| 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 | 39.1 | Very low | 43.8 | Very low | 222 Ų | 222 | 161.5 Ų | 161.5 | 100% | 1.094 | 73% | 0.73 | S | S | * | * | 0 | -54.9 | 0 | -76.6 | 171.3 | 168.8 | 0 | 0 | 113.5 | R3 K4 | M1-R3 VanDerWaalsContact C-N 3.27Å; M1-R3 PolarHBondContact O-N 2.97Å; M1-K4 PolarHBondContact O-N 3.36Å | |||
| 2 | L | 42 | Very low | 43.5 | Very low | 159 Ų | 159 | 161.4 Ų | 161.4 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -42.3 | -33.9 | -169.3 | -72.7 | 160.3 | 0 | 0 | 0 | 118.3 | K4 | L2-K4 VanDerWaalsContact C-N 3.33Å; L2-K4 PolarHBondContact O-N 2.9Å |
| 3 | R | 39.5 | Very low | 43.1 | Very low | 236 Ų | 236 | 156.1 Ų | 156.1 | 89% | 0.891 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -70 | -15.6 | 177.3 | -85.7 | -174.1 | 172.5 | 176.8 | -2.2 | 115.8 | M1 | M1-R3 VanDerWaalsContact C-N 3.27Å; M1-R3 PolarHBondContact O-N 2.97Å |
| 4 | K | 41.9 | Very low | 42.3 | Very low | 176 Ų | 176 | 151.7 Ų | 151.7 | 77% | 0.765 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -88.5 | -26.3 | 176.9 | -76 | -165.9 | 173.5 | -172.2 | 0 | 113.9 | M1 L2 W6 | M1-K4 PolarHBondContact O-N 3.36Å; L2-K4 VanDerWaalsContact C-N 3.33Å; L2-K4 PolarHBondContact O-N 2.9Å; K4-W6 VanDerWaalsContact C-N 3.32Å; K4-W6 PolarHBondContact O-N 3.41Å |
| 5 | C | 44.8 | Very low | 41.5 | Very low | 77 Ų | 77 | 147.5 Ų | 147.5 | 52% | 0.52 | 71% | 0.709 | S | S | . | * | H | α-helix | trans | -67.7 | -32.3 | 179.6 | -55.4 | 0 | 0 | 0 | 0 | 112.6 | W7 F8 V9 | C5-W7 VanDerWaalsContact C-N 3.35Å; C5-W7 PolarHBondContact O-N 3.43Å; C5-F8 PolarHBondContact O-N 3.24Å; C5-F8 VanDerWaalsContact O-N 3.14Å; C5-V9 PolarHBondContact O-N 3.14Å |
| 6 | W | 45.3 | Very low | 41.1 | Very low | 204 Ų | 204 | 148.9 Ų | 148.9 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -63.9 | -38 | -177.3 | -144.4 | 64.2 | 0 | 0 | 0 | 112.7 | K4 V10 | K4-W6 VanDerWaalsContact C-N 3.32Å; K4-W6 PolarHBondContact O-N 3.41Å; W6-V10 WeakPolarHBondContact O-CG2 3.37Å; W6-V10 PolarHBondContact O-N 2.93Å |
| 7 | W | 44.2 | Very low | 40.3 | Very low | 184 Ų | 184 | 150.5 Ų | 150.5 | 70% | 0.697 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -69.3 | -34.6 | 173.5 | -84.6 | 88.2 | 0 | 0 | 0 | 112.9 | C5 V9 V10 W11 | C5-W7 VanDerWaalsContact C-N 3.35Å; C5-W7 PolarHBondContact O-N 3.43Å; W7-V9 PolarHBondContact O-N 3.05Å; W7-V10 PolarHBondContact O-N 3.31Å; W7-W11 PolarHBondContact O-N 3.49Å |
| 8 | F | 44.9 | Very low | 39.7 | Very low | 145 Ų | 145 | 149.4 Ų | 149.4 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -65.1 | -39.6 | 179.1 | -115.6 | -90.4 | 0 | 0 | 0 | 112.7 | C5 W11 F12 | C5-F8 PolarHBondContact O-N 3.24Å; C5-F8 VanDerWaalsContact O-N 3.14Å; F8-W11 PolarHBondContact O-N 2.76Å; F8-F12 HydrophobicContact CD1-CD2 4.27Å; F8-F12 HydrophobicContact CE1-CD2 4.46Å; F8-F12 HydrophobicContact CE1-CE2 4.36Å; F8-F12 PolarHBondContact O-N 3.47Å |
| 9 | V | 50.5 | Low | 39.3 | Very low | 107 Ų | 107 | 146.8 Ų | 146.8 | 65% | 0.648 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -67.8 | -35.9 | 176 | 178.1 | 0 | 0 | 0 | 0 | 111.7 | C5 W7 S13 | C5-V9 PolarHBondContact O-N 3.14Å; W7-V9 PolarHBondContact O-N 3.05Å; V9-S13 PolarHBondContact O-OG 3.4Å |
| 10 | V | 49.3 | Very low | 39.2 | Very low | 74 Ų | 74 | 144.6 Ų | 144.6 | 45% | 0.448 | 73% | 0.733 | S | S | . | * | H | α-helix | trans | -74.5 | -27.5 | 177.2 | 173.7 | 0 | 0 | 0 | 0 | 112.2 | W6 W7 S13 | W6-V10 WeakPolarHBondContact O-CG2 3.37Å; W6-V10 PolarHBondContact O-N 2.93Å; W7-V10 PolarHBondContact O-N 3.31Å; V10-S13 PolarHBondContact O-OG 3.37Å |
| 11 | W | 40.4 | Very low | 39.4 | Very low | 192 Ų | 192 | 141.9 Ų | 141.9 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -82.2 | -42.1 | 177.1 | -128.1 | 55.4 | 0 | 0 | 0 | 113 | W7 F8 S13 C14 | W7-W11 PolarHBondContact O-N 3.49Å; F8-W11 PolarHBondContact O-N 2.76Å; W11-S13 PolarHBondContact O-N 3.1Å; W11-C14 PolarHBondContact O-N 3.22Å; W11-C14 VanDerWaalsContact O-N 3.1Å |
| 12 | F | 39.5 | Very low | 40.5 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -67.5 | -19.3 | 179.9 | -112.1 | -87.7 | 0 | 0 | 0 | 113.9 | F8 C14 | F8-F12 HydrophobicContact CD1-CD2 4.27Å; F8-F12 HydrophobicContact CE1-CD2 4.46Å; F8-F12 HydrophobicContact CE1-CE2 4.36Å; F8-F12 PolarHBondContact O-N 3.47Å; F12-C14 VanDerWaalsContact C-N 3.27Å; F12-C14 PolarHBondContact O-N 3.29Å |
| 13 | S | 38.4 | Very low | 42 | Very low | 92 Ų | 92 | 132.6 Ų | 132.6 | 64% | 0.643 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 5.6 | 174.1 | 43.2 | 0 | 0 | 0 | 0 | 114.2 | V9 V10 W11 | V9-S13 PolarHBondContact O-OG 3.4Å; V10-S13 PolarHBondContact O-OG 3.37Å; W11-S13 PolarHBondContact O-N 3.1Å |
| 14 | C | 32.7 | Very low | 44 | Very low | 95 Ų | 95 | 122 Ų | 122 | 64% | 0.642 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123 | 18 | -178.2 | -95.1 | 0 | 0 | 0 | 0 | 115.6 | W11 F12 | W11-C14 PolarHBondContact O-N 3.22Å; W11-C14 VanDerWaalsContact O-N 3.1Å; F12-C14 VanDerWaalsContact C-N 3.27Å; F12-C14 PolarHBondContact O-N 3.29Å |
| 15 | S | 30.2 | Very low | 45.7 | Very low | 88 Ų | 88 | 117.6 Ų | 117.6 | 62% | 0.615 | 63% | 0.625 | S | S | * | * | trans | -127.9 | 8 | -178.1 | -61.3 | 0 | 0 | 0 | 0 | 116 | H17 | S15-H17 PolarHBondContact O-N 3.13Å; S15-H17 VanDerWaalsContact O-N 3.13Å | ||
| 16 | I | 34.5 | Very low | 47.2 | Very low | 170 Ų | 170 | 115 Ų | 115 | 87% | 0.872 | 61% | 0.612 | S | S | * | * | trans | -85.8 | 71.9 | 161.9 | -55.4 | -176.5 | 0 | 0 | 0 | 107.7 | V18 | I16-V18 PolarHBondContact O-N 2.91Š| ||
| 17 | H | 28.5 | Very low | 49 | Very low | 177 Ų | 177 | 109.1 Ų | 109.1 | 82% | 0.819 | 59% | 0.59 | S | S | * | * | trans | -98.5 | 79.8 | -174 | -126.7 | -14.4 | 0 | 0 | 0 | 110.4 | S15 | S15-H17 PolarHBondContact O-N 3.13Å; S15-H17 VanDerWaalsContact O-N 3.13Å | ||
| 18 | V | 29.1 | Very low | 50.8 | Low | 131 Ų | 131 | 104.6 Ų | 104.6 | 79% | 0.794 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -140.6 | 122 | 162 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | I16 | I16-V18 PolarHBondContact O-N 2.91Š|
| 19 | A | 32.2 | Very low | 52.7 | Low | 99 Ų | 99 | 97.9 Ų | 97.9 | 82% | 0.818 | 55% | 0.549 | S | S | * | . | trans | 40.8 | 89.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 20 | S | 36.3 | Very low | 54.4 | Low | 102 Ų | 102 | 93.6 Ų | 93.6 | 71% | 0.713 | 52% | 0.523 | S | S | * | . | trans | -80.4 | 132.2 | 175.1 | 51.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 21 | C | 43.5 | Very low | 56 | Low | 89 Ų | 89 | 91.8 Ų | 91.8 | 60% | 0.601 | 51% | 0.51 | S | S | * | . | trans | -123.9 | 98.8 | 161.6 | -77.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 22 | E | 62.7 | Low | 57.8 | Low | 80 Ų | 80 | 90.6 Ų | 90.6 | 37% | 0.374 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 124 | -174.2 | -70.7 | 179.4 | 55.1 | 0 | 0 | 112.3 | N42 C43 S44 | E22-N42 HydrophobicContact CB-CB 4.43Å; E22-N42 VanDerWaalsContact CD-CB 3.46Å; E22-N42 HydrophobicContact CG-CB 4.36Å; E22-N42 WeakPolarHBondContact OE2-CB 3.32Å; E22-N42 PolarHBondContact OE2-ND2 2.8Å; E22-C43 CarbonylContact O-C 3.55Å; E22-C43 WeakPolarHBondContact O-CA 3.41Å; E22-S44 PolarHBondContact O-N 3.4Å |
| 23 | Y | 73.1 | Confident | 59.7 | Low | 105 Ų | 105 | 90.9 Ų | 90.9 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 133.8 | 171.5 | -62.9 | -94.4 | 0 | 0 | 0 | 109.9 | K264 D267 | Y23-K264 PolarHBondContact OH-NZ 3.47Å; Y23-D267 PolarHBondContact OH-OD1 2.84Å; Y23-D267 VanDerWaalsContact OH-OD1 3.05Å |
| 24 | C | 81.7 | Confident | 61.1 | Low | 15 Ų | 15 | 92 Ų | 92 | 10% | 0.101 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 135.9 | -169.9 | -61.8 | 0 | 0 | 0 | 0 | 112.9 | L40 C43 S45 I46 Q47 | C24-L40 HydrophobicContact CB-CD2 4Å; C24-C43 HydrophobicContact CB-CB 3.62Å; C24-C43 WeakPolarHBondContact CB-SG 3.47Å; C24-C43 WeakPolarHBondContact SG-CB 3.43Å; C24-C43 CovalentContact SG-SG 2.01Å; C24-C43 PolarHBondContact SG-SG 2.8Å; C24-S45 PolarHBondContact N-O 3.23Å; C24-I46 CarbonylContact O-C 3.55Å; C24-I46 VanDerWaalsContact O-CA 3.24Å; C24-I46 WeakPolarHBondContact O-CA 3.23Å; C24-Q47 PolarHBondContact O-N 3.47Å |
| 25 | S | 78.8 | Confident | 62.9 | Low | 82 Ų | 82 | 94.4 Ų | 94.4 | 57% | 0.573 | 51% | 0.514 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 136.7 | 179 | -47.3 | 0 | 0 | 0 | 0 | 112.4 | R27 | S25-R27 VanDerWaalsContact O-CZ 3.31Å; S25-R27 PolarHBondContact O-NE 3.38Å; S25-R27 PolarHBondContact O-NH2 3.08Å |
| 26 | G | 76 | Confident | 65 | Low | 23 Ų | 23 | 91.9 Ų | 91.9 | 24% | 0.237 | 50% | 0.495 | C | S | . | . | trans | -56.8 | 146.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q47 T49 | G26-Q47 PolarHBondContact N-O 3.42Å; G26-T49 CarbonylContact C-O 3.58Å; G26-T49 WeakPolarHBondContact CA-O 3.44Å | ||
| 27 | R | 82.3 | Confident | 67.2 | Low | 80 Ų | 80 | 84.6 Ų | 84.6 | 30% | 0.302 | 46% | 0.457 | S | S | . | . | trans | -162.3 | 169.1 | -172.1 | 67.6 | -164 | 72.2 | 158.1 | 6 | 111.6 | S25 V29 S39 T49 T51 | S25-R27 VanDerWaalsContact O-CZ 3.31Å; S25-R27 PolarHBondContact O-NE 3.38Å; S25-R27 PolarHBondContact O-NH2 3.08Å; R27-V29 HydrophobicContact CG-CG2 3.9Å; R27-S39 PolarHBondContact NH1-O 3.08Å; R27-S39 PolarHBondContact NH1-OG 2.97Å; R27-T49 PolarHBondContact N-O 2.94Å; R27-T51 PolarHBondContact O-N 2.7Å | ||
| 28 | L | 82.7 | Confident | 69.5 | Low | 90 Ų | 90 | 79.8 Ų | 79.8 | 47% | 0.471 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 126.4 | 166.8 | -173.1 | 154.1 | 0 | 0 | 0 | 110.5 | D30 T51 R53 | L28-D30 HydrophobicContact CD2-CB 4.18Å; L28-T51 CarbonylContact C-O 3.52Å; L28-T51 WeakPolarHBondContact CA-O 3.19Å; L28-T51 HydrophobicContact CD1-CG2 4.24Å; L28-T51 HydrophobicContact CG-CG2 4.23Å; L28-R53 HydrophobicContact CG-CG 4.47Å |
| 29 | V | 85.6 | Confident | 71.9 | Confident | 3 Ų | 3 | 76.3 Ų | 76.3 | 2% | 0.018 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 100.9 | 179.1 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | R27 L31 L37 L40 L50 T51 I52 R53 | R27-V29 HydrophobicContact CG-CG2 3.9Å; V29-L31 HydrophobicContact CG1-CD2 3.82Å; V29-L31 HydrophobicContact CG1-CG 4.31Å; V29-L37 HydrophobicContact CG1-CD1 4.39Å; V29-L40 HydrophobicContact CG2-CD1 3.72Å; V29-L50 HydrophobicContact CG2-CD1 4.08Å; V29-T51 PolarHBondContact N-O 3.28Å; V29-I52 HydrophobicContact CB-CD1 3.97Å; V29-I52 HydrophobicContact CG2-CD1 4.19Å; V29-R53 PolarHBondContact O-N 3.46Å |
| 30 | D | 84.3 | Confident | 74.3 | Confident | 17 Ų | 17 | 71.6 Ų | 71.6 | 9% | 0.091 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 102.9 | 173.4 | -176 | -6.7 | 0 | 0 | 0 | 109.5 | L28 R32 R33 N54 | L28-D30 HydrophobicContact CD2-CB 4.18Å; D30-R32 PolarHBondContact O-N 2.84Å; D30-R32 WeakPolarHBondContact OD1-CB 3.37Å; D30-R32 IonicContact OD1-CZ 3.86Å; D30-R32 PolarHBondContact OD1-N 3.03Å; D30-R32 IonicContact OD1-NE 2.71Å; D30-R32 PolarHBondContact OD1-NE 3.42Å; D30-R32 IonicContact OD1-NH2 2.71Å; D30-R32 IonicContact OD2-CZ 2.72Å; D30-R32 IonicContact OD2-NE 2.71Å; D30-R32 PolarHBondContact OD2-NE 3.46Å; D30-R32 IonicContact OD2-NH2 3.87Å; D30-R32 PolarHBondContact OD2-NH2 3.38Å; D30-R33 WeakPolarHBondContact O-CB 3.26Å; D30-R33 PolarHBondContact O-N 2.98Å; D30-N54 PolarHBondContact OD1-ND2 3.47Å |
| 31 | L | 83.5 | Confident | 76.5 | Confident | 36 Ų | 36 | 69.1 Ų | 69.1 | 19% | 0.188 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -4.5 | -173 | -66.5 | 171.6 | 0 | 0 | 0 | 114 | V29 R33 L37 I52 R53 L55 F91 | V29-L31 HydrophobicContact CG1-CD2 3.82Å; V29-L31 HydrophobicContact CG1-CG 4.31Å; L31-R33 PolarHBondContact O-N 3.04Å; L31-L37 HydrophobicContact CD2-CD1 4.25Å; L31-I52 HydrophobicContact CD1-CG2 3.61Å; L31-I52 HydrophobicContact CG-CG2 4.26Å; L31-R53 PolarHBondContact N-O 3.03Å; L31-L55 HydrophobicContact CD1-CB 4.15Å; L31-L55 HydrophobicContact CD1-CD1 3.5Å; L31-L55 HydrophobicContact CD1-CG 4.45Å; L31-F91 HydrophobicContact CD1-CE2 4.07Å; L31-F91 HydrophobicContact CD1-CZ 4.13Å |
| 32 | R | 79.4 | Confident | 78.4 | Confident | 168 Ų | 168 | 69 Ų | 69 | 63% | 0.634 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -12.3 | 166.1 | -62.6 | 174.9 | -60.8 | -171 | 2.1 | 113 | D30 N54 | D30-R32 PolarHBondContact O-N 2.84Å; D30-R32 WeakPolarHBondContact OD1-CB 3.37Å; D30-R32 IonicContact OD1-CZ 3.86Å; D30-R32 PolarHBondContact OD1-N 3.03Å; D30-R32 IonicContact OD1-NE 2.71Å; D30-R32 PolarHBondContact OD1-NE 3.42Å; D30-R32 IonicContact OD1-NH2 2.71Å; D30-R32 IonicContact OD2-CZ 2.72Å; D30-R32 IonicContact OD2-NE 2.71Å; D30-R32 PolarHBondContact OD2-NE 3.46Å; D30-R32 IonicContact OD2-NH2 3.87Å; D30-R32 PolarHBondContact OD2-NH2 3.38Å; R32-N54 HydrophobicContact CG-CB 3.66Å; R32-N54 VanDerWaalsContact NE-CG 3.3Å; R32-N54 PolarHBondContact NE-ND2 3.39Å; R32-N54 PolarHBondContact NH1-OD1 3.31Å; R32-N54 PolarHBondContact NH2-ND2 2.8Å |
| 33 | R | 77.6 | Confident | 79.5 | Confident | 167 Ų | 167 | 65.3 Ų | 65.3 | 63% | 0.63 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -100.8 | 124.4 | 176.3 | -61.1 | -179.9 | -173.5 | -176.7 | 2.2 | 108.9 | D30 L31 T36 | D30-R33 WeakPolarHBondContact O-CB 3.26Å; D30-R33 PolarHBondContact O-N 2.98Å; L31-R33 PolarHBondContact O-N 3.04Å; R33-T36 HydrophobicContact CB-CG2 3.63Å; R33-T36 PolarHBondContact O-OG1 3.23Å |
| 34 | P | 68.5 | Low | 80.1 | Confident | 115 Ų | 115 | 61.9 Ų | 61.9 | 75% | 0.747 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 156.1 | 177.3 | 27.8 | -34.8 | 0 | 0 | 0 | 111.2 | T36 | P34-T36 PolarHBondContact O-N 3.14Å; P34-T36 VanDerWaalsContact O-N 3.09Å |
| 35 | N | 70 | Confident | 80.2 | Confident | 145 Ų | 145 | 61.4 Ų | 61.4 | 78% | 0.775 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 15.6 | 176.6 | -57.3 | -5.1 | 0 | 0 | 0 | 115.9 | L37 S38 | N35-L37 VanDerWaalsContact C-N 3.34Å; N35-S38 PolarHBondContact O-OG 2.78Å; N35-S38 VanDerWaalsContact O-OG 3.04Å |
| 36 | T | 75.6 | Confident | 80.4 | Confident | 35 Ų | 35 | 57.5 Ų | 57.5 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -68.7 | -33.5 | 172.7 | 48.6 | 0 | 0 | 0 | 0 | 112.7 | R33 P34 S39 | R33-T36 HydrophobicContact CB-CG2 3.63Å; R33-T36 PolarHBondContact O-OG1 3.23Å; P34-T36 PolarHBondContact O-N 3.14Å; P34-T36 VanDerWaalsContact O-N 3.09Å; T36-S39 PolarHBondContact O-OG 3.31Å |
| 37 | L | 79.6 | Confident | 80.7 | Confident | 17 Ų | 17 | 58 Ų | 58 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -75.8 | -26.7 | -174 | -156.9 | 74.1 | 0 | 0 | 0 | 113.7 | V29 L31 N35 S39 L40 T41 C65 L67 F91 | V29-L37 HydrophobicContact CG1-CD1 4.39Å; L31-L37 HydrophobicContact CD2-CD1 4.25Å; N35-L37 VanDerWaalsContact C-N 3.34Å; L37-S39 PolarHBondContact O-N 3.3Å; L37-S39 VanDerWaalsContact O-N 3.15Å; L37-L40 WeakPolarHBondContact O-CA 3.49Å; L37-L40 PolarHBondContact O-N 2.82Å; L37-T41 PolarHBondContact O-N 2.82Å; L37-C65 HydrophobicContact CD2-CB 3.73Å; L37-L67 HydrophobicContact CD1-CD1 3.94Å; L37-L67 HydrophobicContact CD1-CD2 3.78Å; L37-L67 HydrophobicContact CD1-CG 3.88Å; L37-L67 HydrophobicContact CD2-CD2 4.21Å; L37-L67 HydrophobicContact CD2-CG 4.37Å; L37-L67 HydrophobicContact CG-CD2 3.78Å; L37-L67 HydrophobicContact CG-CG 4.25Å; L37-F91 HydrophobicContact CD1-CE2 4.3Å; L37-F91 HydrophobicContact CD1-CZ 3.89Å; L37-F91 HydrophobicContact CD2-CE2 4.46Å |
| 38 | S | 78.1 | Confident | 80.3 | Confident | 76 Ų | 76 | 54.5 Ų | 54.5 | 53% | 0.531 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -58.4 | -32.3 | -177.3 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | N35 L40 T41 | N35-S38 PolarHBondContact O-OG 2.78Å; N35-S38 VanDerWaalsContact O-OG 3.04Å; S38-L40 PolarHBondContact O-N 3.04Å; S38-T41 PolarHBondContact O-N 2.75Å; S38-T41 PolarHBondContact O-OG1 3.05Å; S38-T41 VanDerWaalsContact O-OG1 3.11Å |
| 39 | S | 78 | Confident | 80.3 | Confident | 59 Ų | 59 | 52 Ų | 52 | 41% | 0.413 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -68.9 | 3.5 | 173.7 | 72.8 | 0 | 0 | 0 | 0 | 114.9 | R27 T36 L37 | R27-S39 PolarHBondContact NH1-O 3.08Å; R27-S39 PolarHBondContact NH1-OG 2.97Å; T36-S39 PolarHBondContact O-OG 3.31Å; L37-S39 PolarHBondContact O-N 3.3Å; L37-S39 VanDerWaalsContact O-N 3.15Å |
| 40 | L | 84.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -132.9 | -9.6 | 177 | -68.5 | 178.1 | 0 | 0 | 0 | 114.2 | C24 V29 L37 S38 N42 C43 I46 L50 L67 | C24-L40 HydrophobicContact CB-CD2 4Å; V29-L40 HydrophobicContact CG2-CD1 3.72Å; L37-L40 WeakPolarHBondContact O-CA 3.49Å; L37-L40 PolarHBondContact O-N 2.82Å; S38-L40 PolarHBondContact O-N 3.04Å; L40-N42 PolarHBondContact O-N 2.03Å; L40-C43 WeakPolarHBondContact CA-SG 3.42Å; L40-C43 WeakPolarHBondContact O-CB 3.47Å; L40-C43 PolarHBondContact O-N 3.45Å; L40-C43 PolarHBondContact O-SG 2.75Å; L40-I46 HydrophobicContact CD1-CD1 4.42Å; L40-I46 HydrophobicContact CD2-CD1 3.97Å; L40-I46 HydrophobicContact CD2-CG1 4.36Å; L40-L50 HydrophobicContact CD1-CD1 3.74Å; L40-L67 HydrophobicContact CB-CD2 3.73Å |
| 41 | T | 82.2 | Confident | 80.7 | Confident | 50 Ų | 50 | 51.6 Ų | 51.6 | 31% | 0.307 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -33.6 | -169.1 | 44.6 | 0 | 0 | 0 | 0 | 114.4 | L37 S38 N69 | L37-T41 PolarHBondContact O-N 2.82Å; S38-T41 PolarHBondContact O-N 2.75Å; S38-T41 PolarHBondContact O-OG1 3.05Å; S38-T41 VanDerWaalsContact O-OG1 3.11Å; T41-N69 PolarHBondContact O-ND2 2.97Å |
| 42 | N | 83.4 | Confident | 80.9 | Confident | 87 Ų | 87 | 49.9 Ų | 49.9 | 47% | 0.465 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -10.2 | -178.8 | -63.3 | 11.4 | 0 | 0 | 0 | 113.1 | E22 L40 | E22-N42 HydrophobicContact CB-CB 4.43Å; E22-N42 VanDerWaalsContact CD-CB 3.46Å; E22-N42 HydrophobicContact CG-CB 4.36Å; E22-N42 WeakPolarHBondContact OE2-CB 3.32Å; E22-N42 PolarHBondContact OE2-ND2 2.8Å; L40-N42 PolarHBondContact O-N 2.03Å |
| 43 | C | 85.4 | Confident | 81.3 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 132.4 | -165 | -52.1 | 0 | 0 | 0 | 0 | 111.8 | E22 C24 L40 I46 N69 V70 | E22-C43 CarbonylContact O-C 3.55Å; E22-C43 WeakPolarHBondContact O-CA 3.41Å; C24-C43 HydrophobicContact CB-CB 3.62Å; C24-C43 WeakPolarHBondContact CB-SG 3.47Å; C24-C43 WeakPolarHBondContact SG-CB 3.43Å; C24-C43 CovalentContact SG-SG 2.01Å; C24-C43 PolarHBondContact SG-SG 2.8Å; L40-C43 WeakPolarHBondContact CA-SG 3.42Å; L40-C43 WeakPolarHBondContact O-CB 3.47Å; L40-C43 PolarHBondContact O-N 3.45Å; L40-C43 PolarHBondContact O-SG 2.75Å; C43-I46 HydrophobicContact CB-CG1 4.49Å; C43-N69 CarbonylContact O-C 3.6Å; C43-N69 WeakPolarHBondContact O-CB 3.05Å; C43-V70 WeakPolarHBondContact O-CA 3.48Å; C43-V70 WeakPolarHBondContact O-CG2 3.39Å; C43-V70 PolarHBondContact O-N 3.26Å |
| 44 | S | 84.9 | Confident | 81.8 | Confident | 32 Ų | 32 | 37.1 Ų | 37.1 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -35.6 | 177.1 | 60.6 | 0 | 0 | 0 | 0 | 113.4 | E22 N69 V71 E72 | E22-S44 PolarHBondContact O-N 3.4Å; S44-N69 WeakPolarHBondContact CA-O 3.4Å; S44-V71 PolarHBondContact O-N 2.92Å; S44-E72 PolarHBondContact O-N 3.39Å |
| 45 | S | 83.3 | Confident | 82.7 | Confident | 6 Ų | 6 | 31.7 Ų | 31.7 | 4% | 0.042 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 130.5 | 176.7 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | C24 Q47 E72 | C24-S45 PolarHBondContact N-O 3.23Å; S45-Q47 PolarHBondContact OG-NE2 2.9Å; S45-E72 WeakPolarHBondContact CA-O 3.26Å; S45-E72 WeakPolarHBondContact CB-OE2 3.39Å; S45-E72 PolarHBondContact OG-OE2 3.31Å |
| 46 | I | 85 | Confident | 83.4 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 115.1 | 178.3 | -65.5 | 177.9 | 0 | 0 | 0 | 109.8 | C24 L40 C43 L50 V70 E72 I73 T74 | C24-I46 CarbonylContact O-C 3.55Å; C24-I46 VanDerWaalsContact O-CA 3.24Å; C24-I46 WeakPolarHBondContact O-CA 3.23Å; L40-I46 HydrophobicContact CD1-CD1 4.42Å; L40-I46 HydrophobicContact CD2-CD1 3.97Å; L40-I46 HydrophobicContact CD2-CG1 4.36Å; C43-I46 HydrophobicContact CB-CG1 4.49Å; I46-L50 HydrophobicContact CD1-CD1 4.47Å; I46-L50 HydrophobicContact CD1-CD2 3.74Å; I46-L50 HydrophobicContact CG2-CB 4.28Å; I46-V70 HydrophobicContact CD1-CG1 3.93Å; I46-V70 HydrophobicContact CD1-CG2 3.7Å; I46-V70 HydrophobicContact CG1-CG1 4.25Å; I46-V70 HydrophobicContact CG1-CG2 4.25Å; I46-E72 PolarHBondContact N-O 2.61Å; I46-I73 HydrophobicContact CB-CG1 4.28Å; I46-I73 WeakPolarHBondContact O-CA 3.41Å; I46-T74 PolarHBondContact O-N 2.85Å; I46-T74 PolarHBondContact O-OG1 3.32Å |
| 47 | Q | 80.8 | Confident | 83.9 | Confident | 34 Ų | 34 | 25.7 Ų | 25.7 | 16% | 0.159 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 109.1 | -171.7 | -64.5 | -67.8 | -46.2 | 0 | 0 | 111 | C24 G26 S45 T74 Y284 | C24-Q47 PolarHBondContact O-N 3.47Å; G26-Q47 PolarHBondContact N-O 3.42Å; S45-Q47 PolarHBondContact OG-NE2 2.9Å; Q47-T74 WeakPolarHBondContact CA-OG1 3.24Å; Q47-Y284 PolarHBondContact NE2-OH 2.98Å; Q47-Y284 PolarHBondContact OE1-OH 3.04Å; Q47-Y284 VanDerWaalsContact OE1-OH 3.07Å |
| 48 | G | 75.2 | Confident | 83.9 | Confident | 5 Ų | 5 | 27.1 Ų | 27.1 | 5% | 0.052 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 94.3 | -168.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T74 G75 | G48-T74 PolarHBondContact N-OG1 2.77Å; G48-G75 VanDerWaalsContact C-CA 3.49Å; G48-G75 WeakPolarHBondContact O-CA 3Å; G48-G75 PolarHBondContact O-N 3.17Å; G48-G75 VanDerWaalsContact O-N 3.14Å |
| 49 | T | 82 | Confident | 84 | Confident | 38 Ų | 38 | 23.8 Ų | 23.8 | 23% | 0.233 | 14% | 0.14 | C | C | . | . | trans | -79.5 | 135.9 | -171.9 | -68.7 | 0 | 0 | 0 | 0 | 112.8 | G26 R27 S76 I78 | G26-T49 CarbonylContact C-O 3.58Å; G26-T49 WeakPolarHBondContact CA-O 3.44Å; R27-T49 PolarHBondContact N-O 2.94Å; T49-S76 CarbonylContact C-O 3.52Å; T49-S76 WeakPolarHBondContact CA-O 3.33Å; T49-S76 WeakPolarHBondContact CG2-O 3.04Å; T49-S76 PolarHBondContact OG1-N 2.83Å; T49-S76 VanDerWaalsContact OG1-N 3.13Å; T49-I78 HydrophobicContact CG2-CD1 3.78Å; T49-I78 HydrophobicContact CG2-CG1 4.08Å | ||
| 50 | L | 88.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 118.3 | 178.3 | -179.7 | 64.6 | 0 | 0 | 0 | 110.3 | V29 L40 I46 I52 I73 S76 L77 I78 F92 | V29-L50 HydrophobicContact CG2-CD1 4.08Å; L40-L50 HydrophobicContact CD1-CD1 3.74Å; I46-L50 HydrophobicContact CD1-CD1 4.47Å; I46-L50 HydrophobicContact CD1-CD2 3.74Å; I46-L50 HydrophobicContact CG2-CB 4.28Å; L50-I52 HydrophobicContact CD1-CD1 4Å; L50-I52 HydrophobicContact CD2-CD1 4.13Å; L50-I52 HydrophobicContact CG-CD1 3.87Å; L50-I52 HydrophobicContact CG-CG1 4.41Å; L50-I73 HydrophobicContact CB-CD1 4.41Å; L50-I73 HydrophobicContact CB-CG2 4.47Å; L50-I73 HydrophobicContact CD2-CD1 3.86Å; L50-I73 HydrophobicContact CD2-CG1 4.48Å; L50-S76 PolarHBondContact N-O 2.87Å; L50-L77 HydrophobicContact CB-CD1 4.45Å; L50-L77 HydrophobicContact CD2-CD1 4.25Å; L50-L77 HydrophobicContact CG-CD1 4.4Å; L50-I78 PolarHBondContact O-N 2.89Å; L50-F92 HydrophobicContact CD2-CE1 3.94Å; L50-F92 HydrophobicContact CD2-CZ 3.66Å |
| 51 | T | 88.7 | Confident | 83.7 | Confident | 11 Ų | 11 | 24.5 Ų | 24.5 | 7% | 0.067 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 99.3 | -177.2 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | R27 L28 V29 R53 I78 L803 | R27-T51 PolarHBondContact O-N 2.7Å; L28-T51 CarbonylContact C-O 3.52Å; L28-T51 WeakPolarHBondContact CA-O 3.19Å; L28-T51 HydrophobicContact CD1-CG2 4.24Å; L28-T51 HydrophobicContact CG-CG2 4.23Å; V29-T51 PolarHBondContact N-O 3.28Å; T51-R53 HydrophobicContact CG2-CG 4.09Å; T51-I78 CarbonylContact C-O 3.56Å; T51-I78 WeakPolarHBondContact CA-O 2.99Å; T51-I78 HydrophobicContact CG2-CB 4.07Å; T51-I78 HydrophobicContact CG2-CG2 3.96Å; T51-L803 HydrophobicContact CG2-CD2 4.33Å |
| 52 | I | 89.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 124.2 | 175.5 | -49 | -57.3 | 0 | 0 | 0 | 109.3 | V29 L31 L50 L55 L77 I78 V79 E80 F91 F92 | V29-I52 HydrophobicContact CB-CD1 3.97Å; V29-I52 HydrophobicContact CG2-CD1 4.19Å; L31-I52 HydrophobicContact CD1-CG2 3.61Å; L31-I52 HydrophobicContact CG-CG2 4.26Å; L50-I52 HydrophobicContact CD1-CD1 4Å; L50-I52 HydrophobicContact CD2-CD1 4.13Å; L50-I52 HydrophobicContact CG-CD1 3.87Å; L50-I52 HydrophobicContact CG-CG1 4.41Å; I52-L55 HydrophobicContact CG2-CB 4.19Å; I52-L55 HydrophobicContact CG2-CD1 4.45Å; I52-L77 HydrophobicContact CG1-CD1 4.38Å; I52-I78 PolarHBondContact N-O 2.81Å; I52-V79 HydrophobicContact CB-CG2 4.43Å; I52-V79 CarbonylContact O-C 3.52Å; I52-V79 VanDerWaalsContact O-CA 3.31Å; I52-V79 WeakPolarHBondContact O-CA 3.48Å; I52-E80 PolarHBondContact O-N 2.82Å; I52-F91 HydrophobicContact CD1-CE1 3.91Å; I52-F91 HydrophobicContact CD1-CZ 4.17Å; I52-F91 HydrophobicContact CG1-CE1 3.89Å; I52-F91 HydrophobicContact CG1-CZ 4.46Å; I52-F91 HydrophobicContact CG2-CE1 4.19Å; I52-F91 HydrophobicContact CG2-CZ 4.17Å; I52-F92 HydrophobicContact CG1-CZ 4.29Å |
| 53 | R | 88.3 | Confident | 82.4 | Confident | 37 Ų | 37 | 26.6 Ų | 26.6 | 14% | 0.14 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 141.5 | 176.3 | -61.3 | -170.3 | 67.2 | 155.3 | 6.6 | 111.6 | L28 V29 L31 T51 L55 E80 N81 L803 | L28-R53 HydrophobicContact CG-CG 4.47Å; V29-R53 PolarHBondContact O-N 3.46Å; L31-R53 PolarHBondContact N-O 3.03Å; T51-R53 HydrophobicContact CG2-CG 4.09Å; R53-L55 VanDerWaalsContact C-N 3.35Å; R53-E80 WeakPolarHBondContact CA-O 3.29Å; R53-E80 HydrophobicContact CG-CB 4.3Å; R53-E80 IonicContact CZ-OE2 3.73Å; R53-E80 IonicContact NE-OE2 3.31Å; R53-E80 PolarHBondContact NE-OE2 3.47Å; R53-E80 VanDerWaalsContact NE-OE2 3.16Å; R53-E80 IonicContact NH1-OE2 2.97Å; R53-E80 PolarHBondContact NH1-OE2 3.04Å; R53-E80 IonicContact NH2-OE2 3.44Å; R53-E80 PolarHBondContact NH2-OE2 3.09Å; R53-N81 PolarHBondContact NH2-ND2 2.04Å; R53-N81 VanDerWaalsContact NH2-ND2 3.11Å; R53-L803 PolarHBondContact NH1-O 2.98Å |
| 54 | N | 86.3 | Confident | 81.7 | Confident | 31 Ų | 31 | 35.8 Ų | 35.8 | 17% | 0.166 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 63.4 | 34.4 | 176.4 | -47 | -88.5 | 0 | 0 | 0 | 114.1 | D30 R32 D56 E80 | D30-N54 PolarHBondContact OD1-ND2 3.47Å; R32-N54 HydrophobicContact CG-CB 3.66Å; R32-N54 VanDerWaalsContact NE-CG 3.3Å; R32-N54 PolarHBondContact NE-ND2 3.39Å; R32-N54 PolarHBondContact NH1-OD1 3.31Å; R32-N54 PolarHBondContact NH2-ND2 2.8Å; N54-D56 PolarHBondContact O-N 3.05Å; N54-E80 PolarHBondContact N-O 3.2Å |
| 55 | L | 87.5 | Confident | 81.4 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | trans | -56.2 | 127.4 | 171.3 | -175.7 | 67.2 | 0 | 0 | 0 | 110.6 | L31 I52 R53 C59 V79 G82 N83 C84 L88 F91 | L31-L55 HydrophobicContact CD1-CB 4.15Å; L31-L55 HydrophobicContact CD1-CD1 3.5Å; L31-L55 HydrophobicContact CD1-CG 4.45Å; I52-L55 HydrophobicContact CG2-CB 4.19Å; I52-L55 HydrophobicContact CG2-CD1 4.45Å; R53-L55 VanDerWaalsContact C-N 3.35Å; L55-C59 HydrophobicContact CD1-CB 3.7Å; L55-V79 HydrophobicContact CD2-CG1 4.16Å; L55-G82 CarbonylContact O-C 3.4Å; L55-G82 VanDerWaalsContact O-C 3.27Å; L55-G82 WeakPolarHBondContact O-CA 3.41Å; L55-N83 PolarHBondContact O-N 3.31Å; L55-C84 HydrophobicContact CD2-CB 4.43Å; L55-C84 HydrophobicContact CG-CB 4.02Å; L55-C84 WeakPolarHBondContact O-CB 3.48Å; L55-C84 PolarHBondContact O-N 3.11Å; L55-L88 HydrophobicContact CD2-CD2 3.43Å; L55-L88 VanDerWaalsContact CD2-CD2 3.43Å; L55-F91 HydrophobicContact CD1-CD2 3.65Å; L55-F91 HydrophobicContact CD1-CE2 3.76Å; L55-F91 HydrophobicContact CD1-CG 4.05Å; L55-F91 HydrophobicContact CD1-CZ 4.28Å | ||
| 56 | D | 85.3 | Confident | 81.5 | Confident | 26 Ų | 26 | 37.5 Ų | 37.5 | 14% | 0.139 | 20% | 0.195 | C | C | . | . | trans | -127 | 178.2 | -178.3 | 98.9 | -17 | 0 | 0 | 0 | 112.8 | N54 S58 C59 C60 R1157 | N54-D56 PolarHBondContact O-N 3.05Å; D56-S58 PolarHBondContact O-N 3.31Å; D56-S58 VanDerWaalsContact O-N 3.11Å; D56-S58 WeakPolarHBondContact OD1-CB 3.46Å; D56-S58 PolarHBondContact OD1-N 2.01Å; D56-S58 PolarHBondContact OD1-OG 2.84Å; D56-C59 PolarHBondContact O-N 2.93Å; D56-C59 VanDerWaalsContact O-N 3.15Å; D56-C60 PolarHBondContact O-N 3.05Å; D56-R1157 IonicContact OD2-CZ 2.72Å; D56-R1157 IonicContact OD2-NH1 3.42Å; D56-R1157 PolarHBondContact OD2-NH1 2.96Å; D56-R1157 IonicContact OD2-NH2 2.76Å; D56-R1157 PolarHBondContact OD2-NH2 3.47Å | ||
| 57 | D | 85.2 | Confident | 81.6 | Confident | 27 Ų | 27 | 37.5 Ų | 37.5 | 14% | 0.144 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.8 | -26.2 | -174.6 | -73.4 | -25.5 | 0 | 0 | 0 | 114.1 | C59 C60 L61 E62 S85 R1153 | D57-C59 PolarHBondContact O-N 3.05Å; D57-C60 PolarHBondContact O-N 2.85Å; D57-L61 HydrophobicContact CB-CD1 3.88Å; D57-L61 HydrophobicContact CB-CG 4.17Å; D57-L61 WeakPolarHBondContact O-CA 3.11Å; D57-L61 WeakPolarHBondContact O-CB 3.2Å; D57-L61 PolarHBondContact O-N 3.15Å; D57-E62 PolarHBondContact O-N 2.67Å; D57-S85 VanDerWaalsContact CG-OG 3.31Å; D57-S85 PolarHBondContact OD1-N 3.38Å; D57-S85 PolarHBondContact OD1-OG 2.99Å; D57-S85 PolarHBondContact OD2-OG 2.87Å; D57-R1153 IonicContact OD2-CZ 2.71Å; D57-R1153 IonicContact OD2-NH1 3.77Å; D57-R1153 PolarHBondContact OD2-NH1 2.9Å; D57-R1153 IonicContact OD2-NH2 3.11Å |
| 58 | S | 80.2 | Confident | 81.9 | Confident | 47 Ų | 47 | 38 Ų | 38 | 33% | 0.329 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.4 | -15.3 | -179.9 | 66 | 0 | 0 | 0 | 0 | 114.2 | D56 C65 | D56-S58 PolarHBondContact O-N 3.31Å; D56-S58 VanDerWaalsContact O-N 3.11Å; D56-S58 WeakPolarHBondContact OD1-CB 3.46Å; D56-S58 PolarHBondContact OD1-N 2.01Å; D56-S58 PolarHBondContact OD1-OG 2.84Å; S58-C65 VanDerWaalsContact C-SG 3.58Å; S58-C65 PolarHBondContact O-SG 2.82Å |
| 59 | C | 81.2 | Confident | 82.5 | Confident | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -116.1 | -10.4 | 178.5 | -48.1 | 0 | 0 | 0 | 0 | 113.8 | L55 D56 D57 C65 F91 | L55-C59 HydrophobicContact CD1-CB 3.7Å; D56-C59 PolarHBondContact O-N 2.93Å; D56-C59 VanDerWaalsContact O-N 3.15Å; D57-C59 PolarHBondContact O-N 3.05Å; C59-C65 WeakPolarHBondContact CA-SG 3.09Å; C59-C65 HydrophobicContact CB-CB 3.82Å; C59-C65 WeakPolarHBondContact CB-SG 3.07Å; C59-C65 WeakPolarHBondContact SG-CB 3.37Å; C59-C65 CovalentContact SG-SG 2.04Å; C59-C65 PolarHBondContact SG-SG 3.28Å; C59-F91 HydrophobicContact CB-CD2 3.72Å; C59-F91 HydrophobicContact CB-CE2 3.99Å |
| 60 | C | 78.3 | Confident | 82.8 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.014 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -106.5 | -34.4 | 176.4 | -70.4 | 0 | 0 | 0 | 0 | 113.7 | D56 D57 C84 D87 K90 | D56-C60 PolarHBondContact O-N 3.05Å; D57-C60 PolarHBondContact O-N 2.85Å; C60-C84 HydrophobicContact CB-CB 3.93Å; C60-C84 WeakPolarHBondContact CB-SG 3.15Å; C60-C84 WeakPolarHBondContact SG-CB 3.5Å; C60-C84 CovalentContact SG-SG 2.02Å; C60-C84 PolarHBondContact SG-SG 2.88Å; C60-D87 PolarHBondContact SG-O 2.91Å; C60-K90 WeakPolarHBondContact O-CB 3.45Å; C60-K90 VanDerWaalsContact O-CD 3.27Å; C60-K90 WeakPolarHBondContact O-CD 3.28Å; C60-K90 VanDerWaalsContact O-CG 3.31Å; C60-K90 WeakPolarHBondContact O-CG 3.04Å |
| 61 | L | 77.5 | Confident | 82.7 | Confident | 72 Ų | 72 | 41.1 Ų | 41.1 | 38% | 0.377 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -32.6 | -178.8 | -57.5 | -175.3 | 0 | 0 | 0 | 111.2 | D57 K90 | D57-L61 HydrophobicContact CB-CD1 3.88Å; D57-L61 HydrophobicContact CB-CG 4.17Å; D57-L61 WeakPolarHBondContact O-CA 3.11Å; D57-L61 WeakPolarHBondContact O-CB 3.2Å; D57-L61 PolarHBondContact O-N 3.15Å; L61-K90 PolarHBondContact O-NZ 2.83Å |
| 62 | E | 71.7 | Confident | 82.6 | Confident | 103 Ų | 103 | 41.1 Ų | 41.1 | 48% | 0.481 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -107.2 | 154 | 175 | -58.1 | -178.6 | 159.5 | 0 | 0 | 111.1 | D57 Y64 | D57-E62 PolarHBondContact O-N 2.67Å; E62-Y64 VanDerWaalsContact C-N 3.34Å; E62-Y64 HydrophobicContact CB-CD2 3.66Å; E62-Y64 HydrophobicContact CB-CE2 3.88Å; E62-Y64 HydrophobicContact CG-CE2 4.35Å; E62-Y64 PolarHBondContact O-N 2.94Å; E62-Y64 WeakPolarHBondContact OE2-CD2 3.48Å; E62-Y64 WeakPolarHBondContact OE2-CE2 3.14Å |
| 63 | S | 66.5 | Low | 82.5 | Confident | 78 Ų | 78 | 41.1 Ų | 41.1 | 55% | 0.545 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -87 | 2.6 | -169.9 | -50.6 | 0 | 0 | 0 | 0 | 114.4 | C65 N66 | S63-C65 VanDerWaalsContact C-N 3.34Å; S63-C65 PolarHBondContact O-N 2.82Å; S63-N66 PolarHBondContact O-ND2 3.05Å |
| 64 | Y | 70.7 | Confident | 82.1 | Confident | 195 Ų | 195 | 39.4 Ų | 39.4 | 77% | 0.765 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -20.5 | -165.2 | -60.3 | -63.1 | 0 | 0 | 0 | 115.1 | E62 | E62-Y64 VanDerWaalsContact C-N 3.34Å; E62-Y64 HydrophobicContact CB-CD2 3.66Å; E62-Y64 HydrophobicContact CB-CE2 3.88Å; E62-Y64 HydrophobicContact CG-CE2 4.35Å; E62-Y64 PolarHBondContact O-N 2.94Å; E62-Y64 WeakPolarHBondContact OE2-CD2 3.48Å; E62-Y64 WeakPolarHBondContact OE2-CE2 3.14Å |
| 65 | C | 79 | Confident | 81.7 | Confident | 24 Ų | 24 | 38 Ų | 38 | 16% | 0.162 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.9 | 55.5 | 179.2 | 25.3 | 0 | 0 | 0 | 0 | 111.1 | L37 S58 C59 S63 F91 | L37-C65 HydrophobicContact CD2-CB 3.73Å; S58-C65 VanDerWaalsContact C-SG 3.58Å; S58-C65 PolarHBondContact O-SG 2.82Å; C59-C65 WeakPolarHBondContact CA-SG 3.09Å; C59-C65 HydrophobicContact CB-CB 3.82Å; C59-C65 WeakPolarHBondContact CB-SG 3.07Å; C59-C65 WeakPolarHBondContact SG-CB 3.37Å; C59-C65 CovalentContact SG-SG 2.04Å; C59-C65 PolarHBondContact SG-SG 3.28Å; S63-C65 VanDerWaalsContact C-N 3.34Å; S63-C65 PolarHBondContact O-N 2.82Å; C65-F91 WeakPolarHBondContact O-CD2 3.36Å; C65-F91 WeakPolarHBondContact O-CE2 3.1Å |
| 66 | N | 83.7 | Confident | 81.5 | Confident | 51 Ų | 51 | 38 Ų | 38 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | trans | -86.8 | 157.8 | 171 | 73.7 | 77.9 | 0 | 0 | 0 | 111.8 | S63 S68 K90 | S63-N66 PolarHBondContact O-ND2 3.05Å; N66-S68 WeakPolarHBondContact OD1-CB 3.04Å; N66-S68 PolarHBondContact OD1-N 2.91Å; N66-S68 PolarHBondContact OD1-OG 2.6Å; N66-S68 VanDerWaalsContact OD1-OG 3.07Å; N66-K90 WeakPolarHBondContact CB-O 2.99Å | ||
| 67 | L | 88.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -112.3 | 58.5 | 167.8 | -71.6 | 176.2 | 0 | 0 | 0 | 109.5 | L37 L40 N69 V70 F91 F92 | L37-L67 HydrophobicContact CD1-CD1 3.94Å; L37-L67 HydrophobicContact CD1-CD2 3.78Å; L37-L67 HydrophobicContact CD1-CG 3.88Å; L37-L67 HydrophobicContact CD2-CD2 4.21Å; L37-L67 HydrophobicContact CD2-CG 4.37Å; L37-L67 HydrophobicContact CG-CD2 3.78Å; L37-L67 HydrophobicContact CG-CG 4.25Å; L40-L67 HydrophobicContact CB-CD2 3.73Å; L67-N69 PolarHBondContact O-N 2.78Å; L67-V70 HydrophobicContact CB-CB 4.27Å; L67-V70 HydrophobicContact CB-CG2 3.86Å; L67-V70 HydrophobicContact CD1-CG2 4.46Å; L67-V70 PolarHBondContact O-N 3.39Å; L67-F91 HydrophobicContact CD1-CE1 4.04Å; L67-F91 HydrophobicContact CD1-CZ 4.22Å; L67-F91 PolarHBondContact N-O 3.03Å; L67-F92 HydrophobicContact CB-CD1 4.2Å; L67-F92 HydrophobicContact CB-CE1 4.26Å; L67-F92 HydrophobicContact CD1-CD1 4.35Å; L67-F92 HydrophobicContact CD1-CE1 3.61Å; L67-F92 HydrophobicContact CD1-CZ 4.22Å | ||
| 68 | S | 86.2 | Confident | 81.9 | Confident | 45 Ų | 45 | 35.6 Ų | 35.6 | 32% | 0.315 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.6 | -172.5 | 57 | 0 | 0 | 0 | 0 | 115.2 | N66 N94 | N66-S68 WeakPolarHBondContact OD1-CB 3.04Å; N66-S68 PolarHBondContact OD1-N 2.91Å; N66-S68 PolarHBondContact OD1-OG 2.6Å; N66-S68 VanDerWaalsContact OD1-OG 3.07Å; S68-N94 PolarHBondContact O-ND2 2.71Å |
| 69 | N | 87.6 | Confident | 82.4 | Confident | 80 Ų | 80 | 33.4 Ų | 33.4 | 43% | 0.428 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -22.3 | 177.1 | -67.6 | -48.1 | 0 | 0 | 0 | 112.9 | T41 C43 S44 L67 V71 | T41-N69 PolarHBondContact O-ND2 2.97Å; C43-N69 CarbonylContact O-C 3.6Å; C43-N69 WeakPolarHBondContact O-CB 3.05Å; S44-N69 WeakPolarHBondContact CA-O 3.4Å; L67-N69 PolarHBondContact O-N 2.78Å; N69-V71 WeakPolarHBondContact O-CG2 3.36Å; N69-V71 PolarHBondContact O-N 3.21Å |
| 70 | V | 88.9 | Confident | 82.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -74.4 | 115.5 | -173.4 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | C43 I46 L67 I73 N94 L95 | C43-V70 WeakPolarHBondContact O-CA 3.48Å; C43-V70 WeakPolarHBondContact O-CG2 3.39Å; C43-V70 PolarHBondContact O-N 3.26Å; I46-V70 HydrophobicContact CD1-CG1 3.93Å; I46-V70 HydrophobicContact CD1-CG2 3.7Å; I46-V70 HydrophobicContact CG1-CG1 4.25Å; I46-V70 HydrophobicContact CG1-CG2 4.25Å; L67-V70 HydrophobicContact CB-CB 4.27Å; L67-V70 HydrophobicContact CB-CG2 3.86Å; L67-V70 HydrophobicContact CD1-CG2 4.46Å; L67-V70 PolarHBondContact O-N 3.39Å; V70-I73 HydrophobicContact CG1-CG1 4.32Å; V70-N94 CarbonylContact O-C 3.21Å; V70-L95 HydrophobicContact CG1-CD1 4.39Å; V70-L95 PolarHBondContact O-N 2.04Å | ||
| 71 | V | 86.7 | Confident | 82.8 | Confident | 28 Ų | 28 | 35.9 Ų | 35.9 | 17% | 0.17 | 19% | 0.187 | C | C | . | . | trans | -110.3 | -27.6 | 178.7 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | S44 N69 N94 T96 I97 L258 | S44-V71 PolarHBondContact O-N 2.92Å; N69-V71 WeakPolarHBondContact O-CG2 3.36Å; N69-V71 PolarHBondContact O-N 3.21Å; V71-N94 HydrophobicContact CG2-CB 4.3Å; V71-T96 PolarHBondContact O-N 2.8Å; V71-I97 PolarHBondContact O-N 3.44Å; V71-L258 HydrophobicContact CG1-CB 4.37Å; V71-L258 HydrophobicContact CG1-CD1 3.41Å; V71-L258 VanDerWaalsContact CG1-CD1 3.41Å; V71-L258 HydrophobicContact CG1-CD2 3.9Å; V71-L258 HydrophobicContact CG1-CG 4.09Å | ||
| 72 | E | 85.5 | Confident | 82.8 | Confident | 11 Ų | 11 | 32.6 Ų | 32.6 | 5% | 0.051 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 139.6 | -178.2 | -176.8 | -175.6 | -125.7 | 0 | 0 | 112 | S44 S45 I46 T74 I97 R99 S259 | S44-E72 PolarHBondContact O-N 3.39Å; S45-E72 WeakPolarHBondContact CA-O 3.26Å; S45-E72 WeakPolarHBondContact CB-OE2 3.39Å; S45-E72 PolarHBondContact OG-OE2 3.31Å; I46-E72 PolarHBondContact N-O 2.61Å; E72-T74 HydrophobicContact CG-CG2 4.1Å; E72-I97 WeakPolarHBondContact CA-O 3.26Å; E72-I97 HydrophobicContact CG-CB 4.3Å; E72-I97 HydrophobicContact CG-CG2 4.28Å; E72-R99 IonicContact OE1-CZ 3.83Å; E72-R99 IonicContact OE1-NE 3.01Å; E72-R99 IonicContact OE1-NH1 2.85Å; E72-R99 PolarHBondContact OE1-NH1 3.06Å; E72-S259 WeakPolarHBondContact OE1-CB 3.47Å; E72-S259 PolarHBondContact OE1-OG 2.76Å |
| 73 | I | 87.4 | Confident | 83.4 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 119.9 | 161.2 | -62.7 | 169.2 | 0 | 0 | 0 | 107.3 | I46 L50 V70 L77 F92 L95 I97 I98 R99 | I46-I73 HydrophobicContact CB-CG1 4.28Å; I46-I73 WeakPolarHBondContact O-CA 3.41Å; L50-I73 HydrophobicContact CB-CD1 4.41Å; L50-I73 HydrophobicContact CB-CG2 4.47Å; L50-I73 HydrophobicContact CD2-CD1 3.86Å; L50-I73 HydrophobicContact CD2-CG1 4.48Å; V70-I73 HydrophobicContact CG1-CG1 4.32Å; I73-L77 HydrophobicContact CD1-CB 4.01Å; I73-L77 HydrophobicContact CD1-CD1 4.03Å; I73-L77 HydrophobicContact CD1-CD2 4.26Å; I73-L77 HydrophobicContact CD1-CG 4.31Å; I73-F92 HydrophobicContact CD1-CE1 4.43Å; I73-F92 HydrophobicContact CD1-CZ 4.44Å; I73-L95 HydrophobicContact CB-CD1 4.49Å; I73-L95 HydrophobicContact CD1-CD1 4Å; I73-L95 HydrophobicContact CD1-CD2 3.82Å; I73-L95 HydrophobicContact CG1-CD1 3.88Å; I73-I97 PolarHBondContact N-O 3.13Å; I73-I98 HydrophobicContact CB-CG2 4.33Å; I73-I98 HydrophobicContact CG2-CG2 4.42Å; I73-I98 CarbonylContact O-C 3.34Å; I73-I98 VanDerWaalsContact O-CA 3.27Å; I73-I98 WeakPolarHBondContact O-CA 3.41Å; I73-R99 PolarHBondContact O-N 2.85Å |
| 74 | T | 80.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -82.5 | -29.5 | -176.6 | 64.5 | 0 | 0 | 0 | 0 | 113.3 | I46 Q47 G48 E72 R99 S100 Q101 I103 | I46-T74 PolarHBondContact O-N 2.85Å; I46-T74 PolarHBondContact O-OG1 3.32Å; Q47-T74 WeakPolarHBondContact CA-OG1 3.24Å; G48-T74 PolarHBondContact N-OG1 2.77Å; E72-T74 HydrophobicContact CG-CG2 4.1Å; T74-R99 CarbonylContact O-C 3.59Å; T74-R99 WeakPolarHBondContact O-CB 3.46Å; T74-S100 CarbonylContact O-C 3.55Å; T74-S100 PolarHBondContact O-N 3.05Å; T74-Q101 PolarHBondContact O-N 2.93Å; T74-I103 HydrophobicContact CG2-CD1 4.02Å; T74-I103 WeakPolarHBondContact OG1-CD1 3.03Å |
| 75 | G | 78.2 | Confident | 84.9 | Confident | 2 Ų | 2 | 19.5 Ų | 19.5 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -85.4 | -144.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G48 I98 S100 | G48-G75 VanDerWaalsContact C-CA 3.49Å; G48-G75 WeakPolarHBondContact O-CA 3Å; G48-G75 PolarHBondContact O-N 3.17Å; G48-G75 VanDerWaalsContact O-N 3.14Å; G75-I98 WeakPolarHBondContact O-CG2 3.48Å; G75-S100 WeakPolarHBondContact O-CA 3.02Å; G75-S100 PolarHBondContact O-N 2.94Å |
| 76 | S | 83.8 | Confident | 85.3 | Confident | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | trans | -91.5 | 151.6 | 174.8 | -49.3 | 0 | 0 | 0 | 0 | 111.5 | T49 L50 S100 Y118 N119 | T49-S76 CarbonylContact C-O 3.52Å; T49-S76 WeakPolarHBondContact CA-O 3.33Å; T49-S76 WeakPolarHBondContact CG2-O 3.04Å; T49-S76 PolarHBondContact OG1-N 2.83Å; T49-S76 VanDerWaalsContact OG1-N 3.13Å; L50-S76 PolarHBondContact N-O 2.87Å; S76-S100 PolarHBondContact OG-OG 2.92Å; S76-Y118 VanDerWaalsContact CB-O 3.24Å; S76-Y118 WeakPolarHBondContact CB-O 3.48Å; S76-Y118 PolarHBondContact OG-O 2.94Å; S76-N119 WeakPolarHBondContact CA-O 3.32Å | ||
| 77 | L | 90.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 124.9 | 162.2 | 174.9 | 57.1 | 0 | 0 | 0 | 109.3 | L50 I52 I73 V79 F92 L95 I98 N119 L120 I121 L132 | L50-L77 HydrophobicContact CB-CD1 4.45Å; L50-L77 HydrophobicContact CD2-CD1 4.25Å; L50-L77 HydrophobicContact CG-CD1 4.4Å; I52-L77 HydrophobicContact CG1-CD1 4.38Å; I73-L77 HydrophobicContact CD1-CB 4.01Å; I73-L77 HydrophobicContact CD1-CD1 4.03Å; I73-L77 HydrophobicContact CD1-CD2 4.26Å; I73-L77 HydrophobicContact CD1-CG 4.31Å; L77-V79 HydrophobicContact CD1-CG2 4.22Å; L77-V79 HydrophobicContact CG-CG2 4.3Å; L77-F92 HydrophobicContact CD1-CE2 3.65Å; L77-F92 HydrophobicContact CD1-CZ 3.76Å; L77-F92 HydrophobicContact CD2-CD2 3.98Å; L77-F92 HydrophobicContact CD2-CE2 3.62Å; L77-F92 HydrophobicContact CD2-CZ 4.31Å; L77-F92 HydrophobicContact CG-CE2 4.3Å; L77-L95 HydrophobicContact CD2-CD2 3.9Å; L77-I98 HydrophobicContact CB-CD1 4.07Å; L77-I98 HydrophobicContact CD2-CD1 4.23Å; L77-N119 PolarHBondContact N-O 3.09Å; L77-L120 HydrophobicContact CB-CD1 3.98Å; L77-L120 HydrophobicContact CD2-CD1 3.9Å; L77-L120 HydrophobicContact CG-CD1 3.88Å; L77-L120 CarbonylContact O-C 3.38Å; L77-L120 WeakPolarHBondContact O-CA 3.47Å; L77-I121 PolarHBondContact O-N 3.35Å; L77-L132 HydrophobicContact CD2-CD1 4.22Å |
| 78 | I | 88.9 | Confident | 85.7 | Confident | 2 Ų | 2 | 17.6 Ų | 17.6 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.6 | 178.1 | -53.3 | -176.3 | 0 | 0 | 0 | 108.9 | T49 L50 T51 I52 E80 I115 I121 L803 | T49-I78 HydrophobicContact CG2-CD1 3.78Å; T49-I78 HydrophobicContact CG2-CG1 4.08Å; L50-I78 PolarHBondContact O-N 2.89Å; T51-I78 CarbonylContact C-O 3.56Å; T51-I78 WeakPolarHBondContact CA-O 2.99Å; T51-I78 HydrophobicContact CG2-CB 4.07Å; T51-I78 HydrophobicContact CG2-CG2 3.96Å; I52-I78 PolarHBondContact N-O 2.81Å; I78-E80 HydrophobicContact CG2-CG 4.01Å; I78-I115 HydrophobicContact CD1-CG2 3.92Å; I78-I121 CarbonylContact C-O 3.55Å; I78-I121 VanDerWaalsContact CA-O 3.28Å; I78-I121 WeakPolarHBondContact CA-O 3.21Å; I78-I121 HydrophobicContact CB-CB 4.45Å; I78-I121 HydrophobicContact CD1-CD1 4.34Å; I78-I121 HydrophobicContact CG1-CB 4.18Å; I78-I121 HydrophobicContact CG1-CD1 4.41Å; I78-I121 HydrophobicContact CG1-CG1 4.42Å; I78-I121 HydrophobicContact CG2-CB 4.18Å; I78-I121 HydrophobicContact CG2-CG2 4.28Å; I78-L803 HydrophobicContact CD1-CD2 3.98Å; I78-L803 HydrophobicContact CG2-CD1 3.95Å; I78-L803 HydrophobicContact CG2-CD2 4.48Å |
| 79 | V | 89.5 | Confident | 85.8 | Confident | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 121 | 177.1 | -174.1 | 0 | 0 | 0 | 0 | 109.3 | I52 L55 L77 L88 I121 I122 R123 T125 L127 | I52-V79 HydrophobicContact CB-CG2 4.43Å; I52-V79 CarbonylContact O-C 3.52Å; I52-V79 VanDerWaalsContact O-CA 3.31Å; I52-V79 WeakPolarHBondContact O-CA 3.48Å; L55-V79 HydrophobicContact CD2-CG1 4.16Å; L77-V79 HydrophobicContact CD1-CG2 4.22Å; L77-V79 HydrophobicContact CG-CG2 4.3Å; V79-L88 HydrophobicContact CG2-CD1 4.22Å; V79-L88 HydrophobicContact CG2-CD2 4.46Å; V79-I121 PolarHBondContact N-O 3Å; V79-I122 HydrophobicContact CB-CG1 4.31Å; V79-I122 HydrophobicContact CB-CG2 4.36Å; V79-I122 CarbonylContact O-C 3.51Å; V79-I122 VanDerWaalsContact O-CA 3.3Å; V79-I122 WeakPolarHBondContact O-CA 3.15Å; V79-R123 PolarHBondContact O-N 3.1Å; V79-T125 HydrophobicContact CG1-CG2 4.47Å; V79-L127 HydrophobicContact CG1-CD1 4.43Å |
| 80 | E | 86 | Confident | 85.9 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 154.8 | -177.8 | -47.5 | -167 | 98.7 | 0 | 0 | 115.4 | I52 R53 N54 I78 G82 R123 L803 | I52-E80 PolarHBondContact O-N 2.82Å; R53-E80 WeakPolarHBondContact CA-O 3.29Å; R53-E80 HydrophobicContact CG-CB 4.3Å; R53-E80 IonicContact CZ-OE2 3.73Å; R53-E80 IonicContact NE-OE2 3.31Å; R53-E80 PolarHBondContact NE-OE2 3.47Å; R53-E80 VanDerWaalsContact NE-OE2 3.16Å; R53-E80 IonicContact NH1-OE2 2.97Å; R53-E80 PolarHBondContact NH1-OE2 3.04Å; R53-E80 IonicContact NH2-OE2 3.44Å; R53-E80 PolarHBondContact NH2-OE2 3.09Å; N54-E80 PolarHBondContact N-O 3.2Å; I78-E80 HydrophobicContact CG2-CG 4.01Å; E80-G82 PolarHBondContact O-N 3.42Å; E80-G82 VanDerWaalsContact O-N 3.17Å; E80-R123 VanDerWaalsContact CA-O 3.3Å; E80-R123 WeakPolarHBondContact CA-O 3.38Å; E80-R123 HydrophobicContact CB-CG 4.32Å; E80-R123 HydrophobicContact CG-CG 3.94Å; E80-R123 WeakPolarHBondContact OE1-CD 3.17Å; E80-R123 IonicContact OE1-CZ 2.82Å; E80-R123 IonicContact OE1-NE 3.38Å; E80-R123 IonicContact OE1-NH1 2.75Å; E80-R123 PolarHBondContact OE1-NH1 2.96Å; E80-L803 HydrophobicContact CG-CD1 4.23Å; E80-L803 WeakPolarHBondContact OE1-CD1 3.28Å |
| 81 | N | 81.4 | Confident | 85.9 | Confident | 59 Ų | 59 | 17.2 Ų | 17.2 | 32% | 0.316 | 10% | 0.095 | S | C | . | . | S | Bend | trans | 58.8 | 27.4 | 167.1 | -60.4 | -93 | 0 | 0 | 0 | 113.2 | R53 R123 H124 | R53-N81 PolarHBondContact NH2-ND2 2.04Å; R53-N81 VanDerWaalsContact NH2-ND2 3.11Å; N81-R123 PolarHBondContact N-O 3Å; N81-H124 CarbonylContact C-O 3.56Å; N81-H124 WeakPolarHBondContact CA-O 3.49Å; N81-H124 PolarHBondContact N-O 2.7Å |
| 82 | G | 77.4 | Confident | 86.1 | Confident | 3 Ų | 3 | 16 Ų | 16 | 3% | 0.031 | 9% | 0.088 | C | C | . | . | trans | -84.5 | 125.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L55 E80 C84 H124 T125 K126 | L55-G82 CarbonylContact O-C 3.4Å; L55-G82 VanDerWaalsContact O-C 3.27Å; L55-G82 WeakPolarHBondContact O-CA 3.41Å; E80-G82 PolarHBondContact O-N 3.42Å; E80-G82 VanDerWaalsContact O-N 3.17Å; G82-C84 VanDerWaalsContact C-N 3.31Å; G82-H124 PolarHBondContact N-O 3.01Å; G82-T125 CarbonylContact O-C 3.55Å; G82-T125 VanDerWaalsContact O-CA 3.23Å; G82-T125 WeakPolarHBondContact O-CA 3.42Å; G82-K126 PolarHBondContact O-N 2.93Å | ||
| 83 | N | 84.6 | Confident | 86.3 | Confident | 88 Ų | 88 | 16.9 Ų | 16.9 | 47% | 0.471 | 10% | 0.095 | S | C | . | . | trans | -86.4 | -0.9 | 170.7 | -91 | -73.1 | 0 | 0 | 0 | 113.5 | L55 S85 K126 | L55-N83 PolarHBondContact O-N 3.31Å; N83-S85 PolarHBondContact O-N 2.93Å; N83-K126 WeakPolarHBondContact OD1-CE 3.33Å; N83-K126 PolarHBondContact OD1-NZ 3.39Å | ||
| 84 | C | 86.7 | Confident | 86.4 | Confident | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -53.4 | 131.2 | 173.2 | 152.3 | 0 | 0 | 0 | 0 | 111.1 | L55 C60 G82 K126 L127 | L55-C84 HydrophobicContact CD2-CB 4.43Å; L55-C84 HydrophobicContact CG-CB 4.02Å; L55-C84 WeakPolarHBondContact O-CB 3.48Å; L55-C84 PolarHBondContact O-N 3.11Å; C60-C84 HydrophobicContact CB-CB 3.93Å; C60-C84 WeakPolarHBondContact CB-SG 3.15Å; C60-C84 WeakPolarHBondContact SG-CB 3.5Å; C60-C84 CovalentContact SG-SG 2.02Å; C60-C84 PolarHBondContact SG-SG 2.88Å; G82-C84 VanDerWaalsContact C-N 3.31Å; C84-K126 CarbonylContact O-C 3.52Å; C84-K126 WeakPolarHBondContact O-CB 3.44Å; C84-K126 VanDerWaalsContact O-O 3.09Å; C84-L127 PolarHBondContact O-N 3.43Å; C84-L127 VanDerWaalsContact O-N 3.17Å; C84-L127 WeakPolarHBondContact SG-CD2 3.48Å | ||
| 85 | S | 83.8 | Confident | 86.9 | Confident | 14 Ų | 14 | 19.2 Ų | 19.2 | 10% | 0.098 | 11% | 0.107 | C | C | . | . | trans | -118.8 | 13.2 | -173.9 | 61.4 | 0 | 0 | 0 | 0 | 114 | D57 N83 K128 R1153 | D57-S85 VanDerWaalsContact CG-OG 3.31Å; D57-S85 PolarHBondContact OD1-N 3.38Å; D57-S85 PolarHBondContact OD1-OG 2.99Å; D57-S85 PolarHBondContact OD2-OG 2.87Å; N83-S85 PolarHBondContact O-N 2.93Å; S85-K128 VanDerWaalsContact O-CD 3.3Å; S85-K128 WeakPolarHBondContact O-CD 3.33Å; S85-K128 WeakPolarHBondContact O-CE 3.45Å; S85-K128 WeakPolarHBondContact O-CG 3.44Å; S85-R1153 PolarHBondContact OG-NH2 3.47Å | ||
| 86 | G | 87 | Confident | 87.3 | Confident | 12 Ų | 12 | 19.3 Ų | 19.3 | 12% | 0.124 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -98.5 | -139.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | L127 K128 | G86-L127 CarbonylContact O-C 3.53Å; G86-L127 WeakPolarHBondContact O-CA 3.04Å; G86-K128 PolarHBondContact O-N 3.02Å |
| 87 | D | 88.3 | Confident | 87.4 | Confident | 23 Ų | 23 | 19.3 Ų | 19.3 | 12% | 0.123 | 11% | 0.107 | C | C | . | . | trans | -127.6 | -173.1 | 171.3 | 62.7 | 29.2 | 0 | 0 | 0 | 110.1 | C60 S89 G129 | C60-D87 PolarHBondContact SG-O 2.91Å; D87-S89 VanDerWaalsContact C-N 3.29Å; D87-S89 PolarHBondContact O-N 3.13Å; D87-S89 WeakPolarHBondContact OD1-CB 3.45Å; D87-S89 PolarHBondContact OD1-N 3.47Å; D87-S89 PolarHBondContact OD1-OG 3.24Å; D87-G129 VanDerWaalsContact CB-O 3.32Å; D87-G129 WeakPolarHBondContact CB-O 3.33Å | ||
| 88 | L | 91.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -81.5 | 0.3 | 179.5 | -55.3 | 177.2 | 0 | 0 | 0 | 114.2 | L55 V79 K90 F91 F92 I122 L127 V130 L132 | L55-L88 HydrophobicContact CD2-CD2 3.43Å; L55-L88 VanDerWaalsContact CD2-CD2 3.43Å; V79-L88 HydrophobicContact CG2-CD1 4.22Å; V79-L88 HydrophobicContact CG2-CD2 4.46Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 3.48Å; L88-F91 PolarHBondContact O-N 2.93Å; L88-F92 PolarHBondContact O-N 3.17Å; L88-I122 HydrophobicContact CD1-CD1 4.01Å; L88-L127 HydrophobicContact CD2-CD1 4.05Å; L88-L127 HydrophobicContact CD2-CD2 3.92Å; L88-L127 HydrophobicContact CG-CD1 4.4Å; L88-L127 HydrophobicContact CG-CD2 4.27Å; L88-V130 VanDerWaalsContact CB-O 3.22Å; L88-V130 WeakPolarHBondContact CB-O 3.03Å; L88-V130 WeakPolarHBondContact CG-O 3.31Å; L88-V130 PolarHBondContact N-O 2.96Å; L88-V130 VanDerWaalsContact N-O 3.15Å; L88-L132 HydrophobicContact CB-CD2 3.79Å; L88-L132 HydrophobicContact CB-CG 4.33Å; L88-L132 HydrophobicContact CD1-CD1 4.39Å; L88-L132 HydrophobicContact CD1-CD2 4.19Å; L88-L132 HydrophobicContact CD1-CG 4.26Å |
| 89 | S | 89.3 | Confident | 86.5 | Confident | 23 Ų | 23 | 20.3 Ų | 20.3 | 16% | 0.161 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -34.4 | -170.4 | 64.4 | 0 | 0 | 0 | 0 | 114.1 | D87 P93 G131 | D87-S89 VanDerWaalsContact C-N 3.29Å; D87-S89 PolarHBondContact O-N 3.13Å; D87-S89 WeakPolarHBondContact OD1-CB 3.45Å; D87-S89 PolarHBondContact OD1-N 3.47Å; D87-S89 PolarHBondContact OD1-OG 3.24Å; S89-P93 WeakPolarHBondContact O-CA 3.49Å; S89-P93 WeakPolarHBondContact O-CB 3.41Å; S89-G131 VanDerWaalsContact CA-O 3.24Å; S89-G131 WeakPolarHBondContact CA-O 3.33Å; S89-G131 VanDerWaalsContact CB-O 3.24Å; S89-G131 WeakPolarHBondContact CB-O 3.04Å; S89-G131 PolarHBondContact N-O 3.12Å |
| 90 | K | 87.9 | Confident | 85.5 | Confident | 92 Ų | 92 | 21 Ų | 21 | 40% | 0.4 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -24.2 | 176.4 | -55.7 | -159.4 | -168.9 | -171.3 | 0 | 113.3 | C60 L61 N66 L88 | C60-K90 WeakPolarHBondContact O-CB 3.45Å; C60-K90 VanDerWaalsContact O-CD 3.27Å; C60-K90 WeakPolarHBondContact O-CD 3.28Å; C60-K90 VanDerWaalsContact O-CG 3.31Å; C60-K90 WeakPolarHBondContact O-CG 3.04Å; L61-K90 PolarHBondContact O-NZ 2.83Å; N66-K90 WeakPolarHBondContact CB-O 2.99Å; L88-K90 VanDerWaalsContact C-N 3.3Å; L88-K90 PolarHBondContact O-N 3.48Å |
| 91 | F | 90.2 | Very high | 84.4 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 0% | 0.004 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -42.2 | 179.6 | -164.9 | -104.3 | 0 | 0 | 0 | 111.4 | L31 L37 I52 L55 C59 C65 L67 L88 P93 | L31-F91 HydrophobicContact CD1-CE2 4.07Å; L31-F91 HydrophobicContact CD1-CZ 4.13Å; L37-F91 HydrophobicContact CD1-CE2 4.3Å; L37-F91 HydrophobicContact CD1-CZ 3.89Å; L37-F91 HydrophobicContact CD2-CE2 4.46Å; I52-F91 HydrophobicContact CD1-CE1 3.91Å; I52-F91 HydrophobicContact CD1-CZ 4.17Å; I52-F91 HydrophobicContact CG1-CE1 3.89Å; I52-F91 HydrophobicContact CG1-CZ 4.46Å; I52-F91 HydrophobicContact CG2-CE1 4.19Å; I52-F91 HydrophobicContact CG2-CZ 4.17Å; L55-F91 HydrophobicContact CD1-CD2 3.65Å; L55-F91 HydrophobicContact CD1-CE2 3.76Å; L55-F91 HydrophobicContact CD1-CG 4.05Å; L55-F91 HydrophobicContact CD1-CZ 4.28Å; C59-F91 HydrophobicContact CB-CD2 3.72Å; C59-F91 HydrophobicContact CB-CE2 3.99Å; C65-F91 WeakPolarHBondContact O-CD2 3.36Å; C65-F91 WeakPolarHBondContact O-CE2 3.1Å; L67-F91 HydrophobicContact CD1-CE1 4.04Å; L67-F91 HydrophobicContact CD1-CZ 4.22Å; L67-F91 PolarHBondContact N-O 3.03Å; L88-F91 PolarHBondContact O-N 2.93Å; F91-P93 VanDerWaalsContact C-CD 3.48Å; F91-P93 WeakPolarHBondContact O-CD 3.47Å |
| 92 | F | 91.5 | Very high | 83 | Confident | 3 Ų | 3 | 23.6 Ų | 23.6 | 1% | 0.013 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -123.5 | 64.4 | 178.3 | -70.6 | -60.7 | 0 | 0 | 0 | 111.7 | L50 I52 L67 I73 L77 L88 N94 L95 L132 | L50-F92 HydrophobicContact CD2-CE1 3.94Å; L50-F92 HydrophobicContact CD2-CZ 3.66Å; I52-F92 HydrophobicContact CG1-CZ 4.29Å; L67-F92 HydrophobicContact CB-CD1 4.2Å; L67-F92 HydrophobicContact CB-CE1 4.26Å; L67-F92 HydrophobicContact CD1-CD1 4.35Å; L67-F92 HydrophobicContact CD1-CE1 3.61Å; L67-F92 HydrophobicContact CD1-CZ 4.22Å; I73-F92 HydrophobicContact CD1-CE1 4.43Å; I73-F92 HydrophobicContact CD1-CZ 4.44Å; L77-F92 HydrophobicContact CD1-CE2 3.65Å; L77-F92 HydrophobicContact CD1-CZ 3.76Å; L77-F92 HydrophobicContact CD2-CD2 3.98Å; L77-F92 HydrophobicContact CD2-CE2 3.62Å; L77-F92 HydrophobicContact CD2-CZ 4.31Å; L77-F92 HydrophobicContact CG-CE2 4.3Å; L88-F92 PolarHBondContact O-N 3.17Å; F92-N94 PolarHBondContact O-N 3.33Å; F92-L95 HydrophobicContact CB-CB 3.78Å; F92-L95 HydrophobicContact CB-CD2 4.1Å; F92-L95 HydrophobicContact CD1-CB 4.46Å; F92-L95 HydrophobicContact CD1-CD2 4.17Å; F92-L95 HydrophobicContact CD2-CD2 4.2Å; F92-L95 HydrophobicContact CG-CB 4.34Å; F92-L95 HydrophobicContact CG-CD2 3.93Å; F92-L95 PolarHBondContact O-N 3.3Å; F92-L132 HydrophobicContact CB-CD2 3.77Å; F92-L132 HydrophobicContact CD2-CD2 4.17Å; F92-L132 HydrophobicContact CG-CD2 4.41Å |
| 93 | P | 89.1 | Confident | 81.6 | Confident | 30 Ų | 30 | 24.6 Ų | 24.6 | 20% | 0.195 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -15.4 | -171.3 | 30.2 | -37 | 0 | 0 | 0 | 114.6 | S89 F91 | S89-P93 WeakPolarHBondContact O-CA 3.49Å; S89-P93 WeakPolarHBondContact O-CB 3.41Å; F91-P93 VanDerWaalsContact C-CD 3.48Å; F91-P93 WeakPolarHBondContact O-CD 3.47Å |
| 94 | N | 88.9 | Confident | 79.3 | Confident | 48 Ų | 48 | 22.2 Ų | 22.2 | 26% | 0.257 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.2 | 2.2 | -179.3 | -71.5 | -41.5 | 0 | 0 | 0 | 114.6 | S68 V70 V71 F92 T96 K134 | S68-N94 PolarHBondContact O-ND2 2.71Å; V70-N94 CarbonylContact O-C 3.21Å; V71-N94 HydrophobicContact CG2-CB 4.3Å; F92-N94 PolarHBondContact O-N 3.33Å; N94-T96 PolarHBondContact O-N 3.21Å; N94-T96 PolarHBondContact O-OG1 3.39Å; N94-K134 WeakPolarHBondContact OD1-CE 3.48Å; N94-K134 PolarHBondContact OD1-NZ 3.43Å |
| 95 | L | 90.7 | Very high | 76.9 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | trans | -64.5 | 112.1 | -178.8 | 179.2 | 60.6 | 0 | 0 | 0 | 110.5 | V70 I73 L77 F92 I98 L132 K134 L135 | V70-L95 HydrophobicContact CG1-CD1 4.39Å; V70-L95 PolarHBondContact O-N 2.04Å; I73-L95 HydrophobicContact CB-CD1 4.49Å; I73-L95 HydrophobicContact CD1-CD1 4Å; I73-L95 HydrophobicContact CD1-CD2 3.82Å; I73-L95 HydrophobicContact CG1-CD1 3.88Å; L77-L95 HydrophobicContact CD2-CD2 3.9Å; F92-L95 HydrophobicContact CB-CB 3.78Å; F92-L95 HydrophobicContact CB-CD2 4.1Å; F92-L95 HydrophobicContact CD1-CB 4.46Å; F92-L95 HydrophobicContact CD1-CD2 4.17Å; F92-L95 HydrophobicContact CD2-CD2 4.2Å; F92-L95 HydrophobicContact CG-CB 4.34Å; F92-L95 HydrophobicContact CG-CD2 3.93Å; F92-L95 PolarHBondContact O-N 3.3Å; L95-I98 HydrophobicContact CD1-CG1 4.23Å; L95-I98 HydrophobicContact CD2-CD1 4.02Å; L95-I98 HydrophobicContact CD2-CG1 4.16Å; L95-I98 HydrophobicContact CG-CG1 4.31Å; L95-L132 HydrophobicContact CD2-CD1 4.43Å; L95-L132 HydrophobicContact CD2-CD2 4.17Å; L95-K134 CarbonylContact O-C 3.54Å; L95-L135 PolarHBondContact O-N 2.92Å | ||
| 96 | T | 87.3 | Confident | 74.7 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.018 | 14% | 0.137 | C | C | . | . | trans | -110.9 | -25.9 | -170.5 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | V71 N94 K134 K136 S137 L258 | V71-T96 PolarHBondContact O-N 2.8Å; N94-T96 PolarHBondContact O-N 3.21Å; N94-T96 PolarHBondContact O-OG1 3.39Å; T96-K134 WeakPolarHBondContact CA-O 3.39Å; T96-K136 HydrophobicContact CG2-CB 4.07Å; T96-K136 HydrophobicContact CG2-CD 4.16Å; T96-K136 HydrophobicContact CG2-CG 4.2Å; T96-K136 PolarHBondContact O-N 2.81Å; T96-S137 PolarHBondContact O-N 3.05Å; T96-S137 VanDerWaalsContact O-N 3.15Å; T96-L258 HydrophobicContact CG2-CD1 4.17Å | ||
| 97 | I | 84.9 | Confident | 72.5 | Confident | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 131.6 | -172.3 | -57.6 | 178.8 | 0 | 0 | 0 | 110.8 | V71 E72 I73 R99 S246 | V71-I97 PolarHBondContact O-N 3.44Å; E72-I97 WeakPolarHBondContact CA-O 3.26Å; E72-I97 HydrophobicContact CG-CB 4.3Å; E72-I97 HydrophobicContact CG-CG2 4.28Å; I73-I97 PolarHBondContact N-O 3.13Å; I97-R99 HydrophobicContact CG2-CG 3.6Å; I97-S246 WeakPolarHBondContact CD1-O 3.38Å |
| 98 | I | 87 | Confident | 70.1 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 113.7 | 167 | -50.1 | 169 | 0 | 0 | 0 | 110.1 | I73 G75 L77 L95 N119 L132 L135 S137 L138 | I73-I98 HydrophobicContact CB-CG2 4.33Å; I73-I98 HydrophobicContact CG2-CG2 4.42Å; I73-I98 CarbonylContact O-C 3.34Å; I73-I98 VanDerWaalsContact O-CA 3.27Å; I73-I98 WeakPolarHBondContact O-CA 3.41Å; G75-I98 WeakPolarHBondContact O-CG2 3.48Å; L77-I98 HydrophobicContact CB-CD1 4.07Å; L77-I98 HydrophobicContact CD2-CD1 4.23Å; L95-I98 HydrophobicContact CD1-CG1 4.23Å; L95-I98 HydrophobicContact CD2-CD1 4.02Å; L95-I98 HydrophobicContact CD2-CG1 4.16Å; L95-I98 HydrophobicContact CG-CG1 4.31Å; I98-N119 HydrophobicContact CG2-CB 4.34Å; I98-N119 VanDerWaalsContact CG2-O 3.3Å; I98-N119 WeakPolarHBondContact CG2-O 3.45Å; I98-N119 PolarHBondContact O-ND2 3.47Å; I98-L132 HydrophobicContact CD1-CD1 4.31Å; I98-L135 HydrophobicContact CD1-CD1 4.06Å; I98-L135 HydrophobicContact CG1-CD1 3.92Å; I98-S137 PolarHBondContact N-O 2.87Å; I98-L138 HydrophobicContact CB-CD2 3.92Å; I98-L138 HydrophobicContact CD1-CD2 4.34Å; I98-L138 HydrophobicContact CG1-CD2 4.47Å |
| 99 | R | 74 | Confident | 67.5 | Low | 22 Ų | 22 | 32.3 Ų | 32.3 | 8% | 0.083 | 17% | 0.173 | C | C | . | . | trans | -95.2 | -20.5 | -166.2 | -57.9 | -178.1 | 131.8 | 158 | -9.1 | 116.5 | E72 I73 T74 I97 Q101 N139 S259 C260 | E72-R99 IonicContact OE1-CZ 3.83Å; E72-R99 IonicContact OE1-NE 3.01Å; E72-R99 IonicContact OE1-NH1 2.85Å; E72-R99 PolarHBondContact OE1-NH1 3.06Å; I73-R99 PolarHBondContact O-N 2.85Å; T74-R99 CarbonylContact O-C 3.59Å; T74-R99 WeakPolarHBondContact O-CB 3.46Å; I97-R99 HydrophobicContact CG2-CG 3.6Å; R99-Q101 HydrophobicContact CB-CB 4.41Å; R99-Q101 HydrophobicContact CB-CG 4.06Å; R99-Q101 PolarHBondContact O-N 2.8Å; R99-N139 WeakPolarHBondContact O-CB 3.3Å; R99-N139 PolarHBondContact O-ND2 2.95Å; R99-S259 VanDerWaalsContact CZ-OG 3.23Å; R99-S259 PolarHBondContact NH1-OG 3.03Å; R99-S259 PolarHBondContact NH2-OG 3.2Å; R99-C260 PolarHBondContact NH2-O 3.04Å | ||
| 100 | S | 69.2 | Low | 64.9 | Low | 15 Ų | 15 | 35.4 Ų | 35.4 | 11% | 0.105 | 19% | 0.187 | C | C | . | . | trans | 48.9 | 26.6 | -172.6 | -153.2 | 0 | 0 | 0 | 0 | 114.4 | T74 G75 S76 S116 Y118 N119 | T74-S100 CarbonylContact O-C 3.55Å; T74-S100 PolarHBondContact O-N 3.05Å; G75-S100 WeakPolarHBondContact O-CA 3.02Å; G75-S100 PolarHBondContact O-N 2.94Å; S76-S100 PolarHBondContact OG-OG 2.92Å; S100-S116 PolarHBondContact OG-O 2.85Å; S100-Y118 PolarHBondContact OG-O 2.93Å; S100-N119 WeakPolarHBondContact CB-ND2 3.34Å | ||
| 101 | Q | 61.7 | Low | 62.4 | Low | 49 Ų | 49 | 35 Ų | 35 | 23% | 0.229 | 19% | 0.186 | C | C | . | . | trans | -76.6 | 127.8 | 173.5 | -78.8 | 178 | -27.5 | 0 | 0 | 109 | T74 R99 I103 | T74-Q101 PolarHBondContact O-N 2.93Å; R99-Q101 HydrophobicContact CB-CB 4.41Å; R99-Q101 HydrophobicContact CB-CG 4.06Å; R99-Q101 PolarHBondContact O-N 2.8Å; Q101-I103 HydrophobicContact CB-CG1 4.01Å; Q101-I103 PolarHBondContact O-N 3.19Å | ||
| 102 | I | 52 | Low | 59.9 | Low | 65 Ų | 65 | 40.4 Ų | 40.4 | 33% | 0.333 | 21% | 0.211 | S | C | . | . | trans | -79.8 | 77.2 | 177.3 | -47.6 | 179.5 | 0 | 0 | 0 | 108.4 | T104 D107 L108 S116 | I102-T104 VanDerWaalsContact C-N 3.26Å; I102-T104 PolarHBondContact O-N 2.98Å; I102-D107 HydrophobicContact CG2-CB 3.54Å; I102-L108 HydrophobicContact CD1-CD2 4.16Å; I102-L108 HydrophobicContact CG2-CD2 4.14Å; I102-L108 HydrophobicContact CG2-CG 3.88Å; I102-S116 WeakPolarHBondContact CD1-OG 3.43Å | ||
| 103 | I | 47.6 | Very low | 57.7 | Low | 24 Ų | 24 | 42 Ų | 42 | 12% | 0.123 | 22% | 0.219 | C | C | . | . | trans | -70.5 | -20.5 | -175 | -70.4 | -160.6 | 0 | 0 | 0 | 112.9 | T74 Q101 N281 | T74-I103 HydrophobicContact CG2-CD1 4.02Å; T74-I103 WeakPolarHBondContact OG1-CD1 3.03Å; Q101-I103 HydrophobicContact CB-CG1 4.01Å; Q101-I103 PolarHBondContact O-N 3.19Å; I103-N281 PolarHBondContact O-ND2 2.76Å; I103-N281 VanDerWaalsContact O-ND2 3.12Å | ||
| 104 | T | 37.9 | Very low | 55.7 | Low | 39 Ų | 39 | 45.4 Ų | 45.4 | 24% | 0.239 | 23% | 0.233 | C | C | . | . | trans | -107.9 | 135.3 | -178.9 | 81.1 | 0 | 0 | 0 | 0 | 112.7 | I102 T106 D107 | I102-T104 VanDerWaalsContact C-N 3.26Å; I102-T104 PolarHBondContact O-N 2.98Å; T104-T106 VanDerWaalsContact CB-OG1 3.24Å; T104-T106 WeakPolarHBondContact CB-OG1 3.42Å; T104-T106 PolarHBondContact O-N 3.06Å; T104-T106 PolarHBondContact OG1-OG1 3.39Å; T104-D107 PolarHBondContact O-N 3.37Å; T104-D107 PolarHBondContact OG1-N 3.19Å; T104-D107 PolarHBondContact OG1-OD2 2.85Å | ||
| 105 | S | 35.7 | Very low | 53.9 | Low | 9 Ų | 9 | 43.7 Ų | 43.7 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -15.5 | 170.5 | 62 | 0 | 0 | 0 | 0 | 113.5 | N109 E296 | S105-N109 PolarHBondContact O-ND2 3.37Å; S105-E296 VanDerWaalsContact CB-OE2 3.26Å; S105-E296 WeakPolarHBondContact CB-OE2 3.48Å; S105-E296 PolarHBondContact N-OE2 3.1Å; S105-E296 PolarHBondContact OG-OE2 3.3Å |
| 106 | T | 37.7 | Very low | 52 | Low | 64 Ų | 64 | 44.8 Ų | 44.8 | 39% | 0.393 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -34.5 | 170.7 | 34 | 0 | 0 | 0 | 0 | 113.6 | T104 I297 | T104-T106 VanDerWaalsContact CB-OG1 3.24Å; T104-T106 WeakPolarHBondContact CB-OG1 3.42Å; T104-T106 PolarHBondContact O-N 3.06Å; T104-T106 PolarHBondContact OG1-OG1 3.39Å; T106-I297 WeakPolarHBondContact CG2-O 3.17Å |
| 107 | D | 39.5 | Very low | 50.8 | Low | 48 Ų | 48 | 46.4 Ų | 46.4 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -78.7 | -28.5 | 178.2 | -79.7 | -53.7 | 0 | 0 | 0 | 113.1 | I102 T104 N109 N113 | I102-D107 HydrophobicContact CG2-CB 3.54Å; T104-D107 PolarHBondContact O-N 3.37Å; T104-D107 PolarHBondContact OG1-N 3.19Å; T104-D107 PolarHBondContact OG1-OD2 2.85Å; D107-N109 PolarHBondContact O-N 3.07Å; D107-N109 VanDerWaalsContact O-N 3.15Å; D107-N113 PolarHBondContact O-ND2 2.72Å |
| 108 | L | 39.2 | Very low | 50 | Low | 112 Ų | 112 | 47 Ų | 47 | 59% | 0.586 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -64.5 | -15.4 | 179.2 | -79.5 | 171.8 | 0 | 0 | 0 | 114.5 | I102 | I102-L108 HydrophobicContact CD1-CD2 4.16Å; I102-L108 HydrophobicContact CG2-CD2 4.14Å; I102-L108 HydrophobicContact CG2-CG 3.88Å |
| 109 | N | 37.1 | Very low | 49.8 | Very low | 28 Ų | 28 | 47 Ų | 47 | 15% | 0.15 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -108.9 | -12.7 | -171.5 | -72.1 | -91.2 | 0 | 0 | 0 | 114.9 | S105 D107 K111 V298 G299 S300 | S105-N109 PolarHBondContact O-ND2 3.37Å; D107-N109 PolarHBondContact O-N 3.07Å; D107-N109 VanDerWaalsContact O-N 3.15Å; N109-K111 PolarHBondContact O-N 3.44Å; N109-V298 WeakPolarHBondContact ND2-CG1 3.2Å; N109-G299 WeakPolarHBondContact CB-O 3.45Å; N109-S300 WeakPolarHBondContact OD1-CA 3.3Å |
| 110 | N | 34.5 | Very low | 50.4 | Low | 87 Ų | 87 | 46 Ų | 46 | 47% | 0.465 | 24% | 0.241 | S | C | . | . | trans | -73.3 | 93.3 | 169 | -81.5 | -29.3 | 0 | 0 | 0 | 109.4 | H112 N113 L802 | N110-H112 PolarHBondContact O-N 2.8Å; N110-N113 WeakPolarHBondContact O-CB 3.48Å; N110-N113 PolarHBondContact O-N 3.2Å; N110-N113 VanDerWaalsContact O-N 3.12Å; N110-L802 HydrophobicContact CB-CD2 4.36Å | ||
| 111 | K | 34.6 | Very low | 51.2 | Low | 84 Ų | 84 | 45.2 Ų | 45.2 | 37% | 0.365 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 22.9 | -174.8 | -69.1 | -169.3 | -173.5 | 162.3 | 0 | 116.7 | N109 V301 D347 | N109-K111 PolarHBondContact O-N 3.44Å; K111-V301 HydrophobicContact CD-CG2 3.73Å; K111-V301 HydrophobicContact CG-CG2 3.85Å; K111-D347 PolarHBondContact NZ-O 3.21Å |
| 112 | H | 38.2 | Very low | 52.3 | Low | 115 Ų | 115 | 42.9 Ų | 42.9 | 53% | 0.532 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.5 | 3.1 | 168.5 | -68.9 | -76.8 | 0 | 0 | 0 | 113 | N110 Q114 L802 | N110-H112 PolarHBondContact O-N 2.8Å; H112-Q114 PolarHBondContact O-N 2.71Å; H112-L802 HydrophobicContact CB-CD1 3.58Å; H112-L802 HydrophobicContact CB-CG 4.01Å; H112-L802 VanDerWaalsContact O-CD1 3.27Å; H112-L802 WeakPolarHBondContact O-CD1 3.07Å |
| 113 | N | 44.4 | Very low | 53.7 | Low | 36 Ų | 36 | 40 Ų | 40 | 19% | 0.193 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 52.2 | -166 | -111.6 | -12.7 | 0 | 0 | 0 | 116.2 | D107 N110 I115 S116 | D107-N113 PolarHBondContact O-ND2 2.72Å; N110-N113 WeakPolarHBondContact O-CB 3.48Å; N110-N113 PolarHBondContact O-N 3.2Å; N110-N113 VanDerWaalsContact O-N 3.12Å; N113-I115 PolarHBondContact O-N 2.78Å; N113-S116 PolarHBondContact O-N 3.3Å; N113-S116 PolarHBondContact O-OG 3.21Å; N113-S116 VanDerWaalsContact O-OG 3.07Å |
| 114 | Q | 48 | Very low | 55.3 | Low | 101 Ų | 101 | 42 Ų | 42 | 47% | 0.472 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -32.3 | 156.8 | -69.4 | -173.2 | -7.5 | 0 | 0 | 110.9 | H112 S116 S117 Y118 | H112-Q114 PolarHBondContact O-N 2.71Å; Q114-S116 VanDerWaalsContact C-N 3.32Å; Q114-S116 PolarHBondContact O-N 3.03Å; Q114-S117 PolarHBondContact O-N 2.79Å; Q114-S117 PolarHBondContact O-OG 2.81Å; Q114-Y118 WeakPolarHBondContact O-CD2 3.48Å |
| 115 | I | 51.8 | Low | 57.4 | Low | 12 Ų | 12 | 40.3 Ų | 40.3 | 6% | 0.062 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -50.4 | -46.9 | 175.6 | -60.8 | -171.3 | 0 | 0 | 0 | 112.1 | I78 N113 S117 Y118 I121 L799 L802 L803 | I78-I115 HydrophobicContact CD1-CG2 3.92Å; N113-I115 PolarHBondContact O-N 2.78Å; I115-S117 PolarHBondContact O-N 2.91Å; I115-Y118 WeakPolarHBondContact O-CB 3.1Å; I115-Y118 PolarHBondContact O-N 3.02Å; I115-I121 HydrophobicContact CG2-CD1 3.85Å; I115-L799 HydrophobicContact CD1-CD1 3.43Å; I115-L799 VanDerWaalsContact CD1-CD1 3.43Å; I115-L799 HydrophobicContact CG1-CD1 3.8Å; I115-L802 HydrophobicContact CD1-CB 3.46Å; I115-L802 VanDerWaalsContact CD1-CB 3.46Å; I115-L802 HydrophobicContact CD1-CD1 3.54Å; I115-L802 HydrophobicContact CD1-CG 4.06Å; I115-L802 HydrophobicContact CG1-CD1 3.83Å; I115-L803 HydrophobicContact CD1-CG 4.41Å |
| 116 | S | 50.5 | Low | 59.7 | Low | 25 Ų | 25 | 44.6 Ų | 44.6 | 18% | 0.175 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -69 | -1.8 | -171.9 | 66.8 | 0 | 0 | 0 | 0 | 114.3 | S100 I102 N113 Q114 | S100-S116 PolarHBondContact OG-O 2.85Å; I102-S116 WeakPolarHBondContact CD1-OG 3.43Å; N113-S116 PolarHBondContact O-N 3.3Å; N113-S116 PolarHBondContact O-OG 3.21Å; N113-S116 VanDerWaalsContact O-OG 3.07Å; Q114-S116 VanDerWaalsContact C-N 3.32Å; Q114-S116 PolarHBondContact O-N 3.03Å |
| 117 | S | 60.4 | Low | 62 | Low | 37 Ų | 37 | 41.6 Ų | 41.6 | 26% | 0.259 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -91.7 | -7.8 | 168.6 | 73.4 | 0 | 0 | 0 | 0 | 114.1 | Q114 I115 S140 R142 | Q114-S117 PolarHBondContact O-N 2.79Å; Q114-S117 PolarHBondContact O-OG 2.81Å; I115-S117 PolarHBondContact O-N 2.91Å; S117-S140 PolarHBondContact O-OG 3.04Å; S117-R142 VanDerWaalsContact O-CB 3.3Å; S117-R142 WeakPolarHBondContact O-CB 3.39Å; S117-R142 VanDerWaalsContact O-CD 3.24Å; S117-R142 WeakPolarHBondContact O-CD 3.02Å; S117-R142 PolarHBondContact OG-NH1 3Å |
