Y292-Y296 HydrophobicContact CD2-CE2 4.33Å; Y292-Y296 HydrophobicContact CD2-CG 4.35Å; Y292-Y296 AromaticContact CE1-CD2 3.95Å; Y292-Y296 HydrophobicContact CE1-CD2 3.95Å; Y292-Y296 AromaticContact CE1-CE2 3.99Å; Y292-Y296 HydrophobicContact CE1-CE2 3.99Å; Y292-Y296 AromaticContact CE2-CD2 3.57Å; Y292-Y296 HydrophobicContact CE2-CD2 3.57Å; Y292-Y296 AromaticContact CE2-CE2 3.81Å; Y292-Y296 HydrophobicContact CE2-CE2 3.81Å; Y292-Y296 AromaticContact CG-CD2 3.86Å; Y292-Y296 HydrophobicContact CG-CD2 3.86Å; Y292-Y296 AromaticContact CZ-CD2 3.73Å; Y292-Y296 AromaticContact CZ-CE2 3.61Å; Y292-N302 HydrophobicContact CD1-CB 3.52Å; Y292-N302 HydrophobicContact CE1-CB 3.67Å; Y292-N302 HydrophobicContact CG-CB 4.48Å; Y292-P304 HydrophobicContact CD1-CB 4.28Å; Y292-P304 HydrophobicContact CE1-CB 3.82Å; Y292-P304 HydrophobicContact CE1-CG 4.34Å; Y292-Y346 CarbonylContact O-C 3.58Å; Y292-Y346 VanDerWaalsContact O-CA 3.29Å; Y292-Y346 WeakPolarHBondContact O-CA 3.22Å; Y292-S347 PolarHBondContact N-O 3.47Å; Y292-S347 PolarHBondContact O-N 3.49Å; Y292-R349 HydrophobicContact CD2-CB 4.31Å; Y292-R349 HydrophobicContact CE2-CB 3.92Å |
| 293 | T | 94.3 | Very high | 92.6 | Very high | 75 Ų | 75 | 68.1 Ų | 68.1 | 46% | 0.46 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 140.5 | 162.8 | 54.8 | 0 | 0 | 0 | 0 | 109.7 | L305 Y346 | T293-L305 HydrophobicContact CG2-CD1 4.08Å; T293-L305 HydrophobicContact CG2-CD2 3.85Å; T293-L305 HydrophobicContact CG2-CG 4.19Å; T293-Y346 HydrophobicContact CG2-CE1 4.11Å |
| 294 | G | 94.3 | Very high | 92.6 | Very high | 30 Ų | 30 | 69.4 Ų | 69.4 | 31% | 0.309 | 38% | 0.376 | S | S | . | . | S | Bend | trans | 78.9 | -166.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N345 Y346 S347 | G294-N345 WeakPolarHBondContact CA-O 3.35Å; G294-N345 PolarHBondContact N-O 3.22Å; G294-Y346 CarbonylContact O-C 3.58Å; G294-S347 PolarHBondContact O-N 2.92Å; G294-S347 PolarHBondContact O-OG 3.46Å |
| 295 | I | 93.4 | Very high | 92.8 | Very high | 102 Ų | 102 | 67.6 Ų | 67.6 | 52% | 0.523 | 37% | 0.37 | S | S | . | . | trans | -85.8 | 120.9 | 173.8 | -60.2 | 169.8 | 0 | 0 | 0 | 107.4 | D297 N345 S347 V360 | I295-D297 PolarHBondContact O-N 3.35Å; I295-N345 HydrophobicContact CG1-CB 4.15Å; I295-S347 WeakPolarHBondContact CA-OG 3.4Å; I295-V360 HydrophobicContact CG1-CG1 4.16Å; I295-V360 HydrophobicContact CG1-CG2 4.37Å; I295-V360 HydrophobicContact CG2-CG2 4.15Å | ||
| 296 | Y | 93.9 | Very high | 92.9 | Very high | 24 Ų | 24 | 71.5 Ų | 71.5 | 9% | 0.094 | 38% | 0.383 | C | S | . | . | trans | -63.4 | 132.5 | 175.9 | 175.6 | -94.5 | 0 | 0 | 0 | 110.5 | Y292 P298 N302 S347 R349 F358 | Y292-Y296 HydrophobicContact CD1-CD2 4.03Å; Y292-Y296 AromaticContact CD2-CD2 3.62Å; Y292-Y296 HydrophobicContact CD2-CD2 3.62Å; Y292-Y296 HydrophobicContact CD2-CE2 4.33Å; Y292-Y296 HydrophobicContact CD2-CG 4.35Å; Y292-Y296 AromaticContact CE1-CD2 3.95Å; Y292-Y296 HydrophobicContact CE1-CD2 3.95Å; Y292-Y296 AromaticContact CE1-CE2 3.99Å; Y292-Y296 HydrophobicContact CE1-CE2 3.99Å; Y292-Y296 AromaticContact CE2-CD2 3.57Å; Y292-Y296 HydrophobicContact CE2-CD2 3.57Å; Y292-Y296 AromaticContact CE2-CE2 3.81Å; Y292-Y296 HydrophobicContact CE2-CE2 3.81Å; Y292-Y296 AromaticContact CG-CD2 3.86Å; Y292-Y296 HydrophobicContact CG-CD2 3.86Å; Y292-Y296 AromaticContact CZ-CD2 3.73Å; Y292-Y296 AromaticContact CZ-CE2 3.61Å; Y296-P298 HydrophobicContact CE1-CB 4.47Å; Y296-P298 HydrophobicContact CE1-CG 3.92Å; Y296-N302 HydrophobicContact CD2-CB 4.2Å; Y296-N302 HydrophobicContact CE2-CB 4.38Å; Y296-S347 PolarHBondContact N-OG 3.13Å; Y296-R349 VanDerWaalsContact CE1-CD 3.46Å; Y296-R349 PolarHBondContact OH-NE 2.8Å; Y296-R349 VanDerWaalsContact OH-NE 3.13Å; Y296-F358 AromaticContact CD1-CD1 3.85Å; Y296-F358 HydrophobicContact CD1-CD1 3.85Å; Y296-F358 HydrophobicContact CD1-CE1 4.03Å; Y296-F358 HydrophobicContact CD1-CG 4.16Å; Y296-F358 HydrophobicContact CD1-CZ 4.47Å; Y296-F358 WeakPolarHBondContact O-CZ 3.49Å | ||
| 297 | D | 91.8 | Very high | 93.2 | Very high | 59 Ų | 59 | 71.9 Ų | 71.9 | 32% | 0.316 | 39% | 0.385 | S | S | . | . | trans | -131.1 | 116.5 | 176.8 | 175.4 | -3.2 | 0 | 0 | 0 | 110.4 | I295 I299 T300 N302 | I295-D297 PolarHBondContact O-N 3.35Å; D297-I299 PolarHBondContact O-N 2.79Å; D297-I299 WeakPolarHBondContact OD1-CB 3.41Å; D297-I299 PolarHBondContact OD1-N 3.44Å; D297-T300 HydrophobicContact CB-CG2 4.1Å; D297-T300 WeakPolarHBondContact CB-OG1 3.33Å; D297-T300 PolarHBondContact O-N 2.81Å; D297-T300 VanDerWaalsContact O-N 3.11Å; D297-T300 PolarHBondContact O-OG1 3.35Å; D297-T300 VanDerWaalsContact O-OG1 3.12Å; D297-T300 WeakPolarHBondContact OD2-CG2 3.5Å; D297-N302 PolarHBondContact N-ND2 3.05Å; D297-N302 PolarHBondContact O-ND2 3.31Å | ||
| 298 | P | 86.7 | Confident | 93.3 | Very high | 99 Ų | 99 | 75 Ų | 75 | 64% | 0.643 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -21.4 | 179.3 | -22.1 | 30.1 | 0 | 0 | 0 | 115.7 | Y296 | Y296-P298 HydrophobicContact CE1-CB 4.47Å; Y296-P298 HydrophobicContact CE1-CG 3.92Å |
| 299 | I | 89.1 | Confident | 93.2 | Very high | 155 Ų | 155 | 76.2 Ų | 76.2 | 80% | 0.795 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -30.4 | -176.8 | -56.8 | 170.6 | 0 | 0 | 0 | 111 | D297 | D297-I299 PolarHBondContact O-N 2.79Å; D297-I299 WeakPolarHBondContact OD1-CB 3.41Å; D297-I299 PolarHBondContact OD1-N 3.44Å |
| 300 | T | 89.8 | Confident | 93.1 | Very high | 67 Ų | 67 | 77.8 Ų | 77.8 | 41% | 0.411 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -85.5 | 151.7 | -178.4 | 62.1 | 0 | 0 | 0 | 0 | 111.1 | D297 N302 | D297-T300 HydrophobicContact CB-CG2 4.1Å; D297-T300 WeakPolarHBondContact CB-OG1 3.33Å; D297-T300 PolarHBondContact O-N 2.81Å; D297-T300 VanDerWaalsContact O-N 3.11Å; D297-T300 PolarHBondContact O-OG1 3.35Å; D297-T300 VanDerWaalsContact O-OG1 3.12Å; D297-T300 WeakPolarHBondContact OD2-CG2 3.5Å; T300-N302 PolarHBondContact O-N 2.85Å; T300-N302 PolarHBondContact O-ND2 3.24Å; T300-N302 PolarHBondContact OG1-ND2 3.12Å; T300-N302 PolarHBondContact OG1-OD1 3.22Å |
| 301 | N | 84.6 | Confident | 93.1 | Very high | 173 Ų | 173 | 76.5 Ų | 76.5 | 93% | 0.925 | 40% | 0.402 | S | S | * | . | trans | -76 | 65.2 | 173.4 | -168.9 | 32.2 | 0 | 0 | 0 | 110.8 | K303 | N301-K303 PolarHBondContact O-N 2.89Š| ||
| 302 | N | 90.7 | Very high | 93 | Very high | 38 Ų | 38 | 80 Ų | 80 | 20% | 0.203 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 131.3 | 177.6 | -59 | -64.9 | 0 | 0 | 0 | 110 | Y292 Y296 D297 T300 | Y292-N302 HydrophobicContact CD1-CB 3.52Å; Y292-N302 HydrophobicContact CE1-CB 3.67Å; Y292-N302 HydrophobicContact CG-CB 4.48Å; Y296-N302 HydrophobicContact CD2-CB 4.2Å; Y296-N302 HydrophobicContact CE2-CB 4.38Å; D297-N302 PolarHBondContact N-ND2 3.05Å; D297-N302 PolarHBondContact O-ND2 3.31Å; T300-N302 PolarHBondContact O-N 2.85Å; T300-N302 PolarHBondContact O-ND2 3.24Å; T300-N302 PolarHBondContact OG1-ND2 3.12Å; T300-N302 PolarHBondContact OG1-OD1 3.22Å |
| 303 | K | 92.7 | Very high | 92.9 | Very high | 168 Ų | 168 | 81.4 Ų | 81.4 | 73% | 0.73 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -92.5 | 122.9 | 174.4 | -171.1 | -179.9 | 177.5 | -176.5 | 0 | 109.7 | N301 | N301-K303 PolarHBondContact O-N 2.89Š|
| 304 | P | 95.1 | Very high | 92.9 | Very high | 31 Ų | 31 | 83.7 Ų | 83.7 | 20% | 0.201 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 152.8 | 175.8 | 26 | -31.1 | 0 | 0 | 0 | 111.8 | L290 W291 Y292 F306 | L290-P304 HydrophobicContact CD2-CB 4.34Å; W291-P304 CarbonylContact O-C 3.57Å; W291-P304 VanDerWaalsContact O-CA 3.3Å; W291-P304 WeakPolarHBondContact O-CA 3.27Å; Y292-P304 HydrophobicContact CD1-CB 4.28Å; Y292-P304 HydrophobicContact CE1-CB 3.82Å; Y292-P304 HydrophobicContact CE1-CG 4.34Å; P304-F306 HydrophobicContact CB-CE2 4.34Å; P304-F306 HydrophobicContact CB-CZ 4.25Å; P304-F306 HydrophobicContact CG-CE1 4.39Å; P304-F306 HydrophobicContact CG-CE2 3.71Å; P304-F306 HydrophobicContact CG-CZ 3.53Å; P304-F306 WeakPolarHBondContact O-CD2 3.32Å; P304-F306 WeakPolarHBondContact O-CE2 3.47Å |
| 305 | L | 96 | Very high | 92.8 | Very high | 18 Ų | 18 | 89.9 Ų | 89.9 | 9% | 0.094 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 144.8 | 168.4 | -68.9 | 175.4 | 0 | 0 | 0 | 109.8 | W291 T293 Y311 L333 Y346 | W291-L305 HydrophobicContact CB-CB 4.12Å; W291-L305 HydrophobicContact CB-CD1 4.27Å; W291-L305 PolarHBondContact O-N 2.61Å; T293-L305 HydrophobicContact CG2-CD1 4.08Å; T293-L305 HydrophobicContact CG2-CD2 3.85Å; T293-L305 HydrophobicContact CG2-CG 4.19Å; L305-Y311 HydrophobicContact CD2-CD2 3.82Å; L305-Y311 HydrophobicContact CD2-CE2 3.68Å; L305-Y311 HydrophobicContact CD2-CG 4.45Å; L305-L333 HydrophobicContact CD1-CD1 4.34Å; L305-L333 HydrophobicContact CD1-CD2 3.64Å; L305-Y346 HydrophobicContact CD1-CD1 4.08Å; L305-Y346 HydrophobicContact CD1-CE1 4.2Å |
| 306 | F | 95.3 | Very high | 92.5 | Very high | 122 Ų | 122 | 87.2 Ų | 87.2 | 54% | 0.535 | 44% | 0.444 | S | S | . | . | trans | -136.8 | 156.3 | 179.4 | -62.4 | -78.9 | 0 | 0 | 0 | 109.8 | P304 N308 | P304-F306 HydrophobicContact CB-CE2 4.34Å; P304-F306 HydrophobicContact CB-CZ 4.25Å; P304-F306 HydrophobicContact CG-CE1 4.39Å; P304-F306 HydrophobicContact CG-CE2 3.71Å; P304-F306 HydrophobicContact CG-CZ 3.53Å; P304-F306 WeakPolarHBondContact O-CD2 3.32Å; P304-F306 WeakPolarHBondContact O-CE2 3.47Å; F306-N308 PolarHBondContact O-N 3.22Å; F306-N308 PolarHBondContact O-ND2 2.81Å; F306-N308 VanDerWaalsContact O-ND2 3.15Å | ||
| 307 | D | 95.6 | Very high | 92.1 | Very high | 105 Ų | 105 | 92 Ų | 92 | 56% | 0.561 | 47% | 0.467 | S | S | * | . | trans | -52.2 | 130.8 | 175.1 | -73.2 | -63.1 | 0 | 0 | 0 | 111.9 | Y311 E312 L313 | D307-Y311 CarbonylContact C-O 3.58Å; D307-Y311 WeakPolarHBondContact CA-O 3.45Å; D307-E312 VanDerWaalsContact OD1-CA 3.26Å; D307-E312 WeakPolarHBondContact OD1-CA 3.38Å; D307-L313 PolarHBondContact OD1-N 2.9Å | ||
| 308 | N | 95.8 | Very high | 91.4 | Very high | 80 Ų | 80 | 90.8 Ų | 90.8 | 43% | 0.428 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -160.3 | -165.2 | 173.4 | 61.6 | 54.7 | 0 | 0 | 0 | 110.7 | F306 R310 Y311 | F306-N308 PolarHBondContact O-N 3.22Å; F306-N308 PolarHBondContact O-ND2 2.81Å; F306-N308 VanDerWaalsContact O-ND2 3.15Å; N308-R310 PolarHBondContact O-N 2.83Å; N308-R310 WeakPolarHBondContact OD1-CA 3.34Å; N308-R310 WeakPolarHBondContact OD1-CB 3.48Å; N308-R310 PolarHBondContact OD1-N 2.94Å; N308-Y311 PolarHBondContact N-O 3.36Å; N308-Y311 PolarHBondContact OD1-N 2.77Å |
| 309 | N | 93.4 | Very high | 90.6 | Very high | 147 Ų | 147 | 97.8 Ų | 97.8 | 79% | 0.786 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -64.7 | -23.3 | -179.6 | -65.9 | -13.8 | 0 | 0 | 0 | 113.4 | R336 | N309-R336 PolarHBondContact O-NH1 3.07Š|
| 310 | R | 92 | Very high | 89.3 | Confident | 67 Ų | 67 | 91.4 Ų | 91.4 | 25% | 0.253 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -103.7 | -41.2 | -176.8 | -65.7 | -114.7 | -64.1 | 142.8 | 2.9 | 113.6 | N308 R336 D342 | N308-R310 PolarHBondContact O-N 2.83Å; N308-R310 WeakPolarHBondContact OD1-CA 3.34Å; N308-R310 WeakPolarHBondContact OD1-CB 3.48Å; N308-R310 PolarHBondContact OD1-N 2.94Å; R310-R336 PolarHBondContact O-N 3.12Å; R310-D342 IonicContact CZ-OD1 3.81Å; R310-D342 IonicContact CZ-OD2 3.7Å; R310-D342 IonicContact NH1-OD1 3.89Å; R310-D342 PolarHBondContact NH1-OD1 3.05Å; R310-D342 IonicContact NH1-OD2 2.89Å; R310-D342 PolarHBondContact NH1-OD2 3.41Å; R310-D342 IonicContact NH2-OD1 2.69Å; R310-D342 PolarHBondContact NH2-OD1 3.49Å; R310-D342 IonicContact NH2-OD2 3.57Å |
| 311 | Y | 96.1 | Very high | 87.9 | Confident | 30 Ų | 30 | 91.2 Ų | 91.2 | 12% | 0.118 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 133.9 | -179.1 | -58.2 | -60.5 | 0 | 0 | 0 | 110.1 | L305 D307 N308 L333 L334 I335 | L305-Y311 HydrophobicContact CD2-CD2 3.82Å; L305-Y311 HydrophobicContact CD2-CE2 3.68Å; L305-Y311 HydrophobicContact CD2-CG 4.45Å; D307-Y311 CarbonylContact C-O 3.58Å; D307-Y311 WeakPolarHBondContact CA-O 3.45Å; N308-Y311 PolarHBondContact N-O 3.36Å; N308-Y311 PolarHBondContact OD1-N 2.77Å; Y311-L333 HydrophobicContact CD1-CD1 4.13Å; Y311-L333 HydrophobicContact CG-CD1 4.39Å; Y311-L334 WeakPolarHBondContact CA-O 3.5Å; Y311-I335 HydrophobicContact CD1-CB 4.46Å; Y311-I335 HydrophobicContact CD1-CG1 3.99Å; Y311-I335 HydrophobicContact CD1-CG2 4.36Å; Y311-I335 HydrophobicContact CE1-CB 4.43Å; Y311-I335 HydrophobicContact CE1-CG1 3.98Å; Y311-I335 HydrophobicContact CE1-CG2 3.95Å |
| 312 | E | 95.8 | Very high | 86.7 | Confident | 76 Ų | 76 | 87.7 Ų | 87.7 | 36% | 0.355 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 126.8 | 171.9 | 170.5 | 174 | -170.1 | 0 | 0 | 108.8 | D307 L334 R336 | D307-E312 VanDerWaalsContact OD1-CA 3.26Å; D307-E312 WeakPolarHBondContact OD1-CA 3.38Å; E312-L334 HydrophobicContact CB-CB 4.09Å; E312-L334 HydrophobicContact CB-CD2 4.23Å; E312-L334 PolarHBondContact N-O 2.81Å; E312-L334 PolarHBondContact O-N 2.94Å; E312-L334 WeakPolarHBondContact OE2-CD2 3.4Å; E312-R336 IonicContact OE2-CZ 3.54Å; E312-R336 IonicContact OE2-NE 3.79Å; E312-R336 IonicContact OE2-NH2 2.65Å; E312-R336 PolarHBondContact OE2-NH2 3.29Å |
| 313 | L | 95.3 | Very high | 85.3 | Confident | 43 Ų | 43 | 87.6 Ų | 87.6 | 23% | 0.225 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 123.8 | -175.5 | -70.7 | 75.2 | 0 | 0 | 0 | 108.8 | W291 D307 T332 L333 | W291-L313 HydrophobicContact CB-CD2 4.36Å; W291-L313 HydrophobicContact CG-CD2 4.44Å; D307-L313 PolarHBondContact OD1-N 2.9Å; L313-T332 WeakPolarHBondContact CA-O 3.5Å; L313-L333 HydrophobicContact CD1-CD1 3.86Å; L313-L333 HydrophobicContact CG-CD1 4.04Å |
| 314 | E | 93.1 | Very high | 84.2 | Confident | 123 Ų | 123 | 80.5 Ų | 80.5 | 58% | 0.575 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 150.4 | 177.8 | 173.6 | -178.4 | -158.3 | 0 | 0 | 110.2 | T332 | E314-T332 VanDerWaalsContact CB-OG1 3.31Å; E314-T332 WeakPolarHBondContact CB-OG1 3.45Å; E314-T332 PolarHBondContact N-O 2.84Å; E314-T332 PolarHBondContact O-N 2.9Å; E314-T332 PolarHBondContact O-OG1 3.32Å |