| 118 | Y | 70 | Confident | 64.2 | Low | 14 Ų | 14 | 45 Ų | 45 | 6% | 0.055 | 22% | 0.22 | C | C | . | . | trans | -98 | 125.6 | 176.7 | -68.5 | -95 | 0 | 0 | 0 | 110.6 | S76 S100 Q114 I115 I121 R142 A144 I181 F795 | S76-Y118 VanDerWaalsContact CB-O 3.24Å; S76-Y118 WeakPolarHBondContact CB-O 3.48Å; S76-Y118 PolarHBondContact OG-O 2.94Å; S100-Y118 PolarHBondContact OG-O 2.93Å; Q114-Y118 WeakPolarHBondContact O-CD2 3.48Å; I115-Y118 WeakPolarHBondContact O-CB 3.1Å; I115-Y118 PolarHBondContact O-N 3.02Å; Y118-I121 HydrophobicContact CG-CD1 4.47Å; Y118-I121 HydrophobicContact CG-CG1 4.46Å; Y118-R142 CarbonylContact C-O 3.55Å; Y118-R142 WeakPolarHBondContact CA-O 3.32Å; Y118-R142 HydrophobicContact CD1-CB 3.71Å; Y118-R142 HydrophobicContact CE1-CB 4.09Å; Y118-R142 HydrophobicContact CG-CB 4.12Å; Y118-A144 HydrophobicContact CD1-CB 3.9Å; Y118-A144 HydrophobicContact CE1-CB 4.04Å; Y118-I181 HydrophobicContact CE1-CD1 3.6Å; Y118-F795 HydrophobicContact CD2-CE2 4.33Å; Y118-F795 HydrophobicContact CD2-CZ 4.25Å; Y118-F795 HydrophobicContact CE1-CZ 4.36Å; Y118-F795 AromaticContact CE2-CE2 3.53Å; Y118-F795 HydrophobicContact CE2-CE2 3.53Å; Y118-F795 AromaticContact CE2-CZ 3.64Å; Y118-F795 HydrophobicContact CE2-CZ 3.64Å; Y118-F795 AromaticContact CZ-CE2 3.9Å; Y118-F795 AromaticContact CZ-CZ 3.7Å | ||
| 119 | N | 82.2 | Confident | 66.4 | Low | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -73.2 | -36.2 | 176.2 | -67.5 | 72.3 | 0 | 0 | 0 | 111.7 | S76 L77 I98 S100 L138 N139 S140 R142 | S76-N119 WeakPolarHBondContact CA-O 3.32Å; L77-N119 PolarHBondContact N-O 3.09Å; I98-N119 HydrophobicContact CG2-CB 4.34Å; I98-N119 VanDerWaalsContact CG2-O 3.3Å; I98-N119 WeakPolarHBondContact CG2-O 3.45Å; I98-N119 PolarHBondContact O-ND2 3.47Å; S100-N119 WeakPolarHBondContact CB-ND2 3.34Å; N119-L138 HydrophobicContact CB-CD2 3.84Å; N119-N139 PolarHBondContact ND2-N 3.32Å; N119-S140 WeakPolarHBondContact OD1-CB 3.22Å; N119-S140 PolarHBondContact OD1-N 2.82Å; N119-S140 VanDerWaalsContact OD1-N 3.15Å; N119-S140 PolarHBondContact OD1-OG 2.88Å; N119-R142 PolarHBondContact N-O 3.19Å |
| 120 | L | 86.7 | Confident | 68.8 | Low | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 131.5 | -177.1 | 176.4 | 64.4 | 0 | 0 | 0 | 110.6 | L77 I122 V130 L132 I143 A144 | L77-L120 HydrophobicContact CB-CD1 3.98Å; L77-L120 HydrophobicContact CD2-CD1 3.9Å; L77-L120 HydrophobicContact CG-CD1 3.88Å; L77-L120 CarbonylContact O-C 3.38Å; L77-L120 WeakPolarHBondContact O-CA 3.47Å; L120-I122 HydrophobicContact CD1-CD1 4.22Å; L120-I122 HydrophobicContact CD1-CG1 3.97Å; L120-I122 HydrophobicContact CD2-CD1 4.29Å; L120-I122 HydrophobicContact CG-CD1 4.41Å; L120-I122 HydrophobicContact CG-CG1 4.21Å; L120-V130 HydrophobicContact CD2-CG1 3.85Å; L120-L132 HydrophobicContact CD2-CD1 4.34Å; L120-I143 HydrophobicContact CB-CG1 4.18Å; L120-I143 HydrophobicContact CB-CG2 4.04Å; L120-I143 HydrophobicContact CD2-CG2 3.97Å; L120-I143 HydrophobicContact CG-CG2 4.07Å; L120-I143 CarbonylContact O-C 3.55Å; L120-I143 VanDerWaalsContact O-CA 3.31Å; L120-I143 WeakPolarHBondContact O-CA 3.36Å; L120-A144 PolarHBondContact O-N 3.49Å |
| 121 | I | 84.8 | Confident | 71.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 127.6 | 171.7 | -55.1 | -172.5 | 0 | 0 | 0 | 108.3 | L77 I78 V79 I115 Y118 A144 L799 | L77-I121 PolarHBondContact O-N 3.35Å; I78-I121 CarbonylContact C-O 3.55Å; I78-I121 VanDerWaalsContact CA-O 3.28Å; I78-I121 WeakPolarHBondContact CA-O 3.21Å; I78-I121 HydrophobicContact CB-CB 4.45Å; I78-I121 HydrophobicContact CD1-CD1 4.34Å; I78-I121 HydrophobicContact CG1-CB 4.18Å; I78-I121 HydrophobicContact CG1-CD1 4.41Å; I78-I121 HydrophobicContact CG1-CG1 4.42Å; I78-I121 HydrophobicContact CG2-CB 4.18Å; I78-I121 HydrophobicContact CG2-CG2 4.28Å; V79-I121 PolarHBondContact N-O 3Å; I115-I121 HydrophobicContact CG2-CD1 3.85Å; Y118-I121 HydrophobicContact CG-CD1 4.47Å; Y118-I121 HydrophobicContact CG-CG1 4.46Å; I121-A144 CarbonylContact C-O 3.38Å; I121-A144 WeakPolarHBondContact CA-O 3.03Å; I121-A144 HydrophobicContact CB-CB 4.38Å; I121-A144 HydrophobicContact CG1-CB 4.09Å; I121-A144 HydrophobicContact CG2-CB 4.14Å; I121-L799 HydrophobicContact CD1-CD1 4.03Å; I121-L799 HydrophobicContact CG2-CD2 4.4Å |
| 122 | I | 86.6 | Confident | 74.1 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122.2 | 172.3 | -54.8 | -178.3 | 0 | 0 | 0 | 107.1 | V79 L88 L120 T125 L127 V130 A144 L145 I146 N148 M151 | V79-I122 HydrophobicContact CB-CG1 4.31Å; V79-I122 HydrophobicContact CB-CG2 4.36Å; V79-I122 CarbonylContact O-C 3.51Å; V79-I122 VanDerWaalsContact O-CA 3.3Å; V79-I122 WeakPolarHBondContact O-CA 3.15Å; L88-I122 HydrophobicContact CD1-CD1 4.01Å; L120-I122 HydrophobicContact CD1-CD1 4.22Å; L120-I122 HydrophobicContact CD1-CG1 3.97Å; L120-I122 HydrophobicContact CD2-CD1 4.29Å; L120-I122 HydrophobicContact CG-CD1 4.41Å; L120-I122 HydrophobicContact CG-CG1 4.21Å; I122-T125 HydrophobicContact CG2-CG2 3.72Å; I122-L127 HydrophobicContact CD1-CD1 4.39Å; I122-L127 HydrophobicContact CG2-CD1 3.56Å; I122-V130 HydrophobicContact CD1-CG1 4.15Å; I122-V130 HydrophobicContact CD1-CG2 4.12Å; I122-A144 PolarHBondContact N-O 2.87Å; I122-A144 VanDerWaalsContact O-O 3.12Å; I122-L145 HydrophobicContact CB-CD2 3.91Å; I122-L145 HydrophobicContact CD1-CD2 4.03Å; I122-L145 HydrophobicContact CG1-CD2 4.07Å; I122-L145 CarbonylContact O-C 3.54Å; I122-L145 WeakPolarHBondContact O-CA 3.36Å; I122-I146 PolarHBondContact O-N 3.07Å; I122-N148 PolarHBondContact O-ND2 2.8Å; I122-M151 HydrophobicContact CD1-CE 4.33Å; I122-M151 HydrophobicContact CG2-CE 3.98Å |
| 123 | R | 80.1 | Confident | 76.5 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 148.1 | 179.6 | 67.6 | -172.5 | -71.3 | -112.7 | 12.7 | 117.2 | V79 E80 N81 T125 I146 E796 Q800 | V79-R123 PolarHBondContact O-N 3.1Å; E80-R123 VanDerWaalsContact CA-O 3.3Å; E80-R123 WeakPolarHBondContact CA-O 3.38Å; E80-R123 HydrophobicContact CB-CG 4.32Å; E80-R123 HydrophobicContact CG-CG 3.94Å; E80-R123 WeakPolarHBondContact OE1-CD 3.17Å; E80-R123 IonicContact OE1-CZ 2.82Å; E80-R123 IonicContact OE1-NE 3.38Å; E80-R123 IonicContact OE1-NH1 2.75Å; E80-R123 PolarHBondContact OE1-NH1 2.96Å; N81-R123 PolarHBondContact N-O 3Å; R123-T125 VanDerWaalsContact C-N 3.32Å; R123-T125 VanDerWaalsContact O-CG2 3.3Å; R123-T125 WeakPolarHBondContact O-CG2 3.19Å; R123-T125 PolarHBondContact O-N 2.64Å; R123-I146 CarbonylContact C-O 3.6Å; R123-I146 WeakPolarHBondContact CA-O 3.46Å; R123-I146 HydrophobicContact CB-CB 3.83Å; R123-I146 HydrophobicContact CB-CD1 4.22Å; R123-I146 HydrophobicContact CB-CG1 4.24Å; R123-I146 WeakPolarHBondContact CB-O 3.48Å; R123-E796 IonicContact CZ-OE1 3.76Å; R123-E796 IonicContact NE-OE1 3.96Å; R123-E796 PolarHBondContact NE-OE1 2.83Å; R123-E796 IonicContact NH2-OE1 3.27Å; R123-E796 PolarHBondContact NH2-OE1 2.96Å; R123-Q800 VanDerWaalsContact NH2-OE1 3.11Å |
| 124 | H | 81.3 | Confident | 78.6 | Confident | 67 Ų | 67 | 28.9 Ų | 28.9 | 31% | 0.31 | 13% | 0.134 | S | C | . | . | S | Bend | trans | 53.5 | 49.3 | -179 | -61.9 | 89.4 | 0 | 0 | 0 | 111.2 | N81 G82 I146 D147 E796 | N81-H124 CarbonylContact C-O 3.56Å; N81-H124 WeakPolarHBondContact CA-O 3.49Å; N81-H124 PolarHBondContact N-O 2.7Å; G82-H124 PolarHBondContact N-O 3.01Å; H124-I146 PolarHBondContact N-O 3.5Å; H124-D147 VanDerWaalsContact CA-O 3.24Å; H124-D147 WeakPolarHBondContact CA-O 3.46Å; H124-D147 IonicContact CD2-OD2 3.56Å; H124-D147 PolarHBondContact CD2-OD2 3.36Å; H124-D147 VanDerWaalsContact CD2-OD2 3.23Å; H124-D147 PolarHBondContact N-O 2.64Å; H124-D147 IonicContact NE2-OD2 3.33Å; H124-E796 IonicContact CE1-OE1 3.46Å; H124-E796 PolarHBondContact CE1-OE1 3.27Å |
| 125 | T | 81.8 | Confident | 80.6 | Confident | 3 Ų | 3 | 24.1 Ų | 24.1 | 2% | 0.018 | 11% | 0.112 | C | C | . | . | trans | -122.4 | 162.3 | -177.5 | 79.8 | 0 | 0 | 0 | 0 | 113.5 | V79 G82 I122 R123 L127 D147 N148 | V79-T125 HydrophobicContact CG1-CG2 4.47Å; G82-T125 CarbonylContact O-C 3.55Å; G82-T125 VanDerWaalsContact O-CA 3.23Å; G82-T125 WeakPolarHBondContact O-CA 3.42Å; I122-T125 HydrophobicContact CG2-CG2 3.72Å; R123-T125 VanDerWaalsContact C-N 3.32Å; R123-T125 VanDerWaalsContact O-CG2 3.3Å; R123-T125 WeakPolarHBondContact O-CG2 3.19Å; R123-T125 PolarHBondContact O-N 2.64Å; T125-L127 HydrophobicContact CG2-CD1 4.19Å; T125-L127 PolarHBondContact OG1-N 3.29Å; T125-D147 PolarHBondContact N-O 2.85Å; T125-N148 WeakPolarHBondContact CB-OD1 3.24Å; T125-N148 PolarHBondContact N-OD1 2.89Å; T125-N148 WeakPolarHBondContact O-CA 3.4Å; T125-N148 PolarHBondContact OG1-OD1 2.63Å | ||
| 126 | K | 85.4 | Confident | 82.1 | Confident | 98 Ų | 98 | 24.3 Ų | 24.3 | 43% | 0.426 | 11% | 0.112 | S | C | . | . | trans | -101.1 | 15.8 | 172 | -67 | -179.1 | 179.3 | 165 | 0 | 113.6 | G82 N83 C84 K128 M150 | G82-K126 PolarHBondContact O-N 2.93Å; N83-K126 WeakPolarHBondContact OD1-CE 3.33Å; N83-K126 PolarHBondContact OD1-NZ 3.39Å; C84-K126 CarbonylContact O-C 3.52Å; C84-K126 WeakPolarHBondContact O-CB 3.44Å; C84-K126 VanDerWaalsContact O-O 3.09Å; K126-K128 PolarHBondContact O-N 2.03Å; K126-M150 HydrophobicContact CB-CG 4.33Å; K126-M150 WeakPolarHBondContact O-CB 3.41Å | ||
| 127 | L | 86.1 | Confident | 83.5 | Confident | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | trans | -56.6 | 131.3 | 178.3 | -76.7 | 161 | 0 | 0 | 0 | 110 | V79 C84 G86 L88 I122 T125 G129 M150 M151 | V79-L127 HydrophobicContact CG1-CD1 4.43Å; C84-L127 PolarHBondContact O-N 3.43Å; C84-L127 VanDerWaalsContact O-N 3.17Å; C84-L127 WeakPolarHBondContact SG-CD2 3.48Å; G86-L127 CarbonylContact O-C 3.53Å; G86-L127 WeakPolarHBondContact O-CA 3.04Å; L88-L127 HydrophobicContact CD2-CD1 4.05Å; L88-L127 HydrophobicContact CD2-CD2 3.92Å; L88-L127 HydrophobicContact CG-CD1 4.4Å; L88-L127 HydrophobicContact CG-CD2 4.27Å; I122-L127 HydrophobicContact CD1-CD1 4.39Å; I122-L127 HydrophobicContact CG2-CD1 3.56Å; T125-L127 HydrophobicContact CG2-CD1 4.19Å; T125-L127 PolarHBondContact OG1-N 3.29Å; L127-G129 VanDerWaalsContact C-N 3.31Å; L127-M150 CarbonylContact O-C 3.27Å; L127-M151 HydrophobicContact CB-CE 3.76Å; L127-M151 HydrophobicContact CD1-CE 4.42Å; L127-M151 VanDerWaalsContact O-CA 3.27Å; L127-M151 WeakPolarHBondContact O-CA 3.25Å; L127-M151 WeakPolarHBondContact O-CB 3.39Å; L127-M151 PolarHBondContact O-N 3.07Å | ||
| 128 | K | 84.4 | Confident | 84.3 | Confident | 121 Ų | 121 | 21.8 Ų | 21.8 | 53% | 0.526 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -80.1 | -12.9 | 177.3 | -76.4 | -172.5 | 179.9 | -174.3 | 0 | 114.1 | S85 G86 K126 M150 C152 | S85-K128 VanDerWaalsContact O-CD 3.3Å; S85-K128 WeakPolarHBondContact O-CD 3.33Å; S85-K128 WeakPolarHBondContact O-CE 3.45Å; S85-K128 WeakPolarHBondContact O-CG 3.44Å; G86-K128 PolarHBondContact O-N 3.02Å; K126-K128 PolarHBondContact O-N 2.03Å; K128-M150 WeakPolarHBondContact CA-O 3.47Å; K128-C152 PolarHBondContact O-N 3.22Å |
| 129 | G | 85.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -175.1 | 172.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109 | D87 L127 C152 | D87-G129 VanDerWaalsContact CB-O 3.32Å; D87-G129 WeakPolarHBondContact CB-O 3.33Å; L127-G129 VanDerWaalsContact C-N 3.31Å; G129-C152 WeakPolarHBondContact CA-O 3.33Å |
| 130 | V | 88.5 | Confident | 83.3 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | trans | -77.7 | -41.2 | 177.6 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | L88 L120 I122 L132 L145 M151 W159 W212 | L88-V130 VanDerWaalsContact CB-O 3.22Å; L88-V130 WeakPolarHBondContact CB-O 3.03Å; L88-V130 WeakPolarHBondContact CG-O 3.31Å; L88-V130 PolarHBondContact N-O 2.96Å; L88-V130 VanDerWaalsContact N-O 3.15Å; L120-V130 HydrophobicContact CD2-CG1 3.85Å; I122-V130 HydrophobicContact CD1-CG1 4.15Å; I122-V130 HydrophobicContact CD1-CG2 4.12Å; V130-L132 VanDerWaalsContact C-N 3.25Å; V130-L132 HydrophobicContact CG1-CB 4.34Å; V130-L132 HydrophobicContact CG1-CD1 3.99Å; V130-L132 HydrophobicContact CG1-CG 3.93Å; V130-L132 PolarHBondContact O-N 3.49Å; V130-L145 HydrophobicContact CG2-CD1 4.47Å; V130-L145 HydrophobicContact CG2-CD2 4.23Å; V130-M151 HydrophobicContact CG2-CE 4.44Å; V130-M151 HydrophobicContact CG2-SD 4.08Å; V130-W159 HydrophobicContact CG2-CH2 4.37Å; V130-W212 HydrophobicContact CB-CE3 3.92Å; V130-W212 HydrophobicContact CB-CZ3 3.8Å; V130-W212 HydrophobicContact CG1-CE3 4.14Å; V130-W212 HydrophobicContact CG1-CZ3 3.65Å | ||
| 131 | G | 88.5 | Confident | 82.1 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | 68.9 | 9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | S89 W133 | S89-G131 VanDerWaalsContact CA-O 3.24Å; S89-G131 WeakPolarHBondContact CA-O 3.33Å; S89-G131 VanDerWaalsContact CB-O 3.24Å; S89-G131 WeakPolarHBondContact CB-O 3.04Å; S89-G131 PolarHBondContact N-O 3.12Å; G131-W133 PolarHBondContact O-N 3.38Å | ||
| 132 | L | 91.5 | Very high | 81.3 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | trans | -78.9 | 60.4 | 179 | -64.8 | 178.4 | 0 | 0 | 0 | 111.2 | L77 L88 F92 L95 I98 L120 V130 K134 L135 W212 | L77-L132 HydrophobicContact CD2-CD1 4.22Å; L88-L132 HydrophobicContact CB-CD2 3.79Å; L88-L132 HydrophobicContact CB-CG 4.33Å; L88-L132 HydrophobicContact CD1-CD1 4.39Å; L88-L132 HydrophobicContact CD1-CD2 4.19Å; L88-L132 HydrophobicContact CD1-CG 4.26Å; F92-L132 HydrophobicContact CB-CD2 3.77Å; F92-L132 HydrophobicContact CD2-CD2 4.17Å; F92-L132 HydrophobicContact CG-CD2 4.41Å; L95-L132 HydrophobicContact CD2-CD1 4.43Å; L95-L132 HydrophobicContact CD2-CD2 4.17Å; I98-L132 HydrophobicContact CD1-CD1 4.31Å; L120-L132 HydrophobicContact CD2-CD1 4.34Å; V130-L132 VanDerWaalsContact C-N 3.25Å; V130-L132 HydrophobicContact CG1-CB 4.34Å; V130-L132 HydrophobicContact CG1-CD1 3.99Å; V130-L132 HydrophobicContact CG1-CG 3.93Å; V130-L132 PolarHBondContact O-N 3.49Å; L132-K134 VanDerWaalsContact C-N 3.33Å; L132-K134 PolarHBondContact O-N 3.17Å; L132-L135 HydrophobicContact CB-CB 3.99Å; L132-L135 HydrophobicContact CB-CD2 4.33Å; L132-L135 HydrophobicContact CD1-CD2 4.37Å; L132-L135 WeakPolarHBondContact O-CB 3.46Å; L132-L135 PolarHBondContact O-N 2.92Å; L132-W212 HydrophobicContact CB-CH2 4.45Å; L132-W212 HydrophobicContact CB-CZ3 4.37Å | ||
| 133 | W | 88.7 | Confident | 80.9 | Confident | 92 Ų | 92 | 35.2 Ų | 35.2 | 35% | 0.348 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -29.1 | -164.9 | 64 | -81.7 | 0 | 0 | 0 | 115.5 | G131 W212 A219 | G131-W133 PolarHBondContact O-N 3.38Å; W133-W212 HydrophobicContact CB-CG 4.38Å; W133-A219 WeakPolarHBondContact O-CB 3.38Å; W133-A219 PolarHBondContact O-N 3.29Å |
| 134 | K | 89 | Confident | 80.5 | Confident | 28 Ų | 28 | 35 Ų | 35 | 12% | 0.122 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -3 | 172.2 | -67 | -154.4 | -171.3 | 179.1 | 0 | 114.3 | N94 L95 T96 L132 K136 V234 D235 | N94-K134 WeakPolarHBondContact OD1-CE 3.48Å; N94-K134 PolarHBondContact OD1-NZ 3.43Å; L95-K134 CarbonylContact O-C 3.54Å; T96-K134 WeakPolarHBondContact CA-O 3.39Å; L132-K134 VanDerWaalsContact C-N 3.33Å; L132-K134 PolarHBondContact O-N 3.17Å; K134-K136 PolarHBondContact O-N 2.82Å; K134-K136 VanDerWaalsContact O-N 3.15Å; K134-V234 HydrophobicContact CD-CG1 4.44Å; K134-D235 IonicContact NZ-OD1 2.78Å |
| 135 | L | 89.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -65.1 | 114.8 | 180 | -176.5 | 70.7 | 0 | 0 | 0 | 110.2 | L95 I98 L132 L138 L162 W212 | L95-L135 PolarHBondContact O-N 2.92Å; I98-L135 HydrophobicContact CD1-CD1 4.06Å; I98-L135 HydrophobicContact CG1-CD1 3.92Å; L132-L135 HydrophobicContact CB-CB 3.99Å; L132-L135 HydrophobicContact CB-CD2 4.33Å; L132-L135 HydrophobicContact CD1-CD2 4.37Å; L132-L135 WeakPolarHBondContact O-CB 3.46Å; L132-L135 PolarHBondContact O-N 2.92Å; L135-L138 HydrophobicContact CD1-CD2 4.24Å; L135-L138 HydrophobicContact CD2-CD1 4.44Å; L135-L138 HydrophobicContact CD2-CD2 3.98Å; L135-L138 HydrophobicContact CD2-CG 4.22Å; L135-L162 HydrophobicContact CD2-CD1 4.2Å; L135-L162 VanDerWaalsContact O-CD2 3.22Å; L135-L162 WeakPolarHBondContact O-CD2 3.43Å; L135-W212 HydrophobicContact CB-CZ2 4.15Å; L135-W212 HydrophobicContact CD2-CH2 3.84Å; L135-W212 HydrophobicContact CD2-CZ2 4.17Å | ||
| 136 | K | 82.9 | Confident | 79.7 | Confident | 16 Ų | 16 | 32.9 Ų | 32.9 | 7% | 0.07 | 15% | 0.151 | C | C | . | . | trans | -108.1 | -20.7 | 178.6 | -69.2 | -180 | -177.2 | -180 | 0 | 113.2 | T96 K134 A219 C232 R247 | T96-K136 HydrophobicContact CG2-CB 4.07Å; T96-K136 HydrophobicContact CG2-CD 4.16Å; T96-K136 HydrophobicContact CG2-CG 4.2Å; T96-K136 PolarHBondContact O-N 2.81Å; K134-K136 PolarHBondContact O-N 2.82Å; K134-K136 VanDerWaalsContact O-N 3.15Å; K136-A219 WeakPolarHBondContact CG-O 3.25Å; K136-C232 PolarHBondContact NZ-SG 3Å; K136-R247 HydrophobicContact CB-CB 4.09Å; K136-R247 VanDerWaalsContact CD-O 3.25Å; K136-R247 WeakPolarHBondContact CD-O 3.38Å; K136-R247 WeakPolarHBondContact O-CD 3.08Å; K136-R247 PolarHBondContact O-NH1 3.37Å | ||
| 137 | S | 78.6 | Confident | 78.9 | Confident | 8 Ų | 8 | 32.4 Ų | 32.4 | 6% | 0.056 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 127.3 | -172.6 | -151.2 | 0 | 0 | 0 | 0 | 114.4 | T96 I98 L162 | T96-S137 PolarHBondContact O-N 3.05Å; T96-S137 VanDerWaalsContact O-N 3.15Å; I98-S137 PolarHBondContact N-O 2.87Å; S137-L162 WeakPolarHBondContact CA-O 3.45Å |
| 138 | L | 77.8 | Confident | 78.1 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 147.2 | 163.5 | -63.5 | 179.2 | 0 | 0 | 0 | 108.9 | I98 N119 L135 I143 W159 L162 T163 | I98-L138 HydrophobicContact CB-CD2 3.92Å; I98-L138 HydrophobicContact CD1-CD2 4.34Å; I98-L138 HydrophobicContact CG1-CD2 4.47Å; N119-L138 HydrophobicContact CB-CD2 3.84Å; L135-L138 HydrophobicContact CD1-CD2 4.24Å; L135-L138 HydrophobicContact CD2-CD1 4.44Å; L135-L138 HydrophobicContact CD2-CD2 3.98Å; L135-L138 HydrophobicContact CD2-CG 4.22Å; L138-I143 HydrophobicContact CD1-CD1 3.95Å; L138-I143 HydrophobicContact CD1-CG1 4.27Å; L138-W159 HydrophobicContact CD1-CE3 4.17Å; L138-W159 HydrophobicContact CD1-CZ3 4.35Å; L138-L162 HydrophobicContact CB-CB 4.39Å; L138-L162 HydrophobicContact CD1-CB 4.16Å; L138-L162 HydrophobicContact CD1-CD1 4.04Å; L138-L162 HydrophobicContact CG-CB 4.15Å; L138-L162 HydrophobicContact CG-CD1 4.5Å; L138-L162 PolarHBondContact N-O 2.84Å; L138-T163 HydrophobicContact CB-CG2 4.44Å; L138-T163 WeakPolarHBondContact O-CA 3.3Å |
| 139 | N | 68.3 | Low | 77.3 | Confident | 77 Ų | 77 | 30.1 Ų | 30.1 | 41% | 0.412 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -87.8 | -14.5 | 179 | -162.7 | 26.9 | 0 | 0 | 0 | 112.9 | R99 N119 | R99-N139 WeakPolarHBondContact O-CB 3.3Å; R99-N139 PolarHBondContact O-ND2 2.95Å; N119-N139 PolarHBondContact ND2-N 3.32Å |
| 140 | S | 63.5 | Low | 76.9 | Confident | 25 Ų | 25 | 34.7 Ų | 34.7 | 18% | 0.175 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -148.3 | 164.5 | 171.8 | 83.4 | 0 | 0 | 0 | 0 | 110.6 | S117 N119 R142 T163 | S117-S140 PolarHBondContact O-OG 3.04Å; N119-S140 WeakPolarHBondContact OD1-CB 3.22Å; N119-S140 PolarHBondContact OD1-N 2.82Å; N119-S140 VanDerWaalsContact OD1-N 3.15Å; N119-S140 PolarHBondContact OD1-OG 2.88Å; S140-R142 PolarHBondContact O-N 2.82Å; S140-R142 WeakPolarHBondContact OG-CB 3.43Å; S140-R142 PolarHBondContact OG-N 3.04Å; S140-T163 VanDerWaalsContact C-CG2 3.46Å |
| 141 | N | 61.9 | Low | 76.5 | Confident | 63 Ų | 63 | 35.8 Ų | 35.8 | 34% | 0.337 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -83.4 | 14.2 | 173.7 | 57.9 | -4.7 | 0 | 0 | 0 | 113.3 | I143 T163 | N141-I143 PolarHBondContact O-N 3.1Å; N141-T163 HydrophobicContact CB-CG2 3.97Å |
| 142 | R | 67.8 | Low | 76.2 | Confident | 113 Ų | 113 | 36.9 Ų | 36.9 | 43% | 0.426 | 19% | 0.185 | S | C | . | . | trans | -89.9 | 103 | -178.9 | -64.4 | 179.7 | 175.5 | -156.1 | -3.3 | 110.7 | S117 Y118 N119 S140 | S117-R142 VanDerWaalsContact O-CB 3.3Å; S117-R142 WeakPolarHBondContact O-CB 3.39Å; S117-R142 VanDerWaalsContact O-CD 3.24Å; S117-R142 WeakPolarHBondContact O-CD 3.02Å; S117-R142 PolarHBondContact OG-NH1 3Å; Y118-R142 CarbonylContact C-O 3.55Å; Y118-R142 WeakPolarHBondContact CA-O 3.32Å; Y118-R142 HydrophobicContact CD1-CB 3.71Å; Y118-R142 HydrophobicContact CE1-CB 4.09Å; Y118-R142 HydrophobicContact CG-CB 4.12Å; N119-R142 PolarHBondContact N-O 3.19Å; S140-R142 PolarHBondContact O-N 2.82Å; S140-R142 WeakPolarHBondContact OG-CB 3.43Å; S140-R142 PolarHBondContact OG-N 3.04Å | ||
| 143 | I | 77 | Confident | 75.9 | Confident | 20 Ų | 20 | 38 Ų | 38 | 10% | 0.103 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 142.2 | 172.6 | -61.2 | 100.5 | 0 | 0 | 0 | 108.2 | L120 L138 N141 L145 W159 | L120-I143 HydrophobicContact CB-CG1 4.18Å; L120-I143 HydrophobicContact CB-CG2 4.04Å; L120-I143 HydrophobicContact CD2-CG2 3.97Å; L120-I143 HydrophobicContact CG-CG2 4.07Å; L120-I143 CarbonylContact O-C 3.55Å; L120-I143 VanDerWaalsContact O-CA 3.31Å; L120-I143 WeakPolarHBondContact O-CA 3.36Å; L138-I143 HydrophobicContact CD1-CD1 3.95Å; L138-I143 HydrophobicContact CD1-CG1 4.27Å; N141-I143 PolarHBondContact O-N 3.1Å; I143-L145 HydrophobicContact CG2-CD1 4.48Å; I143-L145 HydrophobicContact CG2-CD2 3.84Å; I143-L145 HydrophobicContact CG2-CG 3.95Å; I143-W159 HydrophobicContact CD1-CD2 4.01Å; I143-W159 HydrophobicContact CD1-CE3 3.43Å; I143-W159 VanDerWaalsContact CD1-CE3 3.43Å; I143-W159 HydrophobicContact CD1-CZ3 3.85Å; I143-W159 HydrophobicContact CG1-CE3 4.02Å; I143-W159 HydrophobicContact CG1-CZ3 3.89Å; I143-W159 HydrophobicContact CG2-CH2 4.48Å |
| 144 | A | 73 | Confident | 75.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y118 L120 I121 I122 I181 F795 | Y118-A144 HydrophobicContact CD1-CB 3.9Å; Y118-A144 HydrophobicContact CE1-CB 4.04Å; L120-A144 PolarHBondContact O-N 3.49Å; I121-A144 CarbonylContact C-O 3.38Å; I121-A144 WeakPolarHBondContact CA-O 3.03Å; I121-A144 HydrophobicContact CB-CB 4.38Å; I121-A144 HydrophobicContact CG1-CB 4.09Å; I121-A144 HydrophobicContact CG2-CB 4.14Å; I122-A144 PolarHBondContact N-O 2.87Å; I122-A144 VanDerWaalsContact O-O 3.12Å; A144-I181 HydrophobicContact CB-CB 4.2Å; A144-I181 HydrophobicContact CB-CD1 3.61Å; A144-I181 HydrophobicContact CB-CG1 3.86Å; A144-I181 HydrophobicContact CB-CG2 4.45Å; A144-F795 HydrophobicContact CB-CE1 4.32Å; A144-F795 HydrophobicContact CB-CZ 4.39Å |
| 145 | L | 78.2 | Confident | 75 | Confident | 17 Ų | 17 | 38.4 Ų | 38.4 | 9% | 0.089 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 66.1 | -178.6 | -54.4 | 177.8 | 0 | 0 | 0 | 112.3 | I122 V130 I143 N148 M151 V154 I181 | I122-L145 HydrophobicContact CB-CD2 3.91Å; I122-L145 HydrophobicContact CD1-CD2 4.03Å; I122-L145 HydrophobicContact CG1-CD2 4.07Å; I122-L145 CarbonylContact O-C 3.54Å; I122-L145 WeakPolarHBondContact O-CA 3.36Å; V130-L145 HydrophobicContact CG2-CD1 4.47Å; V130-L145 HydrophobicContact CG2-CD2 4.23Å; I143-L145 HydrophobicContact CG2-CD1 4.48Å; I143-L145 HydrophobicContact CG2-CD2 3.84Å; I143-L145 HydrophobicContact CG2-CG 3.95Å; L145-N148 WeakPolarHBondContact CA-ND2 3.45Å; L145-N148 PolarHBondContact O-ND2 2.93Å; L145-M151 HydrophobicContact CB-SD 4.38Å; L145-M151 HydrophobicContact CD1-SD 3.96Å; L145-M151 HydrophobicContact CD2-SD 4.13Å; L145-M151 HydrophobicContact CG-SD 4.38Å; L145-V154 HydrophobicContact CD1-CB 4.41Å; L145-V154 HydrophobicContact CD1-CG1 3.59Å; L145-V154 HydrophobicContact CD1-CG2 3.9Å; L145-I181 PolarHBondContact N-O 2.98Å |
| 146 | I | 67.7 | Low | 74.8 | Confident | 8 Ų | 8 | 39 Ų | 39 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 129.9 | -169.7 | -35.5 | 165.7 | 0 | 0 | 0 | 112.4 | I122 R123 H124 N148 I181 F795 E796 L799 | I122-I146 PolarHBondContact O-N 3.07Å; R123-I146 CarbonylContact C-O 3.6Å; R123-I146 WeakPolarHBondContact CA-O 3.46Å; R123-I146 HydrophobicContact CB-CB 3.83Å; R123-I146 HydrophobicContact CB-CD1 4.22Å; R123-I146 HydrophobicContact CB-CG1 4.24Å; R123-I146 WeakPolarHBondContact CB-O 3.48Å; H124-I146 PolarHBondContact N-O 3.5Å; I146-N148 PolarHBondContact N-ND2 2.86Å; I146-N148 PolarHBondContact O-N 2.65Å; I146-N148 PolarHBondContact O-ND2 2.02Å; I146-I181 HydrophobicContact CB-CG2 3.93Å; I146-I181 HydrophobicContact CG1-CB 4.48Å; I146-I181 HydrophobicContact CG1-CG1 4.25Å; I146-I181 HydrophobicContact CG1-CG2 3.38Å; I146-I181 HydrophobicContact CG2-CG2 4.47Å; I146-F795 HydrophobicContact CD1-CD1 4.26Å; I146-F795 HydrophobicContact CD1-CE1 3.89Å; I146-E796 HydrophobicContact CD1-CG 4.35Å; I146-E796 HydrophobicContact CG2-CG 4.22Å; I146-L799 HydrophobicContact CD1-CD2 3.31Å |
| 147 | D | 68.2 | Low | 74.9 | Confident | 88 Ų | 88 | 38.2 Ų | 38.2 | 47% | 0.471 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 55.6 | 175.1 | -165.2 | 45 | 0 | 0 | 0 | 113.5 | H124 T125 P149 | H124-D147 VanDerWaalsContact CA-O 3.24Å; H124-D147 WeakPolarHBondContact CA-O 3.46Å; H124-D147 IonicContact CD2-OD2 3.56Å; H124-D147 PolarHBondContact CD2-OD2 3.36Å; H124-D147 VanDerWaalsContact CD2-OD2 3.23Å; H124-D147 PolarHBondContact N-O 2.64Å; H124-D147 IonicContact NE2-OD2 3.33Å; T125-D147 PolarHBondContact N-O 2.85Å; D147-P149 WeakPolarHBondContact O-CD 3.27Å |
| 148 | N | 69.7 | Low | 75.3 | Confident | 15 Ų | 15 | 39 Ų | 39 | 8% | 0.08 | 20% | 0.204 | C | C | . | . | trans | -115.7 | 68.4 | 174.8 | -55.7 | -64 | 0 | 0 | 0 | 110.3 | I122 T125 L145 I146 M150 M151 | I122-N148 PolarHBondContact O-ND2 2.8Å; T125-N148 WeakPolarHBondContact CB-OD1 3.24Å; T125-N148 PolarHBondContact N-OD1 2.89Å; T125-N148 WeakPolarHBondContact O-CA 3.4Å; T125-N148 PolarHBondContact OG1-OD1 2.63Å; L145-N148 WeakPolarHBondContact CA-ND2 3.45Å; L145-N148 PolarHBondContact O-ND2 2.93Å; I146-N148 PolarHBondContact N-ND2 2.86Å; I146-N148 PolarHBondContact O-N 2.65Å; I146-N148 PolarHBondContact O-ND2 2.02Å; N148-M150 PolarHBondContact O-N 3.25Å; N148-M151 HydrophobicContact CB-CB 4.04Å; N148-M151 HydrophobicContact CB-CE 3.88Å; N148-M151 HydrophobicContact CB-SD 4.32Å; N148-M151 VanDerWaalsContact O-CB 3.23Å; N148-M151 WeakPolarHBondContact O-CB 3.48Å; N148-M151 PolarHBondContact O-N 2.76Å | ||
| 149 | P | 66.6 | Low | 75.5 | Confident | 59 Ų | 59 | 41 Ų | 41 | 38% | 0.383 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15 | -164.4 | 24.7 | -36.1 | 0 | 0 | 0 | 115.2 | D147 L186 | D147-P149 WeakPolarHBondContact O-CD 3.27Å; P149-L186 HydrophobicContact CB-CD1 4.15Å; P149-L186 WeakPolarHBondContact O-CD1 3.42Å |
| 150 | M | 77.4 | Confident | 75.9 | Confident | 97 Ų | 97 | 42.9 Ų | 42.9 | 48% | 0.478 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -3.5 | 177.7 | -63 | -109.4 | 66.3 | 0 | 0 | 113.2 | K126 L127 K128 N148 C152 | K126-M150 HydrophobicContact CB-CG 4.33Å; K126-M150 WeakPolarHBondContact O-CB 3.41Å; L127-M150 CarbonylContact O-C 3.27Å; K128-M150 WeakPolarHBondContact CA-O 3.47Å; N148-M150 PolarHBondContact O-N 3.25Å; M150-C152 PolarHBondContact O-N 2.87Å |
| 151 | M | 81 | Confident | 76.6 | Confident | 23 Ų | 23 | 43.4 Ų | 43.4 | 11% | 0.113 | 23% | 0.228 | C | C | . | . | trans | -84.6 | 110.3 | -163.8 | -166.4 | 177 | -78.4 | 0 | 0 | 113.2 | I122 L127 V130 L145 N148 V154 | I122-M151 HydrophobicContact CD1-CE 4.33Å; I122-M151 HydrophobicContact CG2-CE 3.98Å; L127-M151 HydrophobicContact CB-CE 3.76Å; L127-M151 HydrophobicContact CD1-CE 4.42Å; L127-M151 VanDerWaalsContact O-CA 3.27Å; L127-M151 WeakPolarHBondContact O-CA 3.25Å; L127-M151 WeakPolarHBondContact O-CB 3.39Å; L127-M151 PolarHBondContact O-N 3.07Å; V130-M151 HydrophobicContact CG2-CE 4.44Å; V130-M151 HydrophobicContact CG2-SD 4.08Å; L145-M151 HydrophobicContact CB-SD 4.38Å; L145-M151 HydrophobicContact CD1-SD 3.96Å; L145-M151 HydrophobicContact CD2-SD 4.13Å; L145-M151 HydrophobicContact CG-SD 4.38Å; N148-M151 HydrophobicContact CB-CB 4.04Å; N148-M151 HydrophobicContact CB-CE 3.88Å; N148-M151 HydrophobicContact CB-SD 4.32Å; N148-M151 VanDerWaalsContact O-CB 3.23Å; N148-M151 WeakPolarHBondContact O-CB 3.48Å; N148-M151 PolarHBondContact O-N 2.76Å; M151-V154 HydrophobicContact CG-CG2 3.72Å; M151-V154 HydrophobicContact SD-CG2 3.86Å | ||
| 152 | C | 81.9 | Confident | 77.5 | Confident | 24 Ų | 24 | 40.6 Ų | 40.6 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | trans | -100 | -176.8 | 167.2 | -60.2 | 0 | 0 | 0 | 0 | 110.4 | K128 G129 M150 V154 C190 D192 | K128-C152 PolarHBondContact O-N 3.22Å; G129-C152 WeakPolarHBondContact CA-O 3.33Å; M150-C152 PolarHBondContact O-N 2.87Å; C152-V154 PolarHBondContact O-N 2.93Å; C152-C190 WeakPolarHBondContact CA-SG 3.46Å; C152-C190 HydrophobicContact CB-CB 3.71Å; C152-C190 WeakPolarHBondContact CB-SG 3.47Å; C152-C190 WeakPolarHBondContact SG-CB 3.26Å; C152-C190 CovalentContact SG-SG 2.04Å; C152-C190 PolarHBondContact SG-SG 2.81Å; C152-D192 WeakPolarHBondContact CB-OD1 3.34Å | ||
| 153 | F | 84.5 | Confident | 77.6 | Confident | 23 Ų | 23 | 36.3 Ų | 36.3 | 10% | 0.101 | 20% | 0.199 | C | C | . | . | trans | 58.1 | 30.9 | 177.6 | -56.2 | -81.5 | 0 | 0 | 0 | 114.6 | T156 D192 W212 T214 | F153-T156 VanDerWaalsContact C-OG1 3.29Å; F153-T156 WeakPolarHBondContact CA-OG1 3.24Å; F153-T156 WeakPolarHBondContact CB-OG1 3.43Å; F153-T156 HydrophobicContact CD1-CG2 4.14Å; F153-T156 PolarHBondContact O-OG1 2.92Å; F153-D192 PolarHBondContact N-OD1 3.43Å; F153-W212 WeakPolarHBondContact CB-O 3.33Å; F153-T214 HydrophobicContact CE1-CG2 4.11Å; F153-T214 HydrophobicContact CE2-CG2 4.32Å; F153-T214 HydrophobicContact CZ-CG2 3.48Å; F153-T214 VanDerWaalsContact CZ-CG2 3.48Å | ||
| 154 | V | 83.3 | Confident | 76.6 | Confident | 14 Ų | 14 | 38.7 Ų | 38.7 | 9% | 0.085 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -87.1 | -39.3 | 174.9 | 178.3 | 0 | 0 | 0 | 0 | 110.9 | L145 M151 C152 W159 V182 | L145-V154 HydrophobicContact CD1-CB 4.41Å; L145-V154 HydrophobicContact CD1-CG1 3.59Å; L145-V154 HydrophobicContact CD1-CG2 3.9Å; M151-V154 HydrophobicContact CG-CG2 3.72Å; M151-V154 HydrophobicContact SD-CG2 3.86Å; C152-V154 PolarHBondContact O-N 2.93Å; V154-W159 PolarHBondContact O-NE1 2.79Å; V154-V182 HydrophobicContact CG1-CG1 4.29Å; V154-V182 HydrophobicContact CG1-CG2 4.08Å |
| 155 | N | 76.6 | Confident | 75.5 | Confident | 116 Ų | 116 | 42.8 Ų | 42.8 | 62% | 0.62 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -84 | -12.7 | -178.7 | -63 | -44.8 | 0 | 0 | 0 | 112.9 | F201 | N155-F201 WeakPolarHBondContact O-CE2 3.03Š|
| 156 | T | 85.3 | Confident | 73.7 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 7% | 0.067 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -84.7 | -16.7 | 178.6 | 53 | 0 | 0 | 0 | 0 | 113.3 | F153 D192 C194 S210 C211 | F153-T156 VanDerWaalsContact C-OG1 3.29Å; F153-T156 WeakPolarHBondContact CA-OG1 3.24Å; F153-T156 WeakPolarHBondContact CB-OG1 3.43Å; F153-T156 HydrophobicContact CD1-CG2 4.14Å; F153-T156 PolarHBondContact O-OG1 2.92Å; T156-D192 HydrophobicContact CG2-CB 3.85Å; T156-D192 VanDerWaalsContact CG2-O 3.26Å; T156-D192 WeakPolarHBondContact CG2-O 3.28Å; T156-C194 VanDerWaalsContact CB-SG 3.58Å; T156-S210 WeakPolarHBondContact O-CA 3.47Å; T156-S210 PolarHBondContact O-OG 3.01Å; T156-C211 CarbonylContact C-O 3.55Å; T156-C211 WeakPolarHBondContact CB-O 3.4Å; T156-C211 PolarHBondContact O-N 2.83Å; T156-C211 PolarHBondContact OG1-O 2.88Å |
| 157 | V | 85.4 | Confident | 72 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -82.7 | 124.2 | 175.6 | 176.6 | 0 | 0 | 0 | 0 | 109.1 | W159 L162 W212 | V157-W159 VanDerWaalsContact C-N 3.31Å; V157-W159 HydrophobicContact CB-CD2 4.23Å; V157-W159 HydrophobicContact CB-CZ2 3.97Å; V157-W159 HydrophobicContact CG1-CD2 3.7Å; V157-W159 HydrophobicContact CG1-CE3 3.96Å; V157-W159 HydrophobicContact CG1-CG 4.17Å; V157-W159 HydrophobicContact CG1-CH2 4.25Å; V157-W159 HydrophobicContact CG1-CZ2 3.99Å; V157-W159 HydrophobicContact CG1-CZ3 4.22Å; V157-W159 HydrophobicContact CG2-CZ2 4.34Å; V157-W159 PolarHBondContact O-N 3.25Å; V157-W159 PolarHBondContact O-NE1 3.4Å; V157-L162 HydrophobicContact CG1-CD1 4.09Å; V157-W212 HydrophobicContact CG1-CE3 4.49Å; V157-W212 HydrophobicContact CG1-CH2 3.74Å; V157-W212 HydrophobicContact CG1-CZ2 3.84Å; V157-W212 HydrophobicContact CG1-CZ3 4.09Å; V157-W212 HydrophobicContact CG2-CD2 3.7Å; V157-W212 HydrophobicContact CG2-CE3 3.54Å; V157-W212 HydrophobicContact CG2-CG 4.22Å; V157-W212 HydrophobicContact CG2-CH2 4.29Å; V157-W212 HydrophobicContact CG2-CZ2 4.45Å; V157-W212 HydrophobicContact CG2-CZ3 3.85Å |
| 158 | N | 85.6 | Confident | 70.1 | Confident | 23 Ų | 23 | 57 Ų | 57 | 12% | 0.123 | 33% | 0.325 | C | S | . | . | trans | -78.2 | 87.2 | 169.8 | -175.1 | -20.5 | 0 | 0 | 0 | 108.6 | N160 A161 F201 Q218 | N158-N160 VanDerWaalsContact C-N 3.26Å; N158-N160 PolarHBondContact O-N 3.39Å; N158-N160 PolarHBondContact OD1-N 2.99Å; N158-A161 HydrophobicContact CB-CB 4.1Å; N158-A161 WeakPolarHBondContact O-CB 3.34Å; N158-A161 PolarHBondContact O-N 3.46Å; N158-A161 PolarHBondContact OD1-N 3.06Å; N158-F201 HydrophobicContact CB-CD1 4.49Å; N158-F201 HydrophobicContact CB-CD2 4.28Å; N158-F201 HydrophobicContact CB-CE1 4.24Å; N158-F201 HydrophobicContact CB-CE2 4.02Å; N158-F201 HydrophobicContact CB-CZ 4Å; N158-F201 PolarHBondContact ND2-O 3.04Å; N158-Q218 PolarHBondContact O-NE2 2.92Å | ||
| 159 | W | 82.7 | Confident | 68.1 | Low | 43 Ų | 43 | 62.6 Ų | 62.6 | 16% | 0.163 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -30.4 | -179.9 | -61 | 100.7 | 0 | 0 | 0 | 113.1 | V130 L138 I143 V154 V157 L162 W212 | V130-W159 HydrophobicContact CG2-CH2 4.37Å; L138-W159 HydrophobicContact CD1-CE3 4.17Å; L138-W159 HydrophobicContact CD1-CZ3 4.35Å; I143-W159 HydrophobicContact CD1-CD2 4.01Å; I143-W159 HydrophobicContact CD1-CE3 3.43Å; I143-W159 VanDerWaalsContact CD1-CE3 3.43Å; I143-W159 HydrophobicContact CD1-CZ3 3.85Å; I143-W159 HydrophobicContact CG1-CE3 4.02Å; I143-W159 HydrophobicContact CG1-CZ3 3.89Å; I143-W159 HydrophobicContact CG2-CH2 4.48Å; V154-W159 PolarHBondContact O-NE1 2.79Å; V157-W159 VanDerWaalsContact C-N 3.31Å; V157-W159 HydrophobicContact CB-CD2 4.23Å; V157-W159 HydrophobicContact CB-CZ2 3.97Å; V157-W159 HydrophobicContact CG1-CD2 3.7Å; V157-W159 HydrophobicContact CG1-CE3 3.96Å; V157-W159 HydrophobicContact CG1-CG 4.17Å; V157-W159 HydrophobicContact CG1-CH2 4.25Å; V157-W159 HydrophobicContact CG1-CZ2 3.99Å; V157-W159 HydrophobicContact CG1-CZ3 4.22Å; V157-W159 HydrophobicContact CG2-CZ2 4.34Å; V157-W159 PolarHBondContact O-N 3.25Å; V157-W159 PolarHBondContact O-NE1 3.4Å; W159-L162 HydrophobicContact CE3-CD1 3.93Å; W159-L162 HydrophobicContact CZ3-CD1 4.31Å; W159-L162 WeakPolarHBondContact O-CB 3.43Å; W159-L162 PolarHBondContact O-N 2.95Å; W159-W212 AromaticContact CH2-CH2 3.99Å; W159-W212 HydrophobicContact CH2-CH2 3.99Å; W159-W212 AromaticContact CH2-CZ3 3.74Å; W159-W212 HydrophobicContact CH2-CZ3 3.74Å; W159-W212 HydrophobicContact CZ2-CZ3 4.45Å; W159-W212 AromaticContact CZ3-CH2 3.88Å; W159-W212 HydrophobicContact CZ3-CH2 3.88Å; W159-W212 HydrophobicContact CZ3-CZ3 4.12Å |
| 160 | N | 76.7 | Confident | 66.2 | Low | 117 Ų | 117 | 69.3 Ų | 69.3 | 63% | 0.626 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -67.7 | -38.4 | 176.4 | -72.1 | -12.5 | 0 | 0 | 0 | 111.4 | N158 L162 T163 | N158-N160 VanDerWaalsContact C-N 3.26Å; N158-N160 PolarHBondContact O-N 3.39Å; N158-N160 PolarHBondContact OD1-N 2.99Å; N160-L162 PolarHBondContact O-N 2.9Å; N160-L162 VanDerWaalsContact O-N 3.16Å; N160-T163 PolarHBondContact O-N 2.97Å; N160-T163 VanDerWaalsContact O-N 3.11Å; N160-T163 PolarHBondContact O-OG1 2.63Å |
| 161 | A | 77.7 | Confident | 63.7 | Low | 37 Ų | 37 | 70.9 Ų | 70.9 | 31% | 0.306 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -61.7 | -21.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | N158 R247 | N158-A161 HydrophobicContact CB-CB 4.1Å; N158-A161 WeakPolarHBondContact O-CB 3.34Å; N158-A161 PolarHBondContact O-N 3.46Å; N158-A161 PolarHBondContact OD1-N 3.06Å; A161-R247 PolarHBondContact O-NH1 2.7Å |
| 162 | L | 80.4 | Confident | 61 | Low | 4 Ų | 4 | 78.6 Ų | 78.6 | 2% | 0.021 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -81.6 | -17.9 | 176.5 | -58.9 | 177.8 | 0 | 0 | 0 | 113.9 | L135 S137 L138 V157 W159 N160 W212 R247 | L135-L162 HydrophobicContact CD2-CD1 4.2Å; L135-L162 VanDerWaalsContact O-CD2 3.22Å; L135-L162 WeakPolarHBondContact O-CD2 3.43Å; S137-L162 WeakPolarHBondContact CA-O 3.45Å; L138-L162 HydrophobicContact CB-CB 4.39Å; L138-L162 HydrophobicContact CD1-CB 4.16Å; L138-L162 HydrophobicContact CD1-CD1 4.04Å; L138-L162 HydrophobicContact CG-CB 4.15Å; L138-L162 HydrophobicContact CG-CD1 4.5Å; L138-L162 PolarHBondContact N-O 2.84Å; V157-L162 HydrophobicContact CG1-CD1 4.09Å; W159-L162 HydrophobicContact CE3-CD1 3.93Å; W159-L162 HydrophobicContact CZ3-CD1 4.31Å; W159-L162 WeakPolarHBondContact O-CB 3.43Å; W159-L162 PolarHBondContact O-N 2.95Å; N160-L162 PolarHBondContact O-N 2.9Å; N160-L162 VanDerWaalsContact O-N 3.16Å; L162-W212 HydrophobicContact CD1-CH2 3.96Å; L162-W212 HydrophobicContact CD1-CZ2 3.88Å; L162-R247 PolarHBondContact O-NH1 2.69Å |
| 163 | T | 70.9 | Confident | 58.4 | Low | 22 Ų | 22 | 81.6 Ų | 81.6 | 14% | 0.135 | 45% | 0.448 | C | S | . | . | trans | -93.1 | 163 | -173.1 | 62.1 | 0 | 0 | 0 | 0 | 114 | L138 S140 N141 N160 R247 | L138-T163 HydrophobicContact CB-CG2 4.44Å; L138-T163 WeakPolarHBondContact O-CA 3.3Å; S140-T163 VanDerWaalsContact C-CG2 3.46Å; N141-T163 HydrophobicContact CB-CG2 3.97Å; N160-T163 PolarHBondContact O-N 2.97Å; N160-T163 VanDerWaalsContact O-N 3.11Å; N160-T163 PolarHBondContact O-OG1 2.63Å; T163-R247 PolarHBondContact O-NH2 2.75Å | ||
| 164 | T | 56.1 | Low | 55.6 | Low | 71 Ų | 71 | 88.5 Ų | 88.5 | 44% | 0.436 | 47% | 0.474 | S | S | . | . | trans | -106.4 | -14.8 | -171.8 | 45 | 0 | 0 | 0 | 0 | 114.9 | L166 | T164-L166 PolarHBondContact O-N 3.33Š| ||
| 165 | S | 48.8 | Very low | 52.9 | Low | 85 Ų | 85 | 93.3 Ų | 93.3 | 59% | 0.594 | 49% | 0.491 | S | S | * | . | trans | -94.4 | 83.4 | -173.2 | 62.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 166 | L | 40.5 | Very low | 50.6 | Low | 166 Ų | 166 | 92.5 Ų | 92.5 | 87% | 0.869 | 49% | 0.494 | S | S | * | . | trans | -79.2 | -16.5 | 169.6 | -82.9 | 159.9 | 0 | 0 | 0 | 113.5 | T164 S168 | T164-L166 PolarHBondContact O-N 3.33Å; L166-S168 PolarHBondContact O-N 2.9Å | ||
| 167 | N | 32 | Very low | 48.1 | Very low | 163 Ų | 163 | 95.2 Ų | 95.2 | 87% | 0.872 | 51% | 0.511 | S | S | * | . | trans | -91.2 | 77.1 | -177.6 | -76.5 | 0.4 | 0 | 0 | 0 | 113.4 | ||||
| 168 | S | 29 | Very low | 45.7 | Very low | 83 Ų | 83 | 104.9 Ų | 104.9 | 58% | 0.58 | 55% | 0.547 | S | S | * | . | trans | -151.6 | 90.2 | 152.1 | 65.2 | 0 | 0 | 0 | 0 | 111.2 | L166 Y170 | L166-S168 PolarHBondContact O-N 2.9Å; S168-Y170 PolarHBondContact O-N 2.71Å | ||
| 169 | V | 28.1 | Very low | 43.5 | Very low | 132 Ų | 132 | 105.3 Ų | 105.3 | 80% | 0.8 | 55% | 0.548 | S | S | * | . | trans | -75.9 | 67.3 | 171.2 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 170 | Y | 25.4 | Very low | 41.5 | Very low | 200 Ų | 200 | 107.9 Ų | 107.9 | 78% | 0.784 | 56% | 0.562 | S | S | * | * | trans | -124.8 | 58.6 | 167 | -102.9 | -81.9 | 0 | 0 | 0 | 108.6 | S168 K172 | S168-Y170 PolarHBondContact O-N 2.71Å; Y170-K172 PolarHBondContact O-N 2.82Å | ||
| 171 | T | 24.9 | Very low | 39.7 | Very low | 130 Ų | 130 | 103.2 Ų | 103.2 | 80% | 0.798 | 54% | 0.537 | S | S | * | . | trans | -72.5 | 48.1 | 172.8 | 37.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 172 | K | 25.9 | Very low | 37.9 | Very low | 185 Ų | 185 | 105.5 Ų | 105.5 | 80% | 0.804 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -95.8 | 99 | 159.6 | -86.5 | -167 | 172.3 | -174.4 | 0 | 109.1 | Y170 | Y170-K172 PolarHBondContact O-N 2.82Š|
| 173 | S | 25.8 | Very low | 36.1 | Very low | 88 Ų | 88 | 109 Ų | 109 | 62% | 0.615 | 56% | 0.56 | S | S | * | * | trans | 57.3 | 72.7 | 155.3 | -79.4 | 0 | 0 | 0 | 0 | 117.6 | R175 | S173-R175 PolarHBondContact O-N 3.32Š| ||
| 174 | Y | 25.4 | Very low | 34.6 | Very low | 168 Ų | 168 | 114.1 Ų | 114.1 | 66% | 0.659 | 58% | 0.578 | S | S | * | * | trans | -64.2 | 108.7 | 163.4 | -105.1 | -100.3 | 0 | 0 | 0 | 111 | V177 | Y174-V177 HydrophobicContact CD1-CB 4.27Å; Y174-V177 HydrophobicContact CD1-CG2 4.01Å; Y174-V177 HydrophobicContact CE1-CB 4.45Å; Y174-V177 HydrophobicContact CE1-CG1 4.49Å; Y174-V177 HydrophobicContact CE1-CG2 4.09Å | ||
| 175 | R | 27 | Very low | 33.5 | Very low | 115 Ų | 115 | 117.2 Ų | 117.2 | 43% | 0.434 | 59% | 0.592 | S | S | . | * | trans | -132.9 | -55.7 | 171.7 | -80.8 | 171.1 | -160.4 | 171.8 | -3.7 | 113.3 | S173 V177 R178 H776 F777 | S173-R175 PolarHBondContact O-N 3.32Å; R175-V177 PolarHBondContact O-N 3.34Å; R175-R178 PolarHBondContact O-N 3.45Å; R175-H776 VanDerWaalsContact CZ-O 3.31Å; R175-H776 PolarHBondContact NE-O 2.84Å; R175-H776 PolarHBondContact NH2-O 3.22Å; R175-F777 HydrophobicContact CB-CD1 3.12Å; R175-F777 HydrophobicContact CB-CD2 3.87Å; R175-F777 HydrophobicContact CB-CE1 2.65Å; R175-F777 HydrophobicContact CB-CE2 3.52Å; R175-F777 HydrophobicContact CB-CG 3.73Å; R175-F777 HydrophobicContact CB-CZ 2.87Å; R175-F777 HydrophobicContact CG-CB 3.66Å; R175-F777 HydrophobicContact CG-CD1 2.3Å; R175-F777 HydrophobicContact CG-CD2 2.3Å; R175-F777 HydrophobicContact CG-CE1 2.31Å; R175-F777 HydrophobicContact CG-CE2 2.31Å; R175-F777 HydrophobicContact CG-CG 2.32Å; R175-F777 HydrophobicContact CG-CZ 2.3Å | ||
| 176 | S | 29.7 | Very low | 33.1 | Very low | 98 Ų | 98 | 117.1 Ų | 117.1 | 69% | 0.685 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 14.6 | -171.2 | 54.9 | 0 | 0 | 0 | 0 | 116.2 | ||
| 177 | V | 32.3 | Very low | 33.1 | Very low | 68 Ų | 68 | 112.4 Ų | 112.4 | 41% | 0.412 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.9 | -19.1 | -175.4 | -172 | 0 | 0 | 0 | 0 | 112.4 | Y174 R175 E179 | Y174-V177 HydrophobicContact CD1-CB 4.27Å; Y174-V177 HydrophobicContact CD1-CG2 4.01Å; Y174-V177 HydrophobicContact CE1-CB 4.45Å; Y174-V177 HydrophobicContact CE1-CG1 4.49Å; Y174-V177 HydrophobicContact CE1-CG2 4.09Å; R175-V177 PolarHBondContact O-N 3.34Å; V177-E179 PolarHBondContact O-N 2.64Å |
| 178 | R | 34 | Very low | 33.8 | Very low | 204 Ų | 204 | 113.4 Ų | 113.4 | 77% | 0.77 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -3.1 | 179.4 | -155.7 | 176.4 | -170.9 | 162.5 | 5.8 | 114 | R175 | R175-R178 PolarHBondContact O-N 3.45Š|
| 179 | E | 40.9 | Very low | 35.1 | Very low | 33 Ų | 33 | 117.4 Ų | 117.4 | 15% | 0.154 | 58% | 0.582 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -133.9 | -7.5 | -158 | -50.5 | -153.5 | 136.3 | 0 | 0 | 113.4 | V177 I181 R183 Y781 E788 | V177-E179 PolarHBondContact O-N 2.64Å; E179-I181 PolarHBondContact O-N 2.56Å; E179-R183 VanDerWaalsContact CD-NE 3.32Å; E179-R183 IonicContact OE1-CZ 3.51Å; E179-R183 VanDerWaalsContact OE1-CZ 3.23Å; E179-R183 IonicContact OE1-NE 3.68Å; E179-R183 PolarHBondContact OE1-NE 3.07Å; E179-R183 IonicContact OE1-NH2 2.72Å; E179-R183 PolarHBondContact OE1-NH2 3.23Å; E179-R183 IonicContact OE2-CZ 2.74Å; E179-R183 IonicContact OE2-NE 2.67Å; E179-R183 IonicContact OE2-NH1 3.05Å; E179-R183 IonicContact OE2-NH2 3.66Å; E179-R183 PolarHBondContact OE2-NH2 2.98Å; E179-Y781 PolarHBondContact OE1-OH 2.83Å; E179-E788 VanDerWaalsContact OE2-CD 3.22Å |
| 180 | Q | 39.9 | Very low | 36.9 | Very low | 97 Ų | 97 | 112.4 Ų | 112.4 | 45% | 0.453 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -76.4 | 76.5 | 169.9 | -66 | -173.2 | 23.1 | 0 | 0 | 109 | ||
| 181 | I | 38.1 | Very low | 38.9 | Very low | 19 Ų | 19 | 107.2 Ų | 107.2 | 10% | 0.097 | 54% | 0.543 | C | S | . | . | S | Bend | trans | 72.3 | 57.2 | 171.4 | -32.5 | 91.6 | 0 | 0 | 0 | 118 | Y118 A144 L145 I146 E179 F795 | Y118-I181 HydrophobicContact CE1-CD1 3.6Å; A144-I181 HydrophobicContact CB-CB 4.2Å; A144-I181 HydrophobicContact CB-CD1 3.61Å; A144-I181 HydrophobicContact CB-CG1 3.86Å; A144-I181 HydrophobicContact CB-CG2 4.45Å; L145-I181 PolarHBondContact N-O 2.98Å; I146-I181 HydrophobicContact CB-CG2 3.93Å; I146-I181 HydrophobicContact CG1-CB 4.48Å; I146-I181 HydrophobicContact CG1-CG1 4.25Å; I146-I181 HydrophobicContact CG1-CG2 3.38Å; I146-I181 HydrophobicContact CG2-CG2 4.47Å; E179-I181 PolarHBondContact O-N 2.56Å; I181-F795 HydrophobicContact CD1-CD1 4.43Å; I181-F795 HydrophobicContact CD1-CE1 3.8Å; I181-F795 HydrophobicContact CD1-CZ 4.26Å; I181-F795 HydrophobicContact CG1-CD1 4.36Å; I181-F795 HydrophobicContact CG1-CE1 3.92Å |
| 182 | V | 40.6 | Very low | 41.3 | Very low | 85 Ų | 85 | 102.9 Ų | 102.9 | 52% | 0.515 | 52% | 0.515 | S | S | . | . | trans | -132.8 | 59.9 | 144.7 | -168.4 | 0 | 0 | 0 | 0 | 109.3 | V154 | V154-V182 HydrophobicContact CG1-CG1 4.29Å; V154-V182 HydrophobicContact CG1-CG2 4.08Å | ||
| 183 | R | 43.7 | Very low | 44 | Very low | 78 Ų | 78 | 101.1 Ų | 101.1 | 29% | 0.294 | 51% | 0.51 | S | S | . | . | trans | -140.5 | 85 | -174.1 | -86.5 | 175.5 | 150.6 | -145.8 | 0.5 | 112.2 | E179 E788 | E179-R183 VanDerWaalsContact CD-NE 3.32Å; E179-R183 IonicContact OE1-CZ 3.51Å; E179-R183 VanDerWaalsContact OE1-CZ 3.23Å; E179-R183 IonicContact OE1-NE 3.68Å; E179-R183 PolarHBondContact OE1-NE 3.07Å; E179-R183 IonicContact OE1-NH2 2.72Å; E179-R183 PolarHBondContact OE1-NH2 3.23Å; E179-R183 IonicContact OE2-CZ 2.74Å; E179-R183 IonicContact OE2-NE 2.67Å; E179-R183 IonicContact OE2-NH1 3.05Å; E179-R183 IonicContact OE2-NH2 3.66Å; E179-R183 PolarHBondContact OE2-NH2 2.98Å; R183-E788 IonicContact CZ-OE2 3.88Å; R183-E788 VanDerWaalsContact NH1-CG 3.31Å; R183-E788 IonicContact NH1-OE2 2.71Å; R183-E788 PolarHBondContact NH1-OE2 2.04Å; R183-E788 IonicContact NH2-OE2 3.73Å; R183-E788 PolarHBondContact NH2-OE2 3.43Å | ||
| 184 | Y | 37.6 | Very low | 46.8 | Very low | 129 Ų | 129 | 98.1 Ų | 98.1 | 51% | 0.506 | 49% | 0.488 | S | S | . | . | S | Bend | -177.4 | 111.3 | 129.7 | -91.7 | -54.7 | 0 | 0 | 0 | 109.5 | R789 M792 | Y184-R789 PolarHBondContact OH-NE 2.97Å; Y184-M792 HydrophobicContact CD2-SD 4.05Å; Y184-M792 HydrophobicContact CE2-CE 4.02Å; Y184-M792 HydrophobicContact CE2-SD 3.73Å | |
| 185 | N | 34.4 | Very low | 49.6 | Very low | 136 Ų | 136 | 92.4 Ų | 92.4 | 73% | 0.727 | 47% | 0.473 | S | S | * | . | S | Bend | trans | 46.5 | 107.8 | 165.7 | -58.8 | 10.9 | 0 | 0 | 0 | 118.7 | ||
| 186 | L | 39.6 | Very low | 52.3 | Low | 83 Ų | 83 | 90.3 Ų | 90.3 | 44% | 0.435 | 48% | 0.481 | S | S | . | . | 175.9 | 11.3 | 123.5 | -95.5 | 156.3 | 0 | 0 | 0 | 116.2 | P149 E188 F189 | P149-L186 HydrophobicContact CB-CD1 4.15Å; P149-L186 WeakPolarHBondContact O-CD1 3.42Å; L186-E188 PolarHBondContact O-N 3.07Å; L186-F189 HydrophobicContact CD2-CB 3.99Å; L186-F189 HydrophobicContact CD2-CD2 3.72Å; L186-F189 HydrophobicContact CD2-CG 4.12Å; L186-F189 PolarHBondContact O-N 3.31Å | |||
| 187 | G | 40.8 | Very low | 54.9 | Low | 66 Ų | 66 | 90.3 Ų | 90.3 | 68% | 0.68 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -55.7 | -23.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 117 | F189 | G187-F189 PolarHBondContact O-N 2.77Š|
| 188 | E | 47.6 | Very low | 57.6 | Low | 185 Ų | 185 | 87.4 Ų | 87.4 | 86% | 0.864 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -71.4 | -9 | 174.9 | -68.6 | -177.6 | 126.8 | 0 | 0 | 114.3 | L186 | L186-E188 PolarHBondContact O-N 3.07Š|
| 189 | F | 54.7 | Low | 59.9 | Low | 166 Ų | 166 | 79 Ų | 79 | 73% | 0.728 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -123.5 | -0.7 | -174.8 | -66.5 | -89.6 | 0 | 0 | 0 | 114.3 | L186 G187 | L186-F189 HydrophobicContact CD2-CB 3.99Å; L186-F189 HydrophobicContact CD2-CD2 3.72Å; L186-F189 HydrophobicContact CD2-CG 4.12Å; L186-F189 PolarHBondContact O-N 3.31Å; G187-F189 PolarHBondContact O-N 2.77Å |
| 190 | C | 67.2 | Low | 62 | Low | 27 Ų | 27 | 79.9 Ų | 79.9 | 18% | 0.182 | 44% | 0.443 | C | S | . | . | trans | -90.4 | 127.8 | 171.6 | -71.9 | 0 | 0 | 0 | 0 | 109.8 | C152 D192 | C152-C190 WeakPolarHBondContact CA-SG 3.46Å; C152-C190 HydrophobicContact CB-CB 3.71Å; C152-C190 WeakPolarHBondContact CB-SG 3.47Å; C152-C190 WeakPolarHBondContact SG-CB 3.26Å; C152-C190 CovalentContact SG-SG 2.04Å; C152-C190 PolarHBondContact SG-SG 2.81Å; C190-D192 VanDerWaalsContact C-N 3.33Å; C190-D192 WeakPolarHBondContact CB-OD1 3.4Å | ||
| 191 | P | 65.8 | Low | 63.9 | Low | 92 Ų | 92 | 76.8 Ų | 76.8 | 60% | 0.597 | 43% | 0.429 | S | S | * | . | trans | -71.3 | -28.6 | 175.3 | 28.2 | -33.6 | 0 | 0 | 0 | 112.5 | Q193 | P191-Q193 HydrophobicContact CB-CG 4.49Å; P191-Q193 WeakPolarHBondContact O-CG 3.49Å; P191-Q193 PolarHBondContact O-N 2.84Å | ||
| 192 | D | 76.7 | Confident | 65.6 | Low | 38 Ų | 38 | 82 Ų | 82 | 20% | 0.203 | 45% | 0.448 | C | S | . | . | trans | 45.1 | 29.2 | 179.8 | -83.9 | 18.8 | 0 | 0 | 0 | 114.9 | C152 F153 T156 C190 C194 | C152-D192 WeakPolarHBondContact CB-OD1 3.34Å; F153-D192 PolarHBondContact N-OD1 3.43Å; T156-D192 HydrophobicContact CG2-CB 3.85Å; T156-D192 VanDerWaalsContact CG2-O 3.26Å; T156-D192 WeakPolarHBondContact CG2-O 3.28Å; C190-D192 VanDerWaalsContact C-N 3.33Å; C190-D192 WeakPolarHBondContact CB-OD1 3.4Å; D192-C194 PolarHBondContact O-N 3.41Å | ||
| 193 | Q | 82.2 | Confident | 66.9 | Low | 149 Ų | 149 | 85.4 Ų | 85.4 | 70% | 0.696 | 45% | 0.452 | S | S | * | . | trans | -81.5 | 112.5 | 178.1 | -67.7 | -175.3 | -5.8 | 0 | 0 | 110.8 | P191 | P191-Q193 HydrophobicContact CB-CG 4.49Å; P191-Q193 WeakPolarHBondContact O-CG 3.49Å; P191-Q193 PolarHBondContact O-N 2.84Å | ||
| 194 | C | 84.6 | Confident | 67.8 | Low | 24 Ų | 24 | 89.4 Ų | 89.4 | 16% | 0.162 | 48% | 0.479 | C | S | . | . | trans | -83 | 148.6 | 166.9 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | T156 D192 F209 C211 | T156-C194 VanDerWaalsContact CB-SG 3.58Å; D192-C194 PolarHBondContact O-N 3.41Å; C194-F209 HydrophobicContact CB-CB 3.9Å; C194-F209 PolarHBondContact SG-O 3.46Å; C194-C211 WeakPolarHBondContact CA-SG 3.42Å; C194-C211 HydrophobicContact CB-CB 3.72Å; C194-C211 WeakPolarHBondContact CB-SG 3.36Å; C194-C211 WeakPolarHBondContact SG-CB 3.33Å; C194-C211 PolarHBondContact SG-N 3.03Å; C194-C211 VanDerWaalsContact SG-N 3.41Å; C194-C211 CovalentContact SG-SG 2.03Å; C194-C211 PolarHBondContact SG-SG 2.85Å | ||
| 195 | S | 84.6 | Confident | 69.1 | Low | 49 Ų | 49 | 85.9 Ų | 85.9 | 34% | 0.343 | 47% | 0.469 | S | S | . | . | trans | -61.7 | 140.7 | 169.2 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | S197 C198 | S195-S197 WeakPolarHBondContact CB-OG 3.16Å; S195-S197 PolarHBondContact O-N 3.28Å; S195-S197 VanDerWaalsContact O-N 3.09Å; S195-S197 PolarHBondContact OG-N 2.77Å; S195-S197 VanDerWaalsContact OG-N 3.16Å; S195-S197 PolarHBondContact OG-OG 3.01Å; S195-C198 VanDerWaalsContact O-CB 3.29Å; S195-C198 WeakPolarHBondContact O-CB 3.09Å; S195-C198 PolarHBondContact O-N 3.43Å; S195-C198 PolarHBondContact O-SG 3.5Å | ||
| 196 | A | 82.8 | Confident | 70.7 | Confident | 71 Ų | 71 | 82.3 Ų | 82.3 | 59% | 0.587 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -6.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | C198 F209 | A196-C198 VanDerWaalsContact C-N 3.29Å; A196-F209 HydrophobicContact CB-CE2 3.96Å; A196-F209 HydrophobicContact CB-CZ 3.94Å |
| 197 | S | 85.4 | Confident | 72.2 | Confident | 97 Ų | 97 | 82.2 Ų | 82.2 | 68% | 0.678 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -3.9 | 168.6 | 69.7 | 0 | 0 | 0 | 0 | 114 | S195 | S195-S197 WeakPolarHBondContact CB-OG 3.16Å; S195-S197 PolarHBondContact O-N 3.28Å; S195-S197 VanDerWaalsContact O-N 3.09Å; S195-S197 PolarHBondContact OG-N 2.77Å; S195-S197 VanDerWaalsContact OG-N 3.16Å; S195-S197 PolarHBondContact OG-OG 3.01Å |
| 198 | C | 87.6 | Confident | 74 | Confident | 7 Ų | 7 | 86.7 Ų | 86.7 | 5% | 0.047 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -87.6 | 161.9 | 176.2 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | S195 A196 F209 C217 | S195-C198 VanDerWaalsContact O-CB 3.29Å; S195-C198 WeakPolarHBondContact O-CB 3.09Å; S195-C198 PolarHBondContact O-N 3.43Å; S195-C198 PolarHBondContact O-SG 3.5Å; A196-C198 VanDerWaalsContact C-N 3.29Å; C198-F209 HydrophobicContact CB-CB 4.08Å; C198-F209 VanDerWaalsContact O-CD1 3.27Å; C198-F209 WeakPolarHBondContact O-CD1 3.36Å; C198-C217 WeakPolarHBondContact CA-SG 3.23Å; C198-C217 HydrophobicContact CB-CB 3.58Å; C198-C217 WeakPolarHBondContact CB-SG 3.46Å; C198-C217 WeakPolarHBondContact SG-CA 3.24Å; C198-C217 WeakPolarHBondContact SG-CB 3.27Å; C198-C217 CovalentContact SG-SG 2.04Å; C198-C217 PolarHBondContact SG-SG 3.01Å |
| 199 | P | 83.8 | Confident | 75.9 | Confident | 29 Ų | 29 | 79.9 Ų | 79.9 | 19% | 0.188 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 146.9 | 174.7 | -21.6 | 33.5 | 0 | 0 | 0 | 112 | F209 S210 E220 | P199-F209 CarbonylContact O-C 3.56Å; P199-F209 VanDerWaalsContact O-CA 3.22Å; P199-F209 WeakPolarHBondContact O-CA 3.07Å; P199-F209 WeakPolarHBondContact O-CB 3.42Å; P199-S210 PolarHBondContact O-N 2.96Å; P199-E220 HydrophobicContact CB-CG 4.27Å; P199-E220 VanDerWaalsContact CB-OE2 3.28Å; P199-E220 WeakPolarHBondContact CB-OE2 3.34Å; P199-E220 HydrophobicContact CG-CB 4.33Å; P199-E220 HydrophobicContact CG-CG 4.05Å |
| 200 | P | 83.1 | Confident | 77.6 | Confident | 50 Ų | 50 | 72 Ų | 72 | 33% | 0.325 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 140.7 | 174.9 | 30.9 | -35 | 0 | 0 | 0 | 110.8 | Y202 R208 | P200-Y202 VanDerWaalsContact C-N 3.27Å; P200-Y202 PolarHBondContact O-N 3.26Å; P200-R208 CarbonylContact C-O 3.58Å; P200-R208 WeakPolarHBondContact CA-O 3.04Å |
| 201 | F | 80.9 | Confident | 78.7 | Confident | 33 Ų | 33 | 70.7 Ų | 70.7 | 15% | 0.145 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | -33.5 | -173.1 | -168 | -75.4 | 0 | 0 | 0 | 112.2 | N155 N158 R208 S210 | N155-F201 WeakPolarHBondContact O-CE2 3.03Å; N158-F201 HydrophobicContact CB-CD1 4.49Å; N158-F201 HydrophobicContact CB-CD2 4.28Å; N158-F201 HydrophobicContact CB-CE1 4.24Å; N158-F201 HydrophobicContact CB-CE2 4.02Å; N158-F201 HydrophobicContact CB-CZ 4Å; N158-F201 PolarHBondContact ND2-O 3.04Å; F201-R208 HydrophobicContact CB-CB 3.91Å; F201-R208 PolarHBondContact N-O 3.06Å; F201-S210 WeakPolarHBondContact CD2-OG 3.48Å |
| 202 | Y | 73.9 | Confident | 79.9 | Confident | 127 Ų | 127 | 66.3 Ų | 66.3 | 50% | 0.498 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 140.7 | 166.2 | -54.5 | -76.3 | 0 | 0 | 0 | 108.6 | P200 N204 D205 | P200-Y202 VanDerWaalsContact C-N 3.27Å; P200-Y202 PolarHBondContact O-N 3.26Å; Y202-N204 PolarHBondContact O-N 2.8Å; Y202-D205 HydrophobicContact CD2-CB 4.3Å; Y202-D205 PolarHBondContact O-N 3.35Å |
| 203 | R | 67.4 | Low | 80.3 | Confident | 158 Ų | 158 | 65.4 Ų | 65.4 | 60% | 0.596 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -24.5 | -178.9 | -72.1 | -172.1 | 177.1 | -166.2 | -0.3 | 114.4 | T226 D227 | R203-T226 PolarHBondContact NH2-OG1 2.72Å; R203-T226 VanDerWaalsContact NH2-OG1 3.1Å; R203-D227 IonicContact CZ-OD1 2.63Å; R203-D227 VanDerWaalsContact CZ-OD1 3.3Å; R203-D227 IonicContact CZ-OD2 2.63Å; R203-D227 IonicContact NH1-OD1 3.69Å; R203-D227 PolarHBondContact NH1-OD1 3.06Å; R203-D227 IonicContact NH1-OD2 2.72Å; R203-D227 PolarHBondContact NH1-OD2 2.83Å; R203-D227 IonicContact NH2-OD1 2.85Å; R203-D227 PolarHBondContact NH2-OD1 2.9Å; R203-D227 IonicContact NH2-OD2 3.19Å |
| 204 | N | 63.8 | Low | 80.4 | Confident | 162 Ų | 162 | 61.7 Ų | 61.7 | 87% | 0.866 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.5 | -0.3 | -176.1 | -61.9 | 10.8 | 0 | 0 | 0 | 114.1 | Y202 | Y202-N204 PolarHBondContact O-N 2.8Š|
| 205 | D | 64 | Low | 80.3 | Confident | 55 Ų | 55 | 67.2 Ų | 67.2 | 29% | 0.294 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 106.9 | -179.3 | 176.7 | 15.2 | 0 | 0 | 0 | 110.8 | Y202 S207 | Y202-D205 HydrophobicContact CD2-CB 4.3Å; Y202-D205 PolarHBondContact O-N 3.35Å; D205-S207 VanDerWaalsContact C-N 3.32Å; D205-S207 VanDerWaalsContact CG-OG 3.26Å; D205-S207 WeakPolarHBondContact OD1-CB 3.09Å; D205-S207 PolarHBondContact OD1-N 3.38Å; D205-S207 PolarHBondContact OD1-OG 2.96Å; D205-S207 PolarHBondContact OD2-OG 3.29Å; D205-S207 VanDerWaalsContact OD2-OG 3.1Å |
| 206 | S | 67.2 | Low | 80.4 | Confident | 60 Ų | 60 | 66.1 Ų | 66.1 | 42% | 0.42 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 7.1 | 177.4 | 58.5 | 0 | 0 | 0 | 0 | 114.2 | F209 | S206-F209 WeakPolarHBondContact O-CZ 3.24Å |
| 207 | S | 71.7 | Confident | 80.8 | Confident | 82 Ų | 82 | 64.6 Ų | 64.6 | 57% | 0.573 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -15.9 | 176.5 | 76 | 0 | 0 | 0 | 0 | 113.7 | D205 | D205-S207 VanDerWaalsContact C-N 3.32Å; D205-S207 VanDerWaalsContact CG-OG 3.26Å; D205-S207 WeakPolarHBondContact OD1-CB 3.09Å; D205-S207 PolarHBondContact OD1-N 3.38Å; D205-S207 PolarHBondContact OD1-OG 2.96Å; D205-S207 PolarHBondContact OD2-OG 3.29Å; D205-S207 VanDerWaalsContact OD2-OG 3.1Å |
| 208 | R | 79.4 | Confident | 80.9 | Confident | 159 Ų | 159 | 60.2 Ų | 60.2 | 60% | 0.6 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 140.9 | 179.7 | -67.4 | -178.4 | 175.7 | 178.5 | 1 | 110.6 | P200 F201 | P200-R208 CarbonylContact C-O 3.58Å; P200-R208 WeakPolarHBondContact CA-O 3.04Å; F201-R208 HydrophobicContact CB-CB 3.91Å; F201-R208 PolarHBondContact N-O 3.06Å |
| 209 | F | 87.8 | Confident | 80.7 | Confident | 43 Ų | 43 | 61.3 Ų | 61.3 | 19% | 0.189 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 156.7 | 178.6 | -53.8 | -83.7 | 0 | 0 | 0 | 110.8 | C194 A196 C198 P199 S206 | C194-F209 HydrophobicContact CB-CB 3.9Å; C194-F209 PolarHBondContact SG-O 3.46Å; A196-F209 HydrophobicContact CB-CE2 3.96Å; A196-F209 HydrophobicContact CB-CZ 3.94Å; C198-F209 HydrophobicContact CB-CB 4.08Å; C198-F209 VanDerWaalsContact O-CD1 3.27Å; C198-F209 WeakPolarHBondContact O-CD1 3.36Å; P199-F209 CarbonylContact O-C 3.56Å; P199-F209 VanDerWaalsContact O-CA 3.22Å; P199-F209 WeakPolarHBondContact O-CA 3.07Å; P199-F209 WeakPolarHBondContact O-CB 3.42Å; S206-F209 WeakPolarHBondContact O-CZ 3.24Å |
| 210 | S | 89.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | trans | -100.7 | 119.3 | -178 | -77.4 | 0 | 0 | 0 | 0 | 113.6 | T156 P199 F201 Q218 | T156-S210 WeakPolarHBondContact O-CA 3.47Å; T156-S210 PolarHBondContact O-OG 3.01Å; P199-S210 PolarHBondContact O-N 2.96Å; F201-S210 WeakPolarHBondContact CD2-OG 3.48Å; S210-Q218 PolarHBondContact O-N 2.87Å | ||
| 211 | C | 91 | Very high | 80.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 155 | 179.8 | 73.9 | 0 | 0 | 0 | 0 | 113.2 | T156 C194 S213 S216 | T156-C211 CarbonylContact C-O 3.55Å; T156-C211 WeakPolarHBondContact CB-O 3.4Å; T156-C211 PolarHBondContact O-N 2.83Å; T156-C211 PolarHBondContact OG1-O 2.88Å; C194-C211 WeakPolarHBondContact CA-SG 3.42Å; C194-C211 HydrophobicContact CB-CB 3.72Å; C194-C211 WeakPolarHBondContact CB-SG 3.36Å; C194-C211 WeakPolarHBondContact SG-CB 3.33Å; C194-C211 PolarHBondContact SG-N 3.03Å; C194-C211 VanDerWaalsContact SG-N 3.41Å; C194-C211 CovalentContact SG-SG 2.03Å; C194-C211 PolarHBondContact SG-SG 2.85Å; C211-S213 WeakPolarHBondContact CB-O 3.45Å; C211-S213 PolarHBondContact SG-O 2.77Å; C211-S213 VanDerWaalsContact SG-O 3.33Å; C211-S216 WeakPolarHBondContact CA-O 3.4Å; C211-S216 WeakPolarHBondContact CB-O 3.1Å |
| 212 | W | 90.1 | Very high | 80.4 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -17.8 | 174.9 | -64.9 | 91.4 | 0 | 0 | 0 | 113 | V130 L132 W133 L135 F153 V157 W159 L162 S216 | V130-W212 HydrophobicContact CB-CE3 3.92Å; V130-W212 HydrophobicContact CB-CZ3 3.8Å; V130-W212 HydrophobicContact CG1-CE3 4.14Å; V130-W212 HydrophobicContact CG1-CZ3 3.65Å; L132-W212 HydrophobicContact CB-CH2 4.45Å; L132-W212 HydrophobicContact CB-CZ3 4.37Å; W133-W212 HydrophobicContact CB-CG 4.38Å; L135-W212 HydrophobicContact CB-CZ2 4.15Å; L135-W212 HydrophobicContact CD2-CH2 3.84Å; L135-W212 HydrophobicContact CD2-CZ2 4.17Å; F153-W212 WeakPolarHBondContact CB-O 3.33Å; V157-W212 HydrophobicContact CG1-CE3 4.49Å; V157-W212 HydrophobicContact CG1-CH2 3.74Å; V157-W212 HydrophobicContact CG1-CZ2 3.84Å; V157-W212 HydrophobicContact CG1-CZ3 4.09Å; V157-W212 HydrophobicContact CG2-CD2 3.7Å; V157-W212 HydrophobicContact CG2-CE3 3.54Å; V157-W212 HydrophobicContact CG2-CG 4.22Å; V157-W212 HydrophobicContact CG2-CH2 4.29Å; V157-W212 HydrophobicContact CG2-CZ2 4.45Å; V157-W212 HydrophobicContact CG2-CZ3 3.85Å; W159-W212 AromaticContact CH2-CH2 3.99Å; W159-W212 HydrophobicContact CH2-CH2 3.99Å; W159-W212 AromaticContact CH2-CZ3 3.74Å; W159-W212 HydrophobicContact CH2-CZ3 3.74Å; W159-W212 HydrophobicContact CZ2-CZ3 4.45Å; W159-W212 AromaticContact CZ3-CH2 3.88Å; W159-W212 HydrophobicContact CZ3-CH2 3.88Å; W159-W212 HydrophobicContact CZ3-CZ3 4.12Å; L162-W212 HydrophobicContact CD1-CH2 3.96Å; L162-W212 HydrophobicContact CD1-CZ2 3.88Å; W212-S216 PolarHBondContact N-O 2.83Å |
| 213 | S | 85.8 | Confident | 80.7 | Confident | 18 Ų | 18 | 59.6 Ų | 59.6 | 13% | 0.126 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.8 | 171.4 | 172.2 | 77.1 | 0 | 0 | 0 | 0 | 108.6 | C211 N215 S216 | C211-S213 WeakPolarHBondContact CB-O 3.45Å; C211-S213 PolarHBondContact SG-O 2.77Å; C211-S213 VanDerWaalsContact SG-O 3.33Å; S213-N215 PolarHBondContact O-N 3.17Å; S213-N215 PolarHBondContact OG-N 3.05Å; S213-S216 PolarHBondContact N-O 3.34Å; S213-S216 PolarHBondContact O-N 2.84Å; S213-S216 WeakPolarHBondContact OG-CB 3.47Å; S213-S216 PolarHBondContact OG-N 2.79Å; S213-S216 PolarHBondContact OG-OG 2.71Å |
| 214 | T | 83.5 | Confident | 81.5 | Confident | 71 Ų | 71 | 56.2 Ų | 56.2 | 44% | 0.436 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.1 | -31 | 173.9 | 55.5 | 0 | 0 | 0 | 0 | 113.7 | F153 | F153-T214 HydrophobicContact CE1-CG2 4.11Å; F153-T214 HydrophobicContact CE2-CG2 4.32Å; F153-T214 HydrophobicContact CZ-CG2 3.48Å; F153-T214 VanDerWaalsContact CZ-CG2 3.48Å |
| 215 | N | 82.5 | Confident | 82.5 | Confident | 140 Ų | 140 | 48.5 Ų | 48.5 | 75% | 0.749 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111 | 0.9 | -170.8 | -60.9 | 13.9 | 0 | 0 | 0 | 112.8 | S213 | S213-N215 PolarHBondContact O-N 3.17Å; S213-N215 PolarHBondContact OG-N 3.05Å |
| 216 | S | 87.8 | Confident | 83.1 | Confident | 26 Ų | 26 | 48.7 Ų | 48.7 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 94.1 | -172.8 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | C211 W212 S213 | C211-S216 WeakPolarHBondContact CA-O 3.4Å; C211-S216 WeakPolarHBondContact CB-O 3.1Å; W212-S216 PolarHBondContact N-O 2.83Å; S213-S216 PolarHBondContact N-O 3.34Å; S213-S216 PolarHBondContact O-N 2.84Å; S213-S216 WeakPolarHBondContact OG-CB 3.47Å; S213-S216 PolarHBondContact OG-N 2.79Å; S213-S216 PolarHBondContact OG-OG 2.71Å |
| 217 | C | 90.3 | Very high | 83.6 | Confident | 39 Ų | 39 | 50.6 Ų | 50.6 | 26% | 0.264 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 158.5 | 174.4 | -54.4 | 0 | 0 | 0 | 0 | 112.2 | C198 A219 | C198-C217 WeakPolarHBondContact CA-SG 3.23Å; C198-C217 HydrophobicContact CB-CB 3.58Å; C198-C217 WeakPolarHBondContact CB-SG 3.46Å; C198-C217 WeakPolarHBondContact SG-CA 3.24Å; C198-C217 WeakPolarHBondContact SG-CB 3.27Å; C198-C217 CovalentContact SG-SG 2.04Å; C198-C217 PolarHBondContact SG-SG 3.01Å; C217-A219 PolarHBondContact O-N 3.09Å |
| 218 | Q | 89.4 | Confident | 83.9 | Confident | 6 Ų | 6 | 52.1 Ų | 52.1 | 3% | 0.028 | 29% | 0.285 | C | S | . | . | trans | -69.6 | 127 | 170 | -177.4 | 162.6 | -24.1 | 0 | 0 | 109.8 | N158 S210 E220 | N158-Q218 PolarHBondContact O-NE2 2.92Å; S210-Q218 PolarHBondContact O-N 2.87Å; Q218-E220 PolarHBondContact O-N 2.8Å | ||
| 219 | A | 83 | Confident | 83.8 | Confident | 29 Ų | 29 | 46.6 Ų | 46.6 | 24% | 0.24 | 28% | 0.278 | C | S | . | . | trans | -76.2 | 89.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | W133 K136 C217 | W133-A219 WeakPolarHBondContact O-CB 3.38Å; W133-A219 PolarHBondContact O-N 3.29Å; K136-A219 WeakPolarHBondContact CG-O 3.25Å; C217-A219 PolarHBondContact O-N 3.09Å | ||
| 220 | E | 78.8 | Confident | 83.6 | Confident | 76 Ų | 76 | 46.9 Ų | 46.9 | 36% | 0.355 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -85.4 | 161.3 | 171.9 | -61.5 | -164.7 | 152.7 | 0 | 0 | 112.6 | P199 Q218 | P199-E220 HydrophobicContact CB-CG 4.27Å; P199-E220 VanDerWaalsContact CB-OE2 3.28Å; P199-E220 WeakPolarHBondContact CB-OE2 3.34Å; P199-E220 HydrophobicContact CG-CB 4.33Å; P199-E220 HydrophobicContact CG-CG 4.05Å; Q218-E220 PolarHBondContact O-N 2.8Å |
| 221 | C | 80.8 | Confident | 83.3 | Confident | 20 Ų | 20 | 47 Ų | 47 | 14% | 0.135 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -91.7 | 157.9 | 167.8 | -70.8 | 0 | 0 | 0 | 0 | 110.1 | C225 T226 C232 | C221-C225 HydrophobicContact CB-CB 4.35Å; C221-T226 HydrophobicContact CB-CG2 3.81Å; C221-C232 WeakPolarHBondContact CA-SG 3.32Å; C221-C232 HydrophobicContact CB-CB 3.59Å; C221-C232 WeakPolarHBondContact CB-SG 3.48Å; C221-C232 WeakPolarHBondContact SG-CB 3.24Å; C221-C232 PolarHBondContact SG-N 2.84Å; C221-C232 VanDerWaalsContact SG-N 3.44Å; C221-C232 CovalentContact SG-SG 2.03Å; C221-C232 PolarHBondContact SG-SG 3.21Å |
| 222 | N | 81.9 | Confident | 83 | Confident | 38 Ų | 38 | 47 Ų | 47 | 20% | 0.203 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 135.8 | 170 | 176.7 | -29.4 | 0 | 0 | 0 | 109.5 | V224 C225 T226 P237 Q238 | N222-V224 PolarHBondContact O-N 3.27Å; N222-V224 VanDerWaalsContact O-N 3.11Å; N222-V224 WeakPolarHBondContact OD1-CB 3.3Å; N222-V224 WeakPolarHBondContact OD1-CG2 3.17Å; N222-V224 PolarHBondContact OD1-N 2.77Å; N222-C225 WeakPolarHBondContact O-CA 3.41Å; N222-C225 WeakPolarHBondContact O-CB 3.28Å; N222-C225 PolarHBondContact O-N 3.2Å; N222-T226 PolarHBondContact O-N 3.26Å; N222-P237 VanDerWaalsContact CB-O 3.29Å; N222-P237 WeakPolarHBondContact CB-O 3.35Å; N222-P237 PolarHBondContact N-O 2.81Å; N222-Q238 PolarHBondContact ND2-OE1 2.95Å |
| 223 | P | 79.4 | Confident | 82.9 | Confident | 70 Ų | 70 | 48.8 Ų | 48.8 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -42.2 | -41.7 | 172 | -33.3 | 36.8 | 0 | 0 | 0 | 114.6 | C225 T226 D227 | P223-C225 PolarHBondContact O-N 3.49Å; P223-C225 VanDerWaalsContact O-N 3.13Å; P223-T226 WeakPolarHBondContact CA-OG1 3.49Å; P223-T226 PolarHBondContact O-N 3.16Å; P223-T226 VanDerWaalsContact O-N 3.09Å; P223-T226 PolarHBondContact O-OG1 2.88Å; P223-D227 WeakPolarHBondContact O-CB 3.33Å; P223-D227 PolarHBondContact O-N 2.76Å |
| 224 | V | 83.5 | Confident | 82.6 | Confident | 87 Ų | 87 | 49.3 Ų | 49.3 | 53% | 0.527 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.1 | -31 | 176.3 | 178 | 0 | 0 | 0 | 0 | 112.8 | N222 N228 | N222-V224 PolarHBondContact O-N 3.27Å; N222-V224 VanDerWaalsContact O-N 3.11Å; N222-V224 WeakPolarHBondContact OD1-CB 3.3Å; N222-V224 WeakPolarHBondContact OD1-CG2 3.17Å; N222-V224 PolarHBondContact OD1-N 2.77Å; V224-N228 PolarHBondContact O-ND2 3.48Å |
| 225 | C | 85.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -81.5 | -47.8 | 172.7 | -51.2 | 0 | 0 | 0 | 0 | 111.5 | C221 N222 P223 D227 N228 G229 L230 C232 C240 | C221-C225 HydrophobicContact CB-CB 4.35Å; N222-C225 WeakPolarHBondContact O-CA 3.41Å; N222-C225 WeakPolarHBondContact O-CB 3.28Å; N222-C225 PolarHBondContact O-N 3.2Å; P223-C225 PolarHBondContact O-N 3.49Å; P223-C225 VanDerWaalsContact O-N 3.13Å; C225-D227 VanDerWaalsContact C-N 3.34Å; C225-D227 PolarHBondContact O-N 2.87Å; C225-N228 PolarHBondContact O-N 3.29Å; C225-G229 PolarHBondContact O-N 3.39Å; C225-L230 HydrophobicContact CB-CB 4.33Å; C225-L230 WeakPolarHBondContact O-CA 3.48Å; C225-L230 WeakPolarHBondContact O-CB 3.36Å; C225-L230 PolarHBondContact O-N 3.26Å; C225-C232 HydrophobicContact CB-CB 4.38Å; C225-C240 WeakPolarHBondContact CA-SG 3.41Å; C225-C240 HydrophobicContact CB-CB 3.88Å; C225-C240 WeakPolarHBondContact CB-SG 3.49Å; C225-C240 WeakPolarHBondContact SG-CA 2.99Å; C225-C240 WeakPolarHBondContact SG-CB 3.05Å; C225-C240 PolarHBondContact SG-N 3.49Å; C225-C240 CovalentContact SG-SG 2.05Å; C225-C240 PolarHBondContact SG-SG 3.28Å |
| 226 | T | 77.5 | Confident | 82.5 | Confident | 59 Ų | 59 | 47.5 Ų | 47.5 | 36% | 0.362 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.8 | -37.4 | -175.6 | 58.2 | 0 | 0 | 0 | 0 | 113 | R203 C221 N222 P223 N228 G229 | R203-T226 PolarHBondContact NH2-OG1 2.72Å; R203-T226 VanDerWaalsContact NH2-OG1 3.1Å; C221-T226 HydrophobicContact CB-CG2 3.81Å; N222-T226 PolarHBondContact O-N 3.26Å; P223-T226 WeakPolarHBondContact CA-OG1 3.49Å; P223-T226 PolarHBondContact O-N 3.16Å; P223-T226 VanDerWaalsContact O-N 3.09Å; P223-T226 PolarHBondContact O-OG1 2.88Å; T226-N228 VanDerWaalsContact C-N 3.32Å; T226-G229 PolarHBondContact O-N 2.82Å |
| 227 | D | 77.1 | Confident | 82.2 | Confident | 99 Ų | 99 | 48.8 Ų | 48.8 | 53% | 0.529 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -78.2 | -24 | -173.8 | -58.5 | -3.2 | 0 | 0 | 0 | 110.5 | R203 P223 C225 G229 | R203-D227 IonicContact CZ-OD1 2.63Å; R203-D227 VanDerWaalsContact CZ-OD1 3.3Å; R203-D227 IonicContact CZ-OD2 2.63Å; R203-D227 IonicContact NH1-OD1 3.69Å; R203-D227 PolarHBondContact NH1-OD1 3.06Å; R203-D227 IonicContact NH1-OD2 2.72Å; R203-D227 PolarHBondContact NH1-OD2 2.83Å; R203-D227 IonicContact NH2-OD1 2.85Å; R203-D227 PolarHBondContact NH2-OD1 2.9Å; R203-D227 IonicContact NH2-OD2 3.19Å; P223-D227 WeakPolarHBondContact O-CB 3.33Å; P223-D227 PolarHBondContact O-N 2.76Å; C225-D227 VanDerWaalsContact C-N 3.34Å; C225-D227 PolarHBondContact O-N 2.87Å; D227-G229 VanDerWaalsContact C-N 3.33Å |