| 315 | K | 91.7 | Very high | 83.2 | Confident | 160 Ų | 160 | 81.6 Ų | 81.6 | 70% | 0.696 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.4 | 171.9 | 66.6 | -176.4 | -178 | -179.6 | 0 | 109.9 | L289 V329 F330 | L289-K315 HydrophobicContact CD1-CB 4.33Å; K315-V329 HydrophobicContact CB-CG1 4.34Å; K315-F330 CarbonylContact C-O 3.55Å; K315-F330 VanDerWaalsContact CA-O 3.31Å; K315-F330 WeakPolarHBondContact CA-O 3.49Å |
| 316 | A | 88.9 | Confident | 82.4 | Confident | 46 Ų | 46 | 81.1 Ų | 81.1 | 38% | 0.38 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110 | V329 F330 | A316-V329 WeakPolarHBondContact O-CA 3.23Å; A316-F330 HydrophobicContact CB-CB 4.47Å; A316-F330 PolarHBondContact N-O 3.06Å; A316-F330 PolarHBondContact O-N 3.36Å |
| 317 | Q | 84.5 | Confident | 81.9 | Confident | 125 Ų | 125 | 76.7 Ų | 76.7 | 58% | 0.584 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 133.6 | 173.7 | -63 | -171.9 | 1.8 | 0 | 0 | 109.9 | V329 | Q317-V329 HydrophobicContact CG-CG2 4.29Å |
| 318 | S | 78.1 | Confident | 81.5 | Confident | 33 Ų | 33 | 72.4 Ų | 72.4 | 23% | 0.231 | 39% | 0.388 | C | S | . | . | trans | -64.5 | 149.1 | 166 | -174.6 | 0 | 0 | 0 | 0 | 110.1 | G320 D328 | S318-G320 PolarHBondContact O-N 2.88Å; S318-G320 PolarHBondContact OG-N 3.42Å; S318-D328 WeakPolarHBondContact CB-O 3.43Å; S318-D328 PolarHBondContact N-O 2.85Å | ||
| 319 | Y | 68.4 | Low | 81.3 | Confident | 247 Ų | 247 | 69.2 Ų | 69.2 | 97% | 0.969 | 37% | 0.371 | S | S | * | . | trans | -64.3 | -0.7 | 166 | -66.8 | -81.1 | 0 | 0 | 0 | 113.1 | ||||
| 320 | G | 62.3 | Low | 81.2 | Confident | 20 Ų | 20 | 65.1 Ų | 65.1 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | trans | 92.4 | 151.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S318 | S318-G320 PolarHBondContact O-N 2.88Å; S318-G320 PolarHBondContact OG-N 3.42Å | ||
| 321 | S | 60.4 | Low | 81.3 | Confident | 64 Ų | 64 | 62.1 Ų | 62.1 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -66 | 139.4 | 171 | -72.3 | 0 | 0 | 0 | 0 | 109.5 | G323 T324 | S321-G323 PolarHBondContact O-N 2.8Å; S321-T324 WeakPolarHBondContact CB-OG1 3.36Å; S321-T324 PolarHBondContact O-N 2.91Å; S321-T324 PolarHBondContact O-OG1 2.75Å |
| 322 | A | 60.3 | Low | 81.2 | Confident | 99 Ų | 99 | 61.8 Ų | 61.8 | 82% | 0.818 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.9 | 108.1 | -174 | 0 | 0 | 0 | 0 | 0 | 112.5 | R201 | R201-A322 PolarHBondContact NH2-O 3.36Š|
| 323 | G | 61.3 | Low | 81.1 | Confident | 35 Ų | 35 | 58.2 Ų | 58.2 | 36% | 0.361 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 0.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | N199 R201 S321 | N199-G323 PolarHBondContact ND2-O 2.77Å; R201-G323 WeakPolarHBondContact CD-O 3.31Å; R201-G323 VanDerWaalsContact NE-C 3.28Å; R201-G323 PolarHBondContact NE-O 2.85Å; R201-G323 PolarHBondContact NH1-O 3.17Å; S321-G323 PolarHBondContact O-N 2.8Å |
| 324 | T | 68.7 | Low | 81 | Confident | 19 Ų | 19 | 57.5 Ų | 57.5 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | trans | -99.3 | 146.6 | 167.4 | 55.5 | 0 | 0 | 0 | 0 | 110.4 | Y225 S321 V326 | Y225-T324 HydrophobicContact CD1-CG2 3.89Å; Y225-T324 HydrophobicContact CE1-CG2 4.44Å; S321-T324 WeakPolarHBondContact CB-OG1 3.36Å; S321-T324 PolarHBondContact O-N 2.91Å; S321-T324 PolarHBondContact O-OG1 2.75Å; T324-V326 PolarHBondContact O-N 3.34Å | ||
| 325 | N | 73.5 | Confident | 81.1 | Confident | 55 Ų | 55 | 51.6 Ų | 51.6 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | trans | -84.3 | 14.4 | 163.1 | -69.4 | 10.6 | 0 | 0 | 0 | 112.1 | R227 G228 T327 | R227-N325 HydrophobicContact CB-CB 4.34Å; R227-N325 HydrophobicContact CG-CB 3.95Å; R227-N325 PolarHBondContact NH1-O 3.25Å; G228-N325 WeakPolarHBondContact CA-ND2 3.39Å; N325-T327 PolarHBondContact O-N 3.43Å | ||
| 326 | V | 79.9 | Confident | 81.1 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | trans | -83.8 | 114.3 | 176.5 | -179.9 | 0 | 0 | 0 | 0 | 107.2 | R224 Y225 N282 T324 | R224-V326 HydrophobicContact CG-CG2 4.38Å; R224-V326 WeakPolarHBondContact O-CG2 3.48Å; Y225-V326 HydrophobicContact CD1-CG2 3.71Å; Y225-V326 HydrophobicContact CE1-CG2 4.09Å; N282-V326 WeakPolarHBondContact ND2-CG1 3.32Å; T324-V326 PolarHBondContact O-N 3.34Å | ||
| 327 | T | 84.1 | Confident | 81.1 | Confident | 29 Ų | 29 | 48.4 Ų | 48.4 | 18% | 0.178 | 27% | 0.267 | C | S | . | . | trans | -94.8 | 126.5 | 177.8 | 45.7 | 0 | 0 | 0 | 0 | 109.2 | N282 N325 | N282-T327 PolarHBondContact ND2-O 3.41Å; N325-T327 PolarHBondContact O-N 3.43Å | ||
| 328 | D | 88.4 | Confident | 81.3 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 8% | 0.08 | 24% | 0.239 | C | C | . | . | trans | -87.3 | 135.5 | 165.8 | -73.2 | -35 | 0 | 0 | 0 | 108.3 | R257 I280 S318 | R257-D328 IonicContact CZ-OD1 2.67Å; R257-D328 IonicContact CZ-OD2 3.57Å; R257-D328 IonicContact NH2-OD1 3.52Å; R257-D328 PolarHBondContact NH2-OD1 3.05Å; R257-D328 IonicContact NH2-OD2 2.79Å; R257-D328 PolarHBondContact NH2-OD2 2.87Å; I280-D328 HydrophobicContact CG2-CB 3.82Å; S318-D328 WeakPolarHBondContact CB-O 3.43Å; S318-D328 PolarHBondContact N-O 2.85Å | ||
| 329 | V | 90.7 | Very high | 81.9 | Confident | 12 Ų | 12 | 46.8 Ų | 46.8 | 7% | 0.073 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 124.3 | 170.8 | -173.6 | 0 | 0 | 0 | 0 | 108 | V281 L289 K315 A316 Q317 | V281-V329 PolarHBondContact N-O 3.42Å; V281-V329 PolarHBondContact O-N 3.12Å; L289-V329 HydrophobicContact CD1-CG1 3.82Å; K315-V329 HydrophobicContact CB-CG1 4.34Å; A316-V329 WeakPolarHBondContact O-CA 3.23Å; Q317-V329 HydrophobicContact CG-CG2 4.29Å |
| 330 | F | 91 | Very high | 82.8 | Confident | 61 Ų | 61 | 39.5 Ų | 39.5 | 27% | 0.268 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 115.8 | 173.3 | -59 | -90.3 | 0 | 0 | 0 | 108 | E278 I280 K315 A316 | E278-F330 WeakPolarHBondContact OE1-CD1 3.4Å; I280-F330 HydrophobicContact CD1-CD1 4.28Å; I280-F330 HydrophobicContact CD1-CE1 3.8Å; I280-F330 HydrophobicContact CG1-CD1 3.78Å; I280-F330 HydrophobicContact CG1-CE1 3.8Å; I280-F330 HydrophobicContact CG2-CE1 4.45Å; K315-F330 CarbonylContact C-O 3.55Å; K315-F330 VanDerWaalsContact CA-O 3.31Å; K315-F330 WeakPolarHBondContact CA-O 3.49Å; A316-F330 HydrophobicContact CB-CB 4.47Å; A316-F330 PolarHBondContact N-O 3.06Å; A316-F330 PolarHBondContact O-N 3.36Å |
| 331 | S | 94.3 | Very high | 84.2 | Confident | 4 Ų | 4 | 42.2 Ų | 42.2 | 3% | 0.028 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 125.8 | 172.3 | -166.9 | 0 | 0 | 0 | 0 | 108.1 | E278 C279 W291 | E278-S331 WeakPolarHBondContact CA-O 3.27Å; C279-S331 PolarHBondContact N-O 3.31Å; C279-S331 PolarHBondContact O-N 3.24Å; W291-S331 WeakPolarHBondContact CZ2-O 3.41Å; W291-S331 PolarHBondContact NE1-OG 2.74Å |
| 332 | T | 93.4 | Very high | 85.7 | Confident | 24 Ų | 24 | 39.5 Ų | 39.5 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 137.8 | 179.9 | 47.5 | 0 | 0 | 0 | 0 | 110.6 | T276 L277 E278 L313 E314 | T276-T332 HydrophobicContact CG2-CG2 4.01Å; L277-T332 CarbonylContact O-C 3.57Å; L277-T332 VanDerWaalsContact O-CA 3.31Å; L277-T332 WeakPolarHBondContact O-CA 3.32Å; E278-T332 HydrophobicContact CB-CG2 4.3Å; E278-T332 HydrophobicContact CG-CG2 3.96Å; L313-T332 WeakPolarHBondContact CA-O 3.5Å; E314-T332 VanDerWaalsContact CB-OG1 3.31Å; E314-T332 WeakPolarHBondContact CB-OG1 3.45Å; E314-T332 PolarHBondContact N-O 2.84Å; E314-T332 PolarHBondContact O-N 2.9Å; E314-T332 PolarHBondContact O-OG1 3.32Å |
| 333 | L | 95.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 108.6 | 169.3 | 171.7 | 67.1 | 0 | 0 | 0 | 108 | T276 L277 W291 L305 Y311 L313 I335 Y346 | T276-L333 WeakPolarHBondContact CA-O 3.45Å; L277-L333 HydrophobicContact CB-CB 4.36Å; L277-L333 HydrophobicContact CD1-CD2 4.33Å; L277-L333 PolarHBondContact N-O 2.79Å; L277-L333 PolarHBondContact O-N 2.92Å; W291-L333 HydrophobicContact CB-CD2 4.28Å; W291-L333 HydrophobicContact CD2-CB 3.68Å; W291-L333 HydrophobicContact CD2-CD2 4.04Å; W291-L333 HydrophobicContact CD2-CG 4.43Å; W291-L333 HydrophobicContact CE3-CB 4.03Å; W291-L333 HydrophobicContact CE3-CD2 3.84Å; W291-L333 HydrophobicContact CG-CB 4.06Å; W291-L333 HydrophobicContact CG-CD2 4.25Å; W291-L333 HydrophobicContact CH2-CB 4.26Å; W291-L333 HydrophobicContact CZ2-CB 3.95Å; W291-L333 HydrophobicContact CZ3-CB 4.3Å; W291-L333 HydrophobicContact CZ3-CD2 4.44Å; L305-L333 HydrophobicContact CD1-CD1 4.34Å; L305-L333 HydrophobicContact CD1-CD2 3.64Å; Y311-L333 HydrophobicContact CD1-CD1 4.13Å; Y311-L333 HydrophobicContact CG-CD1 4.39Å; L313-L333 HydrophobicContact CD1-CD1 3.86Å; L313-L333 HydrophobicContact CG-CD1 4.04Å; L333-I335 HydrophobicContact CD2-CD1 4.49Å; L333-I335 HydrophobicContact CD2-CG1 4.4Å; L333-I335 HydrophobicContact CG-CG1 4.18Å; L333-Y346 HydrophobicContact CD2-CD1 3.93Å; L333-Y346 HydrophobicContact CD2-CE1 4.38Å |
| 334 | L | 93.5 | Very high | 88.8 | Confident | 28 Ų | 28 | 36.9 Ų | 36.9 | 15% | 0.147 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 125.1 | 170.6 | 179.4 | 71.2 | 0 | 0 | 0 | 109.4 | D274 M275 Y311 E312 R336 | D274-L334 HydrophobicContact CB-CD1 3.87Å; M275-L334 CarbonylContact O-C 3.55Å; M275-L334 WeakPolarHBondContact O-CA 3.41Å; Y311-L334 WeakPolarHBondContact CA-O 3.5Å; E312-L334 HydrophobicContact CB-CB 4.09Å; E312-L334 HydrophobicContact CB-CD2 4.23Å; E312-L334 PolarHBondContact N-O 2.81Å; E312-L334 PolarHBondContact O-N 2.94Å; E312-L334 WeakPolarHBondContact OE2-CD2 3.4Å; L334-R336 HydrophobicContact CD2-CG 4.26Å; L334-R336 HydrophobicContact CG-CG 4.38Å |
| 335 | I | 93.6 | Very high | 90 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 110.6 | 174.1 | -54 | 172.9 | 0 | 0 | 0 | 107 | D274 M275 L277 Y311 L333 V338 Y346 L363 | D274-I335 WeakPolarHBondContact CA-O 3.35Å; M275-I335 PolarHBondContact N-O 3.39Å; M275-I335 PolarHBondContact O-N 3.08Å; L277-I335 HydrophobicContact CD1-CD1 4.04Å; L277-I335 HydrophobicContact CG-CD1 4.32Å; Y311-I335 HydrophobicContact CD1-CB 4.46Å; Y311-I335 HydrophobicContact CD1-CG1 3.99Å; Y311-I335 HydrophobicContact CD1-CG2 4.36Å; Y311-I335 HydrophobicContact CE1-CB 4.43Å; Y311-I335 HydrophobicContact CE1-CG1 3.98Å; Y311-I335 HydrophobicContact CE1-CG2 3.95Å; L333-I335 HydrophobicContact CD2-CD1 4.49Å; L333-I335 HydrophobicContact CD2-CG1 4.4Å; L333-I335 HydrophobicContact CG-CG1 4.18Å; I335-V338 HydrophobicContact CB-CG2 4.4Å; I335-V338 HydrophobicContact CG2-CG2 4.15Å; I335-Y346 HydrophobicContact CD1-CE1 3.93Å; I335-Y346 HydrophobicContact CD1-CE2 4.22Å; I335-L363 HydrophobicContact CD1-CD2 3.83Å |
| 336 | R | 91.9 | Very high | 91.1 | Very high | 87 Ų | 87 | 36.7 Ų | 36.7 | 33% | 0.328 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -80.9 | 135.6 | -179.2 | -61.9 | -169.8 | -171.6 | 129.1 | -3.9 | 112 | D274 N309 R310 E312 L334 | D274-R336 VanDerWaalsContact OD1-CA 3.24Å; D274-R336 WeakPolarHBondContact OD1-CA 3.22Å; N309-R336 PolarHBondContact O-NH1 3.07Å; R310-R336 PolarHBondContact O-N 3.12Å; E312-R336 IonicContact OE2-CZ 3.54Å; E312-R336 IonicContact OE2-NE 3.79Å; E312-R336 IonicContact OE2-NH2 2.65Å; E312-R336 PolarHBondContact OE2-NH2 3.29Å; L334-R336 HydrophobicContact CD2-CG 4.26Å; L334-R336 HydrophobicContact CG-CG 4.38Å |
| 337 | N | 88.9 | Confident | 91.9 | Very high | 52 Ų | 52 | 36.3 Ų | 36.3 | 28% | 0.278 | 20% | 0.203 | S | C | . | . | S | Bend | trans | 48.4 | 71.8 | 177.5 | -173.7 | 25.1 | 0 | 0 | 0 | 112.1 | N272 Y273 D274 R339 | N272-N337 PolarHBondContact N-OD1 3.33Å; Y273-N337 WeakPolarHBondContact O-CA 3.35Å; D274-N337 PolarHBondContact OD1-N 3.34Å; N337-R339 WeakPolarHBondContact O-CG 3.37Å |
| 338 | V | 89.3 | Confident | 92.5 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | trans | -58.5 | 132.1 | -174.7 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | Q267 D270 Y273 M275 I335 D342 Y343 L363 | Q267-V338 HydrophobicContact CB-CG1 4.32Å; Q267-V338 HydrophobicContact CG-CB 4.08Å; Q267-V338 HydrophobicContact CG-CG1 4.19Å; Q267-V338 HydrophobicContact CG-CG2 4.11Å; D270-V338 PolarHBondContact N-O 2.89Å; Y273-V338 PolarHBondContact O-N 2.69Å; M275-V338 HydrophobicContact CB-CG2 3.63Å; I335-V338 HydrophobicContact CB-CG2 4.4Å; I335-V338 HydrophobicContact CG2-CG2 4.15Å; V338-D342 HydrophobicContact CG1-CB 4.33Å; V338-Y343 HydrophobicContact CG1-CE1 4.21Å; V338-L363 HydrophobicContact CG1-CD2 4.33Å | ||
| 339 | R | 90.1 | Very high | 92.8 | Very high | 123 Ų | 123 | 35.3 Ų | 35.3 | 46% | 0.464 | 20% | 0.195 | S | C | . | . | trans | -118.8 | 166.6 | -179.3 | -57.7 | 176.4 | -174.2 | 175.7 | -2.3 | 111.6 | N337 G341 D342 | N337-R339 WeakPolarHBondContact O-CG 3.37Å; R339-G341 PolarHBondContact O-N 2.02Å; R339-G341 VanDerWaalsContact O-N 3.14Å; R339-D342 PolarHBondContact N-OD2 2.86Å; R339-D342 WeakPolarHBondContact O-CB 3.27Å; R339-D342 PolarHBondContact O-N 2.84Å | ||
| 340 | V | 88.8 | Confident | 93.1 | Very high | 94 Ų | 94 | 34.7 Ų | 34.7 | 57% | 0.57 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -54.6 | -35.4 | 175.8 | -176.4 | 0 | 0 | 0 | 0 | 113.1 | P269 D342 Y343 | P269-V340 HydrophobicContact CB-CG2 3.94Å; V340-D342 VanDerWaalsContact C-N 3.28Å; V340-D342 PolarHBondContact O-N 2.89Å; V340-Y343 HydrophobicContact CB-CD2 4.45Å; V340-Y343 HydrophobicContact CB-CE2 4.39Å; V340-Y343 HydrophobicContact CG1-CD2 4.31Å; V340-Y343 HydrophobicContact CG2-CE2 4.45Å; V340-Y343 WeakPolarHBondContact O-CD2 3.33Å; V340-Y343 PolarHBondContact O-N 3.32Å |
| 341 | G | 89.7 | Confident | 93.4 | Very high | 76 Ų | 76 | 35.6 Ų | 35.6 | 78% | 0.784 | 20% | 0.196 | S | C | * | . | G | 310 helix | trans | -75.6 | -9.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R339 | R339-G341 PolarHBondContact O-N 2.02Å; R339-G341 VanDerWaalsContact O-N 3.14Å |