| 228 | N | 78.4 | Confident | 81.9 | Confident | 114 Ų | 114 | 53.2 Ų | 53.2 | 61% | 0.61 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | 5.6 | 165.5 | -73.4 | -59.4 | 0 | 0 | 0 | 113.5 | V224 C225 T226 L230 | V224-N228 PolarHBondContact O-ND2 3.48Å; C225-N228 PolarHBondContact O-N 3.29Å; T226-N228 VanDerWaalsContact C-N 3.32Å; N228-L230 HydrophobicContact CB-CD1 4.18Å; N228-L230 HydrophobicContact CB-CG 4.05Å; N228-L230 PolarHBondContact O-N 3.25Å |
| 229 | G | 76.6 | Confident | 81.9 | Confident | 43 Ų | 43 | 59.1 Ų | 59.1 | 44% | 0.443 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 22.9 | 180 | 0 | 0 | 0 | 0 | 0 | 115 | C225 T226 D227 K261 | C225-G229 PolarHBondContact O-N 3.39Å; T226-G229 PolarHBondContact O-N 2.82Å; D227-G229 VanDerWaalsContact C-N 3.33Å; G229-K261 PolarHBondContact O-NZ 2.95Å |
| 230 | L | 84.1 | Confident | 82.2 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | trans | -96.6 | 153.8 | 179.9 | -57.7 | 179.4 | 0 | 0 | 0 | 112 | C225 N228 C240 | C225-L230 HydrophobicContact CB-CB 4.33Å; C225-L230 WeakPolarHBondContact O-CA 3.48Å; C225-L230 WeakPolarHBondContact O-CB 3.36Å; C225-L230 PolarHBondContact O-N 3.26Å; N228-L230 HydrophobicContact CB-CD1 4.18Å; N228-L230 HydrophobicContact CB-CG 4.05Å; N228-L230 PolarHBondContact O-N 3.25Å; L230-C240 HydrophobicContact CB-CB 4.22Å; L230-C240 HydrophobicContact CD1-CB 3.8Å | ||
| 231 | A | 81.9 | Confident | 82.7 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | trans | -74.7 | 169.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | C240 C241 C245 R247 | A231-C240 CarbonylContact O-C 3.47Å; A231-C240 VanDerWaalsContact O-CA 3.28Å; A231-C240 WeakPolarHBondContact O-CA 3.29Å; A231-C241 VanDerWaalsContact C-SG 3.56Å; A231-C241 HydrophobicContact CB-CB 3.78Å; A231-C241 VanDerWaalsContact CB-SG 3.57Å; A231-C241 PolarHBondContact O-N 3.38Å; A231-C245 HydrophobicContact CB-CB 4Å; A231-C245 WeakPolarHBondContact CB-O 3.32Å; A231-R247 VanDerWaalsContact CB-CA 3.48Å | ||
| 232 | C | 86.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 151.9 | 169.3 | 69.6 | 0 | 0 | 0 | 0 | 112.6 | K136 C221 C225 K239 G248 | K136-C232 PolarHBondContact NZ-SG 3Å; C221-C232 WeakPolarHBondContact CA-SG 3.32Å; C221-C232 HydrophobicContact CB-CB 3.59Å; C221-C232 WeakPolarHBondContact CB-SG 3.48Å; C221-C232 WeakPolarHBondContact SG-CB 3.24Å; C221-C232 PolarHBondContact SG-N 2.84Å; C221-C232 VanDerWaalsContact SG-N 3.44Å; C221-C232 CovalentContact SG-SG 2.03Å; C221-C232 PolarHBondContact SG-SG 3.21Å; C225-C232 HydrophobicContact CB-CB 4.38Å; C232-K239 CarbonylContact C-O 3.48Å; C232-K239 VanDerWaalsContact CA-O 3.25Å; C232-K239 WeakPolarHBondContact CA-O 3.43Å; C232-K239 WeakPolarHBondContact CB-O 3.31Å; C232-G248 WeakPolarHBondContact O-CA 3.47Å |
| 233 | H | 87.3 | Confident | 83.6 | Confident | 37 Ų | 37 | 58.4 Ų | 58.4 | 17% | 0.171 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 140.3 | -178.2 | -173.5 | -77.9 | 0 | 0 | 0 | 111.7 | D235 N236 K239 C249 T250 | H233-D235 IonicContact CE1-OD2 3.19Å; H233-D235 PolarHBondContact ND1-N 2.83Å; H233-D235 PolarHBondContact O-N 2.91Å; H233-N236 HydrophobicContact CB-CB 4.37Å; H233-N236 WeakPolarHBondContact CB-O 3.32Å; H233-N236 PolarHBondContact ND1-N 2.89Å; H233-N236 CarbonylContact O-C 3.52Å; H233-N236 PolarHBondContact O-N 3.14Å; H233-K239 HydrophobicContact CB-CB 4.03Å; H233-K239 PolarHBondContact N-O 2.83Å; H233-C249 WeakPolarHBondContact CA-O 3.43Å; H233-T250 PolarHBondContact NE2-O 3.02Å |
| 234 | V | 78.6 | Confident | 84.1 | Confident | 28 Ų | 28 | 56.3 Ų | 56.3 | 17% | 0.17 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -53.6 | -173.7 | 177.1 | 0 | 0 | 0 | 0 | 111.4 | K134 C249 L258 | K134-V234 HydrophobicContact CD-CG1 4.44Å; V234-C249 WeakPolarHBondContact CG2-O 3.47Å; V234-C249 PolarHBondContact N-O 2.78Å; V234-L258 HydrophobicContact CG2-CD1 3.29Å; V234-L258 HydrophobicContact CG2-CD2 4.19Å; V234-L258 HydrophobicContact CG2-CG 3.88Å |
| 235 | D | 79.5 | Confident | 84.2 | Confident | 114 Ų | 114 | 52.2 Ų | 52.2 | 61% | 0.61 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 5.4 | -174.7 | -42.3 | -73.5 | 0 | 0 | 0 | 113.6 | K134 H233 | K134-D235 IonicContact NZ-OD1 2.78Å; H233-D235 IonicContact CE1-OD2 3.19Å; H233-D235 PolarHBondContact ND1-N 2.83Å; H233-D235 PolarHBondContact O-N 2.91Å |
| 236 | N | 85.1 | Confident | 83.6 | Confident | 59 Ų | 59 | 53.2 Ų | 53.2 | 32% | 0.316 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 86.2 | 178.8 | -169.2 | -23.8 | 0 | 0 | 0 | 111.6 | H233 Q238 K239 | H233-N236 HydrophobicContact CB-CB 4.37Å; H233-N236 WeakPolarHBondContact CB-O 3.32Å; H233-N236 PolarHBondContact ND1-N 2.89Å; H233-N236 CarbonylContact O-C 3.52Å; H233-N236 PolarHBondContact O-N 3.14Å; N236-Q238 PolarHBondContact O-N 3.37Å; N236-Q238 WeakPolarHBondContact OD1-CB 3.49Å; N236-Q238 PolarHBondContact OD1-N 3.46Å; N236-K239 PolarHBondContact O-N 2.93Å |
| 237 | P | 81.7 | Confident | 83.3 | Confident | 53 Ų | 53 | 54 Ų | 54 | 34% | 0.344 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | -11.2 | -177.7 | -26.8 | 36.3 | 0 | 0 | 0 | 116.2 | N222 | N222-P237 VanDerWaalsContact CB-O 3.29Å; N222-P237 WeakPolarHBondContact CB-O 3.35Å; N222-P237 PolarHBondContact N-O 2.81Å |
| 238 | Q | 84.1 | Confident | 83.5 | Confident | 132 Ų | 132 | 49.3 Ų | 49.3 | 62% | 0.617 | 27% | 0.269 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | -21.8 | 176.1 | -55.6 | -65.2 | -24.2 | 0 | 0 | 112.9 | N222 N236 | N222-Q238 PolarHBondContact ND2-OE1 2.95Å; N236-Q238 PolarHBondContact O-N 3.37Å; N236-Q238 WeakPolarHBondContact OD1-CB 3.49Å; N236-Q238 PolarHBondContact OD1-N 3.46Å |
| 239 | K | 89.4 | Confident | 83.9 | Confident | 131 Ų | 131 | 44 Ų | 44 | 57% | 0.57 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 117 | 177.2 | -69.2 | -171.8 | 177.2 | -173.4 | 0 | 109.8 | C232 H233 N236 | C232-K239 CarbonylContact C-O 3.48Å; C232-K239 VanDerWaalsContact CA-O 3.25Å; C232-K239 WeakPolarHBondContact CA-O 3.43Å; C232-K239 WeakPolarHBondContact CB-O 3.31Å; H233-K239 HydrophobicContact CB-CB 4.03Å; H233-K239 PolarHBondContact N-O 2.83Å; N236-K239 PolarHBondContact O-N 2.93Å |
| 240 | C | 88.8 | Confident | 84.3 | Confident | 40 Ų | 40 | 45.9 Ų | 45.9 | 27% | 0.27 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 155.1 | 170.6 | -46 | 0 | 0 | 0 | 0 | 110.9 | C225 L230 A231 | C225-C240 WeakPolarHBondContact CA-SG 3.41Å; C225-C240 HydrophobicContact CB-CB 3.88Å; C225-C240 WeakPolarHBondContact CB-SG 3.49Å; C225-C240 WeakPolarHBondContact SG-CA 2.99Å; C225-C240 WeakPolarHBondContact SG-CB 3.05Å; C225-C240 PolarHBondContact SG-N 3.49Å; C225-C240 CovalentContact SG-SG 2.05Å; C225-C240 PolarHBondContact SG-SG 3.28Å; L230-C240 HydrophobicContact CB-CB 4.22Å; L230-C240 HydrophobicContact CD1-CB 3.8Å; A231-C240 CarbonylContact O-C 3.47Å; A231-C240 VanDerWaalsContact O-CA 3.28Å; A231-C240 WeakPolarHBondContact O-CA 3.29Å |
| 241 | C | 89.9 | Confident | 84.3 | Confident | 8 Ų | 8 | 43.8 Ų | 43.8 | 5% | 0.054 | 23% | 0.234 | C | C | . | . | trans | -92.6 | 177.6 | 174.5 | -53.9 | 0 | 0 | 0 | 0 | 111.4 | A231 C245 C249 | A231-C241 VanDerWaalsContact C-SG 3.56Å; A231-C241 HydrophobicContact CB-CB 3.78Å; A231-C241 VanDerWaalsContact CB-SG 3.57Å; A231-C241 PolarHBondContact O-N 3.38Å; C241-C245 HydrophobicContact CB-CB 3.64Å; C241-C249 VanDerWaalsContact CA-SG 3.54Å; C241-C249 HydrophobicContact CB-CB 3.68Å; C241-C249 WeakPolarHBondContact CB-SG 3.4Å; C241-C249 WeakPolarHBondContact SG-CB 3.33Å; C241-C249 PolarHBondContact SG-N 2.99Å; C241-C249 VanDerWaalsContact SG-N 3.45Å; C241-C249 CovalentContact SG-SG 2.02Å; C241-C249 PolarHBondContact SG-SG 2.93Å | ||
| 242 | D | 91.4 | Very high | 84.5 | Confident | 40 Ų | 40 | 48.4 Ų | 48.4 | 21% | 0.214 | 26% | 0.264 | C | S | . | . | trans | -53.6 | 150.2 | 163.7 | -167.5 | -85.9 | 0 | 0 | 0 | 112.1 | E244 C245 P254 | D242-E244 PolarHBondContact O-N 3.24Å; D242-E244 WeakPolarHBondContact OD1-CB 3.35Å; D242-E244 PolarHBondContact OD1-N 3.1Å; D242-C245 WeakPolarHBondContact O-CB 3.37Å; D242-C245 PolarHBondContact O-N 3.42Å; D242-P254 HydrophobicContact CB-CB 4.22Å; D242-P254 WeakPolarHBondContact OD2-CD 3.42Å | ||
| 243 | S | 89.2 | Confident | 84.6 | Confident | 59 Ų | 59 | 50.4 Ų | 50.4 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -28.3 | 174.7 | 35.3 | 0 | 0 | 0 | 0 | 114.6 | K261 | S243-K261 WeakPolarHBondContact O-CD 3.31Å; S243-K261 PolarHBondContact O-NZ 2.7Å |
| 244 | E | 90 | Very high | 84.7 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 12% | 0.121 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 0.1 | 179.3 | -60.1 | -51.6 | 132.3 | 0 | 0 | 113.9 | D242 C260 K261 H262 C269 L270 N271 | D242-E244 PolarHBondContact O-N 3.24Å; D242-E244 WeakPolarHBondContact OD1-CB 3.35Å; D242-E244 PolarHBondContact OD1-N 3.1Å; E244-C260 CarbonylContact O-C 3.53Å; E244-C260 WeakPolarHBondContact O-CA 3.38Å; E244-K261 WeakPolarHBondContact O-CB 3.27Å; E244-K261 PolarHBondContact O-N 2.93Å; E244-H262 IonicContact OE1-CE1 3.25Å; E244-H262 IonicContact OE1-ND1 3.16Å; E244-H262 IonicContact OE2-CE1 3.83Å; E244-H262 IonicContact OE2-CG 3.93Å; E244-H262 IonicContact OE2-ND1 3.39Å; E244-H262 PolarHBondContact OE2-ND1 2.82Å; E244-C269 HydrophobicContact CB-CB 3.85Å; E244-L270 VanDerWaalsContact OE2-C 3.27Å; E244-N271 WeakPolarHBondContact OE1-CB 3.27Å; E244-N271 VanDerWaalsContact OE2-CA 3.24Å; E244-N271 WeakPolarHBondContact OE2-CA 3.48Å; E244-N271 WeakPolarHBondContact OE2-CB 3.45Å; E244-N271 PolarHBondContact OE2-N 3.34Å |
| 245 | C | 86.9 | Confident | 85.2 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -85.6 | 132.9 | 175.2 | -60.4 | 0 | 0 | 0 | 0 | 112.8 | A231 C241 D242 C257 | A231-C245 HydrophobicContact CB-CB 4Å; A231-C245 WeakPolarHBondContact CB-O 3.32Å; C241-C245 HydrophobicContact CB-CB 3.64Å; D242-C245 WeakPolarHBondContact O-CB 3.37Å; D242-C245 PolarHBondContact O-N 3.42Å; C245-C257 WeakPolarHBondContact CA-SG 3.36Å; C245-C257 HydrophobicContact CB-CB 3.67Å; C245-C257 WeakPolarHBondContact CB-SG 3.29Å; C245-C257 WeakPolarHBondContact SG-CA 3.33Å; C245-C257 WeakPolarHBondContact SG-CB 3.47Å; C245-C257 CovalentContact SG-SG 2.03Å; C245-C257 PolarHBondContact SG-SG 2.03Å |
| 246 | S | 73 | Confident | 85.6 | Confident | 21 Ų | 21 | 51.4 Ų | 51.4 | 15% | 0.147 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -93 | 104.5 | 174.9 | -159.8 | 0 | 0 | 0 | 0 | 111.2 | I97 G248 S259 C260 | I97-S246 WeakPolarHBondContact CD1-O 3.38Å; S246-G248 PolarHBondContact O-N 2.94Å; S246-S259 WeakPolarHBondContact CB-O 3.25Å; S246-S259 PolarHBondContact N-O 3.12Å; S246-C260 WeakPolarHBondContact CB-O 3.45Å |
| 247 | R | 71 | Confident | 85.7 | Confident | 76 Ų | 76 | 49.4 Ų | 49.4 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 49.6 | -1.5 | 175.9 | -60.3 | -158.4 | 178.1 | -163.5 | -0.2 | 119.5 | K136 A161 L162 T163 A231 | K136-R247 HydrophobicContact CB-CB 4.09Å; K136-R247 VanDerWaalsContact CD-O 3.25Å; K136-R247 WeakPolarHBondContact CD-O 3.38Å; K136-R247 WeakPolarHBondContact O-CD 3.08Å; K136-R247 PolarHBondContact O-NH1 3.37Å; A161-R247 PolarHBondContact O-NH1 2.7Å; L162-R247 PolarHBondContact O-NH1 2.69Å; T163-R247 PolarHBondContact O-NH2 2.75Å; A231-R247 VanDerWaalsContact CB-CA 3.48Å |
| 248 | G | 80.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 160 | 164.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | C232 S246 L258 | C232-G248 WeakPolarHBondContact O-CA 3.47Å; S246-G248 PolarHBondContact O-N 2.94Å; G248-L258 PolarHBondContact O-N 3.15Å |
| 249 | C | 86.8 | Confident | 85.2 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 159.8 | 178.2 | 61.1 | 0 | 0 | 0 | 0 | 112 | H233 V234 C241 G251 Q256 | H233-C249 WeakPolarHBondContact CA-O 3.43Å; V234-C249 WeakPolarHBondContact CG2-O 3.47Å; V234-C249 PolarHBondContact N-O 2.78Å; C241-C249 VanDerWaalsContact CA-SG 3.54Å; C241-C249 HydrophobicContact CB-CB 3.68Å; C241-C249 WeakPolarHBondContact CB-SG 3.4Å; C241-C249 WeakPolarHBondContact SG-CB 3.33Å; C241-C249 PolarHBondContact SG-N 2.99Å; C241-C249 VanDerWaalsContact SG-N 3.45Å; C241-C249 CovalentContact SG-SG 2.02Å; C241-C249 PolarHBondContact SG-SG 2.93Å; C249-G251 VanDerWaalsContact CB-O 3.31Å; C249-G251 WeakPolarHBondContact CB-O 3.39Å; C249-G251 PolarHBondContact SG-O 3.04Å; C249-Q256 CarbonylContact C-O 3.52Å; C249-Q256 VanDerWaalsContact CA-O 3.24Å; C249-Q256 WeakPolarHBondContact CA-O 3.27Å; C249-Q256 VanDerWaalsContact CB-O 3.29Å; C249-Q256 WeakPolarHBondContact CB-O 3.48Å |
| 250 | T | 85.5 | Confident | 84.8 | Confident | 83 Ų | 83 | 36.7 Ų | 36.7 | 51% | 0.509 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -98.1 | 4.5 | 171.1 | 55.9 | 0 | 0 | 0 | 0 | 113 | H233 Q256 L258 | H233-T250 PolarHBondContact NE2-O 3.02Å; T250-Q256 PolarHBondContact N-O 3.13Å; T250-Q256 PolarHBondContact OG1-O 2.79Å; T250-L258 HydrophobicContact CG2-CD2 4.09Å |
| 251 | G | 84.8 | Confident | 84.3 | Confident | 6 Ų | 6 | 39 Ų | 39 | 6% | 0.062 | 22% | 0.219 | C | C | . | . | S | Bend | trans | 177.2 | 173.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | C249 S253 Q256 | C249-G251 VanDerWaalsContact CB-O 3.31Å; C249-G251 WeakPolarHBondContact CB-O 3.39Å; C249-G251 PolarHBondContact SG-O 3.04Å; G251-S253 VanDerWaalsContact C-N 3.3Å; G251-S253 PolarHBondContact O-N 2.78Å; G251-Q256 VanDerWaalsContact C-OE1 3.29Å; G251-Q256 VanDerWaalsContact CA-OE1 3.29Å |
| 252 | P | 86 | Confident | 84 | Confident | 100 Ų | 100 | 42.4 Ų | 42.4 | 65% | 0.649 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -78.1 | -7.8 | -171.2 | 32.7 | -37.2 | 0 | 0 | 0 | 114.5 | ||
| 253 | S | 87.5 | Confident | 83.8 | Confident | 42 Ų | 42 | 40.9 Ų | 40.9 | 29% | 0.294 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -84.6 | 148.1 | -175.7 | -178.4 | 0 | 0 | 0 | 0 | 112.6 | G251 N255 Q256 | G251-S253 VanDerWaalsContact C-N 3.3Å; G251-S253 PolarHBondContact O-N 2.78Å; S253-N255 VanDerWaalsContact CB-OD1 3.25Å; S253-N255 WeakPolarHBondContact CB-OD1 3.42Å; S253-N255 PolarHBondContact O-N 3.19Å; S253-N255 VanDerWaalsContact O-N 3.1Å; S253-N255 PolarHBondContact OG-OD1 2.84Å; S253-Q256 VanDerWaalsContact CB-OE1 3.28Å; S253-Q256 WeakPolarHBondContact O-CA 3.24Å; S253-Q256 WeakPolarHBondContact O-CB 3.39Å; S253-Q256 PolarHBondContact O-N 3.02Å |
| 254 | P | 89.3 | Confident | 83.6 | Confident | 34 Ų | 34 | 39.8 Ų | 39.8 | 22% | 0.221 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -10.2 | 176.2 | 23.6 | -32.6 | 0 | 0 | 0 | 114.8 | D242 C257 L268 C269 | D242-P254 HydrophobicContact CB-CB 4.22Å; D242-P254 WeakPolarHBondContact OD2-CD 3.42Å; P254-C257 PolarHBondContact O-SG 2.79Å; P254-L268 HydrophobicContact CB-CD1 3.9Å; P254-L268 HydrophobicContact CG-CD1 3.79Å; P254-C269 WeakPolarHBondContact O-CB 3.32Å; P254-C269 PolarHBondContact O-N 2.79Å |
| 255 | N | 89 | Confident | 83.6 | Confident | 96 Ų | 96 | 39.8 Ų | 39.8 | 51% | 0.513 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 6.5 | 167.8 | 73.4 | -19.4 | 0 | 0 | 0 | 114 | S253 D267 L268 | S253-N255 VanDerWaalsContact CB-OD1 3.25Å; S253-N255 WeakPolarHBondContact CB-OD1 3.42Å; S253-N255 PolarHBondContact O-N 3.19Å; S253-N255 VanDerWaalsContact O-N 3.1Å; S253-N255 PolarHBondContact OG-OD1 2.84Å; N255-D267 WeakPolarHBondContact CA-O 3.42Å; N255-L268 HydrophobicContact CB-CD1 4.18Å |
| 256 | Q | 89.1 | Confident | 83.4 | Confident | 71 Ų | 71 | 47 Ų | 47 | 33% | 0.332 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -114.1 | 7.3 | 175.7 | -63.7 | 176.4 | -51.8 | 0 | 0 | 112.2 | C249 T250 G251 S253 | C249-Q256 CarbonylContact C-O 3.52Å; C249-Q256 VanDerWaalsContact CA-O 3.24Å; C249-Q256 WeakPolarHBondContact CA-O 3.27Å; C249-Q256 VanDerWaalsContact CB-O 3.29Å; C249-Q256 WeakPolarHBondContact CB-O 3.48Å; T250-Q256 PolarHBondContact N-O 3.13Å; T250-Q256 PolarHBondContact OG1-O 2.79Å; G251-Q256 VanDerWaalsContact C-OE1 3.29Å; G251-Q256 VanDerWaalsContact CA-OE1 3.29Å; S253-Q256 VanDerWaalsContact CB-OE1 3.28Å; S253-Q256 WeakPolarHBondContact O-CA 3.24Å; S253-Q256 WeakPolarHBondContact O-CB 3.39Å; S253-Q256 PolarHBondContact O-N 3.02Å |
| 257 | C | 86.2 | Confident | 83.7 | Confident | 17 Ų | 17 | 50.1 Ų | 50.1 | 12% | 0.115 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -63 | 138.2 | 169.8 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | C245 P254 S259 C269 | C245-C257 WeakPolarHBondContact CA-SG 3.36Å; C245-C257 HydrophobicContact CB-CB 3.67Å; C245-C257 WeakPolarHBondContact CB-SG 3.29Å; C245-C257 WeakPolarHBondContact SG-CA 3.33Å; C245-C257 WeakPolarHBondContact SG-CB 3.47Å; C245-C257 CovalentContact SG-SG 2.03Å; C245-C257 PolarHBondContact SG-SG 2.03Å; P254-C257 PolarHBondContact O-SG 2.79Å; C257-S259 PolarHBondContact O-N 2.86Å; C257-C269 VanDerWaalsContact CB-SG 3.51Å; C257-C269 VanDerWaalsContact SG-SG 3.67Å |
| 258 | L | 78.2 | Confident | 84.6 | Confident | 41 Ų | 41 | 49.7 Ų | 49.7 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -64.2 | -33.9 | 168.9 | -72.1 | -178.9 | 0 | 0 | 0 | 111.6 | V71 T96 V234 G248 T250 | V71-L258 HydrophobicContact CG1-CB 4.37Å; V71-L258 HydrophobicContact CG1-CD1 3.41Å; V71-L258 VanDerWaalsContact CG1-CD1 3.41Å; V71-L258 HydrophobicContact CG1-CD2 3.9Å; V71-L258 HydrophobicContact CG1-CG 4.09Å; T96-L258 HydrophobicContact CG2-CD1 4.17Å; V234-L258 HydrophobicContact CG2-CD1 3.29Å; V234-L258 HydrophobicContact CG2-CD2 4.19Å; V234-L258 HydrophobicContact CG2-CG 3.88Å; G248-L258 PolarHBondContact O-N 3.15Å; T250-L258 HydrophobicContact CG2-CD2 4.09Å |
| 259 | S | 76.4 | Confident | 85.1 | Confident | 7 Ų | 7 | 49.9 Ų | 49.9 | 5% | 0.049 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -159.3 | 149.3 | 176.7 | -157.5 | 0 | 0 | 0 | 0 | 110.1 | E72 R99 S246 C257 | E72-S259 WeakPolarHBondContact OE1-CB 3.47Å; E72-S259 PolarHBondContact OE1-OG 2.76Å; R99-S259 VanDerWaalsContact CZ-OG 3.23Å; R99-S259 PolarHBondContact NH1-OG 3.03Å; R99-S259 PolarHBondContact NH2-OG 3.2Å; S246-S259 WeakPolarHBondContact CB-O 3.25Å; S246-S259 PolarHBondContact N-O 3.12Å; C257-S259 PolarHBondContact O-N 2.86Å |
| 260 | C | 81.2 | Confident | 85.3 | Confident | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -81.3 | 145.4 | -174.5 | -52.4 | 0 | 0 | 0 | 0 | 112.3 | R99 E244 S246 V263 K264 C269 | R99-C260 PolarHBondContact NH2-O 3.04Å; E244-C260 CarbonylContact O-C 3.53Å; E244-C260 WeakPolarHBondContact O-CA 3.38Å; S246-C260 WeakPolarHBondContact CB-O 3.45Å; C260-V263 WeakPolarHBondContact CB-O 3.48Å; C260-K264 HydrophobicContact CB-CB 4.38Å; C260-K264 VanDerWaalsContact SG-CB 3.5Å; C260-C269 WeakPolarHBondContact CA-SG 3.32Å; C260-C269 HydrophobicContact CB-CB 3.6Å; C260-C269 WeakPolarHBondContact CB-SG 3.44Å; C260-C269 WeakPolarHBondContact SG-CA 3.38Å; C260-C269 WeakPolarHBondContact SG-CB 3.1Å; C260-C269 CovalentContact SG-SG 2.03Å; C260-C269 PolarHBondContact SG-SG 3.24Å |
| 261 | K | 79.4 | Confident | 85.5 | Confident | 87 Ų | 87 | 52.7 Ų | 52.7 | 38% | 0.378 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -73.5 | -39.4 | 178 | -172.3 | 176.5 | 178.7 | 172.2 | 0 | 111.9 | G229 S243 E244 | G229-K261 PolarHBondContact O-NZ 2.95Å; S243-K261 WeakPolarHBondContact O-CD 3.31Å; S243-K261 PolarHBondContact O-NZ 2.7Å; E244-K261 WeakPolarHBondContact O-CB 3.27Å; E244-K261 PolarHBondContact O-N 2.93Å |
| 262 | H | 83.7 | Confident | 85.7 | Confident | 80 Ų | 80 | 58.3 Ų | 58.3 | 37% | 0.37 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -115.5 | -79.5 | 175.8 | -46.6 | 106.8 | 0 | 0 | 0 | 110.9 | E244 N271 | E244-H262 IonicContact OE1-CE1 3.25Å; E244-H262 IonicContact OE1-ND1 3.16Å; E244-H262 IonicContact OE2-CE1 3.83Å; E244-H262 IonicContact OE2-CG 3.93Å; E244-H262 IonicContact OE2-ND1 3.39Å; E244-H262 PolarHBondContact OE2-ND1 2.82Å; H262-N271 WeakPolarHBondContact CB-O 3.47Å |
| 263 | V | 85.8 | Confident | 85.9 | Confident | 8 Ų | 8 | 54.6 Ų | 54.6 | 5% | 0.048 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 158.4 | -174.2 | -53.5 | 0 | 0 | 0 | 0 | 113.5 | C260 C269 L270 L279 L283 C285 | C260-V263 WeakPolarHBondContact CB-O 3.48Å; V263-C269 WeakPolarHBondContact O-CA 3.46Å; V263-L270 HydrophobicContact CG2-CB 4.01Å; V263-L270 VanDerWaalsContact CG2-O 3.25Å; V263-L270 WeakPolarHBondContact CG2-O 3.38Å; V263-L270 PolarHBondContact N-O 3.2Å; V263-L270 PolarHBondContact O-N 2.95Å; V263-L279 HydrophobicContact CB-CD1 4.41Å; V263-L279 HydrophobicContact CG1-CD1 3.54Å; V263-L283 CarbonylContact C-O 3.05Å; V263-L283 WeakPolarHBondContact CA-O 3.38Å; V263-C285 WeakPolarHBondContact CG2-SG 3.35Å |
| 264 | K | 86 | Confident | 86 | Confident | 36 Ų | 36 | 54.6 Ų | 54.6 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133.6 | -178.9 | -167.1 | 167.2 | -174.4 | 176.2 | 0 | 111.8 | Y23 C260 D267 L283 Y284 C285 | Y23-K264 PolarHBondContact OH-NZ 3.47Å; C260-K264 HydrophobicContact CB-CB 4.38Å; C260-K264 VanDerWaalsContact SG-CB 3.5Å; K264-D267 WeakPolarHBondContact CE-OD1 3.47Å; K264-D267 IonicContact NZ-OD1 3.6Å; K264-D267 PolarHBondContact NZ-OD1 2.81Å; K264-L283 PolarHBondContact N-O 3.44Å; K264-Y284 HydrophobicContact CB-CD1 4.21Å; K264-Y284 WeakPolarHBondContact O-CA 3.34Å; K264-C285 PolarHBondContact O-N 2.96Å |
| 265 | L | 89.4 | Confident | 85.9 | Confident | 27 Ų | 27 | 59.4 Ų | 59.4 | 14% | 0.141 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 116.1 | 173.3 | 177.7 | 58.6 | 0 | 0 | 0 | 109.2 | D267 L268 L270 P274 C285 | L265-D267 PolarHBondContact O-N 2.9Å; L265-L268 PolarHBondContact N-O 2.84Å; L265-L268 WeakPolarHBondContact O-CB 3.41Å; L265-L268 PolarHBondContact O-N 3.35Å; L265-L270 HydrophobicContact CB-CD1 4.14Å; L265-L270 HydrophobicContact CD2-CD1 4.21Å; L265-P274 HydrophobicContact CD2-CG 3.82Å; L265-C285 HydrophobicContact CB-CB 4.09Å; L265-C285 HydrophobicContact CD1-CB 4.13Å; L265-C285 HydrophobicContact CG-CB 4.49Å |
| 266 | N | 83 | Confident | 85.8 | Confident | 152 Ų | 152 | 58.5 Ų | 58.5 | 81% | 0.813 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.7 | 54.3 | 175.9 | -59.7 | -16.9 | 0 | 0 | 0 | 113.7 | L268 | N266-L268 PolarHBondContact O-N 2.8Š|
| 267 | D | 79.7 | Confident | 85.9 | Confident | 88 Ų | 88 | 56.9 Ų | 56.9 | 47% | 0.471 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | -2 | -174.9 | -69.1 | -54.8 | 0 | 0 | 0 | 117.9 | Y23 N255 K264 L265 | Y23-D267 PolarHBondContact OH-OD1 2.84Å; Y23-D267 VanDerWaalsContact OH-OD1 3.05Å; N255-D267 WeakPolarHBondContact CA-O 3.42Å; K264-D267 WeakPolarHBondContact CE-OD1 3.47Å; K264-D267 IonicContact NZ-OD1 3.6Å; K264-D267 PolarHBondContact NZ-OD1 2.81Å; L265-D267 PolarHBondContact O-N 2.9Å |
| 268 | L | 90.5 | Very high | 86.1 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 132.9 | 167 | -175.1 | 63.2 | 0 | 0 | 0 | 111.2 | P254 N255 L265 N266 L270 | P254-L268 HydrophobicContact CB-CD1 3.9Å; P254-L268 HydrophobicContact CG-CD1 3.79Å; N255-L268 HydrophobicContact CB-CD1 4.18Å; L265-L268 PolarHBondContact N-O 2.84Å; L265-L268 WeakPolarHBondContact O-CB 3.41Å; L265-L268 PolarHBondContact O-N 3.35Å; N266-L268 PolarHBondContact O-N 2.8Å; L268-L270 HydrophobicContact CD2-CD2 3.79Å; L268-L270 HydrophobicContact CD2-CG 4.28Å; L268-L270 HydrophobicContact CG-CD2 4.02Å; L268-L270 HydrophobicContact CG-CG 4.21Å |
| 269 | C | 89.8 | Confident | 86.6 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 3% | 0.027 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 137.8 | 166.9 | -62 | 0 | 0 | 0 | 0 | 111.3 | E244 P254 C257 C260 V263 | E244-C269 HydrophobicContact CB-CB 3.85Å; P254-C269 WeakPolarHBondContact O-CB 3.32Å; P254-C269 PolarHBondContact O-N 2.79Å; C257-C269 VanDerWaalsContact CB-SG 3.51Å; C257-C269 VanDerWaalsContact SG-SG 3.67Å; C260-C269 WeakPolarHBondContact CA-SG 3.32Å; C260-C269 HydrophobicContact CB-CB 3.6Å; C260-C269 WeakPolarHBondContact CB-SG 3.44Å; C260-C269 WeakPolarHBondContact SG-CA 3.38Å; C260-C269 WeakPolarHBondContact SG-CB 3.1Å; C260-C269 CovalentContact SG-SG 2.03Å; C260-C269 PolarHBondContact SG-SG 3.24Å; V263-C269 WeakPolarHBondContact O-CA 3.46Å |
| 270 | L | 91.1 | Very high | 86.9 | Confident | 46 Ų | 46 | 57.8 Ų | 57.8 | 24% | 0.241 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 157.2 | -177.5 | -62.8 | 171.9 | 0 | 0 | 0 | 109.7 | E244 V263 L265 L268 P274 | E244-L270 VanDerWaalsContact OE2-C 3.27Å; V263-L270 HydrophobicContact CG2-CB 4.01Å; V263-L270 VanDerWaalsContact CG2-O 3.25Å; V263-L270 WeakPolarHBondContact CG2-O 3.38Å; V263-L270 PolarHBondContact N-O 3.2Å; V263-L270 PolarHBondContact O-N 2.95Å; L265-L270 HydrophobicContact CB-CD1 4.14Å; L265-L270 HydrophobicContact CD2-CD1 4.21Å; L268-L270 HydrophobicContact CD2-CD2 3.79Å; L268-L270 HydrophobicContact CD2-CG 4.28Å; L268-L270 HydrophobicContact CG-CD2 4.02Å; L268-L270 HydrophobicContact CG-CG 4.21Å; L270-P274 HydrophobicContact CD1-CG 4.44Å |
| 271 | N | 88.6 | Confident | 86.4 | Confident | 96 Ų | 96 | 60.3 Ų | 60.3 | 51% | 0.513 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -78.7 | -29.1 | 176.6 | 89.3 | 50 | 0 | 0 | 0 | 113.3 | E244 H262 | E244-N271 WeakPolarHBondContact OE1-CB 3.27Å; E244-N271 VanDerWaalsContact OE2-CA 3.24Å; E244-N271 WeakPolarHBondContact OE2-CA 3.48Å; E244-N271 WeakPolarHBondContact OE2-CB 3.45Å; E244-N271 PolarHBondContact OE2-N 3.34Å; H262-N271 WeakPolarHBondContact CB-O 3.47Å |
| 272 | H | 89.4 | Confident | 86.1 | Confident | 124 Ų | 124 | 61.8 Ų | 61.8 | 57% | 0.574 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -141.6 | 158.7 | 174.4 | 60.4 | -87.1 | 0 | 0 | 0 | 110.9 | ||
| 273 | C | 90.4 | Very high | 85.7 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 15% | 0.149 | 32% | 0.322 | C | S | . | . | trans | -72.9 | 140.6 | 171.8 | -64.2 | 0 | 0 | 0 | 0 | 110.3 | H277 C285 | C273-H277 HydrophobicContact CB-CB 4.18Å; C273-C285 WeakPolarHBondContact CA-SG 3.17Å; C273-C285 HydrophobicContact CB-CB 3.77Å; C273-C285 WeakPolarHBondContact CB-SG 3.4Å; C273-C285 WeakPolarHBondContact SG-CA 3.48Å; C273-C285 WeakPolarHBondContact SG-CB 3.46Å; C273-C285 CovalentContact SG-SG 2.04Å; C273-C285 PolarHBondContact SG-SG 3.47Å | ||
| 274 | P | 90.6 | Very high | 85.5 | Confident | 43 Ų | 43 | 60.5 Ų | 60.5 | 28% | 0.279 | 33% | 0.33 | S | S | . | . | trans | -53.5 | 150.2 | 170.7 | -24.6 | 34.2 | 0 | 0 | 0 | 111.2 | L265 L270 S276 H277 | L265-P274 HydrophobicContact CD2-CG 3.82Å; L270-P274 HydrophobicContact CD1-CG 4.44Å; P274-S276 PolarHBondContact O-N 2.94Å; P274-H277 PolarHBondContact O-N 2.87Å | ||
| 275 | S | 85.7 | Confident | 85.7 | Confident | 134 Ų | 134 | 59.2 Ų | 59.2 | 94% | 0.937 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -10.9 | -175.6 | 50.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 276 | S | 87.6 | Confident | 85.7 | Confident | 77 Ų | 77 | 59 Ų | 59 | 54% | 0.538 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -4.1 | 171.1 | 53 | 0 | 0 | 0 | 0 | 114.6 | P274 | P274-S276 PolarHBondContact O-N 2.94Š|
| 277 | H | 92.2 | Very high | 86.1 | Confident | 37 Ų | 37 | 53.8 Ų | 53.8 | 17% | 0.171 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 151.6 | -173.4 | -68 | 64.5 | 0 | 0 | 0 | 111.8 | C273 P274 C285 I286 | C273-H277 HydrophobicContact CB-CB 4.18Å; P274-H277 PolarHBondContact O-N 2.87Å; H277-C285 HydrophobicContact CB-CB 4.11Å; H277-I286 CarbonylContact C-O 3.53Å; H277-I286 VanDerWaalsContact CA-O 3.23Å; H277-I286 WeakPolarHBondContact CA-O 3.36Å; H277-I286 WeakPolarHBondContact CB-O 3.48Å |
| 278 | Y | 90.2 | Very high | 86.6 | Confident | 39 Ų | 39 | 53.7 Ų | 53.7 | 15% | 0.153 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 141.3 | 177.8 | -66.6 | -99.7 | 0 | 0 | 0 | 110.4 | L280 I286 R288 T311 S314 | Y278-L280 PolarHBondContact O-N 3.27Å; Y278-I286 PolarHBondContact N-O 3.13Å; Y278-I286 WeakPolarHBondContact O-CG1 3.47Å; Y278-I286 PolarHBondContact O-N 3.22Å; Y278-R288 HydrophobicContact CD2-CB 4.17Å; Y278-R288 HydrophobicContact CD2-CG 4.43Å; Y278-R288 HydrophobicContact CE2-CB 3.65Å; Y278-R288 HydrophobicContact CE2-CG 3.65Å; Y278-T311 HydrophobicContact CD1-CG2 3.67Å; Y278-T311 HydrophobicContact CD2-CG2 4.31Å; Y278-T311 VanDerWaalsContact CE1-CB 3.5Å; Y278-T311 HydrophobicContact CE1-CG2 3.53Å; Y278-T311 HydrophobicContact CE2-CG2 4.19Å; Y278-T311 HydrophobicContact CG-CG2 4.07Å; Y278-S314 CarbonylContact C-O 3.11Å; Y278-S314 WeakPolarHBondContact CA-O 3.33Å |
| 279 | L | 87.8 | Confident | 86.5 | Confident | 37 Ų | 37 | 56.9 Ų | 56.9 | 19% | 0.194 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 114.7 | 179.2 | 179.3 | 56.4 | 0 | 0 | 0 | 111.4 | V263 S314 T315 C316 | V263-L279 HydrophobicContact CB-CD1 4.41Å; V263-L279 HydrophobicContact CG1-CD1 3.54Å; L279-S314 PolarHBondContact N-O 2.81Å; L279-T315 HydrophobicContact CB-CG2 4.34Å; L279-T315 CarbonylContact O-C 3.5Å; L279-T315 WeakPolarHBondContact O-CA 3.3Å; L279-C316 PolarHBondContact O-N 3.15Å |
| 280 | L | 83.7 | Confident | 86.5 | Confident | 8 Ų | 8 | 61.9 Ų | 61.9 | 4% | 0.042 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 134.7 | 172 | -179 | 70.1 | 0 | 0 | 0 | 110.5 | Y278 N282 L283 Y284 I286 F309 C316 | Y278-L280 PolarHBondContact O-N 3.27Å; L280-N282 PolarHBondContact O-N 3.45Å; L280-L283 PolarHBondContact O-N 3.28Å; L280-Y284 PolarHBondContact N-O 2.89Å; L280-Y284 PolarHBondContact O-N 3.47Å; L280-I286 HydrophobicContact CB-CD1 3.98Å; L280-I286 HydrophobicContact CB-CG1 4.14Å; L280-I286 HydrophobicContact CB-CG2 4.46Å; L280-I286 HydrophobicContact CD2-CD1 4.18Å; L280-I286 HydrophobicContact CD2-CG2 4.43Å; L280-I286 HydrophobicContact CG-CD1 4.44Å; L280-F309 HydrophobicContact CD1-CD1 4.15Å; L280-F309 HydrophobicContact CD1-CE1 3.77Å; L280-C316 HydrophobicContact CB-CB 4.5Å; L280-C316 HydrophobicContact CD1-CB 4.26Å |
| 281 | N | 69.9 | Low | 86.4 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 29% | 0.289 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 26.4 | 174.4 | -67.3 | 0.3 | 0 | 0 | 0 | 115 | I103 L283 | I103-N281 PolarHBondContact O-ND2 2.76Å; I103-N281 VanDerWaalsContact O-ND2 3.12Å; N281-L283 PolarHBondContact O-N 3.34Å |
| 282 | N | 72.2 | Confident | 86.4 | Confident | 118 Ų | 118 | 56.8 Ų | 56.8 | 63% | 0.631 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 31.2 | -173.2 | -64.4 | 1.8 | 0 | 0 | 0 | 114.2 | L280 | L280-N282 PolarHBondContact O-N 3.45Š|
| 283 | L | 75.3 | Confident | 86.2 | Confident | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -147 | -29.5 | -176.1 | -159.6 | 73.9 | 0 | 0 | 0 | 114.9 | V263 K264 L280 N281 | V263-L283 CarbonylContact C-O 3.05Å; V263-L283 WeakPolarHBondContact CA-O 3.38Å; K264-L283 PolarHBondContact N-O 3.44Å; L280-L283 PolarHBondContact O-N 3.28Å; N281-L283 PolarHBondContact O-N 3.34Å |
| 284 | Y | 83.4 | Confident | 85.8 | Confident | 53 Ų | 53 | 59.8 Ų | 59.8 | 21% | 0.208 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 142.1 | -175 | -56.2 | -76 | 0 | 0 | 0 | 111.5 | Q47 K264 L280 | Q47-Y284 PolarHBondContact NE2-OH 2.98Å; Q47-Y284 PolarHBondContact OE1-OH 3.04Å; Q47-Y284 VanDerWaalsContact OE1-OH 3.07Å; K264-Y284 HydrophobicContact CB-CD1 4.21Å; K264-Y284 WeakPolarHBondContact O-CA 3.34Å; L280-Y284 PolarHBondContact N-O 2.89Å; L280-Y284 PolarHBondContact O-N 3.47Å |
| 285 | C | 90.3 | Very high | 85.1 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 7% | 0.068 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 125.7 | 170 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | V263 K264 L265 C273 H277 | V263-C285 WeakPolarHBondContact CG2-SG 3.35Å; K264-C285 PolarHBondContact O-N 2.96Å; L265-C285 HydrophobicContact CB-CB 4.09Å; L265-C285 HydrophobicContact CD1-CB 4.13Å; L265-C285 HydrophobicContact CG-CB 4.49Å; C273-C285 WeakPolarHBondContact CA-SG 3.17Å; C273-C285 HydrophobicContact CB-CB 3.77Å; C273-C285 WeakPolarHBondContact CB-SG 3.4Å; C273-C285 WeakPolarHBondContact SG-CA 3.48Å; C273-C285 WeakPolarHBondContact SG-CB 3.46Å; C273-C285 CovalentContact SG-SG 2.04Å; C273-C285 PolarHBondContact SG-SG 3.47Å; H277-C285 HydrophobicContact CB-CB 4.11Å |
| 286 | I | 89.5 | Confident | 84.2 | Confident | 21 Ų | 21 | 59 Ų | 59 | 11% | 0.108 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 159 | 178.3 | 61.6 | 168 | 0 | 0 | 0 | 110.7 | H277 Y278 L280 E290 C291 C316 | H277-I286 CarbonylContact C-O 3.53Å; H277-I286 VanDerWaalsContact CA-O 3.23Å; H277-I286 WeakPolarHBondContact CA-O 3.36Å; H277-I286 WeakPolarHBondContact CB-O 3.48Å; Y278-I286 PolarHBondContact N-O 3.13Å; Y278-I286 WeakPolarHBondContact O-CG1 3.47Å; Y278-I286 PolarHBondContact O-N 3.22Å; L280-I286 HydrophobicContact CB-CD1 3.98Å; L280-I286 HydrophobicContact CB-CG1 4.14Å; L280-I286 HydrophobicContact CB-CG2 4.46Å; L280-I286 HydrophobicContact CD2-CD1 4.18Å; L280-I286 HydrophobicContact CD2-CG2 4.43Å; L280-I286 HydrophobicContact CG-CD1 4.44Å; I286-E290 HydrophobicContact CB-CB 4.14Å; I286-E290 HydrophobicContact CD1-CB 4.42Å; I286-C291 HydrophobicContact CD1-CB 3.83Å; I286-C291 HydrophobicContact CG1-CB 4.46Å; I286-C316 HydrophobicContact CD1-CB 4.06Å |
| 287 | T | 91.3 | Very high | 82.7 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 26% | 0.264 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 166.1 | 176.9 | 60.9 | 0 | 0 | 0 | 0 | 112.8 | E289 E290 C291 | T287-E289 VanDerWaalsContact C-N 3.34Å; T287-E289 PolarHBondContact O-N 2.86Å; T287-E290 WeakPolarHBondContact CB-OE2 3.37Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.49Å; T287-E290 PolarHBondContact N-OE2 3.34Å; T287-E290 PolarHBondContact O-N 2.8Å; T287-E290 WeakPolarHBondContact OG1-CB 3.07Å; T287-E290 VanDerWaalsContact OG1-CD 3.29Å; T287-E290 WeakPolarHBondContact OG1-CG 3.11Å; T287-E290 PolarHBondContact OG1-N 3.43Å; T287-E290 PolarHBondContact OG1-OE2 3.43Å; T287-C291 PolarHBondContact O-N 3.31Å |
| 288 | R | 89 | Confident | 80.8 | Confident | 87 Ų | 87 | 57.9 Ų | 57.9 | 33% | 0.328 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.6 | -43.3 | 176 | -162.9 | 176.4 | -178.1 | -79.2 | -6.3 | 111.8 | Y278 C291 I292 T311 S329 E331 | Y278-R288 HydrophobicContact CD2-CB 4.17Å; Y278-R288 HydrophobicContact CD2-CG 4.43Å; Y278-R288 HydrophobicContact CE2-CB 3.65Å; Y278-R288 HydrophobicContact CE2-CG 3.65Å; R288-C291 PolarHBondContact O-N 3.23Å; R288-I292 HydrophobicContact CG-CD1 3.84Å; R288-I292 VanDerWaalsContact CZ-CD1 3.43Å; R288-I292 WeakPolarHBondContact O-CG1 3.4Å; R288-I292 PolarHBondContact O-N 3.41Å; R288-T311 HydrophobicContact CG-CG2 4.34Å; R288-S329 PolarHBondContact NH2-O 2.81Å; R288-E331 IonicContact NH2-OE2 3.31Å; R288-E331 PolarHBondContact NH2-OE2 3.22Å |
| 289 | E | 88.4 | Confident | 78.4 | Confident | 134 Ų | 134 | 56.9 Ų | 56.9 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -70.6 | -38.4 | 178.5 | -71.5 | 112.7 | 147.3 | 0 | 0 | 113.1 | T287 C291 I292 N293 | T287-E289 VanDerWaalsContact C-N 3.34Å; T287-E289 PolarHBondContact O-N 2.86Å; E289-C291 VanDerWaalsContact C-N 3.26Å; E289-C291 PolarHBondContact O-N 2.81Å; E289-I292 PolarHBondContact O-N 3.34Å; E289-N293 VanDerWaalsContact O-CB 3.26Å; E289-N293 WeakPolarHBondContact O-CB 3.42Å; E289-N293 PolarHBondContact O-N 3.29Å; E289-N293 PolarHBondContact O-ND2 2.96Å |
| 290 | E | 89.1 | Confident | 76.1 | Confident | 109 Ų | 109 | 57 Ų | 57 | 51% | 0.509 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -36.1 | 172 | -75.5 | 168.2 | 129.8 | 0 | 0 | 112.1 | I286 T287 R294 | I286-E290 HydrophobicContact CB-CB 4.14Å; I286-E290 HydrophobicContact CD1-CB 4.42Å; T287-E290 WeakPolarHBondContact CB-OE2 3.37Å; T287-E290 WeakPolarHBondContact CG2-OE2 3.49Å; T287-E290 PolarHBondContact N-OE2 3.34Å; T287-E290 PolarHBondContact O-N 2.8Å; T287-E290 WeakPolarHBondContact OG1-CB 3.07Å; T287-E290 VanDerWaalsContact OG1-CD 3.29Å; T287-E290 WeakPolarHBondContact OG1-CG 3.11Å; T287-E290 PolarHBondContact OG1-N 3.43Å; T287-E290 PolarHBondContact OG1-OE2 3.43Å; E290-R294 WeakPolarHBondContact O-CB 3.3Å; E290-R294 PolarHBondContact O-N 3.11Å |
| 291 | C | 89.9 | Confident | 73.7 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.2 | -54.5 | 175.4 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | I286 T287 R288 E289 N293 R294 F309 T311 C316 | I286-C291 HydrophobicContact CD1-CB 3.83Å; I286-C291 HydrophobicContact CG1-CB 4.46Å; T287-C291 PolarHBondContact O-N 3.31Å; R288-C291 PolarHBondContact O-N 3.23Å; E289-C291 VanDerWaalsContact C-N 3.26Å; E289-C291 PolarHBondContact O-N 2.81Å; C291-N293 VanDerWaalsContact C-N 3.34Å; C291-N293 PolarHBondContact O-N 3.18Å; C291-R294 VanDerWaalsContact O-CB 3.26Å; C291-R294 WeakPolarHBondContact O-CB 3.42Å; C291-R294 PolarHBondContact O-N 2.84Å; C291-R294 VanDerWaalsContact O-N 3.08Å; C291-F309 VanDerWaalsContact O-CB 3.29Å; C291-F309 WeakPolarHBondContact O-CB 3.31Å; C291-T311 HydrophobicContact CB-CG2 4.31Å; C291-C316 WeakPolarHBondContact CA-SG 3.29Å; C291-C316 HydrophobicContact CB-CB 3.86Å; C291-C316 WeakPolarHBondContact CB-SG 2.96Å; C291-C316 VanDerWaalsContact SG-CA 3.56Å; C291-C316 WeakPolarHBondContact SG-CB 3.26Å; C291-C316 CovalentContact SG-SG 2.03Å; C291-C316 PolarHBondContact SG-SG 2.9Å |
| 292 | I | 88.3 | Confident | 72 | Confident | 34 Ų | 34 | 63 Ų | 63 | 17% | 0.174 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -72.1 | -30.3 | -170.3 | -67.1 | 169.6 | 0 | 0 | 0 | 112.1 | R288 E289 R294 T311 S329 | R288-I292 HydrophobicContact CG-CD1 3.84Å; R288-I292 VanDerWaalsContact CZ-CD1 3.43Å; R288-I292 WeakPolarHBondContact O-CG1 3.4Å; R288-I292 PolarHBondContact O-N 3.41Å; E289-I292 PolarHBondContact O-N 3.34Å; I292-R294 VanDerWaalsContact C-N 3.29Å; I292-T311 HydrophobicContact CD1-CG2 4.32Å; I292-T311 HydrophobicContact CG1-CG2 4.16Å; I292-S329 WeakPolarHBondContact CD1-O 3.3Å |
| 293 | N | 84.6 | Confident | 70.4 | Confident | 124 Ų | 124 | 59.3 Ų | 59.3 | 66% | 0.663 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -3.2 | 173.8 | -62.7 | -47.8 | 0 | 0 | 0 | 113 | E289 C291 Q295 | E289-N293 VanDerWaalsContact O-CB 3.26Å; E289-N293 WeakPolarHBondContact O-CB 3.42Å; E289-N293 PolarHBondContact O-N 3.29Å; E289-N293 PolarHBondContact O-ND2 2.96Å; C291-N293 VanDerWaalsContact C-N 3.34Å; C291-N293 PolarHBondContact O-N 3.18Å; N293-Q295 PolarHBondContact O-N 3.15Å |
| 294 | R | 83.9 | Confident | 68.7 | Low | 86 Ų | 86 | 66.6 Ų | 66.6 | 33% | 0.325 | 34% | 0.339 | S | S | . | . | trans | -73.1 | 117.1 | 178.3 | -141.2 | 173.4 | -169.6 | -81.5 | -3.8 | 110.4 | E290 C291 I292 E296 F309 | E290-R294 WeakPolarHBondContact O-CB 3.3Å; E290-R294 PolarHBondContact O-N 3.11Å; C291-R294 VanDerWaalsContact O-CB 3.26Å; C291-R294 WeakPolarHBondContact O-CB 3.42Å; C291-R294 PolarHBondContact O-N 2.84Å; C291-R294 VanDerWaalsContact O-N 3.08Å; I292-R294 VanDerWaalsContact C-N 3.29Å; R294-E296 IonicContact CZ-OE1 3.83Å; R294-E296 IonicContact NH1-OE1 2.75Å; R294-E296 PolarHBondContact NH1-OE1 2.7Å; R294-F309 HydrophobicContact CB-CB 4.03Å; R294-F309 HydrophobicContact CB-CD2 4.04Å; R294-F309 HydrophobicContact CB-CG 4.03Å; R294-F309 HydrophobicContact CG-CD2 4.47Å; R294-F309 WeakPolarHBondContact O-CD2 3.31Å; R294-F309 PolarHBondContact O-N 3.37Å; R294-F309 VanDerWaalsContact O-N 3.08Å | ||
| 295 | Q | 75 | Confident | 67.1 | Low | 117 Ų | 117 | 69.2 Ų | 69.2 | 55% | 0.547 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 123.9 | 172 | -65.6 | -171.6 | -40.1 | 0 | 0 | 109.1 | N293 L306 A307 N308 | N293-Q295 PolarHBondContact O-N 3.15Å; Q295-L306 HydrophobicContact CB-CD1 4.18Å; Q295-L306 HydrophobicContact CB-CD2 4.11Å; Q295-L306 HydrophobicContact CB-CG 4.03Å; Q295-L306 HydrophobicContact CG-CD2 4.24Å; Q295-A307 WeakPolarHBondContact CA-O 3.38Å; Q295-N308 PolarHBondContact NE2-OD1 2.71Å |
| 296 | E | 66.8 | Low | 65.6 | Low | 44 Ų | 44 | 73 Ų | 73 | 21% | 0.206 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 149.3 | 177.2 | -153.6 | 177.4 | -86.4 | 0 | 0 | 110.4 | S105 R294 V298 A307 F309 | S105-E296 VanDerWaalsContact CB-OE2 3.26Å; S105-E296 WeakPolarHBondContact CB-OE2 3.48Å; S105-E296 PolarHBondContact N-OE2 3.1Å; S105-E296 PolarHBondContact OG-OE2 3.3Å; R294-E296 IonicContact CZ-OE1 3.83Å; R294-E296 IonicContact NH1-OE1 2.75Å; R294-E296 PolarHBondContact NH1-OE1 2.7Å; E296-V298 PolarHBondContact O-N 3.38Å; E296-A307 PolarHBondContact N-O 3.22Å; E296-A307 PolarHBondContact O-N 2.98Å; E296-F309 HydrophobicContact CB-CE2 3.71Å; E296-F309 HydrophobicContact CB-CZ 4.38Å |
| 297 | I | 55.6 | Low | 64.2 | Low | 82 Ų | 82 | 72.2 Ų | 72.2 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 96.9 | -174.1 | -59.7 | 176.8 | 0 | 0 | 0 | 109.6 | T106 G299 K304 Y305 L306 | T106-I297 WeakPolarHBondContact CG2-O 3.17Å; I297-G299 PolarHBondContact O-N 3.23Å; I297-K304 HydrophobicContact CG2-CB 3.59Å; I297-K304 HydrophobicContact CG2-CD 3.78Å; I297-K304 HydrophobicContact CG2-CG 3.68Å; I297-Y305 CarbonylContact C-O 3.57Å; I297-Y305 WeakPolarHBondContact CA-O 3.37Å; I297-L306 HydrophobicContact CG1-CD1 3.85Å |
| 298 | V | 53.8 | Low | 63.6 | Low | 8 Ų | 8 | 73.6 Ų | 73.6 | 5% | 0.048 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 110.6 | -178.6 | -170.1 | 0 | 0 | 0 | 0 | 109.2 | N109 E296 S300 Y305 A307 | N109-V298 WeakPolarHBondContact ND2-CG1 3.2Å; E296-V298 PolarHBondContact O-N 3.38Å; V298-S300 PolarHBondContact O-N 3.05Å; V298-Y305 HydrophobicContact CB-CD1 4.17Å; V298-Y305 HydrophobicContact CB-CD2 4.37Å; V298-Y305 HydrophobicContact CB-CE1 3.71Å; V298-Y305 HydrophobicContact CB-CE2 3.95Å; V298-Y305 HydrophobicContact CB-CG 4.48Å; V298-Y305 HydrophobicContact CG1-CE1 3.64Å; V298-Y305 HydrophobicContact CG1-CE2 4.32Å; V298-Y305 WeakPolarHBondContact CG1-OH 3.35Å; V298-Y305 HydrophobicContact CG2-CE2 4.35Å; V298-Y305 PolarHBondContact N-O 3.28Å; V298-Y305 WeakPolarHBondContact O-CD1 3.36Å; V298-Y305 PolarHBondContact O-N 2.9Å; V298-A307 HydrophobicContact CB-CB 4.45Å; V298-A307 HydrophobicContact CG2-CB 3.31Å |
| 299 | G | 39.4 | Very low | 63.5 | Low | 18 Ų | 18 | 69.7 Ų | 69.7 | 19% | 0.186 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 54.4 | -162.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | N109 I297 | N109-G299 WeakPolarHBondContact CB-O 3.45Å; I297-G299 PolarHBondContact O-N 3.23Å |
| 300 | S | 38 | Very low | 63.5 | Low | 40 Ų | 40 | 63.3 Ų | 63.3 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.4 | 152.6 | -177.1 | -176.6 | 0 | 0 | 0 | 0 | 114.4 | N109 V298 N302 G303 | N109-S300 WeakPolarHBondContact OD1-CA 3.3Å; V298-S300 PolarHBondContact O-N 3.05Å; S300-N302 PolarHBondContact O-N 3.41Å; S300-G303 WeakPolarHBondContact CA-O 3.3Å; S300-G303 VanDerWaalsContact CB-O 3.28Å; S300-G303 WeakPolarHBondContact CB-O 3.31Å; S300-G303 PolarHBondContact N-O 3.23Å; S300-G303 VanDerWaalsContact N-O 3.13Å; S300-G303 CarbonylContact O-C 3.18Å; S300-G303 PolarHBondContact O-N 2.97Å |
| 301 | V | 33.8 | Very low | 63.5 | Low | 79 Ų | 79 | 58.1 Ų | 58.1 | 48% | 0.479 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -32 | 174.3 | -178.5 | 0 | 0 | 0 | 0 | 112.8 | K111 | K111-V301 HydrophobicContact CD-CG2 3.73Å; K111-V301 HydrophobicContact CG-CG2 3.85Å |
| 302 | N | 34.8 | Very low | 63.4 | Low | 109 Ų | 109 | 59.8 Ų | 59.8 | 58% | 0.583 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 9.7 | 179.6 | -66.7 | -66.3 | 0 | 0 | 0 | 113.8 | S300 D347 | S300-N302 PolarHBondContact O-N 3.41Å; N302-D347 PolarHBondContact ND2-OD2 3.39Å |
| 303 | G | 37.4 | Very low | 63.3 | Low | 39 Ų | 39 | 64.2 Ų | 64.2 | 40% | 0.402 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.1 | 158.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | S300 Y305 | S300-G303 WeakPolarHBondContact CA-O 3.3Å; S300-G303 VanDerWaalsContact CB-O 3.28Å; S300-G303 WeakPolarHBondContact CB-O 3.31Å; S300-G303 PolarHBondContact N-O 3.23Å; S300-G303 VanDerWaalsContact N-O 3.13Å; S300-G303 CarbonylContact O-C 3.18Å; S300-G303 PolarHBondContact O-N 2.97Å; G303-Y305 PolarHBondContact O-N 2.64Å |
| 304 | K | 40.2 | Very low | 63.3 | Low | 161 Ų | 161 | 62.1 Ų | 62.1 | 70% | 0.7 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 120.1 | 170.8 | -79.7 | 176.6 | 166.6 | -170.8 | 0 | 110 | I297 | I297-K304 HydrophobicContact CG2-CB 3.59Å; I297-K304 HydrophobicContact CG2-CD 3.78Å; I297-K304 HydrophobicContact CG2-CG 3.68Å |
| 305 | Y | 50.9 | Low | 63.6 | Low | 108 Ų | 108 | 59.7 Ų | 59.7 | 42% | 0.424 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 157.4 | 170.2 | 71.6 | -83.9 | 0 | 0 | 0 | 110.8 | I297 V298 G303 A307 | I297-Y305 CarbonylContact C-O 3.57Å; I297-Y305 WeakPolarHBondContact CA-O 3.37Å; V298-Y305 HydrophobicContact CB-CD1 4.17Å; V298-Y305 HydrophobicContact CB-CD2 4.37Å; V298-Y305 HydrophobicContact CB-CE1 3.71Å; V298-Y305 HydrophobicContact CB-CE2 3.95Å; V298-Y305 HydrophobicContact CB-CG 4.48Å; V298-Y305 HydrophobicContact CG1-CE1 3.64Å; V298-Y305 HydrophobicContact CG1-CE2 4.32Å; V298-Y305 WeakPolarHBondContact CG1-OH 3.35Å; V298-Y305 HydrophobicContact CG2-CE2 4.35Å; V298-Y305 PolarHBondContact N-O 3.28Å; V298-Y305 WeakPolarHBondContact O-CD1 3.36Å; V298-Y305 PolarHBondContact O-N 2.9Å; G303-Y305 PolarHBondContact O-N 2.64Å; Y305-A307 HydrophobicContact CE2-CB 4.25Å |
| 306 | L | 58.2 | Low | 64.3 | Low | 90 Ų | 90 | 54.3 Ų | 54.3 | 47% | 0.471 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 118.1 | 177.2 | -155.6 | 71.5 | 0 | 0 | 0 | 108.4 | Q295 I297 | Q295-L306 HydrophobicContact CB-CD1 4.18Å; Q295-L306 HydrophobicContact CB-CD2 4.11Å; Q295-L306 HydrophobicContact CB-CG 4.03Å; Q295-L306 HydrophobicContact CG-CD2 4.24Å; I297-L306 HydrophobicContact CG1-CD1 3.85Å |
| 307 | A | 60.5 | Low | 65 | Low | 5 Ų | 5 | 54 Ų | 54 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 126.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q295 E296 V298 Y305 P318 | Q295-A307 WeakPolarHBondContact CA-O 3.38Å; E296-A307 PolarHBondContact N-O 3.22Å; E296-A307 PolarHBondContact O-N 2.98Å; V298-A307 HydrophobicContact CB-CB 4.45Å; V298-A307 HydrophobicContact CG2-CB 3.31Å; Y305-A307 HydrophobicContact CE2-CB 4.25Å; A307-P318 HydrophobicContact CB-CB 4.35Å |
| 308 | N | 78.2 | Confident | 66 | Low | 72 Ų | 72 | 52.1 Ų | 52.1 | 39% | 0.385 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 114.1 | 167.7 | -62 | -35.6 | 0 | 0 | 0 | 107.6 | Q295 S310 R326 | Q295-N308 PolarHBondContact NE2-OD1 2.71Å; N308-S310 PolarHBondContact O-OG 3.04Å; N308-R326 PolarHBondContact O-NE 2.67Å |
| 309 | F | 86.4 | Confident | 67 | Low | 4 Ų | 4 | 55.7 Ų | 55.7 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | trans | -61.5 | 157 | 179.4 | -81.9 | -117.5 | 0 | 0 | 0 | 111.3 | L280 C291 R294 E296 I317 P318 R326 | L280-F309 HydrophobicContact CD1-CD1 4.15Å; L280-F309 HydrophobicContact CD1-CE1 3.77Å; C291-F309 VanDerWaalsContact O-CB 3.29Å; C291-F309 WeakPolarHBondContact O-CB 3.31Å; R294-F309 HydrophobicContact CB-CB 4.03Å; R294-F309 HydrophobicContact CB-CD2 4.04Å; R294-F309 HydrophobicContact CB-CG 4.03Å; R294-F309 HydrophobicContact CG-CD2 4.47Å; R294-F309 WeakPolarHBondContact O-CD2 3.31Å; R294-F309 PolarHBondContact O-N 3.37Å; R294-F309 VanDerWaalsContact O-N 3.08Å; E296-F309 HydrophobicContact CB-CE2 3.71Å; E296-F309 HydrophobicContact CB-CZ 4.38Å; F309-I317 WeakPolarHBondContact CA-O 3.37Å; F309-P318 HydrophobicContact CD1-CB 4.46Å; F309-P318 HydrophobicContact CD2-CB 4.43Å; F309-P318 HydrophobicContact CE1-CB 4.15Å; F309-P318 HydrophobicContact CE2-CB 4.09Å; F309-P318 HydrophobicContact CZ-CB 3.96Å; F309-R326 PolarHBondContact O-NE 2.67Å; F309-R326 PolarHBondContact O-NH2 2.87Å | ||
| 310 | S | 87.9 | Confident | 68.9 | Low | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.007 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144.7 | -169.3 | -47 | 0 | 0 | 0 | 0 | 110.8 | N308 I317 R326 G330 | N308-S310 PolarHBondContact O-OG 3.04Å; S310-I317 PolarHBondContact N-O 3.46Å; S310-I317 PolarHBondContact O-N 3.11Å; S310-R326 WeakPolarHBondContact OG-CD 3.47Å; S310-R326 WeakPolarHBondContact OG-CG 3.45Å; S310-R326 PolarHBondContact OG-NE 3.3Å; S310-G330 CarbonylContact C-O 3.46Å; S310-G330 WeakPolarHBondContact CA-O 3.3Å |
| 311 | T | 90.4 | Very high | 70.5 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 130.7 | 176.5 | 53.9 | 0 | 0 | 0 | 0 | 111.1 | Y278 R288 C291 I292 G330 E331 C332 | Y278-T311 HydrophobicContact CD1-CG2 3.67Å; Y278-T311 HydrophobicContact CD2-CG2 4.31Å; Y278-T311 VanDerWaalsContact CE1-CB 3.5Å; Y278-T311 HydrophobicContact CE1-CG2 3.53Å; Y278-T311 HydrophobicContact CE2-CG2 4.19Å; Y278-T311 HydrophobicContact CG-CG2 4.07Å; R288-T311 HydrophobicContact CG-CG2 4.34Å; C291-T311 HydrophobicContact CB-CG2 4.31Å; I292-T311 HydrophobicContact CD1-CG2 4.32Å; I292-T311 HydrophobicContact CG1-CG2 4.16Å; T311-G330 PolarHBondContact N-O 2.87Å; T311-G330 PolarHBondContact OG1-O 3.37Å; T311-E331 WeakPolarHBondContact OG1-CA 3.31Å; T311-C332 PolarHBondContact O-N 2.78Å |
| 312 | F | 88.3 | Confident | 71.8 | Confident | 35 Ų | 35 | 57.8 Ų | 57.8 | 15% | 0.154 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 125.4 | 176.7 | 176.4 | -111 | 0 | 0 | 0 | 110.4 | S314 T315 I317 P321 Y324 C332 | F312-S314 VanDerWaalsContact C-N 3.31Å; F312-S314 PolarHBondContact O-N 2.91Å; F312-T315 PolarHBondContact N-O 3.32Å; F312-T315 WeakPolarHBondContact O-CA 3.22Å; F312-T315 WeakPolarHBondContact O-CB 3.28Å; F312-T315 PolarHBondContact O-N 3.03Å; F312-T315 PolarHBondContact O-OG1 2.8Å; F312-I317 HydrophobicContact CB-CD1 3.55Å; F312-I317 HydrophobicContact CB-CG1 4.17Å; F312-I317 HydrophobicContact CD1-CD1 3.99Å; F312-I317 HydrophobicContact CG-CD1 4.05Å; F312-P321 HydrophobicContact CD1-CG 3.8Å; F312-P321 HydrophobicContact CE1-CG 3.56Å; F312-P321 HydrophobicContact CE2-CG 4.38Å; F312-P321 HydrophobicContact CG-CG 4.31Å; F312-P321 HydrophobicContact CZ-CG 3.87Å; F312-Y324 HydrophobicContact CD2-CD1 4.15Å; F312-Y324 HydrophobicContact CD2-CE1 4.28Å; F312-Y324 AromaticContact CE2-CD1 3.7Å; F312-Y324 HydrophobicContact CE2-CD1 3.7Å; F312-Y324 HydrophobicContact CE2-CD2 4.42Å; F312-Y324 AromaticContact CE2-CE1 3.49Å; F312-Y324 HydrophobicContact CE2-CE1 3.49Å; F312-Y324 VanDerWaalsContact CE2-CE1 3.49Å; F312-Y324 HydrophobicContact CE2-CE2 4.25Å; F312-Y324 HydrophobicContact CE2-CG 4.2Å; F312-Y324 AromaticContact CE2-CZ 3.8Å; F312-Y324 HydrophobicContact CZ-CE1 4.34Å; F312-Y324 HydrophobicContact CZ-CE2 4.38Å; F312-C332 HydrophobicContact CB-CB 3.94Å; F312-C332 HydrophobicContact CD2-CB 3.83Å; F312-C332 HydrophobicContact CG-CB 4.22Å |
| 313 | N | 85 | Confident | 73.4 | Confident | 126 Ų | 126 | 57 Ų | 57 | 67% | 0.674 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.8 | 52.6 | 178 | -66.9 | 1.6 | 0 | 0 | 0 | 113.8 | T315 | N313-T315 PolarHBondContact O-N 3.17Å; N313-T315 VanDerWaalsContact O-N 3.1Å |
| 314 | S | 86.1 | Confident | 75.3 | Confident | 81 Ų | 81 | 58.5 Ų | 58.5 | 57% | 0.566 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 17.4 | -176.7 | -52.8 | 0 | 0 | 0 | 0 | 115.9 | Y278 L279 F312 | Y278-S314 CarbonylContact C-O 3.11Å; Y278-S314 WeakPolarHBondContact CA-O 3.33Å; L279-S314 PolarHBondContact N-O 2.81Å; F312-S314 VanDerWaalsContact C-N 3.31Å; F312-S314 PolarHBondContact O-N 2.91Å |
| 315 | T | 88.4 | Confident | 77 | Confident | 34 Ų | 34 | 53.1 Ų | 53.1 | 21% | 0.209 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 154.4 | 170 | 70.6 | 0 | 0 | 0 | 0 | 111.2 | L279 F312 N313 | L279-T315 HydrophobicContact CB-CG2 4.34Å; L279-T315 CarbonylContact O-C 3.5Å; L279-T315 WeakPolarHBondContact O-CA 3.3Å; F312-T315 PolarHBondContact N-O 3.32Å; F312-T315 WeakPolarHBondContact O-CA 3.22Å; F312-T315 WeakPolarHBondContact O-CB 3.28Å; F312-T315 PolarHBondContact O-N 3.03Å; F312-T315 PolarHBondContact O-OG1 2.8Å; N313-T315 PolarHBondContact O-N 3.17Å; N313-T315 VanDerWaalsContact O-N 3.1Å |
| 316 | C | 89.4 | Confident | 78.5 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 3% | 0.027 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 110.6 | 172.8 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | L279 L280 I286 C291 | L279-C316 PolarHBondContact O-N 3.15Å; L280-C316 HydrophobicContact CB-CB 4.5Å; L280-C316 HydrophobicContact CD1-CB 4.26Å; I286-C316 HydrophobicContact CD1-CB 4.06Å; C291-C316 WeakPolarHBondContact CA-SG 3.29Å; C291-C316 HydrophobicContact CB-CB 3.86Å; C291-C316 WeakPolarHBondContact CB-SG 2.96Å; C291-C316 VanDerWaalsContact SG-CA 3.56Å; C291-C316 WeakPolarHBondContact SG-CB 3.26Å; C291-C316 CovalentContact SG-SG 2.03Å; C291-C316 PolarHBondContact SG-SG 2.9Å |
| 317 | I | 83.1 | Confident | 79.6 | Confident | 37 Ų | 37 | 51 Ų | 51 | 19% | 0.19 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 145.6 | -171.1 | 56.9 | 178.5 | 0 | 0 | 0 | 112 | F309 S310 F312 T319 P321 | F309-I317 WeakPolarHBondContact CA-O 3.37Å; S310-I317 PolarHBondContact N-O 3.46Å; S310-I317 PolarHBondContact O-N 3.11Å; F312-I317 HydrophobicContact CB-CD1 3.55Å; F312-I317 HydrophobicContact CB-CG1 4.17Å; F312-I317 HydrophobicContact CD1-CD1 3.99Å; F312-I317 HydrophobicContact CG-CD1 4.05Å; I317-T319 VanDerWaalsContact C-N 3.27Å; I317-T319 WeakPolarHBondContact CD1-O 3.44Å; I317-T319 PolarHBondContact O-N 3.37Å; I317-P321 HydrophobicContact CD1-CG 4.42Å |
| 318 | P | 76.6 | Confident | 80.5 | Confident | 43 Ų | 43 | 58.1 Ų | 58.1 | 28% | 0.279 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -70.8 | -21.1 | -177.8 | 28.1 | -35.4 | 0 | 0 | 0 | 113.6 | A307 F309 | A307-P318 HydrophobicContact CB-CB 4.35Å; F309-P318 HydrophobicContact CD1-CB 4.46Å; F309-P318 HydrophobicContact CD2-CB 4.43Å; F309-P318 HydrophobicContact CE1-CB 4.15Å; F309-P318 HydrophobicContact CE2-CB 4.09Å; F309-P318 HydrophobicContact CZ-CB 3.96Å |
| 319 | T | 74.6 | Confident | 80.7 | Confident | 83 Ų | 83 | 57.4 Ų | 57.4 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -149.9 | 141.4 | 179.2 | 53.1 | 0 | 0 | 0 | 0 | 109.8 | I317 | I317-T319 VanDerWaalsContact C-N 3.27Å; I317-T319 WeakPolarHBondContact CD1-O 3.44Å; I317-T319 PolarHBondContact O-N 3.37Å |
| 320 | C | 79 | Confident | 80.6 | Confident | 26 Ų | 26 | 57.2 Ų | 57.2 | 18% | 0.176 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 156 | 174.4 | -58.8 | 0 | 0 | 0 | 0 | 112.8 | Y324 R326 C332 | C320-Y324 WeakPolarHBondContact CB-O 3.49Å; C320-R326 PolarHBondContact SG-N 3.4Å; C320-C332 WeakPolarHBondContact CA-SG 3.5Å; C320-C332 HydrophobicContact CB-CB 3.76Å; C320-C332 WeakPolarHBondContact CB-SG 3.5Å; C320-C332 VanDerWaalsContact SG-CA 3.56Å; C320-C332 WeakPolarHBondContact SG-CB 3.09Å; C320-C332 CovalentContact SG-SG 2.04Å; C320-C332 PolarHBondContact SG-SG 3.22Å |
| 321 | P | 71.1 | Confident | 80.7 | Confident | 50 Ų | 50 | 60.9 Ų | 60.9 | 33% | 0.325 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 171.6 | 174.4 | -21.2 | 33.2 | 0 | 0 | 0 | 114.1 | F312 I317 Y324 | F312-P321 HydrophobicContact CD1-CG 3.8Å; F312-P321 HydrophobicContact CE1-CG 3.56Å; F312-P321 HydrophobicContact CE2-CG 4.38Å; F312-P321 HydrophobicContact CG-CG 4.31Å; F312-P321 HydrophobicContact CZ-CG 3.87Å; I317-P321 HydrophobicContact CD1-CG 4.42Å; P321-Y324 HydrophobicContact CB-CD2 4.21Å; P321-Y324 HydrophobicContact CG-CD2 4.47Å; P321-Y324 PolarHBondContact O-N 3.07Å |
| 322 | L | 60.5 | Low | 80.5 | Confident | 105 Ų | 105 | 61.5 Ų | 61.5 | 55% | 0.55 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | 144.2 | 159.9 | -88.9 | 158 | 0 | 0 | 0 | 109.9 | Y324 | L322-Y324 WeakPolarHBondContact O-CD2 3.48Å; L322-Y324 PolarHBondContact O-N 2.77Å |
| 323 | E | 68.4 | Low | 80.4 | Confident | 92 Ų | 92 | 65 Ų | 65 | 43% | 0.43 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 3.9 | -172.7 | -61 | 146.6 | -131.9 | 0 | 0 | 116.2 | F334 C335 C340 | E323-F334 HydrophobicContact CB-CD2 3.95Å; E323-F334 HydrophobicContact CB-CE2 3.68Å; E323-F334 HydrophobicContact CG-CE2 4.35Å; E323-F334 CarbonylContact O-C 3.53Å; E323-F334 WeakPolarHBondContact O-CA 3.43Å; E323-C335 PolarHBondContact O-N 3.06Å; E323-C340 VanDerWaalsContact CA-SG 3.59Å |
| 324 | Y | 79.1 | Confident | 80.2 | Confident | 71 Ų | 71 | 63.5 Ų | 63.5 | 28% | 0.278 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 143.6 | 178.8 | -69.1 | -105.1 | 0 | 0 | 0 | 113.5 | F312 C320 P321 L322 C332 Q333 F334 | F312-Y324 HydrophobicContact CD2-CD1 4.15Å; F312-Y324 HydrophobicContact CD2-CE1 4.28Å; F312-Y324 AromaticContact CE2-CD1 3.7Å; F312-Y324 HydrophobicContact CE2-CD1 3.7Å; F312-Y324 HydrophobicContact CE2-CD2 4.42Å; F312-Y324 AromaticContact CE2-CE1 3.49Å; F312-Y324 HydrophobicContact CE2-CE1 3.49Å; F312-Y324 VanDerWaalsContact CE2-CE1 3.49Å; F312-Y324 HydrophobicContact CE2-CE2 4.25Å; F312-Y324 HydrophobicContact CE2-CG 4.2Å; F312-Y324 AromaticContact CE2-CZ 3.8Å; F312-Y324 HydrophobicContact CZ-CE1 4.34Å; F312-Y324 HydrophobicContact CZ-CE2 4.38Å; C320-Y324 WeakPolarHBondContact CB-O 3.49Å; P321-Y324 HydrophobicContact CB-CD2 4.21Å; P321-Y324 HydrophobicContact CG-CD2 4.47Å; P321-Y324 PolarHBondContact O-N 3.07Å; L322-Y324 WeakPolarHBondContact O-CD2 3.48Å; L322-Y324 PolarHBondContact O-N 2.77Å; Y324-C332 HydrophobicContact CD1-CB 4.41Å; Y324-Q333 CarbonylContact C-O 3.5Å; Y324-Q333 VanDerWaalsContact CA-O 3.28Å; Y324-Q333 WeakPolarHBondContact CA-O 3.36Å; Y324-Q333 VanDerWaalsContact CD1-C 3.42Å; Y324-F334 HydrophobicContact CD1-CB 4.1Å; Y324-F334 VanDerWaalsContact CD1-N 3.26Å; Y324-F334 HydrophobicContact CD2-CD2 4.33Å; Y324-F334 HydrophobicContact CE1-CB 3.61Å; Y324-F334 HydrophobicContact CE1-CD2 4.4Å; Y324-F334 HydrophobicContact CE1-CG 4.5Å; Y324-F334 HydrophobicContact CE2-CB 4.48Å; Y324-F334 AromaticContact CE2-CD2 3.76Å; Y324-F334 HydrophobicContact CE2-CD2 3.76Å; Y324-F334 AromaticContact CZ-CD2 3.78Å |
| 325 | V | 75.3 | Confident | 79.4 | Confident | 48 Ų | 48 | 60.5 Ų | 60.5 | 29% | 0.291 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 146.9 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | L327 C332 Q333 C335 | V325-L327 PolarHBondContact O-N 3.35Å; V325-C332 CarbonylContact O-C 3.47Å; V325-C332 WeakPolarHBondContact O-CA 3.07Å; V325-Q333 PolarHBondContact N-O 2.87Å; V325-Q333 PolarHBondContact O-N 2.87Å; V325-C335 VanDerWaalsContact CG2-SG 3.56Å |
| 326 | R | 81.7 | Confident | 78.2 | Confident | 90 Ų | 90 | 62.4 Ų | 62.4 | 34% | 0.34 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 116.9 | 176.9 | -170.7 | -169.2 | -166.4 | -86.6 | 7.3 | 110.4 | N308 F309 S310 C320 | N308-R326 PolarHBondContact O-NE 2.67Å; F309-R326 PolarHBondContact O-NE 2.67Å; F309-R326 PolarHBondContact O-NH2 2.87Å; S310-R326 WeakPolarHBondContact OG-CD 3.47Å; S310-R326 WeakPolarHBondContact OG-CG 3.45Å; S310-R326 PolarHBondContact OG-NE 3.3Å; C320-R326 PolarHBondContact SG-N 3.4Å |
| 327 | L | 81.6 | Confident | 76.5 | Confident | 64 Ų | 64 | 69 Ų | 69 | 34% | 0.335 | 37% | 0.37 | S | S | . | . | trans | -72.3 | 163.9 | 171.3 | -67.8 | 178 | 0 | 0 | 0 | 112.4 | V325 S329 G330 E331 Q333 | V325-L327 PolarHBondContact O-N 3.35Å; L327-S329 WeakPolarHBondContact CB-OG 3.38Å; L327-S329 PolarHBondContact O-N 3.44Å; L327-G330 PolarHBondContact O-N 2.88Å; L327-E331 WeakPolarHBondContact CB-O 3.41Å; L327-E331 PolarHBondContact N-O 3.35Å; L327-Q333 HydrophobicContact CD1-CB 3.93Å; L327-Q333 HydrophobicContact CD2-CB 4.45Å; L327-Q333 HydrophobicContact CG-CB 4.04Å | ||
| 328 | V | 80.2 | Confident | 75 | Confident | 154 Ų | 154 | 72.7 Ų | 72.7 | 93% | 0.933 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -30.8 | 170.9 | -173.6 | 0 | 0 | 0 | 0 | 111.2 | G330 | V328-G330 PolarHBondContact O-N 3.49Å; V328-G330 VanDerWaalsContact O-N 3.14Å |
| 329 | S | 82.6 | Confident | 73.8 | Confident | 57 Ų | 57 | 78.8 Ų | 78.8 | 40% | 0.399 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -3.5 | 175.4 | 61.4 | 0 | 0 | 0 | 0 | 115.4 | R288 I292 L327 | R288-S329 PolarHBondContact NH2-O 2.81Å; I292-S329 WeakPolarHBondContact CD1-O 3.3Å; L327-S329 WeakPolarHBondContact CB-OG 3.38Å; L327-S329 PolarHBondContact O-N 3.44Å |
| 330 | G | 84.1 | Confident | 72.9 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 41% | 0.409 | C | S | . | . | S | Bend | trans | 86.7 | 3.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | S310 T311 L327 V328 | S310-G330 CarbonylContact C-O 3.46Å; S310-G330 WeakPolarHBondContact CA-O 3.3Å; T311-G330 PolarHBondContact N-O 2.87Å; T311-G330 PolarHBondContact OG1-O 3.37Å; L327-G330 PolarHBondContact O-N 2.88Å; V328-G330 PolarHBondContact O-N 3.49Å; V328-G330 VanDerWaalsContact O-N 3.14Å |
| 331 | E | 88.5 | Confident | 71.7 | Confident | 79 Ų | 79 | 82.2 Ų | 82.2 | 37% | 0.369 | 44% | 0.436 | S | S | . | . | B | Isolated β-bridge | trans | -112.3 | 146.1 | -165.8 | -167.1 | 153 | -159.3 | 0 | 0 | 112.6 | R288 T311 L327 | R288-E331 IonicContact NH2-OE2 3.31Å; R288-E331 PolarHBondContact NH2-OE2 3.22Å; T311-E331 WeakPolarHBondContact OG1-CA 3.31Å; L327-E331 WeakPolarHBondContact CB-O 3.41Å; L327-E331 PolarHBondContact N-O 3.35Å |
| 332 | C | 86.8 | Confident | 71.1 | Confident | 12 Ų | 12 | 86 Ų | 86 | 8% | 0.081 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 116.3 | -177.9 | -65.4 | 0 | 0 | 0 | 0 | 111.8 | T311 F312 C320 Y324 V325 | T311-C332 PolarHBondContact O-N 2.78Å; F312-C332 HydrophobicContact CB-CB 3.94Å; F312-C332 HydrophobicContact CD2-CB 3.83Å; F312-C332 HydrophobicContact CG-CB 4.22Å; C320-C332 WeakPolarHBondContact CA-SG 3.5Å; C320-C332 HydrophobicContact CB-CB 3.76Å; C320-C332 WeakPolarHBondContact CB-SG 3.5Å; C320-C332 VanDerWaalsContact SG-CA 3.56Å; C320-C332 WeakPolarHBondContact SG-CB 3.09Å; C320-C332 CovalentContact SG-SG 2.04Å; C320-C332 PolarHBondContact SG-SG 3.22Å; Y324-C332 HydrophobicContact CD1-CB 4.41Å; V325-C332 CarbonylContact O-C 3.47Å; V325-C332 WeakPolarHBondContact O-CA 3.07Å |
| 333 | Q | 85.6 | Confident | 71.6 | Confident | 110 Ų | 110 | 87.4 Ų | 87.4 | 51% | 0.514 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137 | 179.9 | -172.7 | 177.7 | 21.7 | 0 | 0 | 112.5 | Y324 V325 L327 | Y324-Q333 CarbonylContact C-O 3.5Å; Y324-Q333 VanDerWaalsContact CA-O 3.28Å; Y324-Q333 WeakPolarHBondContact CA-O 3.36Å; Y324-Q333 VanDerWaalsContact CD1-C 3.42Å; V325-Q333 PolarHBondContact N-O 2.87Å; V325-Q333 PolarHBondContact O-N 2.87Å; L327-Q333 HydrophobicContact CD1-CB 3.93Å; L327-Q333 HydrophobicContact CD2-CB 4.45Å; L327-Q333 HydrophobicContact CG-CB 4.04Å |
| 334 | F | 81.7 | Confident | 72.1 | Confident | 93 Ų | 93 | 85.9 Ų | 85.9 | 41% | 0.408 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 140.9 | 177.4 | -178 | -110.8 | 0 | 0 | 0 | 112.7 | E323 Y324 P336 | E323-F334 HydrophobicContact CB-CD2 3.95Å; E323-F334 HydrophobicContact CB-CE2 3.68Å; E323-F334 HydrophobicContact CG-CE2 4.35Å; E323-F334 CarbonylContact O-C 3.53Å; E323-F334 WeakPolarHBondContact O-CA 3.43Å; Y324-F334 HydrophobicContact CD1-CB 4.1Å; Y324-F334 VanDerWaalsContact CD1-N 3.26Å; Y324-F334 HydrophobicContact CD2-CD2 4.33Å; Y324-F334 HydrophobicContact CE1-CB 3.61Å; Y324-F334 HydrophobicContact CE1-CD2 4.4Å; Y324-F334 HydrophobicContact CE1-CG 4.5Å; Y324-F334 HydrophobicContact CE2-CB 4.48Å; Y324-F334 AromaticContact CE2-CD2 3.76Å; Y324-F334 HydrophobicContact CE2-CD2 3.76Å; Y324-F334 AromaticContact CZ-CD2 3.78Å; F334-P336 HydrophobicContact CD1-CG 4.23Å; F334-P336 HydrophobicContact CE1-CB 4.4Å; F334-P336 HydrophobicContact CE1-CG 3.84Å |
| 335 | C | 69.7 | Low | 72.3 | Confident | 19 Ų | 19 | 82.8 Ų | 82.8 | 13% | 0.128 | 44% | 0.437 | C | S | . | . | trans | -129.5 | 108.1 | 178.3 | -67 | 0 | 0 | 0 | 0 | 109.9 | E323 V325 C340 | E323-C335 PolarHBondContact O-N 3.06Å; V325-C335 VanDerWaalsContact CG2-SG 3.56Å; C335-C340 HydrophobicContact CB-CB 3.76Å | ||
| 336 | P | 61.9 | Low | 72.5 | Confident | 73 Ų | 73 | 82 Ų | 82 | 47% | 0.474 | 44% | 0.439 | S | S | . | . | trans | -55.7 | 157.1 | 175.3 | -24.2 | 32.7 | 0 | 0 | 0 | 113 | F334 S338 K339 | F334-P336 HydrophobicContact CD1-CG 4.23Å; F334-P336 HydrophobicContact CE1-CB 4.4Å; F334-P336 HydrophobicContact CE1-CG 3.84Å; P336-S338 PolarHBondContact O-N 3.33Å; P336-K339 PolarHBondContact O-N 3.48Å | ||
| 337 | D | 54.1 | Low | 72.6 | Confident | 143 Ų | 143 | 79.1 Ų | 79.1 | 77% | 0.765 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -14.9 | -158.1 | -50.5 | -76.1 | 0 | 0 | 0 | 117.4 | ||
| 338 | S | 51.6 | Low | 72.8 | Confident | 114 Ų | 114 | 76.2 Ų | 76.2 | 80% | 0.797 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -8.1 | 177 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | P336 | P336-S338 PolarHBondContact O-N 3.33Š|
| 339 | K | 52.3 | Low | 73 | Confident | 171 Ų | 171 | 70.6 Ų | 70.6 | 74% | 0.743 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.3 | -12.1 | -177.3 | -69.2 | -172.5 | 179.3 | 179.6 | 0 | 114.9 | P336 | P336-K339 PolarHBondContact O-N 3.48Š|
| 340 | C | 55.4 | Low | 73.1 | Confident | 36 Ų | 36 | 67.9 Ų | 67.9 | 24% | 0.243 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -72.6 | 139.5 | 173 | -157.5 | 0 | 0 | 0 | 0 | 110.8 | E323 C335 K342 | E323-C340 VanDerWaalsContact CA-SG 3.59Å; C335-C340 HydrophobicContact CB-CB 3.76Å; C340-K342 PolarHBondContact O-N 2.89Å |
| 341 | I | 53.9 | Low | 73 | Confident | 145 Ų | 145 | 72.9 Ų | 72.9 | 74% | 0.744 | 38% | 0.38 | S | S | * | . | trans | -74.8 | 103.4 | -175.2 | -57.9 | 176.4 | 0 | 0 | 0 | 109.6 | R343 | I341-R343 PolarHBondContact O-N 3.18Š| ||
| 342 | K | 57.8 | Low | 72.7 | Confident | 130 Ų | 130 | 74.2 Ų | 74.2 | 57% | 0.565 | 39% | 0.385 | S | S | * | . | trans | -38 | 119.2 | 168.7 | -84.7 | -174.3 | 140.2 | -162.4 | 0 | 110.5 | C340 A344 V363 E391 | C340-K342 PolarHBondContact O-N 2.89Å; K342-A344 PolarHBondContact O-N 2.76Å; K342-V363 HydrophobicContact CB-CB 4.05Å; K342-V363 HydrophobicContact CB-CG2 3.66Å; K342-V363 HydrophobicContact CD-CB 4.33Å; K342-V363 HydrophobicContact CD-CG1 4.11Å; K342-V363 HydrophobicContact CD-CG2 3.74Å; K342-V363 HydrophobicContact CG-CB 4.47Å; K342-V363 HydrophobicContact CG-CG2 3.68Å; K342-E391 IonicContact NZ-OE1 3.43Å; K342-E391 PolarHBondContact NZ-OE1 2.88Å | ||
| 343 | R | 71 | Confident | 72.4 | Confident | 135 Ų | 135 | 74.9 Ų | 74.9 | 51% | 0.509 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 125.9 | -160.4 | -166.1 | -179 | 175.6 | -155.4 | 3.9 | 112.7 | I341 C345 G361 V363 T364 | I341-R343 PolarHBondContact O-N 3.18Å; R343-C345 VanDerWaalsContact CD-SG 3.55Å; R343-C345 PolarHBondContact O-N 3.38Å; R343-G361 VanDerWaalsContact CB-O 3.26Å; R343-G361 WeakPolarHBondContact CB-O 3.4Å; R343-G361 PolarHBondContact N-O 3.47Å; R343-V363 PolarHBondContact O-N 2.92Å; R343-T364 PolarHBondContact O-N 2.8Å |
| 344 | A | 78.5 | Confident | 72.2 | Confident | 59 Ų | 59 | 72.7 Ų | 72.7 | 49% | 0.488 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 73.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K342 T364 R422 | K342-A344 PolarHBondContact O-N 2.76Å; A344-T364 CarbonylContact C-O 3.57Å; A344-T364 WeakPolarHBondContact CA-OG1 3.48Å; A344-R422 PolarHBondContact O-NH1 2.86Å; A344-R422 PolarHBondContact O-NH2 3.26Å |
| 345 | C | 83.5 | Confident | 72.3 | Confident | 7 Ų | 7 | 69.4 Ų | 69.4 | 5% | 0.047 | 37% | 0.372 | C | S | . | . | trans | -61.6 | 159.9 | -175.1 | -65.9 | 0 | 0 | 0 | 0 | 114.1 | R343 I348 C362 T364 Q366 R422 | R343-C345 VanDerWaalsContact CD-SG 3.55Å; R343-C345 PolarHBondContact O-N 3.38Å; C345-I348 HydrophobicContact CB-CD1 4.37Å; C345-C362 HydrophobicContact CB-CB 3.71Å; C345-C362 WeakPolarHBondContact CB-SG 3.44Å; C345-C362 VanDerWaalsContact SG-CA 3.59Å; C345-C362 WeakPolarHBondContact SG-CB 3.03Å; C345-C362 CovalentContact SG-SG 2.02Å; C345-C362 PolarHBondContact SG-SG 3.28Å; C345-T364 WeakPolarHBondContact CA-O 3.3Å; C345-T364 WeakPolarHBondContact CB-O 3.18Å; C345-T364 PolarHBondContact N-O 3.41Å; C345-Q366 PolarHBondContact O-N 2.02Å; C345-R422 PolarHBondContact O-NH1 3.49Å; C345-R422 PolarHBondContact O-NH2 3.16Å | ||
| 346 | G | 81 | Confident | 73.1 | Confident | 32 Ų | 32 | 68.7 Ų | 68.7 | 33% | 0.33 | 37% | 0.367 | S | S | . | . | trans | -87.1 | -148.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q366 | G346-Q366 VanDerWaalsContact C-CB 3.41Å; G346-Q366 PolarHBondContact O-N 3.06Å | ||
| 347 | D | 83 | Confident | 74.1 | Confident | 28 Ų | 28 | 73 Ų | 73 | 15% | 0.15 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 140.2 | 176 | -47.5 | -80.5 | 0 | 0 | 0 | 110.7 | K111 N302 Q366 S367 | K111-D347 PolarHBondContact NZ-O 3.21Å; N302-D347 PolarHBondContact ND2-OD2 3.39Å; D347-Q366 VanDerWaalsContact OD1-CG 3.3Å; D347-Q366 WeakPolarHBondContact OD1-CG 3.42Å; D347-S367 CarbonylContact C-O 3.58Å; D347-S367 WeakPolarHBondContact CA-O 2.98Å; D347-S367 VanDerWaalsContact CB-OG 3.3Å; D347-S367 WeakPolarHBondContact CB-OG 3.47Å; D347-S367 PolarHBondContact OD1-OG 3.44Å |
| 348 | I | 85.2 | Confident | 75.5 | Confident | 4 Ų | 4 | 69.5 Ų | 69.5 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 126.7 | -176 | -52.8 | 175.9 | 0 | 0 | 0 | 110.4 | C345 V350 Q358 V359 A365 S367 I368 L369 | C345-I348 HydrophobicContact CB-CD1 4.37Å; I348-V350 HydrophobicContact CG2-CG2 4.2Å; I348-Q358 HydrophobicContact CG2-CB 3.68Å; I348-V359 HydrophobicContact CD1-CG2 4.22Å; I348-V359 HydrophobicContact CG2-CG2 3.87Å; I348-A365 HydrophobicContact CD1-CB 3.91Å; I348-A365 HydrophobicContact CG1-CB 4.5Å; I348-S367 PolarHBondContact N-O 2.86Å; I348-I368 HydrophobicContact CB-CG1 4.27Å; I348-I368 HydrophobicContact CD1-CD1 4.28Å; I348-I368 HydrophobicContact CD1-CG1 4.36Å; I348-I368 CarbonylContact O-C 3.6Å; I348-I368 WeakPolarHBondContact O-CA 3.39Å; I348-L369 PolarHBondContact O-N 2.95Å |