| 342 | D | 92.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 36.1 Ų | 36.1 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -85.7 | -14.3 | 176.6 | -63.6 | -42.7 | 0 | 0 | 0 | 111.7 | R310 V338 R339 V340 Y346 L363 | R310-D342 IonicContact CZ-OD1 3.81Å; R310-D342 IonicContact CZ-OD2 3.7Å; R310-D342 IonicContact NH1-OD1 3.89Å; R310-D342 PolarHBondContact NH1-OD1 3.05Å; R310-D342 IonicContact NH1-OD2 2.89Å; R310-D342 PolarHBondContact NH1-OD2 3.41Å; R310-D342 IonicContact NH2-OD1 2.69Å; R310-D342 PolarHBondContact NH2-OD1 3.49Å; R310-D342 IonicContact NH2-OD2 3.57Å; V338-D342 HydrophobicContact CG1-CB 4.33Å; R339-D342 PolarHBondContact N-OD2 2.86Å; R339-D342 WeakPolarHBondContact O-CB 3.27Å; R339-D342 PolarHBondContact O-N 2.84Å; V340-D342 VanDerWaalsContact C-N 3.28Å; V340-D342 PolarHBondContact O-N 2.89Å; D342-Y346 VanDerWaalsContact O-CE2 3.23Å; D342-Y346 WeakPolarHBondContact O-CE2 3.17Å; D342-Y346 PolarHBondContact O-OH 2.89Å; D342-L363 HydrophobicContact CB-CD2 4.47Å |
| 343 | Y | 92.8 | Very high | 93.6 | Very high | 48 Ų | 48 | 42.5 Ų | 42.5 | 19% | 0.188 | 22% | 0.224 | C | C | . | . | trans | -66.8 | 140.2 | 175.5 | -61.1 | -54.3 | 0 | 0 | 0 | 111.5 | Q267 P269 V338 V340 L363 F364 Y365 | Q267-Y343 WeakPolarHBondContact O-CE1 3.35Å; Q267-Y343 PolarHBondContact O-OH 2.92Å; P269-Y343 WeakPolarHBondContact CA-OH 3.49Å; P269-Y343 HydrophobicContact CB-CE2 4.25Å; P269-Y343 WeakPolarHBondContact CB-OH 3.3Å; P269-Y343 WeakPolarHBondContact CD-OH 3.31Å; V338-Y343 HydrophobicContact CG1-CE1 4.21Å; V340-Y343 HydrophobicContact CB-CD2 4.45Å; V340-Y343 HydrophobicContact CB-CE2 4.39Å; V340-Y343 HydrophobicContact CG1-CD2 4.31Å; V340-Y343 HydrophobicContact CG2-CE2 4.45Å; V340-Y343 WeakPolarHBondContact O-CD2 3.33Å; V340-Y343 PolarHBondContact O-N 3.32Å; Y343-L363 CarbonylContact C-O 3.54Å; Y343-L363 WeakPolarHBondContact CA-O 3.42Å; Y343-L363 HydrophobicContact CD1-CG 4.01Å; Y343-L363 HydrophobicContact CE1-CG 4.5Å; Y343-F364 VanDerWaalsContact CE1-C 3.43Å; Y343-F364 WeakPolarHBondContact CE1-O 3.18Å; Y343-Y365 HydrophobicContact CE2-CD2 4.18Å | ||
| 344 | G | 93.4 | Very high | 93.5 | Very high | 32 Ų | 32 | 46.3 Ų | 46.3 | 33% | 0.33 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 141.9 | -165.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L363 | G344-L363 PolarHBondContact N-O 3.17Å; G344-L363 PolarHBondContact O-N 2.92Å |
| 345 | N | 95.3 | Very high | 93.7 | Very high | 60 Ų | 60 | 46.3 Ų | 46.3 | 32% | 0.321 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 148.3 | -180 | -66.4 | -26.8 | 0 | 0 | 0 | 110.8 | G294 I295 V360 L361 | G294-N345 WeakPolarHBondContact CA-O 3.35Å; G294-N345 PolarHBondContact N-O 3.22Å; I295-N345 HydrophobicContact CG1-CB 4.15Å; N345-V360 HydrophobicContact CB-CG1 3.74Å; N345-L361 CarbonylContact C-O 3.54Å; N345-L361 WeakPolarHBondContact CA-O 3.02Å |
| 346 | Y | 95.6 | Very high | 93.8 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 4% | 0.035 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 141.1 | 171.4 | -69.8 | -97.3 | 0 | 0 | 0 | 108 | L277 Y292 T293 G294 L305 L333 I335 D342 V360 L361 L363 | L277-Y346 HydrophobicContact CD1-CD1 4.12Å; L277-Y346 HydrophobicContact CD1-CD2 3.63Å; L277-Y346 HydrophobicContact CD1-CE2 4.33Å; L277-Y346 HydrophobicContact CD1-CG 3.51Å; Y292-Y346 CarbonylContact O-C 3.58Å; Y292-Y346 VanDerWaalsContact O-CA 3.29Å; Y292-Y346 WeakPolarHBondContact O-CA 3.22Å; T293-Y346 HydrophobicContact CG2-CE1 4.11Å; G294-Y346 CarbonylContact O-C 3.58Å; L305-Y346 HydrophobicContact CD1-CD1 4.08Å; L305-Y346 HydrophobicContact CD1-CE1 4.2Å; L333-Y346 HydrophobicContact CD2-CD1 3.93Å; L333-Y346 HydrophobicContact CD2-CE1 4.38Å; I335-Y346 HydrophobicContact CD1-CE1 3.93Å; I335-Y346 HydrophobicContact CD1-CE2 4.22Å; D342-Y346 VanDerWaalsContact O-CE2 3.23Å; D342-Y346 WeakPolarHBondContact O-CE2 3.17Å; D342-Y346 PolarHBondContact O-OH 2.89Å; Y346-V360 CarbonylContact O-C 3.52Å; Y346-V360 WeakPolarHBondContact O-CA 3.43Å; Y346-L361 PolarHBondContact N-O 3.27Å; Y346-L361 PolarHBondContact O-N 3.34Å; Y346-L363 HydrophobicContact CD2-CB 4.16Å; Y346-L363 HydrophobicContact CE2-CB 3.89Å; Y346-L363 HydrophobicContact CE2-CD2 4.06Å |
| 347 | S | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127.6 | 179.4 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | W291 Y292 G294 I295 Y296 V359 | W291-S347 CarbonylContact C-O 3.58Å; W291-S347 WeakPolarHBondContact CA-O 3.18Å; Y292-S347 PolarHBondContact N-O 3.47Å; Y292-S347 PolarHBondContact O-N 3.49Å; G294-S347 PolarHBondContact O-N 2.92Å; G294-S347 PolarHBondContact O-OG 3.46Å; I295-S347 WeakPolarHBondContact CA-OG 3.4Å; Y296-S347 PolarHBondContact N-OG 3.13Å; S347-V359 VanDerWaalsContact CA-O 3.29Å; S347-V359 WeakPolarHBondContact CA-O 3.4Å |
| 348 | C | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 112.8 | 169.9 | -165.5 | 0 | 0 | 0 | 0 | 108.3 | C279 W291 F358 V359 | C279-C348 HydrophobicContact CB-CB 3.38Å; C279-C348 WeakPolarHBondContact CB-SG 3.11Å; C279-C348 WeakPolarHBondContact SG-CB 3.48Å; C279-C348 CovalentContact SG-SG 2.04Å; C279-C348 PolarHBondContact SG-SG 3.47Å; W291-C348 HydrophobicContact CD2-CB 4.22Å; W291-C348 HydrophobicContact CE3-CB 3.95Å; W291-C348 HydrophobicContact CH2-CB 3.72Å; W291-C348 HydrophobicContact CZ2-CB 3.98Å; W291-C348 VanDerWaalsContact CZ2-SG 3.5Å; W291-C348 HydrophobicContact CZ3-CB 3.69Å; C348-F358 CarbonylContact O-C 3.23Å; C348-F358 WeakPolarHBondContact O-CA 3.41Å; C348-F358 VanDerWaalsContact O-CB 3.31Å; C348-F358 WeakPolarHBondContact O-CB 3.47Å; C348-V359 HydrophobicContact CB-CG2 4.03Å; C348-V359 PolarHBondContact N-O 3.18Å; C348-V359 PolarHBondContact O-N 3.04Å |
| 349 | R | 96.5 | Very high | 94.6 | Very high | 23 Ų | 23 | 49.5 Ų | 49.5 | 9% | 0.087 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 139.4 | -177.9 | -178.2 | 175.9 | -177.6 | -109.5 | -2.8 | 110.7 | L289 L290 Y292 Y296 E351 S356 F358 | L289-R349 WeakPolarHBondContact CA-O 3.22Å; L290-R349 PolarHBondContact N-O 3.42Å; L290-R349 PolarHBondContact O-N 3.21Å; Y292-R349 HydrophobicContact CD2-CB 4.31Å; Y292-R349 HydrophobicContact CE2-CB 3.92Å; Y296-R349 VanDerWaalsContact CE1-CD 3.46Å; Y296-R349 PolarHBondContact OH-NE 2.8Å; Y296-R349 VanDerWaalsContact OH-NE 3.13Å; R349-E351 IonicContact CZ-OE2 3.46Å; R349-E351 IonicContact NH1-OE2 3.53Å; R349-E351 PolarHBondContact NH1-OE2 3.32Å; R349-E351 VanDerWaalsContact NH2-CD 3.27Å; R349-E351 IonicContact NH2-OE1 2.85Å; R349-E351 IonicContact NH2-OE2 3.5Å; R349-E351 PolarHBondContact NH2-OE2 3.39Å; R349-S356 PolarHBondContact NH2-OG 3.08Å; R349-F358 HydrophobicContact CB-CB 3.96Å; R349-F358 HydrophobicContact CG-CB 4.23Å |
| 350 | A | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 138 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | P254 V256 V281 P287 D288 L289 S356 N357 | P254-A350 HydrophobicContact CB-CB 3.71Å; P254-A350 HydrophobicContact CG-CB 4.14Å; P254-A350 WeakPolarHBondContact CG-O 2.96Å; V256-A350 HydrophobicContact CG2-CB 3.54Å; V281-A350 HydrophobicContact CG1-CB 3.5Å; V281-A350 HydrophobicContact CG2-CB 4.17Å; P287-A350 HydrophobicContact CB-CB 4.11Å; P287-A350 HydrophobicContact CG-CB 4.32Å; D288-A350 CarbonylContact O-C 3.57Å; D288-A350 VanDerWaalsContact O-CA 3.29Å; D288-A350 WeakPolarHBondContact O-CA 3.48Å; L289-A350 HydrophobicContact CD2-CB 3.68Å; A350-S356 CarbonylContact O-C 3.55Å; A350-S356 VanDerWaalsContact O-CA 3.22Å; A350-S356 WeakPolarHBondContact O-CA 3.06Å; A350-S356 WeakPolarHBondContact O-CB 3.44Å; A350-N357 PolarHBondContact N-O 3.3Å; A350-N357 PolarHBondContact O-N 2.95Å |
| 351 | E | 95.7 | Very high | 95.1 | Very high | 79 Ų | 79 | 41.4 Ų | 41.4 | 37% | 0.369 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 136.8 | 179.7 | 178.7 | 167.8 | -158.7 | 0 | 0 | 111.6 | P287 D288 R349 | P287-E351 CarbonylContact C-O 3.53Å; P287-E351 WeakPolarHBondContact CA-O 3.4Å; P287-E351 WeakPolarHBondContact CB-O 3.21Å; D288-E351 PolarHBondContact N-O 3.12Å; D288-E351 PolarHBondContact O-N 2.74Å; R349-E351 IonicContact CZ-OE2 3.46Å; R349-E351 IonicContact NH1-OE2 3.53Å; R349-E351 PolarHBondContact NH1-OE2 3.32Å; R349-E351 VanDerWaalsContact NH2-CD 3.27Å; R349-E351 IonicContact NH2-OE1 2.85Å; R349-E351 IonicContact NH2-OE2 3.5Å; R349-E351 PolarHBondContact NH2-OE2 3.39Å |
| 352 | N | 96.2 | Very high | 95.3 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 9% | 0.086 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 179 | 164.4 | 71.8 | 15.2 | 0 | 0 | 0 | 109.6 | Y252 P254 P285 P287 Y354 G355 | Y252-N352 PolarHBondContact O-ND2 2.9Å; P254-N352 WeakPolarHBondContact CD-OD1 3.34Å; P285-N352 PolarHBondContact O-ND2 2.83Å; P285-N352 VanDerWaalsContact O-ND2 3.13Å; P287-N352 HydrophobicContact CB-CB 4.24Å; N352-Y354 PolarHBondContact O-N 2.96Å; N352-Y354 WeakPolarHBondContact OD1-CA 3.48Å; N352-Y354 WeakPolarHBondContact OD1-CB 3.43Å; N352-Y354 PolarHBondContact OD1-N 2.82Å; N352-G355 PolarHBondContact N-O 3.37Å; N352-G355 PolarHBondContact O-N 2.92Å; N352-G355 PolarHBondContact OD1-N 3.04Å |
| 353 | K | 95.6 | Very high | 95.2 | Very high | 157 Ų | 157 | 39.5 Ų | 39.5 | 68% | 0.683 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -10 | -179.5 | 68.7 | -177.4 | -178 | 177.1 | 0 | 115.5 | ||
| 354 | Y | 95 | Very high | 95.1 | Very high | 81 Ų | 81 | 41.2 Ų | 41.2 | 32% | 0.318 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | -9.3 | 179.3 | -61.9 | -77.1 | 0 | 0 | 0 | 113.6 | T174 N251 P285 N352 | T174-Y354 HydrophobicContact CG2-CD1 4.04Å; T174-Y354 HydrophobicContact CG2-CE1 3.99Å; N251-Y354 HydrophobicContact CB-CD2 4.01Å; N251-Y354 HydrophobicContact CB-CE1 4.09Å; N251-Y354 HydrophobicContact CB-CE2 3.36Å; N251-Y354 VanDerWaalsContact CB-CZ 3.41Å; N251-Y354 VanDerWaalsContact CG-OH 3.25Å; N251-Y354 PolarHBondContact ND2-OH 3.44Å; P285-Y354 HydrophobicContact CG-CE2 4.5Å; N352-Y354 PolarHBondContact O-N 2.96Å; N352-Y354 WeakPolarHBondContact OD1-CA 3.48Å; N352-Y354 WeakPolarHBondContact OD1-CB 3.43Å; N352-Y354 PolarHBondContact OD1-N 2.82Å |
| 355 | G | 96 | Very high | 94.9 | Very high | 27 Ų | 27 | 46.3 Ų | 46.3 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 157.1 | -177.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P254 N352 | P254-G355 VanDerWaalsContact CD-O 3.28Å; P254-G355 WeakPolarHBondContact CD-O 3.39Å; N352-G355 PolarHBondContact N-O 3.37Å; N352-G355 PolarHBondContact O-N 2.92Å; N352-G355 PolarHBondContact OD1-N 3.04Å |
| 356 | S | 95.9 | Very high | 94.4 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 42% | 0.42 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 152.7 | 175.9 | 73.2 | 0 | 0 | 0 | 0 | 110.8 | R349 A350 | R349-S356 PolarHBondContact NH2-OG 3.08Å; A350-S356 CarbonylContact O-C 3.55Å; A350-S356 VanDerWaalsContact O-CA 3.22Å; A350-S356 WeakPolarHBondContact O-CA 3.06Å; A350-S356 WeakPolarHBondContact O-CB 3.44Å |
| 357 | N | 96.3 | Very high | 93.5 | Very high | 57 Ų | 57 | 49.4 Ų | 49.4 | 31% | 0.305 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 157 | 177.6 | -173.2 | -90.4 | 0 | 0 | 0 | 108.8 | P254 V256 A350 | P254-N357 WeakPolarHBondContact O-CB 3.33Å; V256-N357 WeakPolarHBondContact CB-OD1 3.46Å; V256-N357 HydrophobicContact CG2-CB 4.09Å; V256-N357 WeakPolarHBondContact CG2-O 3.38Å; V256-N357 PolarHBondContact N-OD1 3.41Å; A350-N357 PolarHBondContact N-O 3.3Å; A350-N357 PolarHBondContact O-N 2.95Å |
| 358 | F | 95.9 | Very high | 92.4 | Very high | 73 Ų | 73 | 55 Ų | 55 | 32% | 0.32 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 157.7 | 177.2 | 69.1 | -83.8 | 0 | 0 | 0 | 110.9 | Y296 C348 R349 V360 | Y296-F358 AromaticContact CD1-CD1 3.85Å; Y296-F358 HydrophobicContact CD1-CD1 3.85Å; Y296-F358 HydrophobicContact CD1-CE1 4.03Å; Y296-F358 HydrophobicContact CD1-CG 4.16Å; Y296-F358 HydrophobicContact CD1-CZ 4.47Å; Y296-F358 WeakPolarHBondContact O-CZ 3.49Å; C348-F358 CarbonylContact O-C 3.23Å; C348-F358 WeakPolarHBondContact O-CA 3.41Å; C348-F358 VanDerWaalsContact O-CB 3.31Å; C348-F358 WeakPolarHBondContact O-CB 3.47Å; R349-F358 HydrophobicContact CB-CB 3.96Å; R349-F358 HydrophobicContact CG-CB 4.23Å; F358-V360 HydrophobicContact CD2-CG2 4.2Å; F358-V360 HydrophobicContact CE2-CG2 3.96Å |
| 359 | V | 95.7 | Very high | 91.2 | Very high | 18 Ų | 18 | 55.8 Ų | 55.8 | 11% | 0.109 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 153.8 | 168.1 | -65.9 | 0 | 0 | 0 | 0 | 109.8 | V256 E258 C279 S347 C348 L361 | V256-V359 HydrophobicContact CB-CG1 3.98Å; V256-V359 HydrophobicContact CG1-CB 4.17Å; V256-V359 HydrophobicContact CG1-CG1 3.79Å; V256-V359 HydrophobicContact CG1-CG2 3.53Å; V256-V359 VanDerWaalsContact O-CG1 3.31Å; V256-V359 WeakPolarHBondContact O-CG1 3.46Å; E258-V359 HydrophobicContact CG-CB 4.38Å; C279-V359 HydrophobicContact CB-CG2 3.97Å; S347-V359 VanDerWaalsContact CA-O 3.29Å; S347-V359 WeakPolarHBondContact CA-O 3.4Å; C348-V359 HydrophobicContact CB-CG2 4.03Å; C348-V359 PolarHBondContact N-O 3.18Å; C348-V359 PolarHBondContact O-N 3.04Å; V359-L361 HydrophobicContact CG2-CD2 4.2Å |
| 360 | V | 95 | Very high | 89.8 | Confident | 46 Ų | 46 | 58.3 Ų | 58.3 | 28% | 0.279 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126 | 175.7 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | I295 N345 Y346 F358 | I295-V360 HydrophobicContact CG1-CG1 4.16Å; I295-V360 HydrophobicContact CG1-CG2 4.37Å; I295-V360 HydrophobicContact CG2-CG2 4.15Å; N345-V360 HydrophobicContact CB-CG1 3.74Å; Y346-V360 CarbonylContact O-C 3.52Å; Y346-V360 WeakPolarHBondContact O-CA 3.43Å; F358-V360 HydrophobicContact CD2-CG2 4.2Å; F358-V360 HydrophobicContact CE2-CG2 3.96Å |
| 361 | L | 94.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 138.8 | 174.1 | -49 | 179.6 | 0 | 0 | 0 | 108.4 | E258 G263 Y265 L277 W291 N345 Y346 V359 | E258-L361 HydrophobicContact CB-CD2 4.35Å; E258-L361 HydrophobicContact CG-CD2 3.8Å; G263-L361 CarbonylContact O-C 3.52Å; G263-L361 VanDerWaalsContact O-CA 3.26Å; G263-L361 WeakPolarHBondContact O-CA 3.41Å; Y265-L361 HydrophobicContact CD2-CB 4.34Å; Y265-L361 HydrophobicContact CE2-CB 4.11Å; Y265-L361 HydrophobicContact CE2-CD1 4.13Å; Y265-L361 HydrophobicContact CE2-CD2 4.15Å; Y265-L361 HydrophobicContact CE2-CG 4.36Å; L277-L361 HydrophobicContact CB-CD1 3.88Å; W291-L361 HydrophobicContact CH2-CD1 3.53Å; W291-L361 HydrophobicContact CZ3-CD1 3.67Å; N345-L361 CarbonylContact C-O 3.54Å; N345-L361 WeakPolarHBondContact CA-O 3.02Å; Y346-L361 PolarHBondContact N-O 3.27Å; Y346-L361 PolarHBondContact O-N 3.34Å; V359-L361 HydrophobicContact CG2-CD2 4.2Å |