| 349 | N | 84.6 | Confident | 77.1 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 19% | 0.193 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 121.4 | 178 | -61.3 | -13.1 | 0 | 0 | 0 | 110 | Y351 Q358 L369 | N349-Y351 HydrophobicContact CB-CD2 4.4Å; N349-Y351 HydrophobicContact CB-CE2 3.67Å; N349-Q358 PolarHBondContact O-NE2 2.86Å; N349-L369 CarbonylContact C-O 3.59Å; N349-L369 WeakPolarHBondContact CA-O 3.44Å |
| 350 | V | 85.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 106.7 | -179.6 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | I348 D355 L356 L369 I370 S371 | I348-V350 HydrophobicContact CG2-CG2 4.2Å; V350-D355 HydrophobicContact CB-CB 4.47Å; V350-D355 HydrophobicContact CG1-CB 4.28Å; V350-L356 HydrophobicContact CG1-CD2 3.95Å; V350-L356 HydrophobicContact CG1-CG 4.43Å; V350-L356 HydrophobicContact CG2-CD2 4.47Å; V350-L369 PolarHBondContact N-O 3.47Å; V350-I370 HydrophobicContact CB-CG1 4.46Å; V350-S371 PolarHBondContact O-N 3.06Å |
| 351 | Y | 82.1 | Confident | 79.5 | Confident | 104 Ų | 104 | 60.6 Ų | 60.6 | 41% | 0.408 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -106.8 | -20.4 | 177.8 | -60.1 | -69.4 | 0 | 0 | 0 | 112.9 | N349 D355 L369 | N349-Y351 HydrophobicContact CB-CD2 4.4Å; N349-Y351 HydrophobicContact CB-CE2 3.67Å; Y351-D355 PolarHBondContact N-OD2 3.28Å; Y351-L369 HydrophobicContact CE1-CD2 4.29Å |
| 352 | K | 82.7 | Confident | 81 | Confident | 108 Ų | 108 | 53.7 Ų | 53.7 | 47% | 0.47 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -150.6 | 158.9 | 179.1 | 48.6 | 176.9 | 166.4 | 65.4 | 0 | 110.1 | S354 D355 | K352-S354 PolarHBondContact NZ-OG 2.87Å; K352-S354 PolarHBondContact O-N 2.88Å; K352-D355 WeakPolarHBondContact CG-OD1 3.44Å; K352-D355 WeakPolarHBondContact CG-OD2 3.42Å; K352-D355 PolarHBondContact N-OD2 2.02Å; K352-D355 VanDerWaalsContact N-OD2 3.1Å; K352-D355 IonicContact NZ-OD1 2.76Å; K352-D355 PolarHBondContact NZ-OD1 2.87Å; K352-D355 IonicContact NZ-OD2 3.17Å; K352-D355 VanDerWaalsContact O-CB 3.23Å; K352-D355 WeakPolarHBondContact O-CB 3.25Å; K352-D355 VanDerWaalsContact O-CG 3.31Å; K352-D355 PolarHBondContact O-N 2.91Å |
| 353 | V | 80.4 | Confident | 82.4 | Confident | 26 Ų | 26 | 48.2 Ų | 48.2 | 16% | 0.158 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -54.7 | -32 | -174.1 | -170 | 0 | 0 | 0 | 0 | 113.4 | D355 L356 I372 C375 D379 K382 F383 | V353-D355 PolarHBondContact O-N 3.02Å; V353-D355 VanDerWaalsContact O-N 3.14Å; V353-L356 HydrophobicContact CG1-CD1 3.78Å; V353-L356 WeakPolarHBondContact O-CB 3.3Å; V353-L356 WeakPolarHBondContact O-CD1 3.49Å; V353-L356 VanDerWaalsContact O-CG 3.24Å; V353-L356 WeakPolarHBondContact O-CG 3.24Å; V353-L356 PolarHBondContact O-N 2.84Å; V353-I372 HydrophobicContact CG2-CD1 3.7Å; V353-C375 HydrophobicContact CG2-CB 4.42Å; V353-D379 HydrophobicContact CG1-CB 3.96Å; V353-D379 HydrophobicContact CG2-CB 4.13Å; V353-D379 WeakPolarHBondContact CG2-OD2 3.26Å; V353-K382 HydrophobicContact CG1-CB 4.26Å; V353-K382 HydrophobicContact CG1-CD 3.85Å; V353-F383 HydrophobicContact CG2-CE2 4.46Å |
| 354 | S | 80.1 | Confident | 83.3 | Confident | 64 Ų | 64 | 43 Ų | 43 | 45% | 0.448 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -60.6 | -24.1 | 176.2 | 65.8 | 0 | 0 | 0 | 0 | 114.3 | K352 L356 | K352-S354 PolarHBondContact NZ-OG 2.87Å; K352-S354 PolarHBondContact O-N 2.88Å; S354-L356 VanDerWaalsContact C-N 3.29Å |
| 355 | D | 84.6 | Confident | 83.8 | Confident | 23 Ų | 23 | 40.1 Ų | 40.1 | 12% | 0.123 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -80.5 | -15.1 | -171.7 | -55.9 | -13.6 | 0 | 0 | 0 | 112 | V350 Y351 K352 V353 K357 Q358 | V350-D355 HydrophobicContact CB-CB 4.47Å; V350-D355 HydrophobicContact CG1-CB 4.28Å; Y351-D355 PolarHBondContact N-OD2 3.28Å; K352-D355 WeakPolarHBondContact CG-OD1 3.44Å; K352-D355 WeakPolarHBondContact CG-OD2 3.42Å; K352-D355 PolarHBondContact N-OD2 2.02Å; K352-D355 VanDerWaalsContact N-OD2 3.1Å; K352-D355 IonicContact NZ-OD1 2.76Å; K352-D355 PolarHBondContact NZ-OD1 2.87Å; K352-D355 IonicContact NZ-OD2 3.17Å; K352-D355 VanDerWaalsContact O-CB 3.23Å; K352-D355 WeakPolarHBondContact O-CB 3.25Å; K352-D355 VanDerWaalsContact O-CG 3.31Å; K352-D355 PolarHBondContact O-N 2.91Å; V353-D355 PolarHBondContact O-N 3.02Å; V353-D355 VanDerWaalsContact O-N 3.14Å; D355-K357 PolarHBondContact O-N 3.01Å; D355-K357 VanDerWaalsContact O-N 3.1Å; D355-Q358 WeakPolarHBondContact O-CB 3.41Å; D355-Q358 WeakPolarHBondContact O-CG 2.96Å; D355-Q358 PolarHBondContact O-N 3.45Å; D355-Q358 PolarHBondContact O-NE2 2.94Å |
| 356 | L | 85.1 | Confident | 83.9 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -54.8 | -23.7 | 173.4 | -67.4 | 177 | 0 | 0 | 0 | 113.2 | V350 V353 S354 Q358 V359 K382 F383 A386 F387 | V350-L356 HydrophobicContact CG1-CD2 3.95Å; V350-L356 HydrophobicContact CG1-CG 4.43Å; V350-L356 HydrophobicContact CG2-CD2 4.47Å; V353-L356 HydrophobicContact CG1-CD1 3.78Å; V353-L356 WeakPolarHBondContact O-CB 3.3Å; V353-L356 WeakPolarHBondContact O-CD1 3.49Å; V353-L356 VanDerWaalsContact O-CG 3.24Å; V353-L356 WeakPolarHBondContact O-CG 3.24Å; V353-L356 PolarHBondContact O-N 2.84Å; S354-L356 VanDerWaalsContact C-N 3.29Å; L356-Q358 PolarHBondContact O-N 3.15Å; L356-V359 PolarHBondContact O-N 2.83Å; L356-K382 HydrophobicContact CD1-CB 4.14Å; L356-F383 HydrophobicContact CD1-CD1 4.36Å; L356-F383 HydrophobicContact CD1-CD2 3.84Å; L356-F383 HydrophobicContact CD1-CE1 4.48Å; L356-F383 HydrophobicContact CD1-CE2 3.96Å; L356-F383 HydrophobicContact CD1-CG 4.04Å; L356-F383 HydrophobicContact CD1-CZ 4.27Å; L356-F383 HydrophobicContact CD2-CD1 3.94Å; L356-F383 HydrophobicContact CD2-CE1 3.81Å; L356-F383 HydrophobicContact CD2-CG 4.43Å; L356-F383 HydrophobicContact CD2-CZ 4.18Å; L356-A386 HydrophobicContact CB-CB 3.7Å; L356-A386 HydrophobicContact CD1-CB 4.44Å; L356-A386 HydrophobicContact CD2-CB 4.18Å; L356-A386 HydrophobicContact CG-CB 4.33Å; L356-F387 HydrophobicContact CD2-CD2 4.35Å; L356-F387 HydrophobicContact CD2-CE2 3.67Å |
| 357 | K | 83.5 | Confident | 84.2 | Confident | 163 Ų | 163 | 40.1 Ų | 40.1 | 71% | 0.709 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -56.3 | -16.5 | 171.1 | -66.5 | -176.2 | 178.2 | -173.1 | 0 | 114 | D355 | D355-K357 PolarHBondContact O-N 3.01Å; D355-K357 VanDerWaalsContact O-N 3.1Å |
| 358 | Q | 83.7 | Confident | 84.7 | Confident | 70 Ų | 70 | 38.8 Ų | 38.8 | 33% | 0.327 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -77.6 | -19.2 | 173.6 | -68.6 | 169.5 | 96.8 | 0 | 0 | 114.1 | I348 N349 D355 L356 C362 | I348-Q358 HydrophobicContact CG2-CB 3.68Å; N349-Q358 PolarHBondContact O-NE2 2.86Å; D355-Q358 WeakPolarHBondContact O-CB 3.41Å; D355-Q358 WeakPolarHBondContact O-CG 2.96Å; D355-Q358 PolarHBondContact O-N 3.45Å; D355-Q358 PolarHBondContact O-NE2 2.94Å; L356-Q358 PolarHBondContact O-N 3.15Å; Q358-C362 PolarHBondContact O-SG 2.62Å |
| 359 | V | 85.5 | Confident | 84.9 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -32.2 | -175.6 | -165.9 | 0 | 0 | 0 | 0 | 112.3 | I348 L356 G361 C362 A386 F387 L390 | I348-V359 HydrophobicContact CD1-CG2 4.22Å; I348-V359 HydrophobicContact CG2-CG2 3.87Å; L356-V359 PolarHBondContact O-N 2.83Å; V359-G361 PolarHBondContact O-N 3.47Å; V359-C362 WeakPolarHBondContact O-CB 3.32Å; V359-C362 PolarHBondContact O-N 3.33Å; V359-C362 PolarHBondContact O-SG 3.15Å; V359-C362 VanDerWaalsContact O-SG 3.34Å; V359-A386 CarbonylContact C-O 3.58Å; V359-A386 VanDerWaalsContact CB-O 3.28Å; V359-A386 WeakPolarHBondContact CB-O 3.01Å; V359-A386 WeakPolarHBondContact CG1-O 3.35Å; V359-F387 HydrophobicContact CG1-CD1 3.74Å; V359-F387 HydrophobicContact CG1-CE1 3.89Å; V359-F387 HydrophobicContact CG1-CG 4.08Å; V359-F387 HydrophobicContact CG1-CZ 4.37Å; V359-F387 HydrophobicContact CG2-CE1 4.1Å; V359-F387 HydrophobicContact CG2-CE2 4.2Å; V359-F387 HydrophobicContact CG2-CZ 3.86Å; V359-L390 HydrophobicContact CG1-CD2 4.49Å |
| 360 | R | 82.9 | Confident | 85.3 | Confident | 113 Ų | 113 | 38.6 Ų | 38.6 | 43% | 0.426 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 126.7 | -179.7 | -76.1 | -178.9 | 171.5 | -177.5 | -6 | 112.3 | C362 D385 A386 | R360-C362 PolarHBondContact O-N 3.47Å; R360-D385 IonicContact CZ-OD2 3.68Å; R360-D385 IonicContact NE-OD2 2.7Å; R360-D385 PolarHBondContact NE-OD2 2.86Å; R360-D385 IonicContact NH2-OD1 2.7Å; R360-D385 IonicContact NH2-OD2 2.95Å; R360-D385 PolarHBondContact NH2-OD2 3.34Å; R360-A386 HydrophobicContact CG-CB 4.22Å; R360-A386 PolarHBondContact N-O 3.37Å |
| 361 | G | 74.6 | Confident | 85.4 | Confident | 20 Ų | 20 | 39.3 Ų | 39.3 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 2.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R343 V359 D389 | R343-G361 VanDerWaalsContact CB-O 3.26Å; R343-G361 WeakPolarHBondContact CB-O 3.4Å; R343-G361 PolarHBondContact N-O 3.47Å; V359-G361 PolarHBondContact O-N 3.47Å; G361-D389 WeakPolarHBondContact CA-OD2 3.23Å; G361-D389 PolarHBondContact N-OD2 2.72Å |
| 362 | C | 85.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 121.6 | 171.5 | -62 | 0 | 0 | 0 | 0 | 110.5 | C345 Q358 V359 R360 D389 L390 | C345-C362 HydrophobicContact CB-CB 3.71Å; C345-C362 WeakPolarHBondContact CB-SG 3.44Å; C345-C362 VanDerWaalsContact SG-CA 3.59Å; C345-C362 WeakPolarHBondContact SG-CB 3.03Å; C345-C362 CovalentContact SG-SG 2.02Å; C345-C362 PolarHBondContact SG-SG 3.28Å; Q358-C362 PolarHBondContact O-SG 2.62Å; V359-C362 WeakPolarHBondContact O-CB 3.32Å; V359-C362 PolarHBondContact O-N 3.33Å; V359-C362 PolarHBondContact O-SG 3.15Å; V359-C362 VanDerWaalsContact O-SG 3.34Å; R360-C362 PolarHBondContact O-N 3.47Å; C362-D389 CarbonylContact O-C 3.49Å; C362-L390 HydrophobicContact CB-CD1 4.37Å; C362-L390 WeakPolarHBondContact O-CA 3.38Å; C362-L390 PolarHBondContact O-N 3.24Å |
| 363 | V | 88.4 | Confident | 84.7 | Confident | 15 Ų | 15 | 32 Ų | 32 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -30.3 | 174.8 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | K342 R343 D389 E391 E392 | K342-V363 HydrophobicContact CB-CB 4.05Å; K342-V363 HydrophobicContact CB-CG2 3.66Å; K342-V363 HydrophobicContact CD-CB 4.33Å; K342-V363 HydrophobicContact CD-CG1 4.11Å; K342-V363 HydrophobicContact CD-CG2 3.74Å; K342-V363 HydrophobicContact CG-CB 4.47Å; K342-V363 HydrophobicContact CG-CG2 3.68Å; R343-V363 PolarHBondContact O-N 2.92Å; V363-D389 WeakPolarHBondContact CA-O 3.41Å; V363-D389 HydrophobicContact CG2-CB 4.16Å; V363-E391 HydrophobicContact CG1-CB 4.04Å; V363-E391 HydrophobicContact CG1-CG 4.04Å; V363-E391 PolarHBondContact O-N 3.2Å; V363-E392 PolarHBondContact O-N 2.84Å |
| 364 | T | 89 | Confident | 84.3 | Confident | 24 Ų | 24 | 35.7 Ų | 35.7 | 15% | 0.147 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 145.4 | 165.1 | 76.8 | 0 | 0 | 0 | 0 | 110.7 | R343 A344 C345 E392 H394 R422 | R343-T364 PolarHBondContact O-N 2.8Å; A344-T364 CarbonylContact C-O 3.57Å; A344-T364 WeakPolarHBondContact CA-OG1 3.48Å; C345-T364 WeakPolarHBondContact CA-O 3.3Å; C345-T364 WeakPolarHBondContact CB-O 3.18Å; C345-T364 PolarHBondContact N-O 3.41Å; T364-E392 CarbonylContact C-O 3.43Å; T364-E392 VanDerWaalsContact CA-O 3.24Å; T364-E392 WeakPolarHBondContact CA-O 2.9Å; T364-E392 HydrophobicContact CG2-CB 3.9Å; T364-E392 HydrophobicContact CG2-CG 4.21Å; T364-H394 PolarHBondContact OG1-NE2 3.13Å; T364-R422 PolarHBondContact OG1-NH2 2.99Å |
| 365 | A | 89.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 154.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | I348 I368 L390 E392 I393 H394 | I348-A365 HydrophobicContact CD1-CB 3.91Å; I348-A365 HydrophobicContact CG1-CB 4.5Å; A365-I368 HydrophobicContact CB-CD1 3.92Å; A365-I368 HydrophobicContact CB-CG1 3.87Å; A365-L390 HydrophobicContact CB-CD1 4.02Å; A365-E392 PolarHBondContact N-O 2.83Å; A365-I393 HydrophobicContact CB-CG1 4.45Å; A365-I393 CarbonylContact O-C 3.58Å; A365-I393 WeakPolarHBondContact O-CA 3.5Å; A365-H394 PolarHBondContact O-CD2 2.89Å; A365-H394 VanDerWaalsContact O-CD2 3.24Å; A365-H394 PolarHBondContact O-N 2.98Å |
| 366 | Q | 85.6 | Confident | 83.2 | Confident | 18 Ų | 18 | 38.4 Ų | 38.4 | 8% | 0.084 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | -53 | 175.4 | -177.4 | 64.2 | 21.3 | 0 | 0 | 110.3 | C345 G346 D347 T395 | C345-Q366 PolarHBondContact O-N 2.02Å; G346-Q366 VanDerWaalsContact C-CB 3.41Å; G346-Q366 PolarHBondContact O-N 3.06Å; D347-Q366 VanDerWaalsContact OD1-CG 3.3Å; D347-Q366 WeakPolarHBondContact OD1-CG 3.42Å; Q366-T395 PolarHBondContact O-N 2.69Å; Q366-T395 PolarHBondContact O-OG1 3.02Å |
| 367 | S | 87.9 | Confident | 82.2 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 159.9 | 171.8 | 63.7 | 0 | 0 | 0 | 0 | 109.7 | D347 I348 T395 S396 | D347-S367 CarbonylContact C-O 3.58Å; D347-S367 WeakPolarHBondContact CA-O 2.98Å; D347-S367 VanDerWaalsContact CB-OG 3.3Å; D347-S367 WeakPolarHBondContact CB-OG 3.47Å; D347-S367 PolarHBondContact OD1-OG 3.44Å; I348-S367 PolarHBondContact N-O 2.86Å; S367-T395 WeakPolarHBondContact CB-OG1 3.23Å; S367-S396 CarbonylContact C-O 3.56Å; S367-S396 VanDerWaalsContact CA-O 3.29Å; S367-S396 WeakPolarHBondContact CA-O 3.24Å |
| 368 | I | 92.6 | Very high | 81.5 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 132.8 | 174.6 | -56.4 | -169.6 | 0 | 0 | 0 | 110.3 | I348 A365 I370 F387 L390 I393 S396 L397 H398 | I348-I368 HydrophobicContact CB-CG1 4.27Å; I348-I368 HydrophobicContact CD1-CD1 4.28Å; I348-I368 HydrophobicContact CD1-CG1 4.36Å; I348-I368 CarbonylContact O-C 3.6Å; I348-I368 WeakPolarHBondContact O-CA 3.39Å; A365-I368 HydrophobicContact CB-CD1 3.92Å; A365-I368 HydrophobicContact CB-CG1 3.87Å; I368-I370 HydrophobicContact CG2-CG1 4.04Å; I368-F387 HydrophobicContact CD1-CE1 4.27Å; I368-L390 HydrophobicContact CD1-CD1 4.42Å; I368-L390 HydrophobicContact CD1-CD2 3.38Å; I368-I393 HydrophobicContact CB-CD1 4.4Å; I368-I393 HydrophobicContact CD1-CD1 3.77Å; I368-I393 HydrophobicContact CD1-CG1 4.06Å; I368-I393 HydrophobicContact CG1-CD1 4.02Å; I368-I393 HydrophobicContact CG1-CG1 4.29Å; I368-S396 PolarHBondContact N-O 2.79Å; I368-L397 HydrophobicContact CB-CD1 3.83Å; I368-L397 HydrophobicContact CG2-CD1 3.91Å; I368-L397 CarbonylContact O-C 3.55Å; I368-L397 WeakPolarHBondContact O-CA 3.29Å; I368-H398 PolarHBondContact O-N 3.34Å |
| 369 | L | 90.4 | Very high | 81.1 | Confident | 35 Ų | 35 | 31.9 Ų | 31.9 | 18% | 0.183 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 121.5 | 171.1 | 171.6 | 62 | 0 | 0 | 0 | 109.4 | I348 N349 V350 Y351 H398 I400 | I348-L369 PolarHBondContact O-N 2.95Å; N349-L369 CarbonylContact C-O 3.59Å; N349-L369 WeakPolarHBondContact CA-O 3.44Å; V350-L369 PolarHBondContact N-O 3.47Å; Y351-L369 HydrophobicContact CE1-CD2 4.29Å; L369-H398 CarbonylContact C-O 3.45Å; L369-H398 VanDerWaalsContact CA-O 3.32Å; L369-H398 WeakPolarHBondContact CA-O 3.38Å; L369-H398 HydrophobicContact CD1-CB 3.8Å; L369-I400 HydrophobicContact CD1-CD1 3.79Å; L369-I400 HydrophobicContact CD1-CG1 3.75Å |
| 370 | I | 92 | Very high | 80.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.7 | 171.6 | -51.9 | -179.4 | 0 | 0 | 0 | 108 | V350 I368 I372 F387 H398 I399 I400 S402 L405 F410 | V350-I370 HydrophobicContact CB-CG1 4.46Å; I368-I370 HydrophobicContact CG2-CG1 4.04Å; I370-I372 HydrophobicContact CG2-CG2 4.02Å; I370-F387 HydrophobicContact CD1-CE1 4.4Å; I370-F387 HydrophobicContact CD1-CE2 4.45Å; I370-F387 HydrophobicContact CD1-CZ 3.75Å; I370-H398 PolarHBondContact N-O 3.01Å; I370-I399 HydrophobicContact CB-CG1 4.29Å; I370-I399 HydrophobicContact CB-CG2 4.3Å; I370-I399 HydrophobicContact CD1-CD1 4.48Å; I370-I399 HydrophobicContact CD1-CG1 4.28Å; I370-I399 HydrophobicContact CG1-CG1 4.44Å; I370-I399 CarbonylContact O-C 3.59Å; I370-I399 WeakPolarHBondContact O-CA 3.3Å; I370-I400 PolarHBondContact O-N 3.37Å; I370-S402 PolarHBondContact O-OG 2.82Å; I370-L405 HydrophobicContact CG2-CD1 4.22Å; I370-F410 HydrophobicContact CD1-CE2 3.74Å; I370-F410 HydrophobicContact CD1-CZ 3.9Å |
| 371 | S | 88.4 | Confident | 80.3 | Confident | 15 Ų | 15 | 31.3 Ų | 31.3 | 11% | 0.105 | 19% | 0.186 | C | C | . | . | trans | -147 | 66.9 | 177.3 | -163.6 | 0 | 0 | 0 | 0 | 109.7 | V350 I400 S402 | V350-S371 PolarHBondContact O-N 3.06Å; S371-I400 VanDerWaalsContact CA-O 3.25Å; S371-I400 WeakPolarHBondContact CA-O 3.45Å; S371-I400 WeakPolarHBondContact CB-O 3.32Å; S371-I400 PolarHBondContact OG-O 2.7Å; S371-S402 WeakPolarHBondContact CA-OG 3.41Å | ||
| 372 | I | 79.8 | Confident | 80.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -100.9 | 116.6 | -170.8 | -172.1 | 169.1 | 0 | 0 | 0 | 112.3 | V353 I370 D374 C375 F383 S402 L405 | V353-I372 HydrophobicContact CG2-CD1 3.7Å; I370-I372 HydrophobicContact CG2-CG2 4.02Å; I372-D374 WeakPolarHBondContact CD1-O 3.16Å; I372-D374 VanDerWaalsContact CG1-O 3.31Å; I372-D374 WeakPolarHBondContact CG1-O 3.16Å; I372-C375 HydrophobicContact CD1-CB 4.1Å; I372-F383 HydrophobicContact CD1-CE2 4.05Å; I372-F383 HydrophobicContact CD1-CZ 3.72Å; I372-F383 HydrophobicContact CG2-CZ 4.24Å; I372-S402 PolarHBondContact N-OG 3.4Å; I372-S402 VanDerWaalsContact N-OG 3.08Å; I372-S402 CarbonylContact O-C 3.46Å; I372-S402 WeakPolarHBondContact O-CA 3.28Å; I372-L405 HydrophobicContact CG2-CD1 3.8Å; I372-L405 HydrophobicContact CG2-CD2 3.94Å; I372-L405 HydrophobicContact CG2-CG 3.72Å | ||
| 373 | R | 70.1 | Confident | 80.8 | Confident | 58 Ų | 58 | 34.9 Ų | 34.9 | 22% | 0.219 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -87.7 | -32.6 | -179.3 | -77.1 | -179.2 | 165 | 177.7 | -0.7 | 114.3 | S404 D791 | R373-S404 WeakPolarHBondContact O-CB 3.36Å; R373-S404 PolarHBondContact O-OG 3.08Å; R373-D791 IonicContact CZ-OD1 2.74Å; R373-D791 IonicContact NH1-OD1 3.43Å; R373-D791 PolarHBondContact NH1-OD1 3.25Å; R373-D791 IonicContact NH1-OD2 3.62Å; R373-D791 PolarHBondContact NH1-OD2 3.31Å; R373-D791 VanDerWaalsContact NH1-OD2 3.09Å |
| 374 | D | 71.6 | Confident | 80.6 | Confident | 105 Ų | 105 | 36.8 Ų | 36.8 | 56% | 0.561 | 20% | 0.204 | S | C | * | . | trans | -123.9 | 122 | -175.6 | -61.5 | -59.9 | 0 | 0 | 0 | 109.7 | I372 K564 | I372-D374 WeakPolarHBondContact CD1-O 3.16Å; I372-D374 VanDerWaalsContact CG1-O 3.31Å; I372-D374 WeakPolarHBondContact CG1-O 3.16Å; D374-K564 IonicContact OD1-NZ 3.07Å; D374-K564 PolarHBondContact OD1-NZ 3.5Å | ||
| 375 | C | 70.8 | Confident | 80.3 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | trans | -156 | 136.5 | 175.7 | 178.9 | 0 | 0 | 0 | 0 | 107.5 | V353 I372 D379 C562 | V353-C375 HydrophobicContact CG2-CB 4.42Å; I372-C375 HydrophobicContact CD1-CB 4.1Å; C375-D379 VanDerWaalsContact SG-CB 3.57Å; C375-C562 HydrophobicContact CB-CB 3.56Å; C375-C562 WeakPolarHBondContact CB-SG 3.29Å; C375-C562 WeakPolarHBondContact SG-CB 3.41Å; C375-C562 CovalentContact SG-SG 2.01Å; C375-C562 PolarHBondContact SG-SG 2.67Å | ||
| 376 | E | 71.6 | Confident | 80.2 | Confident | 142 Ų | 142 | 39.2 Ų | 39.2 | 66% | 0.664 | 22% | 0.217 | S | C | * | . | trans | -105.3 | 159.2 | -179.9 | -63.3 | 173.4 | -175 | 0 | 0 | 109.8 | G378 D379 | E376-G378 PolarHBondContact O-N 2.95Å; E376-G378 VanDerWaalsContact O-N 3.1Å; E376-D379 PolarHBondContact N-OD2 2.81Å; E376-D379 VanDerWaalsContact O-CB 3.29Å; E376-D379 WeakPolarHBondContact O-CB 3.45Å; E376-D379 PolarHBondContact O-N 2.8Å | ||
| 377 | D | 64.2 | Low | 80.5 | Confident | 34 Ų | 34 | 38.5 Ų | 38.5 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -52.2 | -39.2 | -178.1 | -61.1 | 32.7 | 0 | 0 | 0 | 112.1 | D379 T380 R547 T560 S565 | D377-D379 PolarHBondContact O-N 3.31Å; D377-T380 WeakPolarHBondContact O-CB 3.25Å; D377-T380 PolarHBondContact O-N 2.79Å; D377-T380 VanDerWaalsContact O-N 3.14Å; D377-T380 PolarHBondContact O-OG1 3.09Å; D377-R547 IonicContact OD2-NH1 2.6Å; D377-R547 PolarHBondContact OD2-NH1 2.86Å; D377-T560 HydrophobicContact CB-CG2 4.14Å; D377-S565 PolarHBondContact OD1-OG 3.04Å; D377-S565 VanDerWaalsContact OD2-CB 3.28Å; D377-S565 WeakPolarHBondContact OD2-CB 3.34Å; D377-S565 PolarHBondContact OD2-OG 3Å |
| 378 | G | 67 | Low | 80.3 | Confident | 53 Ų | 53 | 39.6 Ų | 39.6 | 55% | 0.546 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -70 | -4.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | E376 S381 | E376-G378 PolarHBondContact O-N 2.95Å; E376-G378 VanDerWaalsContact O-N 3.1Å; G378-S381 PolarHBondContact O-OG 3.41Å |
| 379 | D | 76.3 | Confident | 80 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -85.8 | -12.4 | 170.1 | -62.9 | -47.8 | 0 | 0 | 0 | 112.8 | V353 C375 E376 D377 S381 K382 F383 | V353-D379 HydrophobicContact CG1-CB 3.96Å; V353-D379 HydrophobicContact CG2-CB 4.13Å; V353-D379 WeakPolarHBondContact CG2-OD2 3.26Å; C375-D379 VanDerWaalsContact SG-CB 3.57Å; E376-D379 PolarHBondContact N-OD2 2.81Å; E376-D379 VanDerWaalsContact O-CB 3.29Å; E376-D379 WeakPolarHBondContact O-CB 3.45Å; E376-D379 PolarHBondContact O-N 2.8Å; D377-D379 PolarHBondContact O-N 3.31Å; D379-S381 PolarHBondContact O-N 2.92Å; D379-K382 HydrophobicContact CB-CD 4.38Å; D379-K382 WeakPolarHBondContact O-CA 3.44Å; D379-K382 WeakPolarHBondContact O-CB 3.36Å; D379-K382 PolarHBondContact O-N 2.8Å; D379-K382 WeakPolarHBondContact OD1-CD 3.45Å; D379-K382 WeakPolarHBondContact OD1-CE 3.29Å; D379-K382 IonicContact OD1-NZ 2.76Å; D379-K382 PolarHBondContact OD1-NZ 2.74Å; D379-F383 PolarHBondContact O-N 3.41Å; D379-F383 VanDerWaalsContact O-N 3.09Å |
| 380 | T | 75.6 | Confident | 80 | Confident | 24 Ų | 24 | 41.4 Ų | 41.4 | 15% | 0.147 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -50.2 | -43.1 | 178.1 | -63.8 | 0 | 0 | 0 | 0 | 111.9 | D377 K382 F383 M384 I561 | D377-T380 WeakPolarHBondContact O-CB 3.25Å; D377-T380 PolarHBondContact O-N 2.79Å; D377-T380 VanDerWaalsContact O-N 3.14Å; D377-T380 PolarHBondContact O-OG1 3.09Å; T380-K382 PolarHBondContact O-N 2.96Å; T380-F383 PolarHBondContact O-N 3.27Å; T380-M384 WeakPolarHBondContact O-CG 3.45Å; T380-M384 PolarHBondContact O-N 3.24Å; T380-M384 VanDerWaalsContact O-N 3.15Å; T380-I561 HydrophobicContact CG2-CB 4.32Å; T380-I561 HydrophobicContact CG2-CD1 3.87Å; T380-I561 HydrophobicContact CG2-CG1 4Å; T380-I561 PolarHBondContact OG1-N 3.2Å |
| 381 | S | 75 | Confident | 79.9 | Confident | 77 Ų | 77 | 43.7 Ų | 43.7 | 54% | 0.538 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 176.6 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | G378 D379 F383 M384 D385 | G378-S381 PolarHBondContact O-OG 3.41Å; D379-S381 PolarHBondContact O-N 2.92Å; S381-F383 VanDerWaalsContact C-N 3.34Å; S381-F383 PolarHBondContact O-N 2.98Å; S381-M384 PolarHBondContact O-N 3.07Å; S381-D385 WeakPolarHBondContact O-CB 3.35Å; S381-D385 PolarHBondContact O-N 3.41Å |
| 382 | K | 83.9 | Confident | 80.1 | Confident | 96 Ų | 96 | 45.6 Ų | 45.6 | 42% | 0.417 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.3 | -34.7 | -178.9 | -53.2 | 169 | -162.9 | 163.7 | 0 | 111.4 | V353 L356 D379 T380 A386 | V353-K382 HydrophobicContact CG1-CB 4.26Å; V353-K382 HydrophobicContact CG1-CD 3.85Å; L356-K382 HydrophobicContact CD1-CB 4.14Å; D379-K382 HydrophobicContact CB-CD 4.38Å; D379-K382 WeakPolarHBondContact O-CA 3.44Å; D379-K382 WeakPolarHBondContact O-CB 3.36Å; D379-K382 PolarHBondContact O-N 2.8Å; D379-K382 WeakPolarHBondContact OD1-CD 3.45Å; D379-K382 WeakPolarHBondContact OD1-CE 3.29Å; D379-K382 IonicContact OD1-NZ 2.76Å; D379-K382 PolarHBondContact OD1-NZ 2.74Å; T380-K382 PolarHBondContact O-N 2.96Å; K382-A386 WeakPolarHBondContact O-CB 3.38Å; K382-A386 PolarHBondContact O-N 3.46Å |
| 383 | F | 88.1 | Confident | 80.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.1 | -48.1 | 172.2 | -90.2 | -89.7 | 0 | 0 | 0 | 112.4 | V353 L356 I372 D379 T380 S381 D385 A386 F387 L405 F410 I561 | V353-F383 HydrophobicContact CG2-CE2 4.46Å; L356-F383 HydrophobicContact CD1-CD1 4.36Å; L356-F383 HydrophobicContact CD1-CD2 3.84Å; L356-F383 HydrophobicContact CD1-CE1 4.48Å; L356-F383 HydrophobicContact CD1-CE2 3.96Å; L356-F383 HydrophobicContact CD1-CG 4.04Å; L356-F383 HydrophobicContact CD1-CZ 4.27Å; L356-F383 HydrophobicContact CD2-CD1 3.94Å; L356-F383 HydrophobicContact CD2-CE1 3.81Å; L356-F383 HydrophobicContact CD2-CG 4.43Å; L356-F383 HydrophobicContact CD2-CZ 4.18Å; I372-F383 HydrophobicContact CD1-CE2 4.05Å; I372-F383 HydrophobicContact CD1-CZ 3.72Å; I372-F383 HydrophobicContact CG2-CZ 4.24Å; D379-F383 PolarHBondContact O-N 3.41Å; D379-F383 VanDerWaalsContact O-N 3.09Å; T380-F383 PolarHBondContact O-N 3.27Å; S381-F383 VanDerWaalsContact C-N 3.34Å; S381-F383 PolarHBondContact O-N 2.98Å; F383-D385 VanDerWaalsContact C-N 3.33Å; F383-D385 PolarHBondContact O-N 2.95Å; F383-A386 PolarHBondContact O-N 2.83Å; F383-F387 HydrophobicContact CD1-CE2 4.29Å; F383-F387 PolarHBondContact O-N 2.74Å; F383-L405 HydrophobicContact CZ-CD2 4.31Å; F383-F410 HydrophobicContact CB-CB 4.15Å; F383-F410 HydrophobicContact CB-CD1 4.37Å; F383-F410 HydrophobicContact CB-CG 4.24Å; F383-F410 AromaticContact CD1-CD1 3.96Å; F383-F410 HydrophobicContact CD1-CD1 3.96Å; F383-F410 HydrophobicContact CD1-CD2 4.08Å; F383-F410 AromaticContact CD1-CE1 3.93Å; F383-F410 HydrophobicContact CD1-CE1 3.93Å; F383-F410 HydrophobicContact CD1-CE2 4.05Å; F383-F410 HydrophobicContact CD1-CG 4.04Å; F383-F410 AromaticContact CD1-CZ 3.98Å; F383-F410 HydrophobicContact CD1-CZ 3.98Å; F383-F410 HydrophobicContact CE1-CE1 4.33Å; F383-F410 HydrophobicContact CE1-CE2 4.43Å; F383-F410 HydrophobicContact CE1-CZ 4.15Å; F383-F410 HydrophobicContact CG-CD1 4.49Å; F383-I561 HydrophobicContact CB-CD1 3.8Å; F383-I561 HydrophobicContact CB-CG2 4.38Å; F383-I561 HydrophobicContact CD1-CG2 4.47Å; F383-I561 HydrophobicContact CD2-CG2 4.37Å; F383-I561 HydrophobicContact CG-CG2 4.16Å |
| 384 | M | 83.6 | Confident | 81.5 | Confident | 54 Ų | 54 | 43.9 Ų | 43.9 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.1 | -37.7 | -179 | -69.5 | -71 | -77.4 | 0 | 0 | 112.8 | T380 S381 F410 I561 | T380-M384 WeakPolarHBondContact O-CG 3.45Å; T380-M384 PolarHBondContact O-N 3.24Å; T380-M384 VanDerWaalsContact O-N 3.15Å; S381-M384 PolarHBondContact O-N 3.07Å; M384-F410 HydrophobicContact SD-CB 4.03Å; M384-I561 HydrophobicContact CG-CD1 3.82Å; M384-I561 HydrophobicContact SD-CD1 4.03Å |
| 385 | D | 83.2 | Confident | 82.3 | Confident | 74 Ų | 74 | 39.4 Ų | 39.4 | 40% | 0.396 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -72.8 | -40.6 | 174.6 | 154.3 | 105 | 0 | 0 | 0 | 112.4 | R360 S381 F383 F387 S388 | R360-D385 IonicContact CZ-OD2 3.68Å; R360-D385 IonicContact NE-OD2 2.7Å; R360-D385 PolarHBondContact NE-OD2 2.86Å; R360-D385 IonicContact NH2-OD1 2.7Å; R360-D385 IonicContact NH2-OD2 2.95Å; R360-D385 PolarHBondContact NH2-OD2 3.34Å; S381-D385 WeakPolarHBondContact O-CB 3.35Å; S381-D385 PolarHBondContact O-N 3.41Å; F383-D385 VanDerWaalsContact C-N 3.33Å; F383-D385 PolarHBondContact O-N 2.95Å; D385-F387 VanDerWaalsContact C-N 3.33Å; D385-F387 PolarHBondContact O-N 3.36Å; D385-S388 PolarHBondContact O-N 2.74Å; D385-S388 PolarHBondContact O-OG 3.01Å |
| 386 | A | 86.5 | Confident | 83.1 | Confident | 2 Ų | 2 | 39.5 Ų | 39.5 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.7 | -28.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L356 V359 R360 K382 F383 | L356-A386 HydrophobicContact CB-CB 3.7Å; L356-A386 HydrophobicContact CD1-CB 4.44Å; L356-A386 HydrophobicContact CD2-CB 4.18Å; L356-A386 HydrophobicContact CG-CB 4.33Å; V359-A386 CarbonylContact C-O 3.58Å; V359-A386 VanDerWaalsContact CB-O 3.28Å; V359-A386 WeakPolarHBondContact CB-O 3.01Å; V359-A386 WeakPolarHBondContact CG1-O 3.35Å; R360-A386 HydrophobicContact CG-CB 4.22Å; R360-A386 PolarHBondContact N-O 3.37Å; K382-A386 WeakPolarHBondContact O-CB 3.38Å; K382-A386 PolarHBondContact O-N 3.46Å; F383-A386 PolarHBondContact O-N 2.83Å |
| 387 | F | 90.9 | Very high | 84.3 | Confident | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.009 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 7.2 | -178.9 | -75.6 | -92.3 | 0 | 0 | 0 | 113.7 | L356 V359 I368 I370 F383 D385 D389 L390 F410 L411 | L356-F387 HydrophobicContact CD2-CD2 4.35Å; L356-F387 HydrophobicContact CD2-CE2 3.67Å; V359-F387 HydrophobicContact CG1-CD1 3.74Å; V359-F387 HydrophobicContact CG1-CE1 3.89Å; V359-F387 HydrophobicContact CG1-CG 4.08Å; V359-F387 HydrophobicContact CG1-CZ 4.37Å; V359-F387 HydrophobicContact CG2-CE1 4.1Å; V359-F387 HydrophobicContact CG2-CE2 4.2Å; V359-F387 HydrophobicContact CG2-CZ 3.86Å; I368-F387 HydrophobicContact CD1-CE1 4.27Å; I370-F387 HydrophobicContact CD1-CE1 4.4Å; I370-F387 HydrophobicContact CD1-CE2 4.45Å; I370-F387 HydrophobicContact CD1-CZ 3.75Å; F383-F387 HydrophobicContact CD1-CE2 4.29Å; F383-F387 PolarHBondContact O-N 2.74Å; D385-F387 VanDerWaalsContact C-N 3.33Å; D385-F387 PolarHBondContact O-N 3.36Å; F387-D389 VanDerWaalsContact C-N 3.29Å; F387-D389 PolarHBondContact O-N 2.81Å; F387-L390 HydrophobicContact CD1-CD2 3.87Å; F387-L390 HydrophobicContact CE1-CD2 4.2Å; F387-L390 PolarHBondContact O-N 2.8Å; F387-F410 HydrophobicContact CB-CD2 4.2Å; F387-F410 WeakPolarHBondContact CB-O 3.5Å; F387-F410 HydrophobicContact CD1-CD2 4.29Å; F387-F410 AromaticContact CD2-CD2 3.48Å; F387-F410 HydrophobicContact CD2-CD2 3.48Å; F387-F410 VanDerWaalsContact CD2-CD2 3.48Å; F387-F410 AromaticContact CD2-CE2 3.94Å; F387-F410 HydrophobicContact CD2-CE2 3.94Å; F387-F410 HydrophobicContact CD2-CG 4.44Å; F387-F410 HydrophobicContact CE1-CE2 4.39Å; F387-F410 AromaticContact CE2-CD2 3.8Å; F387-F410 HydrophobicContact CE2-CD2 3.8Å; F387-F410 AromaticContact CE2-CE2 3.75Å; F387-F410 HydrophobicContact CE2-CE2 3.75Å; F387-F410 AromaticContact CG-CD2 3.74Å; F387-F410 HydrophobicContact CG-CD2 3.74Å; F387-F410 HydrophobicContact CG-CE2 4.34Å; F387-F410 HydrophobicContact CZ-CD2 4.35Å; F387-F410 HydrophobicContact CZ-CE2 4Å; F387-L411 HydrophobicContact CD1-CD2 3.63Å; F387-L411 HydrophobicContact CE1-CD2 3.81Å; F387-L411 HydrophobicContact CG-CD2 4.31Å |
| 388 | S | 85.7 | Confident | 85.7 | Confident | 44 Ų | 44 | 32.8 Ų | 32.8 | 31% | 0.308 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -40.6 | -174.1 | 59.5 | 0 | 0 | 0 | 0 | 114.1 | D385 S413 | D385-S388 PolarHBondContact O-N 2.74Å; D385-S388 PolarHBondContact O-OG 3.01Å; S388-S413 VanDerWaalsContact O-CB 3.25Å; S388-S413 WeakPolarHBondContact O-CB 3.27Å; S388-S413 PolarHBondContact O-OG 2.79Å |
| 389 | D | 84.9 | Confident | 86.9 | Confident | 70 Ų | 70 | 30.3 Ų | 30.3 | 37% | 0.374 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -7.2 | -167.4 | -46.7 | -29 | 0 | 0 | 0 | 113.3 | G361 C362 V363 F387 E391 | G361-D389 WeakPolarHBondContact CA-OD2 3.23Å; G361-D389 PolarHBondContact N-OD2 2.72Å; C362-D389 CarbonylContact O-C 3.49Å; V363-D389 WeakPolarHBondContact CA-O 3.41Å; V363-D389 HydrophobicContact CG2-CB 4.16Å; F387-D389 VanDerWaalsContact C-N 3.29Å; F387-D389 PolarHBondContact O-N 2.81Å; D389-E391 PolarHBondContact O-N 2.77Å; D389-E391 VanDerWaalsContact O-N 3.13Å |
| 390 | L | 90.7 | Very high | 87.5 | Confident | 3 Ų | 3 | 31.2 Ų | 31.2 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | trans | -78.4 | 100.8 | -168.7 | -176.6 | 75.6 | 0 | 0 | 0 | 111.5 | V359 C362 A365 I368 F387 I393 S413 L414 | V359-L390 HydrophobicContact CG1-CD2 4.49Å; C362-L390 HydrophobicContact CB-CD1 4.37Å; C362-L390 WeakPolarHBondContact O-CA 3.38Å; C362-L390 PolarHBondContact O-N 3.24Å; A365-L390 HydrophobicContact CB-CD1 4.02Å; I368-L390 HydrophobicContact CD1-CD1 4.42Å; I368-L390 HydrophobicContact CD1-CD2 3.38Å; F387-L390 HydrophobicContact CD1-CD2 3.87Å; F387-L390 HydrophobicContact CE1-CD2 4.2Å; F387-L390 PolarHBondContact O-N 2.8Å; L390-I393 HydrophobicContact CD2-CD1 4.4Å; L390-I393 HydrophobicContact CD2-CG1 4.41Å; L390-S413 CarbonylContact O-C 3.56Å; L390-S413 VanDerWaalsContact O-C 3.23Å; L390-L414 WeakPolarHBondContact O-CA 3.31Å; L390-L414 PolarHBondContact O-N 2.82Å | ||
| 391 | E | 91 | Very high | 87.9 | Confident | 49 Ų | 49 | 31.4 Ų | 31.4 | 23% | 0.229 | 17% | 0.169 | C | C | . | . | trans | -91.5 | -33.3 | -179.1 | -65.6 | -174.2 | -111.5 | 0 | 0 | 113.4 | K342 V363 D389 R415 I416 | K342-E391 IonicContact NZ-OE1 3.43Å; K342-E391 PolarHBondContact NZ-OE1 2.88Å; V363-E391 HydrophobicContact CG1-CB 4.04Å; V363-E391 HydrophobicContact CG1-CG 4.04Å; V363-E391 PolarHBondContact O-N 3.2Å; D389-E391 PolarHBondContact O-N 2.77Å; D389-E391 VanDerWaalsContact O-N 3.13Å; E391-R415 PolarHBondContact O-N 3.19Å; E391-R415 IonicContact OE2-CZ 2.8Å; E391-R415 IonicContact OE2-NH1 3.66Å; E391-R415 PolarHBondContact OE2-NH1 2.9Å; E391-I416 PolarHBondContact O-N 2.8Å | ||
| 392 | E | 91.4 | Very high | 88.5 | Confident | 54 Ų | 54 | 27.8 Ų | 27.8 | 25% | 0.252 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 149.4 | -174.1 | -48.2 | -169.9 | 164.3 | 0 | 0 | 115.6 | V363 T364 A365 I416 H418 | V363-E392 PolarHBondContact O-N 2.84Å; T364-E392 CarbonylContact C-O 3.43Å; T364-E392 VanDerWaalsContact CA-O 3.24Å; T364-E392 WeakPolarHBondContact CA-O 2.9Å; T364-E392 HydrophobicContact CG2-CB 3.9Å; T364-E392 HydrophobicContact CG2-CG 4.21Å; A365-E392 PolarHBondContact N-O 2.83Å; E392-I416 CarbonylContact C-O 3.2Å; E392-I416 WeakPolarHBondContact CA-O 3.49Å; E392-I416 HydrophobicContact CB-CB 4.48Å; E392-I416 HydrophobicContact CG-CB 4.16Å; E392-H418 IonicContact OE2-CD2 3.24Å; E392-H418 IonicContact OE2-CE1 2.71Å; E392-H418 PolarHBondContact OE2-CE1 3.45Å; E392-H418 IonicContact OE2-NE2 2.67Å; E392-H418 PolarHBondContact OE2-NE2 3.45Å |
| 393 | I | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.7 | 169.6 | -61.8 | 169.2 | 0 | 0 | 0 | 109.2 | A365 I368 L390 S396 L397 L414 I416 I417 H418 | A365-I393 HydrophobicContact CB-CG1 4.45Å; A365-I393 CarbonylContact O-C 3.58Å; A365-I393 WeakPolarHBondContact O-CA 3.5Å; I368-I393 HydrophobicContact CB-CD1 4.4Å; I368-I393 HydrophobicContact CD1-CD1 3.77Å; I368-I393 HydrophobicContact CD1-CG1 4.06Å; I368-I393 HydrophobicContact CG1-CD1 4.02Å; I368-I393 HydrophobicContact CG1-CG1 4.29Å; L390-I393 HydrophobicContact CD2-CD1 4.4Å; L390-I393 HydrophobicContact CD2-CG1 4.41Å; I393-S396 WeakPolarHBondContact CG2-O 3.24Å; I393-L397 HydrophobicContact CD1-CB 3.93Å; I393-L397 HydrophobicContact CD1-CD1 4.24Å; I393-L397 HydrophobicContact CD1-CD2 4.23Å; I393-L397 HydrophobicContact CD1-CG 4.36Å; I393-L414 HydrophobicContact CD1-CD1 3.81Å; I393-L414 HydrophobicContact CD1-CD2 3.85Å; I393-L414 HydrophobicContact CG1-CD1 3.75Å; I393-I416 PolarHBondContact N-O 3.11Å; I393-I417 HydrophobicContact CB-CG2 4.29Å; I393-I417 HydrophobicContact CG2-CG2 4.36Å; I393-I417 CarbonylContact O-C 3.55Å; I393-I417 VanDerWaalsContact O-CA 3.27Å; I393-I417 WeakPolarHBondContact O-CA 3.36Å; I393-H418 PolarHBondContact O-CD2 2.87Å; I393-H418 PolarHBondContact O-N 2.72Å |
| 394 | H | 88.2 | Confident | 87.8 | Confident | 22 Ų | 22 | 26.5 Ų | 26.5 | 10% | 0.102 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | -59.4 | -176.2 | -66.5 | -67.8 | 0 | 0 | 0 | 113.1 | T364 A365 H418 G419 L420 R422 | T364-H394 PolarHBondContact OG1-NE2 3.13Å; A365-H394 PolarHBondContact O-CD2 2.89Å; A365-H394 VanDerWaalsContact O-CD2 3.24Å; A365-H394 PolarHBondContact O-N 2.98Å; H394-H418 AromaticContact ND1-CD2 3.59Å; H394-H418 AromaticContact ND1-NE2 3.87Å; H394-H418 CarbonylContact O-C 3.48Å; H394-H418 WeakPolarHBondContact O-CA 2.98Å; H394-H418 WeakPolarHBondContact O-CB 3.36Å; H394-H418 PolarHBondContact O-N 3.48Å; H394-G419 PolarHBondContact O-N 2.02Å; H394-L420 CarbonylContact C-O 3.58Å; H394-L420 WeakPolarHBondContact CB-O 3.46Å; H394-L420 PolarHBondContact O-N 3.17Å; H394-R422 HydrophobicContact CB-CG 4.49Å; H394-R422 PolarHBondContact CD2-NE 3.22Å; H394-R422 PolarHBondContact CD2-NH2 3.29Å; H394-R422 PolarHBondContact NE2-NE 2.94Å; H394-R422 PolarHBondContact NE2-NH2 2.88Å |
| 395 | T | 86.6 | Confident | 87.9 | Confident | 11 Ų | 11 | 24 Ų | 24 | 7% | 0.067 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -62.9 | -173.9 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | Q366 S367 G419 L420 K421 P427 V434 | Q366-T395 PolarHBondContact O-N 2.69Å; Q366-T395 PolarHBondContact O-OG1 3.02Å; S367-T395 WeakPolarHBondContact CB-OG1 3.23Å; T395-G419 WeakPolarHBondContact O-CA 3.25Å; T395-L420 VanDerWaalsContact CG2-O 3.32Å; T395-L420 WeakPolarHBondContact CG2-O 3.02Å; T395-L420 PolarHBondContact N-O 2.87Å; T395-K421 HydrophobicContact CG2-CB 4.49Å; T395-K421 HydrophobicContact CG2-CG 3.92Å; T395-P427 HydrophobicContact CG2-CB 4.45Å; T395-P427 HydrophobicContact CG2-CG 4.26Å; T395-V434 WeakPolarHBondContact O-CG1 3.41Å; T395-V434 WeakPolarHBondContact O-CG2 3.41Å |
| 396 | S | 89.5 | Confident | 88 | Confident | 5 Ų | 5 | 21.2 Ų | 21.2 | 4% | 0.035 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 154.4 | -173.9 | 59.8 | 0 | 0 | 0 | 0 | 115.6 | S367 I368 I393 H398 V434 | S367-S396 CarbonylContact C-O 3.56Å; S367-S396 VanDerWaalsContact CA-O 3.29Å; S367-S396 WeakPolarHBondContact CA-O 3.24Å; I368-S396 PolarHBondContact N-O 2.79Å; I393-S396 WeakPolarHBondContact CG2-O 3.24Å; S396-H398 VanDerWaalsContact CB-NE2 3.31Å; S396-H398 WeakPolarHBondContact CB-NE2 3.22Å; S396-H398 PolarHBondContact OG-CD2 2.85Å; S396-H398 PolarHBondContact OG-NE2 2.99Å; S396-V434 CarbonylContact C-O 3.42Å; S396-V434 VanDerWaalsContact CA-O 3.25Å; S396-V434 WeakPolarHBondContact CA-O 3.46Å; S396-V434 WeakPolarHBondContact CB-O 3.4Å |
| 397 | L | 95 | Very high | 88.1 | Confident | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.2 | 172.3 | 173.2 | 59.7 | 0 | 0 | 0 | 109.4 | I368 I393 I399 L411 L414 I417 V434 L435 E436 W447 | I368-L397 HydrophobicContact CB-CD1 3.83Å; I368-L397 HydrophobicContact CG2-CD1 3.91Å; I368-L397 CarbonylContact O-C 3.55Å; I368-L397 WeakPolarHBondContact O-CA 3.29Å; I393-L397 HydrophobicContact CD1-CB 3.93Å; I393-L397 HydrophobicContact CD1-CD1 4.24Å; I393-L397 HydrophobicContact CD1-CD2 4.23Å; I393-L397 HydrophobicContact CD1-CG 4.36Å; L397-I399 HydrophobicContact CD1-CD1 4.23Å; L397-I399 HydrophobicContact CD1-CG1 4.05Å; L397-I399 HydrophobicContact CD2-CD1 4.39Å; L397-I399 HydrophobicContact CG-CD1 4.33Å; L397-I399 HydrophobicContact CG-CG1 4.32Å; L397-L411 HydrophobicContact CD2-CD1 4.03Å; L397-L414 HydrophobicContact CD2-CD2 3.88Å; L397-I417 HydrophobicContact CB-CD1 4.21Å; L397-I417 HydrophobicContact CD2-CD1 4.43Å; L397-V434 PolarHBondContact N-O 3.1Å; L397-L435 HydrophobicContact CB-CD1 4.11Å; L397-L435 HydrophobicContact CD2-CD1 3.82Å; L397-L435 HydrophobicContact CG-CD1 3.96Å; L397-L435 CarbonylContact O-C 3.55Å; L397-L435 WeakPolarHBondContact O-CA 3.07Å; L397-E436 PolarHBondContact O-N 2.67Å; L397-W447 HydrophobicContact CD2-CH2 4.31Å |
| 398 | H | 93.6 | Very high | 88.2 | Confident | 35 Ų | 35 | 21.1 Ų | 21.1 | 16% | 0.162 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 128.6 | 178 | -57.6 | -99.4 | 0 | 0 | 0 | 109.6 | I368 L369 I370 S396 I400 E436 | I368-H398 PolarHBondContact O-N 3.34Å; L369-H398 CarbonylContact C-O 3.45Å; L369-H398 VanDerWaalsContact CA-O 3.32Å; L369-H398 WeakPolarHBondContact CA-O 3.38Å; L369-H398 HydrophobicContact CD1-CB 3.8Å; I370-H398 PolarHBondContact N-O 3.01Å; S396-H398 VanDerWaalsContact CB-NE2 3.31Å; S396-H398 WeakPolarHBondContact CB-NE2 3.22Å; S396-H398 PolarHBondContact OG-CD2 2.85Å; S396-H398 PolarHBondContact OG-NE2 2.99Å; H398-I400 HydrophobicContact CB-CG2 4.49Å; H398-E436 CarbonylContact C-O 3.53Å; H398-E436 WeakPolarHBondContact CA-O 3.41Å; H398-E436 HydrophobicContact CB-CB 4.4Å; H398-E436 IonicContact CE1-OE2 3.99Å; H398-E436 IonicContact CG-OE2 3.48Å; H398-E436 WeakPolarHBondContact ND1-CB 3.34Å; H398-E436 IonicContact ND1-OE2 2.75Å; H398-E436 PolarHBondContact ND1-OE2 3.42Å |
| 399 | I | 93.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 96.5 | 178.2 | -54 | 174 | 0 | 0 | 0 | 106.2 | I370 L397 L405 L408 L411 E436 I437 A438 N440 | I370-I399 HydrophobicContact CB-CG1 4.29Å; I370-I399 HydrophobicContact CB-CG2 4.3Å; I370-I399 HydrophobicContact CD1-CD1 4.48Å; I370-I399 HydrophobicContact CD1-CG1 4.28Å; I370-I399 HydrophobicContact CG1-CG1 4.44Å; I370-I399 CarbonylContact O-C 3.59Å; I370-I399 WeakPolarHBondContact O-CA 3.3Å; L397-I399 HydrophobicContact CD1-CD1 4.23Å; L397-I399 HydrophobicContact CD1-CG1 4.05Å; L397-I399 HydrophobicContact CD2-CD1 4.39Å; L397-I399 HydrophobicContact CG-CD1 4.33Å; L397-I399 HydrophobicContact CG-CG1 4.32Å; I399-L405 HydrophobicContact CG2-CD1 4.44Å; I399-L408 HydrophobicContact CD1-CD1 3.68Å; I399-L408 HydrophobicContact CD1-CD2 4.05Å; I399-L408 HydrophobicContact CD1-CG 4.45Å; I399-L408 HydrophobicContact CG2-CD2 4.08Å; I399-L411 HydrophobicContact CD1-CD1 3.76Å; I399-E436 PolarHBondContact N-O 3.05Å; I399-I437 HydrophobicContact CB-CG1 4.29Å; I399-I437 HydrophobicContact CD1-CG1 4.35Å; I399-I437 WeakPolarHBondContact O-CA 3.37Å; I399-A438 PolarHBondContact O-N 3.09Å; I399-N440 PolarHBondContact O-ND2 2.71Å; I399-N440 PolarHBondContact O-OD1 3.27Å |
| 400 | I | 87.9 | Confident | 88.5 | Confident | 34 Ų | 34 | 17.6 Ų | 17.6 | 17% | 0.174 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 136.5 | -164.5 | 66.3 | 177.7 | 0 | 0 | 0 | 113.1 | L369 I370 S371 H398 S402 E436 A438 W439 | L369-I400 HydrophobicContact CD1-CD1 3.79Å; L369-I400 HydrophobicContact CD1-CG1 3.75Å; I370-I400 PolarHBondContact O-N 3.37Å; S371-I400 VanDerWaalsContact CA-O 3.25Å; S371-I400 WeakPolarHBondContact CA-O 3.45Å; S371-I400 WeakPolarHBondContact CB-O 3.32Å; S371-I400 PolarHBondContact OG-O 2.7Å; H398-I400 HydrophobicContact CB-CG2 4.49Å; I400-S402 PolarHBondContact O-N 3.32Å; I400-S402 VanDerWaalsContact O-N 3.12Å; I400-E436 HydrophobicContact CG2-CG 4.07Å; I400-A438 WeakPolarHBondContact CA-O 3.24Å; I400-A438 HydrophobicContact CG2-CB 4.06Å; I400-W439 HydrophobicContact CB-CE3 4.26Å |
| 401 | S | 85.2 | Confident | 88.5 | Confident | 28 Ų | 28 | 17.6 Ų | 17.6 | 20% | 0.196 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 51.9 | 31.7 | -179.4 | -54.5 | 0 | 0 | 0 | 0 | 114.1 | D403 A438 W439 N440 | S401-D403 VanDerWaalsContact C-N 3.27Å; S401-D403 PolarHBondContact O-N 2.67Å; S401-D403 VanDerWaalsContact O-N 3.14Å; S401-A438 PolarHBondContact N-O 3.05Å; S401-W439 WeakPolarHBondContact CA-O 3.41Å; S401-N440 PolarHBondContact N-OD1 3.15Å |
| 402 | S | 86.2 | Confident | 88.4 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -88.3 | 64.7 | 179 | -60 | 0 | 0 | 0 | 0 | 110.5 | I370 S371 I372 I400 S404 L405 N440 | I370-S402 PolarHBondContact O-OG 2.82Å; S371-S402 WeakPolarHBondContact CA-OG 3.41Å; I372-S402 PolarHBondContact N-OG 3.4Å; I372-S402 VanDerWaalsContact N-OG 3.08Å; I372-S402 CarbonylContact O-C 3.46Å; I372-S402 WeakPolarHBondContact O-CA 3.28Å; I400-S402 PolarHBondContact O-N 3.32Å; I400-S402 VanDerWaalsContact O-N 3.12Å; S402-S404 PolarHBondContact O-N 3.47Å; S402-S404 VanDerWaalsContact O-N 3.09Å; S402-L405 PolarHBondContact O-N 3Å; S402-N440 WeakPolarHBondContact CB-OD1 3.46Å; S402-N440 PolarHBondContact N-OD1 3.23Å | ||
| 403 | D | 77.1 | Confident | 88.2 | Confident | 64 Ų | 64 | 19.3 Ų | 19.3 | 34% | 0.342 | 10% | 0.099 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -11.1 | -166.9 | -72.5 | -51 | 0 | 0 | 0 | 115.6 | S401 S441 Q442 | S401-D403 VanDerWaalsContact C-N 3.27Å; S401-D403 PolarHBondContact O-N 2.67Å; S401-D403 VanDerWaalsContact O-N 3.14Å; D403-S441 WeakPolarHBondContact OD1-CB 3.28Å; D403-S441 PolarHBondContact OD1-N 2.96Å; D403-S441 PolarHBondContact OD1-OG 3.27Å; D403-Q442 WeakPolarHBondContact O-CB 3.11Å; D403-Q442 WeakPolarHBondContact O-CG 3.4Å |
| 404 | S | 80.5 | Confident | 88.2 | Confident | 5 Ų | 5 | 19.4 Ų | 19.4 | 4% | 0.035 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -15 | 169.3 | -75.3 | 0 | 0 | 0 | 0 | 114.2 | R373 S402 C562 D563 K564 | R373-S404 WeakPolarHBondContact O-CB 3.36Å; R373-S404 PolarHBondContact O-OG 3.08Å; S402-S404 PolarHBondContact O-N 3.47Å; S402-S404 VanDerWaalsContact O-N 3.09Å; S404-C562 VanDerWaalsContact O-CA 3.24Å; S404-C562 WeakPolarHBondContact O-CA 3.21Å; S404-D563 PolarHBondContact O-N 2.68Å; S404-D563 VanDerWaalsContact O-N 3.16Å; S404-K564 WeakPolarHBondContact OG-CE 3.34Å |
| 405 | L | 85.9 | Confident | 88.3 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -80 | 126.8 | -176 | -65.7 | -176.5 | 0 | 0 | 0 | 111.8 | I370 I372 F383 I399 S402 L408 Q442 L443 I561 | I370-L405 HydrophobicContact CG2-CD1 4.22Å; I372-L405 HydrophobicContact CG2-CD1 3.8Å; I372-L405 HydrophobicContact CG2-CD2 3.94Å; I372-L405 HydrophobicContact CG2-CG 3.72Å; F383-L405 HydrophobicContact CZ-CD2 4.31Å; I399-L405 HydrophobicContact CG2-CD1 4.44Å; S402-L405 PolarHBondContact O-N 3Å; L405-L408 HydrophobicContact CD1-CD2 4.24Å; L405-Q442 CarbonylContact O-C 3.58Å; L405-L443 VanDerWaalsContact O-CA 3.28Å; L405-L443 WeakPolarHBondContact O-CA 3.06Å; L405-L443 PolarHBondContact O-N 2.85Å; L405-I561 CarbonylContact C-O 3.57Å; L405-I561 WeakPolarHBondContact CA-O 3.17Å; L405-I561 HydrophobicContact CD2-CG2 3.74Å |
| 406 | Q | 85.4 | Confident | 88.5 | Confident | 17 Ų | 17 | 23.5 Ų | 23.5 | 8% | 0.079 | 12% | 0.115 | C | C | . | . | trans | -100.8 | -24.6 | 171 | -67.7 | -150.5 | -11.3 | 0 | 0 | 113.8 | Q442 K444 S445 I561 D563 | Q406-Q442 HydrophobicContact CG-CB 4.16Å; Q406-K444 VanDerWaalsContact CD-NZ 3.26Å; Q406-K444 PolarHBondContact O-N 3.27Å; Q406-S445 PolarHBondContact O-N 3.23Å; Q406-S445 VanDerWaalsContact O-N 3.15Å; Q406-I561 PolarHBondContact N-O 3.32Å; Q406-D563 HydrophobicContact CG-CB 3.67Å; Q406-D563 PolarHBondContact NE2-OD2 3.48Å | ||
| 407 | S | 87.9 | Confident | 88.7 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.014 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | -142.4 | 149 | -178.3 | -164.6 | 0 | 0 | 0 | 0 | 113 | T409 S445 I561 | S407-T409 WeakPolarHBondContact OG-CG2 3.28Å; S407-T409 PolarHBondContact OG-OG1 3.48Å; S407-S445 WeakPolarHBondContact CA-O 3.1Å; S407-S445 WeakPolarHBondContact CB-OG 3.34Å; S407-S445 PolarHBondContact OG-OG 2.84Å; S407-I561 PolarHBondContact N-O 2.91Å |
| 408 | L | 92.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -103.4 | 11.7 | 175.6 | -57.6 | -174.9 | 0 | 0 | 0 | 113.8 | I399 L405 F410 L411 I437 L443 S445 L446 W447 | I399-L408 HydrophobicContact CD1-CD1 3.68Å; I399-L408 HydrophobicContact CD1-CD2 4.05Å; I399-L408 HydrophobicContact CD1-CG 4.45Å; I399-L408 HydrophobicContact CG2-CD2 4.08Å; L405-L408 HydrophobicContact CD1-CD2 4.24Å; L408-F410 HydrophobicContact CD2-CE1 4.07Å; L408-F410 HydrophobicContact CD2-CZ 4.11Å; L408-F410 PolarHBondContact O-N 2.87Å; L408-L411 HydrophobicContact CB-CD1 4.34Å; L408-L411 WeakPolarHBondContact O-CB 3.44Å; L408-L411 PolarHBondContact O-N 3.42Å; L408-I437 HydrophobicContact CD1-CD1 3.71Å; L408-I437 HydrophobicContact CD1-CG1 4.37Å; L408-L443 HydrophobicContact CD1-CD1 4.48Å; L408-L443 HydrophobicContact CD1-CD2 4.35Å; L408-L443 HydrophobicContact CD2-CD1 4.01Å; L408-L443 HydrophobicContact CG-CD1 3.81Å; L408-S445 PolarHBondContact N-O 3.37Å; L408-L446 HydrophobicContact CD1-CD2 3.85Å; L408-W447 HydrophobicContact CB-CE3 3.83Å; L408-W447 HydrophobicContact CB-CZ3 4.4Å; L408-W447 HydrophobicContact CD1-CE3 4.16Å; L408-W447 HydrophobicContact CD1-CZ3 3.94Å; L408-W447 WeakPolarHBondContact O-CB 3.39Å | ||
| 409 | T | 88.3 | Confident | 88 | Confident | 38 Ų | 38 | 23.3 Ų | 23.3 | 23% | 0.233 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -52.8 | -21.1 | -175.4 | 41.4 | 0 | 0 | 0 | 0 | 115.6 | S407 L411 R412 | S407-T409 WeakPolarHBondContact OG-CG2 3.28Å; S407-T409 PolarHBondContact OG-OG1 3.48Å; T409-L411 PolarHBondContact O-N 2.85Å; T409-R412 WeakPolarHBondContact O-CB 3.4Å; T409-R412 PolarHBondContact O-N 3.01Å |
| 410 | F | 88.5 | Confident | 87.3 | Confident | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -61.6 | -21 | 171.3 | 60.1 | -91.2 | 0 | 0 | 0 | 114.2 | I370 F383 M384 F387 L408 R412 I561 | I370-F410 HydrophobicContact CD1-CE2 3.74Å; I370-F410 HydrophobicContact CD1-CZ 3.9Å; F383-F410 HydrophobicContact CB-CB 4.15Å; F383-F410 HydrophobicContact CB-CD1 4.37Å; F383-F410 HydrophobicContact CB-CG 4.24Å; F383-F410 AromaticContact CD1-CD1 3.96Å; F383-F410 HydrophobicContact CD1-CD1 3.96Å; F383-F410 HydrophobicContact CD1-CD2 4.08Å; F383-F410 AromaticContact CD1-CE1 3.93Å; F383-F410 HydrophobicContact CD1-CE1 3.93Å; F383-F410 HydrophobicContact CD1-CE2 4.05Å; F383-F410 HydrophobicContact CD1-CG 4.04Å; F383-F410 AromaticContact CD1-CZ 3.98Å; F383-F410 HydrophobicContact CD1-CZ 3.98Å; F383-F410 HydrophobicContact CE1-CE1 4.33Å; F383-F410 HydrophobicContact CE1-CE2 4.43Å; F383-F410 HydrophobicContact CE1-CZ 4.15Å; F383-F410 HydrophobicContact CG-CD1 4.49Å; M384-F410 HydrophobicContact SD-CB 4.03Å; F387-F410 HydrophobicContact CB-CD2 4.2Å; F387-F410 WeakPolarHBondContact CB-O 3.5Å; F387-F410 HydrophobicContact CD1-CD2 4.29Å; F387-F410 AromaticContact CD2-CD2 3.48Å; F387-F410 HydrophobicContact CD2-CD2 3.48Å; F387-F410 VanDerWaalsContact CD2-CD2 3.48Å; F387-F410 AromaticContact CD2-CE2 3.94Å; F387-F410 HydrophobicContact CD2-CE2 3.94Å; F387-F410 HydrophobicContact CD2-CG 4.44Å; F387-F410 HydrophobicContact CE1-CE2 4.39Å; F387-F410 AromaticContact CE2-CD2 3.8Å; F387-F410 HydrophobicContact CE2-CD2 3.8Å; F387-F410 AromaticContact CE2-CE2 3.75Å; F387-F410 HydrophobicContact CE2-CE2 3.75Å; F387-F410 AromaticContact CG-CD2 3.74Å; F387-F410 HydrophobicContact CG-CD2 3.74Å; F387-F410 HydrophobicContact CG-CE2 4.34Å; F387-F410 HydrophobicContact CZ-CD2 4.35Å; F387-F410 HydrophobicContact CZ-CE2 4Å; L408-F410 HydrophobicContact CD2-CE1 4.07Å; L408-F410 HydrophobicContact CD2-CZ 4.11Å; L408-F410 PolarHBondContact O-N 2.87Å; F410-R412 PolarHBondContact O-N 3.37Å; F410-I561 HydrophobicContact CB-CD1 3.96Å; F410-I561 HydrophobicContact CD1-CD1 3.9Å; F410-I561 HydrophobicContact CD1-CG1 4.26Å; F410-I561 HydrophobicContact CD1-CG2 3.81Å; F410-I561 HydrophobicContact CE1-CG2 3.94Å; F410-I561 HydrophobicContact CG-CD1 4.38Å |
| 411 | L | 92.1 | Very high | 86.5 | Confident | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | G | 310 helix | trans | -81.3 | 8 | 177.5 | -62 | 177.5 | 0 | 0 | 0 | 114.5 | F387 L397 I399 L408 T409 S413 L414 W447 | F387-L411 HydrophobicContact CD1-CD2 3.63Å; F387-L411 HydrophobicContact CE1-CD2 3.81Å; F387-L411 HydrophobicContact CG-CD2 4.31Å; L397-L411 HydrophobicContact CD2-CD1 4.03Å; I399-L411 HydrophobicContact CD1-CD1 3.76Å; L408-L411 HydrophobicContact CB-CD1 4.34Å; L408-L411 WeakPolarHBondContact O-CB 3.44Å; L408-L411 PolarHBondContact O-N 3.42Å; T409-L411 PolarHBondContact O-N 2.85Å; L411-S413 PolarHBondContact O-N 2.67Å; L411-L414 WeakPolarHBondContact O-CB 3.41Å; L411-L414 PolarHBondContact O-N 2.75Å; L411-W447 HydrophobicContact CB-CB 4.46Å; L411-W447 HydrophobicContact CB-CD2 3.79Å; L411-W447 HydrophobicContact CB-CE3 4.25Å; L411-W447 HydrophobicContact CB-CG 3.9Å; L411-W447 HydrophobicContact CB-CZ2 4.45Å; L411-W447 HydrophobicContact CD1-CD2 4.33Å; L411-W447 HydrophobicContact CD1-CE3 3.99Å; L411-W447 HydrophobicContact CD1-CH2 4.06Å; L411-W447 HydrophobicContact CD1-CZ2 4.37Å; L411-W447 HydrophobicContact CD1-CZ3 3.87Å; L411-W447 PolarHBondContact O-NE1 2.78Å |
| 412 | R | 87.6 | Confident | 85.6 | Confident | 111 Ų | 111 | 31.1 Ų | 31.1 | 42% | 0.419 | 14% | 0.142 | S | C | . | . | G | 310 helix | trans | -50.6 | -28 | -177.1 | 68.1 | -177.3 | -177.9 | 171.9 | 0.4 | 115.6 | T409 F410 P449 V450 | T409-R412 WeakPolarHBondContact O-CB 3.4Å; T409-R412 PolarHBondContact O-N 3.01Å; F410-R412 PolarHBondContact O-N 3.37Å; R412-P449 WeakPolarHBondContact O-CA 3.35Å; R412-V450 HydrophobicContact CB-CG2 3.84Å; R412-V450 HydrophobicContact CG-CG2 3.96Å; R412-V450 PolarHBondContact O-N 3.45Å; R412-V450 VanDerWaalsContact O-N 3.08Å |
| 413 | S | 87.8 | Confident | 84.7 | Confident | 28 Ų | 28 | 36.7 Ų | 36.7 | 20% | 0.196 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -82.4 | -12.8 | -179.6 | -58.4 | 0 | 0 | 0 | 0 | 114.1 | S388 L390 L411 R415 | S388-S413 VanDerWaalsContact O-CB 3.25Å; S388-S413 WeakPolarHBondContact O-CB 3.27Å; S388-S413 PolarHBondContact O-OG 2.79Å; L390-S413 CarbonylContact O-C 3.56Å; L390-S413 VanDerWaalsContact O-C 3.23Å; L411-S413 PolarHBondContact O-N 2.67Å; S413-R415 WeakPolarHBondContact O-CG 3.42Å; S413-R415 PolarHBondContact O-N 2.69Å |
| 414 | L | 92.6 | Very high | 84 | Confident | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | trans | -74.8 | 120.3 | -175.5 | -177.1 | 65.8 | 0 | 0 | 0 | 111.4 | L390 I393 L397 L411 I417 W447 L454 | L390-L414 WeakPolarHBondContact O-CA 3.31Å; L390-L414 PolarHBondContact O-N 2.82Å; I393-L414 HydrophobicContact CD1-CD1 3.81Å; I393-L414 HydrophobicContact CD1-CD2 3.85Å; I393-L414 HydrophobicContact CG1-CD1 3.75Å; L397-L414 HydrophobicContact CD2-CD2 3.88Å; L411-L414 WeakPolarHBondContact O-CB 3.41Å; L411-L414 PolarHBondContact O-N 2.75Å; L414-I417 HydrophobicContact CD2-CD1 4.23Å; L414-I417 HydrophobicContact CD2-CG1 4.29Å; L414-W447 HydrophobicContact CD2-CZ2 4.27Å; L414-L454 HydrophobicContact CB-CD1 4.45Å; L414-L454 HydrophobicContact CD2-CD1 4.07Å; L414-L454 HydrophobicContact CG-CD1 3.77Å; L414-L454 WeakPolarHBondContact O-CD1 3.14Å | ||
| 415 | R | 90.5 | Very high | 83.1 | Confident | 93 Ų | 93 | 37.6 Ų | 37.6 | 35% | 0.351 | 19% | 0.191 | S | C | . | . | trans | -111.1 | -34.5 | -173.1 | -64 | 168.9 | 69.1 | -152.3 | -2 | 113.6 | E391 S413 T452 L454 I455 | E391-R415 PolarHBondContact O-N 3.19Å; E391-R415 IonicContact OE2-CZ 2.8Å; E391-R415 IonicContact OE2-NH1 3.66Å; E391-R415 PolarHBondContact OE2-NH1 2.9Å; S413-R415 WeakPolarHBondContact O-CG 3.42Å; S413-R415 PolarHBondContact O-N 2.69Å; R415-T452 PolarHBondContact NE-OG1 2.75Å; R415-L454 WeakPolarHBondContact O-CA 3.46Å; R415-I455 PolarHBondContact O-N 3.49Å | ||
| 416 | I | 91.3 | Very high | 81.8 | Confident | 27 Ų | 27 | 41.2 Ų | 41.2 | 14% | 0.138 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 134.1 | -175.7 | -51.9 | -174 | 0 | 0 | 0 | 111.9 | E391 E392 I393 I455 K457 | E391-I416 PolarHBondContact O-N 2.8Å; E392-I416 CarbonylContact C-O 3.2Å; E392-I416 WeakPolarHBondContact CA-O 3.49Å; E392-I416 HydrophobicContact CB-CB 4.48Å; E392-I416 HydrophobicContact CG-CB 4.16Å; I393-I416 PolarHBondContact N-O 3.11Å; I416-I455 WeakPolarHBondContact CA-O 3.32Å; I416-I455 HydrophobicContact CG1-CB 4.36Å; I416-K457 HydrophobicContact CG2-CD 4.43Å; I416-K457 HydrophobicContact CG2-CG 4.5Å |
| 417 | I | 92.4 | Very high | 80.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 114 | 160.7 | -45.1 | -179.5 | 0 | 0 | 0 | 108.4 | I393 L397 L414 V434 L454 I455 I456 K457 | I393-I417 HydrophobicContact CB-CG2 4.29Å; I393-I417 HydrophobicContact CG2-CG2 4.36Å; I393-I417 CarbonylContact O-C 3.55Å; I393-I417 VanDerWaalsContact O-CA 3.27Å; I393-I417 WeakPolarHBondContact O-CA 3.36Å; L397-I417 HydrophobicContact CB-CD1 4.21Å; L397-I417 HydrophobicContact CD2-CD1 4.43Å; L414-I417 HydrophobicContact CD2-CD1 4.23Å; L414-I417 HydrophobicContact CD2-CG1 4.29Å; I417-V434 HydrophobicContact CB-CG1 4.31Å; I417-V434 HydrophobicContact CG2-CG1 3.43Å; I417-V434 VanDerWaalsContact CG2-CG1 3.43Å; I417-L454 HydrophobicContact CD1-CD2 4.45Å; I417-L454 HydrophobicContact CG1-CD1 4.23Å; I417-I455 PolarHBondContact N-O 2.73Å; I417-I456 HydrophobicContact CB-CG1 4.35Å; I417-I456 HydrophobicContact CD1-CD1 4.42Å; I417-I456 HydrophobicContact CD1-CG1 4.39Å; I417-I456 HydrophobicContact CG1-CG1 4.49Å; I417-I456 WeakPolarHBondContact O-CA 3.4Å; I417-K457 PolarHBondContact O-N 2.56Å |
| 418 | H | 89 | Confident | 78.4 | Confident | 30 Ų | 30 | 48.5 Ų | 48.5 | 14% | 0.139 | 25% | 0.253 | C | S | . | . | trans | -79.7 | -20.8 | -170.6 | -59.6 | -104.4 | 0 | 0 | 0 | 114 | E392 I393 H394 L420 K457 H458 | E392-H418 IonicContact OE2-CD2 3.24Å; E392-H418 IonicContact OE2-CE1 2.71Å; E392-H418 PolarHBondContact OE2-CE1 3.45Å; E392-H418 IonicContact OE2-NE2 2.67Å; E392-H418 PolarHBondContact OE2-NE2 3.45Å; I393-H418 PolarHBondContact O-CD2 2.87Å; I393-H418 PolarHBondContact O-N 2.72Å; H394-H418 AromaticContact ND1-CD2 3.59Å; H394-H418 AromaticContact ND1-NE2 3.87Å; H394-H418 CarbonylContact O-C 3.48Å; H394-H418 WeakPolarHBondContact O-CA 2.98Å; H394-H418 WeakPolarHBondContact O-CB 3.36Å; H394-H418 PolarHBondContact O-N 3.48Å; H418-L420 PolarHBondContact O-N 2.94Å; H418-K457 HydrophobicContact CB-CD 4.37Å; H418-K457 PolarHBondContact CE1-NZ 3.49Å; H418-K457 VanDerWaalsContact CE1-NZ 3.3Å; H418-K457 PolarHBondContact ND1-NZ 2.9Å; H418-H458 PolarHBondContact O-ND1 2.94Å | ||
| 419 | G | 84.3 | Confident | 76.2 | Confident | 5 Ų | 5 | 50 Ų | 50 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | S | Bend | trans | 67.1 | 9.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | H394 T395 | H394-G419 PolarHBondContact O-N 2.02Å; T395-G419 WeakPolarHBondContact O-CA 3.25Å |
| 420 | L | 81.1 | Confident | 74.1 | Confident | 34 Ų | 34 | 54 Ų | 54 | 18% | 0.178 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -136.9 | 160.7 | -172 | -63.8 | 178.3 | 0 | 0 | 0 | 110.8 | H394 T395 H418 V426 H458 | H394-L420 CarbonylContact C-O 3.58Å; H394-L420 WeakPolarHBondContact CB-O 3.46Å; H394-L420 PolarHBondContact O-N 3.17Å; T395-L420 VanDerWaalsContact CG2-O 3.32Å; T395-L420 WeakPolarHBondContact CG2-O 3.02Å; T395-L420 PolarHBondContact N-O 2.87Å; H418-L420 PolarHBondContact O-N 2.94Å; L420-V426 HydrophobicContact CD2-CB 4.24Å; L420-V426 HydrophobicContact CD2-CG2 3.74Å; L420-H458 VanDerWaalsContact CD1-CE1 3.45Å; L420-H458 WeakPolarHBondContact CD1-CE1 3.22Å |
| 421 | K | 69.2 | Low | 72.5 | Confident | 78 Ų | 78 | 58.3 Ų | 58.3 | 34% | 0.339 | 32% | 0.321 | S | S | . | . | trans | -73.7 | 163.8 | 167.8 | -67.7 | -167.7 | -158.7 | 163 | 0 | 111.1 | T395 D423 G424 S425 P427 | T395-K421 HydrophobicContact CG2-CB 4.49Å; T395-K421 HydrophobicContact CG2-CG 3.92Å; K421-D423 WeakPolarHBondContact CB-OD1 3.31Å; K421-D423 PolarHBondContact O-N 3.08Å; K421-G424 PolarHBondContact O-N 3.25Å; K421-S425 WeakPolarHBondContact CD-OG 3.25Å; K421-S425 PolarHBondContact N-O 2.86Å; K421-P427 HydrophobicContact CG-CB 4.4Å | ||
| 422 | R | 67.7 | Low | 71.3 | Confident | 115 Ų | 115 | 62.8 Ų | 62.8 | 43% | 0.434 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -21.8 | 177.5 | -75.6 | -176.4 | 176.9 | 141.4 | 14.1 | 114.5 | A344 C345 T364 H394 G424 | A344-R422 PolarHBondContact O-NH1 2.86Å; A344-R422 PolarHBondContact O-NH2 3.26Å; C345-R422 PolarHBondContact O-NH1 3.49Å; C345-R422 PolarHBondContact O-NH2 3.16Å; T364-R422 PolarHBondContact OG1-NH2 2.99Å; H394-R422 HydrophobicContact CB-CG 4.49Å; H394-R422 PolarHBondContact CD2-NE 3.22Å; H394-R422 PolarHBondContact CD2-NH2 3.29Å; H394-R422 PolarHBondContact NE2-NE 2.94Å; H394-R422 PolarHBondContact NE2-NH2 2.88Å; R422-G424 VanDerWaalsContact C-N 3.25Å |
| 423 | D | 67.4 | Low | 71.1 | Confident | 116 Ų | 116 | 58.6 Ų | 58.6 | 62% | 0.62 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 4.6 | 173.8 | 58.4 | 14.1 | 0 | 0 | 0 | 113.3 | K421 S425 | K421-D423 WeakPolarHBondContact CB-OD1 3.31Å; K421-D423 PolarHBondContact O-N 3.08Å; D423-S425 VanDerWaalsContact CG-OG 3.29Å; D423-S425 PolarHBondContact O-N 2.78Å; D423-S425 WeakPolarHBondContact OD1-CB 3.38Å; D423-S425 PolarHBondContact OD1-N 3.37Å; D423-S425 PolarHBondContact OD1-OG 2.91Å; D423-S425 PolarHBondContact OD2-OG 3.34Å |
| 424 | G | 62.7 | Low | 71.1 | Confident | 47 Ų | 47 | 57.4 Ų | 57.4 | 49% | 0.485 | 32% | 0.319 | S | S | . | . | S | Bend | trans | 77.2 | -4.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K421 R422 | K421-G424 PolarHBondContact O-N 3.25Å; R422-G424 VanDerWaalsContact C-N 3.25Å |
| 425 | S | 61.4 | Low | 71.2 | Confident | 42 Ų | 42 | 57.4 Ų | 57.4 | 29% | 0.294 | 32% | 0.319 | S | S | . | . | trans | -70.7 | 135.4 | -179.4 | 70.4 | 0 | 0 | 0 | 0 | 111.8 | K421 D423 P427 | K421-S425 WeakPolarHBondContact CD-OG 3.25Å; K421-S425 PolarHBondContact N-O 2.86Å; D423-S425 VanDerWaalsContact CG-OG 3.29Å; D423-S425 PolarHBondContact O-N 2.78Å; D423-S425 WeakPolarHBondContact OD1-CB 3.38Å; D423-S425 PolarHBondContact OD1-N 3.37Å; D423-S425 PolarHBondContact OD1-OG 2.91Å; D423-S425 PolarHBondContact OD2-OG 3.34Å; S425-P427 WeakPolarHBondContact O-CD 3.25Å | ||
| 426 | V | 58.1 | Low | 71.3 | Confident | 77 Ų | 77 | 55.1 Ų | 55.1 | 47% | 0.467 | 31% | 0.312 | S | S | . | . | trans | -66.2 | 125.5 | 169.2 | -176.2 | 0 | 0 | 0 | 0 | 107.8 | L420 N428 G429 | L420-V426 HydrophobicContact CD2-CB 4.24Å; L420-V426 HydrophobicContact CD2-CG2 3.74Å; V426-N428 VanDerWaalsContact C-N 3.25Å; V426-N428 PolarHBondContact O-N 3.48Å; V426-G429 WeakPolarHBondContact CG1-O 3.16Å | ||
| 427 | P | 54.8 | Low | 71.5 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -73.3 | 75.7 | -177.5 | 29.7 | -36 | 0 | 0 | 0 | 112.4 | T395 K421 S425 K432 | T395-P427 HydrophobicContact CG2-CB 4.45Å; T395-P427 HydrophobicContact CG2-CG 4.26Å; K421-P427 HydrophobicContact CG-CB 4.4Å; S425-P427 WeakPolarHBondContact O-CD 3.25Å; P427-K432 HydrophobicContact CB-CD 4.48Å; P427-K432 HydrophobicContact CG-CD 4.2Å |
| 428 | N | 47.8 | Very low | 71.3 | Confident | 155 Ų | 155 | 53.8 Ų | 53.8 | 83% | 0.829 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 53 | 76.5 | 179.8 | -70.4 | 14.5 | 0 | 0 | 0 | 114.6 | V426 | V426-N428 VanDerWaalsContact C-N 3.25Å; V426-N428 PolarHBondContact O-N 3.48Å |
| 429 | G | 46.1 | Very low | 71.3 | Confident | 30 Ų | 30 | 58.3 Ų | 58.3 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 108.8 | 142.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V426 T431 | V426-G429 WeakPolarHBondContact CG1-O 3.16Å; G429-T431 PolarHBondContact O-N 3.15Å; G429-T431 VanDerWaalsContact O-N 3.1Å |
| 430 | P | 44.1 | Very low | 71.5 | Confident | 122 Ų | 122 | 58.1 Ų | 58.1 | 79% | 0.792 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | 1.6 | -174 | 30.8 | -36.3 | 0 | 0 | 0 | 114.5 | ||
| 431 | T | 54 | Low | 71.4 | Confident | 93 Ų | 93 | 58.3 Ų | 58.3 | 57% | 0.571 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 9.1 | -171.4 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | G429 R460 | G429-T431 PolarHBondContact O-N 3.15Å; G429-T431 VanDerWaalsContact O-N 3.1Å; T431-R460 VanDerWaalsContact O-CZ 3.26Å; T431-R460 PolarHBondContact O-NE 3.2Å; T431-R460 PolarHBondContact O-NH2 2.89Å |
| 432 | K | 68.2 | Low | 72.1 | Confident | 97 Ų | 97 | 58.1 Ų | 58.1 | 42% | 0.422 | 32% | 0.324 | S | S | . | . | trans | -70.2 | 141.9 | -176.3 | -160.3 | 176.6 | -179 | -176.1 | 0 | 112.6 | P427 R460 | P427-K432 HydrophobicContact CB-CD 4.48Å; P427-K432 HydrophobicContact CG-CD 4.2Å; K432-R460 PolarHBondContact O-N 3.15Å | ||
| 433 | T | 82.3 | Confident | 73.1 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 14% | 0.141 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 133.5 | 170.3 | -48.6 | 0 | 0 | 0 | 0 | 110.3 | L435 E436 V462 | T433-L435 VanDerWaalsContact CG2-O 3.29Å; T433-L435 WeakPolarHBondContact CG2-O 3.36Å; T433-E436 HydrophobicContact CG2-CB 3.8Å; T433-E436 HydrophobicContact CG2-CG 4.41Å; T433-V462 HydrophobicContact CG2-CB 3.93Å; T433-V462 HydrophobicContact CG2-CG2 3.69Å |
| 434 | V | 89 | Confident | 74 | Confident | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.024 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | -29.5 | -174.6 | 165.1 | 0 | 0 | 0 | 0 | 111.8 | T395 S396 L397 I417 I456 H458 R460 | T395-V434 WeakPolarHBondContact O-CG1 3.41Å; T395-V434 WeakPolarHBondContact O-CG2 3.41Å; S396-V434 CarbonylContact C-O 3.42Å; S396-V434 VanDerWaalsContact CA-O 3.25Å; S396-V434 WeakPolarHBondContact CA-O 3.46Å; S396-V434 WeakPolarHBondContact CB-O 3.4Å; L397-V434 PolarHBondContact N-O 3.1Å; I417-V434 HydrophobicContact CB-CG1 4.31Å; I417-V434 HydrophobicContact CG2-CG1 3.43Å; I417-V434 VanDerWaalsContact CG2-CG1 3.43Å; V434-I456 HydrophobicContact CG1-CG2 4.15Å; V434-H458 WeakPolarHBondContact CG1-O 3.25Å; V434-H458 WeakPolarHBondContact CG2-O 3.07Å; V434-R460 PolarHBondContact N-O 3.46Å |
| 435 | L | 93.5 | Very high | 75.2 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 121.5 | 161.8 | 179.4 | 61.7 | 0 | 0 | 0 | 108.8 | L397 T433 I437 W447 I456 R460 V461 V462 F463 | L397-L435 HydrophobicContact CB-CD1 4.11Å; L397-L435 HydrophobicContact CD2-CD1 3.82Å; L397-L435 HydrophobicContact CG-CD1 3.96Å; L397-L435 CarbonylContact O-C 3.55Å; L397-L435 WeakPolarHBondContact O-CA 3.07Å; T433-L435 VanDerWaalsContact CG2-O 3.29Å; T433-L435 WeakPolarHBondContact CG2-O 3.36Å; L435-I437 HydrophobicContact CD1-CD1 4.13Å; L435-I437 HydrophobicContact CD1-CG1 4.26Å; L435-I437 HydrophobicContact CG-CD1 4.45Å; L435-W447 HydrophobicContact CD1-CH2 4.38Å; L435-I456 HydrophobicContact CB-CD1 4.28Å; L435-I456 HydrophobicContact CD2-CD1 4.06Å; L435-R460 PolarHBondContact N-O 3.01Å; L435-V461 HydrophobicContact CB-CB 4.41Å; L435-V461 HydrophobicContact CB-CG1 4.09Å; L435-V461 CarbonylContact O-C 3.58Å; L435-V461 WeakPolarHBondContact O-CA 3.09Å; L435-V462 PolarHBondContact O-N 2.94Å; L435-F463 HydrophobicContact CD2-CE2 4.17Å; L435-F463 HydrophobicContact CD2-CZ 3.95Å |
| 436 | E | 93.4 | Very high | 76.6 | Confident | 44 Ų | 44 | 49 Ų | 49 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.2 | 175.7 | -171.2 | 167.6 | -145.7 | 0 | 0 | 110.1 | L397 H398 I399 I400 T433 A438 V462 | L397-E436 PolarHBondContact O-N 2.67Å; H398-E436 CarbonylContact C-O 3.53Å; H398-E436 WeakPolarHBondContact CA-O 3.41Å; H398-E436 HydrophobicContact CB-CB 4.4Å; H398-E436 IonicContact CE1-OE2 3.99Å; H398-E436 IonicContact CG-OE2 3.48Å; H398-E436 WeakPolarHBondContact ND1-CB 3.34Å; H398-E436 IonicContact ND1-OE2 2.75Å; H398-E436 PolarHBondContact ND1-OE2 3.42Å; I399-E436 PolarHBondContact N-O 3.05Å; I400-E436 HydrophobicContact CG2-CG 4.07Å; T433-E436 HydrophobicContact CG2-CB 3.8Å; T433-E436 HydrophobicContact CG2-CG 4.41Å; E436-A438 HydrophobicContact CG-CB 4.08Å; E436-V462 WeakPolarHBondContact CA-O 3.28Å; E436-V462 HydrophobicContact CG-CB 4.46Å |
| 437 | I | 94.7 | Very high | 78.2 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 99 | 174.3 | -66.5 | 172.4 | 0 | 0 | 0 | 105.6 | I399 L408 L435 L443 L446 W447 V462 F463 T464 N466 | I399-I437 HydrophobicContact CB-CG1 4.29Å; I399-I437 HydrophobicContact CD1-CG1 4.35Å; I399-I437 WeakPolarHBondContact O-CA 3.37Å; L408-I437 HydrophobicContact CD1-CD1 3.71Å; L408-I437 HydrophobicContact CD1-CG1 4.37Å; L435-I437 HydrophobicContact CD1-CD1 4.13Å; L435-I437 HydrophobicContact CD1-CG1 4.26Å; L435-I437 HydrophobicContact CG-CD1 4.45Å; I437-L443 HydrophobicContact CG2-CD2 3.54Å; I437-L446 HydrophobicContact CD1-CD2 4.03Å; I437-W447 HydrophobicContact CD1-CZ3 4.08Å; I437-V462 PolarHBondContact N-O 3.46Å; I437-F463 HydrophobicContact CB-CD1 3.92Å; I437-F463 HydrophobicContact CB-CE1 4.12Å; I437-F463 HydrophobicContact CD1-CD1 4.25Å; I437-F463 HydrophobicContact CD1-CE1 3.54Å; I437-F463 HydrophobicContact CD1-CZ 4.01Å; I437-F463 HydrophobicContact CG1-CE1 4.3Å; I437-F463 HydrophobicContact CG2-CD1 4.23Å; I437-F463 WeakPolarHBondContact O-CA 3.45Å; I437-T464 PolarHBondContact O-N 3.23Å; I437-T464 VanDerWaalsContact O-N 3.13Å; I437-N466 PolarHBondContact O-ND2 3.04Å |
| 438 | A | 89.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 141.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | I399 I400 S401 E436 N440 T464 | I399-A438 PolarHBondContact O-N 3.09Å; I400-A438 WeakPolarHBondContact CA-O 3.24Å; I400-A438 HydrophobicContact CG2-CB 4.06Å; S401-A438 PolarHBondContact N-O 3.05Å; E436-A438 HydrophobicContact CG-CB 4.08Å; A438-N440 PolarHBondContact N-ND2 2.86Å; A438-N440 PolarHBondContact O-N 3.16Å; A438-N440 VanDerWaalsContact O-N 3.17Å; A438-N440 PolarHBondContact O-ND2 2.73Å; A438-T464 CarbonylContact C-O 3.57Å; A438-T464 VanDerWaalsContact CA-O 3.24Å; A438-T464 WeakPolarHBondContact CA-O 3.25Å; A438-T464 HydrophobicContact CB-CG2 3.79Å |
| 439 | W | 87.7 | Confident | 81.2 | Confident | 125 Ų | 125 | 43.9 Ų | 43.9 | 47% | 0.473 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 57 | 25.1 | 177.1 | -45.9 | -56.6 | 0 | 0 | 0 | 115.3 | I400 S401 S441 T464 L465 | I400-W439 HydrophobicContact CB-CE3 4.26Å; S401-W439 WeakPolarHBondContact CA-O 3.41Å; W439-S441 PolarHBondContact O-N 2.85Å; W439-T464 PolarHBondContact N-O 3.24Å; W439-L465 VanDerWaalsContact NE1-CD1 3.34Å |
| 440 | N | 88.2 | Confident | 82.5 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | trans | -89.3 | 94.8 | 175.7 | -49.5 | -71.9 | 0 | 0 | 0 | 108 | I399 S401 S402 A438 Q442 L443 N466 | I399-N440 PolarHBondContact O-ND2 2.71Å; I399-N440 PolarHBondContact O-OD1 3.27Å; S401-N440 PolarHBondContact N-OD1 3.15Å; S402-N440 WeakPolarHBondContact CB-OD1 3.46Å; S402-N440 PolarHBondContact N-OD1 3.23Å; A438-N440 PolarHBondContact N-ND2 2.86Å; A438-N440 PolarHBondContact O-N 3.16Å; A438-N440 VanDerWaalsContact O-N 3.17Å; A438-N440 PolarHBondContact O-ND2 2.73Å; N440-Q442 PolarHBondContact O-N 3.43Å; N440-L443 HydrophobicContact CB-CB 3.73Å; N440-L443 HydrophobicContact CB-CD2 4.14Å; N440-L443 PolarHBondContact O-N 3.19Å; N440-N466 WeakPolarHBondContact CB-OD1 3.03Å; N440-N466 PolarHBondContact N-OD1 3.43Å; N440-N466 PolarHBondContact ND2-OD1 2.81Å | ||