| 362 | S | 92.5 | Very high | 86.6 | Confident | 43 Ų | 43 | 62.1 Ų | 62.1 | 30% | 0.301 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 117.4 | -179.7 | -171 | 0 | 0 | 0 | 0 | 109.6 | G263 Y265 | G263-S362 PolarHBondContact O-N 3.25Å; Y265-S362 PolarHBondContact N-O 3.49Å |
| 363 | L | 92.2 | Very high | 84.8 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 115.7 | 169.6 | 178 | 53.9 | 0 | 0 | 0 | 108.2 | Y265 Q267 M275 I335 V338 D342 Y343 G344 Y346 | Y265-L363 WeakPolarHBondContact O-CA 3.47Å; Y265-L363 WeakPolarHBondContact O-CD1 2.98Å; Q267-L363 HydrophobicContact CB-CD1 4.14Å; M275-L363 HydrophobicContact CE-CD1 4.36Å; M275-L363 HydrophobicContact CG-CD1 3.91Å; I335-L363 HydrophobicContact CD1-CD2 3.83Å; V338-L363 HydrophobicContact CG1-CD2 4.33Å; D342-L363 HydrophobicContact CB-CD2 4.47Å; Y343-L363 CarbonylContact C-O 3.54Å; Y343-L363 WeakPolarHBondContact CA-O 3.42Å; Y343-L363 HydrophobicContact CD1-CG 4.01Å; Y343-L363 HydrophobicContact CE1-CG 4.5Å; G344-L363 PolarHBondContact N-O 3.17Å; G344-L363 PolarHBondContact O-N 2.92Å; Y346-L363 HydrophobicContact CD2-CB 4.16Å; Y346-L363 HydrophobicContact CE2-CB 3.89Å; Y346-L363 HydrophobicContact CE2-CD2 4.06Å |
| 364 | F | 90.1 | Very high | 83.2 | Confident | 83 Ų | 83 | 62.9 Ų | 62.9 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 158.1 | -176.2 | 67.8 | -85 | 0 | 0 | 0 | 112 | A264 Y265 G266 Q267 Y343 Q366 | A264-F364 HydrophobicContact CB-CE1 3.94Å; Y265-F364 VanDerWaalsContact C-CE1 3.45Å; Y265-F364 VanDerWaalsContact O-CD1 3.29Å; Y265-F364 WeakPolarHBondContact O-CD1 3.16Å; Y265-F364 PolarHBondContact O-N 3.11Å; G266-F364 WeakPolarHBondContact CA-O 3.48Å; Q267-F364 PolarHBondContact N-O 3.15Å; Q267-F364 VanDerWaalsContact N-O 3.07Å; Y343-F364 VanDerWaalsContact CE1-C 3.43Å; Y343-F364 WeakPolarHBondContact CE1-O 3.18Å; F364-Q366 HydrophobicContact CE2-CB 4.36Å; F364-Q366 PolarHBondContact O-N 3.4Å |
| 365 | Y | 89.2 | Confident | 81.2 | Confident | 139 Ų | 139 | 62.3 Ų | 62.3 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 131.7 | 176.5 | 167.9 | -91.9 | 0 | 0 | 0 | 110.7 | P269 Y343 | P269-Y365 VanDerWaalsContact CD-CD2 3.42Å; P269-Y365 HydrophobicContact CG-CD2 3.66Å; P269-Y365 HydrophobicContact CG-CE2 3.46Å; P269-Y365 VanDerWaalsContact CG-CE2 3.46Å; Y343-Y365 HydrophobicContact CE2-CD2 4.18Å |
| 366 | Q | 83.8 | Confident | 78.7 | Confident | 42 Ų | 42 | 70 Ų | 70 | 20% | 0.196 | 39% | 0.39 | C | S | . | . | trans | -137.7 | 139.5 | 169 | -169.4 | 170.3 | -10.5 | 0 | 0 | 110.3 | Q267 A268 F364 I368 | Q267-Q366 CarbonylContact C-O 3.49Å; Q267-Q366 PolarHBondContact O-N 3.42Å; A268-Q366 WeakPolarHBondContact CA-O 3.38Å; A268-Q366 WeakPolarHBondContact CB-O 3.49Å; A268-Q366 PolarHBondContact N-O 2.78Å; F364-Q366 HydrophobicContact CE2-CB 4.36Å; F364-Q366 PolarHBondContact O-N 3.4Å; Q366-I368 WeakPolarHBondContact CG-O 3.41Å; Q366-I368 PolarHBondContact O-N 2.66Å | ||
| 367 | S | 76.8 | Confident | 76.1 | Confident | 92 Ų | 92 | 71.8 Ų | 71.8 | 64% | 0.643 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -67.7 | -22.9 | 179.8 | 53.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 368 | I | 74.4 | Confident | 73.2 | Confident | 117 Ų | 117 | 72.1 Ų | 72.1 | 60% | 0.6 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -112.7 | 128.4 | 179.3 | -54.7 | 172.7 | 0 | 0 | 0 | 107.7 | Q366 | Q366-I368 WeakPolarHBondContact CG-O 3.41Å; Q366-I368 PolarHBondContact O-N 2.66Å |
| 369 | C | 71.2 | Confident | 70.5 | Confident | 18 Ų | 18 | 73.4 Ų | 73.4 | 12% | 0.122 | 44% | 0.435 | C | S | . | . | trans | -58.1 | 135.6 | 172.2 | 180 | 0 | 0 | 0 | 0 | 110.7 | Q267 C374 | Q267-C369 PolarHBondContact OE1-SG 2.81Å; C369-C374 HydrophobicContact CB-CB 3.92Å; C369-C374 WeakPolarHBondContact CB-SG 3.23Å; C369-C374 PolarHBondContact O-SG 3.08Å; C369-C374 VanDerWaalsContact O-SG 3.34Å; C369-C374 WeakPolarHBondContact SG-CA 3.32Å; C369-C374 WeakPolarHBondContact SG-CB 3.33Å; C369-C374 CovalentContact SG-SG 2.04Å; C369-C374 PolarHBondContact SG-SG 2.96Å | ||
| 370 | Q | 67.7 | Low | 67.8 | Low | 75 Ų | 75 | 77.8 Ų | 77.8 | 35% | 0.35 | 46% | 0.462 | S | S | . | . | trans | -121.9 | 135.2 | 171.1 | -61.2 | -169 | -24.6 | 0 | 0 | 111.8 | C374 | Q370-C374 VanDerWaalsContact CA-SG 3.5Å; Q370-C374 PolarHBondContact N-SG 3.15Å | ||
| 371 | G | 63.2 | Low | 65.2 | Low | 59 Ų | 59 | 79.2 Ų | 79.2 | 61% | 0.608 | 47% | 0.474 | S | S | * | . | S | Bend | trans | 132.2 | 173.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y373 C374 | G371-Y373 PolarHBondContact O-N 2.8Å; G371-C374 PolarHBondContact N-SG 3.14Å; G371-C374 PolarHBondContact O-N 3.29Å |
| 372 | A | 60.9 | Low | 62.7 | Low | 100 Ų | 100 | 87 Ų | 87 | 83% | 0.826 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -25.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 373 | Y | 58.3 | Low | 60.2 | Low | 162 Ų | 162 | 91.3 Ų | 91.3 | 64% | 0.635 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | 3.5 | 180 | -60.9 | -72.5 | 0 | 0 | 0 | 113.5 | G371 P375 | G371-Y373 PolarHBondContact O-N 2.8Å; Y373-P375 VanDerWaalsContact O-CD 3.28Å; Y373-P375 WeakPolarHBondContact O-CD 3.31Å |
| 374 | C | 62.3 | Low | 58.1 | Low | 27 Ų | 27 | 94 Ų | 94 | 18% | 0.182 | 56% | 0.557 | C | S | . | * | S | Bend | trans | -66.8 | 121.2 | 166.4 | -63.5 | 0 | 0 | 0 | 0 | 107.4 | C369 Q370 G371 M376 | C369-C374 HydrophobicContact CB-CB 3.92Å; C369-C374 WeakPolarHBondContact CB-SG 3.23Å; C369-C374 PolarHBondContact O-SG 3.08Å; C369-C374 VanDerWaalsContact O-SG 3.34Å; C369-C374 WeakPolarHBondContact SG-CA 3.32Å; C369-C374 WeakPolarHBondContact SG-CB 3.33Å; C369-C374 CovalentContact SG-SG 2.04Å; C369-C374 PolarHBondContact SG-SG 2.96Å; Q370-C374 VanDerWaalsContact CA-SG 3.5Å; Q370-C374 PolarHBondContact N-SG 3.15Å; G371-C374 PolarHBondContact N-SG 3.14Å; G371-C374 PolarHBondContact O-N 3.29Å; C374-M376 PolarHBondContact O-N 3.4Å |
| 375 | P | 53.3 | Low | 55.9 | Low | 69 Ų | 69 | 100.1 Ų | 100.1 | 45% | 0.448 | 58% | 0.577 | S | S | . | * | trans | -52.9 | 134.9 | 161.7 | 22.6 | -27.6 | 0 | 0 | 0 | 105.6 | Y273 Y373 L377 | Y273-P375 VanDerWaalsContact CE1-CD 3.47Å; Y273-P375 HydrophobicContact CE1-CG 3.71Å; Y373-P375 VanDerWaalsContact O-CD 3.28Å; Y373-P375 WeakPolarHBondContact O-CD 3.31Å; P375-L377 HydrophobicContact CG-CD2 4.5Å; P375-L377 HydrophobicContact CG-CG 4.24Å; P375-L377 PolarHBondContact O-N 3.22Å | ||
| 376 | M | 42.5 | Very low | 54.2 | Low | 190 Ų | 190 | 97.7 Ų | 97.7 | 94% | 0.936 | 58% | 0.577 | S | S | * | * | trans | -56.2 | 85.4 | 162.3 | -67.7 | -83 | -103.6 | 0 | 0 | 105.3 | C374 G378 | C374-M376 PolarHBondContact O-N 3.4Å; M376-G378 PolarHBondContact O-N 3.13Å | ||