| 441 | S | 80.6 | Confident | 83.3 | Confident | 38 Ų | 38 | 45.9 Ų | 45.9 | 27% | 0.266 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -39.7 | -167.8 | 58.2 | 0 | 0 | 0 | 0 | 113.8 | D403 W439 | D403-S441 WeakPolarHBondContact OD1-CB 3.28Å; D403-S441 PolarHBondContact OD1-N 2.96Å; D403-S441 PolarHBondContact OD1-OG 3.27Å; W439-S441 PolarHBondContact O-N 2.85Å |
| 442 | Q | 83.6 | Confident | 84.1 | Confident | 74 Ų | 74 | 44.2 Ų | 44.2 | 35% | 0.346 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -8.8 | -178.2 | -68.8 | -65.6 | -2.3 | 0 | 0 | 115.1 | D403 L405 Q406 N440 K444 N468 | D403-Q442 WeakPolarHBondContact O-CB 3.11Å; D403-Q442 WeakPolarHBondContact O-CG 3.4Å; L405-Q442 CarbonylContact O-C 3.58Å; Q406-Q442 HydrophobicContact CG-CB 4.16Å; N440-Q442 PolarHBondContact O-N 3.43Å; Q442-K444 PolarHBondContact O-N 3.23Å; Q442-N468 WeakPolarHBondContact CA-ND2 3.05Å; Q442-N468 PolarHBondContact O-ND2 3.44Å; Q442-N468 PolarHBondContact OE1-ND2 2.91Å |
| 443 | L | 89.2 | Confident | 84.8 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | trans | -63.9 | 118.9 | -172.1 | -178 | 67.5 | 0 | 0 | 0 | 111.6 | L405 L408 I437 N440 N468 L469 | L405-L443 VanDerWaalsContact O-CA 3.28Å; L405-L443 WeakPolarHBondContact O-CA 3.06Å; L405-L443 PolarHBondContact O-N 2.85Å; L408-L443 HydrophobicContact CD1-CD1 4.48Å; L408-L443 HydrophobicContact CD1-CD2 4.35Å; L408-L443 HydrophobicContact CD2-CD1 4.01Å; L408-L443 HydrophobicContact CG-CD1 3.81Å; I437-L443 HydrophobicContact CG2-CD2 3.54Å; N440-L443 HydrophobicContact CB-CB 3.73Å; N440-L443 HydrophobicContact CB-CD2 4.14Å; N440-L443 PolarHBondContact O-N 3.19Å; L443-N468 CarbonylContact O-C 3.54Å; L443-N468 WeakPolarHBondContact O-CB 3.47Å; L443-L469 HydrophobicContact CD2-CD2 3.96Å; L443-L469 HydrophobicContact CG-CD2 4.46Å; L443-L469 WeakPolarHBondContact O-CA 3.49Å; L443-L469 VanDerWaalsContact O-CB 3.31Å; L443-L469 WeakPolarHBondContact O-CB 3.44Å; L443-L469 PolarHBondContact O-N 2.98Å | ||
| 444 | K | 85.7 | Confident | 85.2 | Confident | 74 Ų | 74 | 42 Ų | 42 | 32% | 0.322 | 23% | 0.226 | S | C | . | . | trans | -105.9 | -37.2 | -178.9 | -68.8 | 167.5 | -172.8 | 169.7 | 0 | 112.6 | Q406 Q442 N468 L469 | Q406-K444 VanDerWaalsContact CD-NZ 3.26Å; Q406-K444 PolarHBondContact O-N 3.27Å; Q442-K444 PolarHBondContact O-N 3.23Å; K444-N468 HydrophobicContact CG-CB 3.96Å; K444-L469 WeakPolarHBondContact O-CD1 3.24Å | ||
| 445 | S | 87.4 | Confident | 85.4 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 21% | 0.21 | 24% | 0.239 | C | C | . | . | B | Isolated β-bridge | trans | -135.9 | 147.3 | -173 | 63.4 | 0 | 0 | 0 | 0 | 115.4 | Q406 S407 L408 | Q406-S445 PolarHBondContact O-N 3.23Å; Q406-S445 VanDerWaalsContact O-N 3.15Å; S407-S445 WeakPolarHBondContact CA-O 3.1Å; S407-S445 WeakPolarHBondContact CB-OG 3.34Å; S407-S445 PolarHBondContact OG-OG 2.84Å; L408-S445 PolarHBondContact N-O 3.37Å |
| 446 | L | 91.9 | Very high | 85.2 | Confident | 23 Ų | 23 | 44.8 Ų | 44.8 | 12% | 0.12 | 24% | 0.239 | C | C | . | . | trans | -92.6 | -178.2 | 171.8 | -58.2 | 177.1 | 0 | 0 | 0 | 110.4 | L408 I437 F463 L469 V474 F477 | L408-L446 HydrophobicContact CD1-CD2 3.85Å; I437-L446 HydrophobicContact CD1-CD2 4.03Å; L446-F463 HydrophobicContact CD1-CE1 3.71Å; L446-F463 HydrophobicContact CD1-CZ 4.33Å; L446-F463 HydrophobicContact CD2-CE1 4.06Å; L446-L469 HydrophobicContact CD2-CD1 4.47Å; L446-L469 HydrophobicContact CD2-CD2 3.93Å; L446-L469 HydrophobicContact CG-CD1 4.09Å; L446-L469 HydrophobicContact CG-CD2 4.28Å; L446-V474 HydrophobicContact CD1-CG2 4.44Å; L446-F477 HydrophobicContact CB-CD2 4.14Å; L446-F477 HydrophobicContact CB-CE2 4.48Å; L446-F477 HydrophobicContact CB-CG 4.29Å; L446-F477 HydrophobicContact CD1-CB 3.75Å; L446-F477 HydrophobicContact CD1-CD1 3.64Å; L446-F477 HydrophobicContact CD1-CD2 4.32Å; L446-F477 HydrophobicContact CD1-CE1 4.31Å; L446-F477 HydrophobicContact CD1-CG 3.64Å | ||
| 447 | W | 90.3 | Very high | 84.8 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | trans | -97.8 | 162.7 | -179.9 | 70.8 | 104.6 | 0 | 0 | 0 | 112.7 | L397 L408 L411 L414 L435 I437 L454 F477 | L397-W447 HydrophobicContact CD2-CH2 4.31Å; L408-W447 HydrophobicContact CB-CE3 3.83Å; L408-W447 HydrophobicContact CB-CZ3 4.4Å; L408-W447 HydrophobicContact CD1-CE3 4.16Å; L408-W447 HydrophobicContact CD1-CZ3 3.94Å; L408-W447 WeakPolarHBondContact O-CB 3.39Å; L411-W447 HydrophobicContact CB-CB 4.46Å; L411-W447 HydrophobicContact CB-CD2 3.79Å; L411-W447 HydrophobicContact CB-CE3 4.25Å; L411-W447 HydrophobicContact CB-CG 3.9Å; L411-W447 HydrophobicContact CB-CZ2 4.45Å; L411-W447 HydrophobicContact CD1-CD2 4.33Å; L411-W447 HydrophobicContact CD1-CE3 3.99Å; L411-W447 HydrophobicContact CD1-CH2 4.06Å; L411-W447 HydrophobicContact CD1-CZ2 4.37Å; L411-W447 HydrophobicContact CD1-CZ3 3.87Å; L411-W447 PolarHBondContact O-NE1 2.78Å; L414-W447 HydrophobicContact CD2-CZ2 4.27Å; L435-W447 HydrophobicContact CD1-CH2 4.38Å; I437-W447 HydrophobicContact CD1-CZ3 4.08Å; W447-L454 HydrophobicContact CH2-CD2 4.47Å; W447-L454 HydrophobicContact CZ2-CD2 3.75Å; W447-F477 HydrophobicContact CD2-CE2 4.13Å; W447-F477 HydrophobicContact CD2-CZ 4.15Å; W447-F477 AromaticContact CE2-CZ 3.95Å; W447-F477 HydrophobicContact CE3-CE2 4.37Å; W447-F477 HydrophobicContact CE3-CZ 4.18Å; W447-F477 HydrophobicContact CH2-CE1 4.49Å; W447-F477 AromaticContact CH2-CZ 3.87Å; W447-F477 HydrophobicContact CH2-CZ 3.87Å; W447-F477 AromaticContact CZ2-CZ 3.84Å; W447-F477 HydrophobicContact CZ2-CZ 3.84Å; W447-F477 HydrophobicContact CZ3-CZ 4.03Å; W447-F477 WeakPolarHBondContact O-CD2 3.38Å; W447-F477 VanDerWaalsContact O-CE2 3.23Å; W447-F477 WeakPolarHBondContact O-CE2 3.24Å | ||
| 448 | I | 85.7 | Confident | 84.2 | Confident | 125 Ų | 125 | 50.6 Ų | 50.6 | 64% | 0.641 | 27% | 0.265 | S | S | * | . | trans | -113.2 | 120.6 | 168.8 | -58.3 | 176.2 | 0 | 0 | 0 | 107.1 | ||||
| 449 | P | 81.1 | Confident | 83.8 | Confident | 14 Ų | 14 | 51.6 Ų | 51.6 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | trans | -62.1 | 137.9 | 174.7 | -24.7 | 35.5 | 0 | 0 | 0 | 112.4 | R412 T452 L454 | R412-P449 WeakPolarHBondContact O-CA 3.35Å; P449-T452 WeakPolarHBondContact CB-O 3.35Å; P449-L454 HydrophobicContact CG-CB 4.24Å | ||
| 450 | V | 72.1 | Confident | 83.7 | Confident | 105 Ų | 105 | 49.8 Ų | 49.8 | 64% | 0.636 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -69.8 | -38 | -170.1 | 176.8 | 0 | 0 | 0 | 0 | 114.4 | R412 | R412-V450 HydrophobicContact CB-CG2 3.84Å; R412-V450 HydrophobicContact CG-CG2 3.96Å; R412-V450 PolarHBondContact O-N 3.45Å; R412-V450 VanDerWaalsContact O-N 3.08Å |
| 451 | S | 62.2 | Low | 83.9 | Confident | 89 Ų | 89 | 49.9 Ų | 49.9 | 62% | 0.622 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -133.1 | -17.9 | -166.3 | 58.5 | 0 | 0 | 0 | 0 | 116.1 | ||
| 452 | T | 69.7 | Low | 84.3 | Confident | 59 Ų | 59 | 48.8 Ų | 48.8 | 36% | 0.362 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -155.2 | 143.3 | 179.8 | 49 | 0 | 0 | 0 | 0 | 109.8 | R415 P449 | R415-T452 PolarHBondContact NE-OG1 2.75Å; P449-T452 WeakPolarHBondContact CB-O 3.35Å |
| 453 | N | 83.9 | Confident | 84.8 | Confident | 74 Ų | 74 | 45.3 Ų | 45.3 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | trans | -52.1 | 142.2 | 169.9 | -77.3 | 16.5 | 0 | 0 | 0 | 111.6 | I455 S480 N481 | N453-I455 PolarHBondContact O-N 3.4Å; N453-S480 PolarHBondContact ND2-O 3.23Å; N453-S480 PolarHBondContact OD1-O 3.47Å; N453-N481 CarbonylContact C-O 3.5Å; N453-N481 WeakPolarHBondContact CA-O 3.39Å; N453-N481 WeakPolarHBondContact CB-O 3.2Å | ||
| 454 | L | 90.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 113.5 | 179.1 | 179.3 | 73.4 | 0 | 0 | 0 | 110.1 | L414 R415 I417 W447 P449 I456 F477 N481 V482 N483 | L414-L454 HydrophobicContact CB-CD1 4.45Å; L414-L454 HydrophobicContact CD2-CD1 4.07Å; L414-L454 HydrophobicContact CG-CD1 3.77Å; L414-L454 WeakPolarHBondContact O-CD1 3.14Å; R415-L454 WeakPolarHBondContact O-CA 3.46Å; I417-L454 HydrophobicContact CD1-CD2 4.45Å; I417-L454 HydrophobicContact CG1-CD1 4.23Å; W447-L454 HydrophobicContact CH2-CD2 4.47Å; W447-L454 HydrophobicContact CZ2-CD2 3.75Å; P449-L454 HydrophobicContact CG-CB 4.24Å; L454-I456 HydrophobicContact CD2-CD1 4.07Å; L454-I456 HydrophobicContact CD2-CG1 4.16Å; L454-I456 HydrophobicContact CG-CG1 4.21Å; L454-I456 PolarHBondContact O-N 2.77Å; L454-F477 HydrophobicContact CD2-CZ 4.29Å; L454-N481 PolarHBondContact N-O 3.02Å; L454-V482 HydrophobicContact CB-CG2 4.37Å; L454-V482 HydrophobicContact CD2-CG2 4.15Å; L454-V482 CarbonylContact O-C 3.59Å; L454-V482 WeakPolarHBondContact O-CA 3.42Å; L454-V482 WeakPolarHBondContact O-CG1 3.29Å; L454-N483 PolarHBondContact O-N 2.9Å |
| 455 | I | 91.7 | Very high | 85 | Confident | 61 Ų | 61 | 46.3 Ų | 46.3 | 31% | 0.313 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 111.9 | 179.6 | -53.4 | 178.6 | 0 | 0 | 0 | 109.2 | R415 I416 I417 N453 K457 N483 | R415-I455 PolarHBondContact O-N 3.49Å; I416-I455 WeakPolarHBondContact CA-O 3.32Å; I416-I455 HydrophobicContact CG1-CB 4.36Å; I417-I455 PolarHBondContact N-O 2.73Å; N453-I455 PolarHBondContact O-N 3.4Å; I455-K457 HydrophobicContact CG2-CG 3.98Å; I455-N483 HydrophobicContact CG1-CB 4.44Å |
| 456 | I | 90.4 | Very high | 85.1 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 101.9 | 171.5 | -59.2 | -177.1 | 0 | 0 | 0 | 108.1 | I417 V434 L435 L454 V461 V482 N483 L484 S485 | I417-I456 HydrophobicContact CB-CG1 4.35Å; I417-I456 HydrophobicContact CD1-CD1 4.42Å; I417-I456 HydrophobicContact CD1-CG1 4.39Å; I417-I456 HydrophobicContact CG1-CG1 4.49Å; I417-I456 WeakPolarHBondContact O-CA 3.4Å; V434-I456 HydrophobicContact CG1-CG2 4.15Å; L435-I456 HydrophobicContact CB-CD1 4.28Å; L435-I456 HydrophobicContact CD2-CD1 4.06Å; L454-I456 HydrophobicContact CD2-CD1 4.07Å; L454-I456 HydrophobicContact CD2-CG1 4.16Å; L454-I456 HydrophobicContact CG-CG1 4.21Å; L454-I456 PolarHBondContact O-N 2.77Å; I456-V461 HydrophobicContact CD1-CG1 3.92Å; I456-V461 HydrophobicContact CG2-CG1 4.44Å; I456-V482 HydrophobicContact CB-CG1 4.39Å; I456-V482 HydrophobicContact CD1-CG1 3.72Å; I456-V482 HydrophobicContact CG1-CG1 3.86Å; I456-N483 PolarHBondContact N-O 2.68Å; I456-L484 HydrophobicContact CB-CD1 3.78Å; I456-L484 HydrophobicContact CG2-CD1 3.7Å; I456-S485 PolarHBondContact O-N 2.87Å |
| 457 | K | 85.2 | Confident | 84.8 | Confident | 78 Ų | 78 | 50.2 Ų | 50.2 | 34% | 0.339 | 26% | 0.262 | S | S | . | . | trans | -74.1 | -34.9 | -170.9 | -63.1 | -177 | -179.2 | 171.7 | 0 | 113.6 | I416 I417 H418 I455 S485 | I416-K457 HydrophobicContact CG2-CD 4.43Å; I416-K457 HydrophobicContact CG2-CG 4.5Å; I417-K457 PolarHBondContact O-N 2.56Å; H418-K457 HydrophobicContact CB-CD 4.37Å; H418-K457 PolarHBondContact CE1-NZ 3.49Å; H418-K457 VanDerWaalsContact CE1-NZ 3.3Å; H418-K457 PolarHBondContact ND1-NZ 2.9Å; I455-K457 HydrophobicContact CG2-CG 3.98Å; K457-S485 VanDerWaalsContact O-CB 3.28Å; K457-S485 WeakPolarHBondContact O-CB 3.16Å; K457-S485 PolarHBondContact O-OG 2.84Å | ||
| 458 | H | 82.3 | Confident | 84.6 | Confident | 88 Ų | 88 | 51 Ų | 51 | 41% | 0.407 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -149 | 163 | -176.5 | -52.1 | 97.2 | 0 | 0 | 0 | 112.2 | H418 L420 V434 | H418-H458 PolarHBondContact O-ND1 2.94Å; L420-H458 VanDerWaalsContact CD1-CE1 3.45Å; L420-H458 WeakPolarHBondContact CD1-CE1 3.22Å; V434-H458 WeakPolarHBondContact CG1-O 3.25Å; V434-H458 WeakPolarHBondContact CG2-O 3.07Å |
| 459 | G | 80.7 | Confident | 84.8 | Confident | 21 Ų | 21 | 45.1 Ų | 45.1 | 22% | 0.216 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 92.7 | -172.2 | 169 | 0 | 0 | 0 | 0 | 0 | 116.1 | R486 | G459-R486 PolarHBondContact O-NE 3.49Å; G459-R486 VanDerWaalsContact O-NE 3.15Å; G459-R486 PolarHBondContact O-NH2 3.12Å |
| 460 | R | 86.2 | Confident | 85.2 | Confident | 87 Ų | 87 | 44.5 Ų | 44.5 | 33% | 0.328 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 149 | 180 | -74.8 | -166.7 | -68 | 157.4 | -0.6 | 114.1 | T431 K432 V434 L435 E492 | T431-R460 VanDerWaalsContact O-CZ 3.26Å; T431-R460 PolarHBondContact O-NE 3.2Å; T431-R460 PolarHBondContact O-NH2 2.89Å; K432-R460 PolarHBondContact O-N 3.15Å; V434-R460 PolarHBondContact N-O 3.46Å; L435-R460 PolarHBondContact N-O 3.01Å; R460-E492 WeakPolarHBondContact CA-OE1 3.34Å; R460-E492 WeakPolarHBondContact CB-OE1 3.44Å; R460-E492 WeakPolarHBondContact CG-OE1 3.41Å |
| 461 | V | 90.6 | Very high | 86.1 | Confident | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.2 | 175.4 | -57.8 | 0 | 0 | 0 | 0 | 108.7 | L435 I456 L484 L488 E492 | L435-V461 HydrophobicContact CB-CB 4.41Å; L435-V461 HydrophobicContact CB-CG1 4.09Å; L435-V461 CarbonylContact O-C 3.58Å; L435-V461 WeakPolarHBondContact O-CA 3.09Å; I456-V461 HydrophobicContact CD1-CG1 3.92Å; I456-V461 HydrophobicContact CG2-CG1 4.44Å; V461-L484 HydrophobicContact CG1-CD1 4.11Å; V461-L484 HydrophobicContact CG2-CD2 4.31Å; V461-L488 HydrophobicContact CG2-CD2 3.39Å; V461-E492 PolarHBondContact N-OE1 2.68Å; V461-E492 WeakPolarHBondContact O-CG 3.47Å |
| 462 | V | 90.7 | Very high | 87.4 | Confident | 14 Ų | 14 | 40 Ų | 40 | 9% | 0.085 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 116.2 | -171.1 | 175.1 | 0 | 0 | 0 | 0 | 109.7 | T433 L435 E436 I437 T464 | T433-V462 HydrophobicContact CG2-CB 3.93Å; T433-V462 HydrophobicContact CG2-CG2 3.69Å; L435-V462 PolarHBondContact O-N 2.94Å; E436-V462 WeakPolarHBondContact CA-O 3.28Å; E436-V462 HydrophobicContact CG-CB 4.46Å; I437-V462 PolarHBondContact N-O 3.46Å; V462-T464 HydrophobicContact CG1-CG2 3.99Å |
| 463 | F | 94 | Very high | 88.4 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.009 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 114.5 | 170.1 | -67.4 | -103.5 | 0 | 0 | 0 | 107.5 | L435 I437 L446 L469 V474 F477 I478 L495 I496 N500 | L435-F463 HydrophobicContact CD2-CE2 4.17Å; L435-F463 HydrophobicContact CD2-CZ 3.95Å; I437-F463 HydrophobicContact CB-CD1 3.92Å; I437-F463 HydrophobicContact CB-CE1 4.12Å; I437-F463 HydrophobicContact CD1-CD1 4.25Å; I437-F463 HydrophobicContact CD1-CE1 3.54Å; I437-F463 HydrophobicContact CD1-CZ 4.01Å; I437-F463 HydrophobicContact CG1-CE1 4.3Å; I437-F463 HydrophobicContact CG2-CD1 4.23Å; I437-F463 WeakPolarHBondContact O-CA 3.45Å; L446-F463 HydrophobicContact CD1-CE1 3.71Å; L446-F463 HydrophobicContact CD1-CZ 4.33Å; L446-F463 HydrophobicContact CD2-CE1 4.06Å; F463-L469 HydrophobicContact CD1-CD2 4.32Å; F463-V474 HydrophobicContact CB-CG1 3.9Å; F463-V474 HydrophobicContact CB-CG2 4.49Å; F463-V474 HydrophobicContact CD1-CB 4.45Å; F463-V474 HydrophobicContact CD1-CG1 3.64Å; F463-V474 HydrophobicContact CD1-CG2 3.92Å; F463-V474 HydrophobicContact CD2-CG1 3.64Å; F463-V474 HydrophobicContact CE1-CG1 3.98Å; F463-V474 HydrophobicContact CE1-CG2 4.44Å; F463-V474 HydrophobicContact CE2-CG1 4Å; F463-V474 HydrophobicContact CG-CG1 3.45Å; F463-V474 VanDerWaalsContact CG-CG1 3.45Å; F463-V474 HydrophobicContact CG-CG2 4.34Å; F463-V474 HydrophobicContact CZ-CG1 4.16Å; F463-F477 HydrophobicContact CZ-CD1 4.2Å; F463-F477 HydrophobicContact CZ-CE1 4.2Å; F463-I478 HydrophobicContact CD2-CD1 4.23Å; F463-I478 HydrophobicContact CE2-CD1 3.88Å; F463-I478 HydrophobicContact CE2-CG1 4.29Å; F463-L495 CarbonylContact O-C 3.52Å; F463-I496 HydrophobicContact CB-CG1 4.15Å; F463-N500 PolarHBondContact O-ND2 3.25Å |
| 464 | T | 90.9 | Very high | 88.8 | Confident | 19 Ų | 19 | 38.6 Ų | 38.6 | 12% | 0.117 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 141.5 | -178.1 | -171.1 | 0 | 0 | 0 | 0 | 114.4 | I437 A438 W439 V462 N466 S499 N500 | I437-T464 PolarHBondContact O-N 3.23Å; I437-T464 VanDerWaalsContact O-N 3.13Å; A438-T464 CarbonylContact C-O 3.57Å; A438-T464 VanDerWaalsContact CA-O 3.24Å; A438-T464 WeakPolarHBondContact CA-O 3.25Å; A438-T464 HydrophobicContact CB-CG2 3.79Å; W439-T464 PolarHBondContact N-O 3.24Å; V462-T464 HydrophobicContact CG1-CG2 3.99Å; T464-N466 PolarHBondContact N-ND2 2.03Å; T464-N466 PolarHBondContact O-N 3.33Å; T464-N466 VanDerWaalsContact O-N 3.14Å; T464-N466 PolarHBondContact O-ND2 3.5Å; T464-S499 VanDerWaalsContact CA-OG 3.27Å; T464-S499 WeakPolarHBondContact CA-OG 3.46Å; T464-S499 WeakPolarHBondContact CB-OG 3.46Å; T464-S499 PolarHBondContact OG1-OG 2.85Å; T464-N500 WeakPolarHBondContact CA-OD1 3.3Å; T464-N500 PolarHBondContact N-OD1 3.15Å |
| 465 | L | 86.8 | Confident | 88.8 | Confident | 77 Ų | 77 | 41.6 Ų | 41.6 | 40% | 0.403 | 19% | 0.193 | S | C | . | . | trans | 61.1 | 21 | 174 | -63.6 | 162.4 | 0 | 0 | 0 | 114.5 | W439 R467 S499 N500 | W439-L465 VanDerWaalsContact NE1-CD1 3.34Å; L465-R467 PolarHBondContact O-N 2.91Å; L465-S499 WeakPolarHBondContact CA-O 3.47Å; L465-S499 PolarHBondContact N-O 3.34Å; L465-S499 PolarHBondContact N-OG 2.77Å; L465-N500 PolarHBondContact N-OD1 3.41Å | ||
| 466 | N | 89.9 | Confident | 88.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -84.4 | 93.4 | 168.7 | -49.5 | -75.5 | 0 | 0 | 0 | 107.9 | I437 N440 T464 N468 L469 N500 G501 | I437-N466 PolarHBondContact O-ND2 3.04Å; N440-N466 WeakPolarHBondContact CB-OD1 3.03Å; N440-N466 PolarHBondContact N-OD1 3.43Å; N440-N466 PolarHBondContact ND2-OD1 2.81Å; T464-N466 PolarHBondContact N-ND2 2.03Å; T464-N466 PolarHBondContact O-N 3.33Å; T464-N466 VanDerWaalsContact O-N 3.14Å; T464-N466 PolarHBondContact O-ND2 3.5Å; N466-N468 PolarHBondContact O-N 2.86Å; N466-L469 HydrophobicContact CB-CB 3.8Å; N466-L469 HydrophobicContact CB-CD2 4.2Å; N466-L469 PolarHBondContact O-N 2.87Å; N466-N500 PolarHBondContact N-OD1 3.39Å; N466-N500 PolarHBondContact ND2-OD1 3.01Å; N466-N500 WeakPolarHBondContact O-CA 3.08Å; N466-G501 PolarHBondContact O-N 2.69Å | ||
| 467 | R | 86 | Confident | 88.8 | Confident | 135 Ų | 135 | 41.3 Ų | 41.3 | 51% | 0.509 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -32 | -163.5 | -57.7 | -174.2 | 178.8 | -170.7 | -1.5 | 113.8 | L465 G501 A502 I503 G504 | L465-R467 PolarHBondContact O-N 2.91Å; R467-G501 CarbonylContact O-C 3.6Å; R467-G501 VanDerWaalsContact O-CA 3.32Å; R467-G501 WeakPolarHBondContact O-CA 3.39Å; R467-A502 PolarHBondContact O-N 3.41Å; R467-A502 VanDerWaalsContact O-N 3.13Å; R467-I503 HydrophobicContact CB-CD1 3.73Å; R467-I503 HydrophobicContact CB-CG1 3.75Å; R467-I503 PolarHBondContact O-N 2.89Å; R467-G504 PolarHBondContact O-N 2.84Å; R467-G504 VanDerWaalsContact O-N 3.14Å |
| 468 | N | 85.4 | Confident | 89.1 | Confident | 19 Ų | 19 | 38.3 Ų | 38.3 | 10% | 0.102 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -14.7 | 177.5 | -76 | 2.9 | 0 | 0 | 0 | 114 | Q442 L443 K444 N466 I503 | Q442-N468 WeakPolarHBondContact CA-ND2 3.05Å; Q442-N468 PolarHBondContact O-ND2 3.44Å; Q442-N468 PolarHBondContact OE1-ND2 2.91Å; L443-N468 CarbonylContact O-C 3.54Å; L443-N468 WeakPolarHBondContact O-CB 3.47Å; K444-N468 HydrophobicContact CG-CB 3.96Å; N466-N468 PolarHBondContact O-N 2.86Å; N468-I503 WeakPolarHBondContact OD1-CG1 3.44Å |
| 469 | L | 90.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -93.1 | 115.5 | -173.2 | 176 | 63.3 | 0 | 0 | 0 | 110.2 | L443 K444 L446 F463 N466 V474 N500 G501 | L443-L469 HydrophobicContact CD2-CD2 3.96Å; L443-L469 HydrophobicContact CG-CD2 4.46Å; L443-L469 WeakPolarHBondContact O-CA 3.49Å; L443-L469 VanDerWaalsContact O-CB 3.31Å; L443-L469 WeakPolarHBondContact O-CB 3.44Å; L443-L469 PolarHBondContact O-N 2.98Å; K444-L469 WeakPolarHBondContact O-CD1 3.24Å; L446-L469 HydrophobicContact CD2-CD1 4.47Å; L446-L469 HydrophobicContact CD2-CD2 3.93Å; L446-L469 HydrophobicContact CG-CD1 4.09Å; L446-L469 HydrophobicContact CG-CD2 4.28Å; F463-L469 HydrophobicContact CD1-CD2 4.32Å; N466-L469 HydrophobicContact CB-CB 3.8Å; N466-L469 HydrophobicContact CB-CD2 4.2Å; N466-L469 PolarHBondContact O-N 2.87Å; L469-V474 HydrophobicContact CD1-CG2 4.38Å; L469-V474 HydrophobicContact CD2-CG2 3.71Å; L469-V474 HydrophobicContact CG-CG2 3.78Å; L469-N500 CarbonylContact O-C 3.49Å; L469-N500 VanDerWaalsContact O-CB 3.29Å; L469-N500 WeakPolarHBondContact O-CB 3.41Å; L469-G501 WeakPolarHBondContact O-CA 3.38Å; L469-G501 PolarHBondContact O-N 2.94Å |
| 470 | C | 90.3 | Very high | 89.6 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | trans | -76.7 | 142 | -171.4 | -66.1 | 0 | 0 | 0 | 0 | 114.4 | E472 Y473 V474 C506 | C470-E472 VanDerWaalsContact C-N 3.32Å; C470-E472 WeakPolarHBondContact CB-OE1 3.45Å; C470-E472 PolarHBondContact O-N 2.05Å; C470-Y473 HydrophobicContact CB-CD2 4.02Å; C470-Y473 HydrophobicContact CB-CE2 4.27Å; C470-Y473 HydrophobicContact CB-CG 4.17Å; C470-Y473 WeakPolarHBondContact O-CB 3.4Å; C470-Y473 PolarHBondContact O-N 3.47Å; C470-Y473 VanDerWaalsContact O-N 3.11Å; C470-V474 PolarHBondContact O-N 3.4Å; C470-V474 VanDerWaalsContact O-N 3.14Å; C470-C506 HydrophobicContact CB-CB 3.59Å; C470-C506 WeakPolarHBondContact CB-SG 3.3Å; C470-C506 WeakPolarHBondContact SG-CA 3.11Å; C470-C506 WeakPolarHBondContact SG-CB 3.22Å; C470-C506 PolarHBondContact SG-N 3.44Å; C470-C506 CovalentContact SG-SG 2.03Å; C470-C506 PolarHBondContact SG-SG 2.78Å | ||
| 471 | P | 90.5 | Very high | 89.6 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 14% | 0.143 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.7 | -32.3 | -172.1 | 26.8 | -35.1 | 0 | 0 | 0 | 113 | V474 K475 I496 | P471-V474 PolarHBondContact O-N 2.82Å; P471-K475 WeakPolarHBondContact O-CG 3.33Å; P471-K475 PolarHBondContact O-N 2.71Å; P471-I496 HydrophobicContact CB-CG2 3.99Å |
| 472 | E | 88.5 | Confident | 89.5 | Confident | 77 Ų | 77 | 41.5 Ų | 41.5 | 36% | 0.36 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71.4 | -29.9 | 174.4 | 75.5 | -63.4 | 154.8 | 0 | 0 | 112.7 | C470 K475 A476 C506 | C470-E472 VanDerWaalsContact C-N 3.32Å; C470-E472 WeakPolarHBondContact CB-OE1 3.45Å; C470-E472 PolarHBondContact O-N 2.05Å; E472-K475 PolarHBondContact O-N 3.15Å; E472-A476 WeakPolarHBondContact O-CB 3.21Å; E472-A476 PolarHBondContact O-N 2.71Å; E472-C506 WeakPolarHBondContact OE1-CB 3.25Å |
| 473 | Y | 90.5 | Very high | 89.5 | Confident | 105 Ų | 105 | 45.4 Ų | 45.4 | 41% | 0.412 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.4 | -37.2 | 171 | -61.7 | -6.9 | 0 | 0 | 0 | 111.4 | C470 F477 | C470-Y473 HydrophobicContact CB-CD2 4.02Å; C470-Y473 HydrophobicContact CB-CE2 4.27Å; C470-Y473 HydrophobicContact CB-CG 4.17Å; C470-Y473 WeakPolarHBondContact O-CB 3.4Å; C470-Y473 PolarHBondContact O-N 3.47Å; C470-Y473 VanDerWaalsContact O-N 3.11Å; Y473-F477 WeakPolarHBondContact O-CB 3.22Å; Y473-F477 PolarHBondContact O-N 2.74Å |
| 474 | V | 92.3 | Very high | 89 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -46.2 | 172.6 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | L446 F463 L469 C470 P471 F477 I478 I496 | L446-V474 HydrophobicContact CD1-CG2 4.44Å; F463-V474 HydrophobicContact CB-CG1 3.9Å; F463-V474 HydrophobicContact CB-CG2 4.49Å; F463-V474 HydrophobicContact CD1-CB 4.45Å; F463-V474 HydrophobicContact CD1-CG1 3.64Å; F463-V474 HydrophobicContact CD1-CG2 3.92Å; F463-V474 HydrophobicContact CD2-CG1 3.64Å; F463-V474 HydrophobicContact CE1-CG1 3.98Å; F463-V474 HydrophobicContact CE1-CG2 4.44Å; F463-V474 HydrophobicContact CE2-CG1 4Å; F463-V474 HydrophobicContact CG-CG1 3.45Å; F463-V474 VanDerWaalsContact CG-CG1 3.45Å; F463-V474 HydrophobicContact CG-CG2 4.34Å; F463-V474 HydrophobicContact CZ-CG1 4.16Å; L469-V474 HydrophobicContact CD1-CG2 4.38Å; L469-V474 HydrophobicContact CD2-CG2 3.71Å; L469-V474 HydrophobicContact CG-CG2 3.78Å; C470-V474 PolarHBondContact O-N 3.4Å; C470-V474 VanDerWaalsContact O-N 3.14Å; P471-V474 PolarHBondContact O-N 2.82Å; V474-F477 PolarHBondContact O-N 3.38Å; V474-I478 HydrophobicContact CG1-CD1 3.84Å; V474-I478 VanDerWaalsContact O-CG1 3.29Å; V474-I478 WeakPolarHBondContact O-CG1 3.36Å; V474-I478 PolarHBondContact O-N 2.99Å; V474-I496 HydrophobicContact CB-CG2 4.02Å; V474-I496 HydrophobicContact CG1-CD1 4Å; V474-I496 HydrophobicContact CG1-CG1 3.88Å; V474-I496 HydrophobicContact CG1-CG2 3.97Å |
| 475 | K | 91.3 | Very high | 88.3 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 27% | 0.27 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 175.7 | -76.6 | 174.4 | 169.9 | 172 | 0 | 112.2 | P471 E472 I478 H479 I496 D497 | P471-K475 WeakPolarHBondContact O-CG 3.33Å; P471-K475 PolarHBondContact O-N 2.71Å; E472-K475 PolarHBondContact O-N 3.15Å; K475-I478 PolarHBondContact O-N 3.39Å; K475-H479 WeakPolarHBondContact O-CB 3.41Å; K475-H479 PolarHBondContact O-CD2 2.86Å; K475-H479 PolarHBondContact O-N 3.49Å; K475-I496 HydrophobicContact CG-CG2 4.18Å; K475-D497 VanDerWaalsContact CE-OD1 3.31Å; K475-D497 WeakPolarHBondContact CE-OD1 3.39Å; K475-D497 WeakPolarHBondContact CE-OD2 3.39Å; K475-D497 IonicContact NZ-OD1 3.45Å; K475-D497 PolarHBondContact NZ-OD1 2.8Å; K475-D497 IonicContact NZ-OD2 3.55Å; K475-D497 PolarHBondContact NZ-OD2 3.13Å |
| 476 | A | 89.5 | Confident | 88.1 | Confident | 48 Ų | 48 | 49.6 Ų | 49.6 | 40% | 0.397 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | E472 I478 H479 S480 | E472-A476 WeakPolarHBondContact O-CB 3.21Å; E472-A476 PolarHBondContact O-N 2.71Å; A476-I478 PolarHBondContact O-N 2.78Å; A476-H479 PolarHBondContact O-N 2.85Å; A476-S480 WeakPolarHBondContact O-CB 3.41Å; A476-S480 PolarHBondContact O-N 3.41Å; A476-S480 PolarHBondContact O-OG 2.77Å |
| 477 | F | 92.2 | Very high | 87.8 | Confident | 9 Ų | 9 | 56.7 Ų | 56.7 | 4% | 0.039 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.6 | -47.7 | 173.9 | 171.5 | -101.5 | 0 | 0 | 0 | 111.7 | L446 W447 L454 F463 Y473 V474 H479 N481 V482 | L446-F477 HydrophobicContact CB-CD2 4.14Å; L446-F477 HydrophobicContact CB-CE2 4.48Å; L446-F477 HydrophobicContact CB-CG 4.29Å; L446-F477 HydrophobicContact CD1-CB 3.75Å; L446-F477 HydrophobicContact CD1-CD1 3.64Å; L446-F477 HydrophobicContact CD1-CD2 4.32Å; L446-F477 HydrophobicContact CD1-CE1 4.31Å; L446-F477 HydrophobicContact CD1-CG 3.64Å; W447-F477 HydrophobicContact CD2-CE2 4.13Å; W447-F477 HydrophobicContact CD2-CZ 4.15Å; W447-F477 AromaticContact CE2-CZ 3.95Å; W447-F477 HydrophobicContact CE3-CE2 4.37Å; W447-F477 HydrophobicContact CE3-CZ 4.18Å; W447-F477 HydrophobicContact CH2-CE1 4.49Å; W447-F477 AromaticContact CH2-CZ 3.87Å; W447-F477 HydrophobicContact CH2-CZ 3.87Å; W447-F477 AromaticContact CZ2-CZ 3.84Å; W447-F477 HydrophobicContact CZ2-CZ 3.84Å; W447-F477 HydrophobicContact CZ3-CZ 4.03Å; W447-F477 WeakPolarHBondContact O-CD2 3.38Å; W447-F477 VanDerWaalsContact O-CE2 3.23Å; W447-F477 WeakPolarHBondContact O-CE2 3.24Å; L454-F477 HydrophobicContact CD2-CZ 4.29Å; F463-F477 HydrophobicContact CZ-CD1 4.2Å; F463-F477 HydrophobicContact CZ-CE1 4.2Å; Y473-F477 WeakPolarHBondContact O-CB 3.22Å; Y473-F477 PolarHBondContact O-N 2.74Å; V474-F477 PolarHBondContact O-N 3.38Å; F477-H479 PolarHBondContact O-N 3.39Å; F477-N481 HydrophobicContact CD2-CB 3.94Å; F477-N481 HydrophobicContact CE2-CB 4.2Å; F477-N481 CarbonylContact O-C 3.55Å; F477-N481 WeakPolarHBondContact O-CA 3.47Å; F477-N481 WeakPolarHBondContact O-CB 3.21Å; F477-N481 PolarHBondContact O-N 2.62Å; F477-V482 HydrophobicContact CD1-CG2 3.89Å; F477-V482 HydrophobicContact CE1-CG2 3.49Å; F477-V482 VanDerWaalsContact CE1-CG2 3.49Å; F477-V482 HydrophobicContact CE2-CG2 4.41Å; F477-V482 HydrophobicContact CZ-CG2 3.78Å; F477-V482 PolarHBondContact O-N 2.92Å |
| 478 | I | 91.1 | Very high | 87.7 | Confident | 14 Ų | 14 | 52.1 Ų | 52.1 | 7% | 0.072 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 179.3 | -66.6 | 166.8 | 0 | 0 | 0 | 111.6 | F463 V474 K475 A476 L488 I496 | F463-I478 HydrophobicContact CD2-CD1 4.23Å; F463-I478 HydrophobicContact CE2-CD1 3.88Å; F463-I478 HydrophobicContact CE2-CG1 4.29Å; V474-I478 HydrophobicContact CG1-CD1 3.84Å; V474-I478 VanDerWaalsContact O-CG1 3.29Å; V474-I478 WeakPolarHBondContact O-CG1 3.36Å; V474-I478 PolarHBondContact O-N 2.99Å; K475-I478 PolarHBondContact O-N 3.39Å; A476-I478 PolarHBondContact O-N 2.78Å; I478-L488 HydrophobicContact CD1-CD1 4.2Å; I478-L488 HydrophobicContact CD1-CD2 4.38Å; I478-L488 HydrophobicContact CG2-CD1 4.24Å; I478-L488 HydrophobicContact CG2-CD2 4.35Å; I478-L488 HydrophobicContact CG2-CG 4.4Å; I478-I496 HydrophobicContact CD1-CD1 3.76Å |
| 479 | H | 87.4 | Confident | 87.8 | Confident | 144 Ų | 144 | 53.3 Ų | 53.3 | 67% | 0.667 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -78 | -38.2 | -176.9 | -76.7 | -132.5 | 0 | 0 | 0 | 113.3 | K475 A476 F477 | K475-H479 WeakPolarHBondContact O-CB 3.41Å; K475-H479 PolarHBondContact O-CD2 2.86Å; K475-H479 PolarHBondContact O-N 3.49Å; A476-H479 PolarHBondContact O-N 2.85Å; F477-H479 PolarHBondContact O-N 3.39Å |
| 480 | S | 86 | Confident | 87.5 | Confident | 74 Ų | 74 | 60.2 Ų | 60.2 | 52% | 0.517 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -98 | -29.5 | -172 | -59.2 | 0 | 0 | 0 | 0 | 113.6 | N453 A476 | N453-S480 PolarHBondContact ND2-O 3.23Å; N453-S480 PolarHBondContact OD1-O 3.47Å; A476-S480 WeakPolarHBondContact O-CB 3.41Å; A476-S480 PolarHBondContact O-N 3.41Å; A476-S480 PolarHBondContact O-OG 2.77Å |
| 481 | N | 87.7 | Confident | 87.2 | Confident | 37 Ų | 37 | 64.8 Ų | 64.8 | 20% | 0.198 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -119 | -9 | -171.2 | -55.7 | 109.8 | 0 | 0 | 0 | 114.4 | N453 L454 F477 | N453-N481 CarbonylContact C-O 3.5Å; N453-N481 WeakPolarHBondContact CA-O 3.39Å; N453-N481 WeakPolarHBondContact CB-O 3.2Å; L454-N481 PolarHBondContact N-O 3.02Å; F477-N481 HydrophobicContact CD2-CB 3.94Å; F477-N481 HydrophobicContact CE2-CB 4.2Å; F477-N481 CarbonylContact O-C 3.55Å; F477-N481 WeakPolarHBondContact O-CA 3.47Å; F477-N481 WeakPolarHBondContact O-CB 3.21Å; F477-N481 PolarHBondContact O-N 2.62Å |
| 482 | V | 88.7 | Confident | 87.1 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.9 | 179.1 | -174.2 | 0 | 0 | 0 | 0 | 110.7 | L454 I456 F477 L484 | L454-V482 HydrophobicContact CB-CG2 4.37Å; L454-V482 HydrophobicContact CD2-CG2 4.15Å; L454-V482 CarbonylContact O-C 3.59Å; L454-V482 WeakPolarHBondContact O-CA 3.42Å; L454-V482 WeakPolarHBondContact O-CG1 3.29Å; I456-V482 HydrophobicContact CB-CG1 4.39Å; I456-V482 HydrophobicContact CD1-CG1 3.72Å; I456-V482 HydrophobicContact CG1-CG1 3.86Å; F477-V482 HydrophobicContact CD1-CG2 3.89Å; F477-V482 HydrophobicContact CE1-CG2 3.49Å; F477-V482 VanDerWaalsContact CE1-CG2 3.49Å; F477-V482 HydrophobicContact CE2-CG2 4.41Å; F477-V482 HydrophobicContact CZ-CG2 3.78Å; F477-V482 PolarHBondContact O-N 2.92Å; V482-L484 HydrophobicContact CG1-CB 4.38Å |
| 483 | N | 89.3 | Confident | 87.2 | Confident | 95 Ų | 95 | 61.9 Ų | 61.9 | 51% | 0.508 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 94.2 | 166.4 | -171.2 | -7.7 | 0 | 0 | 0 | 108.4 | L454 I455 I456 | L454-N483 PolarHBondContact O-N 2.9Å; I455-N483 HydrophobicContact CG1-CB 4.44Å; I456-N483 PolarHBondContact N-O 2.68Å |
| 484 | L | 84.7 | Confident | 87.1 | Confident | 26 Ų | 26 | 60.2 Ų | 60.2 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 129.5 | 178.1 | -172.2 | 64.9 | 0 | 0 | 0 | 109.3 | I456 V461 V482 R486 L488 | I456-L484 HydrophobicContact CB-CD1 3.78Å; I456-L484 HydrophobicContact CG2-CD1 3.7Å; V461-L484 HydrophobicContact CG1-CD1 4.11Å; V461-L484 HydrophobicContact CG2-CD2 4.31Å; V482-L484 HydrophobicContact CG1-CB 4.38Å; L484-R486 HydrophobicContact CD2-CG 4.46Å; L484-R486 WeakPolarHBondContact CD2-O 3.43Å; L484-R486 HydrophobicContact CG-CG 4.2Å; L484-R486 VanDerWaalsContact CG-O 3.3Å; L484-R486 WeakPolarHBondContact CG-O 3.33Å; L484-R486 PolarHBondContact O-N 2.83Å; L484-L488 HydrophobicContact CD2-CD2 3.94Å |
| 485 | S | 75.5 | Confident | 86.8 | Confident | 82 Ų | 82 | 62.8 Ų | 62.8 | 57% | 0.573 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -65.8 | 2.9 | -176.7 | 59.9 | 0 | 0 | 0 | 0 | 116.1 | I456 K457 | I456-S485 PolarHBondContact O-N 2.87Å; K457-S485 VanDerWaalsContact O-CB 3.28Å; K457-S485 WeakPolarHBondContact O-CB 3.16Å; K457-S485 PolarHBondContact O-OG 2.84Å |
| 486 | R | 82.6 | Confident | 86.8 | Confident | 79 Ų | 79 | 59.8 Ų | 59.8 | 30% | 0.298 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -157.3 | 164.3 | -177.3 | 58.5 | 168.2 | -172 | 88.6 | 5.3 | 109.5 | G459 L484 E492 | G459-R486 PolarHBondContact O-NE 3.49Å; G459-R486 VanDerWaalsContact O-NE 3.15Å; G459-R486 PolarHBondContact O-NH2 3.12Å; L484-R486 HydrophobicContact CD2-CG 4.46Å; L484-R486 WeakPolarHBondContact CD2-O 3.43Å; L484-R486 HydrophobicContact CG-CG 4.2Å; L484-R486 VanDerWaalsContact CG-O 3.3Å; L484-R486 WeakPolarHBondContact CG-O 3.33Å; L484-R486 PolarHBondContact O-N 2.83Å; R486-E492 IonicContact CZ-OE1 2.69Å; R486-E492 IonicContact CZ-OE2 3.25Å; R486-E492 IonicContact NH1-OE1 3.23Å; R486-E492 IonicContact NH1-OE2 2.82Å; R486-E492 PolarHBondContact NH1-OE2 3.29Å; R486-E492 IonicContact NH2-OE1 3.74Å; R486-E492 PolarHBondContact NH2-OE1 3.12Å; R486-E492 IonicContact NH2-OE2 3.75Å; R486-E492 PolarHBondContact NH2-OE2 2.88Å |
| 487 | N | 83.2 | Confident | 86.7 | Confident | 149 Ų | 149 | 60.8 Ų | 60.8 | 80% | 0.797 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 155.8 | 167.5 | -65.2 | -15.3 | 0 | 0 | 0 | 111.4 | ||
| 488 | L | 85.2 | Confident | 86.3 | Confident | 39 Ų | 39 | 67.6 Ų | 67.6 | 20% | 0.204 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 140.5 | 165.6 | -65.6 | 177.8 | 0 | 0 | 0 | 110 | V461 I478 L484 E492 I496 | V461-L488 HydrophobicContact CG2-CD2 3.39Å; I478-L488 HydrophobicContact CD1-CD1 4.2Å; I478-L488 HydrophobicContact CD1-CD2 4.38Å; I478-L488 HydrophobicContact CG2-CD1 4.24Å; I478-L488 HydrophobicContact CG2-CD2 4.35Å; I478-L488 HydrophobicContact CG2-CG 4.4Å; L484-L488 HydrophobicContact CD2-CD2 3.94Å; L488-E492 HydrophobicContact CB-CB 4.5Å; L488-E492 HydrophobicContact CD2-CB 4.31Å; L488-I496 HydrophobicContact CD1-CD1 3.98Å |
| 489 | S | 85.9 | Confident | 86 | Confident | 43 Ų | 43 | 67.8 Ų | 67.8 | 30% | 0.301 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -78.5 | 155.9 | 169.7 | 61.9 | 0 | 0 | 0 | 0 | 110.7 | L491 E492 S493 | S489-L491 PolarHBondContact O-N 3.35Å; S489-L491 VanDerWaalsContact O-N 3.13Å; S489-E492 WeakPolarHBondContact CB-OE2 3.24Å; S489-E492 PolarHBondContact N-OE2 3.14Å; S489-E492 PolarHBondContact O-N 2.66Å; S489-E492 VanDerWaalsContact OG-CD 3.29Å; S489-E492 VanDerWaalsContact OG-CG 3.32Å; S489-E492 WeakPolarHBondContact OG-CG 3.25Å; S489-E492 PolarHBondContact OG-OE2 3.29Å; S489-S493 PolarHBondContact O-N 2.84Å; S489-S493 VanDerWaalsContact O-N 3.09Å |
| 490 | N | 86 | Confident | 85.9 | Confident | 145 Ų | 145 | 61.3 Ų | 61.3 | 78% | 0.775 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -52.5 | -39.3 | 178.9 | -61.9 | 11.4 | 0 | 0 | 0 | 111.8 | E492 S493 D494 | N490-E492 PolarHBondContact O-N 2.81Å; N490-S493 PolarHBondContact O-N 2.93Å; N490-D494 VanDerWaalsContact O-CB 3.29Å; N490-D494 WeakPolarHBondContact O-CB 3.45Å; N490-D494 PolarHBondContact O-N 3.1Å |
| 491 | L | 83.2 | Confident | 85.7 | Confident | 97 Ų | 97 | 57.8 Ų | 57.8 | 51% | 0.508 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.7 | -36.9 | 176.1 | 179.5 | 62.5 | 0 | 0 | 0 | 113.1 | S489 L495 | S489-L491 PolarHBondContact O-N 3.35Å; S489-L491 VanDerWaalsContact O-N 3.13Å; L491-L495 HydrophobicContact CD1-CD1 4.27Å; L491-L495 HydrophobicContact CD1-CG 4.37Å; L491-L495 HydrophobicContact CG-CD1 4.18Å; L491-L495 WeakPolarHBondContact O-CB 3.46Å; L491-L495 WeakPolarHBondContact O-CD1 3.48Å; L491-L495 WeakPolarHBondContact O-CG 3.49Å; L491-L495 PolarHBondContact O-N 2.88Å |
| 492 | E | 89 | Confident | 85.1 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 1% | 0.014 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.3 | -41.9 | 177.6 | -68.6 | 164.7 | 129.4 | 0 | 0 | 110.8 | R460 V461 R486 L488 S489 N490 L495 I496 | R460-E492 WeakPolarHBondContact CA-OE1 3.34Å; R460-E492 WeakPolarHBondContact CB-OE1 3.44Å; R460-E492 WeakPolarHBondContact CG-OE1 3.41Å; V461-E492 PolarHBondContact N-OE1 2.68Å; V461-E492 WeakPolarHBondContact O-CG 3.47Å; R486-E492 IonicContact CZ-OE1 2.69Å; R486-E492 IonicContact CZ-OE2 3.25Å; R486-E492 IonicContact NH1-OE1 3.23Å; R486-E492 IonicContact NH1-OE2 2.82Å; R486-E492 PolarHBondContact NH1-OE2 3.29Å; R486-E492 IonicContact NH2-OE1 3.74Å; R486-E492 PolarHBondContact NH2-OE1 3.12Å; R486-E492 IonicContact NH2-OE2 3.75Å; R486-E492 PolarHBondContact NH2-OE2 2.88Å; L488-E492 HydrophobicContact CB-CB 4.5Å; L488-E492 HydrophobicContact CD2-CB 4.31Å; S489-E492 WeakPolarHBondContact CB-OE2 3.24Å; S489-E492 PolarHBondContact N-OE2 3.14Å; S489-E492 PolarHBondContact O-N 2.66Å; S489-E492 VanDerWaalsContact OG-CD 3.29Å; S489-E492 VanDerWaalsContact OG-CG 3.32Å; S489-E492 WeakPolarHBondContact OG-CG 3.25Å; S489-E492 PolarHBondContact OG-OE2 3.29Å; N490-E492 PolarHBondContact O-N 2.81Å; E492-L495 PolarHBondContact O-N 3.45Å; E492-I496 WeakPolarHBondContact O-CD1 3.23Å; E492-I496 VanDerWaalsContact O-CG1 3.25Å; E492-I496 WeakPolarHBondContact O-CG1 3.41Å; E492-I496 PolarHBondContact O-N 3.36Å |
| 493 | S | 89.8 | Confident | 84.3 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 25% | 0.245 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.1 | -42.3 | 173.6 | -165.4 | 0 | 0 | 0 | 0 | 112.1 | S489 N490 L495 I496 D497 | S489-S493 PolarHBondContact O-N 2.84Å; S489-S493 VanDerWaalsContact O-N 3.09Å; N490-S493 PolarHBondContact O-N 2.93Å; S493-L495 VanDerWaalsContact C-N 3.3Å; S493-L495 PolarHBondContact O-N 2.86Å; S493-I496 WeakPolarHBondContact O-CB 3.32Å; S493-I496 PolarHBondContact O-N 3.27Å; S493-D497 PolarHBondContact O-N 2.89Å; S493-D497 PolarHBondContact OG-OD2 3.05Å |
| 494 | D | 87.5 | Confident | 83.4 | Confident | 71 Ų | 71 | 58.5 Ų | 58.5 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 175.7 | -106.3 | 16.4 | 0 | 0 | 0 | 111.9 | N490 K498 | N490-D494 VanDerWaalsContact O-CB 3.29Å; N490-D494 WeakPolarHBondContact O-CB 3.45Å; N490-D494 PolarHBondContact O-N 3.1Å; D494-K498 HydrophobicContact CB-CD 4.32Å; D494-K498 WeakPolarHBondContact O-CB 3.21Å; D494-K498 VanDerWaalsContact O-CG 3.3Å; D494-K498 WeakPolarHBondContact O-CG 3.42Å; D494-K498 PolarHBondContact O-N 2.86Å; D494-K498 WeakPolarHBondContact OD1-CE 3.36Å; D494-K498 IonicContact OD1-NZ 3.28Å; D494-K498 PolarHBondContact OD1-NZ 2.99Å; D494-K498 IonicContact OD2-NZ 2.67Å; D494-K498 PolarHBondContact OD2-NZ 2.87Å |
| 495 | L | 87.5 | Confident | 83 | Confident | 53 Ų | 53 | 58.6 Ų | 58.6 | 28% | 0.277 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67 | -40.6 | 175.9 | -76.3 | 168.4 | 0 | 0 | 0 | 111.7 | F463 L491 E492 S493 S499 N500 | F463-L495 CarbonylContact O-C 3.52Å; L491-L495 HydrophobicContact CD1-CD1 4.27Å; L491-L495 HydrophobicContact CD1-CG 4.37Å; L491-L495 HydrophobicContact CG-CD1 4.18Å; L491-L495 WeakPolarHBondContact O-CB 3.46Å; L491-L495 WeakPolarHBondContact O-CD1 3.48Å; L491-L495 WeakPolarHBondContact O-CG 3.49Å; L491-L495 PolarHBondContact O-N 2.88Å; E492-L495 PolarHBondContact O-N 3.45Å; S493-L495 VanDerWaalsContact C-N 3.3Å; S493-L495 PolarHBondContact O-N 2.86Å; L495-S499 PolarHBondContact O-N 3.32Å; L495-S499 PolarHBondContact O-OG 2.91Å; L495-N500 PolarHBondContact O-ND2 3.04Å; L495-N500 VanDerWaalsContact O-ND2 3.08Å |
| 496 | I | 91 | Very high | 83.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.1 | -57.1 | 173.8 | -69.4 | 163 | 0 | 0 | 0 | 109.7 | F463 P471 V474 K475 I478 L488 E492 S493 N500 | F463-I496 HydrophobicContact CB-CG1 4.15Å; P471-I496 HydrophobicContact CB-CG2 3.99Å; V474-I496 HydrophobicContact CB-CG2 4.02Å; V474-I496 HydrophobicContact CG1-CD1 4Å; V474-I496 HydrophobicContact CG1-CG1 3.88Å; V474-I496 HydrophobicContact CG1-CG2 3.97Å; K475-I496 HydrophobicContact CG-CG2 4.18Å; I478-I496 HydrophobicContact CD1-CD1 3.76Å; L488-I496 HydrophobicContact CD1-CD1 3.98Å; E492-I496 WeakPolarHBondContact O-CD1 3.23Å; E492-I496 VanDerWaalsContact O-CG1 3.25Å; E492-I496 WeakPolarHBondContact O-CG1 3.41Å; E492-I496 PolarHBondContact O-N 3.36Å; S493-I496 WeakPolarHBondContact O-CB 3.32Å; S493-I496 PolarHBondContact O-N 3.27Å; I496-N500 WeakPolarHBondContact CA-ND2 3.48Å; I496-N500 PolarHBondContact O-N 3.03Å; I496-N500 PolarHBondContact O-ND2 3.17Å |
| 497 | D | 87.5 | Confident | 83 | Confident | 69 Ų | 69 | 59.2 Ų | 59.2 | 37% | 0.369 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -71.8 | -38.4 | -171.8 | -69.6 | -45 | 0 | 0 | 0 | 114.2 | K475 S493 | K475-D497 VanDerWaalsContact CE-OD1 3.31Å; K475-D497 WeakPolarHBondContact CE-OD1 3.39Å; K475-D497 WeakPolarHBondContact CE-OD2 3.39Å; K475-D497 IonicContact NZ-OD1 3.45Å; K475-D497 PolarHBondContact NZ-OD1 2.8Å; K475-D497 IonicContact NZ-OD2 3.55Å; K475-D497 PolarHBondContact NZ-OD2 3.13Å; S493-D497 PolarHBondContact O-N 2.89Å; S493-D497 PolarHBondContact OG-OD2 3.05Å |
| 498 | K | 83.7 | Confident | 82.6 | Confident | 152 Ų | 152 | 55.4 Ų | 55.4 | 66% | 0.661 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -93.7 | -2.8 | -170.5 | -59.2 | 172.9 | -177.3 | 173.9 | 0 | 114.2 | D494 | D494-K498 HydrophobicContact CB-CD 4.32Å; D494-K498 WeakPolarHBondContact O-CB 3.21Å; D494-K498 VanDerWaalsContact O-CG 3.3Å; D494-K498 WeakPolarHBondContact O-CG 3.42Å; D494-K498 PolarHBondContact O-N 2.86Å; D494-K498 WeakPolarHBondContact OD1-CE 3.36Å; D494-K498 IonicContact OD1-NZ 3.28Å; D494-K498 PolarHBondContact OD1-NZ 2.99Å; D494-K498 IonicContact OD2-NZ 2.67Å; D494-K498 PolarHBondContact OD2-NZ 2.87Å |
| 499 | S | 83.8 | Confident | 82.6 | Confident | 18 Ų | 18 | 58.3 Ų | 58.3 | 13% | 0.126 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -140.9 | -2.3 | -173.3 | 79 | 0 | 0 | 0 | 0 | 117.1 | T464 L465 L495 | T464-S499 VanDerWaalsContact CA-OG 3.27Å; T464-S499 WeakPolarHBondContact CA-OG 3.46Å; T464-S499 WeakPolarHBondContact CB-OG 3.46Å; T464-S499 PolarHBondContact OG1-OG 2.85Å; L465-S499 WeakPolarHBondContact CA-O 3.47Å; L465-S499 PolarHBondContact N-O 3.34Å; L465-S499 PolarHBondContact N-OG 2.77Å; L495-S499 PolarHBondContact O-N 3.32Å; L495-S499 PolarHBondContact O-OG 2.91Å |
| 500 | N | 86.6 | Confident | 82.5 | Confident | 7 Ų | 7 | 62.9 Ų | 62.9 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -114.3 | 160.4 | 174.5 | -50.9 | -85.8 | 0 | 0 | 0 | 109.6 | F463 T464 L465 N466 L469 L495 I496 A502 | F463-N500 PolarHBondContact O-ND2 3.25Å; T464-N500 WeakPolarHBondContact CA-OD1 3.3Å; T464-N500 PolarHBondContact N-OD1 3.15Å; L465-N500 PolarHBondContact N-OD1 3.41Å; N466-N500 PolarHBondContact N-OD1 3.39Å; N466-N500 PolarHBondContact ND2-OD1 3.01Å; N466-N500 WeakPolarHBondContact O-CA 3.08Å; L469-N500 CarbonylContact O-C 3.49Å; L469-N500 VanDerWaalsContact O-CB 3.29Å; L469-N500 WeakPolarHBondContact O-CB 3.41Å; L495-N500 PolarHBondContact O-ND2 3.04Å; L495-N500 VanDerWaalsContact O-ND2 3.08Å; I496-N500 WeakPolarHBondContact CA-ND2 3.48Å; I496-N500 PolarHBondContact O-N 3.03Å; I496-N500 PolarHBondContact O-ND2 3.17Å; N500-A502 PolarHBondContact O-N 3.23Å |
| 501 | G | 80.9 | Confident | 82.6 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 72.4 | 2.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | N466 R467 L469 I503 G504 S621 | N466-G501 PolarHBondContact O-N 2.69Å; R467-G501 CarbonylContact O-C 3.6Å; R467-G501 VanDerWaalsContact O-CA 3.32Å; R467-G501 WeakPolarHBondContact O-CA 3.39Å; L469-G501 WeakPolarHBondContact O-CA 3.38Å; L469-G501 PolarHBondContact O-N 2.94Å; G501-I503 PolarHBondContact O-N 2.66Å; G501-G504 PolarHBondContact O-N 3.15Å; G501-S621 PolarHBondContact O-OG 2.85Å |
| 502 | A | 74.8 | Confident | 82.9 | Confident | 71 Ų | 71 | 54.7 Ų | 54.7 | 59% | 0.587 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -15.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | R467 N500 | R467-A502 PolarHBondContact O-N 3.41Å; R467-A502 VanDerWaalsContact O-N 3.13Å; N500-A502 PolarHBondContact O-N 3.23Å |
| 503 | I | 71.7 | Confident | 82.9 | Confident | 83 Ų | 83 | 56.7 Ų | 56.7 | 43% | 0.426 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.4 | 4.7 | 168 | 74.9 | -167.5 | 0 | 0 | 0 | 112.6 | R467 N468 G501 | R467-I503 HydrophobicContact CB-CD1 3.73Å; R467-I503 HydrophobicContact CB-CG1 3.75Å; R467-I503 PolarHBondContact O-N 2.89Å; N468-I503 WeakPolarHBondContact OD1-CG1 3.44Å; G501-I503 PolarHBondContact O-N 2.66Å |
| 504 | G | 70.6 | Confident | 82.9 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 6% | 0.062 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -80.2 | 153.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R467 G501 C506 S621 | R467-G504 PolarHBondContact O-N 2.84Å; R467-G504 VanDerWaalsContact O-N 3.14Å; G501-G504 PolarHBondContact O-N 3.15Å; G504-C506 PolarHBondContact O-N 3.33Å; G504-S621 WeakPolarHBondContact O-CB 3.41Å |
| 505 | L | 76.2 | Confident | 83.1 | Confident | 28 Ų | 28 | 57.5 Ų | 57.5 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | trans | -86.1 | 98.3 | 169.1 | -80.3 | -173.7 | 0 | 0 | 0 | 110 | T508 E614 R616 E622 | L505-T508 HydrophobicContact CB-CG2 3.69Å; L505-T508 HydrophobicContact CD1-CG2 4.12Å; L505-T508 HydrophobicContact CG-CG2 4.48Å; L505-E614 HydrophobicContact CD1-CG 3.51Å; L505-E614 WeakPolarHBondContact CD1-OE1 3.32Å; L505-E614 WeakPolarHBondContact CG-OE1 3.31Å; L505-R616 HydrophobicContact CD2-CG 3.98Å; L505-R616 HydrophobicContact CG-CG 4.28Å; L505-E622 WeakPolarHBondContact CD2-O 3.42Å | ||
| 506 | C | 80.1 | Confident | 83.1 | Confident | 16 Ų | 16 | 57.8 Ų | 57.8 | 11% | 0.108 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -93.5 | -27.6 | -177.3 | -51.1 | 0 | 0 | 0 | 0 | 112 | C470 E472 G504 S621 | C470-C506 HydrophobicContact CB-CB 3.59Å; C470-C506 WeakPolarHBondContact CB-SG 3.3Å; C470-C506 WeakPolarHBondContact SG-CA 3.11Å; C470-C506 WeakPolarHBondContact SG-CB 3.22Å; C470-C506 PolarHBondContact SG-N 3.44Å; C470-C506 CovalentContact SG-SG 2.03Å; C470-C506 PolarHBondContact SG-SG 2.78Å; E472-C506 WeakPolarHBondContact OE1-CB 3.25Å; G504-C506 PolarHBondContact O-N 3.33Å; C506-S621 PolarHBondContact N-O 3.44Å |
| 507 | R | 77.9 | Confident | 83 | Confident | 157 Ų | 157 | 62.2 Ų | 62.2 | 59% | 0.592 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 90.9 | 175.1 | -70.8 | 175.2 | 179.5 | -179.6 | 2.1 | 110 | S621 E622 G623 | R507-S621 PolarHBondContact N-O 2.01Å; R507-S621 VanDerWaalsContact N-O 3.12Å; R507-E622 HydrophobicContact CB-CB 4.44Å; R507-E622 HydrophobicContact CB-CG 3.55Å; R507-E622 WeakPolarHBondContact CD-OE1 3.47Å; R507-E622 HydrophobicContact CG-CG 4.21Å; R507-E622 IonicContact CZ-OE1 3.49Å; R507-E622 IonicContact NE-OE1 2.73Å; R507-E622 IonicContact NH1-OE1 3.4Å; R507-E622 PolarHBondContact NH1-OE1 3.42Å; R507-G623 PolarHBondContact O-N 3.49Å |
| 508 | T | 76.3 | Confident | 83.2 | Confident | 70 Ų | 70 | 60.4 Ų | 60.4 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 122.6 | -178.1 | 51.2 | 0 | 0 | 0 | 0 | 112.7 | L505 | L505-T508 HydrophobicContact CB-CG2 3.69Å; L505-T508 HydrophobicContact CD1-CG2 4.12Å; L505-T508 HydrophobicContact CG-CG2 4.48Å |
| 509 | H | 84.2 | Confident | 83.4 | Confident | 99 Ų | 99 | 56 Ų | 56 | 46% | 0.458 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 151 | 158.7 | -62.5 | -84.7 | 0 | 0 | 0 | 110.8 | P531 G623 A624 L625 | H509-P531 HydrophobicContact CB-CB 4.42Å; H509-P531 HydrophobicContact CB-CG 3.46Å; H509-P531 VanDerWaalsContact CB-CG 3.46Å; H509-G623 PolarHBondContact CD2-O 3.14Å; H509-G623 PolarHBondContact N-O 2.92Å; H509-A624 HydrophobicContact CB-CB 4.04Å; H509-A624 CarbonylContact O-C 3.57Å; H509-A624 WeakPolarHBondContact O-CA 3.48Å; H509-L625 PolarHBondContact O-N 3.19Å |
| 510 | R | 85.1 | Confident | 83.5 | Confident | 139 Ų | 139 | 56.5 Ų | 56.5 | 53% | 0.525 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 122.3 | 178.3 | 177.2 | 179.5 | 167.4 | 123.8 | 3.2 | 111.3 | N512 N529 L625 E627 | R510-N512 PolarHBondContact NE-OD1 3.09Å; R510-N529 PolarHBondContact O-ND2 2.9Å; R510-L625 WeakPolarHBondContact CA-O 3.49Å; R510-E627 VanDerWaalsContact CZ-CD 3.42Å; R510-E627 IonicContact CZ-OE1 2.76Å; R510-E627 VanDerWaalsContact CZ-OE1 3.23Å; R510-E627 IonicContact CZ-OE2 2.68Å; R510-E627 VanDerWaalsContact NH1-CD 3.29Å; R510-E627 IonicContact NH1-OE1 2.71Å; R510-E627 PolarHBondContact NH1-OE1 3.32Å; R510-E627 IonicContact NH1-OE2 3.24Å; R510-E627 IonicContact NH2-OE1 2.85Å; R510-E627 PolarHBondContact NH2-OE1 3.49Å; R510-E627 VanDerWaalsContact NH2-OE1 3.11Å; R510-E627 IonicContact NH2-OE2 3.34Å; R510-E627 PolarHBondContact NH2-OE2 3.14Å |
| 511 | L | 87.5 | Confident | 83.6 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 128.7 | 171.9 | -60.4 | 177.2 | 0 | 0 | 0 | 110.7 | I527 V613 I615 A624 L625 S626 | L511-I527 HydrophobicContact CB-CG2 4.4Å; L511-I527 HydrophobicContact CD2-CG2 3.9Å; L511-V613 HydrophobicContact CD1-CB 4.33Å; L511-V613 HydrophobicContact CD1-CG1 3.82Å; L511-I615 HydrophobicContact CD1-CD1 3.92Å; L511-I615 HydrophobicContact CD1-CG1 4.06Å; L511-I615 HydrophobicContact CD2-CD1 4.31Å; L511-A624 HydrophobicContact CD1-CB 3.98Å; L511-A624 HydrophobicContact CD2-CB 3.53Å; L511-A624 HydrophobicContact CG-CB 3.6Å; L511-L625 PolarHBondContact N-O 3.22Å; L511-S626 WeakPolarHBondContact O-CA 3.08Å |
| 512 | N | 88.1 | Confident | 84 | Confident | 68 Ų | 68 | 61.9 Ų | 61.9 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -98.8 | 132.8 | 169.5 | -63.7 | -19.5 | 0 | 0 | 0 | 108.6 | R510 I528 N529 | R510-N512 PolarHBondContact NE-OD1 3.09Å; N512-I528 HydrophobicContact CB-CB 4.48Å; N512-I528 PolarHBondContact O-N 3.24Å; N512-N529 WeakPolarHBondContact CB-OD1 3.47Å; N512-N529 PolarHBondContact N-OD1 3.47Å |
| 513 | L | 89.7 | Confident | 84.8 | Confident | 45 Ų | 45 | 58.6 Ų | 58.6 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 148.7 | -174.9 | -55.4 | 178.7 | 0 | 0 | 0 | 110.8 | F525 T526 I527 V613 F629 | L513-F525 HydrophobicContact CD2-CD2 4.13Å; L513-F525 HydrophobicContact CD2-CE2 4.36Å; L513-T526 CarbonylContact C-O 3.51Å; L513-T526 WeakPolarHBondContact CA-O 3.39Å; L513-I527 HydrophobicContact CD2-CB 4.17Å; L513-I527 HydrophobicContact CD2-CG1 3.73Å; L513-I527 HydrophobicContact CD2-CG2 4.21Å; L513-V613 HydrophobicContact CD1-CB 4.19Å; L513-V613 HydrophobicContact CD1-CG2 3.6Å; L513-V613 HydrophobicContact CD2-CB 4.44Å; L513-V613 HydrophobicContact CD2-CG2 4.1Å; L513-F629 HydrophobicContact CD1-CD1 3.61Å; L513-F629 HydrophobicContact CD1-CE1 3.44Å; L513-F629 VanDerWaalsContact CD1-CE1 3.44Å; L513-F629 HydrophobicContact CD1-CZ 4.28Å |
| 514 | S | 90.1 | Very high | 85.7 | Confident | 47 Ų | 47 | 54.8 Ų | 54.8 | 33% | 0.329 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 127.5 | 163.8 | 59 | 0 | 0 | 0 | 0 | 110.2 | F525 T526 | S514-F525 CarbonylContact O-C 3.58Å; S514-F525 WeakPolarHBondContact O-CA 3.47Å; S514-F525 WeakPolarHBondContact O-CB 3.33Å; S514-T526 PolarHBondContact N-O 3.28Å; S514-T526 PolarHBondContact O-N 2.92Å |
| 515 | I | 91.3 | Very high | 86.8 | Confident | 75 Ų | 75 | 54.5 Ų | 54.5 | 39% | 0.385 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 130.6 | 171.8 | -59.7 | 174.6 | 0 | 0 | 0 | 108.2 | V518 V523 F629 F631 | I515-V518 HydrophobicContact CG2-CG2 3.87Å; I515-V523 HydrophobicContact CG2-CG2 4.13Å; I515-F629 HydrophobicContact CD1-CD2 4.12Å; I515-F629 HydrophobicContact CG1-CD2 4.44Å; I515-F631 HydrophobicContact CD1-CB 4.13Å |
| 516 | N | 88.4 | Confident | 87.5 | Confident | 60 Ų | 60 | 53.9 Ų | 53.9 | 32% | 0.321 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -47.3 | -179.8 | -56.3 | -36.7 | 0 | 0 | 0 | 110.9 | S524 F525 T526 | N516-S524 PolarHBondContact N-O 3.3Å; N516-S524 PolarHBondContact ND2-OG 2.82Å; N516-F525 WeakPolarHBondContact ND2-CA 3.5Å; N516-F525 PolarHBondContact ND2-N 3.28Å; N516-F525 PolarHBondContact ND2-O 3.45Å; N516-T526 VanDerWaalsContact CG-OG1 3.29Å; N516-T526 PolarHBondContact ND2-OG1 2.95Å; N516-T526 PolarHBondContact OD1-OG1 2.99Å |
| 517 | Y | 88.9 | Confident | 87.9 | Confident | 93 Ų | 93 | 53.1 Ų | 53.1 | 37% | 0.365 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.3 | 158.8 | 179.4 | 50.6 | -101.2 | 0 | 0 | 0 | 111.3 | H519 S524 | Y517-H519 AromaticContact CD2-CD2 3.51Å; Y517-H519 AromaticContact CD2-NE2 3.33Å; Y517-H519 VanDerWaalsContact CD2-NE2 3.33Å; Y517-H519 WeakPolarHBondContact CD2-NE2 3.31Å; Y517-H519 AromaticContact CE2-CD2 3.82Å; Y517-H519 AromaticContact CE2-NE2 3.63Å; Y517-S524 PolarHBondContact N-O 3.44Å; Y517-S524 PolarHBondContact O-N 3.11Å |
| 518 | V | 90.7 | Very high | 88.3 | Confident | 31 Ų | 31 | 48.9 Ų | 48.9 | 19% | 0.188 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 134.7 | 175.1 | -164.5 | 0 | 0 | 0 | 0 | 109.7 | I515 V523 F631 Q632 T633 K634 | I515-V518 HydrophobicContact CG2-CG2 3.87Å; V518-V523 HydrophobicContact CG1-CB 4.42Å; V518-V523 HydrophobicContact CG2-CG2 4.09Å; V518-F631 HydrophobicContact CG1-CD2 4.16Å; V518-Q632 WeakPolarHBondContact CG1-O 3.21Å; V518-T633 HydrophobicContact CG1-CG2 4.46Å; V518-K634 VanDerWaalsContact O-CE 3.3Å; V518-K634 WeakPolarHBondContact O-CE 3.17Å; V518-K634 PolarHBondContact O-NZ 2.93Å |
| 519 | H | 88.6 | Confident | 88.6 | Confident | 60 Ų | 60 | 47.9 Ų | 47.9 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | trans | -113.6 | -170.2 | 176.3 | -66.7 | -77.6 | 0 | 0 | 0 | 110.6 | Y517 R521 S522 T633 K634 | Y517-H519 AromaticContact CD2-CD2 3.51Å; Y517-H519 AromaticContact CD2-NE2 3.33Å; Y517-H519 VanDerWaalsContact CD2-NE2 3.33Å; Y517-H519 WeakPolarHBondContact CD2-NE2 3.31Å; Y517-H519 AromaticContact CE2-CD2 3.82Å; Y517-H519 AromaticContact CE2-NE2 3.63Å; H519-R521 VanDerWaalsContact C-N 3.29Å; H519-R521 PolarHBondContact O-N 2.99Å; H519-S522 PolarHBondContact N-O 3.28Å; H519-T633 WeakPolarHBondContact O-CA 3.3Å; H519-T633 WeakPolarHBondContact O-CB 3.43Å; H519-K634 PolarHBondContact O-N 3.06Å; H519-K634 VanDerWaalsContact O-N 3.08Å | ||
| 520 | Q | 86 | Confident | 88.2 | Confident | 28 Ų | 28 | 43.9 Ų | 43.9 | 13% | 0.131 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -64.7 | -32.6 | 174.3 | -57.2 | 95.6 | -43.6 | 0 | 0 | 113.1 | P605 T633 K634 Q635 D636 I895 N896 | Q520-P605 HydrophobicContact CB-CB 4.45Å; Q520-P605 HydrophobicContact CB-CG 4.39Å; Q520-P605 VanDerWaalsContact O-CA 3.26Å; Q520-P605 WeakPolarHBondContact O-CA 3.27Å; Q520-T633 WeakPolarHBondContact O-CB 3.47Å; Q520-K634 HydrophobicContact CG-CB 4.1Å; Q520-Q635 WeakPolarHBondContact CG-O 3.11Å; Q520-D636 HydrophobicContact CB-CB 4.09Å; Q520-D636 HydrophobicContact CG-CB 4.05Å; Q520-I895 PolarHBondContact NE2-O 2.93Å; Q520-N896 PolarHBondContact OE1-O 3.46Å |
| 521 | R | 87.9 | Confident | 87.7 | Confident | 107 Ų | 107 | 38.3 Ų | 38.3 | 40% | 0.404 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -135.5 | 8.5 | -168.8 | -59.4 | -175.2 | 176.3 | -92.2 | 0.8 | 114.2 | H519 N601 Y602 L603 P605 D636 | H519-R521 VanDerWaalsContact C-N 3.29Å; H519-R521 PolarHBondContact O-N 2.99Å; R521-N601 CarbonylContact O-C 3.45Å; R521-Y602 PolarHBondContact O-N 3.04Å; R521-L603 WeakPolarHBondContact CG-O 3.38Å; R521-L603 PolarHBondContact O-N 3.11Å; R521-P605 HydrophobicContact CG-CG 4.07Å; R521-D636 IonicContact CZ-OD2 2.73Å; R521-D636 IonicContact NE-OD2 3.17Å; R521-D636 PolarHBondContact NE-OD2 3.25Å; R521-D636 IonicContact NH2-OD2 2.69Å; R521-D636 PolarHBondContact NH2-OD2 3.49Å |
| 522 | S | 89.3 | Confident | 86.8 | Confident | 13 Ų | 13 | 41.6 Ų | 41.6 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 160.5 | 179 | 63.5 | 0 | 0 | 0 | 0 | 113.1 | H519 V600 N601 | H519-S522 PolarHBondContact N-O 3.28Å; S522-V600 CarbonylContact C-O 3.56Å; S522-V600 WeakPolarHBondContact CA-O 3.38Å; S522-V600 WeakPolarHBondContact CB-O 3.32Å; S522-N601 WeakPolarHBondContact CB-OD1 3.46Å |
| 523 | V | 92.2 | Very high | 86 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 136.5 | 171.9 | 56 | 0 | 0 | 0 | 0 | 109.4 | I515 V518 E599 V600 L603 F631 | I515-V523 HydrophobicContact CG2-CG2 4.13Å; V518-V523 HydrophobicContact CG1-CB 4.42Å; V518-V523 HydrophobicContact CG2-CG2 4.09Å; V523-E599 WeakPolarHBondContact O-CA 3.36Å; V523-V600 HydrophobicContact CG1-CB 3.95Å; V523-V600 PolarHBondContact N-O 3.1Å; V523-V600 PolarHBondContact O-N 3.15Å; V523-L603 HydrophobicContact CG1-CD1 4.05Å; V523-F631 HydrophobicContact CB-CD2 4.31Å; V523-F631 HydrophobicContact CB-CE2 4.05Å; V523-F631 HydrophobicContact CB-CZ 4.39Å; V523-F631 HydrophobicContact CG1-CD2 4.47Å; V523-F631 HydrophobicContact CG1-CE1 4.25Å; V523-F631 HydrophobicContact CG1-CE2 3.81Å; V523-F631 HydrophobicContact CG1-CZ 3.69Å; V523-F631 HydrophobicContact CG2-CD2 4.44Å |
| 524 | S | 91.4 | Very high | 84.8 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 140.9 | 168.5 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | N516 Y517 C598 | N516-S524 PolarHBondContact N-O 3.3Å; N516-S524 PolarHBondContact ND2-OG 2.82Å; Y517-S524 PolarHBondContact N-O 3.44Å; Y517-S524 PolarHBondContact O-N 3.11Å; S524-C598 VanDerWaalsContact CA-O 3.25Å; S524-C598 WeakPolarHBondContact CA-O 3.5Å; S524-C598 WeakPolarHBondContact CB-O 3.48Å; S524-C598 PolarHBondContact OG-O 3.42Å |
| 525 | F | 92.5 | Very high | 83.7 | Confident | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 160.2 | 175.8 | 61.7 | -95 | 0 | 0 | 0 | 110.6 | L513 S514 N516 I527 V544 P571 C598 V600 V613 F629 | L513-F525 HydrophobicContact CD2-CD2 4.13Å; L513-F525 HydrophobicContact CD2-CE2 4.36Å; S514-F525 CarbonylContact O-C 3.58Å; S514-F525 WeakPolarHBondContact O-CA 3.47Å; S514-F525 WeakPolarHBondContact O-CB 3.33Å; N516-F525 WeakPolarHBondContact ND2-CA 3.5Å; N516-F525 PolarHBondContact ND2-N 3.28Å; N516-F525 PolarHBondContact ND2-O 3.45Å; F525-I527 HydrophobicContact CD2-CG1 4.37Å; F525-I527 HydrophobicContact CE2-CD1 4.46Å; F525-I527 HydrophobicContact CE2-CG1 4.08Å; F525-V544 HydrophobicContact CE1-CG2 3.8Å; F525-V544 HydrophobicContact CZ-CG2 3.54Å; F525-P571 HydrophobicContact CZ-CG 4.45Å; F525-C598 HydrophobicContact CD2-CB 4.07Å; F525-C598 HydrophobicContact CE1-CB 4.08Å; F525-C598 HydrophobicContact CE2-CB 3.52Å; F525-C598 HydrophobicContact CZ-CB 3.52Å; F525-C598 PolarHBondContact N-O 2.79Å; F525-C598 PolarHBondContact O-N 3.41Å; F525-V600 HydrophobicContact CE1-CG2 4.03Å; F525-V613 HydrophobicContact CD2-CG2 4.42Å; F525-V613 HydrophobicContact CE2-CG2 3.58Å; F525-V613 HydrophobicContact CZ-CG2 3.64Å; F525-F629 HydrophobicContact CD1-CZ 4.48Å |
| 526 | T | 90.7 | Very high | 82.5 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 9% | 0.086 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128.4 | 177.5 | -58 | 0 | 0 | 0 | 0 | 110.1 | L513 S514 N516 I576 L596 | L513-T526 CarbonylContact C-O 3.51Å; L513-T526 WeakPolarHBondContact CA-O 3.39Å; S514-T526 PolarHBondContact N-O 3.28Å; S514-T526 PolarHBondContact O-N 2.92Å; N516-T526 VanDerWaalsContact CG-OG1 3.29Å; N516-T526 PolarHBondContact ND2-OG1 2.95Å; N516-T526 PolarHBondContact OD1-OG1 2.99Å; T526-I576 HydrophobicContact CG2-CD1 3.7Å; T526-L596 CarbonylContact C-O 3.45Å; T526-L596 WeakPolarHBondContact CA-O 3.45Å |
| 527 | I | 89.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 121.7 | 169.6 | -45.5 | -177.4 | 0 | 0 | 0 | 107.7 | L511 L513 F525 T530 T542 K595 L596 V613 I615 | L511-I527 HydrophobicContact CB-CG2 4.4Å; L511-I527 HydrophobicContact CD2-CG2 3.9Å; L513-I527 HydrophobicContact CD2-CB 4.17Å; L513-I527 HydrophobicContact CD2-CG1 3.73Å; L513-I527 HydrophobicContact CD2-CG2 4.21Å; F525-I527 HydrophobicContact CD2-CG1 4.37Å; F525-I527 HydrophobicContact CE2-CD1 4.46Å; F525-I527 HydrophobicContact CE2-CG1 4.08Å; I527-T530 HydrophobicContact CB-CG2 4.44Å; I527-T530 HydrophobicContact CG2-CG2 3.95Å; I527-T542 HydrophobicContact CD1-CG2 3.89Å; I527-K595 WeakPolarHBondContact O-CA 3.49Å; I527-L596 HydrophobicContact CB-CB 4.21Å; I527-L596 HydrophobicContact CD1-CB 4.29Å; I527-L596 HydrophobicContact CD1-CD1 4.36Å; I527-L596 HydrophobicContact CG1-CB 4.31Å; I527-L596 PolarHBondContact N-O 2.8Å; I527-L596 PolarHBondContact O-N 3.29Å; I527-L596 VanDerWaalsContact O-N 3.08Å; I527-V613 HydrophobicContact CD1-CG1 4.04Å; I527-I615 HydrophobicContact CD1-CD1 4.35Å |
| 528 | I | 86 | Confident | 80.3 | Confident | 69 Ų | 69 | 53.5 Ų | 53.5 | 35% | 0.354 | 26% | 0.264 | S | S | . | . | trans | -89.9 | -31.2 | -167.2 | -56 | 174 | 0 | 0 | 0 | 112.2 | N512 | N512-I528 HydrophobicContact CB-CB 4.48Å; N512-I528 PolarHBondContact O-N 3.24Å | ||
| 529 | N | 83.4 | Confident | 79.4 | Confident | 48 Ų | 48 | 54 Ų | 54 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | trans | -137.5 | 59.8 | -165.2 | 68.3 | -38.7 | 0 | 0 | 0 | 113 | R510 N512 | R510-N529 PolarHBondContact O-ND2 2.9Å; N512-N529 WeakPolarHBondContact CB-OD1 3.47Å; N512-N529 PolarHBondContact N-OD1 3.47Å | ||
| 530 | T | 75.6 | Confident | 78.7 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | trans | -64 | 134.8 | 177.8 | 64.8 | 0 | 0 | 0 | 0 | 111.3 | I527 L594 L596 | I527-T530 HydrophobicContact CB-CG2 4.44Å; I527-T530 HydrophobicContact CG2-CG2 3.95Å; T530-L594 WeakPolarHBondContact CG2-O 3.32Å; T530-L594 PolarHBondContact N-O 3.08Å; T530-L594 WeakPolarHBondContact OG1-CB 3.41Å; T530-L594 PolarHBondContact OG1-O 2.98Å; T530-L596 HydrophobicContact CG2-CD1 3.71Å; T530-L596 HydrophobicContact CG2-CG 3.92Å | ||
| 531 | P | 74 | Confident | 78.3 | Confident | 21 Ų | 21 | 54.2 Ų | 54.2 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | trans | -60.2 | 149.1 | 173.7 | -23.9 | 33.7 | 0 | 0 | 0 | 113.4 | H509 W533 A624 | H509-P531 HydrophobicContact CB-CB 4.42Å; H509-P531 HydrophobicContact CB-CG 3.46Å; H509-P531 VanDerWaalsContact CB-CG 3.46Å; P531-W533 HydrophobicContact CB-CD2 4.21Å; P531-W533 HydrophobicContact CB-CE3 4.23Å; P531-W533 HydrophobicContact CB-CH2 4.02Å; P531-W533 HydrophobicContact CB-CZ2 3.96Å; P531-W533 HydrophobicContact CB-CZ3 4.15Å; P531-W533 HydrophobicContact CG-CH2 3.83Å; P531-W533 HydrophobicContact CG-CZ2 3.86Å; P531-W533 HydrophobicContact CG-CZ3 4.35Å; P531-W533 WeakPolarHBondContact O-CZ3 3.23Å; P531-W533 PolarHBondContact O-N 2.99Å; P531-A624 HydrophobicContact CG-CB 4Å | ||
| 532 | A | 68.8 | Low | 78.1 | Confident | 72 Ų | 72 | 49.8 Ų | 49.8 | 60% | 0.595 | 26% | 0.257 | S | S | * | . | trans | -88.2 | 100.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 533 | W | 71.5 | Confident | 77.9 | Confident | 28 Ų | 28 | 50.2 Ų | 50.2 | 11% | 0.106 | 26% | 0.259 | C | S | . | . | trans | -82.1 | 141.9 | 170.7 | -67.7 | -84.1 | 0 | 0 | 0 | 110.7 | P531 D535 V539 I615 T617 A624 | P531-W533 HydrophobicContact CB-CD2 4.21Å; P531-W533 HydrophobicContact CB-CE3 4.23Å; P531-W533 HydrophobicContact CB-CH2 4.02Å; P531-W533 HydrophobicContact CB-CZ2 3.96Å; P531-W533 HydrophobicContact CB-CZ3 4.15Å; P531-W533 HydrophobicContact CG-CH2 3.83Å; P531-W533 HydrophobicContact CG-CZ2 3.86Å; P531-W533 HydrophobicContact CG-CZ3 4.35Å; P531-W533 WeakPolarHBondContact O-CZ3 3.23Å; P531-W533 PolarHBondContact O-N 2.99Å; W533-D535 PolarHBondContact O-N 3.29Å; W533-V539 HydrophobicContact CB-CG2 4Å; W533-V539 HydrophobicContact CD2-CG2 3.74Å; W533-V539 HydrophobicContact CE3-CG1 4.13Å; W533-V539 HydrophobicContact CE3-CG2 3.52Å; W533-V539 HydrophobicContact CG-CG2 3.97Å; W533-V539 HydrophobicContact CH2-CG1 4.44Å; W533-V539 HydrophobicContact CZ3-CG1 3.97Å; W533-V539 HydrophobicContact CZ3-CG2 4.22Å; W533-I615 HydrophobicContact CH2-CB 4.16Å; W533-I615 HydrophobicContact CH2-CD1 4.41Å; W533-I615 HydrophobicContact CH2-CG2 3.6Å; W533-I615 HydrophobicContact CZ2-CG2 4.24Å; W533-I615 HydrophobicContact CZ3-CG2 4.19Å; W533-T617 HydrophobicContact CD2-CG2 4.43Å; W533-T617 HydrophobicContact CG-CG2 4.14Å; W533-A624 HydrophobicContact CH2-CB 4.19Å; W533-A624 HydrophobicContact CZ2-CB 4.14Å | ||
| 534 | N | 65.1 | Low | 77.7 | Confident | 178 Ų | 178 | 50.2 Ų | 50.2 | 95% | 0.952 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -58.5 | -22.5 | -177.9 | -69.1 | -21.4 | 0 | 0 | 0 | 114.2 | ||
| 535 | D | 66.4 | Low | 77.4 | Confident | 35 Ų | 35 | 51.1 Ų | 51.1 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | trans | -141.5 | 99 | 176.1 | -176.2 | -1.3 | 0 | 0 | 0 | 110.5 | W533 R537 Q538 | W533-D535 PolarHBondContact O-N 3.29Å; D535-R537 PolarHBondContact O-N 2.81Å; D535-R537 VanDerWaalsContact OD1-CB 3.29Å; D535-R537 WeakPolarHBondContact OD1-CB 3.27Å; D535-R537 WeakPolarHBondContact OD1-CG 3.43Å; D535-R537 IonicContact OD1-CZ 2.64Å; D535-R537 PolarHBondContact OD1-N 3.39Å; D535-R537 IonicContact OD1-NE 2.63Å; D535-R537 PolarHBondContact OD1-NE 3.05Å; D535-R537 IonicContact OD1-NH2 3.09Å; D535-R537 PolarHBondContact OD1-NH2 3.24Å; D535-R537 IonicContact OD2-CZ 3.25Å; D535-R537 IonicContact OD2-NE 3.65Å; D535-R537 PolarHBondContact OD2-NE 3.33Å; D535-R537 IonicContact OD2-NH2 2.93Å; D535-R537 PolarHBondContact OD2-NH2 2.92Å; D535-Q538 HydrophobicContact CB-CG 3.97Å; D535-Q538 WeakPolarHBondContact O-CB 3.32Å; D535-Q538 PolarHBondContact O-N 3.45Å; D535-Q538 PolarHBondContact OD2-NE2 3.22Å | ||
| 536 | F | 66.5 | Low | 77.1 | Confident | 146 Ų | 146 | 52.8 Ų | 52.8 | 64% | 0.64 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -58.2 | -20.2 | 179.7 | -64.3 | -80 | 0 | 0 | 0 | 114 | Q538 V539 | F536-Q538 PolarHBondContact O-N 2.8Å; F536-V539 PolarHBondContact O-N 3.29Å |
| 537 | R | 63.9 | Low | 76.5 | Confident | 202 Ų | 202 | 53.2 Ų | 53.2 | 76% | 0.762 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -72.2 | -14.9 | 177.1 | -54.9 | 168 | -62.9 | 175.5 | 8.2 | 112.7 | D535 | D535-R537 PolarHBondContact O-N 2.81Å; D535-R537 VanDerWaalsContact OD1-CB 3.29Å; D535-R537 WeakPolarHBondContact OD1-CB 3.27Å; D535-R537 WeakPolarHBondContact OD1-CG 3.43Å; D535-R537 IonicContact OD1-CZ 2.64Å; D535-R537 PolarHBondContact OD1-N 3.39Å; D535-R537 IonicContact OD1-NE 2.63Å; D535-R537 PolarHBondContact OD1-NE 3.05Å; D535-R537 IonicContact OD1-NH2 3.09Å; D535-R537 PolarHBondContact OD1-NH2 3.24Å; D535-R537 IonicContact OD2-CZ 3.25Å; D535-R537 IonicContact OD2-NE 3.65Å; D535-R537 PolarHBondContact OD2-NE 3.33Å; D535-R537 IonicContact OD2-NH2 2.93Å; D535-R537 PolarHBondContact OD2-NH2 2.92Å |
| 538 | Q | 66.6 | Low | 75.9 | Confident | 50 Ų | 50 | 60.2 Ų | 60.2 | 23% | 0.234 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -88.8 | -11.4 | 177.4 | -56.3 | -178.5 | 26.1 | 0 | 0 | 112 | D535 F536 T617 M618 F619 | D535-Q538 HydrophobicContact CB-CG 3.97Å; D535-Q538 WeakPolarHBondContact O-CB 3.32Å; D535-Q538 PolarHBondContact O-N 3.45Å; D535-Q538 PolarHBondContact OD2-NE2 3.22Å; F536-Q538 PolarHBondContact O-N 2.8Å; Q538-T617 CarbonylContact O-C 3.46Å; Q538-T617 WeakPolarHBondContact O-CA 3.19Å; Q538-M618 PolarHBondContact O-N 2.64Å; Q538-F619 HydrophobicContact CB-CD2 4.48Å; Q538-F619 HydrophobicContact CG-CD2 4.04Å |
| 539 | V | 71.3 | Confident | 75.3 | Confident | 41 Ų | 41 | 57.1 Ų | 57.1 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -81.3 | 121.3 | -177.7 | -173.3 | 0 | 0 | 0 | 0 | 109.7 | W533 F536 I615 T617 | W533-V539 HydrophobicContact CB-CG2 4Å; W533-V539 HydrophobicContact CD2-CG2 3.74Å; W533-V539 HydrophobicContact CE3-CG1 4.13Å; W533-V539 HydrophobicContact CE3-CG2 3.52Å; W533-V539 HydrophobicContact CG-CG2 3.97Å; W533-V539 HydrophobicContact CH2-CG1 4.44Å; W533-V539 HydrophobicContact CZ3-CG1 3.97Å; W533-V539 HydrophobicContact CZ3-CG2 4.22Å; F536-V539 PolarHBondContact O-N 3.29Å; V539-I615 HydrophobicContact CG1-CG2 3.54Å; V539-T617 HydrophobicContact CG2-CG2 4.39Å |
| 540 | L | 73.9 | Confident | 74.4 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 28% | 0.283 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 160.9 | 175.6 | -71 | 173.6 | 0 | 0 | 0 | 111.2 | R616 M618 L746 | L540-R616 HydrophobicContact CB-CB 4.4Å; L540-R616 WeakPolarHBondContact CB-O 3.37Å; L540-R616 HydrophobicContact CD1-CB 4.02Å; L540-R616 PolarHBondContact N-O 3.3Å; L540-M618 HydrophobicContact CD1-CG 4.32Å; L540-M618 HydrophobicContact CD2-CG 3.67Å; L540-M618 HydrophobicContact CD2-SD 4.16Å; L540-M618 HydrophobicContact CG-CG 3.85Å; L540-L746 HydrophobicContact CD2-CD1 4.29Å |
| 541 | P | 78.2 | Confident | 73.6 | Confident | 38 Ų | 38 | 62.2 Ų | 62.2 | 25% | 0.247 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -50.3 | 147.1 | 174.6 | -27.4 | 35.7 | 0 | 0 | 0 | 113 | T543 H745 L746 | P541-T543 PolarHBondContact O-N 3.29Å; P541-H745 HydrophobicContact CG-CB 4.22Å; P541-L746 HydrophobicContact CG-CG 4.33Å |
| 542 | T | 83.8 | Confident | 72.8 | Confident | 15 Ų | 15 | 69 Ų | 69 | 9% | 0.092 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 132.3 | 169.7 | -55.6 | 0 | 0 | 0 | 0 | 109.5 | I527 P571 V613 I615 | I527-T542 HydrophobicContact CD1-CG2 3.89Å; T542-P571 HydrophobicContact CG2-CG 4.29Å; T542-P571 WeakPolarHBondContact O-CD 3.47Å; T542-V613 HydrophobicContact CG2-CG1 3.48Å; T542-V613 VanDerWaalsContact CG2-CG1 3.48Å; T542-I615 HydrophobicContact CG2-CG1 4.21Å |
| 543 | T | 85.1 | Confident | 72.1 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 14% | 0.135 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 133.6 | 179.7 | -55.3 | 0 | 0 | 0 | 0 | 109.7 | P541 Y545 I568 V613 E614 | P541-T543 PolarHBondContact O-N 3.29Å; T543-Y545 HydrophobicContact CG2-CD2 4.08Å; T543-Y545 HydrophobicContact CG2-CE2 3.59Å; T543-I568 HydrophobicContact CG2-CG2 3.4Å; T543-I568 VanDerWaalsContact CG2-CG2 3.4Å; T543-V613 CarbonylContact O-C 3.59Å; T543-V613 WeakPolarHBondContact O-CA 3.45Å; T543-E614 PolarHBondContact N-O 3.34Å; T543-E614 PolarHBondContact O-N 3.17Å |
| 544 | V | 86.7 | Confident | 71.4 | Confident | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 130 | 169.2 | 173.3 | 0 | 0 | 0 | 0 | 108.7 | F525 Y546 H569 P571 V600 A611 Y612 V613 | F525-V544 HydrophobicContact CE1-CG2 3.8Å; F525-V544 HydrophobicContact CZ-CG2 3.54Å; V544-Y546 HydrophobicContact CG1-CD1 4.26Å; V544-H569 PolarHBondContact N-O 3.11Å; V544-H569 PolarHBondContact O-N 2.81Å; V544-P571 HydrophobicContact CG2-CB 4.41Å; V544-P571 HydrophobicContact CG2-CG 3.69Å; V544-V600 HydrophobicContact CB-CG2 4.18Å; V544-V600 HydrophobicContact CG1-CG2 4.17Å; V544-V600 HydrophobicContact CG2-CG2 3.9Å; V544-A611 HydrophobicContact CG1-CB 4.37Å; V544-Y612 WeakPolarHBondContact CA-O 3.27Å; V544-V613 HydrophobicContact CG2-CG2 4.09Å |
| 545 | Y | 85.3 | Confident | 70.8 | Confident | 21 Ų | 21 | 69.7 Ų | 69.7 | 8% | 0.082 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 132.3 | 165.9 | -65.3 | -106.3 | 0 | 0 | 0 | 107.1 | T543 W566 H567 I568 A611 Y612 E614 R616 | T543-Y545 HydrophobicContact CG2-CD2 4.08Å; T543-Y545 HydrophobicContact CG2-CE2 3.59Å; Y545-W566 HydrophobicContact CD1-CB 4.21Å; Y545-H567 CarbonylContact C-O 3.51Å; Y545-H567 VanDerWaalsContact CA-O 3.29Å; Y545-H567 WeakPolarHBondContact CA-O 3.4Å; Y545-I568 HydrophobicContact CD1-CD1 4.23Å; Y545-I568 HydrophobicContact CD1-CG1 3.79Å; Y545-I568 HydrophobicContact CE1-CD1 3.67Å; Y545-I568 HydrophobicContact CE1-CG1 3.74Å; Y545-I568 HydrophobicContact CE1-CG2 4.23Å; Y545-A611 CarbonylContact O-C 3.57Å; Y545-A611 WeakPolarHBondContact O-CA 3.24Å; Y545-A611 WeakPolarHBondContact O-CB 3.45Å; Y545-Y612 VanDerWaalsContact CB-CZ 3.46Å; Y545-Y612 HydrophobicContact CD1-CE2 4.43Å; Y545-Y612 AromaticContact CD1-CZ 3.89Å; Y545-Y612 WeakPolarHBondContact CD1-OH 3.29Å; Y545-Y612 AromaticContact CD2-CD2 3.96Å; Y545-Y612 HydrophobicContact CD2-CD2 3.96Å; Y545-Y612 HydrophobicContact CD2-CE1 4.45Å; Y545-Y612 AromaticContact CD2-CE2 3.25Å; Y545-Y612 HydrophobicContact CD2-CE2 3.25Å; Y545-Y612 AromaticContact CD2-CZ 3.55Å; Y545-Y612 AromaticContact CE2-CE2 3.85Å; Y545-Y612 HydrophobicContact CE2-CE2 3.85Å; Y545-Y612 HydrophobicContact CG-CD2 4.38Å; Y545-Y612 AromaticContact CG-CE1 3.96Å; Y545-Y612 HydrophobicContact CG-CE1 3.96Å; Y545-Y612 AromaticContact CG-CE2 3.6Å; Y545-Y612 HydrophobicContact CG-CE2 3.6Å; Y545-Y612 AromaticContact CG-CZ 3.35Å; Y545-Y612 VanDerWaalsContact CG-OH 3.3Å; Y545-Y612 PolarHBondContact N-O 2.79Å; Y545-Y612 PolarHBondContact O-N 3.39Å; Y545-E614 HydrophobicContact CD2-CB 4.34Å; Y545-E614 HydrophobicContact CE2-CB 3.81Å; Y545-E614 WeakPolarHBondContact CE2-OE2 3.32Å; Y545-E614 PolarHBondContact OH-OE2 2.86Å; Y545-R616 PolarHBondContact OH-NH2 3.34Å |
| 546 | Y | 86.2 | Confident | 70 | Confident | 36 Ų | 36 | 70.9 Ų | 70.9 | 14% | 0.141 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 148.7 | 178.1 | 68.2 | -78.8 | 0 | 0 | 0 | 111.9 | V544 H567 H569 L603 Y609 Q610 | V544-Y546 HydrophobicContact CG1-CD1 4.26Å; Y546-H567 HydrophobicContact CD1-CB 4.08Å; Y546-H567 HydrophobicContact CD2-CB 4.29Å; Y546-H567 HydrophobicContact CE1-CB 3.66Å; Y546-H567 HydrophobicContact CE2-CB 3.89Å; Y546-H567 HydrophobicContact CG-CB 4.37Å; Y546-H567 PolarHBondContact N-O 2.82Å; Y546-H567 WeakPolarHBondContact O-CA 3.06Å; Y546-H567 WeakPolarHBondContact O-CB 3.39Å; Y546-H567 PolarHBondContact O-CD2 3.13Å; Y546-H567 PolarHBondContact O-N 3.47Å; Y546-H569 HydrophobicContact CE1-CB 3.91Å; Y546-L603 HydrophobicContact CD2-CD2 3.97Å; Y546-L603 HydrophobicContact CE2-CD2 3.53Å; Y546-Y609 AromaticContact CD2-CD1 3.93Å; Y546-Y609 HydrophobicContact CD2-CD1 3.93Å; Y546-Y609 HydrophobicContact CD2-CE1 4Å; Y546-Y609 HydrophobicContact CE2-CE1 4.27Å; Y546-Q610 CarbonylContact C-O 3.53Å; Y546-Q610 WeakPolarHBondContact CA-O 3.45Å |
| 547 | R | 79.2 | Confident | 69.1 | Low | 23 Ų | 23 | 71.1 Ų | 71.1 | 9% | 0.087 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 150.8 | 175 | 68.5 | -177 | -170.4 | 149.8 | 9.2 | 110.7 | D377 S565 W566 Y609 Q610 | D377-R547 IonicContact OD2-NH1 2.6Å; D377-R547 PolarHBondContact OD2-NH1 2.86Å; R547-S565 WeakPolarHBondContact CB-O 3.2Å; R547-W566 HydrophobicContact CB-CD2 4.41Å; R547-W566 HydrophobicContact CB-CE3 4.14Å; R547-W566 HydrophobicContact CG-CD2 4.28Å; R547-W566 HydrophobicContact CG-CE3 3.97Å; R547-W566 HydrophobicContact CG-CH2 4.16Å; R547-W566 HydrophobicContact CG-CZ2 4.44Å; R547-W566 HydrophobicContact CG-CZ3 3.91Å; R547-Y609 WeakPolarHBondContact O-CA 3.29Å; R547-Y609 WeakPolarHBondContact O-CD1 3.34Å; R547-Q610 HydrophobicContact CG-CB 4Å; R547-Q610 PolarHBondContact N-O 3.15Å; R547-Q610 PolarHBondContact O-N 2.96Å |
| 548 | Y | 76.9 | Confident | 68.4 | Low | 147 Ų | 147 | 65.4 Ų | 65.4 | 58% | 0.576 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 149.8 | 168.2 | 68.7 | -88.1 | 0 | 0 | 0 | 109.4 | ||
| 549 | I | 72.2 | Confident | 67.8 | Low | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | trans | -118.6 | 140.4 | 172.3 | -35.2 | 177.4 | 0 | 0 | 0 | 108.3 | E553 Q607 R608 Q610 T630 | I549-E553 HydrophobicContact CG2-CB 3.77Å; I549-E553 WeakPolarHBondContact CG2-OE2 3.21Å; I549-Q607 PolarHBondContact O-NE2 3.04Å; I549-Q607 VanDerWaalsContact O-NE2 3.09Å; I549-R608 HydrophobicContact CB-CG 4.5Å; I549-R608 HydrophobicContact CD1-CG 4.04Å; I549-R608 HydrophobicContact CG1-CG 4.5Å; I549-R608 PolarHBondContact N-O 2.75Å; I549-Q610 HydrophobicContact CD1-CB 3.82Å; I549-Q610 HydrophobicContact CD1-CG 3.51Å; I549-Q610 HydrophobicContact CG1-CB 3.93Å; I549-Q610 HydrophobicContact CG1-CG 4.11Å; I549-T630 HydrophobicContact CD1-CG2 4.25Å | ||
| 550 | G | 65.9 | Low | 67.4 | Low | 29 Ų | 29 | 68 Ų | 68 | 30% | 0.299 | 36% | 0.355 | S | S | . | . | trans | -60.1 | 159.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D552 E553 R608 | G550-D552 VanDerWaalsContact C-N 3.29Å; G550-E553 PolarHBondContact N-OE2 3.02Å; G550-R608 PolarHBondContact O-NE 2.79Å; G550-R608 PolarHBondContact O-NH2 3.24Å | ||
| 551 | L | 58.5 | Low | 67.4 | Low | 142 Ų | 142 | 65.5 Ų | 65.5 | 74% | 0.743 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -65.5 | -36.9 | 174.5 | -71.5 | 169.3 | 0 | 0 | 0 | 111.3 | R608 | L551-R608 PolarHBondContact O-NH2 3.48Š|
| 552 | D | 56.7 | Low | 67.2 | Low | 162 Ų | 162 | 63.7 Ų | 63.7 | 87% | 0.866 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -91.7 | -1.7 | -174.4 | -47.6 | -72 | 0 | 0 | 0 | 114.8 | G550 | G550-D552 VanDerWaalsContact C-N 3.29Š|
| 553 | E | 54.3 | Low | 66.2 | Low | 89 Ų | 89 | 64.1 Ų | 64.1 | 42% | 0.416 | 33% | 0.333 | S | S | . | . | trans | -78.9 | 132.8 | -180 | -64.9 | -176.9 | 117.8 | 0 | 0 | 111.7 | I549 G550 R608 | I549-E553 HydrophobicContact CG2-CB 3.77Å; I549-E553 WeakPolarHBondContact CG2-OE2 3.21Å; G550-E553 PolarHBondContact N-OE2 3.02Å; E553-R608 PolarHBondContact O-NH2 3.08Å | ||
| 554 | P | 56.8 | Low | 64.9 | Low | 89 Ų | 89 | 69.2 Ų | 69.2 | 58% | 0.578 | 35% | 0.353 | S | S | * | . | trans | -76 | 143 | -178 | 30.4 | -35.1 | 0 | 0 | 0 | 112.4 | S556 | P554-S556 PolarHBondContact O-N 2.94Š| ||
| 555 | E | 52.8 | Low | 63.7 | Low | 116 Ų | 116 | 70.3 Ų | 70.3 | 54% | 0.542 | 36% | 0.361 | S | S | . | . | trans | -71.6 | 20.9 | -179 | -62.1 | -171.3 | 127.4 | 0 | 0 | 114.8 | R608 T630 | E555-R608 IonicContact OE1-NH1 3.55Å; E555-T630 WeakPolarHBondContact OE1-CB 3.32Å; E555-T630 VanDerWaalsContact OE1-CG2 3.28Å; E555-T630 WeakPolarHBondContact OE1-CG2 2.96Å; E555-T630 PolarHBondContact OE1-OG1 3.35Å | ||
| 556 | S | 49 | Very low | 62.9 | Low | 60 Ų | 60 | 71.3 Ų | 71.3 | 42% | 0.42 | 36% | 0.364 | S | S | . | . | trans | -61.6 | 145.2 | 176.4 | 55 | 0 | 0 | 0 | 0 | 112.3 | P554 I558 | P554-S556 PolarHBondContact O-N 2.94Å; S556-I558 PolarHBondContact O-N 3.32Å; S556-I558 WeakPolarHBondContact OG-CG1 3.47Å | ||
| 557 | N | 47.5 | Very low | 62.2 | Low | 150 Ų | 150 | 74.2 Ų | 74.2 | 80% | 0.802 | 38% | 0.379 | S | S | * | . | trans | -66.8 | 75.8 | 167.5 | -87.3 | -36.4 | 0 | 0 | 0 | 110.6 | Q559 | N557-Q559 PolarHBondContact O-N 3.38Š| ||
| 558 | I | 49.7 | Very low | 62.1 | Low | 83 Ų | 83 | 77.3 Ų | 77.3 | 43% | 0.426 | 40% | 0.396 | S | S | . | . | trans | -71.7 | 98.8 | 172.7 | -49.4 | 179 | 0 | 0 | 0 | 107.2 | S556 T560 | S556-I558 PolarHBondContact O-N 3.32Å; S556-I558 WeakPolarHBondContact OG-CG1 3.47Å; I558-T560 HydrophobicContact CB-CG2 4.18Å; I558-T560 HydrophobicContact CG2-CG2 3.59Å; I558-T560 PolarHBondContact O-N 3.29Å | ||
| 559 | Q | 54.8 | Low | 62.3 | Low | 132 Ų | 132 | 71.1 Ų | 71.1 | 62% | 0.617 | 37% | 0.372 | S | S | * | . | trans | -62.8 | 89.1 | 152.7 | -79.4 | -171.7 | -16.2 | 0 | 0 | 106.9 | N557 I561 | N557-Q559 PolarHBondContact O-N 3.38Å; Q559-I561 PolarHBondContact O-N 3.37Å | ||
| 560 | T | 62.1 | Low | 62.9 | Low | 12 Ų | 12 | 73.1 Ų | 73.1 | 7% | 0.074 | 38% | 0.382 | C | S | . | . | trans | -63.3 | 135.5 | 178.5 | 55 | 0 | 0 | 0 | 0 | 108.3 | D377 I558 C562 | D377-T560 HydrophobicContact CB-CG2 4.14Å; I558-T560 HydrophobicContact CB-CG2 4.18Å; I558-T560 HydrophobicContact CG2-CG2 3.59Å; I558-T560 PolarHBondContact O-N 3.29Å; T560-C562 WeakPolarHBondContact CB-O 3.12Å; T560-C562 PolarHBondContact O-N 3.2Å; T560-C562 PolarHBondContact OG1-O 3.23Å | ||
| 561 | I | 74.4 | Confident | 63.7 | Low | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.01 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -65.7 | -25.9 | 175.7 | -74 | 168 | 0 | 0 | 0 | 109.6 | T380 F383 M384 L405 Q406 S407 F410 Q559 | T380-I561 HydrophobicContact CG2-CB 4.32Å; T380-I561 HydrophobicContact CG2-CD1 3.87Å; T380-I561 HydrophobicContact CG2-CG1 4Å; T380-I561 PolarHBondContact OG1-N 3.2Å; F383-I561 HydrophobicContact CB-CD1 3.8Å; F383-I561 HydrophobicContact CB-CG2 4.38Å; F383-I561 HydrophobicContact CD1-CG2 4.47Å; F383-I561 HydrophobicContact CD2-CG2 4.37Å; F383-I561 HydrophobicContact CG-CG2 4.16Å; M384-I561 HydrophobicContact CG-CD1 3.82Å; M384-I561 HydrophobicContact SD-CD1 4.03Å; L405-I561 CarbonylContact C-O 3.57Å; L405-I561 WeakPolarHBondContact CA-O 3.17Å; L405-I561 HydrophobicContact CD2-CG2 3.74Å; Q406-I561 PolarHBondContact N-O 3.32Å; S407-I561 PolarHBondContact N-O 2.91Å; F410-I561 HydrophobicContact CB-CD1 3.96Å; F410-I561 HydrophobicContact CD1-CD1 3.9Å; F410-I561 HydrophobicContact CD1-CG1 4.26Å; F410-I561 HydrophobicContact CD1-CG2 3.81Å; F410-I561 HydrophobicContact CE1-CG2 3.94Å; F410-I561 HydrophobicContact CG-CD1 4.38Å; Q559-I561 PolarHBondContact O-N 3.37Å |
| 562 | C | 72.8 | Confident | 64.7 | Low | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -129 | 152.2 | -176.3 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | C375 S404 T560 | C375-C562 HydrophobicContact CB-CB 3.56Å; C375-C562 WeakPolarHBondContact CB-SG 3.29Å; C375-C562 WeakPolarHBondContact SG-CB 3.41Å; C375-C562 CovalentContact SG-SG 2.01Å; C375-C562 PolarHBondContact SG-SG 2.67Å; S404-C562 VanDerWaalsContact O-CA 3.24Å; S404-C562 WeakPolarHBondContact O-CA 3.21Å; T560-C562 WeakPolarHBondContact CB-O 3.12Å; T560-C562 PolarHBondContact O-N 3.2Å; T560-C562 PolarHBondContact OG1-O 3.23Å |
| 563 | D | 63.9 | Low | 66 | Low | 25 Ų | 25 | 66.9 Ų | 66.9 | 13% | 0.134 | 34% | 0.339 | C | S | . | . | trans | -142.1 | 116.1 | 177.4 | -179.1 | 4.9 | 0 | 0 | 0 | 112.3 | S404 Q406 S565 | S404-D563 PolarHBondContact O-N 2.68Å; S404-D563 VanDerWaalsContact O-N 3.16Å; Q406-D563 HydrophobicContact CG-CB 3.67Å; Q406-D563 PolarHBondContact NE2-OD2 3.48Å; D563-S565 PolarHBondContact OD1-N 2.74Å; D563-S565 VanDerWaalsContact OD1-N 3.13Å | ||
| 564 | K | 57.6 | Low | 67.3 | Low | 128 Ų | 128 | 69.4 Ų | 69.4 | 56% | 0.557 | 35% | 0.351 | S | S | * | . | trans | -137.8 | 14.9 | 157.5 | -62.5 | -171.1 | -176.7 | -177.8 | 0 | 112.1 | D374 S404 | D374-K564 IonicContact OD1-NZ 3.07Å; D374-K564 PolarHBondContact OD1-NZ 3.5Å; S404-K564 WeakPolarHBondContact OG-CE 3.34Å | ||
| 565 | S | 60.4 | Low | 68.1 | Low | 26 Ų | 26 | 72.1 Ų | 72.1 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | trans | -99.2 | -20.8 | -167.1 | 64.3 | 0 | 0 | 0 | 0 | 114.4 | D377 R547 D563 H567 | D377-S565 PolarHBondContact OD1-OG 3.04Å; D377-S565 VanDerWaalsContact OD2-CB 3.28Å; D377-S565 WeakPolarHBondContact OD2-CB 3.34Å; D377-S565 PolarHBondContact OD2-OG 3Å; R547-S565 WeakPolarHBondContact CB-O 3.2Å; D563-S565 PolarHBondContact OD1-N 2.74Å; D563-S565 VanDerWaalsContact OD1-N 3.13Å; S565-H567 PolarHBondContact O-N 2.65Å | ||
| 566 | W | 68.6 | Low | 68.6 | Low | 43 Ų | 43 | 69.4 Ų | 69.4 | 16% | 0.163 | 34% | 0.342 | C | S | . | . | trans | -82.1 | 116.5 | 177.8 | -59.1 | 95.8 | 0 | 0 | 0 | 112.1 | Y545 R547 Q610 Y612 V628 | Y545-W566 HydrophobicContact CD1-CB 4.21Å; R547-W566 HydrophobicContact CB-CD2 4.41Å; R547-W566 HydrophobicContact CB-CE3 4.14Å; R547-W566 HydrophobicContact CG-CD2 4.28Å; R547-W566 HydrophobicContact CG-CE3 3.97Å; R547-W566 HydrophobicContact CG-CH2 4.16Å; R547-W566 HydrophobicContact CG-CZ2 4.44Å; R547-W566 HydrophobicContact CG-CZ3 3.91Å; W566-Q610 HydrophobicContact CH2-CB 4.05Å; W566-Q610 HydrophobicContact CZ3-CB 4.17Å; W566-Q610 WeakPolarHBondContact CZ3-O 3.39Å; W566-Y612 HydrophobicContact CD2-CE1 4.03Å; W566-Y612 HydrophobicContact CE3-CD1 4.18Å; W566-Y612 HydrophobicContact CE3-CE1 4.09Å; W566-Y612 HydrophobicContact CH2-CD1 4.05Å; W566-Y612 HydrophobicContact CH2-CE1 4.38Å; W566-Y612 HydrophobicContact CZ2-CD1 4.39Å; W566-Y612 HydrophobicContact CZ2-CE1 4.32Å; W566-Y612 AromaticContact CZ3-CD1 3.93Å; W566-Y612 HydrophobicContact CZ3-CD1 3.93Å; W566-Y612 HydrophobicContact CZ3-CE1 4.26Å; W566-V628 HydrophobicContact CH2-CG1 4.19Å | ||
| 567 | H | 72.6 | Confident | 68.9 | Low | 97 Ų | 97 | 73.7 Ų | 73.7 | 45% | 0.449 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 144.8 | 160.2 | -57.5 | -84.1 | 0 | 0 | 0 | 109.5 | Y545 Y546 S565 | Y545-H567 CarbonylContact C-O 3.51Å; Y545-H567 VanDerWaalsContact CA-O 3.29Å; Y545-H567 WeakPolarHBondContact CA-O 3.4Å; Y546-H567 HydrophobicContact CD1-CB 4.08Å; Y546-H567 HydrophobicContact CD2-CB 4.29Å; Y546-H567 HydrophobicContact CE1-CB 3.66Å; Y546-H567 HydrophobicContact CE2-CB 3.89Å; Y546-H567 HydrophobicContact CG-CB 4.37Å; Y546-H567 PolarHBondContact N-O 2.82Å; Y546-H567 WeakPolarHBondContact O-CA 3.06Å; Y546-H567 WeakPolarHBondContact O-CB 3.39Å; Y546-H567 PolarHBondContact O-CD2 3.13Å; Y546-H567 PolarHBondContact O-N 3.47Å; S565-H567 PolarHBondContact O-N 2.65Å |
| 568 | I | 76.6 | Confident | 69 | Low | 87 Ų | 87 | 72.1 Ų | 72.1 | 45% | 0.446 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 135.5 | -178.1 | -48.1 | -178.1 | 0 | 0 | 0 | 108.3 | T543 Y545 S743 | T543-I568 HydrophobicContact CG2-CG2 3.4Å; T543-I568 VanDerWaalsContact CG2-CG2 3.4Å; Y545-I568 HydrophobicContact CD1-CD1 4.23Å; Y545-I568 HydrophobicContact CD1-CG1 3.79Å; Y545-I568 HydrophobicContact CE1-CD1 3.67Å; Y545-I568 HydrophobicContact CE1-CG1 3.74Å; Y545-I568 HydrophobicContact CE1-CG2 4.23Å; I568-S743 PolarHBondContact O-OG 3.39Å |
| 569 | H | 80.7 | Confident | 68.4 | Low | 17 Ų | 17 | 73.9 Ų | 73.9 | 8% | 0.079 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 142.2 | 178.2 | -178.2 | 69.8 | 0 | 0 | 0 | 111.4 | V544 Y546 P571 P742 | V544-H569 PolarHBondContact N-O 3.11Å; V544-H569 PolarHBondContact O-N 2.81Å; Y546-H569 HydrophobicContact CE1-CB 3.91Å; H569-P571 WeakPolarHBondContact O-CD 3.49Å; H569-P742 PolarHBondContact ND1-O 3.31Å |
| 570 | E | 85 | Confident | 67.6 | Low | 47 Ų | 47 | 75.6 Ų | 75.6 | 22% | 0.22 | 37% | 0.373 | C | S | . | . | trans | -97.8 | 94.2 | 176 | -64.8 | 169.1 | 123.5 | 0 | 0 | 108.6 | I744 H745 | E570-I744 VanDerWaalsContact OE2-C 3.24Å; E570-I744 PolarHBondContact OE2-N 2.83Å; E570-H745 PolarHBondContact OE2-N 3.16Å | ||
| 571 | P | 83.1 | Confident | 66.4 | Low | 10 Ų | 10 | 85.5 Ų | 85.5 | 7% | 0.065 | 41% | 0.41 | C | S | . | . | trans | -61.7 | 152.1 | 179.8 | 27.6 | -40.3 | 0 | 0 | 0 | 112.8 | F525 T542 V544 H569 C573 C598 E599 V600 | F525-P571 HydrophobicContact CZ-CG 4.45Å; T542-P571 HydrophobicContact CG2-CG 4.29Å; T542-P571 WeakPolarHBondContact O-CD 3.47Å; V544-P571 HydrophobicContact CG2-CB 4.41Å; V544-P571 HydrophobicContact CG2-CG 3.69Å; H569-P571 WeakPolarHBondContact O-CD 3.49Å; P571-C573 PolarHBondContact O-N 3.22Å; P571-C598 HydrophobicContact CB-CB 4.14Å; P571-C598 HydrophobicContact CG-CB 4.34Å; P571-E599 WeakPolarHBondContact CA-O 3.31Å; P571-E599 WeakPolarHBondContact CB-O 3.17Å; P571-V600 HydrophobicContact CB-CG2 4.07Å | ||
| 572 | K | 79.5 | Confident | 64.5 | Low | 147 Ų | 147 | 93.9 Ų | 93.9 | 64% | 0.639 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 108.6 | 167.9 | -68.4 | 177.3 | -177.4 | 172.3 | 0 | 108.8 | C598 E599 | K572-C598 WeakPolarHBondContact O-CA 3.12Å; K572-E599 PolarHBondContact N-O 3.24Å; K572-E599 PolarHBondContact O-N 3.09Å |
| 573 | C | 83.8 | Confident | 63.1 | Low | 44 Ų | 44 | 97.9 Ų | 97.9 | 30% | 0.297 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132.7 | 176.9 | -60.3 | 0 | 0 | 0 | 0 | 112 | P571 Q597 C598 | P571-C573 PolarHBondContact O-N 3.22Å; C573-Q597 CarbonylContact C-O 3.55Å; C573-Q597 VanDerWaalsContact CA-O 3.28Å; C573-Q597 WeakPolarHBondContact CA-O 3.49Å; C573-C598 HydrophobicContact CB-CB 4.17Å; C573-C598 WeakPolarHBondContact CB-SG 3.33Å; C573-C598 WeakPolarHBondContact SG-CB 3.47Å; C573-C598 CovalentContact SG-SG 2.04Å; C573-C598 PolarHBondContact SG-SG 3.16Å |
| 574 | Q | 80.8 | Confident | 61.9 | Low | 143 Ų | 143 | 103.2 Ų | 103.2 | 67% | 0.668 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 147 | 176.3 | -57.8 | -173.4 | 19.7 | 0 | 0 | 110.3 | L596 Q597 | Q574-L596 CarbonylContact O-C 3.56Å; Q574-L596 WeakPolarHBondContact O-CA 3.19Å; Q574-Q597 PolarHBondContact N-O 3.22Å; Q574-Q597 PolarHBondContact O-N 2.78Å |
| 575 | K | 73.5 | Confident | 60.9 | Low | 146 Ų | 146 | 104 Ų | 104 | 64% | 0.635 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 125 | 175.4 | -62.7 | -170 | 174.8 | -166.8 | 0 | 110 | L594 L596 | K575-L594 HydrophobicContact CB-CD1 4.38Å; K575-L594 HydrophobicContact CD-CD1 4.16Å; K575-L594 HydrophobicContact CD-CD2 3.86Å; K575-L594 HydrophobicContact CG-CD1 4.43Å; K575-L594 HydrophobicContact CG-CD2 4.09Å; K575-L596 HydrophobicContact CG-CD2 3.86Å |
| 576 | I | 64.6 | Low | 59.7 | Low | 58 Ų | 58 | 111.5 Ų | 111.5 | 30% | 0.297 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.7 | 122.4 | 167.7 | -50.4 | 179 | 0 | 0 | 0 | 107.5 | T526 E578 K595 Q597 | T526-I576 HydrophobicContact CG2-CD1 3.7Å; I576-E578 HydrophobicContact CG2-CG 4.39Å; I576-K595 HydrophobicContact CB-CB 4.11Å; I576-K595 HydrophobicContact CD1-CB 4.2Å; I576-K595 HydrophobicContact CG1-CB 4.39Å; I576-K595 PolarHBondContact N-O 2.82Å; I576-Q597 HydrophobicContact CD1-CB 4.14Å; I576-Q597 HydrophobicContact CG1-CB 4.11Å |
| 577 | I | 54.2 | Low | 58 | Low | 150 Ų | 150 | 118.7 Ų | 118.7 | 77% | 0.769 | 59% | 0.585 | S | S | * | * | trans | -107.3 | 114 | 168.8 | -57.2 | 175.8 | 0 | 0 | 0 | 106.3 | ||||
| 578 | E | 50.4 | Low | 55.9 | Low | 117 Ų | 117 | 118.1 Ų | 118.1 | 55% | 0.547 | 60% | 0.597 | S | S | . | * | trans | -77.5 | 138.5 | 175 | -71.9 | -179.5 | -155.1 | 0 | 0 | 110.1 | I576 M580 K595 | I576-E578 HydrophobicContact CG2-CG 4.39Å; E578-M580 PolarHBondContact O-N 3.42Å; E578-K595 IonicContact OE1-NZ 3.95Å; E578-K595 PolarHBondContact OE1-NZ 2.85Å | ||
| 579 | P | 37.6 | Very low | 53.8 | Low | 121 Ų | 121 | 122.6 Ų | 122.6 | 79% | 0.786 | 62% | 0.62 | S | S | * | * | trans | -73.5 | 110.5 | -177.6 | 28.7 | -33.4 | 0 | 0 | 0 | 110.4 | R581 | P579-R581 PolarHBondContact O-N 3.2Š| ||
| 580 | M | 37.1 | Very low | 51.8 | Low | 168 Ų | 168 | 129.4 Ų | 129.4 | 83% | 0.828 | 65% | 0.652 | S | S | * | * | trans | -54.4 | 135.2 | 173.9 | -61.2 | -175.4 | 87.5 | 0 | 0 | 110.6 | E578 | E578-M580 PolarHBondContact O-N 3.42Š| ||
| 581 | R | 37.2 | Very low | 49.7 | Very low | 220 Ų | 220 | 132.5 Ų | 132.5 | 83% | 0.83 | 68% | 0.676 | S | S | * | * | trans | -86.2 | 141.7 | 172.5 | -63.9 | -176.7 | -178.5 | -174 | 1.5 | 109.3 | P579 S583 | P579-R581 PolarHBondContact O-N 3.2Å; R581-S583 PolarHBondContact O-N 3.32Å | ||
| 582 | N | 35.3 | Very low | 48.1 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 95% | 0.952 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | 48.8 | -174 | -71.7 | -13.5 | 0 | 0 | 0 | 114.2 | ||
| 583 | S | 42.6 | Very low | 47.1 | Very low | 84 Ų | 84 | 137 Ų | 137 | 59% | 0.587 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.8 | -36.4 | 175.4 | 51.5 | 0 | 0 | 0 | 0 | 113.5 | R581 L585 | R581-S583 PolarHBondContact O-N 3.32Å; S583-L585 PolarHBondContact O-N 3.36Å; S583-L585 VanDerWaalsContact O-N 3.11Å |
| 584 | D | 39 | Very low | 46.3 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 73% | 0.733 | 71% | 0.707 | S | S | * | * | trans | -99.1 | 54.8 | -158 | -58.2 | -3.9 | 0 | 0 | 0 | 112.4 | ||||
| 585 | L | 35.4 | Very low | 46.2 | Very low | 145 Ų | 145 | 134 Ų | 134 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | trans | -77.4 | 132.7 | 164 | -130.3 | 75.2 | 0 | 0 | 0 | 108.8 | S583 | S583-L585 PolarHBondContact O-N 3.36Å; S583-L585 VanDerWaalsContact O-N 3.11Å | ||
| 586 | F | 36 | Very low | 46.8 | Very low | 183 Ų | 183 | 128.1 Ų | 128.1 | 80% | 0.803 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 68.2 | 69.9 | -179 | -50.2 | -85.4 | 0 | 0 | 0 | 117 | ||
| 587 | H | 33.7 | Very low | 47.9 | Very low | 193 Ų | 193 | 128.5 Ų | 128.5 | 89% | 0.894 | 66% | 0.664 | S | S | * | * | trans | -163.2 | 152.8 | 134.2 | -100.4 | -63.3 | 0 | 0 | 0 | 112.9 | ||||
| 588 | A | 28.3 | Very low | 49.6 | Very low | 86 Ų | 86 | 121.4 Ų | 121.4 | 71% | 0.711 | 63% | 0.628 | S | S | * | * | trans | 45.2 | 103 | 163.3 | 0 | 0 | 0 | 0 | 0 | 119.4 | Q590 | A588-Q590 PolarHBondContact O-N 2.72Š| ||
| 589 | I | 32.7 | Very low | 51.5 | Low | 180 Ų | 180 | 118.6 Ų | 118.6 | 92% | 0.923 | 62% | 0.615 | S | S | * | * | trans | -75.3 | 104.7 | 160.7 | -57.7 | 172 | 0 | 0 | 0 | 108.9 | ||||
| 590 | Q | 37.8 | Very low | 53.8 | Low | 161 Ų | 161 | 113 Ų | 113 | 75% | 0.752 | 58% | 0.578 | S | S | * | * | trans | -123.7 | 145.5 | 156.4 | -70.2 | -162.1 | 6.8 | 0 | 0 | 109.5 | A588 E592 | A588-Q590 PolarHBondContact O-N 2.72Å; Q590-E592 PolarHBondContact O-N 3.47Å; Q590-E592 VanDerWaalsContact O-N 3.16Å | ||
| 591 | P | 41 | Very low | 56.1 | Low | 111 Ų | 111 | 107.1 Ų | 107.1 | 72% | 0.721 | 55% | 0.551 | S | S | * | * | trans | -75.8 | 102.7 | 176.5 | 30.4 | -32.5 | 0 | 0 | 0 | 110 | ||||
| 592 | E | 50.1 | Low | 58.3 | Low | 181 Ų | 181 | 105.5 Ų | 105.5 | 85% | 0.846 | 55% | 0.546 | S | S | * | . | trans | -58.9 | 140.7 | 174.6 | -64.4 | -171.2 | 128.7 | 0 | 0 | 111.6 | Q590 L594 | Q590-E592 PolarHBondContact O-N 3.47Å; Q590-E592 VanDerWaalsContact O-N 3.16Å; E592-L594 PolarHBondContact O-N 3.32Å | ||
| 593 | S | 57.4 | Low | 60.8 | Low | 70 Ų | 70 | 97 Ų | 97 | 49% | 0.49 | 50% | 0.5 | S | S | . | . | trans | -69.5 | 114.7 | -177.6 | 58.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 594 | L | 66.8 | Low | 62.9 | Low | 60 Ų | 60 | 97.8 Ų | 97.8 | 31% | 0.314 | 50% | 0.498 | S | S | . | . | trans | -62.2 | 137.5 | -179 | -175.1 | 77.5 | 0 | 0 | 0 | 111.6 | T530 K575 E592 L596 | T530-L594 WeakPolarHBondContact CG2-O 3.32Å; T530-L594 PolarHBondContact N-O 3.08Å; T530-L594 WeakPolarHBondContact OG1-CB 3.41Å; T530-L594 PolarHBondContact OG1-O 2.98Å; K575-L594 HydrophobicContact CB-CD1 4.38Å; K575-L594 HydrophobicContact CD-CD1 4.16Å; K575-L594 HydrophobicContact CD-CD2 3.86Å; K575-L594 HydrophobicContact CG-CD1 4.43Å; K575-L594 HydrophobicContact CG-CD2 4.09Å; E592-L594 PolarHBondContact O-N 3.32Å; L594-L596 HydrophobicContact CD2-CD2 4.09Å | ||
| 595 | K | 80.6 | Confident | 65.3 | Low | 65 Ų | 65 | 91.7 Ų | 91.7 | 28% | 0.283 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 136.2 | 173.9 | -65.5 | 175.4 | -173.6 | 172.6 | 0 | 110.6 | I527 I576 E578 | I527-K595 WeakPolarHBondContact O-CA 3.49Å; I576-K595 HydrophobicContact CB-CB 4.11Å; I576-K595 HydrophobicContact CD1-CB 4.2Å; I576-K595 HydrophobicContact CG1-CB 4.39Å; I576-K595 PolarHBondContact N-O 2.82Å; E578-K595 IonicContact OE1-NZ 3.95Å; E578-K595 PolarHBondContact OE1-NZ 2.85Å |
| 596 | L | 84.2 | Confident | 67.7 | Low | 22 Ų | 22 | 86 Ų | 86 | 12% | 0.115 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 117.6 | 178.6 | -65.6 | 177.5 | 0 | 0 | 0 | 110.8 | T526 I527 T530 Q574 K575 L594 | T526-L596 CarbonylContact C-O 3.45Å; T526-L596 WeakPolarHBondContact CA-O 3.45Å; I527-L596 HydrophobicContact CB-CB 4.21Å; I527-L596 HydrophobicContact CD1-CB 4.29Å; I527-L596 HydrophobicContact CD1-CD1 4.36Å; I527-L596 HydrophobicContact CG1-CB 4.31Å; I527-L596 PolarHBondContact N-O 2.8Å; I527-L596 PolarHBondContact O-N 3.29Å; I527-L596 VanDerWaalsContact O-N 3.08Å; T530-L596 HydrophobicContact CG2-CD1 3.71Å; T530-L596 HydrophobicContact CG2-CG 3.92Å; Q574-L596 CarbonylContact O-C 3.56Å; Q574-L596 WeakPolarHBondContact O-CA 3.19Å; K575-L596 HydrophobicContact CG-CD2 3.86Å; L594-L596 HydrophobicContact CD2-CD2 4.09Å |
| 597 | Q | 89 | Confident | 70 | Confident | 67 Ų | 67 | 80.2 Ų | 80.2 | 31% | 0.313 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 120.2 | 170.1 | -179.2 | 172.6 | 4.3 | 0 | 0 | 109.6 | C573 Q574 I576 | C573-Q597 CarbonylContact C-O 3.55Å; C573-Q597 VanDerWaalsContact CA-O 3.28Å; C573-Q597 WeakPolarHBondContact CA-O 3.49Å; Q574-Q597 PolarHBondContact N-O 3.22Å; Q574-Q597 PolarHBondContact O-N 2.78Å; I576-Q597 HydrophobicContact CD1-CB 4.14Å; I576-Q597 HydrophobicContact CG1-CB 4.11Å |
| 598 | C | 90.4 | Very high | 72.6 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.007 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 156.4 | -177.4 | -58.9 | 0 | 0 | 0 | 0 | 111.7 | S524 F525 P571 K572 C573 | S524-C598 VanDerWaalsContact CA-O 3.25Å; S524-C598 WeakPolarHBondContact CA-O 3.5Å; S524-C598 WeakPolarHBondContact CB-O 3.48Å; S524-C598 PolarHBondContact OG-O 3.42Å; F525-C598 HydrophobicContact CD2-CB 4.07Å; F525-C598 HydrophobicContact CE1-CB 4.08Å; F525-C598 HydrophobicContact CE2-CB 3.52Å; F525-C598 HydrophobicContact CZ-CB 3.52Å; F525-C598 PolarHBondContact N-O 2.79Å; F525-C598 PolarHBondContact O-N 3.41Å; P571-C598 HydrophobicContact CB-CB 4.14Å; P571-C598 HydrophobicContact CG-CB 4.34Å; K572-C598 WeakPolarHBondContact O-CA 3.12Å; C573-C598 HydrophobicContact CB-CB 4.17Å; C573-C598 WeakPolarHBondContact CB-SG 3.33Å; C573-C598 WeakPolarHBondContact SG-CB 3.47Å; C573-C598 CovalentContact SG-SG 2.04Å; C573-C598 PolarHBondContact SG-SG 3.16Å |
| 599 | E | 88.9 | Confident | 75.4 | Confident | 58 Ų | 58 | 69.6 Ų | 69.6 | 27% | 0.271 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 134.6 | 175.1 | -170.6 | -168.7 | -133.1 | 0 | 0 | 111.3 | V523 P571 K572 N601 | V523-E599 WeakPolarHBondContact O-CA 3.36Å; P571-E599 WeakPolarHBondContact CA-O 3.31Å; P571-E599 WeakPolarHBondContact CB-O 3.17Å; K572-E599 PolarHBondContact N-O 3.24Å; K572-E599 PolarHBondContact O-N 3.09Å; E599-N601 VanDerWaalsContact CD-ND2 3.27Å; E599-N601 PolarHBondContact OE2-ND2 3Å |
| 600 | V | 86.9 | Confident | 77.9 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.018 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 133.7 | 172.3 | 178.1 | 0 | 0 | 0 | 0 | 108.4 | S522 V523 F525 V544 P571 L603 | S522-V600 CarbonylContact C-O 3.56Å; S522-V600 WeakPolarHBondContact CA-O 3.38Å; S522-V600 WeakPolarHBondContact CB-O 3.32Å; V523-V600 HydrophobicContact CG1-CB 3.95Å; V523-V600 PolarHBondContact N-O 3.1Å; V523-V600 PolarHBondContact O-N 3.15Å; F525-V600 HydrophobicContact CE1-CG2 4.03Å; V544-V600 HydrophobicContact CB-CG2 4.18Å; V544-V600 HydrophobicContact CG1-CG2 4.17Å; V544-V600 HydrophobicContact CG2-CG2 3.9Å; P571-V600 HydrophobicContact CB-CG2 4.07Å; V600-L603 HydrophobicContact CG1-CD2 4.22Å; V600-L603 HydrophobicContact CG1-CG 4.46Å |
| 601 | N | 85.4 | Confident | 80.2 | Confident | 45 Ų | 45 | 54 Ų | 54 | 24% | 0.241 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 169.1 | -174.1 | -76.2 | -76 | 0 | 0 | 0 | 112.2 | R521 S522 E599 | R521-N601 CarbonylContact O-C 3.45Å; S522-N601 WeakPolarHBondContact CB-OD1 3.46Å; E599-N601 VanDerWaalsContact CD-ND2 3.27Å; E599-N601 PolarHBondContact OE2-ND2 3Å |
| 602 | Y | 82.4 | Confident | 82.4 | Confident | 185 Ų | 185 | 49.9 Ų | 49.9 | 73% | 0.725 | 24% | 0.242 | S | C | * | . | trans | 67.4 | 31.4 | 177.3 | -47.7 | -79.7 | 0 | 0 | 0 | 115.4 | R521 P742 | R521-Y602 PolarHBondContact O-N 3.04Å; Y602-P742 HydrophobicContact CD2-CG 4.34Å | ||
| 603 | L | 87.7 | Confident | 84.3 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -76.2 | 162 | 171.9 | -57.4 | -178.9 | 0 | 0 | 0 | 111.9 | R521 V523 Y546 V600 Y609 F631 T633 | R521-L603 WeakPolarHBondContact CG-O 3.38Å; R521-L603 PolarHBondContact O-N 3.11Å; V523-L603 HydrophobicContact CG1-CD1 4.05Å; Y546-L603 HydrophobicContact CD2-CD2 3.97Å; Y546-L603 HydrophobicContact CE2-CD2 3.53Å; V600-L603 HydrophobicContact CG1-CD2 4.22Å; V600-L603 HydrophobicContact CG1-CG 4.46Å; L603-Y609 HydrophobicContact CB-CE2 4.1Å; L603-Y609 HydrophobicContact CD1-CE2 4.37Å; L603-Y609 HydrophobicContact CD2-CE1 4.39Å; L603-F631 HydrophobicContact CD1-CE2 3.56Å; L603-F631 HydrophobicContact CD1-CZ 3.72Å; L603-T633 HydrophobicContact CB-CG2 3.99Å; L603-T633 HydrophobicContact CD1-CG2 4.1Å |
| 604 | N | 87.6 | Confident | 85.6 | Confident | 99 Ų | 99 | 38.5 Ų | 38.5 | 53% | 0.529 | 18% | 0.181 | S | C | . | . | P | Polyproline II helix | trans | -82.7 | 137.5 | 174.3 | -68.7 | -16.4 | 0 | 0 | 0 | 110.2 | Q607 Y609 T633 | N604-Q607 HydrophobicContact CB-CB 4.34Å; N604-Y609 WeakPolarHBondContact CB-OH 3.09Å; N604-Y609 PolarHBondContact N-OH 2.64Å; N604-T633 PolarHBondContact O-OG1 3.09Å |
| 605 | P | 88.6 | Confident | 86.4 | Confident | 10 Ų | 10 | 35.9 Ų | 35.9 | 7% | 0.065 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 156.2 | 175.2 | -24.7 | 35.1 | 0 | 0 | 0 | 115 | Q520 R521 Q607 K634 D636 N665 | Q520-P605 HydrophobicContact CB-CB 4.45Å; Q520-P605 HydrophobicContact CB-CG 4.39Å; Q520-P605 VanDerWaalsContact O-CA 3.26Å; Q520-P605 WeakPolarHBondContact O-CA 3.27Å; R521-P605 HydrophobicContact CG-CG 4.07Å; P605-Q607 PolarHBondContact O-N 3.41Å; P605-K634 WeakPolarHBondContact CA-O 3.3Å; P605-K634 WeakPolarHBondContact CB-O 3.17Å; P605-D636 HydrophobicContact CB-CB 3.41Å; P605-D636 VanDerWaalsContact CB-CB 3.41Å; P605-D636 HydrophobicContact CG-CB 3.32Å; P605-N665 HydrophobicContact CB-CB 4.19Å |
| 606 | A | 86.9 | Confident | 86.3 | Confident | 25 Ų | 25 | 36.7 Ų | 36.7 | 21% | 0.207 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.3 | 1.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q632 T633 K634 Q635 N665 | A606-Q632 PolarHBondContact O-NE2 3.14Å; A606-T633 VanDerWaalsContact CA-O 3.25Å; A606-T633 WeakPolarHBondContact CA-O 3.39Å; A606-T633 PolarHBondContact N-O 3.11Å; A606-T633 PolarHBondContact N-OG1 3.35Å; A606-K634 PolarHBondContact N-O 3.07Å; A606-Q635 HydrophobicContact CB-CG 4.16Å; A606-N665 WeakPolarHBondContact CB-O 3.36Å |
| 607 | Q | 84.9 | Confident | 85.8 | Confident | 62 Ų | 62 | 36.4 Ų | 36.4 | 29% | 0.29 | 17% | 0.168 | S | C | . | . | trans | -88.5 | 139.7 | -169.2 | -175.2 | 57.7 | 57.7 | 0 | 0 | 112 | I549 N604 P605 Y609 Q632 T633 | I549-Q607 PolarHBondContact O-NE2 3.04Å; I549-Q607 VanDerWaalsContact O-NE2 3.09Å; N604-Q607 HydrophobicContact CB-CB 4.34Å; P605-Q607 PolarHBondContact O-N 3.41Å; Q607-Y609 HydrophobicContact CB-CD2 4.43Å; Q607-Y609 HydrophobicContact CB-CE2 3.72Å; Q607-Y609 HydrophobicContact CG-CD2 4.38Å; Q607-Y609 HydrophobicContact CG-CE1 4.31Å; Q607-Y609 HydrophobicContact CG-CE2 3.82Å; Q607-Y609 WeakPolarHBondContact O-CD2 3.48Å; Q607-Q632 WeakPolarHBondContact O-CA 2.96Å; Q607-T633 PolarHBondContact N-OG1 3.4Å; Q607-T633 PolarHBondContact O-N 2.92Å; Q607-T633 VanDerWaalsContact O-N 3.07Å; Q607-T633 PolarHBondContact O-OG1 3.43Å | ||
| 608 | R | 86.4 | Confident | 84.7 | Confident | 45 Ų | 45 | 38.2 Ų | 38.2 | 17% | 0.17 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 135.6 | 172.1 | -165.6 | 171.2 | 71.3 | 140.2 | -4.5 | 110.4 | I549 G550 L551 E553 E555 | I549-R608 HydrophobicContact CB-CG 4.5Å; I549-R608 HydrophobicContact CD1-CG 4.04Å; I549-R608 HydrophobicContact CG1-CG 4.5Å; I549-R608 PolarHBondContact N-O 2.75Å; G550-R608 PolarHBondContact O-NE 2.79Å; G550-R608 PolarHBondContact O-NH2 3.24Å; L551-R608 PolarHBondContact O-NH2 3.48Å; E553-R608 PolarHBondContact O-NH2 3.08Å; E555-R608 IonicContact OE1-NH1 3.55Å |
| 609 | Y | 87.4 | Confident | 83.3 | Confident | 11 Ų | 11 | 44 Ų | 44 | 4% | 0.043 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143.3 | -175.9 | -71.7 | -79.7 | 0 | 0 | 0 | 112.3 | Y546 R547 L603 N604 Q607 T630 F631 T633 | Y546-Y609 AromaticContact CD2-CD1 3.93Å; Y546-Y609 HydrophobicContact CD2-CD1 3.93Å; Y546-Y609 HydrophobicContact CD2-CE1 4Å; Y546-Y609 HydrophobicContact CE2-CE1 4.27Å; R547-Y609 WeakPolarHBondContact O-CA 3.29Å; R547-Y609 WeakPolarHBondContact O-CD1 3.34Å; L603-Y609 HydrophobicContact CB-CE2 4.1Å; L603-Y609 HydrophobicContact CD1-CE2 4.37Å; L603-Y609 HydrophobicContact CD2-CE1 4.39Å; N604-Y609 WeakPolarHBondContact CB-OH 3.09Å; N604-Y609 PolarHBondContact N-OH 2.64Å; Q607-Y609 HydrophobicContact CB-CD2 4.43Å; Q607-Y609 HydrophobicContact CB-CE2 3.72Å; Q607-Y609 HydrophobicContact CG-CD2 4.38Å; Q607-Y609 HydrophobicContact CG-CE1 4.31Å; Q607-Y609 HydrophobicContact CG-CE2 3.82Å; Q607-Y609 WeakPolarHBondContact O-CD2 3.48Å; Y609-T630 WeakPolarHBondContact O-CA 3.04Å; Y609-F631 HydrophobicContact CD2-CD2 4.42Å; Y609-F631 AromaticContact CD2-CE2 3.76Å; Y609-F631 HydrophobicContact CD2-CE2 3.76Å; Y609-F631 HydrophobicContact CD2-CZ 4.07Å; Y609-F631 HydrophobicContact CG-CE2 4.09Å; Y609-F631 AromaticContact CG-CZ 3.93Å; Y609-F631 HydrophobicContact CG-CZ 3.93Å; Y609-F631 PolarHBondContact N-O 2.89Å; Y609-F631 PolarHBondContact O-N 3.09Å; Y609-T633 HydrophobicContact CD2-CG2 4.25Å; Y609-T633 HydrophobicContact CE2-CG2 3.94Å |
| 610 | Q | 84.8 | Confident | 82 | Confident | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.056 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 138.4 | 162.7 | -110.6 | 168.5 | 10.3 | 0 | 0 | 107.6 | Y546 R547 I549 W566 V628 T630 | Y546-Q610 CarbonylContact C-O 3.53Å; Y546-Q610 WeakPolarHBondContact CA-O 3.45Å; R547-Q610 HydrophobicContact CG-CB 4Å; R547-Q610 PolarHBondContact N-O 3.15Å; R547-Q610 PolarHBondContact O-N 2.96Å; I549-Q610 HydrophobicContact CD1-CB 3.82Å; I549-Q610 HydrophobicContact CD1-CG 3.51Å; I549-Q610 HydrophobicContact CG1-CB 3.93Å; I549-Q610 HydrophobicContact CG1-CG 4.11Å; W566-Q610 HydrophobicContact CH2-CB 4.05Å; W566-Q610 HydrophobicContact CZ3-CB 4.17Å; W566-Q610 WeakPolarHBondContact CZ3-O 3.39Å; Q610-V628 HydrophobicContact CB-CG1 4.27Å; Q610-V628 HydrophobicContact CG-CG1 3.79Å; Q610-T630 HydrophobicContact CG-CG2 3.73Å |
| 611 | A | 87.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 156.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V544 Y545 V628 F629 F631 | V544-A611 HydrophobicContact CG1-CB 4.37Å; Y545-A611 CarbonylContact O-C 3.57Å; Y545-A611 WeakPolarHBondContact O-CA 3.24Å; Y545-A611 WeakPolarHBondContact O-CB 3.45Å; A611-V628 CarbonylContact O-C 3.57Å; A611-V628 VanDerWaalsContact O-CA 3.31Å; A611-V628 WeakPolarHBondContact O-CA 3.31Å; A611-F629 HydrophobicContact CB-CD1 4.44Å; A611-F629 HydrophobicContact CB-CD2 4.41Å; A611-F629 HydrophobicContact CB-CE1 3.88Å; A611-F629 HydrophobicContact CB-CE2 3.86Å; A611-F629 HydrophobicContact CB-CZ 3.56Å; A611-F629 PolarHBondContact N-O 2.96Å; A611-F629 WeakPolarHBondContact O-CD1 3.38Å; A611-F629 WeakPolarHBondContact O-CE1 3.48Å; A611-F629 PolarHBondContact O-N 3.22Å; A611-F631 HydrophobicContact CB-CE1 3.95Å |
| 612 | Y | 87.6 | Confident | 80.7 | Confident | 26 Ų | 26 | 47.7 Ų | 47.7 | 10% | 0.102 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 157.1 | 166.7 | 70.5 | -99.3 | 0 | 0 | 0 | 111.2 | V544 Y545 W566 E614 L625 V628 | V544-Y612 WeakPolarHBondContact CA-O 3.27Å; Y545-Y612 VanDerWaalsContact CB-CZ 3.46Å; Y545-Y612 HydrophobicContact CD1-CE2 4.43Å; Y545-Y612 AromaticContact CD1-CZ 3.89Å; Y545-Y612 WeakPolarHBondContact CD1-OH 3.29Å; Y545-Y612 AromaticContact CD2-CD2 3.96Å; Y545-Y612 HydrophobicContact CD2-CD2 3.96Å; Y545-Y612 HydrophobicContact CD2-CE1 4.45Å; Y545-Y612 AromaticContact CD2-CE2 3.25Å; Y545-Y612 HydrophobicContact CD2-CE2 3.25Å; Y545-Y612 AromaticContact CD2-CZ 3.55Å; Y545-Y612 AromaticContact CE2-CE2 3.85Å; Y545-Y612 HydrophobicContact CE2-CE2 3.85Å; Y545-Y612 HydrophobicContact CG-CD2 4.38Å; Y545-Y612 AromaticContact CG-CE1 3.96Å; Y545-Y612 HydrophobicContact CG-CE1 3.96Å; Y545-Y612 AromaticContact CG-CE2 3.6Å; Y545-Y612 HydrophobicContact CG-CE2 3.6Å; Y545-Y612 AromaticContact CG-CZ 3.35Å; Y545-Y612 VanDerWaalsContact CG-OH 3.3Å; Y545-Y612 PolarHBondContact N-O 2.79Å; Y545-Y612 PolarHBondContact O-N 3.39Å; W566-Y612 HydrophobicContact CD2-CE1 4.03Å; W566-Y612 HydrophobicContact CE3-CD1 4.18Å; W566-Y612 HydrophobicContact CE3-CE1 4.09Å; W566-Y612 HydrophobicContact CH2-CD1 4.05Å; W566-Y612 HydrophobicContact CH2-CE1 4.38Å; W566-Y612 HydrophobicContact CZ2-CD1 4.39Å; W566-Y612 HydrophobicContact CZ2-CE1 4.32Å; W566-Y612 AromaticContact CZ3-CD1 3.93Å; W566-Y612 HydrophobicContact CZ3-CD1 3.93Å; W566-Y612 HydrophobicContact CZ3-CE1 4.26Å; Y612-E614 HydrophobicContact CE2-CB 4.46Å; Y612-L625 HydrophobicContact CD2-CD1 3.66Å; Y612-L625 HydrophobicContact CE2-CD1 3.75Å; Y612-V628 HydrophobicContact CD1-CG2 4.44Å |
| 613 | V | 88.5 | Confident | 80.6 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 135.5 | 178.8 | 178.2 | 0 | 0 | 0 | 0 | 110 | L511 L513 F525 I527 T542 T543 V544 L625 S626 F629 | L511-V613 HydrophobicContact CD1-CB 4.33Å; L511-V613 HydrophobicContact CD1-CG1 3.82Å; L513-V613 HydrophobicContact CD1-CB 4.19Å; L513-V613 HydrophobicContact CD1-CG2 3.6Å; L513-V613 HydrophobicContact CD2-CB 4.44Å; L513-V613 HydrophobicContact CD2-CG2 4.1Å; F525-V613 HydrophobicContact CD2-CG2 4.42Å; F525-V613 HydrophobicContact CE2-CG2 3.58Å; F525-V613 HydrophobicContact CZ-CG2 3.64Å; I527-V613 HydrophobicContact CD1-CG1 4.04Å; T542-V613 HydrophobicContact CG2-CG1 3.48Å; T542-V613 VanDerWaalsContact CG2-CG1 3.48Å; T543-V613 CarbonylContact O-C 3.59Å; T543-V613 WeakPolarHBondContact O-CA 3.45Å; V544-V613 HydrophobicContact CG2-CG2 4.09Å; V613-L625 CarbonylContact O-C 3.47Å; V613-L625 WeakPolarHBondContact O-CA 3.21Å; V613-S626 PolarHBondContact N-OG 3.29Å; V613-S626 PolarHBondContact O-N 2.78Å; V613-F629 HydrophobicContact CG2-CE1 4.22Å |
| 614 | E | 85.3 | Confident | 80.5 | Confident | 12 Ų | 12 | 38.8 Ų | 38.8 | 6% | 0.056 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 142.4 | 173.7 | -163.8 | -176 | -167.8 | 0 | 0 | 110.2 | L505 T543 Y545 Y612 R616 A624 L625 | L505-E614 HydrophobicContact CD1-CG 3.51Å; L505-E614 WeakPolarHBondContact CD1-OE1 3.32Å; L505-E614 WeakPolarHBondContact CG-OE1 3.31Å; T543-E614 PolarHBondContact N-O 3.34Å; T543-E614 PolarHBondContact O-N 3.17Å; Y545-E614 HydrophobicContact CD2-CB 4.34Å; Y545-E614 HydrophobicContact CE2-CB 3.81Å; Y545-E614 WeakPolarHBondContact CE2-OE2 3.32Å; Y545-E614 PolarHBondContact OH-OE2 2.86Å; Y612-E614 HydrophobicContact CE2-CB 4.46Å; E614-R616 VanDerWaalsContact CD-NE 3.26Å; E614-R616 HydrophobicContact CG-CG 4.26Å; E614-R616 IonicContact OE1-CZ 3.96Å; E614-R616 IonicContact OE1-NE 3.79Å; E614-R616 PolarHBondContact OE1-NE 3.49Å; E614-R616 IonicContact OE1-NH2 2.94Å; E614-R616 PolarHBondContact OE1-NH2 3.14Å; E614-R616 IonicContact OE2-CZ 2.66Å; E614-R616 VanDerWaalsContact OE2-CZ 3.25Å; E614-R616 IonicContact OE2-NE 2.66Å; E614-R616 PolarHBondContact OE2-NE 2.99Å; E614-R616 IonicContact OE2-NH2 2.69Å; E614-R616 PolarHBondContact OE2-NH2 3.27Å; E614-A624 CarbonylContact C-O 3.38Å; E614-A624 WeakPolarHBondContact CA-O 3.48Å; E614-L625 HydrophobicContact CB-CD1 4.08Å; E614-L625 HydrophobicContact CG-CD1 4.01Å |
| 615 | I | 84.4 | Confident | 80.4 | Confident | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 133.7 | 166.6 | -57.2 | 174 | 0 | 0 | 0 | 106.6 | L511 I527 W533 V539 T542 G623 A624 | L511-I615 HydrophobicContact CD1-CD1 3.92Å; L511-I615 HydrophobicContact CD1-CG1 4.06Å; L511-I615 HydrophobicContact CD2-CD1 4.31Å; I527-I615 HydrophobicContact CD1-CD1 4.35Å; W533-I615 HydrophobicContact CH2-CB 4.16Å; W533-I615 HydrophobicContact CH2-CD1 4.41Å; W533-I615 HydrophobicContact CH2-CG2 3.6Å; W533-I615 HydrophobicContact CZ2-CG2 4.24Å; W533-I615 HydrophobicContact CZ3-CG2 4.19Å; V539-I615 HydrophobicContact CG1-CG2 3.54Å; T542-I615 HydrophobicContact CG2-CG1 4.21Å; I615-G623 CarbonylContact O-C 3.57Å; I615-G623 WeakPolarHBondContact O-CA 3.33Å; I615-A624 HydrophobicContact CB-CB 4.41Å; I615-A624 PolarHBondContact N-O 3Å; I615-A624 PolarHBondContact O-N 2.87Å |
| 616 | R | 78.4 | Confident | 80.5 | Confident | 83 Ų | 83 | 37.2 Ų | 37.2 | 31% | 0.313 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 157.3 | -179 | -67.6 | -176.2 | 177.4 | 149.2 | 6 | 111.4 | L505 L540 Y545 E614 | L505-R616 HydrophobicContact CD2-CG 3.98Å; L505-R616 HydrophobicContact CG-CG 4.28Å; L540-R616 HydrophobicContact CB-CB 4.4Å; L540-R616 WeakPolarHBondContact CB-O 3.37Å; L540-R616 HydrophobicContact CD1-CB 4.02Å; L540-R616 PolarHBondContact N-O 3.3Å; Y545-R616 PolarHBondContact OH-NH2 3.34Å; E614-R616 VanDerWaalsContact CD-NE 3.26Å; E614-R616 HydrophobicContact CG-CG 4.26Å; E614-R616 IonicContact OE1-CZ 3.96Å; E614-R616 IonicContact OE1-NE 3.79Å; E614-R616 PolarHBondContact OE1-NE 3.49Å; E614-R616 IonicContact OE1-NH2 2.94Å; E614-R616 PolarHBondContact OE1-NH2 3.14Å; E614-R616 IonicContact OE2-CZ 2.66Å; E614-R616 VanDerWaalsContact OE2-CZ 3.25Å; E614-R616 IonicContact OE2-NE 2.66Å; E614-R616 PolarHBondContact OE2-NE 2.99Å; E614-R616 IonicContact OE2-NH2 2.69Å; E614-R616 PolarHBondContact OE2-NH2 3.27Å |
| 617 | T | 74 | Confident | 80.3 | Confident | 16 Ų | 16 | 41.6 Ų | 41.6 | 10% | 0.098 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -102.7 | 151 | 161.8 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | W533 Q538 V539 F619 E622 | W533-T617 HydrophobicContact CD2-CG2 4.43Å; W533-T617 HydrophobicContact CG-CG2 4.14Å; Q538-T617 CarbonylContact O-C 3.46Å; Q538-T617 WeakPolarHBondContact O-CA 3.19Å; V539-T617 HydrophobicContact CG2-CG2 4.39Å; T617-F619 WeakPolarHBondContact CB-O 3.35Å; T617-F619 PolarHBondContact O-N 3.41Å; T617-F619 PolarHBondContact OG1-O 3.08Å; T617-E622 HydrophobicContact CG2-CB 4.41Å; T617-E622 PolarHBondContact N-O 3.47Å; T617-E622 WeakPolarHBondContact OG1-CB 3.37Å; T617-E622 PolarHBondContact OG1-N 2.91Å; T617-E622 PolarHBondContact OG1-O 2.68Å |
| 618 | M | 65.3 | Low | 80.2 | Confident | 104 Ų | 104 | 41.4 Ų | 41.4 | 51% | 0.512 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -67.7 | -19.9 | 176.3 | -66.8 | -155.4 | -62.7 | 0 | 0 | 113.5 | Q538 L540 | Q538-M618 PolarHBondContact O-N 2.64Å; L540-M618 HydrophobicContact CD1-CG 4.32Å; L540-M618 HydrophobicContact CD2-CG 3.67Å; L540-M618 HydrophobicContact CD2-SD 4.16Å; L540-M618 HydrophobicContact CG-CG 3.85Å |
| 619 | F | 61.3 | Low | 80.2 | Confident | 122 Ų | 122 | 40.9 Ų | 40.9 | 54% | 0.535 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -133.8 | 166.7 | -178.9 | -53.9 | -70.2 | 0 | 0 | 0 | 110.2 | Q538 T617 S621 | Q538-F619 HydrophobicContact CB-CD2 4.48Å; Q538-F619 HydrophobicContact CG-CD2 4.04Å; T617-F619 WeakPolarHBondContact CB-O 3.35Å; T617-F619 PolarHBondContact O-N 3.41Å; T617-F619 PolarHBondContact OG1-O 3.08Å; F619-S621 PolarHBondContact O-N 2.63Å; F619-S621 VanDerWaalsContact O-N 3.13Å |
| 620 | N | 61.7 | Low | 80.3 | Confident | 104 Ų | 104 | 43 Ų | 43 | 56% | 0.556 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | -4.7 | 178.3 | -51.9 | -14.8 | 0 | 0 | 0 | 118.4 | E622 | N620-E622 HydrophobicContact CB-CB 4.31Å; N620-E622 HydrophobicContact CB-CG 4.01Å; N620-E622 WeakPolarHBondContact CB-OE2 3.41Å; N620-E622 PolarHBondContact ND2-OE2 2.64Å; N620-E622 VanDerWaalsContact ND2-OE2 3.08Å; N620-E622 PolarHBondContact O-N 2.9Å |
| 621 | S | 68.5 | Low | 80.6 | Confident | 41 Ų | 41 | 43.3 Ų | 43.3 | 29% | 0.287 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 33.4 | -175.3 | -47.6 | 0 | 0 | 0 | 0 | 112.8 | G501 G504 C506 R507 F619 | G501-S621 PolarHBondContact O-OG 2.85Å; G504-S621 WeakPolarHBondContact O-CB 3.41Å; C506-S621 PolarHBondContact N-O 3.44Å; R507-S621 PolarHBondContact N-O 2.01Å; R507-S621 VanDerWaalsContact N-O 3.12Å; F619-S621 PolarHBondContact O-N 2.63Å; F619-S621 VanDerWaalsContact O-N 3.13Å |
| 622 | E | 76.2 | Confident | 80.7 | Confident | 39 Ų | 39 | 48.5 Ų | 48.5 | 18% | 0.182 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 158.9 | -180 | -83.2 | 162.6 | 179 | 0 | 0 | 110.9 | L505 R507 T617 N620 | L505-E622 WeakPolarHBondContact CD2-O 3.42Å; R507-E622 HydrophobicContact CB-CB 4.44Å; R507-E622 HydrophobicContact CB-CG 3.55Å; R507-E622 WeakPolarHBondContact CD-OE1 3.47Å; R507-E622 HydrophobicContact CG-CG 4.21Å; R507-E622 IonicContact CZ-OE1 3.49Å; R507-E622 IonicContact NE-OE1 2.73Å; R507-E622 IonicContact NH1-OE1 3.4Å; R507-E622 PolarHBondContact NH1-OE1 3.42Å; T617-E622 HydrophobicContact CG2-CB 4.41Å; T617-E622 PolarHBondContact N-O 3.47Å; T617-E622 WeakPolarHBondContact OG1-CB 3.37Å; T617-E622 PolarHBondContact OG1-N 2.91Å; T617-E622 PolarHBondContact OG1-O 2.68Å; N620-E622 HydrophobicContact CB-CB 4.31Å; N620-E622 HydrophobicContact CB-CG 4.01Å; N620-E622 WeakPolarHBondContact CB-OE2 3.41Å; N620-E622 PolarHBondContact ND2-OE2 2.64Å; N620-E622 VanDerWaalsContact ND2-OE2 3.08Å; N620-E622 PolarHBondContact O-N 2.9Å |
| 623 | G | 79.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 167.7 | -162.1 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | R507 H509 I615 | R507-G623 PolarHBondContact O-N 3.49Å; H509-G623 PolarHBondContact CD2-O 3.14Å; H509-G623 PolarHBondContact N-O 2.92Å; I615-G623 CarbonylContact O-C 3.57Å; I615-G623 WeakPolarHBondContact O-CA 3.33Å |
| 624 | A | 84.6 | Confident | 81 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 146.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | H509 L511 P531 W533 E614 I615 | H509-A624 HydrophobicContact CB-CB 4.04Å; H509-A624 CarbonylContact O-C 3.57Å; H509-A624 WeakPolarHBondContact O-CA 3.48Å; L511-A624 HydrophobicContact CD1-CB 3.98Å; L511-A624 HydrophobicContact CD2-CB 3.53Å; L511-A624 HydrophobicContact CG-CB 3.6Å; P531-A624 HydrophobicContact CG-CB 4Å; W533-A624 HydrophobicContact CH2-CB 4.19Å; W533-A624 HydrophobicContact CZ2-CB 4.14Å; E614-A624 CarbonylContact C-O 3.38Å; E614-A624 WeakPolarHBondContact CA-O 3.48Å; I615-A624 HydrophobicContact CB-CB 4.41Å; I615-A624 PolarHBondContact N-O 3Å; I615-A624 PolarHBondContact O-N 2.87Å |
| 625 | L | 86.9 | Confident | 81.1 | Confident | 66 Ų | 66 | 52.4 Ų | 52.4 | 35% | 0.346 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 137.7 | -175.5 | -166.9 | 75.6 | 0 | 0 | 0 | 109.7 | H509 R510 L511 Y612 V613 E614 | H509-L625 PolarHBondContact O-N 3.19Å; R510-L625 WeakPolarHBondContact CA-O 3.49Å; L511-L625 PolarHBondContact N-O 3.22Å; Y612-L625 HydrophobicContact CD2-CD1 3.66Å; Y612-L625 HydrophobicContact CE2-CD1 3.75Å; V613-L625 CarbonylContact O-C 3.47Å; V613-L625 WeakPolarHBondContact O-CA 3.21Å; E614-L625 HydrophobicContact CB-CD1 4.08Å; E614-L625 HydrophobicContact CG-CD1 4.01Å |
| 626 | S | 89.1 | Confident | 81.1 | Confident | 9 Ų | 9 | 54 Ų | 54 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 166 | 170.2 | 76.4 | 0 | 0 | 0 | 0 | 112.1 | L511 V613 | L511-S626 WeakPolarHBondContact O-CA 3.08Å; V613-S626 PolarHBondContact N-OG 3.29Å; V613-S626 PolarHBondContact O-N 2.78Å |
| 627 | E | 84.2 | Confident | 81.4 | Confident | 117 Ų | 117 | 53.7 Ų | 53.7 | 55% | 0.547 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 159.8 | 155.6 | -74.8 | 175.9 | 158 | 0 | 0 | 110.5 | R510 | R510-E627 VanDerWaalsContact CZ-CD 3.42Å; R510-E627 IonicContact CZ-OE1 2.76Å; R510-E627 VanDerWaalsContact CZ-OE1 3.23Å; R510-E627 IonicContact CZ-OE2 2.68Å; R510-E627 VanDerWaalsContact NH1-CD 3.29Å; R510-E627 IonicContact NH1-OE1 2.71Å; R510-E627 PolarHBondContact NH1-OE1 3.32Å; R510-E627 IonicContact NH1-OE2 3.24Å; R510-E627 IonicContact NH2-OE1 2.85Å; R510-E627 PolarHBondContact NH2-OE1 3.49Å; R510-E627 VanDerWaalsContact NH2-OE1 3.11Å; R510-E627 IonicContact NH2-OE2 3.34Å; R510-E627 PolarHBondContact NH2-OE2 3.14Å |
| 628 | V | 82.4 | Confident | 82.1 | Confident | 59 Ų | 59 | 53.1 Ų | 53.1 | 36% | 0.358 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 127.6 | 173.8 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | W566 Q610 A611 Y612 | W566-V628 HydrophobicContact CH2-CG1 4.19Å; Q610-V628 HydrophobicContact CB-CG1 4.27Å; Q610-V628 HydrophobicContact CG-CG1 3.79Å; A611-V628 CarbonylContact O-C 3.57Å; A611-V628 VanDerWaalsContact O-CA 3.31Å; A611-V628 WeakPolarHBondContact O-CA 3.31Å; Y612-V628 HydrophobicContact CD1-CG2 4.44Å |
| 629 | F | 87.2 | Confident | 83.2 | Confident | 33 Ų | 33 | 49.6 Ų | 49.6 | 15% | 0.145 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 152.2 | 176.2 | 62.5 | -82.5 | 0 | 0 | 0 | 110.8 | L513 I515 F525 A611 V613 F631 | L513-F629 HydrophobicContact CD1-CD1 3.61Å; L513-F629 HydrophobicContact CD1-CE1 3.44Å; L513-F629 VanDerWaalsContact CD1-CE1 3.44Å; L513-F629 HydrophobicContact CD1-CZ 4.28Å; I515-F629 HydrophobicContact CD1-CD2 4.12Å; I515-F629 HydrophobicContact CG1-CD2 4.44Å; F525-F629 HydrophobicContact CD1-CZ 4.48Å; A611-F629 HydrophobicContact CB-CD1 4.44Å; A611-F629 HydrophobicContact CB-CD2 4.41Å; A611-F629 HydrophobicContact CB-CE1 3.88Å; A611-F629 HydrophobicContact CB-CE2 3.86Å; A611-F629 HydrophobicContact CB-CZ 3.56Å; A611-F629 PolarHBondContact N-O 2.96Å; A611-F629 WeakPolarHBondContact O-CD1 3.38Å; A611-F629 WeakPolarHBondContact O-CE1 3.48Å; A611-F629 PolarHBondContact O-N 3.22Å; V613-F629 HydrophobicContact CG2-CE1 4.22Å; F629-F631 HydrophobicContact CD2-CD1 4.07Å; F629-F631 AromaticContact CE2-CD1 3.89Å; F629-F631 HydrophobicContact CE2-CD1 3.89Å; F629-F631 HydrophobicContact CE2-CE1 4.09Å |
| 630 | T | 88.3 | Confident | 84.4 | Confident | 56 Ų | 56 | 45.4 Ų | 45.4 | 34% | 0.344 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 146.5 | 178.5 | 63 | 0 | 0 | 0 | 0 | 111 | I549 E555 Y609 Q610 | I549-T630 HydrophobicContact CD1-CG2 4.25Å; E555-T630 WeakPolarHBondContact OE1-CB 3.32Å; E555-T630 VanDerWaalsContact OE1-CG2 3.28Å; E555-T630 WeakPolarHBondContact OE1-CG2 2.96Å; E555-T630 PolarHBondContact OE1-OG1 3.35Å; Y609-T630 WeakPolarHBondContact O-CA 3.04Å; Q610-T630 HydrophobicContact CG-CG2 3.73Å |
| 631 | F | 90.7 | Very high | 85.6 | Confident | 18 Ų | 18 | 40.6 Ų | 40.6 | 8% | 0.079 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 162.3 | 175.1 | 67.8 | -86.7 | 0 | 0 | 0 | 111 | I515 V518 V523 L603 Y609 A611 F629 T633 | I515-F631 HydrophobicContact CD1-CB 4.13Å; V518-F631 HydrophobicContact CG1-CD2 4.16Å; V523-F631 HydrophobicContact CB-CD2 4.31Å; V523-F631 HydrophobicContact CB-CE2 4.05Å; V523-F631 HydrophobicContact CB-CZ 4.39Å; V523-F631 HydrophobicContact CG1-CD2 4.47Å; V523-F631 HydrophobicContact CG1-CE1 4.25Å; V523-F631 HydrophobicContact CG1-CE2 3.81Å; V523-F631 HydrophobicContact CG1-CZ 3.69Å; V523-F631 HydrophobicContact CG2-CD2 4.44Å; L603-F631 HydrophobicContact CD1-CE2 3.56Å; L603-F631 HydrophobicContact CD1-CZ 3.72Å; Y609-F631 HydrophobicContact CD2-CD2 4.42Å; Y609-F631 AromaticContact CD2-CE2 3.76Å; Y609-F631 HydrophobicContact CD2-CE2 3.76Å; Y609-F631 HydrophobicContact CD2-CZ 4.07Å; Y609-F631 HydrophobicContact CG-CE2 4.09Å; Y609-F631 AromaticContact CG-CZ 3.93Å; Y609-F631 HydrophobicContact CG-CZ 3.93Å; Y609-F631 PolarHBondContact N-O 2.89Å; Y609-F631 PolarHBondContact O-N 3.09Å; A611-F631 HydrophobicContact CB-CE1 3.95Å; F629-F631 HydrophobicContact CD2-CD1 4.07Å; F629-F631 AromaticContact CE2-CD1 3.89Å; F629-F631 HydrophobicContact CE2-CD1 3.89Å; F629-F631 HydrophobicContact CE2-CE1 4.09Å; F631-T633 HydrophobicContact CE2-CG2 4.38Å |
| 632 | Q | 89.9 | Confident | 86.5 | Confident | 110 Ų | 110 | 41.1 Ų | 41.1 | 51% | 0.514 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 131.3 | 176.2 | -175.2 | 174.7 | 7.9 | 0 | 0 | 109.9 | V518 A606 Q607 | V518-Q632 WeakPolarHBondContact CG1-O 3.21Å; A606-Q632 PolarHBondContact O-NE2 3.14Å; Q607-Q632 WeakPolarHBondContact O-CA 2.96Å |
| 633 | T | 91.7 | Very high | 86.9 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -74.7 | 152 | 174.3 | 49.5 | 0 | 0 | 0 | 0 | 111.5 | V518 H519 Q520 L603 N604 A606 Q607 Y609 F631 | V518-T633 HydrophobicContact CG1-CG2 4.46Å; H519-T633 WeakPolarHBondContact O-CA 3.3Å; H519-T633 WeakPolarHBondContact O-CB 3.43Å; Q520-T633 WeakPolarHBondContact O-CB 3.47Å; L603-T633 HydrophobicContact CB-CG2 3.99Å; L603-T633 HydrophobicContact CD1-CG2 4.1Å; N604-T633 PolarHBondContact O-OG1 3.09Å; A606-T633 VanDerWaalsContact CA-O 3.25Å; A606-T633 WeakPolarHBondContact CA-O 3.39Å; A606-T633 PolarHBondContact N-O 3.11Å; A606-T633 PolarHBondContact N-OG1 3.35Å; Q607-T633 PolarHBondContact N-OG1 3.4Å; Q607-T633 PolarHBondContact O-N 2.92Å; Q607-T633 VanDerWaalsContact O-N 3.07Å; Q607-T633 PolarHBondContact O-OG1 3.43Å; Y609-T633 HydrophobicContact CD2-CG2 4.25Å; Y609-T633 HydrophobicContact CE2-CG2 3.94Å; F631-T633 HydrophobicContact CE2-CG2 4.38Å |
| 634 | K | 90.3 | Very high | 87.4 | Confident | 52 Ų | 52 | 44.1 Ų | 44.1 | 23% | 0.226 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -72.7 | 164.5 | 178.5 | -66.6 | 179.1 | 176.6 | 168.1 | 0 | 112.6 | V518 H519 Q520 P605 A606 N896 E898 | V518-K634 VanDerWaalsContact O-CE 3.3Å; V518-K634 WeakPolarHBondContact O-CE 3.17Å; V518-K634 PolarHBondContact O-NZ 2.93Å; H519-K634 PolarHBondContact O-N 3.06Å; H519-K634 VanDerWaalsContact O-N 3.08Å; Q520-K634 HydrophobicContact CG-CB 4.1Å; P605-K634 WeakPolarHBondContact CA-O 3.3Å; P605-K634 WeakPolarHBondContact CB-O 3.17Å; A606-K634 PolarHBondContact N-O 3.07Å; K634-N896 WeakPolarHBondContact CD-O 3.45Å; K634-E898 WeakPolarHBondContact CE-OE1 3.37Å; K634-E898 VanDerWaalsContact NZ-CD 3.34Å; K634-E898 IonicContact NZ-OE1 2.99Å; K634-E898 PolarHBondContact NZ-OE1 3.39Å |
| 635 | Q | 87.2 | Confident | 87.6 | Confident | 63 Ų | 63 | 48.1 Ų | 48.1 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -70.4 | 147.5 | 176.9 | -63.6 | -177.8 | -1.3 | 0 | 0 | 111.5 | Q520 A606 | Q520-Q635 WeakPolarHBondContact CG-O 3.11Å; A606-Q635 HydrophobicContact CB-CG 4.16Å |
| 636 | D | 85.9 | Confident | 87.7 | Confident | 38 Ų | 38 | 45.5 Ų | 45.5 | 20% | 0.203 | 23% | 0.233 | C | C | . | . | trans | -135.6 | 162 | 179.4 | -171.5 | 11.2 | 0 | 0 | 0 | 109.3 | Q520 R521 P605 N665 H890 | Q520-D636 HydrophobicContact CB-CB 4.09Å; Q520-D636 HydrophobicContact CG-CB 4.05Å; R521-D636 IonicContact CZ-OD2 2.73Å; R521-D636 IonicContact NE-OD2 3.17Å; R521-D636 PolarHBondContact NE-OD2 3.25Å; R521-D636 IonicContact NH2-OD2 2.69Å; R521-D636 PolarHBondContact NH2-OD2 3.49Å; P605-D636 HydrophobicContact CB-CB 3.41Å; P605-D636 VanDerWaalsContact CB-CB 3.41Å; P605-D636 HydrophobicContact CG-CB 3.32Å; D636-N665 HydrophobicContact CB-CB 4.3Å; D636-N665 PolarHBondContact N-O 3Å; D636-N665 WeakPolarHBondContact O-CB 3.1Å; D636-H890 PolarHBondContact O-CE1 3.33Å | ||
| 637 | K | 84 | Confident | 87.7 | Confident | 76 Ų | 76 | 49.3 Ų | 49.3 | 33% | 0.33 | 25% | 0.249 | S | C | . | . | P | Polyproline II helix | trans | -50.5 | 125.9 | -174 | -167.4 | 177 | -167.8 | 175.4 | 0 | 112.1 | N665 P918 C920 | K637-N665 PolarHBondContact O-ND2 3Å; K637-P918 WeakPolarHBondContact CA-O 3.31Å; K637-P918 WeakPolarHBondContact CB-O 3.17Å; K637-P918 WeakPolarHBondContact CG-O 3.39Å; K637-C920 WeakPolarHBondContact CE-O 3.44Å; K637-C920 VanDerWaalsContact CG-O 3.31Å; K637-C920 WeakPolarHBondContact CG-O 3.38Å |
| 638 | P | 89.1 | Confident | 87.8 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -67 | 152.9 | 178.3 | 24.3 | -30.7 | 0 | 0 | 0 | 111.9 | I668 A888 S921 | P638-I668 HydrophobicContact CB-CD1 3.83Å; P638-I668 HydrophobicContact CG-CD1 4.44Å; P638-A888 WeakPolarHBondContact CG-O 3.33Å; P638-S921 VanDerWaalsContact O-CA 3.24Å; P638-S921 WeakPolarHBondContact O-CA 3.29Å; P638-S921 VanDerWaalsContact O-CB 3.23Å; P638-S921 WeakPolarHBondContact O-CB 3.17Å |
| 639 | S | 87 | Confident | 88 | Confident | 31 Ų | 31 | 46.1 Ų | 46.1 | 22% | 0.217 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -72 | 166.1 | 169.4 | 55 | 0 | 0 | 0 | 0 | 112.2 | P661 N663 S921 | S639-P661 VanDerWaalsContact O-CB 3.23Å; S639-P661 WeakPolarHBondContact O-CB 3.48Å; S639-P661 VanDerWaalsContact O-CG 3.29Å; S639-P661 WeakPolarHBondContact O-CG 3.24Å; S639-P661 VanDerWaalsContact OG-CB 3.29Å; S639-P661 WeakPolarHBondContact OG-CB 3.49Å; S639-N663 WeakPolarHBondContact CB-O 3.36Å; S639-N663 PolarHBondContact N-O 3.24Å; S639-N663 VanDerWaalsContact OG-C 3.29Å; S639-N663 WeakPolarHBondContact OG-CA 3.4Å; S639-N663 PolarHBondContact OG-N 2.84Å; S639-N663 PolarHBondContact OG-O 3.1Å; S639-S921 WeakPolarHBondContact O-CB 3.05Å |
| 640 | S | 87.3 | Confident | 88 | Confident | 34 Ų | 34 | 47.4 Ų | 47.4 | 24% | 0.238 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -64.2 | 148.8 | 177.9 | -58.2 | 0 | 0 | 0 | 0 | 112.2 | I642 P661 T922 | S640-I642 PolarHBondContact O-N 3.03Å; S640-P661 WeakPolarHBondContact O-CB 3.46Å; S640-T922 WeakPolarHBondContact OG-CB 3.05Å; S640-T922 PolarHBondContact OG-O 3.49Å; S640-T922 VanDerWaalsContact OG-O 3.05Å; S640-T922 PolarHBondContact OG-OG1 2.74Å |
| 641 | P | 88.1 | Confident | 88 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.019 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -56.3 | 135.5 | 164.5 | -24.3 | 35 | 0 | 0 | 0 | 111.7 | W658 Y671 I886 A888 S924 | P641-W658 HydrophobicContact CB-CB 4.31Å; P641-W658 HydrophobicContact CB-CG 4.36Å; P641-Y671 HydrophobicContact CG-CD1 4.07Å; P641-Y671 HydrophobicContact CG-CE1 4.05Å; P641-I886 HydrophobicContact CB-CG2 4.29Å; P641-I886 HydrophobicContact CG-CG1 4.38Å; P641-I886 HydrophobicContact CG-CG2 4.11Å; P641-A888 HydrophobicContact CG-CB 4.18Å; P641-S924 PolarHBondContact O-OG 2.83Å |
| 642 | I | 86.1 | Confident | 88 | Confident | 52 Ų | 52 | 49 Ų | 49 | 27% | 0.267 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 163 | 178.1 | 45.1 | 151 | 0 | 0 | 0 | 111.2 | S640 F644 N659 A660 | S640-I642 PolarHBondContact O-N 3.03Å; I642-F644 PolarHBondContact O-N 3.31Å; I642-F644 VanDerWaalsContact O-N 3.13Å; I642-N659 HydrophobicContact CD1-CB 3.83Å; I642-N659 HydrophobicContact CG1-CB 3.72Å; I642-N659 PolarHBondContact N-O 3.33Å; I642-N659 PolarHBondContact O-N 3.19Å; I642-A660 VanDerWaalsContact CG1-O 3.24Å; I642-A660 WeakPolarHBondContact CG1-O 3.35Å |
| 643 | D | 85.4 | Confident | 88 | Confident | 86 Ų | 86 | 46.7 Ų | 46.7 | 46% | 0.46 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 48.6 | 39.2 | -179.9 | -52.1 | -36 | 0 | 0 | 0 | 114.3 | H645 N659 | D643-H645 PolarHBondContact O-CD2 3.42Å; D643-H645 PolarHBondContact O-N 2.99Å; D643-N659 HydrophobicContact CB-CB 4.43Å; D643-N659 PolarHBondContact OD2-ND2 3.06Å |
| 644 | F | 89.9 | Confident | 87.9 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 7% | 0.07 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 114.4 | 178.8 | -179.8 | -138.1 | 0 | 0 | 0 | 110.9 | I642 L656 Y657 W658 L673 F884 I886 I926 | I642-F644 PolarHBondContact O-N 3.31Å; I642-F644 VanDerWaalsContact O-N 3.13Å; F644-L656 HydrophobicContact CE2-CB 4.45Å; F644-L656 HydrophobicContact CE2-CD2 3.8Å; F644-L656 HydrophobicContact CZ-CD2 3.89Å; F644-Y657 WeakPolarHBondContact CA-O 3.37Å; F644-W658 HydrophobicContact CB-CB 4.26Å; F644-W658 HydrophobicContact CD2-CB 4.12Å; F644-W658 HydrophobicContact CD2-CE3 4.22Å; F644-W658 HydrophobicContact CE2-CE3 4.24Å; F644-L673 HydrophobicContact CE2-CD1 4.43Å; F644-L673 HydrophobicContact CZ-CD1 3.94Å; F644-F884 HydrophobicContact CE1-CB 4.4Å; F644-F884 HydrophobicContact CZ-CB 3.99Å; F644-I886 HydrophobicContact CB-CG2 4.44Å; F644-I886 HydrophobicContact CD1-CG2 3.59Å; F644-I886 HydrophobicContact CD2-CG2 3.88Å; F644-I886 HydrophobicContact CE1-CB 4.22Å; F644-I886 HydrophobicContact CE1-CG2 3.62Å; F644-I886 HydrophobicContact CE2-CB 4.3Å; F644-I886 HydrophobicContact CE2-CG2 3.91Å; F644-I886 HydrophobicContact CG-CG2 3.72Å; F644-I886 HydrophobicContact CZ-CB 4.03Å; F644-I886 HydrophobicContact CZ-CG2 3.78Å; F644-I926 HydrophobicContact CD1-CB 4.31Å; F644-I926 HydrophobicContact CD1-CG2 4.02Å; F644-I926 HydrophobicContact CE1-CB 4.28Å; F644-I926 HydrophobicContact CE1-CG2 3.61Å; F644-I926 HydrophobicContact CZ-CG2 3.91Å |
| 645 | H | 88.8 | Confident | 87.9 | Confident | 84 Ų | 84 | 46 Ų | 46 | 39% | 0.389 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 155.9 | -176 | -70.8 | -67.4 | 0 | 0 | 0 | 111.7 | D643 L656 Y657 | D643-H645 PolarHBondContact O-CD2 3.42Å; D643-H645 PolarHBondContact O-N 2.99Å; H645-L656 VanDerWaalsContact O-CA 3.31Å; H645-L656 WeakPolarHBondContact O-CA 3.42Å; H645-Y657 HydrophobicContact CB-CD1 4.1Å; H645-Y657 HydrophobicContact CB-CD2 4.14Å; H645-Y657 HydrophobicContact CB-CE1 3.6Å; H645-Y657 HydrophobicContact CB-CE2 3.65Å; H645-Y657 HydrophobicContact CB-CG 4.36Å; H645-Y657 AromaticContact CD2-CE2 3.59Å; H645-Y657 AromaticContact CD2-CZ 3.9Å; H645-Y657 AromaticContact CG-CE2 3.94Å; H645-Y657 AromaticContact CG-CZ 3.84Å; H645-Y657 PolarHBondContact N-O 2.83Å; H645-Y657 PolarHBondContact O-N 2.77Å |
| 646 | A | 88.6 | Confident | 88.1 | Confident | 10 Ų | 10 | 43 Ų | 43 | 8% | 0.083 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 141.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | M654 Q655 L656 F884 I926 Q928 | A646-M654 HydrophobicContact CB-CG 4.23Å; A646-M654 HydrophobicContact CB-SD 4.25Å; A646-Q655 CarbonylContact C-O 3.38Å; A646-Q655 VanDerWaalsContact CA-O 3.27Å; A646-Q655 WeakPolarHBondContact CA-O 3.29Å; A646-L656 HydrophobicContact CB-CD2 3.93Å; A646-L656 HydrophobicContact CB-CG 3.85Å; A646-F884 HydrophobicContact CB-CD2 4.44Å; A646-I926 HydrophobicContact CB-CD1 4.35Å; A646-I926 HydrophobicContact CB-CG2 3.94Å; A646-Q928 HydrophobicContact CB-CB 4.05Å; A646-Q928 HydrophobicContact CB-CG 4.35Å |
| 647 | F | 88.7 | Confident | 88.3 | Confident | 90 Ų | 90 | 45.3 Ų | 45.3 | 40% | 0.395 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 144.7 | 175.3 | 63.8 | -83.8 | 0 | 0 | 0 | 111.8 | L649 M654 Q655 Y657 | F647-L649 HydrophobicContact CD2-CD2 4.19Å; F647-L649 HydrophobicContact CE2-CD2 3.63Å; F647-L649 HydrophobicContact CZ-CD2 4.46Å; F647-M654 WeakPolarHBondContact O-CA 3.38Å; F647-Q655 HydrophobicContact CD1-CB 4.05Å; F647-Q655 HydrophobicContact CD1-CG 4.36Å; F647-Q655 HydrophobicContact CD2-CB 4.29Å; F647-Q655 HydrophobicContact CE1-CB 3.63Å; F647-Q655 HydrophobicContact CE1-CG 3.52Å; F647-Q655 HydrophobicContact CE2-CB 3.88Å; F647-Q655 HydrophobicContact CE2-CG 4.32Å; F647-Q655 HydrophobicContact CG-CB 4.38Å; F647-Q655 HydrophobicContact CZ-CB 3.55Å; F647-Q655 HydrophobicContact CZ-CG 3.52Å; F647-Q655 PolarHBondContact N-O 3.08Å; F647-Q655 PolarHBondContact O-N 3.46Å; F647-Y657 HydrophobicContact CD1-CD1 4.19Å; F647-Y657 AromaticContact CD1-CE1 3.78Å; F647-Y657 HydrophobicContact CD1-CE1 3.78Å; F647-Y657 AromaticContact CE1-CD1 3.87Å; F647-Y657 HydrophobicContact CE1-CD1 3.87Å; F647-Y657 AromaticContact CE1-CE1 3.7Å; F647-Y657 HydrophobicContact CE1-CE1 3.7Å |
| 648 | S | 87.3 | Confident | 88.6 | Confident | 23 Ų | 23 | 41.7 Ų | 41.7 | 16% | 0.161 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 135.2 | 177.2 | -166 | 0 | 0 | 0 | 0 | 109.9 | N650 T930 D931 | S648-N650 PolarHBondContact OG-O 2.93Å; S648-T930 WeakPolarHBondContact OG-CA 3.43Å; S648-D931 VanDerWaalsContact CB-OD2 3.27Å; S648-D931 WeakPolarHBondContact CB-OD2 3.36Å; S648-D931 PolarHBondContact OG-N 2.93Å; S648-D931 VanDerWaalsContact OG-N 3.12Å; S648-D931 PolarHBondContact OG-OD2 2.85Å |
| 649 | L | 85.9 | Confident | 88.5 | Confident | 86 Ų | 86 | 43.4 Ų | 43.4 | 45% | 0.45 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -31.3 | 169.7 | -69.1 | 176.5 | 0 | 0 | 0 | 111.3 | F647 K653 Q655 | F647-L649 HydrophobicContact CD2-CD2 4.19Å; F647-L649 HydrophobicContact CE2-CD2 3.63Å; F647-L649 HydrophobicContact CZ-CD2 4.46Å; L649-K653 HydrophobicContact CB-CB 3.9Å; L649-K653 HydrophobicContact CD1-CB 4.29Å; L649-K653 PolarHBondContact N-O 3.04Å; L649-Q655 HydrophobicContact CD1-CB 4.04Å; L649-Q655 HydrophobicContact CD2-CB 4.15Å; L649-Q655 HydrophobicContact CG-CB 3.98Å |
| 650 | N | 88.1 | Confident | 88.3 | Confident | 60 Ų | 60 | 44.3 Ų | 44.3 | 32% | 0.321 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.2 | -169.1 | 173.8 | 66.2 | 14.6 | 0 | 0 | 0 | 109.5 | S648 N652 K653 D931 | S648-N650 PolarHBondContact OG-O 2.93Å; N650-N652 PolarHBondContact ND2-OD1 3.4Å; N650-N652 PolarHBondContact O-N 3.29Å; N650-N652 PolarHBondContact OD1-N 2.9Å; N650-N652 PolarHBondContact OD1-OD1 3.46Å; N650-K653 VanDerWaalsContact OD1-CB 3.29Å; N650-K653 WeakPolarHBondContact OD1-CB 3.44Å; N650-K653 PolarHBondContact OD1-N 2.89Å; N650-D931 VanDerWaalsContact C-OD2 3.31Å; N650-D931 WeakPolarHBondContact CA-OD2 3.41Å; N650-D931 PolarHBondContact N-OD2 2.85Å |
| 651 | S | 88.5 | Confident | 88.3 | Confident | 33 Ų | 33 | 43.1 Ų | 43.1 | 23% | 0.231 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 1.5 | 179.8 | 68.7 | 0 | 0 | 0 | 0 | 116.3 | H878 D931 | S651-H878 WeakPolarHBondContact O-CA 3.29Å; S651-H878 WeakPolarHBondContact O-CB 2.94Å; S651-H878 PolarHBondContact O-N 3.01Å; S651-D931 WeakPolarHBondContact CA-O 3.45Å; S651-D931 VanDerWaalsContact CB-O 3.24Å; S651-D931 WeakPolarHBondContact CB-O 3.34Å |
| 652 | N | 90.4 | Very high | 88 | Confident | 73 Ų | 73 | 48.6 Ų | 48.6 | 39% | 0.39 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144.3 | 10.5 | 175 | 71.2 | -3.3 | 0 | 0 | 0 | 116.2 | N650 D874 G875 L876 | N650-N652 PolarHBondContact ND2-OD1 3.4Å; N650-N652 PolarHBondContact O-N 3.29Å; N650-N652 PolarHBondContact OD1-N 2.9Å; N650-N652 PolarHBondContact OD1-OD1 3.46Å; N652-D874 CarbonylContact O-C 3.45Å; N652-G875 PolarHBondContact O-N 3.35Å; N652-L876 WeakPolarHBondContact CA-O 3.05Å; N652-L876 VanDerWaalsContact CB-O 3.29Å; N652-L876 WeakPolarHBondContact CB-O 3.39Å; N652-L876 PolarHBondContact O-N 2.72Å; N652-L876 VanDerWaalsContact O-N 3.08Å |
| 653 | K | 89.6 | Confident | 87.9 | Confident | 62 Ų | 62 | 50.7 Ų | 50.7 | 27% | 0.27 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 140.8 | -178.1 | -69.7 | 175.8 | 163.4 | -87.2 | 0 | 112.4 | L649 N650 I873 D874 | L649-K653 HydrophobicContact CB-CB 3.9Å; L649-K653 HydrophobicContact CD1-CB 4.29Å; L649-K653 PolarHBondContact N-O 3.04Å; N650-K653 VanDerWaalsContact OD1-CB 3.29Å; N650-K653 WeakPolarHBondContact OD1-CB 3.44Å; N650-K653 PolarHBondContact OD1-N 2.89Å; K653-I873 WeakPolarHBondContact CA-O 3.06Å; K653-D874 WeakPolarHBondContact CE-OD2 3.38Å; K653-D874 IonicContact NZ-OD1 2.68Å; K653-D874 PolarHBondContact NZ-OD1 3.23Å; K653-D874 IonicContact NZ-OD2 2.64Å; K653-D874 PolarHBondContact NZ-OD2 3.14Å |
| 654 | M | 89.7 | Confident | 87.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 127.7 | 176.7 | -169.4 | 77.7 | 57.3 | 0 | 0 | 110 | A646 F647 L656 S872 I873 L876 F884 Q928 T930 | A646-M654 HydrophobicContact CB-CG 4.23Å; A646-M654 HydrophobicContact CB-SD 4.25Å; F647-M654 WeakPolarHBondContact O-CA 3.38Å; M654-L656 HydrophobicContact CB-CD1 4.41Å; M654-L656 HydrophobicContact CG-CD1 4.05Å; M654-L656 HydrophobicContact CG-CG 4.44Å; M654-S872 CarbonylContact O-C 3.55Å; M654-S872 WeakPolarHBondContact O-CA 3.34Å; M654-I873 PolarHBondContact N-O 2.9Å; M654-I873 PolarHBondContact O-N 3.04Å; M654-L876 HydrophobicContact CB-CD1 3.52Å; M654-L876 HydrophobicContact CE-CD1 4.32Å; M654-F884 HydrophobicContact CB-CZ 4.17Å; M654-F884 HydrophobicContact CE-CE2 4.13Å; M654-F884 HydrophobicContact CE-CZ 4.17Å; M654-F884 HydrophobicContact CG-CE1 4.43Å; M654-F884 HydrophobicContact CG-CE2 4.03Å; M654-F884 HydrophobicContact CG-CZ 3.72Å; M654-F884 HydrophobicContact SD-CE2 4.4Å; M654-Q928 HydrophobicContact CE-CB 4.26Å; M654-Q928 HydrophobicContact CE-CG 3.85Å; M654-Q928 HydrophobicContact SD-CB 4.06Å; M654-Q928 HydrophobicContact SD-CG 3.44Å; M654-Q928 WeakPolarHBondContact SD-CG 3.43Å; M654-T930 HydrophobicContact CE-CG2 3.87Å |
| 655 | Q | 91.1 | Very high | 87.8 | Confident | 41 Ų | 41 | 50 Ų | 50 | 19% | 0.192 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 136.6 | 169.4 | -176.1 | 63.9 | 31.3 | 0 | 0 | 109.6 | A646 F647 L649 V871 | A646-Q655 CarbonylContact C-O 3.38Å; A646-Q655 VanDerWaalsContact CA-O 3.27Å; A646-Q655 WeakPolarHBondContact CA-O 3.29Å; F647-Q655 HydrophobicContact CD1-CB 4.05Å; F647-Q655 HydrophobicContact CD1-CG 4.36Å; F647-Q655 HydrophobicContact CD2-CB 4.29Å; F647-Q655 HydrophobicContact CE1-CB 3.63Å; F647-Q655 HydrophobicContact CE1-CG 3.52Å; F647-Q655 HydrophobicContact CE2-CB 3.88Å; F647-Q655 HydrophobicContact CE2-CG 4.32Å; F647-Q655 HydrophobicContact CG-CB 4.38Å; F647-Q655 HydrophobicContact CZ-CB 3.55Å; F647-Q655 HydrophobicContact CZ-CG 3.52Å; F647-Q655 PolarHBondContact N-O 3.08Å; F647-Q655 PolarHBondContact O-N 3.46Å; L649-Q655 HydrophobicContact CD1-CB 4.04Å; L649-Q655 HydrophobicContact CD2-CB 4.15Å; L649-Q655 HydrophobicContact CG-CB 3.98Å; Q655-V871 PolarHBondContact NE2-O 2.73Å |