| 377 | L | 42.3 | Very low | 52.6 | Low | 97 Ų | 97 | 99.4 Ų | 99.4 | 51% | 0.508 | 59% | 0.587 | S | S | . | * | trans | -67.8 | 83.8 | 167.3 | -74.6 | 170 | 0 | 0 | 0 | 102.8 | P375 A379 V380 | P375-L377 HydrophobicContact CG-CD2 4.5Å; P375-L377 HydrophobicContact CG-CG 4.24Å; P375-L377 PolarHBondContact O-N 3.22Å; L377-A379 VanDerWaalsContact C-N 3.33Å; L377-A379 PolarHBondContact O-N 3.01Å; L377-V380 HydrophobicContact CB-CG2 4.25Å; L377-V380 HydrophobicContact CD2-CG2 3.86Å | ||
| 378 | G | 35 | Very low | 52 | Low | 64 Ų | 64 | 105.3 Ų | 105.3 | 66% | 0.66 | 61% | 0.605 | S | S | * | * | trans | -51.5 | 108.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 105.6 | M376 V380 | M376-G378 PolarHBondContact O-N 3.13Å; G378-V380 VanDerWaalsContact C-N 3.28Å; G378-V380 PolarHBondContact O-N 2.96Å | ||
| 379 | A | 39.8 | Very low | 51.5 | Low | 99 Ų | 99 | 105.6 Ų | 105.6 | 82% | 0.818 | 61% | 0.607 | S | S | * | * | trans | 29.6 | 61.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L377 S381 | L377-A379 VanDerWaalsContact C-N 3.33Å; L377-A379 PolarHBondContact O-N 3.01Å; A379-S381 VanDerWaalsContact C-N 3.3Å; A379-S381 PolarHBondContact O-N 2.97Å | ||
| 380 | V | 37.9 | Very low | 50.5 | Low | 111 Ų | 111 | 107.5 Ų | 107.5 | 67% | 0.673 | 63% | 0.63 | S | S | * | * | trans | -68.3 | 107.8 | 161.8 | -179.4 | 0 | 0 | 0 | 0 | 104.1 | L377 G378 L382 | L377-V380 HydrophobicContact CB-CG2 4.25Å; L377-V380 HydrophobicContact CD2-CG2 3.86Å; G378-V380 VanDerWaalsContact C-N 3.28Å; G378-V380 PolarHBondContact O-N 2.96Å; V380-L382 PolarHBondContact O-N 2.65Å | ||
| 381 | S | 40.3 | Very low | 49.7 | Very low | 75 Ų | 75 | 107.2 Ų | 107.2 | 52% | 0.524 | 63% | 0.634 | S | S | . | * | trans | -32.4 | 130 | 179.1 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | A379 D383 | A379-S381 VanDerWaalsContact C-N 3.3Å; A379-S381 PolarHBondContact O-N 2.97Å; S381-D383 PolarHBondContact O-N 3.1Å; S381-D383 PolarHBondContact OG-OD1 2.85Å | ||
| 382 | L | 42.5 | Very low | 49.1 | Very low | 164 Ų | 164 | 107.9 Ų | 107.9 | 86% | 0.859 | 63% | 0.629 | S | S | * | * | trans | -64.2 | 65.8 | 157.5 | -82.1 | 138.8 | 0 | 0 | 0 | 107.9 | V380 A384 | V380-L382 PolarHBondContact O-N 2.65Å; L382-A384 PolarHBondContact O-N 2.8Å | ||
| 383 | D | 41.2 | Very low | 48.9 | Very low | 133 Ų | 133 | 107.3 Ų | 107.3 | 71% | 0.711 | 62% | 0.615 | S | S | * | * | trans | -73.2 | 82.2 | 157.4 | -69.8 | -6.9 | 0 | 0 | 0 | 104.2 | S381 R385 | S381-D383 PolarHBondContact O-N 3.1Å; S381-D383 PolarHBondContact OG-OD1 2.85Å; D383-R385 PolarHBondContact O-N 2.82Å | ||
| 384 | A | 46.7 | Very low | 48.1 | Very low | 58 Ų | 58 | 105.6 Ų | 105.6 | 48% | 0.479 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -46.2 | 116.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | L382 V386 | L382-A384 PolarHBondContact O-N 2.8Å; A384-V386 WeakPolarHBondContact O-CG2 3.41Å; A384-V386 PolarHBondContact O-N 2.67Å |
| 385 | R | 44.7 | Very low | 46.8 | Very low | 211 Ų | 211 | 115.7 Ų | 115.7 | 80% | 0.796 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 118 | 170.8 | -69.7 | -174.1 | -179 | -169.1 | 1.7 | 106.6 | D383 V393 | D383-R385 PolarHBondContact O-N 2.82Å; R385-V393 HydrophobicContact CB-CB 4.48Å; R385-V393 HydrophobicContact CB-CG2 4.25Å; R385-V393 WeakPolarHBondContact O-CG2 3.37Å; R385-V393 PolarHBondContact O-N 3.47Å |
| 386 | V | 52.6 | Low | 46.5 | Very low | 89 Ų | 89 | 118.1 Ų | 118.1 | 54% | 0.539 | 68% | 0.679 | S | S | . | * | B | Isolated β-bridge | trans | -99.5 | 132.2 | 174.3 | -168.8 | 0 | 0 | 0 | 0 | 106.6 | A384 G390 T391 | A384-V386 WeakPolarHBondContact O-CG2 3.41Å; A384-V386 PolarHBondContact O-N 2.67Å; V386-G390 WeakPolarHBondContact CG1-O 3.44Å; V386-T391 CarbonylContact C-O 3.54Å; V386-T391 WeakPolarHBondContact CA-O 3.45Å |
| 387 | N | 51.4 | Low | 46.7 | Very low | 77 Ų | 77 | 114.3 Ų | 114.3 | 41% | 0.412 | 67% | 0.665 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 160.1 | 169.9 | -70.5 | -34.4 | 0 | 0 | 0 | 110.2 | D389 G390 T391 V393 | N387-D389 WeakPolarHBondContact CB-OD1 3.03Å; N387-D389 PolarHBondContact O-N 3.47Å; N387-G390 PolarHBondContact O-N 2.89Å; N387-T391 PolarHBondContact N-O 2.8Å; N387-T391 PolarHBondContact ND2-OG1 3.31Å; N387-V393 VanDerWaalsContact OD1-CG2 3.28Å; N387-V393 WeakPolarHBondContact OD1-CG2 3.47Å |
| 388 | E | 63 | Low | 46.9 | Very low | 217 Ų | 217 | 115.2 Ų | 115.2 | 100% | 1.014 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | -18.1 | 177.9 | -69.4 | -175.7 | 164.1 | 0 | 0 | 113.5 | ||
| 389 | D | 63.8 | Low | 47.6 | Very low | 122 Ų | 122 | 118.2 Ų | 118.2 | 65% | 0.652 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 7.9 | 176.1 | 60.7 | 12.7 | 0 | 0 | 0 | 114.5 | N387 T391 | N387-D389 WeakPolarHBondContact CB-OD1 3.03Å; N387-D389 PolarHBondContact O-N 3.47Å; D389-T391 PolarHBondContact OD1-N 3.49Å; D389-T391 PolarHBondContact OD1-OG1 3.44Å |
| 390 | G | 51.9 | Low | 48.1 | Very low | 58 Ų | 58 | 119.4 Ų | 119.4 | 60% | 0.598 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 86.6 | 6.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | V386 N387 | V386-G390 WeakPolarHBondContact CG1-O 3.44Å; N387-G390 PolarHBondContact O-N 2.89Å |
| 391 | T | 50.7 | Low | 48.8 | Very low | 69 Ų | 69 | 120 Ų | 120 | 42% | 0.423 | 67% | 0.666 | S | S | . | * | trans | -93.3 | 142.5 | 179.8 | 58.9 | 0 | 0 | 0 | 0 | 113 | V386 N387 D389 | V386-T391 CarbonylContact C-O 3.54Å; V386-T391 WeakPolarHBondContact CA-O 3.45Å; N387-T391 PolarHBondContact N-O 2.8Å; N387-T391 PolarHBondContact ND2-OG1 3.31Å; D389-T391 PolarHBondContact OD1-N 3.49Å; D389-T391 PolarHBondContact OD1-OG1 3.44Å | ||
| 392 | S | 50.6 | Low | 49.4 | Very low | 74 Ų | 74 | 123.2 Ų | 123.2 | 52% | 0.517 | 68% | 0.676 | S | S | . | * | B | Isolated β-bridge | trans | -72.1 | 133.2 | 178.6 | 54.1 | 0 | 0 | 0 | 0 | 111.4 | I394 | S392-I394 PolarHBondContact O-N 3.44Å |
| 393 | V | 56.3 | Low | 49.9 | Very low | 88 Ų | 88 | 120.1 Ų | 120.1 | 53% | 0.533 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -79 | 69 | 170.8 | -170.2 | 0 | 0 | 0 | 0 | 109.6 | R385 N387 | R385-V393 HydrophobicContact CB-CB 4.48Å; R385-V393 HydrophobicContact CB-CG2 4.25Å; R385-V393 WeakPolarHBondContact O-CG2 3.37Å; R385-V393 PolarHBondContact O-N 3.47Å; N387-V393 VanDerWaalsContact OD1-CG2 3.28Å; N387-V393 WeakPolarHBondContact OD1-CG2 3.47Å |
| 394 | I | 40.8 | Very low | 50.7 | Low | 126 Ų | 126 | 119 Ų | 119 | 65% | 0.646 | 66% | 0.657 | S | S | * | * | trans | -140.3 | 107.1 | 163.4 | -51.9 | 177.8 | 0 | 0 | 0 | 106.6 | S392 | S392-I394 PolarHBondContact O-N 3.44Š| ||
| 395 | N | 35.5 | Very low | 51 | Low | 239 Ų | 239 | 124.5 Ų | 124.5 | 100% | 1.278 | 67% | 0.674 | S | S | * | * | trans | -113.1 | 0 | 154.4 | -95 | -10.3 | 0 | 0 | 0 | 107.7 |
Retrieved 395 of 395 residues in 100 ms
(Link to these results)