| 656 | L | 91.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 149.8 | 175.4 | -61.3 | 96.7 | 0 | 0 | 0 | 111.1 | F644 H645 A646 M654 W658 L673 G870 V871 I873 F884 | F644-L656 HydrophobicContact CE2-CB 4.45Å; F644-L656 HydrophobicContact CE2-CD2 3.8Å; F644-L656 HydrophobicContact CZ-CD2 3.89Å; H645-L656 VanDerWaalsContact O-CA 3.31Å; H645-L656 WeakPolarHBondContact O-CA 3.42Å; A646-L656 HydrophobicContact CB-CD2 3.93Å; A646-L656 HydrophobicContact CB-CG 3.85Å; M654-L656 HydrophobicContact CB-CD1 4.41Å; M654-L656 HydrophobicContact CG-CD1 4.05Å; M654-L656 HydrophobicContact CG-CG 4.44Å; L656-W658 HydrophobicContact CB-CZ3 4.36Å; L656-L673 HydrophobicContact CD2-CD1 4.35Å; L656-L673 HydrophobicContact CD2-CD2 4.47Å; L656-G870 CarbonylContact O-C 3.47Å; L656-G870 WeakPolarHBondContact O-CA 3.28Å; L656-V871 HydrophobicContact CB-CG1 4.35Å; L656-V871 PolarHBondContact N-O 2.69Å; L656-V871 PolarHBondContact O-N 3.09Å; L656-I873 HydrophobicContact CD1-CB 4.37Å; L656-I873 HydrophobicContact CD1-CD1 3.69Å; L656-I873 HydrophobicContact CD1-CG1 3.86Å; L656-F884 HydrophobicContact CD1-CD1 4.34Å; L656-F884 HydrophobicContact CD1-CE1 4.27Å; L656-F884 HydrophobicContact CD2-CB 3.81Å; L656-F884 HydrophobicContact CD2-CD1 3.65Å; L656-F884 HydrophobicContact CD2-CD2 4.33Å; L656-F884 HydrophobicContact CD2-CE1 4.31Å; L656-F884 HydrophobicContact CD2-CG 3.68Å |
| 657 | Y | 90.1 | Very high | 87.5 | Confident | 87 Ų | 87 | 52.5 Ų | 52.5 | 34% | 0.341 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 154.9 | 174 | 62 | -86.2 | 0 | 0 | 0 | 112.5 | F644 H645 F647 I868 I869 | F644-Y657 WeakPolarHBondContact CA-O 3.37Å; H645-Y657 HydrophobicContact CB-CD1 4.1Å; H645-Y657 HydrophobicContact CB-CD2 4.14Å; H645-Y657 HydrophobicContact CB-CE1 3.6Å; H645-Y657 HydrophobicContact CB-CE2 3.65Å; H645-Y657 HydrophobicContact CB-CG 4.36Å; H645-Y657 AromaticContact CD2-CE2 3.59Å; H645-Y657 AromaticContact CD2-CZ 3.9Å; H645-Y657 AromaticContact CG-CE2 3.94Å; H645-Y657 AromaticContact CG-CZ 3.84Å; H645-Y657 PolarHBondContact N-O 2.83Å; H645-Y657 PolarHBondContact O-N 2.77Å; F647-Y657 HydrophobicContact CD1-CD1 4.19Å; F647-Y657 AromaticContact CD1-CE1 3.78Å; F647-Y657 HydrophobicContact CD1-CE1 3.78Å; F647-Y657 AromaticContact CE1-CD1 3.87Å; F647-Y657 HydrophobicContact CE1-CD1 3.87Å; F647-Y657 AromaticContact CE1-CE1 3.7Å; F647-Y657 HydrophobicContact CE1-CE1 3.7Å; Y657-I868 HydrophobicContact CD2-CG2 4.19Å; Y657-I868 HydrophobicContact CG-CG2 4.47Å; Y657-I869 CarbonylContact C-O 3.59Å; Y657-I869 WeakPolarHBondContact CA-O 2.98Å; Y657-I869 WeakPolarHBondContact CB-O 3.31Å |
| 658 | W | 90.5 | Very high | 87.3 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 0% | 0.004 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 160.9 | 178.8 | 57.8 | 96.8 | 0 | 0 | 0 | 111.5 | P641 F644 L656 Y671 I851 I869 V871 I886 | P641-W658 HydrophobicContact CB-CB 4.31Å; P641-W658 HydrophobicContact CB-CG 4.36Å; F644-W658 HydrophobicContact CB-CB 4.26Å; F644-W658 HydrophobicContact CD2-CB 4.12Å; F644-W658 HydrophobicContact CD2-CE3 4.22Å; F644-W658 HydrophobicContact CE2-CE3 4.24Å; L656-W658 HydrophobicContact CB-CZ3 4.36Å; W658-Y671 AromaticContact CD1-CE1 3.86Å; W658-Y671 AromaticContact NE1-CD1 3.48Å; W658-Y671 AromaticContact NE1-CE1 3.5Å; W658-Y671 AromaticContact NE1-CG 3.82Å; W658-Y671 AromaticContact NE1-CZ 3.86Å; W658-I851 HydrophobicContact CH2-CD1 3.84Å; W658-I851 HydrophobicContact CZ2-CD1 4.14Å; W658-I851 HydrophobicContact CZ2-CG2 4.38Å; W658-I869 HydrophobicContact CD2-CB 4.41Å; W658-I869 HydrophobicContact CH2-CG2 4.13Å; W658-I869 HydrophobicContact CZ2-CB 3.98Å; W658-I869 HydrophobicContact CZ2-CG2 3.41Å; W658-I869 VanDerWaalsContact CZ2-CG2 3.41Å; W658-I869 PolarHBondContact N-O 2.04Å; W658-I869 PolarHBondContact O-N 2.63Å; W658-V871 HydrophobicContact CH2-CB 4.43Å; W658-V871 HydrophobicContact CH2-CG1 4.05Å; W658-V871 HydrophobicContact CZ3-CG1 4.04Å; W658-I886 HydrophobicContact CD2-CD1 3.4Å; W658-I886 HydrophobicContact CE3-CD1 3.75Å; W658-I886 HydrophobicContact CG-CD1 3.88Å; W658-I886 HydrophobicContact CH2-CD1 4.15Å; W658-I886 HydrophobicContact CZ2-CD1 3.76Å; W658-I886 HydrophobicContact CZ3-CD1 4.13Å |
| 659 | N | 86 | Confident | 87.3 | Confident | 39 Ų | 39 | 51 Ų | 51 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 154.6 | 168.9 | -78.8 | -36.1 | 0 | 0 | 0 | 110.6 | I642 D643 | I642-N659 HydrophobicContact CD1-CB 3.83Å; I642-N659 HydrophobicContact CG1-CB 3.72Å; I642-N659 PolarHBondContact N-O 3.33Å; I642-N659 PolarHBondContact O-N 3.19Å; D643-N659 HydrophobicContact CB-CB 4.43Å; D643-N659 PolarHBondContact OD2-ND2 3.06Å |
| 660 | A | 83.8 | Confident | 87.5 | Confident | 51 Ų | 51 | 49 Ų | 49 | 42% | 0.421 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -64 | 151 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | I642 | I642-A660 VanDerWaalsContact CG1-O 3.24Å; I642-A660 WeakPolarHBondContact CG1-O 3.35Å |
| 661 | P | 86 | Confident | 87.6 | Confident | 8 Ų | 8 | 46.4 Ų | 46.4 | 5% | 0.052 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 137.1 | -175.1 | -21.5 | 32.3 | 0 | 0 | 0 | 114.7 | S639 S640 N663 A888 | S639-P661 VanDerWaalsContact O-CB 3.23Å; S639-P661 WeakPolarHBondContact O-CB 3.48Å; S639-P661 VanDerWaalsContact O-CG 3.29Å; S639-P661 WeakPolarHBondContact O-CG 3.24Å; S639-P661 VanDerWaalsContact OG-CB 3.29Å; S639-P661 WeakPolarHBondContact OG-CB 3.49Å; S640-P661 WeakPolarHBondContact O-CB 3.46Å; P661-N663 PolarHBondContact O-N 2.04Å; P661-A888 HydrophobicContact CG-CB 3.74Å |
| 662 | D | 82.1 | Confident | 87.6 | Confident | 118 Ų | 118 | 45.1 Ų | 45.1 | 63% | 0.631 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -52.7 | -39.6 | 178.8 | -76.1 | -38 | 0 | 0 | 0 | 113.7 | P664 | D662-P664 WeakPolarHBondContact O-CD 3.31Š|
| 663 | N | 84 | Confident | 87.5 | Confident | 97 Ų | 97 | 41.7 Ų | 41.7 | 52% | 0.519 | 22% | 0.223 | S | C | . | . | trans | -118.1 | 89.8 | 177.7 | -66.5 | -99.5 | 0 | 0 | 0 | 107.6 | S639 P661 N665 | S639-N663 WeakPolarHBondContact CB-O 3.36Å; S639-N663 PolarHBondContact N-O 3.24Å; S639-N663 VanDerWaalsContact OG-C 3.29Å; S639-N663 WeakPolarHBondContact OG-CA 3.4Å; S639-N663 PolarHBondContact OG-N 2.84Å; S639-N663 PolarHBondContact OG-O 3.1Å; P661-N663 PolarHBondContact O-N 2.04Å; N663-N665 VanDerWaalsContact C-N 3.33Å | ||
| 664 | P | 84.6 | Confident | 87.5 | Confident | 59 Ų | 59 | 39.3 Ų | 39.3 | 38% | 0.383 | 21% | 0.212 | S | C | . | . | trans | -75.4 | -21.7 | -176.3 | 29.4 | -34.9 | 0 | 0 | 0 | 112.4 | D662 G666 I668 H890 | D662-P664 WeakPolarHBondContact O-CD 3.31Å; P664-G666 PolarHBondContact O-N 3.41Å; P664-I668 HydrophobicContact CB-CD1 4.1Å; P664-I668 HydrophobicContact CB-CG1 4.22Å; P664-H890 PolarHBondContact O-CE1 2.87Å; P664-H890 PolarHBondContact O-NE2 3.02Å | ||
| 665 | N | 87.8 | Confident | 87.5 | Confident | 27 Ų | 27 | 41.5 Ų | 41.5 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | trans | 54 | 14.3 | 173.2 | -62 | -19 | 0 | 0 | 0 | 116.5 | P605 A606 D636 K637 N663 | P605-N665 HydrophobicContact CB-CB 4.19Å; A606-N665 WeakPolarHBondContact CB-O 3.36Å; D636-N665 HydrophobicContact CB-CB 4.3Å; D636-N665 PolarHBondContact N-O 3Å; D636-N665 WeakPolarHBondContact O-CB 3.1Å; K637-N665 PolarHBondContact O-ND2 3Å; N663-N665 VanDerWaalsContact C-N 3.33Å | ||
| 666 | G | 86 | Confident | 87.3 | Confident | 16 Ų | 16 | 42.1 Ų | 42.1 | 17% | 0.165 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 158.7 | 179.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | P664 I668 H890 | P664-G666 PolarHBondContact O-N 3.41Å; G666-I668 PolarHBondContact O-N 2.78Å; G666-H890 WeakPolarHBondContact CA-NE2 3.29Å |
| 667 | Q | 85.7 | Confident | 87 | Confident | 132 Ų | 132 | 45.8 Ų | 45.8 | 62% | 0.617 | 24% | 0.235 | S | C | * | . | trans | -81.5 | 117.6 | 176.2 | -177.4 | 176.4 | 1.9 | 0 | 0 | 109.9 | V669 H890 | Q667-V669 PolarHBondContact O-N 2.69Å; Q667-H890 PolarHBondContact O-CD2 2.64Å | ||
| 668 | I | 85.6 | Confident | 86.4 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 11% | 0.113 | 23% | 0.228 | C | C | . | . | trans | -66.2 | 129.3 | 170.6 | -47.2 | -56.7 | 0 | 0 | 0 | 108.7 | P638 P664 G666 Y671 A853 A888 | P638-I668 HydrophobicContact CB-CD1 3.83Å; P638-I668 HydrophobicContact CG-CD1 4.44Å; P664-I668 HydrophobicContact CB-CD1 4.1Å; P664-I668 HydrophobicContact CB-CG1 4.22Å; G666-I668 PolarHBondContact O-N 2.78Å; I668-Y671 HydrophobicContact CG2-CD2 4.49Å; I668-Y671 HydrophobicContact CG2-CE1 4.44Å; I668-Y671 HydrophobicContact CG2-CE2 3.95Å; I668-A853 HydrophobicContact CB-CB 4.37Å; I668-A853 HydrophobicContact CG2-CB 4.15Å; I668-A853 WeakPolarHBondContact O-CB 3.4Å; I668-A888 HydrophobicContact CD1-CB 4.23Å; I668-A888 HydrophobicContact CG2-CB 4.05Å | ||
| 669 | V | 87.1 | Confident | 85.3 | Confident | 59 Ų | 59 | 50.4 Ų | 50.4 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | trans | -108.7 | -45.9 | -177.5 | 177.1 | 0 | 0 | 0 | 0 | 110.9 | Q667 A853 C889 | Q667-V669 PolarHBondContact O-N 2.69Å; V669-A853 PolarHBondContact O-N 2.73Å; V669-C889 PolarHBondContact N-O 2.93Å | ||
| 670 | E | 89.2 | Confident | 84 | Confident | 45 Ų | 45 | 52 Ų | 52 | 21% | 0.21 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 156.2 | 178.6 | 60.8 | 175.2 | -177.1 | 0 | 0 | 112.2 | H672 R850 I851 C889 | E670-H672 WeakPolarHBondContact CG-NE2 3.03Å; E670-H672 IonicContact OE1-CD2 2.77Å; E670-H672 IonicContact OE1-CE1 2.69Å; E670-H672 CovalentContact OE1-NE2 1.75Å; E670-H672 IonicContact OE1-NE2 3.85Å; E670-H672 PolarHBondContact OE1-NE2 3.02Å; E670-H672 IonicContact OE2-NE2 3.88Å; E670-H672 PolarHBondContact OE2-NE2 3.29Å; E670-R850 IonicContact OE1-NH1 3.56Å; E670-R850 VanDerWaalsContact OE2-CD 3.31Å; E670-R850 WeakPolarHBondContact OE2-CD 3.03Å; E670-I851 CarbonylContact C-O 3.57Å; E670-I851 VanDerWaalsContact CA-O 3.25Å; E670-I851 WeakPolarHBondContact CA-O 3.17Å; E670-C889 HydrophobicContact CG-CB 4.17Å; E670-C889 PolarHBondContact N-O 3.32Å; E670-C889 PolarHBondContact O-N 2.99Å |
| 671 | Y | 90.1 | Very high | 82.6 | Confident | 5 Ų | 5 | 56.8 Ų | 56.8 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 137.1 | 166.8 | -62.5 | -98.1 | 0 | 0 | 0 | 108.9 | P641 W658 I668 R850 I851 A853 I869 I886 S887 A888 | P641-Y671 HydrophobicContact CG-CD1 4.07Å; P641-Y671 HydrophobicContact CG-CE1 4.05Å; W658-Y671 AromaticContact CD1-CE1 3.86Å; W658-Y671 AromaticContact NE1-CD1 3.48Å; W658-Y671 AromaticContact NE1-CE1 3.5Å; W658-Y671 AromaticContact NE1-CG 3.82Å; W658-Y671 AromaticContact NE1-CZ 3.86Å; I668-Y671 HydrophobicContact CG2-CD2 4.49Å; I668-Y671 HydrophobicContact CG2-CE1 4.44Å; I668-Y671 HydrophobicContact CG2-CE2 3.95Å; Y671-R850 CarbonylContact O-C 3.56Å; Y671-R850 WeakPolarHBondContact O-CA 3.43Å; Y671-I851 PolarHBondContact N-O 3.11Å; Y671-I851 PolarHBondContact O-N 3.28Å; Y671-A853 HydrophobicContact CE2-CB 4.07Å; Y671-I869 HydrophobicContact CD2-CD1 4.4Å; Y671-I869 HydrophobicContact CE2-CD1 3.5Å; Y671-I886 HydrophobicContact CD1-CD1 4.21Å; Y671-S887 CarbonylContact C-O 3.52Å; Y671-S887 VanDerWaalsContact CA-O 3.29Å; Y671-S887 WeakPolarHBondContact CA-O 3.49Å; Y671-A888 HydrophobicContact CD1-CB 3.73Å; Y671-A888 HydrophobicContact CE1-CB 3.6Å |
| 672 | H | 88.8 | Confident | 80.9 | Confident | 6 Ų | 6 | 59.8 Ų | 59.8 | 3% | 0.028 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 124.9 | 172.6 | -74 | -130.2 | 0 | 0 | 0 | 108.9 | E670 W674 H848 L849 R850 I886 S887 | E670-H672 WeakPolarHBondContact CG-NE2 3.03Å; E670-H672 IonicContact OE1-CD2 2.77Å; E670-H672 IonicContact OE1-CE1 2.69Å; E670-H672 CovalentContact OE1-NE2 1.75Å; E670-H672 IonicContact OE1-NE2 3.85Å; E670-H672 PolarHBondContact OE1-NE2 3.02Å; E670-H672 IonicContact OE2-NE2 3.88Å; E670-H672 PolarHBondContact OE2-NE2 3.29Å; H672-W674 HydrophobicContact CB-CE3 4.33Å; H672-W674 HydrophobicContact CB-CH2 3.27Å; H672-W674 HydrophobicContact CB-CZ2 3.63Å; H672-W674 HydrophobicContact CB-CZ3 3.66Å; H672-W674 AromaticContact CG-CH2 3.99Å; H672-W674 AromaticContact ND1-CZ2 3.73Å; H672-H848 AromaticContact CG-NE2 3.59Å; H672-H848 AromaticContact ND1-CE1 3.37Å; H672-H848 PolarHBondContact ND1-CE1 3.29Å; H672-H848 AromaticContact ND1-NE2 3.04Å; H672-H848 PolarHBondContact ND1-NE2 3.26Å; H672-L849 WeakPolarHBondContact CA-O 3.49Å; H672-R850 PolarHBondContact CE1-NE 3.18Å; H672-I886 CarbonylContact O-C 3.48Å; H672-I886 VanDerWaalsContact O-CA 3.3Å; H672-I886 WeakPolarHBondContact O-CA 3.28Å; H672-S887 PolarHBondContact N-O 2.79Å; H672-S887 PolarHBondContact O-N 3.43Å |
| 673 | L | 89.5 | Confident | 79.1 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 116.6 | 179.9 | 172.7 | 61.8 | 0 | 0 | 0 | 109.8 | F644 L656 H848 L849 I851 V871 I873 F884 V885 I886 | F644-L673 HydrophobicContact CE2-CD1 4.43Å; F644-L673 HydrophobicContact CZ-CD1 3.94Å; L656-L673 HydrophobicContact CD2-CD1 4.35Å; L656-L673 HydrophobicContact CD2-CD2 4.47Å; L673-H848 CarbonylContact O-C 3.59Å; L673-H848 WeakPolarHBondContact O-CA 3.04Å; L673-L849 HydrophobicContact CB-CB 4.42Å; L673-L849 HydrophobicContact CD2-CD1 4.4Å; L673-L849 PolarHBondContact N-O 2.83Å; L673-L849 PolarHBondContact O-N 3.35Å; L673-I851 HydrophobicContact CB-CD1 4.06Å; L673-I851 HydrophobicContact CD2-CD1 4.26Å; L673-V871 HydrophobicContact CD2-CG1 3.6Å; L673-I873 HydrophobicContact CD2-CD1 4.02Å; L673-F884 HydrophobicContact CD1-CB 4.44Å; L673-V885 CarbonylContact C-O 3.57Å; L673-V885 WeakPolarHBondContact CA-O 3.32Å; L673-I886 HydrophobicContact CD1-CB 4.18Å |
| 674 | W | 88.8 | Confident | 77.1 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 5% | 0.045 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 148 | 175 | -59.5 | -88.1 | 0 | 0 | 0 | 110.7 | H672 W845 G847 H848 F884 V885 I914 | H672-W674 HydrophobicContact CB-CE3 4.33Å; H672-W674 HydrophobicContact CB-CH2 3.27Å; H672-W674 HydrophobicContact CB-CZ2 3.63Å; H672-W674 HydrophobicContact CB-CZ3 3.66Å; H672-W674 AromaticContact CG-CH2 3.99Å; H672-W674 AromaticContact ND1-CZ2 3.73Å; W674-W845 HydrophobicContact CB-CD2 3.83Å; W674-W845 HydrophobicContact CB-CE3 3.72Å; W674-W845 HydrophobicContact CB-CG 4.35Å; W674-W845 HydrophobicContact CB-CZ3 4.08Å; W674-W845 HydrophobicContact CG-CD2 4.48Å; W674-G847 WeakPolarHBondContact CA-O 3.31Å; W674-H848 AromaticContact CD1-CD2 3.51Å; W674-H848 AromaticContact CD1-CG 3.6Å; W674-H848 AromaticContact CE2-CD2 3.59Å; W674-H848 AromaticContact CE2-NE2 3.63Å; W674-H848 AromaticContact CZ2-NE2 3.76Å; W674-H848 AromaticContact NE1-CD2 3.19Å; W674-H848 PolarHBondContact NE1-CD2 3.43Å; W674-H848 AromaticContact NE1-CE1 3.82Å; W674-H848 AromaticContact NE1-CG 3.37Å; W674-H848 AromaticContact NE1-ND1 3.76Å; W674-H848 AromaticContact NE1-NE2 3.5Å; W674-H848 PolarHBondContact NE1-NE2 3.37Å; W674-F884 WeakPolarHBondContact O-CA 3.35Å; W674-V885 HydrophobicContact CE3-CG1 4.24Å; W674-V885 PolarHBondContact N-O 3.17Å; W674-V885 PolarHBondContact O-N 3.3Å; W674-I914 HydrophobicContact CH2-CG2 3.78Å; W674-I914 HydrophobicContact CZ2-CD1 4.43Å; W674-I914 HydrophobicContact CZ2-CG2 3.55Å |
| 675 | Y | 89.5 | Confident | 75 | Confident | 46 Ų | 46 | 61.5 Ų | 61.5 | 18% | 0.18 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 147.6 | 173.9 | 65.2 | -89.1 | 0 | 0 | 0 | 113 | D846 G847 I873 L876 Y882 L883 F884 | Y675-D846 HydrophobicContact CD2-CB 4.08Å; Y675-D846 HydrophobicContact CE2-CB 3.99Å; Y675-D846 PolarHBondContact O-N 3.26Å; Y675-G847 PolarHBondContact N-O 2.65Å; Y675-G847 PolarHBondContact O-N 3.4Å; Y675-I873 HydrophobicContact CD1-CD1 3.78Å; Y675-I873 HydrophobicContact CE1-CD1 4.1Å; Y675-I873 HydrophobicContact CE1-CG2 4.14Å; Y675-I873 HydrophobicContact CE2-CG2 4.34Å; Y675-I873 HydrophobicContact CG-CD1 4.36Å; Y675-L876 HydrophobicContact CD2-CD2 4.36Å; Y675-L876 HydrophobicContact CE2-CD2 4.21Å; Y675-Y882 HydrophobicContact CD2-CD1 4.42Å; Y675-L883 VanDerWaalsContact CA-O 3.3Å; Y675-L883 WeakPolarHBondContact CA-O 3.22Å; Y675-F884 VanDerWaalsContact CB-CD1 3.46Å; Y675-F884 HydrophobicContact CG-CD1 4.39Å; Y675-F884 HydrophobicContact CG-CE1 4.28Å |
| 676 | R | 87 | Confident | 72.8 | Confident | 55 Ų | 55 | 64.2 Ų | 64.2 | 21% | 0.208 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 149 | 174.6 | 73 | -178.5 | -166.7 | -171.8 | 0.9 | 112.2 | L843 W845 D846 Y882 L883 | R676-L843 VanDerWaalsContact NH1-CB 3.32Å; R676-L843 PolarHBondContact NH1-O 2.97Å; R676-W845 HydrophobicContact CB-CE3 3.72Å; R676-W845 HydrophobicContact CB-CZ3 4.14Å; R676-W845 HydrophobicContact CG-CE3 3.81Å; R676-W845 HydrophobicContact CG-CZ3 3.73Å; R676-D846 WeakPolarHBondContact CA-OD2 3.22Å; R676-Y882 WeakPolarHBondContact O-CA 3.48Å; R676-L883 HydrophobicContact CG-CB 4.12Å; R676-L883 HydrophobicContact CG-CD2 4.37Å; R676-L883 PolarHBondContact N-O 2.73Å; R676-L883 PolarHBondContact O-N 3.24Å |
| 677 | R | 85.1 | Confident | 70.7 | Confident | 77 Ų | 77 | 69.8 Ų | 69.8 | 29% | 0.291 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 139.5 | 168.8 | -178 | 169.4 | -167.2 | 162.2 | 11.3 | 111 | D846 H877 T880 Y882 | R677-D846 WeakPolarHBondContact CB-OD2 3.21Å; R677-D846 PolarHBondContact N-OD2 3.19Å; R677-H877 PolarHBondContact NH1-CD2 3.06Å; R677-H877 PolarHBondContact NH1-NE2 2.94Å; R677-T880 HydrophobicContact CG-CG2 3.61Å; R677-T880 VanDerWaalsContact NE-CG2 3.29Å; R677-T880 PolarHBondContact NH2-OG1 2.82Å; R677-Y882 HydrophobicContact CB-CD1 4.4Å; R677-Y882 HydrophobicContact CB-CE1 4Å |
| 678 | L | 77.7 | Confident | 68.7 | Low | 37 Ų | 37 | 65.5 Ų | 65.5 | 19% | 0.194 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -98.4 | 140.7 | 164.2 | -63.1 | -179.3 | 0 | 0 | 0 | 109.5 | E881 L883 Q927 | L678-E881 HydrophobicContact CB-CB 4.41Å; L678-E881 HydrophobicContact CD1-CG 4.37Å; L678-E881 PolarHBondContact N-O 2.69Å; L678-L883 HydrophobicContact CD1-CB 4.18Å; L678-L883 HydrophobicContact CD2-CB 3.94Å; L678-L883 HydrophobicContact CG-CB 4.02Å; L678-Q927 HydrophobicContact CD1-CG 3.94Å |
| 679 | F | 66.6 | Low | 67.2 | Low | 148 Ų | 148 | 66.3 Ų | 66.3 | 65% | 0.649 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -92.8 | 136.9 | 174.3 | -63.3 | -80.9 | 0 | 0 | 0 | 109.4 | N681 | F679-N681 PolarHBondContact O-N 2.83Š|
| 680 | V | 58.8 | Low | 65.5 | Low | 73 Ų | 73 | 65 Ų | 65 | 44% | 0.442 | 36% | 0.361 | S | S | . | . | trans | -74.3 | 100.8 | -178.9 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | I682 L1100 | V680-I682 PolarHBondContact O-N 2.91Å; V680-L1100 HydrophobicContact CG1-CD1 4.2Å; V680-L1100 HydrophobicContact CG2-CD1 4.08Å | ||
| 681 | N | 54.1 | Low | 64.1 | Low | 150 Ų | 150 | 64.8 Ų | 64.8 | 80% | 0.802 | 37% | 0.365 | S | S | * | . | trans | -72.6 | 110.8 | 170.4 | -76.9 | -19.6 | 0 | 0 | 0 | 109.4 | F679 P683 | F679-N681 PolarHBondContact O-N 2.83Å; N681-P683 WeakPolarHBondContact O-CD 3.47Å | ||
| 682 | I | 52 | Low | 62.2 | Low | 71 Ų | 71 | 68 Ų | 68 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | trans | -83.6 | 119.4 | 177.3 | -47 | 177.9 | 0 | 0 | 0 | 108.8 | V680 S684 I689 L1020 I1063 | V680-I682 PolarHBondContact O-N 2.91Å; I682-S684 PolarHBondContact O-N 2.76Å; I682-I689 HydrophobicContact CG2-CD1 3.43Å; I682-I689 VanDerWaalsContact CG2-CD1 3.43Å; I682-L1020 HydrophobicContact CD1-CD2 3.45Å; I682-L1020 VanDerWaalsContact CD1-CD2 3.45Å; I682-L1020 HydrophobicContact CG1-CD2 4.37Å; I682-I1063 HydrophobicContact CD1-CD1 3.72Å; I682-I1063 HydrophobicContact CD1-CG1 4.32Å; I682-I1063 HydrophobicContact CG2-CD1 4.1Å | ||
| 683 | P | 42.4 | Very low | 60.2 | Low | 73 Ų | 73 | 72.9 Ų | 72.9 | 47% | 0.474 | 41% | 0.411 | S | S | . | . | trans | -68.5 | 127 | 176.1 | -16.9 | 31.4 | 0 | 0 | 0 | 110.6 | N681 S685 D686 | N681-P683 WeakPolarHBondContact O-CD 3.47Å; P683-S685 PolarHBondContact O-N 2.03Å; P683-D686 HydrophobicContact CB-CB 4.49Å; P683-D686 PolarHBondContact O-N 2.7Å | ||
| 684 | S | 42.1 | Very low | 57.9 | Low | 136 Ų | 136 | 77 Ų | 77 | 95% | 0.951 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | 17.2 | -178.4 | 54.1 | 0 | 0 | 0 | 0 | 114.9 | I682 | I682-S684 PolarHBondContact O-N 2.76Š|
| 685 | S | 40.7 | Very low | 55.4 | Low | 102 Ų | 102 | 86.4 Ų | 86.4 | 71% | 0.713 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.1 | 7.1 | -174.9 | 65.8 | 0 | 0 | 0 | 0 | 113.8 | P683 N687 | P683-S685 PolarHBondContact O-N 2.03Å; S685-N687 PolarHBondContact O-N 3.26Å |
| 686 | D | 41.4 | Very low | 52.8 | Low | 83 Ų | 83 | 88.4 Ų | 88.4 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | trans | -92.6 | 103.9 | -175.4 | -160.6 | -21.1 | 0 | 0 | 0 | 111.9 | P683 G688 I689 | P683-D686 HydrophobicContact CB-CB 4.49Å; P683-D686 PolarHBondContact O-N 2.7Å; D686-G688 PolarHBondContact O-N 2.92Å; D686-G688 VanDerWaalsContact O-N 3.12Å; D686-G688 PolarHBondContact OD1-N 3.17Å; D686-I689 HydrophobicContact CB-CD1 3.99Å; D686-I689 HydrophobicContact CB-CG1 4.39Å; D686-I689 PolarHBondContact O-N 3.41Å | ||
| 687 | N | 41.9 | Very low | 50.1 | Low | 133 Ų | 133 | 88.2 Ų | 88.2 | 71% | 0.711 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -59.2 | -23.3 | -178.7 | -71.9 | -23.2 | 0 | 0 | 0 | 113.1 | S685 I689 S690 | S685-N687 PolarHBondContact O-N 3.26Å; N687-I689 PolarHBondContact O-N 3.2Å; N687-S690 WeakPolarHBondContact O-CB 3.49Å; N687-S690 PolarHBondContact O-N 2.79Å |
| 688 | G | 45.2 | Very low | 47.5 | Very low | 43 Ų | 43 | 91.1 Ų | 91.1 | 44% | 0.443 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -67.5 | -14.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115 | D686 | D686-G688 PolarHBondContact O-N 2.92Å; D686-G688 VanDerWaalsContact O-N 3.12Å; D686-G688 PolarHBondContact OD1-N 3.17Å |
| 689 | I | 52.4 | Low | 45.2 | Very low | 38 Ų | 38 | 95.5 Ų | 95.5 | 20% | 0.195 | 56% | 0.556 | C | S | . | * | G | 310 helix | trans | -86.9 | -17.5 | 178 | -48 | 162 | 0 | 0 | 0 | 111.4 | I682 D686 N687 L1022 I1063 | I682-I689 HydrophobicContact CG2-CD1 3.43Å; I682-I689 VanDerWaalsContact CG2-CD1 3.43Å; D686-I689 HydrophobicContact CB-CD1 3.99Å; D686-I689 HydrophobicContact CB-CG1 4.39Å; D686-I689 PolarHBondContact O-N 3.41Å; N687-I689 PolarHBondContact O-N 3.2Å; I689-L1022 HydrophobicContact CG2-CD2 4.3Å; I689-I1063 HydrophobicContact CG2-CD1 3.54Å |
| 690 | S | 51.4 | Low | 43.7 | Very low | 32 Ų | 32 | 92.6 Ų | 92.6 | 22% | 0.224 | 55% | 0.547 | C | S | . | . | S | Bend | trans | -83 | 151 | -177.1 | 180 | 0 | 0 | 0 | 0 | 112.4 | N687 T692 N1061 | N687-S690 WeakPolarHBondContact O-CB 3.49Å; N687-S690 PolarHBondContact O-N 2.79Å; S690-T692 VanDerWaalsContact CB-OG1 3.23Å; S690-T692 WeakPolarHBondContact CB-OG1 3.18Å; S690-T692 PolarHBondContact O-N 3.5Å; S690-T692 WeakPolarHBondContact OG-CG2 3.28Å; S690-T692 PolarHBondContact OG-OG1 2.96Å; S690-N1061 WeakPolarHBondContact CA-OD1 3.28Å |
| 691 | C | 60.1 | Low | 42.2 | Very low | 41 Ų | 41 | 92.4 Ų | 92.4 | 28% | 0.277 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 19.2 | 172 | -65 | 0 | 0 | 0 | 0 | 116.1 | C1059 L1060 N1061 | C691-C1059 WeakPolarHBondContact CA-SG 3.45Å; C691-C1059 HydrophobicContact CB-CB 3.5Å; C691-C1059 WeakPolarHBondContact CB-SG 3.47Å; C691-C1059 WeakPolarHBondContact SG-CB 3.5Å; C691-C1059 PolarHBondContact SG-O 3Å; C691-C1059 VanDerWaalsContact SG-O 3.37Å; C691-C1059 CovalentContact SG-SG 2.03Å; C691-C1059 PolarHBondContact SG-SG 2.81Å; C691-L1060 PolarHBondContact SG-N 3.44Å; C691-L1060 VanDerWaalsContact SG-N 3.35Å; C691-N1061 PolarHBondContact N-OD1 2.77Å; C691-N1061 PolarHBondContact SG-OD1 3.42Å |
| 692 | T | 51.1 | Low | 40.8 | Very low | 72 Ų | 72 | 90.5 Ų | 90.5 | 44% | 0.442 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 3 | -164 | 43.5 | 0 | 0 | 0 | 0 | 115.3 | S690 | S690-T692 VanDerWaalsContact CB-OG1 3.23Å; S690-T692 WeakPolarHBondContact CB-OG1 3.18Å; S690-T692 PolarHBondContact O-N 3.5Å; S690-T692 WeakPolarHBondContact OG-CG2 3.28Å; S690-T692 PolarHBondContact OG-OG1 2.96Å |
| 693 | D | 46.9 | Very low | 39.5 | Very low | 108 Ų | 108 | 92.8 Ų | 92.8 | 58% | 0.578 | 57% | 0.569 | S | S | * | * | trans | -132.8 | 134.8 | 175.5 | -146.4 | -33.4 | 0 | 0 | 0 | 112.2 | R695 | D693-R695 VanDerWaalsContact C-N 3.26Å; D693-R695 PolarHBondContact O-N 3Å | ||
| 694 | G | 41.7 | Very low | 38.7 | Very low | 86 Ų | 86 | 93.7 Ų | 93.7 | 89% | 0.887 | 57% | 0.573 | S | S | * | * | trans | -86.3 | 11.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 695 | R | 36.4 | Very low | 38 | Very low | 210 Ų | 210 | 93.1 Ų | 93.1 | 79% | 0.792 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -92.4 | 138.7 | 178.5 | -70.3 | 179.8 | 167.4 | -171.7 | -4.3 | 110.5 | D693 S697 | D693-R695 VanDerWaalsContact C-N 3.26Å; D693-R695 PolarHBondContact O-N 3Å; R695-S697 PolarHBondContact O-N 3.02Å |
| 696 | S | 34 | Very low | 37.3 | Very low | 88 Ų | 88 | 100.2 Ų | 100.2 | 62% | 0.615 | 58% | 0.577 | S | S | * | * | trans | -55 | 134.5 | -179.2 | -175.8 | 0 | 0 | 0 | 0 | 111.1 | H698 | S696-H698 PolarHBondContact O-N 3.25Å; S696-H698 PolarHBondContact OG-CD2 3.24Å; S696-H698 PolarHBondContact OG-NE2 3.23Å; S696-H698 VanDerWaalsContact OG-NE2 3.11Å | ||
| 697 | S | 29.6 | Very low | 36.4 | Very low | 51 Ų | 51 | 98.7 Ų | 98.7 | 36% | 0.357 | 58% | 0.581 | S | S | . | * | trans | -76 | 65.4 | 173.9 | 50 | 0 | 0 | 0 | 0 | 111.1 | R695 L699 R1023 | R695-S697 PolarHBondContact O-N 3.02Å; S697-L699 PolarHBondContact O-N 3.04Å; S697-R1023 PolarHBondContact OG-NH2 2.95Å | ||
| 698 | H | 30.6 | Very low | 35.6 | Very low | 138 Ų | 138 | 100 Ų | 100 | 64% | 0.639 | 59% | 0.588 | S | S | * | * | trans | -85.9 | 53.8 | 160.8 | -67.7 | -62.4 | 0 | 0 | 0 | 110.2 | S696 | S696-H698 PolarHBondContact O-N 3.25Å; S696-H698 PolarHBondContact OG-CD2 3.24Å; S696-H698 PolarHBondContact OG-NE2 3.23Å; S696-H698 VanDerWaalsContact OG-NE2 3.11Å | ||
| 699 | L | 30.3 | Very low | 34.8 | Very low | 130 Ų | 130 | 105.4 Ų | 105.4 | 68% | 0.681 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -114.3 | 131.2 | 162.4 | -71.8 | 168.5 | 0 | 0 | 0 | 105.3 | S697 | S697-L699 PolarHBondContact O-N 3.04Š|
| 700 | I | 34.5 | Very low | 33.5 | Very low | 87 Ų | 87 | 109.9 Ų | 109.9 | 45% | 0.446 | 63% | 0.629 | S | S | . | * | S | Bend | trans | 71.9 | 43 | -173 | -37.8 | 177 | 0 | 0 | 0 | 113.7 | Y879 L1100 | I700-Y879 WeakPolarHBondContact CG2-OH 3.4Å; I700-Y879 PolarHBondContact O-OH 3.38Å; I700-Y879 VanDerWaalsContact O-OH 3.1Å; I700-L1100 HydrophobicContact CD1-CD2 3.67Å |
| 701 | S | 27.2 | Very low | 32.3 | Very low | 69 Ų | 69 | 116.2 Ų | 116.2 | 48% | 0.483 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -124.9 | 128.1 | 159.7 | 60 | 0 | 0 | 0 | 0 | 110.9 | ||
| 702 | S | 24.9 | Very low | 30.8 | Very low | 109 Ų | 109 | 120.7 Ų | 120.7 | 76% | 0.762 | 67% | 0.673 | S | S | * | * | trans | 50.3 | 97.8 | 173.2 | 59.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 703 | S | 24.8 | Very low | 29.7 | Very low | 120 Ų | 120 | 121.8 Ų | 121.8 | 84% | 0.839 | 68% | 0.677 | S | S | * | * | trans | -144.4 | 22.9 | 164.8 | 74.5 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 704 | T | 26.5 | Very low | 28.7 | Very low | 92 Ų | 92 | 123.8 Ų | 123.8 | 56% | 0.564 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -145.6 | 64.4 | 160.5 | 36 | 0 | 0 | 0 | 0 | 111.6 | Q928 | T704-Q928 PolarHBondContact OG1-NE2 2.86Å; T704-Q928 PolarHBondContact OG1-OE1 2.83Å |
| 705 | T | 25.9 | Very low | 28 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 76% | 0.761 | 68% | 0.677 | S | S | * | * | trans | -138.7 | 77.1 | 169.1 | -34 | 0 | 0 | 0 | 0 | 109.1 | G707 | T705-G707 VanDerWaalsContact C-N 3.26Å; T705-G707 PolarHBondContact O-N 2.9Å | ||
| 706 | Y | 25.7 | Very low | 27.7 | Very low | 251 Ų | 251 | 122.3 Ų | 122.3 | 98% | 0.984 | 68% | 0.68 | S | S | * | * | trans | -77.7 | 75.5 | -178.4 | -116.1 | -89.9 | 0 | 0 | 0 | 110.5 | ||||
| 707 | G | 24.1 | Very low | 27.3 | Very low | 50 Ų | 50 | 126.2 Ų | 126.2 | 52% | 0.515 | 69% | 0.693 | S | S | . | * | trans | -149.5 | 109 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T705 | T705-G707 VanDerWaalsContact C-N 3.26Å; T705-G707 PolarHBondContact O-N 2.9Å | ||
| 708 | N | 25.3 | Very low | 27.3 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 86% | 0.861 | 71% | 0.714 | S | S | * | * | trans | 73.2 | 161.8 | 174.6 | -53 | -49.9 | 0 | 0 | 0 | 117.3 | ||||
| 709 | I | 27 | Very low | 27 | Very low | 156 Ų | 156 | 132.1 Ų | 132.1 | 80% | 0.8 | 73% | 0.728 | S | S | * | * | trans | 69 | 86.6 | -178.9 | -47.9 | 175.7 | 0 | 0 | 0 | 112.2 | ||||
| 710 | L | 25.3 | Very low | 26.9 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 70% | 0.696 | 73% | 0.733 | S | S | * | * | 52.6 | 108.2 | 60.7 | -72.8 | 167.6 | 0 | 0 | 0 | 115.4 | |||||
| 711 | K | 26.4 | Very low | 26.4 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | trans | 68.4 | 142 | 162.2 | -51.5 | 168.5 | -175.8 | 176.3 | 0 | 113.8 | ||||
| 712 | D | 29.3 | Very low | 26.3 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | cis | -149.6 | -170 | 33.1 | -136.2 | -54.8 | 0 | 0 | 0 | 114.4 | ||||
| 713 | N | 27 | Very low | 26.4 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 51% | 0.513 | 74% | 0.737 | S | S | . | * | trans | -75.8 | 154.3 | -158.8 | -78.3 | -86.5 | 0 | 0 | 0 | 118.7 | ||||
| 714 | Q | 26.4 | Very low | 26.6 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 70% | 0.701 | 72% | 0.722 | S | S | * | * | trans | -0.6 | 130.6 | 145.8 | -51.2 | 176.8 | 2.1 | 0 | 0 | 118.7 | ||||
| 715 | N | 27.2 | Very low | 26.6 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | 168.6 | 130.5 | 102.8 | -93.8 | -65.3 | 0 | 0 | 0 | 114.1 | |||||
| 716 | S | 29.4 | Very low | 26.6 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 85% | 0.853 | 71% | 0.711 | S | S | * | * | 166.2 | 147.2 | 129.7 | 46.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 717 | N | 25.9 | Very low | 26.8 | Very low | 169 Ų | 169 | 129.2 Ų | 129.2 | 90% | 0.904 | 71% | 0.708 | S | S | * | * | trans | -114.1 | 140.1 | 178.9 | -71.2 | -51.4 | 0 | 0 | 0 | 111.1 | ||||
| 718 | S | 29.1 | Very low | 26.7 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | -160.8 | 108.3 | 156.6 | 60.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 719 | H | 25.7 | Very low | 26.8 | Very low | 200 Ų | 200 | 130.6 Ų | 130.6 | 93% | 0.926 | 72% | 0.72 | S | S | * | * | trans | 10.8 | 140.9 | 151.5 | -61.7 | -89 | 0 | 0 | 0 | 123.6 | ||||
| 720 | G | 27.4 | Very low | 26.6 | Very low | 77 Ų | 77 | 128.6 Ų | 128.6 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | trans | 179.9 | 120 | 155.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 721 | T | 23.9 | Very low | 26.8 | Very low | 114 Ų | 114 | 126.6 Ų | 126.6 | 70% | 0.699 | 72% | 0.716 | S | S | * | * | trans | -141 | 143.6 | -169 | 53.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 722 | F | 25.9 | Very low | 26.8 | Very low | 171 Ų | 171 | 122.1 Ų | 122.1 | 75% | 0.75 | 70% | 0.704 | S | S | * | * | trans | -159 | 148.2 | 170 | -115.3 | -95.2 | 0 | 0 | 0 | 111.1 | F828 | F722-F828 CarbonylContact O-C 3.48Š| ||
| 723 | S | 27.1 | Very low | 26.8 | Very low | 47 Ų | 47 | 121.4 Ų | 121.4 | 33% | 0.329 | 71% | 0.705 | S | S | . | * | cis | -170.6 | 21.3 | 13.6 | -43.4 | 0 | 0 | 0 | 0 | 118.4 | F828 H829 | S723-F828 WeakPolarHBondContact OG-CB 3.49Å; S723-F828 WeakPolarHBondContact OG-CD1 3.46Å; S723-F828 VanDerWaalsContact OG-CG 3.24Å; S723-F828 WeakPolarHBondContact OG-CG 3.27Å; S723-H829 VanDerWaalsContact C-CB 3.46Å | ||
| 724 | K | 28.8 | Very low | 27 | Very low | 122 Ų | 122 | 121.4 Ų | 121.4 | 53% | 0.53 | 71% | 0.712 | S | S | . | * | trans | 153 | -113.7 | -166.9 | 177.7 | 160.2 | -88.9 | 140.4 | 0 | 117.1 | N826 S827 F828 H829 | K724-N826 PolarHBondContact NZ-O 2.77Å; K724-S827 PolarHBondContact NZ-OG 3.45Å; K724-S827 WeakPolarHBondContact O-CB 3.49Å; K724-F828 HydrophobicContact CB-CD1 4.48Å; K724-F828 CarbonylContact O-C 3.56Å; K724-F828 WeakPolarHBondContact O-CA 3.39Å; K724-H829 VanDerWaalsContact C-CB 3.49Å; K724-H829 VanDerWaalsContact CA-CG 3.47Å; K724-H829 PolarHBondContact O-N 2.86Å; K724-H829 VanDerWaalsContact O-N 3.16Å | ||
| 725 | T | 26.3 | Very low | 27.1 | Very low | 62 Ų | 62 | 117.8 Ų | 117.8 | 38% | 0.38 | 70% | 0.703 | S | S | . | * | cis | -120.5 | -121.1 | -21.3 | -71.3 | 0 | 0 | 0 | 0 | 105.9 | H829 F830 S831 | T725-H829 WeakPolarHBondContact CA-CD2 3.23Å; T725-H829 WeakPolarHBondContact CA-CE1 3.15Å; T725-H829 WeakPolarHBondContact CA-ND1 3.41Å; T725-H829 WeakPolarHBondContact CA-NE2 3.16Å; T725-H829 WeakPolarHBondContact CB-CD2 3.4Å; T725-H829 WeakPolarHBondContact CB-CE1 3.44Å; T725-H829 WeakPolarHBondContact CB-ND1 3.01Å; T725-H829 WeakPolarHBondContact CB-NE2 3.29Å; T725-H829 WeakPolarHBondContact CG2-CD2 3.17Å; T725-H829 WeakPolarHBondContact CG2-CE1 3.4Å; T725-H829 WeakPolarHBondContact CG2-NE2 3.46Å; T725-H829 PolarHBondContact N-CD2 3.36Å; T725-H829 PolarHBondContact N-ND1 3.26Å; T725-H829 WeakPolarHBondContact OG1-CB 3.22Å; T725-H829 PolarHBondContact OG1-CD2 3.02Å; T725-H829 PolarHBondContact OG1-ND1 3.47Å; T725-H829 PolarHBondContact OG1-NE2 2.94Å; T725-F830 WeakPolarHBondContact OG1-CA 3.21Å; T725-F830 VanDerWaalsContact OG1-CD1 3.3Å; T725-F830 WeakPolarHBondContact OG1-CD1 3.4Å; T725-F830 WeakPolarHBondContact OG1-CG 3.39Å; T725-S831 PolarHBondContact OG1-N 3.35Å | ||
| 726 | V | 26.4 | Very low | 27.2 | Very low | 117 Ų | 117 | 113.8 Ų | 113.8 | 71% | 0.709 | 69% | 0.689 | S | S | * | * | trans | -171.2 | 155.6 | -142.4 | 163.2 | 0 | 0 | 0 | 0 | 114.6 | H829 | V726-H829 PolarHBondContact N-CE1 3.08Å; V726-H829 PolarHBondContact N-NE2 2.76Å; V726-H829 VanDerWaalsContact N-NE2 3.19Å | ||
| 727 | K | 28.3 | Very low | 27.3 | Very low | 211 Ų | 211 | 112.2 Ų | 112.2 | 92% | 0.917 | 68% | 0.684 | S | S | * | * | trans | 62.8 | 126.3 | 170.7 | -83.4 | 176.3 | -175.7 | 177.2 | 0 | 119.1 | ||||
| 728 | G | 23.8 | Very low | 27.5 | Very low | 75 Ų | 75 | 111 Ų | 111 | 77% | 0.773 | 67% | 0.671 | S | S | * | * | cis | 146.4 | 47.8 | -1.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 729 | I | 26.1 | Very low | 27.3 | Very low | 166 Ų | 166 | 110.2 Ų | 110.2 | 85% | 0.851 | 66% | 0.664 | S | S | * | * | trans | -152.5 | 154.1 | 172.7 | -97.2 | 152.5 | 0 | 0 | 0 | 107.5 | S731 | I729-S731 PolarHBondContact O-N 3.08Š| ||
| 730 | C | 23.9 | Very low | 27.5 | Very low | 114 Ų | 114 | 110.4 Ų | 110.4 | 77% | 0.77 | 66% | 0.663 | S | S | * | * | trans | -61.4 | 118.5 | 179.8 | -57.9 | 0 | 0 | 0 | 0 | 112.2 | C732 | C730-C732 PolarHBondContact O-N 2.99Š| ||
| 731 | S | 28.1 | Very low | 27.6 | Very low | 91 Ų | 91 | 111.6 Ų | 111.6 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | trans | -85.4 | 89.9 | -179.7 | -176.5 | 0 | 0 | 0 | 0 | 111.4 | I729 T733 | I729-S731 PolarHBondContact O-N 3.08Å; S731-T733 PolarHBondContact O-N 3.02Å; S731-T733 PolarHBondContact O-OG1 2.69Å; S731-T733 VanDerWaalsContact OG-CG2 3.29Å; S731-T733 WeakPolarHBondContact OG-CG2 3.41Å; S731-T733 PolarHBondContact OG-OG1 2.97Å; S731-T733 VanDerWaalsContact OG-OG1 3.07Å | ||
| 732 | C | 27.8 | Very low | 27.9 | Very low | 71 Ų | 71 | 108.9 Ų | 108.9 | 48% | 0.48 | 64% | 0.635 | S | S | . | * | trans | -73 | 42.6 | 177.7 | -64.9 | 0 | 0 | 0 | 0 | 113.5 | C730 S734 C735 A736 | C730-C732 PolarHBondContact O-N 2.99Å; C732-S734 VanDerWaalsContact C-N 3.26Å; C732-S734 PolarHBondContact O-N 2.76Å; C732-S734 VanDerWaalsContact O-N 3.13Å; C732-C735 HydrophobicContact CB-CB 4.25Å; C732-C735 PolarHBondContact O-N 2.84Å; C732-A736 HydrophobicContact CB-CB 4.08Å; C732-A736 WeakPolarHBondContact O-CB 3.19Å; C732-A736 PolarHBondContact O-N 2.62Å | ||
| 733 | T | 28.6 | Very low | 28 | Very low | 119 Ų | 119 | 104.1 Ų | 104.1 | 73% | 0.73 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -3.1 | -165.8 | 31.2 | 0 | 0 | 0 | 0 | 116.6 | S731 | S731-T733 PolarHBondContact O-N 3.02Å; S731-T733 PolarHBondContact O-OG1 2.69Å; S731-T733 VanDerWaalsContact OG-CG2 3.29Å; S731-T733 WeakPolarHBondContact OG-CG2 3.41Å; S731-T733 PolarHBondContact OG-OG1 2.97Å; S731-T733 VanDerWaalsContact OG-OG1 3.07Å |
| 734 | S | 31.1 | Very low | 28.1 | Very low | 96 Ų | 96 | 107.7 Ų | 107.7 | 67% | 0.671 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.4 | -1.5 | 161.4 | -54.8 | 0 | 0 | 0 | 0 | 113.7 | C732 F738 | C732-S734 VanDerWaalsContact C-N 3.26Å; C732-S734 PolarHBondContact O-N 2.76Å; C732-S734 VanDerWaalsContact O-N 3.13Å; S734-F738 WeakPolarHBondContact O-CD2 3.09Å |
| 735 | C | 27.9 | Very low | 28.1 | Very low | 74 Ų | 74 | 106.8 Ų | 106.8 | 50% | 0.5 | 64% | 0.635 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.8 | -35.2 | -178.9 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | C732 A737 F738 C739 | C732-C735 HydrophobicContact CB-CB 4.25Å; C732-C735 PolarHBondContact O-N 2.84Å; C735-A737 PolarHBondContact O-N 2.6Å; C735-F738 PolarHBondContact O-N 3.41Å; C735-C739 PolarHBondContact O-N 2.59Å; C735-C739 PolarHBondContact O-SG 2.86Å |
| 736 | A | 30 | Very low | 28.3 | Very low | 58 Ų | 58 | 109.6 Ų | 109.6 | 48% | 0.479 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.9 | -25.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | C732 F738 | C732-A736 HydrophobicContact CB-CB 4.08Å; C732-A736 WeakPolarHBondContact O-CB 3.19Å; C732-A736 PolarHBondContact O-N 2.62Å; A736-F738 VanDerWaalsContact C-N 3.32Å |
| 737 | A | 30.6 | Very low | 28.5 | Very low | 90 Ų | 90 | 108.2 Ų | 108.2 | 74% | 0.744 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -13.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | C735 | C735-A737 PolarHBondContact O-N 2.6Š|
| 738 | F | 30.9 | Very low | 28.6 | Very low | 143 Ų | 143 | 106.3 Ų | 106.3 | 63% | 0.627 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -3.9 | -178.4 | -82.8 | -101.8 | 0 | 0 | 0 | 113.5 | S734 C735 A736 | S734-F738 WeakPolarHBondContact O-CD2 3.09Å; C735-F738 PolarHBondContact O-N 3.41Å; A736-F738 VanDerWaalsContact C-N 3.32Å |
| 739 | C | 25.7 | Very low | 28.8 | Very low | 97 Ų | 97 | 108.9 Ų | 108.9 | 66% | 0.655 | 64% | 0.643 | S | S | * | * | trans | -119.9 | 29.7 | -168 | -64.9 | 0 | 0 | 0 | 0 | 114.9 | C735 | C735-C739 PolarHBondContact O-N 2.59Å; C735-C739 PolarHBondContact O-SG 2.86Å | ||
| 740 | F | 28 | Very low | 29 | Very low | 204 Ų | 204 | 106.6 Ų | 106.6 | 90% | 0.895 | 63% | 0.633 | S | S | * | * | trans | -93.9 | 109.3 | 166.3 | -91.9 | -87.3 | 0 | 0 | 0 | 111.5 | ||||
| 741 | N | 30.8 | Very low | 29.2 | Very low | 102 Ų | 102 | 108.4 Ų | 108.4 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | trans | -73.1 | 174.1 | -172.3 | -126.4 | -24.2 | 0 | 0 | 0 | 112.2 | S743 I744 | N741-S743 PolarHBondContact OD1-N 2.95Å; N741-I744 WeakPolarHBondContact ND2-CD1 3.38Å | ||
| 742 | P | 30.3 | Very low | 29.2 | Very low | 57 Ų | 57 | 110.8 Ų | 110.8 | 37% | 0.37 | 63% | 0.633 | S | S | . | * | cis | -143.5 | 118.4 | 45.6 | 31.3 | -6.7 | 0 | 0 | 0 | 118.1 | H569 Y602 | H569-P742 PolarHBondContact ND1-O 3.31Å; Y602-P742 HydrophobicContact CD2-CG 4.34Å | ||
| 743 | S | 28.6 | Very low | 29.3 | Very low | 71 Ų | 71 | 119.2 Ų | 119.2 | 50% | 0.497 | 66% | 0.655 | S | S | . | * | trans | -148.9 | 85.5 | 149.2 | -68.4 | 0 | 0 | 0 | 0 | 109.7 | I568 N741 | I568-S743 PolarHBondContact O-OG 3.39Å; N741-S743 PolarHBondContact OD1-N 2.95Å | ||
| 744 | I | 28.6 | Very low | 29.4 | Very low | 122 Ų | 122 | 120.8 Ų | 120.8 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | trans | -142.8 | 113.1 | 171.9 | -60.6 | -175.6 | 0 | 0 | 0 | 109.3 | E570 N741 | E570-I744 VanDerWaalsContact OE2-C 3.24Å; E570-I744 PolarHBondContact OE2-N 2.83Å; N741-I744 WeakPolarHBondContact ND2-CD1 3.38Å | ||
| 745 | H | 29 | Very low | 29.5 | Very low | 103 Ų | 103 | 121.2 Ų | 121.2 | 48% | 0.477 | 66% | 0.659 | S | S | . | * | trans | -144.8 | 116.6 | 147.4 | -105.7 | -80.4 | 0 | 0 | 0 | 111.6 | P541 E570 | P541-H745 HydrophobicContact CG-CB 4.22Å; E570-H745 PolarHBondContact OE2-N 3.16Å | ||
| 746 | L | 28.9 | Very low | 29.4 | Very low | 120 Ų | 120 | 123.9 Ų | 123.9 | 63% | 0.628 | 67% | 0.668 | S | S | * | * | -164 | 125 | 121.9 | -105.6 | 160.4 | 0 | 0 | 0 | 112.6 | L540 P541 | L540-L746 HydrophobicContact CD2-CD1 4.29Å; P541-L746 HydrophobicContact CG-CG 4.33Å | |||
| 747 | S | 32 | Very low | 29.2 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 62% | 0.615 | 68% | 0.682 | S | S | * | * | trans | 40.9 | 95.4 | 157.7 | 57.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 748 | N | 28.9 | Very low | 29 | Very low | 172 Ų | 172 | 135.3 Ų | 135.3 | 92% | 0.92 | 69% | 0.686 | S | S | * | * | -76.5 | 144.9 | 127.9 | -90.3 | -20.4 | 0 | 0 | 0 | 108.7 | |||||
| 749 | T | 29.6 | Very low | 28.8 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | trans | -124.6 | 153.4 | 161.3 | 39.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 750 | D | 29.6 | Very low | 28.7 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | trans | 69.6 | 100.1 | 169.4 | -84.2 | -5.4 | 0 | 0 | 0 | 121.8 | ||||
| 751 | K | 27.9 | Very low | 28.6 | Very low | 152 Ų | 152 | 135.4 Ų | 135.4 | 66% | 0.661 | 69% | 0.693 | S | S | * | * | 85.9 | 110 | 118.6 | -70.7 | 163.9 | -173.1 | 144.6 | 0 | 120.7 | |||||
| 752 | N | 28.2 | Very low | 28.4 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | 67.5 | 93.6 | 124.1 | -56.5 | -13.8 | 0 | 0 | 0 | 119.6 | |||||
| 753 | R | 30.7 | Very low | 28.2 | Very low | 248 Ų | 248 | 142.5 Ų | 142.5 | 94% | 0.936 | 72% | 0.717 | S | S | * | * | -175 | 125.3 | 97.6 | -97.4 | 164.9 | -178 | -178 | 1.3 | 113.3 | |||||
| 754 | N | 30.6 | Very low | 27.9 | Very low | 152 Ų | 152 | 144 Ų | 144 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | trans | -79.7 | 172.7 | 155.9 | -123.5 | -16.5 | 0 | 0 | 0 | 108.2 | ||||
| 755 | P | 31.7 | Very low | 27.8 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 68% | 0.682 | 74% | 0.737 | S | S | * | * | cis | -149 | -170.6 | 31.8 | 44.9 | -24.1 | 0 | 0 | 0 | 118.1 | ||||
| 756 | L | 26.7 | Very low | 27.7 | Very low | 131 Ų | 131 | 146 Ų | 146 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | trans | 80.5 | 92 | 155.4 | -65.4 | 175.2 | 0 | 0 | 0 | 120.8 | ||||
| 757 | Q | 25.8 | Very low | 27.6 | Very low | 167 Ų | 167 | 149.8 Ų | 149.8 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | 44.6 | 122.3 | 113.5 | -62.7 | 176 | -5.5 | 0 | 0 | 119.8 | |||||
| 758 | R | 26.6 | Very low | 27.3 | Very low | 220 Ų | 220 | 151.5 Ų | 151.5 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | -171 | 133.4 | 103 | -102.5 | 179.9 | 178.9 | -174.9 | -0.5 | 114.5 | |||||
| 759 | F | 26.9 | Very low | 27.1 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | trans | 58.5 | 116.7 | 155.2 | -71.8 | -73.4 | 0 | 0 | 0 | 123.3 | ||||
| 760 | N | 23.7 | Very low | 27 | Very low | 140 Ų | 140 | 150 Ų | 150 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | -47.5 | 153.8 | 144.5 | -43.9 | -27 | 0 | 0 | 0 | 110.6 | ||||
| 761 | T | 25.5 | Very low | 26.7 | Very low | 123 Ų | 123 | 150.7 Ų | 150.7 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | -174.3 | 153.5 | 74.8 | 36 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 762 | H | 26.3 | Very low | 26.5 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 70% | 0.704 | 78% | 0.779 | S | S | * | * | trans | 63.9 | 119.7 | 144.4 | -77.9 | -114.4 | 0 | 0 | 0 | 124.5 | ||||
| 763 | Q | 25.7 | Very low | 26.4 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | 74.6 | 97.1 | 129 | -72.7 | 168.8 | -40.2 | 0 | 0 | 123.3 | |||||
| 764 | S | 23.6 | Very low | 26.2 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | 26.2 | 116 | 115.4 | 60.3 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 765 | S | 25.8 | Very low | 26.2 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 170.5 | 87.5 | 130.6 | 42.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 766 | I | 26.8 | Very low | 25.9 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -143 | 144.2 | 166.3 | -44.4 | 177.3 | 0 | 0 | 0 | 109.5 | ||||
| 767 | F | 27.1 | Very low | 26 | Very low | 201 Ų | 201 | 143.9 Ų | 143.9 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | trans | 73.2 | 62.6 | 176.7 | -60.7 | -66.7 | 0 | 0 | 0 | 117.8 | ||||
| 768 | S | 24.8 | Very low | 26.2 | Very low | 124 Ų | 124 | 142.9 Ų | 142.9 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | -92.5 | 159.7 | 128.8 | 61.1 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 769 | G | 25.5 | Very low | 26.3 | Very low | 70 Ų | 70 | 135.2 Ų | 135.2 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | 102.9 | 66.7 | 165 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 770 | K | 26.8 | Very low | 26.6 | Very low | 198 Ų | 198 | 131.4 Ų | 131.4 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | -169.6 | 106.6 | 127.3 | -106 | 165.5 | -174.8 | 179 | 0 | 113.4 | |||||
| 771 | T | 23.7 | Very low | 27.1 | Very low | 134 Ų | 134 | 129.9 Ų | 129.9 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | trans | 18.7 | 134.5 | 138.3 | 54.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 772 | A | 24.8 | Very low | 27.4 | Very low | 83 Ų | 83 | 130.9 Ų | 130.9 | 69% | 0.686 | 73% | 0.725 | S | S | * | * | trans | 108.8 | 90.7 | 158 | 0 | 0 | 0 | 0 | 0 | 117.3 | T774 | A772-T774 PolarHBondContact O-N 3.18Š| ||
| 773 | I | 24.6 | Very low | 27.7 | Very low | 176 Ų | 176 | 132 Ų | 132 | 90% | 0.903 | 73% | 0.728 | S | S | * | * | trans | 26.9 | 90.3 | 141.6 | -44.1 | 175.7 | 0 | 0 | 0 | 116.2 | ||||
| 774 | T | 27.7 | Very low | 28.2 | Very low | 131 Ų | 131 | 126 Ų | 126 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | trans | -141.8 | 131.3 | 167.2 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | A772 | A772-T774 PolarHBondContact O-N 3.18Š| ||
| 775 | D | 29 | Very low | 29.2 | Very low | 145 Ų | 145 | 124.5 Ų | 124.5 | 78% | 0.775 | 69% | 0.689 | S | S | * | * | trans | -68.4 | 135.6 | -170.5 | -56.8 | -75.2 | 0 | 0 | 0 | 115.7 | F777 | D775-F777 PolarHBondContact O-N 3.23Å; D775-F777 VanDerWaalsContact O-N 3.09Å | ||
| 776 | H | 26.5 | Very low | 29.9 | Very low | 173 Ų | 173 | 126.6 Ų | 126.6 | 80% | 0.801 | 68% | 0.679 | S | S | * | * | trans | -68.5 | 92.4 | 165.9 | -90.7 | -62.6 | 0 | 0 | 0 | 112 | R175 | R175-H776 VanDerWaalsContact CZ-O 3.31Å; R175-H776 PolarHBondContact NE-O 2.84Å; R175-H776 PolarHBondContact NH2-O 3.22Å | ||
| 777 | F | 29.4 | Very low | 30.5 | Very low | 77 Ų | 77 | 122.6 Ų | 122.6 | 34% | 0.338 | 66% | 0.661 | S | S | . | * | trans | -143.1 | 16.6 | 171.4 | -122.2 | -89.3 | 0 | 0 | 0 | 119.8 | R175 D775 G779 | R175-F777 HydrophobicContact CB-CD1 3.12Å; R175-F777 HydrophobicContact CB-CD2 3.87Å; R175-F777 HydrophobicContact CB-CE1 2.65Å; R175-F777 HydrophobicContact CB-CE2 3.52Å; R175-F777 HydrophobicContact CB-CG 3.73Å; R175-F777 HydrophobicContact CB-CZ 2.87Å; R175-F777 HydrophobicContact CG-CB 3.66Å; R175-F777 HydrophobicContact CG-CD1 2.3Å; R175-F777 HydrophobicContact CG-CD2 2.3Å; R175-F777 HydrophobicContact CG-CE1 2.31Å; R175-F777 HydrophobicContact CG-CE2 2.31Å; R175-F777 HydrophobicContact CG-CG 2.32Å; R175-F777 HydrophobicContact CG-CZ 2.3Å; D775-F777 PolarHBondContact O-N 3.23Å; D775-F777 VanDerWaalsContact O-N 3.09Å; F777-G779 PolarHBondContact O-N 2.86Å | ||
| 778 | N | 29.1 | Very low | 31.4 | Very low | 145 Ų | 145 | 115 Ų | 115 | 78% | 0.775 | 63% | 0.629 | S | S | * | * | trans | -81.4 | 119.3 | 178 | -68 | -28.3 | 0 | 0 | 0 | 112.3 | ||||
| 779 | G | 28.8 | Very low | 32.5 | Very low | 60 Ų | 60 | 116 Ų | 116 | 62% | 0.619 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 175.5 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | F777 | F777-G779 PolarHBondContact O-N 2.86Š|
| 780 | D | 34.1 | Very low | 33.4 | Very low | 103 Ų | 103 | 114.7 Ų | 114.7 | 55% | 0.551 | 59% | 0.589 | S | S | * | * | trans | -94.3 | -2.7 | -174.2 | -86.9 | -61.7 | 0 | 0 | 0 | 115.3 | E782 K783 T784 | D780-E782 VanDerWaalsContact C-N 3.26Å; D780-E782 PolarHBondContact O-N 3.13Å; D780-K783 PolarHBondContact O-N 3.38Å; D780-T784 HydrophobicContact CB-CG2 3.87Å; D780-T784 WeakPolarHBondContact O-CB 3.24Å; D780-T784 WeakPolarHBondContact O-CG2 3.28Å; D780-T784 PolarHBondContact O-N 2.79Å; D780-T784 PolarHBondContact O-OG1 3.14Å | ||
| 781 | Y | 32.6 | Very low | 34.3 | Very low | 109 Ų | 109 | 108.1 Ų | 108.1 | 43% | 0.427 | 56% | 0.564 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.4 | 7.5 | -155 | -119.1 | -67.5 | 0 | 0 | 0 | 118.4 | E179 T784 T785 | E179-Y781 PolarHBondContact OE1-OH 2.83Å; Y781-T784 WeakPolarHBondContact CA-OG1 3.18Å; Y781-T784 PolarHBondContact O-OG1 2.97Å; Y781-T785 WeakPolarHBondContact O-CG2 3.41Å |
| 782 | E | 33 | Very low | 35.5 | Very low | 143 Ų | 143 | 104.1 Ų | 104.1 | 67% | 0.668 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.1 | -43.3 | 170.8 | -77.9 | -169.9 | 139.9 | 0 | 0 | 114.3 | D780 T784 T785 | D780-E782 VanDerWaalsContact C-N 3.26Å; D780-E782 PolarHBondContact O-N 3.13Å; E782-T784 VanDerWaalsContact C-N 3.31Å; E782-T784 PolarHBondContact N-OG1 3.24Å; E782-T784 PolarHBondContact O-N 3.19Å; E782-T785 PolarHBondContact O-N 2.86Å; E782-T785 PolarHBondContact O-OG1 3.1Å |
| 783 | K | 32.6 | Very low | 36.7 | Very low | 175 Ų | 175 | 102 Ų | 102 | 76% | 0.761 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 176.1 | -77.6 | 179.9 | 179.9 | 170.6 | 0 | 111.1 | D780 T785 R786 V787 | D780-K783 PolarHBondContact O-N 3.38Å; K783-T785 PolarHBondContact O-N 3.46Å; K783-R786 PolarHBondContact O-N 2.75Å; K783-V787 WeakPolarHBondContact O-CG2 3.39Å; K783-V787 PolarHBondContact O-N 2.77Å |
| 784 | T | 35.7 | Very low | 37.8 | Very low | 30 Ų | 30 | 98.8 Ų | 98.8 | 18% | 0.184 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -35.1 | -63.3 | 163.5 | 40.9 | 0 | 0 | 0 | 0 | 112.3 | D780 Y781 E782 R786 V787 E788 | D780-T784 HydrophobicContact CB-CG2 3.87Å; D780-T784 WeakPolarHBondContact O-CB 3.24Å; D780-T784 WeakPolarHBondContact O-CG2 3.28Å; D780-T784 PolarHBondContact O-N 2.79Å; D780-T784 PolarHBondContact O-OG1 3.14Å; Y781-T784 WeakPolarHBondContact CA-OG1 3.18Å; Y781-T784 PolarHBondContact O-OG1 2.97Å; E782-T784 VanDerWaalsContact C-N 3.31Å; E782-T784 PolarHBondContact N-OG1 3.24Å; E782-T784 PolarHBondContact O-N 3.19Å; T784-R786 PolarHBondContact O-N 3.24Å; T784-V787 CarbonylContact O-C 3.55Å; T784-V787 WeakPolarHBondContact O-CA 3.45Å; T784-V787 PolarHBondContact O-N 3.27Å; T784-E788 WeakPolarHBondContact CA-OE1 3.32Å; T784-E788 WeakPolarHBondContact CB-OE1 3.44Å; T784-E788 WeakPolarHBondContact CB-OE2 3Å; T784-E788 VanDerWaalsContact CG2-OE1 3.29Å; T784-E788 WeakPolarHBondContact CG2-OE1 3.06Å; T784-E788 PolarHBondContact O-N 3.29Å; T784-E788 VanDerWaalsContact O-OE1 3.09Å; T784-E788 VanDerWaalsContact O-OE2 3.04Å |
| 785 | T | 44.1 | Very low | 39 | Very low | 70 Ų | 70 | 93.3 Ų | 93.3 | 43% | 0.429 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -53.9 | -31.6 | -171.4 | 69.6 | 0 | 0 | 0 | 0 | 115 | Y781 E782 K783 E788 R789 | Y781-T785 WeakPolarHBondContact O-CG2 3.41Å; E782-T785 PolarHBondContact O-N 2.86Å; E782-T785 PolarHBondContact O-OG1 3.1Å; K783-T785 PolarHBondContact O-N 3.46Å; T785-E788 PolarHBondContact N-OE2 3.44Å; T785-R789 WeakPolarHBondContact O-CB 3.21Å; T785-R789 PolarHBondContact O-N 3.15Å |
| 786 | R | 40.2 | Very low | 40.2 | Very low | 162 Ų | 162 | 88.1 Ų | 88.1 | 61% | 0.611 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -82.2 | -33.8 | 175.7 | -175.9 | 171.5 | 171.3 | 166 | -4.7 | 112.3 | K783 T784 L790 E1439 | K783-R786 PolarHBondContact O-N 2.75Å; T784-R786 PolarHBondContact O-N 3.24Å; R786-L790 PolarHBondContact O-N 3.48Å; R786-L790 VanDerWaalsContact O-N 3.08Å; R786-E1439 IonicContact CZ-OE1 3.23Å; R786-E1439 IonicContact NH1-OE1 3.54Å; R786-E1439 PolarHBondContact NH1-OE1 3.33Å |
| 787 | V | 41 | Very low | 41.3 | Very low | 65 Ų | 65 | 84.1 Ų | 84.1 | 39% | 0.394 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -76.8 | -48 | 177.5 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | K783 T784 R789 L790 D791 | K783-V787 WeakPolarHBondContact O-CG2 3.39Å; K783-V787 PolarHBondContact O-N 2.77Å; T784-V787 CarbonylContact O-C 3.55Å; T784-V787 WeakPolarHBondContact O-CA 3.45Å; T784-V787 PolarHBondContact O-N 3.27Å; V787-R789 PolarHBondContact O-N 2.84Å; V787-L790 CarbonylContact O-C 3.45Å; V787-L790 WeakPolarHBondContact O-CA 2.95Å; V787-L790 VanDerWaalsContact O-CB 3.23Å; V787-L790 WeakPolarHBondContact O-CB 3.08Å; V787-L790 PolarHBondContact O-N 2.03Å; V787-D791 WeakPolarHBondContact O-CB 3.44Å; V787-D791 PolarHBondContact O-N 2.87Å |
| 788 | E | 45.9 | Very low | 42.2 | Very low | 43 Ų | 43 | 82.1 Ų | 82.1 | 20% | 0.201 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.1 | -31.5 | 171.6 | -69.5 | 101 | -124 | 0 | 0 | 111.9 | E179 R183 T784 T785 D791 M792 | E179-E788 VanDerWaalsContact OE2-CD 3.22Å; R183-E788 IonicContact CZ-OE2 3.88Å; R183-E788 VanDerWaalsContact NH1-CG 3.31Å; R183-E788 IonicContact NH1-OE2 2.71Å; R183-E788 PolarHBondContact NH1-OE2 2.04Å; R183-E788 IonicContact NH2-OE2 3.73Å; R183-E788 PolarHBondContact NH2-OE2 3.43Å; T784-E788 WeakPolarHBondContact CA-OE1 3.32Å; T784-E788 WeakPolarHBondContact CB-OE1 3.44Å; T784-E788 WeakPolarHBondContact CB-OE2 3Å; T784-E788 VanDerWaalsContact CG2-OE1 3.29Å; T784-E788 WeakPolarHBondContact CG2-OE1 3.06Å; T784-E788 PolarHBondContact O-N 3.29Å; T784-E788 VanDerWaalsContact O-OE1 3.09Å; T784-E788 VanDerWaalsContact O-OE2 3.04Å; T785-E788 PolarHBondContact N-OE2 3.44Å; E788-D791 PolarHBondContact O-N 3.01Å; E788-M792 WeakPolarHBondContact O-CA 3.38Å; E788-M792 WeakPolarHBondContact O-CB 3.38Å; E788-M792 PolarHBondContact O-N 3.37Å |
| 789 | R | 46.3 | Very low | 43.3 | Very low | 143 Ų | 143 | 75.2 Ų | 75.2 | 54% | 0.54 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -74.5 | -27.7 | 175.1 | -165.1 | 175.9 | -165.9 | -179.3 | 4.8 | 112.4 | Y184 T785 V787 I793 | Y184-R789 PolarHBondContact OH-NE 2.97Å; T785-R789 WeakPolarHBondContact O-CB 3.21Å; T785-R789 PolarHBondContact O-N 3.15Å; V787-R789 PolarHBondContact O-N 2.84Å; R789-I793 WeakPolarHBondContact O-CB 3.15Å; R789-I793 WeakPolarHBondContact O-CD1 3.35Å; R789-I793 WeakPolarHBondContact O-CG1 3.28Å; R789-I793 PolarHBondContact O-N 3.34Å |
| 790 | L | 44.9 | Very low | 44.6 | Very low | 43 Ų | 43 | 75.8 Ų | 75.8 | 23% | 0.225 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 165.4 | -93.2 | 161 | 0 | 0 | 0 | 111.2 | R786 V787 I793 R794 Q1391 | R786-L790 PolarHBondContact O-N 3.48Å; R786-L790 VanDerWaalsContact O-N 3.08Å; V787-L790 CarbonylContact O-C 3.45Å; V787-L790 WeakPolarHBondContact O-CA 2.95Å; V787-L790 VanDerWaalsContact O-CB 3.23Å; V787-L790 WeakPolarHBondContact O-CB 3.08Å; V787-L790 PolarHBondContact O-N 2.03Å; L790-I793 PolarHBondContact O-N 2.74Å; L790-R794 WeakPolarHBondContact O-CG 3.38Å; L790-R794 PolarHBondContact O-N 3.01Å; L790-Q1391 VanDerWaalsContact CD2-NE2 3.33Å; L790-Q1391 VanDerWaalsContact CD2-OE1 3.29Å |
| 791 | D | 47.2 | Very low | 45.2 | Very low | 61 Ų | 61 | 76.4 Ų | 76.4 | 33% | 0.326 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -85.7 | -28 | -170.7 | -67.8 | -15.5 | 0 | 0 | 0 | 112.9 | R373 V787 E788 R794 F795 | R373-D791 IonicContact CZ-OD1 2.74Å; R373-D791 IonicContact NH1-OD1 3.43Å; R373-D791 PolarHBondContact NH1-OD1 3.25Å; R373-D791 IonicContact NH1-OD2 3.62Å; R373-D791 PolarHBondContact NH1-OD2 3.31Å; R373-D791 VanDerWaalsContact NH1-OD2 3.09Å; V787-D791 WeakPolarHBondContact O-CB 3.44Å; V787-D791 PolarHBondContact O-N 2.87Å; E788-D791 PolarHBondContact O-N 3.01Å; D791-R794 PolarHBondContact O-N 3.47Å; D791-R794 WeakPolarHBondContact OD1-CD 3.34Å; D791-F795 WeakPolarHBondContact O-CB 3.41Å; D791-F795 PolarHBondContact O-N 3.43Å |
| 792 | M | 48 | Very low | 45.9 | Very low | 49 Ų | 49 | 73.2 Ų | 73.2 | 24% | 0.241 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | 162.3 | -169.4 | -155.5 | 83.7 | 0 | 0 | 110.3 | Y184 E788 F795 E796 | Y184-M792 HydrophobicContact CD2-SD 4.05Å; Y184-M792 HydrophobicContact CE2-CE 4.02Å; Y184-M792 HydrophobicContact CE2-SD 3.73Å; E788-M792 WeakPolarHBondContact O-CA 3.38Å; E788-M792 WeakPolarHBondContact O-CB 3.38Å; E788-M792 PolarHBondContact O-N 3.37Å; M792-F795 PolarHBondContact O-N 3.02Å; M792-E796 HydrophobicContact CG-CG 4.45Å; M792-E796 VanDerWaalsContact O-CB 3.25Å; M792-E796 WeakPolarHBondContact O-CB 3.31Å; M792-E796 VanDerWaalsContact O-CG 3.25Å; M792-E796 WeakPolarHBondContact O-CG 3.3Å; M792-E796 PolarHBondContact O-N 2.83Å |
| 793 | I | 49.8 | Very low | 46.7 | Very low | 39 Ų | 39 | 67.3 Ų | 67.3 | 20% | 0.2 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65 | -42.8 | 175.6 | -73.9 | 171.8 | 0 | 0 | 0 | 110.9 | R789 L790 F795 E796 D797 Q1391 | R789-I793 WeakPolarHBondContact O-CB 3.15Å; R789-I793 WeakPolarHBondContact O-CD1 3.35Å; R789-I793 WeakPolarHBondContact O-CG1 3.28Å; R789-I793 PolarHBondContact O-N 3.34Å; L790-I793 PolarHBondContact O-N 2.74Å; I793-F795 PolarHBondContact O-N 3.34Å; I793-E796 PolarHBondContact O-N 3.45Å; I793-D797 WeakPolarHBondContact O-CB 3.19Å; I793-D797 VanDerWaalsContact O-CG 3.3Å; I793-D797 PolarHBondContact O-N 2.88Å; I793-Q1391 HydrophobicContact CD1-CG 3.82Å |
| 794 | R | 47.7 | Very low | 47 | Very low | 108 Ų | 108 | 62.4 Ų | 62.4 | 41% | 0.408 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.1 | -37.4 | 175.3 | -74.7 | 169.5 | 161.5 | -149.3 | -8 | 113 | L790 D791 S798 | L790-R794 WeakPolarHBondContact O-CG 3.38Å; L790-R794 PolarHBondContact O-N 3.01Å; D791-R794 PolarHBondContact O-N 3.47Å; D791-R794 WeakPolarHBondContact OD1-CD 3.34Å; R794-S798 VanDerWaalsContact O-CB 3.25Å; R794-S798 WeakPolarHBondContact O-CB 3.37Å; R794-S798 PolarHBondContact O-N 3.39Å; R794-S798 PolarHBondContact O-OG 3.22Å |
| 795 | F | 53.3 | Low | 47.1 | Very low | 17 Ų | 17 | 70 Ų | 70 | 8% | 0.075 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -68.7 | -46.1 | 174.7 | 177.6 | -113 | 0 | 0 | 0 | 110.7 | Y118 A144 I146 I181 D791 M792 I793 S798 L799 | Y118-F795 HydrophobicContact CD2-CE2 4.33Å; Y118-F795 HydrophobicContact CD2-CZ 4.25Å; Y118-F795 HydrophobicContact CE1-CZ 4.36Å; Y118-F795 AromaticContact CE2-CE2 3.53Å; Y118-F795 HydrophobicContact CE2-CE2 3.53Å; Y118-F795 AromaticContact CE2-CZ 3.64Å; Y118-F795 HydrophobicContact CE2-CZ 3.64Å; Y118-F795 AromaticContact CZ-CE2 3.9Å; Y118-F795 AromaticContact CZ-CZ 3.7Å; A144-F795 HydrophobicContact CB-CE1 4.32Å; A144-F795 HydrophobicContact CB-CZ 4.39Å; I146-F795 HydrophobicContact CD1-CD1 4.26Å; I146-F795 HydrophobicContact CD1-CE1 3.89Å; I181-F795 HydrophobicContact CD1-CD1 4.43Å; I181-F795 HydrophobicContact CD1-CE1 3.8Å; I181-F795 HydrophobicContact CD1-CZ 4.26Å; I181-F795 HydrophobicContact CG1-CD1 4.36Å; I181-F795 HydrophobicContact CG1-CE1 3.92Å; D791-F795 WeakPolarHBondContact O-CB 3.41Å; D791-F795 PolarHBondContact O-N 3.43Å; M792-F795 PolarHBondContact O-N 3.02Å; I793-F795 PolarHBondContact O-N 3.34Å; F795-S798 PolarHBondContact O-N 2.92Å; F795-L799 HydrophobicContact CE1-CD2 4.06Å; F795-L799 HydrophobicContact CZ-CD2 4.3Å; F795-L799 WeakPolarHBondContact O-CB 3.29Å; F795-L799 PolarHBondContact O-N 2.8Å |
| 796 | E | 53.4 | Low | 46.2 | Very low | 36 Ų | 36 | 72.3 Ų | 72.3 | 17% | 0.168 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | 173.3 | -77.7 | -128.2 | 87.2 | 0 | 0 | 111.8 | R123 H124 I146 M792 I793 S798 L799 Q800 | R123-E796 IonicContact CZ-OE1 3.76Å; R123-E796 IonicContact NE-OE1 3.96Å; R123-E796 PolarHBondContact NE-OE1 2.83Å; R123-E796 IonicContact NH2-OE1 3.27Å; R123-E796 PolarHBondContact NH2-OE1 2.96Å; H124-E796 IonicContact CE1-OE1 3.46Å; H124-E796 PolarHBondContact CE1-OE1 3.27Å; I146-E796 HydrophobicContact CD1-CG 4.35Å; I146-E796 HydrophobicContact CG2-CG 4.22Å; M792-E796 HydrophobicContact CG-CG 4.45Å; M792-E796 VanDerWaalsContact O-CB 3.25Å; M792-E796 WeakPolarHBondContact O-CB 3.31Å; M792-E796 VanDerWaalsContact O-CG 3.25Å; M792-E796 WeakPolarHBondContact O-CG 3.3Å; M792-E796 PolarHBondContact O-N 2.83Å; I793-E796 PolarHBondContact O-N 3.45Å; E796-S798 PolarHBondContact O-N 2.88Å; E796-L799 PolarHBondContact O-N 3.14Å; E796-Q800 WeakPolarHBondContact O-CA 3.4Å; E796-Q800 WeakPolarHBondContact O-CB 3.26Å; E796-Q800 PolarHBondContact O-N 3.44Å |
| 797 | D | 49.9 | Very low | 45.6 | Very low | 89 Ų | 89 | 75.4 Ų | 75.4 | 48% | 0.476 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 176.7 | -75.4 | -27.3 | 0 | 0 | 0 | 111.1 | I793 Q800 N801 | I793-D797 WeakPolarHBondContact O-CB 3.19Å; I793-D797 VanDerWaalsContact O-CG 3.3Å; I793-D797 PolarHBondContact O-N 2.88Å; D797-Q800 PolarHBondContact O-N 3.35Å; D797-N801 VanDerWaalsContact O-CB 3.26Å; D797-N801 WeakPolarHBondContact O-CB 3.45Å; D797-N801 VanDerWaalsContact O-CG 3.23Å; D797-N801 PolarHBondContact O-N 3.2Å; D797-N801 PolarHBondContact O-ND2 3.18Å |
| 798 | S | 48.2 | Very low | 44.9 | Very low | 34 Ų | 34 | 76.6 Ų | 76.6 | 24% | 0.238 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.4 | -41.7 | 176.1 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | R794 F795 E796 N801 L802 | R794-S798 VanDerWaalsContact O-CB 3.25Å; R794-S798 WeakPolarHBondContact O-CB 3.37Å; R794-S798 PolarHBondContact O-N 3.39Å; R794-S798 PolarHBondContact O-OG 3.22Å; F795-S798 PolarHBondContact O-N 2.92Å; E796-S798 PolarHBondContact O-N 2.88Å; S798-N801 PolarHBondContact O-N 2.83Å; S798-L802 WeakPolarHBondContact O-CB 3.28Å; S798-L802 PolarHBondContact O-N 3.16Å |
| 799 | L | 51.8 | Low | 44 | Very low | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.8 | -42.1 | 176.7 | -179.5 | 59.3 | 0 | 0 | 0 | 111.4 | I115 I121 I146 F795 E796 L802 L803 | I115-L799 HydrophobicContact CD1-CD1 3.43Å; I115-L799 VanDerWaalsContact CD1-CD1 3.43Å; I115-L799 HydrophobicContact CG1-CD1 3.8Å; I121-L799 HydrophobicContact CD1-CD1 4.03Å; I121-L799 HydrophobicContact CG2-CD2 4.4Å; I146-L799 HydrophobicContact CD1-CD2 3.31Å; F795-L799 HydrophobicContact CE1-CD2 4.06Å; F795-L799 HydrophobicContact CZ-CD2 4.3Å; F795-L799 WeakPolarHBondContact O-CB 3.29Å; F795-L799 PolarHBondContact O-N 2.8Å; E796-L799 PolarHBondContact O-N 3.14Å; L799-L802 PolarHBondContact O-N 2.89Å; L799-L803 HydrophobicContact CD1-CD1 3.48Å; L799-L803 VanDerWaalsContact CD1-CD1 3.48Å; L799-L803 HydrophobicContact CD1-CG 4.1Å; L799-L803 HydrophobicContact CG-CD1 4Å; L799-L803 VanDerWaalsContact O-CB 3.32Å; L799-L803 WeakPolarHBondContact O-CB 3.2Å; L799-L803 VanDerWaalsContact O-CG 3.3Å; L799-L803 WeakPolarHBondContact O-CG 3.49Å; L799-L803 PolarHBondContact O-N 3.09Å |
| 800 | Q | 56.2 | Low | 43.1 | Very low | 72 Ų | 72 | 76.9 Ų | 76.9 | 34% | 0.336 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 175 | -164.7 | 83.1 | -23.9 | 0 | 0 | 110.8 | R123 E796 D797 L802 L803 L804 | R123-Q800 VanDerWaalsContact NH2-OE1 3.11Å; E796-Q800 WeakPolarHBondContact O-CA 3.4Å; E796-Q800 WeakPolarHBondContact O-CB 3.26Å; E796-Q800 PolarHBondContact O-N 3.44Å; D797-Q800 PolarHBondContact O-N 3.35Å; Q800-L802 VanDerWaalsContact C-N 3.33Å; Q800-L802 PolarHBondContact O-N 2.98Å; Q800-L803 PolarHBondContact O-N 3.5Å; Q800-L804 HydrophobicContact CG-CD1 3.8Å; Q800-L804 HydrophobicContact CG-CG 4.31Å; Q800-L804 WeakPolarHBondContact O-CA 3.35Å; Q800-L804 WeakPolarHBondContact O-CB 3.22Å; Q800-L804 VanDerWaalsContact O-CG 3.3Å; Q800-L804 WeakPolarHBondContact O-CG 3.17Å; Q800-L804 PolarHBondContact O-N 3.4Å |
| 801 | N | 46.8 | Very low | 42.5 | Very low | 117 Ų | 117 | 79.9 Ų | 79.9 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -71.8 | -22.4 | 178.3 | -74 | -48.6 | 0 | 0 | 0 | 113.6 | D797 S798 | D797-N801 VanDerWaalsContact O-CB 3.26Å; D797-N801 WeakPolarHBondContact O-CB 3.45Å; D797-N801 VanDerWaalsContact O-CG 3.23Å; D797-N801 PolarHBondContact O-N 3.2Å; D797-N801 PolarHBondContact O-ND2 3.18Å; S798-N801 PolarHBondContact O-N 2.83Å |
| 802 | L | 48.4 | Very low | 41.6 | Very low | 41 Ų | 41 | 80.2 Ų | 80.2 | 22% | 0.215 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -83.9 | -37.6 | 171.3 | -101.1 | 162.9 | 0 | 0 | 0 | 113 | N110 H112 I115 S798 L799 Q800 | N110-L802 HydrophobicContact CB-CD2 4.36Å; H112-L802 HydrophobicContact CB-CD1 3.58Å; H112-L802 HydrophobicContact CB-CG 4.01Å; H112-L802 VanDerWaalsContact O-CD1 3.27Å; H112-L802 WeakPolarHBondContact O-CD1 3.07Å; I115-L802 HydrophobicContact CD1-CB 3.46Å; I115-L802 VanDerWaalsContact CD1-CB 3.46Å; I115-L802 HydrophobicContact CD1-CD1 3.54Å; I115-L802 HydrophobicContact CD1-CG 4.06Å; I115-L802 HydrophobicContact CG1-CD1 3.83Å; S798-L802 WeakPolarHBondContact O-CB 3.28Å; S798-L802 PolarHBondContact O-N 3.16Å; L799-L802 PolarHBondContact O-N 2.89Å; Q800-L802 VanDerWaalsContact C-N 3.33Å; Q800-L802 PolarHBondContact O-N 2.98Å |
| 803 | L | 48.7 | Very low | 40.6 | Very low | 19 Ų | 19 | 84.1 Ų | 84.1 | 10% | 0.099 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -89.5 | -13.5 | -178.2 | -62.5 | 178.4 | 0 | 0 | 0 | 113.7 | T51 R53 I78 E80 I115 L799 Q800 | T51-L803 HydrophobicContact CG2-CD2 4.33Å; R53-L803 PolarHBondContact NH1-O 2.98Å; I78-L803 HydrophobicContact CD1-CD2 3.98Å; I78-L803 HydrophobicContact CG2-CD1 3.95Å; I78-L803 HydrophobicContact CG2-CD2 4.48Å; E80-L803 HydrophobicContact CG-CD1 4.23Å; E80-L803 WeakPolarHBondContact OE1-CD1 3.28Å; I115-L803 HydrophobicContact CD1-CG 4.41Å; L799-L803 HydrophobicContact CD1-CD1 3.48Å; L799-L803 VanDerWaalsContact CD1-CD1 3.48Å; L799-L803 HydrophobicContact CD1-CG 4.1Å; L799-L803 HydrophobicContact CG-CD1 4Å; L799-L803 VanDerWaalsContact O-CB 3.32Å; L799-L803 WeakPolarHBondContact O-CB 3.2Å; L799-L803 VanDerWaalsContact O-CG 3.3Å; L799-L803 WeakPolarHBondContact O-CG 3.49Å; L799-L803 PolarHBondContact O-N 3.09Å; Q800-L803 PolarHBondContact O-N 3.5Å |
| 804 | L | 39.8 | Very low | 39.7 | Very low | 72 Ų | 72 | 84 Ų | 84 | 38% | 0.377 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -104.8 | 99.6 | 163.8 | -57.3 | -177 | 0 | 0 | 0 | 109.7 | Q800 P806 | Q800-L804 HydrophobicContact CG-CD1 3.8Å; Q800-L804 HydrophobicContact CG-CG 4.31Å; Q800-L804 WeakPolarHBondContact O-CA 3.35Å; Q800-L804 WeakPolarHBondContact O-CB 3.22Å; Q800-L804 VanDerWaalsContact O-CG 3.3Å; Q800-L804 WeakPolarHBondContact O-CG 3.17Å; Q800-L804 PolarHBondContact O-N 3.4Å; L804-P806 VanDerWaalsContact O-N 3.15Å |
| 805 | F | 37 | Very low | 38.7 | Very low | 190 Ų | 190 | 84 Ų | 84 | 83% | 0.833 | 42% | 0.42 | S | S | * | . | trans | -47.9 | 123.7 | 157.3 | -86.1 | -88.4 | 0 | 0 | 0 | 108.6 | R807 | F805-R807 PolarHBondContact O-N 2.92Š| ||
| 806 | P | 25.7 | Very low | 37.6 | Very low | 118 Ų | 118 | 85.8 Ų | 85.8 | 77% | 0.766 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -66.5 | 102 | -153.3 | 20.5 | -33.5 | 0 | 0 | 0 | 113.5 | L804 | L804-P806 VanDerWaalsContact O-N 3.15Š|
| 807 | R | 27.5 | Very low | 36.4 | Very low | 228 Ų | 228 | 88.7 Ų | 88.7 | 86% | 0.86 | 46% | 0.456 | S | S | * | . | trans | -145.6 | 75.4 | 171.6 | -74 | -165.9 | 172.1 | 170.1 | -1 | 112.5 | F805 | F805-R807 PolarHBondContact O-N 2.92Š| ||
| 808 | I | 27.3 | Very low | 35.3 | Very low | 89 Ų | 89 | 93.4 Ų | 93.4 | 46% | 0.456 | 47% | 0.467 | S | S | . | . | 55.7 | 128.5 | 129.8 | -63.4 | 165.8 | 0 | 0 | 0 | 118.9 | P1164 W1165 | I808-P1164 HydrophobicContact CG2-CG 4.01Å; I808-W1165 VanDerWaalsContact CD1-NE1 3.3Å | |||
| 809 | K | 26.5 | Very low | 34.3 | Very low | 88 Ų | 88 | 99.8 Ų | 99.8 | 38% | 0.383 | 49% | 0.486 | S | S | . | . | trans | 79.9 | 147.2 | 165.2 | -74.9 | 165.8 | 178.1 | -178.7 | 0 | 118.1 | P1164 D1167 E1171 | K809-P1164 HydrophobicContact CD-CB 4.13Å; K809-P1164 HydrophobicContact CD-CG 4.19Å; K809-D1167 IonicContact NZ-OD2 2.64Å; K809-D1167 PolarHBondContact NZ-OD2 2.79Å; K809-E1171 WeakPolarHBondContact CE-OE1 3.31Å; K809-E1171 IonicContact NZ-OE1 3.9Å; K809-E1171 PolarHBondContact NZ-OE1 3Å; K809-E1171 IonicContact NZ-OE2 2.82Å; K809-E1171 PolarHBondContact NZ-OE2 3.04Å | ||
| 810 | S | 26.3 | Very low | 33 | Very low | 104 Ų | 104 | 106.1 Ų | 106.1 | 73% | 0.727 | 52% | 0.519 | S | S | * | . | trans | -148.9 | -156.8 | -161.3 | 59.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 811 | P | 33 | Very low | 31.6 | Very low | 107 Ų | 107 | 113.1 Ų | 113.1 | 70% | 0.695 | 54% | 0.542 | S | S | * | . | -126.4 | -164.9 | -61.8 | 26 | -3.4 | 0 | 0 | 0 | 113.6 | |||||
| 812 | V | 28.8 | Very low | 30.6 | Very low | 67 Ų | 67 | 114.8 Ų | 114.8 | 41% | 0.406 | 55% | 0.549 | S | S | . | . | trans | 79.3 | 121 | 153.9 | -164.9 | 0 | 0 | 0 | 0 | 121.4 | I814 Y1386 | V812-I814 HydrophobicContact CG1-CD1 4.25Å; V812-Y1386 HydrophobicContact CG1-CE2 4.47Å | ||
| 813 | R | 27.6 | Very low | 29.5 | Very low | 131 Ų | 131 | 119 Ų | 119 | 49% | 0.494 | 57% | 0.572 | S | S | . | * | -173.8 | 153.6 | 115.4 | -99.7 | -179.4 | 176.8 | 171.6 | -1.2 | 111.5 | L1379 N1381 | R813-L1379 PolarHBondContact NH2-O 3.41Å; R813-N1381 PolarHBondContact NH2-OD1 2.88Å; R813-N1381 VanDerWaalsContact NH2-OD1 3.08Å | |||
| 814 | I | 30.4 | Very low | 28.3 | Very low | 36 Ų | 36 | 124.3 Ų | 124.3 | 19% | 0.185 | 60% | 0.601 | C | S | . | * | trans | -136.1 | 131.2 | -168.1 | -50.9 | 96.8 | 0 | 0 | 0 | 112.3 | V812 R1387 I1389 | V812-I814 HydrophobicContact CG1-CD1 4.25Å; I814-R1387 HydrophobicContact CB-CB 4.38Å; I814-R1387 HydrophobicContact CD1-CB 4Å; I814-R1387 HydrophobicContact CD1-CG 4.49Å; I814-R1387 WeakPolarHBondContact CD1-O 3.38Å; I814-I1389 HydrophobicContact CD1-CD1 3.64Å; I814-I1389 HydrophobicContact CD1-CG1 3.83Å; I814-I1389 HydrophobicContact CG1-CD1 3.92Å; I814-I1389 HydrophobicContact CG1-CG1 4.42Å | ||
| 815 | R | 26.7 | Very low | 27.7 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 41% | 0.408 | 63% | 0.625 | S | S | . | * | trans | -150.1 | 151.5 | 156.5 | -66.3 | -153.9 | 160.2 | -139.4 | -18.4 | 113.4 | Q1383 Y1385 | R815-Q1383 VanDerWaalsContact CZ-CA 3.46Å; R815-Q1383 VanDerWaalsContact CZ-CB 3.48Å; R815-Q1383 VanDerWaalsContact NH2-CA 3.27Å; R815-Q1383 VanDerWaalsContact NH2-CB 3.3Å; R815-Y1385 VanDerWaalsContact CA-OH 3.32Å; R815-Y1385 WeakPolarHBondContact CA-OH 3.48Å; R815-Y1385 HydrophobicContact CG-CE1 4.45Å; R815-Y1385 HydrophobicContact CG-CE2 4.4Å; R815-Y1385 WeakPolarHBondContact CG-OH 3.28Å; R815-Y1385 VanDerWaalsContact CZ-CE1 3.4Å; R815-Y1385 PolarHBondContact NH2-O 3.49Å; R815-Y1385 VanDerWaalsContact NH2-O 3.1Å | ||
| 816 | G | 30.3 | Very low | 27.2 | Very low | 56 Ų | 56 | 128 Ų | 128 | 58% | 0.577 | 62% | 0.62 | S | S | * | * | cis | 169.9 | 133.4 | -11.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | Y1385 | G816-Y1385 WeakPolarHBondContact CA-OH 3.33Š| ||
| 817 | K | 28.5 | Very low | 27.2 | Very low | 97 Ų | 97 | 124.3 Ų | 124.3 | 42% | 0.422 | 60% | 0.597 | S | S | . | * | trans | 56.2 | 140 | 143.4 | -100.7 | 179.1 | -179.1 | 177.2 | 0 | 124.6 | Y1385 Y1408 | K817-Y1385 HydrophobicContact CD-CD1 4.31Å; K817-Y1385 HydrophobicContact CD-CE1 4.03Å; K817-Y1408 HydrophobicContact CD-CD1 4.35Å; K817-Y1408 HydrophobicContact CD-CE1 4.1Å; K817-Y1408 HydrophobicContact CG-CE1 3.97Å | ||
| 818 | R | 26.9 | Very low | 27.1 | Very low | 187 Ų | 187 | 119.3 Ų | 119.3 | 71% | 0.706 | 58% | 0.582 | S | S | * | * | trans | 84.1 | 153.9 | 151.5 | -70.1 | 174.5 | 170.4 | 153.7 | -3.1 | 119.9 | ||||
| 819 | R | 26.1 | Very low | 27 | Very low | 168 Ų | 168 | 118 Ų | 118 | 63% | 0.634 | 57% | 0.573 | S | S | * | * | cis | -179.9 | 168.9 | -37.2 | -144.4 | -177.3 | -178.2 | -159.3 | 3.9 | 110.2 | E1475 | R819-E1475 IonicContact CZ-OE1 2.67Å; R819-E1475 VanDerWaalsContact CZ-OE1 3.28Å; R819-E1475 IonicContact NH1-OE1 3.83Å; R819-E1475 PolarHBondContact NH1-OE1 3.14Å; R819-E1475 IonicContact NH2-OE1 2.68Å; R819-E1475 PolarHBondContact NH2-OE1 2.66Å | ||
| 820 | I | 25.5 | Very low | 26.9 | Very low | 134 Ų | 134 | 120.7 Ų | 120.7 | 69% | 0.687 | 59% | 0.586 | S | S | * | * | trans | 100.1 | 102.4 | 150.1 | -68.2 | 152 | 0 | 0 | 0 | 120.1 | ||||
| 821 | R | 25.3 | Very low | 26.9 | Very low | 218 Ų | 218 | 119.4 Ų | 119.4 | 82% | 0.823 | 58% | 0.577 | S | S | * | * | trans | 75 | 146.7 | 131.4 | -69.7 | -171.8 | -177.6 | 170.3 | 1.7 | 124.9 | ||||
| 822 | I | 26.9 | Very low | 26.4 | Very low | 153 Ų | 153 | 123.4 Ų | 123.4 | 79% | 0.785 | 58% | 0.583 | S | S | * | * | trans | -108.1 | 156.7 | 170.1 | -58.4 | 147.7 | 0 | 0 | 0 | 105.7 | ||||
| 823 | D | 24.6 | Very low | 26.3 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 70% | 0.695 | 61% | 0.609 | S | S | * | * | trans | -156.4 | 149.3 | 146.5 | -86.8 | -43.6 | 0 | 0 | 0 | 110.4 | ||||
| 824 | D | 24.5 | Very low | 26.2 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 70% | 0.695 | 62% | 0.617 | S | S | * | * | trans | 56.2 | 150.7 | 167.9 | -56.3 | -36.5 | 0 | 0 | 0 | 120.3 | ||||
| 825 | F | 26.7 | Very low | 26.2 | Very low | 201 Ų | 201 | 134.6 Ų | 134.6 | 88% | 0.882 | 65% | 0.65 | S | S | * | * | cis | -137.5 | 150 | 20 | -109.1 | -74.6 | 0 | 0 | 0 | 113.6 | ||||
| 826 | N | 25.6 | Very low | 26.2 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | trans | -121.2 | 103 | -165.3 | -165.1 | -10.3 | 0 | 0 | 0 | 115.1 | K724 | K724-N826 PolarHBondContact NZ-O 2.77Š| ||
| 827 | S | 25.5 | Very low | 26 | Very low | 40 Ų | 40 | 142.3 Ų | 142.3 | 28% | 0.28 | 67% | 0.672 | S | S | . | * | trans | -172 | 167.2 | 154.8 | 26.5 | 0 | 0 | 0 | 0 | 110.2 | K724 | K724-S827 PolarHBondContact NZ-OG 3.45Å; K724-S827 WeakPolarHBondContact O-CB 3.49Å | ||
| 828 | F | 25.4 | Very low | 26 | Very low | 122 Ų | 122 | 149 Ų | 149 | 54% | 0.535 | 70% | 0.696 | S | S | . | * | cis | -163.8 | 135.8 | 46.6 | -52.8 | -95.4 | 0 | 0 | 0 | 117.9 | F722 S723 K724 | F722-F828 CarbonylContact O-C 3.48Å; S723-F828 WeakPolarHBondContact OG-CB 3.49Å; S723-F828 WeakPolarHBondContact OG-CD1 3.46Å; S723-F828 VanDerWaalsContact OG-CG 3.24Å; S723-F828 WeakPolarHBondContact OG-CG 3.27Å; K724-F828 HydrophobicContact CB-CD1 4.48Å; K724-F828 CarbonylContact O-C 3.56Å; K724-F828 WeakPolarHBondContact O-CA 3.39Å | ||
| 829 | H | 25.1 | Very low | 25.9 | Very low | 61 Ų | 61 | 147.2 Ų | 147.2 | 28% | 0.282 | 70% | 0.701 | S | S | . | * | trans | 76.5 | -153.1 | 145.9 | -73.1 | -24.7 | 0 | 0 | 0 | 119.1 | S723 K724 T725 V726 | S723-H829 VanDerWaalsContact C-CB 3.46Å; K724-H829 VanDerWaalsContact C-CB 3.49Å; K724-H829 VanDerWaalsContact CA-CG 3.47Å; K724-H829 PolarHBondContact O-N 2.86Å; K724-H829 VanDerWaalsContact O-N 3.16Å; T725-H829 WeakPolarHBondContact CA-CD2 3.23Å; T725-H829 WeakPolarHBondContact CA-CE1 3.15Å; T725-H829 WeakPolarHBondContact CA-ND1 3.41Å; T725-H829 WeakPolarHBondContact CA-NE2 3.16Å; T725-H829 WeakPolarHBondContact CB-CD2 3.4Å; T725-H829 WeakPolarHBondContact CB-CE1 3.44Å; T725-H829 WeakPolarHBondContact CB-ND1 3.01Å; T725-H829 WeakPolarHBondContact CB-NE2 3.29Å; T725-H829 WeakPolarHBondContact CG2-CD2 3.17Å; T725-H829 WeakPolarHBondContact CG2-CE1 3.4Å; T725-H829 WeakPolarHBondContact CG2-NE2 3.46Å; T725-H829 PolarHBondContact N-CD2 3.36Å; T725-H829 PolarHBondContact N-ND1 3.26Å; T725-H829 WeakPolarHBondContact OG1-CB 3.22Å; T725-H829 PolarHBondContact OG1-CD2 3.02Å; T725-H829 PolarHBondContact OG1-ND1 3.47Å; T725-H829 PolarHBondContact OG1-NE2 2.94Å; V726-H829 PolarHBondContact N-CE1 3.08Å; V726-H829 PolarHBondContact N-NE2 2.76Å; V726-H829 VanDerWaalsContact N-NE2 3.19Å | ||
| 830 | F | 25.2 | Very low | 26 | Very low | 145 Ų | 145 | 147.5 Ų | 147.5 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | -116 | 155.4 | -65.1 | -123.8 | -84.3 | 0 | 0 | 0 | 112.4 | T725 | T725-F830 WeakPolarHBondContact OG1-CA 3.21Å; T725-F830 VanDerWaalsContact OG1-CD1 3.3Å; T725-F830 WeakPolarHBondContact OG1-CD1 3.4Å; T725-F830 WeakPolarHBondContact OG1-CG 3.39Å | |||
| 831 | S | 26.2 | Very low | 26.2 | Very low | 78 Ų | 78 | 151 Ų | 151 | 55% | 0.545 | 72% | 0.715 | S | S | . | * | trans | -40.3 | 144.5 | -169.5 | 51.6 | 0 | 0 | 0 | 0 | 119.1 | T725 | T725-S831 PolarHBondContact OG1-N 3.35Š| ||
| 832 | K | 23.5 | Very low | 26.7 | Very low | 190 Ų | 190 | 146.2 Ų | 146.2 | 83% | 0.826 | 71% | 0.712 | S | S | * | * | trans | -31.1 | 143.2 | 157.5 | -64.7 | -179.6 | 167.9 | -165.1 | 0 | 114.9 | ||||
| 833 | M | 25.1 | Very low | 27.9 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 96% | 0.956 | 70% | 0.698 | S | S | * | * | trans | -124.8 | 149 | 143.2 | -86.6 | -177.4 | 147.1 | 0 | 0 | 109 | ||||
| 834 | E | 25.6 | Very low | 29.9 | Very low | 140 Ų | 140 | 145.3 Ų | 145.3 | 65% | 0.654 | 70% | 0.701 | S | S | * | * | trans | -96.2 | 142.8 | 177 | -63.4 | 171.4 | 153.5 | 0 | 0 | 109.7 | R836 | E834-R836 PolarHBondContact O-N 2.92Š| ||
| 835 | P | 31 | Very low | 32.1 | Very low | 136 Ų | 136 | 141.5 Ų | 141.5 | 88% | 0.883 | 68% | 0.676 | S | S | * | * | trans | -73.4 | 124.9 | 167.5 | 30.9 | -31.5 | 0 | 0 | 0 | 109.4 | ||||
| 836 | R | 26.3 | Very low | 34.6 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 71% | 0.713 | 66% | 0.657 | S | S | * | * | trans | -116.9 | 151 | 173.7 | -78.5 | -162.9 | -174.7 | -166.9 | 2.3 | 111.6 | E834 | E834-R836 PolarHBondContact O-N 2.92Š| ||
| 837 | D | 26.4 | Very low | 37.4 | Very low | 136 Ų | 136 | 130.4 Ų | 130.4 | 73% | 0.727 | 63% | 0.63 | S | S | * | * | trans | 53.3 | 79.7 | 149.2 | -49.6 | -24.2 | 0 | 0 | 0 | 117.3 | ||||
| 838 | Y | 28.3 | Very low | 40.3 | Very low | 237 Ų | 237 | 132.1 Ų | 132.1 | 93% | 0.929 | 63% | 0.633 | S | S | * | * | trans | -136 | 30.1 | 158 | -99.2 | -69.3 | 0 | 0 | 0 | 114 | ||||
| 839 | D | 26 | Very low | 43.2 | Very low | 150 Ų | 150 | 129.2 Ų | 129.2 | 80% | 0.802 | 62% | 0.623 | S | S | * | * | trans | -80.1 | 157 | 158.5 | -87.3 | -51.2 | 0 | 0 | 0 | 110.9 | ||||
| 840 | H | 28.3 | Very low | 46.1 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 81% | 0.81 | 63% | 0.633 | S | S | * | * | trans | 78.3 | 79.4 | -176.6 | -55.6 | 73.2 | 0 | 0 | 0 | 117 | ||||
| 841 | Y | 29.5 | Very low | 49 | Very low | 206 Ų | 206 | 126.6 Ų | 126.6 | 81% | 0.808 | 61% | 0.608 | S | S | * | * | -159.4 | 127 | 126.3 | -95.2 | -67.4 | 0 | 0 | 0 | 109.6 | L843 | Y841-L843 VanDerWaalsContact C-N 3.32Å; Y841-L843 PolarHBondContact O-N 2.94Å | |||
| 842 | P | 35.8 | Very low | 51.8 | Low | 118 Ų | 118 | 125.7 Ų | 125.7 | 77% | 0.766 | 60% | 0.602 | S | S | * | * | trans | -78.2 | 77.4 | -176.2 | 31.9 | -35.5 | 0 | 0 | 0 | 111.9 | K844 | P842-K844 PolarHBondContact O-N 2.8Š| ||
| 843 | L | 51.9 | Low | 54.3 | Low | 95 Ų | 95 | 118.2 Ų | 118.2 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | trans | -79.2 | 96.3 | 179.9 | -73.2 | 167.2 | 0 | 0 | 0 | 111.5 | R676 Y841 | R676-L843 VanDerWaalsContact NH1-CB 3.32Å; R676-L843 PolarHBondContact NH1-O 2.97Å; Y841-L843 VanDerWaalsContact C-N 3.32Å; Y841-L843 PolarHBondContact O-N 2.94Å | ||
| 844 | K | 65.3 | Low | 56.2 | Low | 170 Ų | 170 | 115.1 Ų | 115.1 | 74% | 0.739 | 56% | 0.562 | S | S | * | * | trans | -49.9 | 148.9 | 173.9 | -166.6 | -175.7 | 174.9 | -175.1 | 0 | 112.2 | P842 | P842-K844 PolarHBondContact O-N 2.8Š| ||
| 845 | W | 72.6 | Confident | 57.4 | Low | 49 Ų | 49 | 110.5 Ų | 110.5 | 19% | 0.186 | 55% | 0.546 | C | S | . | . | trans | -82.3 | 146.5 | 170.4 | -63.8 | 100.1 | 0 | 0 | 0 | 111.4 | W674 R676 L883 V885 | W674-W845 HydrophobicContact CB-CD2 3.83Å; W674-W845 HydrophobicContact CB-CE3 3.72Å; W674-W845 HydrophobicContact CB-CG 4.35Å; W674-W845 HydrophobicContact CB-CZ3 4.08Å; W674-W845 HydrophobicContact CG-CD2 4.48Å; R676-W845 HydrophobicContact CB-CE3 3.72Å; R676-W845 HydrophobicContact CB-CZ3 4.14Å; R676-W845 HydrophobicContact CG-CE3 3.81Å; R676-W845 HydrophobicContact CG-CZ3 3.73Å; W845-L883 HydrophobicContact CH2-CD2 4.05Å; W845-L883 HydrophobicContact CZ3-CD2 4.29Å; W845-V885 HydrophobicContact CH2-CB 4.11Å; W845-V885 HydrophobicContact CH2-CG2 3.54Å; W845-V885 HydrophobicContact CZ3-CB 4.48Å; W845-V885 HydrophobicContact CZ3-CG2 4.04Å | ||
| 846 | D | 79.1 | Confident | 58.1 | Low | 91 Ų | 91 | 112 Ų | 112 | 49% | 0.487 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -81.3 | -31.2 | 176.3 | -65.4 | -21.1 | 0 | 0 | 0 | 111.3 | Y675 R676 R677 | Y675-D846 HydrophobicContact CD2-CB 4.08Å; Y675-D846 HydrophobicContact CE2-CB 3.99Å; Y675-D846 PolarHBondContact O-N 3.26Å; R676-D846 WeakPolarHBondContact CA-OD2 3.22Å; R677-D846 WeakPolarHBondContact CB-OD2 3.21Å; R677-D846 PolarHBondContact N-OD2 3.19Å |
| 847 | G | 82.9 | Confident | 58.7 | Low | 16 Ų | 16 | 108.1 Ų | 108.1 | 17% | 0.165 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 166.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | W674 Y675 | W674-G847 WeakPolarHBondContact CA-O 3.31Å; Y675-G847 PolarHBondContact N-O 2.65Å; Y675-G847 PolarHBondContact O-N 3.4Å |
| 848 | H | 86.6 | Confident | 59.4 | Low | 76 Ų | 76 | 106.2 Ų | 106.2 | 35% | 0.352 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 132.8 | 179 | 175.5 | -149.1 | 0 | 0 | 0 | 109.3 | H672 L673 W674 | H672-H848 AromaticContact CG-NE2 3.59Å; H672-H848 AromaticContact ND1-CE1 3.37Å; H672-H848 PolarHBondContact ND1-CE1 3.29Å; H672-H848 AromaticContact ND1-NE2 3.04Å; H672-H848 PolarHBondContact ND1-NE2 3.26Å; L673-H848 CarbonylContact O-C 3.59Å; L673-H848 WeakPolarHBondContact O-CA 3.04Å; W674-H848 AromaticContact CD1-CD2 3.51Å; W674-H848 AromaticContact CD1-CG 3.6Å; W674-H848 AromaticContact CE2-CD2 3.59Å; W674-H848 AromaticContact CE2-NE2 3.63Å; W674-H848 AromaticContact CZ2-NE2 3.76Å; W674-H848 AromaticContact NE1-CD2 3.19Å; W674-H848 PolarHBondContact NE1-CD2 3.43Å; W674-H848 AromaticContact NE1-CE1 3.82Å; W674-H848 AromaticContact NE1-CG 3.37Å; W674-H848 AromaticContact NE1-ND1 3.76Å; W674-H848 AromaticContact NE1-NE2 3.5Å; W674-H848 PolarHBondContact NE1-NE2 3.37Å |
| 849 | L | 86.2 | Confident | 59.6 | Low | 61 Ų | 61 | 103.4 Ų | 103.4 | 32% | 0.319 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.2 | 175.4 | -64.3 | 171 | 0 | 0 | 0 | 109.6 | H672 L673 I851 V871 I873 | H672-L849 WeakPolarHBondContact CA-O 3.49Å; L673-L849 HydrophobicContact CB-CB 4.42Å; L673-L849 HydrophobicContact CD2-CD1 4.4Å; L673-L849 PolarHBondContact N-O 2.83Å; L673-L849 PolarHBondContact O-N 3.35Å; L849-I851 HydrophobicContact CB-CD1 4.45Å; L849-V871 HydrophobicContact CD1-CG2 4.46Å; L849-I873 HydrophobicContact CD1-CD1 4.12Å; L849-I873 HydrophobicContact CD1-CG1 4.06Å |
| 850 | R | 86.7 | Confident | 59.8 | Low | 131 Ų | 131 | 102.9 Ų | 102.9 | 49% | 0.494 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.6 | 165.8 | -55 | -168.5 | -155.6 | -172.2 | 8.7 | 108.9 | E670 Y671 H672 | E670-R850 IonicContact OE1-NH1 3.56Å; E670-R850 VanDerWaalsContact OE2-CD 3.31Å; E670-R850 WeakPolarHBondContact OE2-CD 3.03Å; Y671-R850 CarbonylContact O-C 3.56Å; Y671-R850 WeakPolarHBondContact O-CA 3.43Å; H672-R850 PolarHBondContact CE1-NE 3.18Å |
| 851 | I | 86.5 | Confident | 60 | Low | 21 Ų | 21 | 103 Ų | 103 | 11% | 0.108 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 121.2 | -171.1 | -63.1 | 142.4 | 0 | 0 | 0 | 107.6 | W658 E670 Y671 L673 L849 V871 | W658-I851 HydrophobicContact CH2-CD1 3.84Å; W658-I851 HydrophobicContact CZ2-CD1 4.14Å; W658-I851 HydrophobicContact CZ2-CG2 4.38Å; E670-I851 CarbonylContact C-O 3.57Å; E670-I851 VanDerWaalsContact CA-O 3.25Å; E670-I851 WeakPolarHBondContact CA-O 3.17Å; Y671-I851 PolarHBondContact N-O 3.11Å; Y671-I851 PolarHBondContact O-N 3.28Å; L673-I851 HydrophobicContact CB-CD1 4.06Å; L673-I851 HydrophobicContact CD2-CD1 4.26Å; L849-I851 HydrophobicContact CB-CD1 4.45Å; I851-V871 HydrophobicContact CD1-CG1 4.41Å |
| 852 | S | 84.7 | Confident | 60.1 | Low | 59 Ų | 59 | 101.9 Ų | 101.9 | 41% | 0.413 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 138.1 | -179.7 | -176.6 | 0 | 0 | 0 | 0 | 111.1 | N854 S855 | S852-N854 PolarHBondContact O-N 2.84Å; S852-N854 VanDerWaalsContact O-N 3.11Å; S852-N854 PolarHBondContact OG-N 2.83Å; S852-S855 PolarHBondContact O-N 3.29Å; S852-S855 PolarHBondContact O-OG 3.01Å |
| 853 | A | 75.4 | Confident | 59.7 | Low | 32 Ų | 32 | 101.6 Ų | 101.6 | 26% | 0.264 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -14.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | I668 V669 Y671 | I668-A853 HydrophobicContact CB-CB 4.37Å; I668-A853 HydrophobicContact CG2-CB 4.15Å; I668-A853 WeakPolarHBondContact O-CB 3.4Å; V669-A853 PolarHBondContact O-N 2.73Å; Y671-A853 HydrophobicContact CE2-CB 4.07Å |
| 854 | N | 65.7 | Low | 58.8 | Low | 129 Ų | 129 | 103.6 Ų | 103.6 | 69% | 0.69 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 3.5 | -179.7 | -67.3 | -11 | 0 | 0 | 0 | 114.1 | S852 N856 | S852-N854 PolarHBondContact O-N 2.84Å; S852-N854 VanDerWaalsContact O-N 3.11Å; S852-N854 PolarHBondContact OG-N 2.83Å; N854-N856 PolarHBondContact O-N 2.99Å |
| 855 | S | 50.9 | Low | 57.7 | Low | 44 Ų | 44 | 101.4 Ų | 101.4 | 31% | 0.308 | 54% | 0.539 | S | S | . | . | trans | -89.8 | 99.7 | -174.5 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | S852 T857 | S852-S855 PolarHBondContact O-N 3.29Å; S852-S855 PolarHBondContact O-OG 3.01Å; S855-T857 PolarHBondContact O-N 2.81Å | ||
| 856 | N | 45.7 | Very low | 56.5 | Low | 168 Ų | 168 | 106.7 Ų | 106.7 | 90% | 0.898 | 57% | 0.571 | S | S | * | * | trans | -72.8 | 48.2 | 171.3 | -71.4 | -12 | 0 | 0 | 0 | 112.7 | N854 | N854-N856 PolarHBondContact O-N 2.99Š| ||
| 857 | T | 39.2 | Very low | 55.4 | Low | 106 Ų | 106 | 108.2 Ų | 108.2 | 65% | 0.65 | 58% | 0.579 | S | S | * | * | trans | -108.6 | 76.2 | -170.2 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | S855 | S855-T857 PolarHBondContact O-N 2.81Š| ||
| 858 | V | 39.3 | Very low | 54.3 | Low | 97 Ų | 97 | 111.3 Ų | 111.3 | 59% | 0.588 | 59% | 0.591 | S | S | * | * | trans | -126.8 | 102.8 | 158.1 | -179.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 859 | E | 34.2 | Very low | 53.7 | Low | 178 Ų | 178 | 109.3 Ų | 109.3 | 83% | 0.832 | 58% | 0.582 | S | S | * | * | trans | -78.5 | 127.3 | 174.3 | -67.1 | -169.9 | 144.5 | 0 | 0 | 110.2 | ||||
| 860 | N | 29.1 | Very low | 53.4 | Low | 138 Ų | 138 | 107.1 Ų | 107.1 | 74% | 0.738 | 58% | 0.575 | S | S | * | * | S | Bend | trans | 59 | 82.3 | 162.9 | -52.2 | -44.5 | 0 | 0 | 0 | 117.3 | ||
| 861 | H | 32 | Very low | 53.5 | Low | 178 Ų | 178 | 102.5 Ų | 102.5 | 82% | 0.824 | 56% | 0.561 | S | S | * | * | S | Bend | -174.5 | 143 | 105.3 | -99.9 | -78.6 | 0 | 0 | 0 | 112 | |||
| 862 | E | 33.4 | Very low | 53.6 | Low | 182 Ų | 182 | 103.8 Ų | 103.8 | 85% | 0.85 | 57% | 0.572 | S | S | * | * | trans | 17.6 | 107.5 | 171.7 | -59 | -168.8 | 162.6 | 0 | 0 | 119.5 | ||||
| 863 | S | 27 | Very low | 53.8 | Low | 113 Ų | 113 | 101.2 Ų | 101.2 | 79% | 0.79 | 55% | 0.553 | S | S | * | * | trans | -73.2 | 125 | -176.1 | 56.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 864 | I | 32.5 | Very low | 54.5 | Low | 136 Ų | 136 | 104 Ų | 104 | 70% | 0.697 | 56% | 0.564 | S | S | * | * | trans | -130.9 | 114.9 | 160.6 | -56.8 | -179.9 | 0 | 0 | 0 | 108.7 | ||||
| 865 | N | 41.7 | Very low | 55.4 | Low | 124 Ų | 124 | 101 Ų | 101 | 66% | 0.663 | 56% | 0.564 | S | S | * | * | trans | 66.3 | 121.4 | -178.5 | -59.8 | -30.5 | 0 | 0 | 0 | 117.3 | N867 | N865-N867 PolarHBondContact O-N 3.19Š| ||
| 866 | N | 48.1 | Very low | 57.2 | Low | 160 Ų | 160 | 99.4 Ų | 99.4 | 86% | 0.856 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 10.8 | -178.3 | -64.2 | 4.6 | 0 | 0 | 0 | 115.8 | ||
| 867 | N | 55.6 | Low | 59.2 | Low | 124 Ų | 124 | 95.4 Ų | 95.4 | 66% | 0.663 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | -4.7 | -170.4 | -71.4 | 21.7 | 0 | 0 | 0 | 114.2 | N865 | N865-N867 PolarHBondContact O-N 3.19Š|
| 868 | I | 59.4 | Low | 61.5 | Low | 80 Ų | 80 | 91.8 Ų | 91.8 | 41% | 0.41 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 126.3 | -177 | -54.7 | 175 | 0 | 0 | 0 | 109.1 | Y657 | Y657-I868 HydrophobicContact CD2-CG2 4.19Å; Y657-I868 HydrophobicContact CG-CG2 4.47Å |
| 869 | I | 74.2 | Confident | 63.7 | Low | 34 Ų | 34 | 88.7 Ų | 88.7 | 17% | 0.174 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 144.2 | 175 | -49.5 | 175.2 | 0 | 0 | 0 | 107.8 | Y657 W658 Y671 | Y657-I869 CarbonylContact C-O 3.59Å; Y657-I869 WeakPolarHBondContact CA-O 2.98Å; Y657-I869 WeakPolarHBondContact CB-O 3.31Å; W658-I869 HydrophobicContact CD2-CB 4.41Å; W658-I869 HydrophobicContact CH2-CG2 4.13Å; W658-I869 HydrophobicContact CZ2-CB 3.98Å; W658-I869 HydrophobicContact CZ2-CG2 3.41Å; W658-I869 VanDerWaalsContact CZ2-CG2 3.41Å; W658-I869 PolarHBondContact N-O 2.04Å; W658-I869 PolarHBondContact O-N 2.63Å; Y671-I869 HydrophobicContact CD2-CD1 4.4Å; Y671-I869 HydrophobicContact CE2-CD1 3.5Å |
| 870 | G | 80.9 | Confident | 66.1 | Low | 15 Ų | 15 | 80.6 Ų | 80.6 | 16% | 0.155 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.4 | 168.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L656 | L656-G870 CarbonylContact O-C 3.47Å; L656-G870 WeakPolarHBondContact O-CA 3.28Å |
| 871 | V | 88.5 | Confident | 68.8 | Low | 35 Ų | 35 | 76.4 Ų | 76.4 | 21% | 0.212 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 146.1 | -178.1 | 69.7 | 0 | 0 | 0 | 0 | 111.4 | Q655 L656 W658 L673 L849 I851 | Q655-V871 PolarHBondContact NE2-O 2.73Å; L656-V871 HydrophobicContact CB-CG1 4.35Å; L656-V871 PolarHBondContact N-O 2.69Å; L656-V871 PolarHBondContact O-N 3.09Å; W658-V871 HydrophobicContact CH2-CB 4.43Å; W658-V871 HydrophobicContact CH2-CG1 4.05Å; W658-V871 HydrophobicContact CZ3-CG1 4.04Å; L673-V871 HydrophobicContact CD2-CG1 3.6Å; L849-V871 HydrophobicContact CD1-CG2 4.46Å; I851-V871 HydrophobicContact CD1-CG1 4.41Å |
| 872 | S | 87.7 | Confident | 71.5 | Confident | 47 Ų | 47 | 68.3 Ų | 68.3 | 33% | 0.329 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 138 | 169 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | M654 D874 | M654-S872 CarbonylContact O-C 3.55Å; M654-S872 WeakPolarHBondContact O-CA 3.34Å; S872-D874 PolarHBondContact OG-OD1 3.29Å |
| 873 | I | 89.6 | Confident | 74.1 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 3% | 0.031 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 118.8 | 171.2 | -62.7 | -179.5 | 0 | 0 | 0 | 108.7 | K653 M654 L656 L673 Y675 L849 L876 F884 | K653-I873 WeakPolarHBondContact CA-O 3.06Å; M654-I873 PolarHBondContact N-O 2.9Å; M654-I873 PolarHBondContact O-N 3.04Å; L656-I873 HydrophobicContact CD1-CB 4.37Å; L656-I873 HydrophobicContact CD1-CD1 3.69Å; L656-I873 HydrophobicContact CD1-CG1 3.86Å; L673-I873 HydrophobicContact CD2-CD1 4.02Å; Y675-I873 HydrophobicContact CD1-CD1 3.78Å; Y675-I873 HydrophobicContact CE1-CD1 4.1Å; Y675-I873 HydrophobicContact CE1-CG2 4.14Å; Y675-I873 HydrophobicContact CE2-CG2 4.34Å; Y675-I873 HydrophobicContact CG-CD1 4.36Å; L849-I873 HydrophobicContact CD1-CD1 4.12Å; L849-I873 HydrophobicContact CD1-CG1 4.06Å; I873-L876 HydrophobicContact CG2-CD1 4.38Å; I873-L876 HydrophobicContact CG2-CD2 3.92Å; I873-L876 HydrophobicContact CG2-CG 4.23Å; I873-F884 HydrophobicContact CD1-CD1 4.1Å; I873-F884 HydrophobicContact CD1-CE1 3.89Å |
| 874 | D | 88.9 | Confident | 77.2 | Confident | 89 Ų | 89 | 55 Ų | 55 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 162.2 | -179.2 | -77.8 | 21.5 | 0 | 0 | 0 | 111.7 | N652 K653 S872 | N652-D874 CarbonylContact O-C 3.45Å; K653-D874 WeakPolarHBondContact CE-OD2 3.38Å; K653-D874 IonicContact NZ-OD1 2.68Å; K653-D874 PolarHBondContact NZ-OD1 3.23Å; K653-D874 IonicContact NZ-OD2 2.64Å; K653-D874 PolarHBondContact NZ-OD2 3.14Å; S872-D874 PolarHBondContact OG-OD1 3.29Å |
| 875 | G | 86 | Confident | 79.8 | Confident | 68 Ų | 68 | 48.8 Ų | 48.8 | 70% | 0.701 | 28% | 0.276 | S | S | * | . | trans | 83.6 | 16.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N652 | N652-G875 PolarHBondContact O-N 3.35Š| ||
| 876 | L | 89.1 | Confident | 82.1 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -74.1 | 153.8 | 178.1 | -57.4 | 177.7 | 0 | 0 | 0 | 111.4 | N652 M654 Y675 I873 Y882 F884 T930 | N652-L876 WeakPolarHBondContact CA-O 3.05Å; N652-L876 VanDerWaalsContact CB-O 3.29Å; N652-L876 WeakPolarHBondContact CB-O 3.39Å; N652-L876 PolarHBondContact O-N 2.72Å; N652-L876 VanDerWaalsContact O-N 3.08Å; M654-L876 HydrophobicContact CB-CD1 3.52Å; M654-L876 HydrophobicContact CE-CD1 4.32Å; Y675-L876 HydrophobicContact CD2-CD2 4.36Å; Y675-L876 HydrophobicContact CE2-CD2 4.21Å; I873-L876 HydrophobicContact CG2-CD1 4.38Å; I873-L876 HydrophobicContact CG2-CD2 3.92Å; I873-L876 HydrophobicContact CG2-CG 4.23Å; L876-Y882 HydrophobicContact CB-CE2 3.82Å; L876-Y882 HydrophobicContact CD1-CD2 4.44Å; L876-Y882 HydrophobicContact CD2-CD1 4.13Å; L876-Y882 HydrophobicContact CD2-CD2 4.37Å; L876-Y882 HydrophobicContact CD2-CE1 3.76Å; L876-Y882 HydrophobicContact CD2-CE2 4.01Å; L876-Y882 HydrophobicContact CD2-CG 4.43Å; L876-Y882 HydrophobicContact CG-CE2 4.33Å; L876-F884 HydrophobicContact CD1-CZ 4.3Å; L876-T930 HydrophobicContact CB-CG2 3.79Å; L876-T930 HydrophobicContact CD1-CG2 3.91Å |
| 877 | H | 86.8 | Confident | 84 | Confident | 84 Ų | 84 | 35.4 Ų | 35.4 | 39% | 0.389 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -70.3 | 148.4 | 171.6 | -74 | -76.8 | 0 | 0 | 0 | 111.3 | R677 T880 Y882 T930 | R677-H877 PolarHBondContact NH1-CD2 3.06Å; R677-H877 PolarHBondContact NH1-NE2 2.94Å; H877-T880 HydrophobicContact CB-CG2 4.09Å; H877-T880 WeakPolarHBondContact CB-OG1 3.46Å; H877-T880 WeakPolarHBondContact O-CB 2.97Å; H877-Y882 PolarHBondContact N-OH 2.86Å; H877-T930 WeakPolarHBondContact O-CB 3.33Å; H877-T930 PolarHBondContact O-OG1 3.47Å |
| 878 | H | 86.8 | Confident | 85.6 | Confident | 29 Ų | 29 | 29.5 Ų | 29.5 | 13% | 0.134 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 150.3 | 174.1 | 62.7 | 95.3 | 0 | 0 | 0 | 112.5 | S651 T880 Q1016 P1017 N1018 | S651-H878 WeakPolarHBondContact O-CA 3.29Å; S651-H878 WeakPolarHBondContact O-CB 2.94Å; S651-H878 PolarHBondContact O-N 3.01Å; H878-T880 PolarHBondContact O-N 2.7Å; H878-T880 PolarHBondContact O-OG1 2.84Å; H878-Q1016 PolarHBondContact CE1-O 3.12Å; H878-Q1016 VanDerWaalsContact CE1-O 3.23Å; H878-P1017 PolarHBondContact CE1-O 3.46Å; H878-N1018 PolarHBondContact ND1-OD1 3.45Å |
| 879 | Y | 86.5 | Confident | 87 | Confident | 33 Ų | 33 | 25.8 Ų | 25.8 | 13% | 0.129 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 40.9 | 37.3 | -177 | -150.1 | -101.3 | 0 | 0 | 0 | 114.6 | I700 R929 T930 D931 A932 N1018 L1100 A1101 | I700-Y879 WeakPolarHBondContact CG2-OH 3.4Å; I700-Y879 PolarHBondContact O-OH 3.38Å; I700-Y879 VanDerWaalsContact O-OH 3.1Å; Y879-R929 VanDerWaalsContact CE1-NH1 3.27Å; Y879-R929 PolarHBondContact OH-NH1 3.01Å; Y879-T930 WeakPolarHBondContact CA-O 3.28Å; Y879-T930 PolarHBondContact N-OG1 3.47Å; Y879-D931 PolarHBondContact N-O 3.29Å; Y879-A932 HydrophobicContact CD2-CB 3.82Å; Y879-N1018 HydrophobicContact CD1-CB 4.27Å; Y879-N1018 HydrophobicContact CG-CB 3.98Å; Y879-L1100 HydrophobicContact CD1-CB 4.13Å; Y879-L1100 HydrophobicContact CE1-CB 3.72Å; Y879-L1100 WeakPolarHBondContact CE1-O 3.44Å; Y879-L1100 PolarHBondContact OH-O 3.41Å; Y879-A1101 HydrophobicContact CD1-CB 4.12Å; Y879-A1101 HydrophobicContact CD2-CB 3.83Å; Y879-A1101 HydrophobicContact CE1-CB 4.08Å; Y879-A1101 HydrophobicContact CE2-CB 3.75Å; Y879-A1101 HydrophobicContact CG-CB 4Å |
| 880 | T | 84.9 | Confident | 87.7 | Confident | 7 Ų | 7 | 24.3 Ų | 24.3 | 4% | 0.043 | 15% | 0.147 | C | C | . | . | trans | -118.7 | 135 | -170.6 | -69.5 | 0 | 0 | 0 | 0 | 109.6 | R677 H877 H878 Y882 R929 T930 | R677-T880 HydrophobicContact CG-CG2 3.61Å; R677-T880 VanDerWaalsContact NE-CG2 3.29Å; R677-T880 PolarHBondContact NH2-OG1 2.82Å; H877-T880 HydrophobicContact CB-CG2 4.09Å; H877-T880 WeakPolarHBondContact CB-OG1 3.46Å; H877-T880 WeakPolarHBondContact O-CB 2.97Å; H878-T880 PolarHBondContact O-N 2.7Å; H878-T880 PolarHBondContact O-OG1 2.84Å; T880-Y882 HydrophobicContact CG2-CD2 4.08Å; T880-Y882 HydrophobicContact CG2-CE2 3.52Å; T880-Y882 WeakPolarHBondContact O-CD2 3.21Å; T880-R929 WeakPolarHBondContact O-CA 3.48Å; T880-R929 WeakPolarHBondContact O-CG 3.41Å; T880-T930 PolarHBondContact N-OG1 3.44Å; T880-T930 PolarHBondContact O-N 3.02Å; T880-T930 VanDerWaalsContact O-N 3.12Å; T880-T930 PolarHBondContact O-OG1 2.96Å | ||
| 881 | E | 85.4 | Confident | 87.9 | Confident | 51 Ų | 51 | 26.8 Ų | 26.8 | 24% | 0.238 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 132.8 | -176.6 | -160.6 | 169.1 | 140.9 | 0 | 0 | 110.3 | L678 R929 | L678-E881 HydrophobicContact CB-CB 4.41Å; L678-E881 HydrophobicContact CD1-CG 4.37Å; L678-E881 PolarHBondContact N-O 2.69Å; E881-R929 HydrophobicContact CB-CB 4.49Å; E881-R929 HydrophobicContact CB-CG 4.35Å; E881-R929 HydrophobicContact CG-CB 4.45Å; E881-R929 IonicContact OE2-CZ 3.3Å; E881-R929 IonicContact OE2-NE 2.97Å; E881-R929 PolarHBondContact OE2-NE 2.85Å; E881-R929 IonicContact OE2-NH2 2.69Å; E881-R929 PolarHBondContact OE2-NH2 2.85Å |
| 882 | Y | 89.7 | Confident | 87.7 | Confident | 7 Ų | 7 | 27 Ų | 27 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 137.7 | -177.4 | -77.7 | -90.5 | 0 | 0 | 0 | 110.5 | Y675 R676 R677 L876 H877 T880 F884 Q927 Q928 T930 | Y675-Y882 HydrophobicContact CD2-CD1 4.42Å; R676-Y882 WeakPolarHBondContact O-CA 3.48Å; R677-Y882 HydrophobicContact CB-CD1 4.4Å; R677-Y882 HydrophobicContact CB-CE1 4Å; L876-Y882 HydrophobicContact CB-CE2 3.82Å; L876-Y882 HydrophobicContact CD1-CD2 4.44Å; L876-Y882 HydrophobicContact CD2-CD1 4.13Å; L876-Y882 HydrophobicContact CD2-CD2 4.37Å; L876-Y882 HydrophobicContact CD2-CE1 3.76Å; L876-Y882 HydrophobicContact CD2-CE2 4.01Å; L876-Y882 HydrophobicContact CD2-CG 4.43Å; L876-Y882 HydrophobicContact CG-CE2 4.33Å; H877-Y882 PolarHBondContact N-OH 2.86Å; T880-Y882 HydrophobicContact CG2-CD2 4.08Å; T880-Y882 HydrophobicContact CG2-CE2 3.52Å; T880-Y882 WeakPolarHBondContact O-CD2 3.21Å; Y882-F884 VanDerWaalsContact CB-CE2 3.4Å; Y882-F884 HydrophobicContact CG-CZ 4.22Å; Y882-Q927 WeakPolarHBondContact O-CA 3.39Å; Y882-Q928 PolarHBondContact N-O 2.69Å; Y882-Q928 PolarHBondContact O-N 3.42Å; Y882-T930 HydrophobicContact CE2-CG2 4.49Å |
| 883 | L | 88 | Confident | 87.4 | Confident | 17 Ų | 17 | 25 Ų | 25 | 9% | 0.089 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 116.4 | 169.3 | -179 | 75.5 | 0 | 0 | 0 | 108.3 | Y675 R676 L678 W845 V885 I925 Q927 | Y675-L883 VanDerWaalsContact CA-O 3.3Å; Y675-L883 WeakPolarHBondContact CA-O 3.22Å; R676-L883 HydrophobicContact CG-CB 4.12Å; R676-L883 HydrophobicContact CG-CD2 4.37Å; R676-L883 PolarHBondContact N-O 2.73Å; R676-L883 PolarHBondContact O-N 3.24Å; L678-L883 HydrophobicContact CD1-CB 4.18Å; L678-L883 HydrophobicContact CD2-CB 3.94Å; L678-L883 HydrophobicContact CG-CB 4.02Å; W845-L883 HydrophobicContact CH2-CD2 4.05Å; W845-L883 HydrophobicContact CZ3-CD2 4.29Å; L883-V885 HydrophobicContact CD2-CG2 4.41Å; L883-V885 HydrophobicContact CG-CG2 4.19Å; L883-I925 HydrophobicContact CD1-CG2 3.49Å; L883-I925 VanDerWaalsContact CD1-CG2 3.49Å; L883-I925 HydrophobicContact CG-CG2 4.4Å; L883-Q927 HydrophobicContact CD1-CG 3.59Å |
| 884 | F | 90.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 139.7 | 174.4 | -56.7 | -90.4 | 0 | 0 | 0 | 109.8 | F644 A646 M654 L656 L673 W674 Y675 I873 L876 Y882 I925 I926 Q928 | F644-F884 HydrophobicContact CE1-CB 4.4Å; F644-F884 HydrophobicContact CZ-CB 3.99Å; A646-F884 HydrophobicContact CB-CD2 4.44Å; M654-F884 HydrophobicContact CB-CZ 4.17Å; M654-F884 HydrophobicContact CE-CE2 4.13Å; M654-F884 HydrophobicContact CE-CZ 4.17Å; M654-F884 HydrophobicContact CG-CE1 4.43Å; M654-F884 HydrophobicContact CG-CE2 4.03Å; M654-F884 HydrophobicContact CG-CZ 3.72Å; M654-F884 HydrophobicContact SD-CE2 4.4Å; L656-F884 HydrophobicContact CD1-CD1 4.34Å; L656-F884 HydrophobicContact CD1-CE1 4.27Å; L656-F884 HydrophobicContact CD2-CB 3.81Å; L656-F884 HydrophobicContact CD2-CD1 3.65Å; L656-F884 HydrophobicContact CD2-CD2 4.33Å; L656-F884 HydrophobicContact CD2-CE1 4.31Å; L656-F884 HydrophobicContact CD2-CG 3.68Å; L673-F884 HydrophobicContact CD1-CB 4.44Å; W674-F884 WeakPolarHBondContact O-CA 3.35Å; Y675-F884 VanDerWaalsContact CB-CD1 3.46Å; Y675-F884 HydrophobicContact CG-CD1 4.39Å; Y675-F884 HydrophobicContact CG-CE1 4.28Å; I873-F884 HydrophobicContact CD1-CD1 4.1Å; I873-F884 HydrophobicContact CD1-CE1 3.89Å; L876-F884 HydrophobicContact CD1-CZ 4.3Å; Y882-F884 VanDerWaalsContact CB-CE2 3.4Å; Y882-F884 HydrophobicContact CG-CZ 4.22Å; F884-I925 WeakPolarHBondContact O-CA 3.43Å; F884-I926 HydrophobicContact CB-CG2 3.94Å; F884-I926 HydrophobicContact CD2-CG2 4.38Å; F884-I926 PolarHBondContact N-O 2.87Å; F884-I926 PolarHBondContact O-N 2.96Å; F884-Q928 HydrophobicContact CE2-CB 4.46Å |
| 885 | V | 88.1 | Confident | 86.2 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.024 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 126.5 | -174.6 | 176.7 | 0 | 0 | 0 | 0 | 110.2 | L673 W674 W845 L883 R923 S924 I925 | L673-V885 CarbonylContact C-O 3.57Å; L673-V885 WeakPolarHBondContact CA-O 3.32Å; W674-V885 HydrophobicContact CE3-CG1 4.24Å; W674-V885 PolarHBondContact N-O 3.17Å; W674-V885 PolarHBondContact O-N 3.3Å; W845-V885 HydrophobicContact CH2-CB 4.11Å; W845-V885 HydrophobicContact CH2-CG2 3.54Å; W845-V885 HydrophobicContact CZ3-CB 4.48Å; W845-V885 HydrophobicContact CZ3-CG2 4.04Å; L883-V885 HydrophobicContact CD2-CG2 4.41Å; L883-V885 HydrophobicContact CG-CG2 4.19Å; V885-R923 HydrophobicContact CG1-CB 3.76Å; V885-R923 HydrophobicContact CG1-CG 3.78Å; V885-S924 CarbonylContact C-O 3.53Å; V885-S924 WeakPolarHBondContact CA-O 3.42Å; V885-I925 HydrophobicContact CG1-CG1 4.36Å; V885-I925 HydrophobicContact CG2-CD1 4.48Å; V885-I925 HydrophobicContact CG2-CG1 4.06Å; V885-I925 HydrophobicContact CG2-CG2 4.17Å |
| 886 | I | 89.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 141 | -178.7 | -166.2 | 172.7 | 0 | 0 | 0 | 112.8 | P641 F644 W658 Y671 H672 L673 S924 | P641-I886 HydrophobicContact CB-CG2 4.29Å; P641-I886 HydrophobicContact CG-CG1 4.38Å; P641-I886 HydrophobicContact CG-CG2 4.11Å; F644-I886 HydrophobicContact CB-CG2 4.44Å; F644-I886 HydrophobicContact CD1-CG2 3.59Å; F644-I886 HydrophobicContact CD2-CG2 3.88Å; F644-I886 HydrophobicContact CE1-CB 4.22Å; F644-I886 HydrophobicContact CE1-CG2 3.62Å; F644-I886 HydrophobicContact CE2-CB 4.3Å; F644-I886 HydrophobicContact CE2-CG2 3.91Å; F644-I886 HydrophobicContact CG-CG2 3.72Å; F644-I886 HydrophobicContact CZ-CB 4.03Å; F644-I886 HydrophobicContact CZ-CG2 3.78Å; W658-I886 HydrophobicContact CD2-CD1 3.4Å; W658-I886 HydrophobicContact CE3-CD1 3.75Å; W658-I886 HydrophobicContact CG-CD1 3.88Å; W658-I886 HydrophobicContact CH2-CD1 4.15Å; W658-I886 HydrophobicContact CZ2-CD1 3.76Å; W658-I886 HydrophobicContact CZ3-CD1 4.13Å; Y671-I886 HydrophobicContact CD1-CD1 4.21Å; H672-I886 CarbonylContact O-C 3.48Å; H672-I886 VanDerWaalsContact O-CA 3.3Å; H672-I886 WeakPolarHBondContact O-CA 3.28Å; L673-I886 HydrophobicContact CD1-CB 4.18Å; I886-S924 PolarHBondContact N-O 3.31Å; I886-S924 PolarHBondContact O-N 2.68Å |
| 887 | S | 88.4 | Confident | 84.8 | Confident | 4 Ų | 4 | 29 Ų | 29 | 3% | 0.028 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146.7 | 167.8 | -77.1 | 0 | 0 | 0 | 0 | 110.7 | Y671 H672 S921 | Y671-S887 CarbonylContact C-O 3.52Å; Y671-S887 VanDerWaalsContact CA-O 3.29Å; Y671-S887 WeakPolarHBondContact CA-O 3.49Å; H672-S887 PolarHBondContact N-O 2.79Å; H672-S887 PolarHBondContact O-N 3.43Å; S887-S921 VanDerWaalsContact CA-OG 3.25Å; S887-S921 WeakPolarHBondContact CA-OG 3.34Å; S887-S921 WeakPolarHBondContact CB-OG 3.4Å; S887-S921 PolarHBondContact OG-O 2.89Å |
| 888 | A | 89.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 144.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P638 P641 P661 I668 Y671 C920 S921 | P638-A888 WeakPolarHBondContact CG-O 3.33Å; P641-A888 HydrophobicContact CG-CB 4.18Å; P661-A888 HydrophobicContact CG-CB 3.74Å; I668-A888 HydrophobicContact CD1-CB 4.23Å; I668-A888 HydrophobicContact CG2-CB 4.05Å; Y671-A888 HydrophobicContact CD1-CB 3.73Å; Y671-A888 HydrophobicContact CE1-CB 3.6Å; A888-C920 CarbonylContact O-C 3.53Å; A888-C920 WeakPolarHBondContact O-CA 3.34Å; A888-S921 PolarHBondContact N-OG 3.27Å; A888-S921 PolarHBondContact O-N 3.13Å |
| 889 | C | 88.9 | Confident | 84.3 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 146.1 | -174.8 | -61.7 | 0 | 0 | 0 | 0 | 113.4 | V669 E670 W919 C920 | V669-C889 PolarHBondContact N-O 2.93Å; E670-C889 HydrophobicContact CG-CB 4.17Å; E670-C889 PolarHBondContact N-O 3.32Å; E670-C889 PolarHBondContact O-N 2.99Å; C889-W919 CarbonylContact C-O 3.59Å; C889-W919 VanDerWaalsContact CA-O 3.31Å; C889-W919 WeakPolarHBondContact CA-O 3.23Å; C889-C920 HydrophobicContact CB-CB 4.15Å; C889-C920 WeakPolarHBondContact CB-SG 3.36Å; C889-C920 WeakPolarHBondContact SG-CB 3.24Å; C889-C920 CovalentContact SG-SG 2.04Å; C889-C920 PolarHBondContact SG-SG 2.79Å |
| 890 | H | 88.9 | Confident | 83.8 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.014 | 19% | 0.192 | C | C | . | . | trans | -87 | -179.2 | 165.9 | -58.3 | 158.8 | 0 | 0 | 0 | 111.5 | D636 P664 G666 Q667 H893 W919 | D636-H890 PolarHBondContact O-CE1 3.33Å; P664-H890 PolarHBondContact O-CE1 2.87Å; P664-H890 PolarHBondContact O-NE2 3.02Å; G666-H890 WeakPolarHBondContact CA-NE2 3.29Å; Q667-H890 PolarHBondContact O-CD2 2.64Å; H890-H893 AromaticContact ND1-NE2 3.57Å; H890-W919 HydrophobicContact CB-CB 4.35Å; H890-W919 PolarHBondContact N-O 2.65Å | ||
| 891 | S | 84.3 | Confident | 82.7 | Confident | 68 Ų | 68 | 41.2 Ų | 41.2 | 48% | 0.476 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -58 | 145.2 | 159 | -64.9 | 0 | 0 | 0 | 0 | 110.8 | H893 | S891-H893 PolarHBondContact O-CD2 3.27Å; S891-H893 PolarHBondContact O-N 3.47Å |
| 892 | P | 84 | Confident | 81.3 | Confident | 38 Ų | 38 | 45.2 Ų | 45.2 | 25% | 0.247 | 25% | 0.251 | C | S | . | . | trans | -57.5 | 119.5 | -179.2 | -27.2 | 35.6 | 0 | 0 | 0 | 113.8 | L900 L903 W919 | P892-L900 HydrophobicContact CB-CB 4.21Å; P892-L900 HydrophobicContact CB-CD1 4.38Å; P892-L900 PolarHBondContact O-N 3.19Å; P892-L903 HydrophobicContact CG-CD2 4.21Å; P892-W919 HydrophobicContact CB-CD2 4.16Å; P892-W919 HydrophobicContact CB-CE3 4.47Å; P892-W919 HydrophobicContact CB-CH2 4.44Å; P892-W919 HydrophobicContact CB-CZ2 4.12Å; P892-W919 HydrophobicContact CG-CZ2 4.34Å | ||
| 893 | H | 81.7 | Confident | 79.5 | Confident | 7 Ų | 7 | 51 Ų | 51 | 3% | 0.032 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -134.2 | 159.9 | 175.2 | 66.2 | 71.2 | 0 | 0 | 0 | 110.9 | H890 S891 E898 W919 | H890-H893 AromaticContact ND1-NE2 3.57Å; S891-H893 PolarHBondContact O-CD2 3.27Å; S891-H893 PolarHBondContact O-N 3.47Å; H893-E898 CarbonylContact C-O 3.41Å; H893-E898 WeakPolarHBondContact CA-O 3.49Å; H893-E898 WeakPolarHBondContact CB-O 3.27Å; H893-W919 WeakPolarHBondContact NE2-CA 3.34Å; H893-W919 WeakPolarHBondContact NE2-CB 3.47Å; H893-W919 VanDerWaalsContact O-CE3 3.23Å |
| 894 | D | 80.2 | Confident | 77.6 | Confident | 42 Ų | 42 | 55.9 Ų | 55.9 | 23% | 0.225 | 31% | 0.313 | C | S | . | . | trans | -79.4 | -175 | 177.7 | 88.2 | -29.6 | 0 | 0 | 0 | 112.7 | N896 G897 E898 L900 | D894-N896 VanDerWaalsContact CG-N 3.33Å; D894-N896 PolarHBondContact O-N 2.95Å; D894-N896 VanDerWaalsContact OD1-C 3.31Å; D894-N896 VanDerWaalsContact OD1-CA 3.27Å; D894-N896 WeakPolarHBondContact OD1-CA 3.39Å; D894-N896 WeakPolarHBondContact OD1-CB 3.27Å; D894-N896 PolarHBondContact OD1-N 3.13Å; D894-N896 PolarHBondContact OD2-ND2 2.7Å; D894-G897 PolarHBondContact O-N 3.02Å; D894-G897 PolarHBondContact OD1-N 3.07Å; D894-E898 PolarHBondContact N-O 3.03Å; D894-E898 PolarHBondContact OD1-N 3.36Å; D894-L900 HydrophobicContact CB-CD2 4.08Å | ||
| 895 | I | 73.6 | Confident | 75.4 | Confident | 132 Ų | 132 | 66.3 Ų | 66.3 | 68% | 0.677 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -6.5 | 176.3 | 63.9 | 170.1 | 0 | 0 | 0 | 114.3 | Q520 P918 | Q520-I895 PolarHBondContact NE2-O 2.93Å; I895-P918 HydrophobicContact CG2-CB 4.1Å; I895-P918 HydrophobicContact CG2-CG 4.23Å |
| 896 | N | 72.7 | Confident | 73.3 | Confident | 70 Ų | 70 | 70.8 Ų | 70.8 | 37% | 0.374 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -0.3 | 176.7 | -55.2 | -73.4 | 0 | 0 | 0 | 112.2 | Q520 K634 D894 | Q520-N896 PolarHBondContact OE1-O 3.46Å; K634-N896 WeakPolarHBondContact CD-O 3.45Å; D894-N896 VanDerWaalsContact CG-N 3.33Å; D894-N896 PolarHBondContact O-N 2.95Å; D894-N896 VanDerWaalsContact OD1-C 3.31Å; D894-N896 VanDerWaalsContact OD1-CA 3.27Å; D894-N896 WeakPolarHBondContact OD1-CA 3.39Å; D894-N896 WeakPolarHBondContact OD1-CB 3.27Å; D894-N896 PolarHBondContact OD1-N 3.13Å; D894-N896 PolarHBondContact OD2-ND2 2.7Å |
| 897 | G | 73.5 | Confident | 71.1 | Confident | 12 Ų | 12 | 76.2 Ų | 76.2 | 12% | 0.124 | 40% | 0.402 | C | S | . | . | S | Bend | trans | 76.7 | 20 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | D894 | D894-G897 PolarHBondContact O-N 3.02Å; D894-G897 PolarHBondContact OD1-N 3.07Å |
| 898 | E | 80.6 | Confident | 69 | Low | 94 Ų | 94 | 83.1 Ų | 83.1 | 44% | 0.439 | 43% | 0.434 | S | S | . | . | trans | -85.6 | 137.9 | 173 | -65.3 | -70.3 | -177.3 | 0 | 0 | 111.1 | K634 H893 D894 | K634-E898 WeakPolarHBondContact CE-OE1 3.37Å; K634-E898 VanDerWaalsContact NZ-CD 3.34Å; K634-E898 IonicContact NZ-OE1 2.99Å; K634-E898 PolarHBondContact NZ-OE1 3.39Å; H893-E898 CarbonylContact C-O 3.41Å; H893-E898 WeakPolarHBondContact CA-O 3.49Å; H893-E898 WeakPolarHBondContact CB-O 3.27Å; D894-E898 PolarHBondContact N-O 3.03Å; D894-E898 PolarHBondContact OD1-N 3.36Å | ||
| 899 | P | 80.7 | Confident | 66.8 | Low | 87 Ų | 87 | 89.6 Ų | 89.6 | 57% | 0.565 | 47% | 0.469 | S | S | * | . | B | Isolated β-bridge | trans | -69.3 | 133 | -176.6 | 28 | -34.6 | 0 | 0 | 0 | 113 | N901 | P899-N901 PolarHBondContact O-N 3.13Å |
| 900 | L | 77.5 | Confident | 64.6 | Low | 76 Ų | 76 | 94.4 Ų | 94.4 | 40% | 0.398 | 49% | 0.494 | S | S | . | . | trans | -87.8 | 89.2 | -177.7 | -69.2 | 172.4 | 0 | 0 | 0 | 111.7 | P892 D894 N902 W919 | P892-L900 HydrophobicContact CB-CB 4.21Å; P892-L900 HydrophobicContact CB-CD1 4.38Å; P892-L900 PolarHBondContact O-N 3.19Å; D894-L900 HydrophobicContact CB-CD2 4.08Å; L900-N902 PolarHBondContact O-N 3.3Å; L900-W919 HydrophobicContact CD1-CE3 4.28Å; L900-W919 HydrophobicContact CD1-CH2 4.38Å; L900-W919 HydrophobicContact CD1-CZ3 3.75Å | ||
| 901 | N | 61.2 | Low | 62.6 | Low | 152 Ų | 152 | 100 Ų | 100 | 81% | 0.813 | 52% | 0.516 | S | S | * | . | trans | -65.6 | 0.6 | -177.6 | -71.5 | -18.8 | 0 | 0 | 0 | 116.3 | P899 | P899-N901 PolarHBondContact O-N 3.13Š| ||
| 902 | N | 55.9 | Low | 60.6 | Low | 135 Ų | 135 | 103.2 Ų | 103.2 | 72% | 0.722 | 53% | 0.528 | S | S | * | . | trans | -134.3 | 103.9 | -178.8 | -105.2 | -28.3 | 0 | 0 | 0 | 112.3 | L900 T904 | L900-N902 PolarHBondContact O-N 3.3Å; N902-T904 VanDerWaalsContact C-N 3.34Å; N902-T904 PolarHBondContact O-N 2.61Å; N902-T904 VanDerWaalsContact O-N 3.1Å | ||
| 903 | L | 52.9 | Low | 58.8 | Low | 129 Ų | 129 | 104.6 Ų | 104.6 | 68% | 0.675 | 54% | 0.542 | S | S | * | . | trans | -84.9 | 63.1 | -179.3 | -87.5 | 160.7 | 0 | 0 | 0 | 112.7 | P892 F906 | P892-L903 HydrophobicContact CG-CD2 4.21Å; L903-F906 HydrophobicContact CD2-CD2 4.21Å; L903-F906 HydrophobicContact CD2-CE2 4.26Å | ||
| 904 | T | 46.8 | Very low | 57.2 | Low | 120 Ų | 120 | 106.3 Ų | 106.3 | 74% | 0.736 | 55% | 0.551 | S | S | * | * | trans | -106.8 | 1.2 | 178.2 | 51.8 | 0 | 0 | 0 | 0 | 114.6 | N902 | N902-T904 VanDerWaalsContact C-N 3.34Å; N902-T904 PolarHBondContact O-N 2.61Å; N902-T904 VanDerWaalsContact O-N 3.1Å | ||
| 905 | Y | 44.8 | Very low | 55.6 | Low | 218 Ų | 218 | 107.4 Ų | 107.4 | 86% | 0.855 | 57% | 0.566 | S | S | * | * | trans | -93.2 | -6.7 | -171.8 | -116.7 | -90.6 | 0 | 0 | 0 | 116.1 | N907 | Y905-N907 PolarHBondContact O-N 3.41Š| ||
| 906 | F | 44.4 | Very low | 54.9 | Low | 99 Ų | 99 | 109.3 Ų | 109.3 | 43% | 0.434 | 57% | 0.572 | S | S | . | * | trans | -89.2 | 93.8 | 176.2 | -80.1 | -80.1 | 0 | 0 | 0 | 111.5 | L903 M917 W919 | L903-F906 HydrophobicContact CD2-CD2 4.21Å; L903-F906 HydrophobicContact CD2-CE2 4.26Å; F906-M917 HydrophobicContact CE1-CE 4.13Å; F906-M917 HydrophobicContact CZ-CE 3.64Å; F906-W919 HydrophobicContact CE2-CZ2 4.16Å; F906-W919 HydrophobicContact CZ-CZ2 4.19Å | ||
| 907 | N | 42.8 | Very low | 54.9 | Low | 114 Ų | 114 | 107.3 Ų | 107.3 | 61% | 0.61 | 56% | 0.561 | S | S | * | * | trans | -94.7 | 107.9 | 162.3 | -173.4 | -18.2 | 0 | 0 | 0 | 108.6 | Y905 N909 N910 | Y905-N907 PolarHBondContact O-N 3.41Å; N907-N909 PolarHBondContact O-N 2.8Å; N907-N909 PolarHBondContact OD1-ND2 2.95Å; N907-N910 PolarHBondContact O-N 3.12Å; N907-N910 VanDerWaalsContact O-N 3.13Å | ||
| 908 | E | 44.7 | Very low | 54.8 | Low | 149 Ų | 149 | 108.4 Ų | 108.4 | 70% | 0.696 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.4 | -6.5 | -170.4 | -59.3 | -168.7 | 131.5 | 0 | 0 | 115.2 | Y911 | E908-Y911 WeakPolarHBondContact O-CE2 3.12Å; E908-Y911 PolarHBondContact O-OH 2.86Å; E908-Y911 VanDerWaalsContact O-OH 3.14Å |
| 909 | N | 42 | Very low | 55.1 | Low | 135 Ų | 135 | 105.4 Ų | 105.4 | 72% | 0.722 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -12 | -179.6 | -63.8 | -72.2 | 0 | 0 | 0 | 114.2 | N907 Y911 | N907-N909 PolarHBondContact O-N 2.8Å; N907-N909 PolarHBondContact OD1-ND2 2.95Å; N909-Y911 WeakPolarHBondContact O-CD2 3.44Å; N909-Y911 PolarHBondContact O-N 2.71Å |
| 910 | N | 43.9 | Very low | 55.4 | Low | 103 Ų | 103 | 101.6 Ų | 101.6 | 55% | 0.551 | 53% | 0.526 | S | S | * | . | trans | -100.2 | 61.6 | -173.1 | -159 | 3.9 | 0 | 0 | 0 | 113.5 | N907 N912 A913 | N907-N910 PolarHBondContact O-N 3.12Å; N907-N910 VanDerWaalsContact O-N 3.13Å; N910-N912 PolarHBondContact O-N 2.78Å; N910-A913 WeakPolarHBondContact O-CB 3.3Å; N910-A913 PolarHBondContact O-N 3.32Å | ||
| 911 | Y | 46.7 | Very low | 55.9 | Low | 121 Ų | 121 | 98.3 Ų | 98.3 | 48% | 0.475 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -55.6 | -18.2 | -172.8 | -71.5 | -90.7 | 0 | 0 | 0 | 116.1 | E908 N909 A913 | E908-Y911 WeakPolarHBondContact O-CE2 3.12Å; E908-Y911 PolarHBondContact O-OH 2.86Å; E908-Y911 VanDerWaalsContact O-OH 3.14Å; N909-Y911 WeakPolarHBondContact O-CD2 3.44Å; N909-Y911 PolarHBondContact O-N 2.71Å; Y911-A913 VanDerWaalsContact C-N 3.32Å |
| 912 | N | 42.8 | Very low | 56.8 | Low | 135 Ų | 135 | 95 Ų | 95 | 72% | 0.722 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -76.9 | -16.4 | 177.9 | -67.3 | -12.8 | 0 | 0 | 0 | 113.1 | N910 I914 | N910-N912 PolarHBondContact O-N 2.78Å; N912-I914 VanDerWaalsContact C-N 3.3Å; N912-I914 PolarHBondContact O-N 3.45Å |
| 913 | A | 44.5 | Very low | 58 | Low | 66 Ų | 66 | 93.7 Ų | 93.7 | 55% | 0.545 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -76.7 | -8.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | N910 Y911 A915 | N910-A913 WeakPolarHBondContact O-CB 3.3Å; N910-A913 PolarHBondContact O-N 3.32Å; Y911-A913 VanDerWaalsContact C-N 3.32Å; A913-A915 PolarHBondContact O-N 3.37Å |
| 914 | I | 48.8 | Very low | 59.5 | Low | 43 Ų | 43 | 88.9 Ų | 88.9 | 22% | 0.221 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 11 | -174.5 | -46.4 | 172.5 | 0 | 0 | 0 | 112.1 | W674 N912 M917 R923 | W674-I914 HydrophobicContact CH2-CG2 3.78Å; W674-I914 HydrophobicContact CZ2-CD1 4.43Å; W674-I914 HydrophobicContact CZ2-CG2 3.55Å; N912-I914 VanDerWaalsContact C-N 3.3Å; N912-I914 PolarHBondContact O-N 3.45Å; I914-M917 HydrophobicContact CG2-SD 4.34Å; I914-R923 PolarHBondContact O-NH2 3.07Å |
| 915 | A | 47.7 | Very low | 61.3 | Low | 65 Ų | 65 | 88 Ų | 88 | 54% | 0.537 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -29.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A913 | A913-A915 PolarHBondContact O-N 3.37Š|
| 916 | E | 58.8 | Low | 63.4 | Low | 173 Ų | 173 | 79.2 Ų | 79.2 | 81% | 0.808 | 41% | 0.414 | S | S | * | . | trans | -128.9 | 27.8 | -161.7 | -59.7 | -164.2 | 135 | 0 | 0 | 115.1 | P918 | E916-P918 VanDerWaalsContact O-CD 3.24Å; E916-P918 WeakPolarHBondContact O-CD 3.1Å | ||
| 917 | M | 71.9 | Confident | 65.5 | Low | 28 Ų | 28 | 79.9 Ų | 79.9 | 14% | 0.138 | 42% | 0.419 | C | S | . | . | trans | -69.8 | 115.9 | 174.1 | -64 | 169.8 | 69.6 | 0 | 0 | 110.5 | F906 I914 W919 C920 | F906-M917 HydrophobicContact CE1-CE 4.13Å; F906-M917 HydrophobicContact CZ-CE 3.64Å; I914-M917 HydrophobicContact CG2-SD 4.34Å; M917-W919 VanDerWaalsContact C-N 3.3Å; M917-W919 HydrophobicContact CE-CZ2 3.57Å; M917-W919 PolarHBondContact O-N 3.48Å; M917-C920 HydrophobicContact CB-CB 4.04Å; M917-C920 VanDerWaalsContact CE-SG 3.58Å; M917-C920 PolarHBondContact O-N 3.12Å | ||
| 918 | P | 71.9 | Confident | 67.7 | Low | 34 Ų | 34 | 75.6 Ų | 75.6 | 22% | 0.221 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -20 | -174.9 | 26.5 | -32.1 | 0 | 0 | 0 | 113.9 | K637 I895 E916 | K637-P918 WeakPolarHBondContact CA-O 3.31Å; K637-P918 WeakPolarHBondContact CB-O 3.17Å; K637-P918 WeakPolarHBondContact CG-O 3.39Å; I895-P918 HydrophobicContact CG2-CB 4.1Å; I895-P918 HydrophobicContact CG2-CG 4.23Å; E916-P918 VanDerWaalsContact O-CD 3.24Å; E916-P918 WeakPolarHBondContact O-CD 3.1Å |
| 919 | W | 85.8 | Confident | 69.8 | Low | 31 Ų | 31 | 70.9 Ų | 70.9 | 12% | 0.117 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | 4.4 | 177.2 | 66.1 | 92.5 | 0 | 0 | 0 | 114.6 | C889 H890 P892 H893 L900 F906 M917 | C889-W919 CarbonylContact C-O 3.59Å; C889-W919 VanDerWaalsContact CA-O 3.31Å; C889-W919 WeakPolarHBondContact CA-O 3.23Å; H890-W919 HydrophobicContact CB-CB 4.35Å; H890-W919 PolarHBondContact N-O 2.65Å; P892-W919 HydrophobicContact CB-CD2 4.16Å; P892-W919 HydrophobicContact CB-CE3 4.47Å; P892-W919 HydrophobicContact CB-CH2 4.44Å; P892-W919 HydrophobicContact CB-CZ2 4.12Å; P892-W919 HydrophobicContact CG-CZ2 4.34Å; H893-W919 WeakPolarHBondContact NE2-CA 3.34Å; H893-W919 WeakPolarHBondContact NE2-CB 3.47Å; H893-W919 VanDerWaalsContact O-CE3 3.23Å; L900-W919 HydrophobicContact CD1-CE3 4.28Å; L900-W919 HydrophobicContact CD1-CH2 4.38Å; L900-W919 HydrophobicContact CD1-CZ3 3.75Å; F906-W919 HydrophobicContact CE2-CZ2 4.16Å; F906-W919 HydrophobicContact CZ-CZ2 4.19Å; M917-W919 VanDerWaalsContact C-N 3.3Å; M917-W919 HydrophobicContact CE-CZ2 3.57Å; M917-W919 PolarHBondContact O-N 3.48Å |
| 920 | C | 87 | Confident | 72.1 | Confident | 8 Ų | 8 | 64.6 Ų | 64.6 | 5% | 0.054 | 34% | 0.337 | C | S | . | . | B | Isolated β-bridge | trans | -124.9 | 147 | -179 | -71 | 0 | 0 | 0 | 0 | 112.1 | K637 A888 C889 M917 | K637-C920 WeakPolarHBondContact CE-O 3.44Å; K637-C920 VanDerWaalsContact CG-O 3.31Å; K637-C920 WeakPolarHBondContact CG-O 3.38Å; A888-C920 CarbonylContact O-C 3.53Å; A888-C920 WeakPolarHBondContact O-CA 3.34Å; C889-C920 HydrophobicContact CB-CB 4.15Å; C889-C920 WeakPolarHBondContact CB-SG 3.36Å; C889-C920 WeakPolarHBondContact SG-CB 3.24Å; C889-C920 CovalentContact SG-SG 2.04Å; C889-C920 PolarHBondContact SG-SG 2.79Å; M917-C920 HydrophobicContact CB-CB 4.04Å; M917-C920 VanDerWaalsContact CE-SG 3.58Å; M917-C920 PolarHBondContact O-N 3.12Å |
| 921 | S | 87.9 | Confident | 74.2 | Confident | 7 Ų | 7 | 63.3 Ų | 63.3 | 5% | 0.049 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -70 | 162.8 | -171.9 | 74.9 | 0 | 0 | 0 | 0 | 113.8 | P638 S639 S887 A888 | P638-S921 VanDerWaalsContact O-CA 3.24Å; P638-S921 WeakPolarHBondContact O-CA 3.29Å; P638-S921 VanDerWaalsContact O-CB 3.23Å; P638-S921 WeakPolarHBondContact O-CB 3.17Å; S639-S921 WeakPolarHBondContact O-CB 3.05Å; S887-S921 VanDerWaalsContact CA-OG 3.25Å; S887-S921 WeakPolarHBondContact CA-OG 3.34Å; S887-S921 WeakPolarHBondContact CB-OG 3.4Å; S887-S921 PolarHBondContact OG-O 2.89Å; A888-S921 PolarHBondContact N-OG 3.27Å; A888-S921 PolarHBondContact O-N 3.13Å |
| 922 | T | 81.7 | Confident | 76 | Confident | 82 Ų | 82 | 59.6 Ų | 59.6 | 50% | 0.503 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -51.6 | 149.4 | 154.3 | 38.8 | 0 | 0 | 0 | 0 | 110.9 | S640 | S640-T922 WeakPolarHBondContact OG-CB 3.05Å; S640-T922 PolarHBondContact OG-O 3.49Å; S640-T922 VanDerWaalsContact OG-O 3.05Å; S640-T922 PolarHBondContact OG-OG1 2.74Å |
| 923 | R | 80.8 | Confident | 78.2 | Confident | 108 Ų | 108 | 54.8 Ų | 54.8 | 41% | 0.408 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 127.4 | -174.3 | -70 | 169.5 | -172.8 | 174.4 | 4 | 110.4 | V885 I914 I925 | V885-R923 HydrophobicContact CG1-CB 3.76Å; V885-R923 HydrophobicContact CG1-CG 3.78Å; I914-R923 PolarHBondContact O-NH2 3.07Å; R923-I925 HydrophobicContact CB-CG1 4.33Å |
| 924 | S | 83.4 | Confident | 80.1 | Confident | 27 Ų | 27 | 59.7 Ų | 59.7 | 19% | 0.189 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 144.4 | 161 | -163.3 | 0 | 0 | 0 | 0 | 108.8 | P641 V885 I886 | P641-S924 PolarHBondContact O-OG 2.83Å; V885-S924 CarbonylContact C-O 3.53Å; V885-S924 WeakPolarHBondContact CA-O 3.42Å; I886-S924 PolarHBondContact N-O 3.31Å; I886-S924 PolarHBondContact O-N 2.68Å |
| 925 | I | 85.7 | Confident | 81.7 | Confident | 101 Ų | 101 | 59.7 Ų | 59.7 | 52% | 0.518 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 133.7 | -164.6 | -54.7 | -175.3 | 0 | 0 | 0 | 110.1 | L883 F884 V885 R923 | L883-I925 HydrophobicContact CD1-CG2 3.49Å; L883-I925 VanDerWaalsContact CD1-CG2 3.49Å; L883-I925 HydrophobicContact CG-CG2 4.4Å; F884-I925 WeakPolarHBondContact O-CA 3.43Å; V885-I925 HydrophobicContact CG1-CG1 4.36Å; V885-I925 HydrophobicContact CG2-CD1 4.48Å; V885-I925 HydrophobicContact CG2-CG1 4.06Å; V885-I925 HydrophobicContact CG2-CG2 4.17Å; R923-I925 HydrophobicContact CB-CG1 4.33Å |
| 926 | I | 87.9 | Confident | 83.5 | Confident | 35 Ų | 35 | 58.7 Ų | 58.7 | 18% | 0.179 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 149.2 | 169.7 | -167.1 | 165.2 | 0 | 0 | 0 | 111.3 | F644 A646 F884 | F644-I926 HydrophobicContact CD1-CB 4.31Å; F644-I926 HydrophobicContact CD1-CG2 4.02Å; F644-I926 HydrophobicContact CE1-CB 4.28Å; F644-I926 HydrophobicContact CE1-CG2 3.61Å; F644-I926 HydrophobicContact CZ-CG2 3.91Å; A646-I926 HydrophobicContact CB-CD1 4.35Å; A646-I926 HydrophobicContact CB-CG2 3.94Å; F884-I926 HydrophobicContact CB-CG2 3.94Å; F884-I926 HydrophobicContact CD2-CG2 4.38Å; F884-I926 PolarHBondContact N-O 2.87Å; F884-I926 PolarHBondContact O-N 2.96Å |
| 927 | Q | 88.7 | Confident | 84.8 | Confident | 113 Ų | 113 | 51 Ų | 51 | 53% | 0.528 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 128.4 | 170.4 | -68.1 | 174.7 | -19.4 | 0 | 0 | 108.1 | L678 Y882 L883 | L678-Q927 HydrophobicContact CD1-CG 3.94Å; Y882-Q927 WeakPolarHBondContact O-CA 3.39Å; L883-Q927 HydrophobicContact CD1-CG 3.59Å |
| 928 | Q | 89.4 | Confident | 85.6 | Confident | 23 Ų | 23 | 52.5 Ų | 52.5 | 11% | 0.107 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 146.4 | 178 | -178 | 55.3 | 43.3 | 0 | 0 | 110.4 | A646 M654 T704 Y882 F884 | A646-Q928 HydrophobicContact CB-CB 4.05Å; A646-Q928 HydrophobicContact CB-CG 4.35Å; M654-Q928 HydrophobicContact CE-CB 4.26Å; M654-Q928 HydrophobicContact CE-CG 3.85Å; M654-Q928 HydrophobicContact SD-CB 4.06Å; M654-Q928 HydrophobicContact SD-CG 3.44Å; M654-Q928 WeakPolarHBondContact SD-CG 3.43Å; T704-Q928 PolarHBondContact OG1-NE2 2.86Å; T704-Q928 PolarHBondContact OG1-OE1 2.83Å; Y882-Q928 PolarHBondContact N-O 2.69Å; Y882-Q928 PolarHBondContact O-N 3.42Å; F884-Q928 HydrophobicContact CE2-CB 4.46Å |
| 929 | R | 88.3 | Confident | 86.2 | Confident | 51 Ų | 51 | 51.3 Ų | 51.3 | 19% | 0.192 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 144.1 | -179.2 | -163.1 | 177 | -67.1 | -180 | 1.3 | 111.1 | Y879 T880 E881 | Y879-R929 VanDerWaalsContact CE1-NH1 3.27Å; Y879-R929 PolarHBondContact OH-NH1 3.01Å; T880-R929 WeakPolarHBondContact O-CA 3.48Å; T880-R929 WeakPolarHBondContact O-CG 3.41Å; E881-R929 HydrophobicContact CB-CB 4.49Å; E881-R929 HydrophobicContact CB-CG 4.35Å; E881-R929 HydrophobicContact CG-CB 4.45Å; E881-R929 IonicContact OE2-CZ 3.3Å; E881-R929 IonicContact OE2-NE 2.97Å; E881-R929 PolarHBondContact OE2-NE 2.85Å; E881-R929 IonicContact OE2-NH2 2.69Å; E881-R929 PolarHBondContact OE2-NH2 2.85Å |
| 930 | T | 90.1 | Very high | 86.3 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 160.9 | 169.2 | 49.9 | 0 | 0 | 0 | 0 | 111.9 | S648 M654 L876 H877 Y879 T880 Y882 | S648-T930 WeakPolarHBondContact OG-CA 3.43Å; M654-T930 HydrophobicContact CE-CG2 3.87Å; L876-T930 HydrophobicContact CB-CG2 3.79Å; L876-T930 HydrophobicContact CD1-CG2 3.91Å; H877-T930 WeakPolarHBondContact O-CB 3.33Å; H877-T930 PolarHBondContact O-OG1 3.47Å; Y879-T930 WeakPolarHBondContact CA-O 3.28Å; Y879-T930 PolarHBondContact N-OG1 3.47Å; T880-T930 PolarHBondContact N-OG1 3.44Å; T880-T930 PolarHBondContact O-N 3.02Å; T880-T930 VanDerWaalsContact O-N 3.12Å; T880-T930 PolarHBondContact O-OG1 2.96Å; Y882-T930 HydrophobicContact CE2-CG2 4.49Å |
| 931 | D | 88.1 | Confident | 86.2 | Confident | 75 Ų | 75 | 54.3 Ų | 54.3 | 40% | 0.401 | 30% | 0.299 | S | S | . | . | P | Polyproline II helix | trans | -71 | 164.2 | 178.5 | -57.5 | -61.4 | 0 | 0 | 0 | 113.3 | S648 N650 S651 Y879 | S648-D931 VanDerWaalsContact CB-OD2 3.27Å; S648-D931 WeakPolarHBondContact CB-OD2 3.36Å; S648-D931 PolarHBondContact OG-N 2.93Å; S648-D931 VanDerWaalsContact OG-N 3.12Å; S648-D931 PolarHBondContact OG-OD2 2.85Å; N650-D931 VanDerWaalsContact C-OD2 3.31Å; N650-D931 WeakPolarHBondContact CA-OD2 3.41Å; N650-D931 PolarHBondContact N-OD2 2.85Å; S651-D931 WeakPolarHBondContact CA-O 3.45Å; S651-D931 VanDerWaalsContact CB-O 3.24Å; S651-D931 WeakPolarHBondContact CB-O 3.34Å; Y879-D931 PolarHBondContact N-O 3.29Å |
| 932 | A | 85.5 | Confident | 86 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 142.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y879 N1018 A1101 | Y879-A932 HydrophobicContact CD2-CB 3.82Å; A932-N1018 WeakPolarHBondContact CA-OD1 3.31Å; A932-A1101 HydrophobicContact CB-CB 3.93Å |
| 933 | S | 88.4 | Confident | 86.2 | Confident | 34 Ų | 34 | 56.6 Ų | 56.6 | 24% | 0.238 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -85.8 | 138.6 | 166.8 | -171.5 | 0 | 0 | 0 | 0 | 109.5 | V936 N1018 | S933-V936 WeakPolarHBondContact OG-CG1 3.31Å; S933-N1018 PolarHBondContact N-OD1 3.42Å; S933-N1018 PolarHBondContact O-ND2 3.37Å |
| 934 | I | 84.3 | Confident | 86.3 | Confident | 168 Ų | 168 | 52.1 Ų | 52.1 | 86% | 0.862 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 133.4 | -175 | -59.2 | 175.4 | 0 | 0 | 0 | 109.8 | V936 | I934-V936 VanDerWaalsContact C-N 3.3Å; I934-V936 PolarHBondContact O-N 3.39Å |
| 935 | G | 82.9 | Confident | 86.2 | Confident | 44 Ų | 44 | 54.4 Ų | 54.4 | 45% | 0.454 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79 | -5.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | D937 D938 | G935-D937 PolarHBondContact O-N 3.26Å; G935-D938 WeakPolarHBondContact O-CB 3.18Å; G935-D938 PolarHBondContact O-N 2.64Å |
| 936 | V | 85.9 | Confident | 85.6 | Confident | 44 Ų | 44 | 52.7 Ų | 52.7 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -11 | 179.5 | -55.3 | 0 | 0 | 0 | 0 | 114.3 | S933 I934 P1014 Q1016 N1018 | S933-V936 WeakPolarHBondContact OG-CG1 3.31Å; I934-V936 VanDerWaalsContact C-N 3.3Å; I934-V936 PolarHBondContact O-N 3.39Å; V936-P1014 WeakPolarHBondContact O-CB 3.17Å; V936-Q1016 WeakPolarHBondContact CB-O 3.39Å; V936-Q1016 WeakPolarHBondContact CG2-O 3.47Å; V936-N1018 WeakPolarHBondContact CG2-ND2 3.15Å |
| 937 | D | 86.2 | Confident | 84.6 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 6% | 0.059 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | -1.4 | 176.9 | -67.5 | -39.6 | 0 | 0 | 0 | 113.1 | G935 P1014 P1017 N1018 S1097 S1099 | G935-D937 PolarHBondContact O-N 3.26Å; D937-P1014 WeakPolarHBondContact O-CG 3.5Å; D937-P1017 WeakPolarHBondContact OD1-CA 3.49Å; D937-P1017 VanDerWaalsContact OD1-CB 3.25Å; D937-P1017 WeakPolarHBondContact OD1-CB 3.4Å; D937-N1018 PolarHBondContact OD1-N 3.5Å; D937-N1018 WeakPolarHBondContact OD2-CB 3.33Å; D937-N1018 PolarHBondContact OD2-ND2 3.19Å; D937-S1097 VanDerWaalsContact O-CB 3.23Å; D937-S1097 WeakPolarHBondContact O-CB 3.36Å; D937-S1097 PolarHBondContact O-OG 2.82Å; D937-S1099 VanDerWaalsContact CG-OG 3.22Å; D937-S1099 WeakPolarHBondContact OD1-CB 3.42Å; D937-S1099 PolarHBondContact OD1-OG 3.3Å; D937-S1099 VanDerWaalsContact OD2-CB 3.31Å; D937-S1099 WeakPolarHBondContact OD2-CB 3.06Å; D937-S1099 PolarHBondContact OD2-OG 3.44Å |
| 938 | D | 87.5 | Confident | 83.1 | Confident | 59 Ų | 59 | 52.2 Ų | 52.2 | 32% | 0.316 | 29% | 0.294 | S | S | . | . | trans | -80.6 | 145.1 | -174.7 | -70 | 7.4 | 0 | 0 | 0 | 112 | G935 G1104 S1105 | G935-D938 WeakPolarHBondContact O-CB 3.18Å; G935-D938 PolarHBondContact O-N 2.64Å; D938-G1104 WeakPolarHBondContact OD1-CA 3.38Å; D938-S1105 VanDerWaalsContact CG-CB 3.49Å; D938-S1105 VanDerWaalsContact CG-OG 3.29Å; D938-S1105 PolarHBondContact OD1-N 2.87Å; D938-S1105 PolarHBondContact OD1-OG 3Å; D938-S1105 WeakPolarHBondContact OD2-CB 3.45Å; D938-S1105 PolarHBondContact OD2-OG 3.32Å | ||
| 939 | I | 86 | Confident | 81.2 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 5% | 0.051 | 31% | 0.311 | C | S | . | . | trans | -94.1 | 126.6 | -179.3 | -61.9 | 165.8 | 0 | 0 | 0 | 109.3 | S941 W1011 P1014 Y1024 I1095 T1107 | I939-S941 PolarHBondContact O-N 3.39Å; I939-W1011 HydrophobicContact CG2-CB 4.37Å; I939-W1011 HydrophobicContact CG2-CG 4.35Å; I939-P1014 HydrophobicContact CG1-CG 4.37Å; I939-Y1024 HydrophobicContact CD1-CD1 3.78Å; I939-Y1024 HydrophobicContact CD1-CE1 3.97Å; I939-I1095 HydrophobicContact CD1-CB 4.16Å; I939-I1095 HydrophobicContact CD1-CG2 3.56Å; I939-T1107 HydrophobicContact CB-CG2 3.65Å; I939-T1107 HydrophobicContact CG2-CG2 3.79Å | ||
| 940 | D | 86 | Confident | 79 | Confident | 76 Ų | 76 | 61.5 Ų | 61.5 | 41% | 0.406 | 35% | 0.345 | S | S | . | . | trans | -58.5 | 112.2 | 170.6 | 168.5 | 33.5 | 0 | 0 | 0 | 110.1 | N942 S943 | D940-N942 PolarHBondContact O-N 2.9Å; D940-N942 WeakPolarHBondContact OD1-CB 3.47Å; D940-N942 PolarHBondContact OD1-N 2.91Å; D940-N942 PolarHBondContact OD1-ND2 3.08Å; D940-S943 WeakPolarHBondContact O-CB 3.3Å; D940-S943 PolarHBondContact O-N 3.25Å; D940-S943 PolarHBondContact O-OG 2.92Å; D940-S943 PolarHBondContact OD2-N 3.46Å; D940-S943 VanDerWaalsContact OD2-N 3.11Å | ||
| 941 | S | 85.1 | Confident | 76.2 | Confident | 25 Ų | 25 | 68.5 Ų | 68.5 | 18% | 0.175 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -14 | -179.1 | -61.5 | 0 | 0 | 0 | 0 | 113 | I939 T1107 S1108 K1110 | I939-S941 PolarHBondContact O-N 3.39Å; S941-T1107 VanDerWaalsContact OG-CA 3.3Å; S941-T1107 WeakPolarHBondContact OG-CA 3.35Å; S941-T1107 VanDerWaalsContact OG-CB 3.23Å; S941-T1107 WeakPolarHBondContact OG-CB 3.36Å; S941-S1108 WeakPolarHBondContact CB-OG 3.46Å; S941-S1108 PolarHBondContact OG-N 3.34Å; S941-K1110 WeakPolarHBondContact O-CE 3.37Å; S941-K1110 PolarHBondContact O-NZ 3.28Å |
| 942 | N | 84.9 | Confident | 73.5 | Confident | 132 Ų | 132 | 68 Ų | 68 | 71% | 0.706 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -20 | 174.1 | -53.7 | -64.8 | 0 | 0 | 0 | 112.4 | D940 I944 | D940-N942 PolarHBondContact O-N 2.9Å; D940-N942 WeakPolarHBondContact OD1-CB 3.47Å; D940-N942 PolarHBondContact OD1-N 2.91Å; D940-N942 PolarHBondContact OD1-ND2 3.08Å; N942-I944 PolarHBondContact O-N 3.07Å |
| 943 | S | 84.9 | Confident | 70.8 | Confident | 5 Ų | 5 | 72.5 Ų | 72.5 | 4% | 0.035 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -72.6 | -14.3 | 176.2 | 78.1 | 0 | 0 | 0 | 0 | 114.3 | D940 Q945 R1012 | D940-S943 WeakPolarHBondContact O-CB 3.3Å; D940-S943 PolarHBondContact O-N 3.25Å; D940-S943 PolarHBondContact O-OG 2.92Å; D940-S943 PolarHBondContact OD2-N 3.46Å; D940-S943 VanDerWaalsContact OD2-N 3.11Å; S943-Q945 PolarHBondContact O-N 3.5Å; S943-R1012 PolarHBondContact OG-N 2.68Å |
| 944 | I | 83.2 | Confident | 68.1 | Low | 15 Ų | 15 | 78.5 Ų | 78.5 | 8% | 0.077 | 45% | 0.447 | C | S | . | . | trans | -75.3 | 124 | -176.1 | -49.1 | 176.4 | 0 | 0 | 0 | 111 | N942 R1010 W1011 F1093 I1095 T1107 K1110 | N942-I944 PolarHBondContact O-N 3.07Å; I944-R1010 CarbonylContact C-O 3.57Å; I944-R1010 WeakPolarHBondContact CA-O 3.45Å; I944-W1011 HydrophobicContact CG1-CB 4.08Å; I944-F1093 HydrophobicContact CG2-CE2 3.79Å; I944-F1093 HydrophobicContact CG2-CZ 3.75Å; I944-I1095 HydrophobicContact CD1-CD1 4.29Å; I944-I1095 HydrophobicContact CD1-CG1 4.4Å; I944-I1095 HydrophobicContact CG2-CD1 4.48Å; I944-T1107 HydrophobicContact CD1-CG2 3.94Å; I944-T1107 WeakPolarHBondContact CD1-OG1 3.33Å; I944-K1110 HydrophobicContact CB-CG 4.42Å; I944-K1110 HydrophobicContact CD1-CG 4.06Å; I944-K1110 HydrophobicContact CG2-CG 4.21Å | ||
| 945 | Q | 80.9 | Confident | 65.5 | Low | 74 Ų | 74 | 78.5 Ų | 78.5 | 35% | 0.346 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 151.5 | -179.8 | -57.7 | 172.9 | 11.9 | 0 | 0 | 110.5 | S943 R1010 | S943-Q945 PolarHBondContact O-N 3.5Å; Q945-R1010 HydrophobicContact CB-CG 3.87Å; Q945-R1010 PolarHBondContact N-O 3.26Å; Q945-R1010 PolarHBondContact O-N 3.24Å; Q945-R1010 VanDerWaalsContact OE1-CZ 3.26Å |
| 946 | L | 73.1 | Confident | 63.1 | Low | 66 Ų | 66 | 83 Ų | 83 | 35% | 0.346 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 145.2 | 170.7 | -119 | 96.3 | 0 | 0 | 0 | 110.1 | K1007 Q1008 L1009 F1093 F1112 | L946-K1007 HydrophobicContact CD2-CD 4.34Å; L946-Q1008 WeakPolarHBondContact CA-O 3.44Å; L946-L1009 HydrophobicContact CD1-CD2 3.38Å; L946-L1009 HydrophobicContact CG-CD2 3.86Å; L946-F1093 HydrophobicContact CD1-CE1 3.84Å; L946-F1093 HydrophobicContact CD1-CZ 4.09Å; L946-F1112 HydrophobicContact CD1-CB 4.07Å; L946-F1112 HydrophobicContact CD1-CD1 4.29Å; L946-F1112 HydrophobicContact CD2-CB 3.5Å; L946-F1112 VanDerWaalsContact CD2-CB 3.5Å; L946-F1112 HydrophobicContact CD2-CG 4.26Å; L946-F1112 HydrophobicContact CG-CB 4.45Å |
| 947 | V | 67.6 | Low | 60.6 | Low | 37 Ų | 37 | 87 Ų | 87 | 22% | 0.224 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 132.6 | 172 | -174 | 0 | 0 | 0 | 0 | 109.3 | E949 Q1008 | V947-E949 HydrophobicContact CG1-CG 4.18Å; V947-Q1008 HydrophobicContact CB-CB 4.2Å; V947-Q1008 PolarHBondContact N-O 3.25Å; V947-Q1008 WeakPolarHBondContact O-CB 3.2Å; V947-Q1008 PolarHBondContact O-N 3.46Å; V947-Q1008 VanDerWaalsContact O-N 3.1Å |
| 948 | D | 57.5 | Low | 58.1 | Low | 100 Ų | 100 | 94.1 Ų | 94.1 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | trans | -110.4 | 103.2 | 179.2 | -81.1 | 2.3 | 0 | 0 | 0 | 109.2 | K1007 | D948-K1007 WeakPolarHBondContact OD1-CD 3.18Å; D948-K1007 WeakPolarHBondContact OD1-CE 3.44Å; D948-K1007 IonicContact OD1-NZ 2.69Å; D948-K1007 PolarHBondContact OD1-NZ 3.4Å; D948-K1007 IonicContact OD2-NZ 3.65Å; D948-K1007 PolarHBondContact OD2-NZ 2.82Å | ||
| 949 | E | 49.1 | Very low | 55.6 | Low | 98 Ų | 98 | 95.9 Ų | 95.9 | 46% | 0.458 | 53% | 0.534 | S | S | . | . | trans | -94.5 | 111.5 | 179.8 | -64.4 | -174.4 | 125 | 0 | 0 | 111.3 | V947 L951 Q1082 | V947-E949 HydrophobicContact CG1-CG 4.18Å; E949-L951 PolarHBondContact O-N 2.78Å; E949-L951 VanDerWaalsContact O-N 3.15Å; E949-Q1082 PolarHBondContact OE2-NE2 3.29Å | ||
| 950 | N | 41.3 | Very low | 53.3 | Low | 171 Ų | 171 | 100.8 Ų | 100.8 | 91% | 0.914 | 57% | 0.567 | S | S | * | * | trans | -79.7 | 88 | 165.9 | -77.7 | -49.5 | 0 | 0 | 0 | 109 | G952 | N950-G952 PolarHBondContact O-N 3.41Š| ||
| 951 | L | 32.8 | Very low | 51 | Low | 151 Ų | 151 | 102.6 Ų | 102.6 | 79% | 0.791 | 58% | 0.583 | S | S | * | * | trans | -70.6 | 104.1 | -175.8 | -141.7 | 78.7 | 0 | 0 | 0 | 111.7 | E949 | E949-L951 PolarHBondContact O-N 2.78Å; E949-L951 VanDerWaalsContact O-N 3.15Å | ||
| 952 | G | 31.1 | Very low | 48.5 | Very low | 65 Ų | 65 | 105.7 Ų | 105.7 | 67% | 0.67 | 60% | 0.604 | S | S | * | * | trans | -72.5 | 151.1 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | N950 D954 | N950-G952 PolarHBondContact O-N 3.41Å; G952-D954 PolarHBondContact O-N 3.09Å | ||
| 953 | T | 29.2 | Very low | 46.2 | Very low | 137 Ų | 137 | 108.4 Ų | 108.4 | 84% | 0.84 | 61% | 0.613 | S | S | * | * | trans | -73 | 123.5 | 179.1 | 48.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 954 | D | 31.2 | Very low | 43.9 | Very low | 160 Ų | 160 | 113.6 Ų | 113.6 | 86% | 0.856 | 65% | 0.649 | S | S | * | * | -161.8 | 127.7 | 124.4 | -94 | -26 | 0 | 0 | 0 | 109.7 | G952 | G952-D954 PolarHBondContact O-N 3.09Š| |||
| 955 | I | 29.1 | Very low | 41.8 | Very low | 168 Ų | 168 | 116.7 Ų | 116.7 | 86% | 0.862 | 67% | 0.665 | S | S | * | * | trans | -123.7 | 99.4 | 173.3 | -60.6 | 174.1 | 0 | 0 | 0 | 106.4 | ||||
| 956 | D | 33.1 | Very low | 39.8 | Very low | 139 Ų | 139 | 116.2 Ų | 116.2 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | trans | -163.3 | 147.9 | 157.3 | -122.7 | -15.3 | 0 | 0 | 0 | 114.5 | ||||
| 957 | N | 33.9 | Very low | 38.1 | Very low | 128 Ų | 128 | 118.7 Ų | 118.7 | 68% | 0.684 | 69% | 0.693 | S | S | * | * | trans | 46.7 | 89.8 | 152.8 | -59.1 | -51.4 | 0 | 0 | 0 | 120.1 | ||||
| 958 | N | 32.7 | Very low | 36.7 | Very low | 160 Ų | 160 | 121 Ų | 121 | 86% | 0.856 | 71% | 0.711 | S | S | * | * | trans | -152.5 | 90 | 150 | -105.7 | -51.7 | 0 | 0 | 0 | 113.2 | ||||
| 959 | C | 35 | Very low | 35.9 | Very low | 96 Ų | 96 | 120.2 Ų | 120.2 | 65% | 0.649 | 71% | 0.705 | S | S | * | * | trans | -144.1 | 114.2 | 164.9 | -89.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 960 | P | 38.6 | Very low | 35.4 | Very low | 114 Ų | 114 | 121.6 Ų | 121.6 | 74% | 0.74 | 71% | 0.71 | S | S | * | * | trans | -69.2 | 154 | -173.8 | -23 | 34.7 | 0 | 0 | 0 | 115.1 | ||||
| 961 | P | 36.6 | Very low | 35.2 | Very low | 114 Ų | 114 | 123.8 Ų | 123.8 | 74% | 0.74 | 71% | 0.705 | S | S | * | * | trans | -71.4 | 157.5 | 177.4 | 29.9 | -35.4 | 0 | 0 | 0 | 113.7 | E963 | P961-E963 PolarHBondContact O-N 2.87Š| ||
| 962 | S | 32.7 | Very low | 35.5 | Very low | 89 Ų | 89 | 123.1 Ų | 123.1 | 62% | 0.622 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -98.1 | 26.8 | -151.4 | 57 | 0 | 0 | 0 | 0 | 117.5 | ||
| 963 | E | 37.5 | Very low | 35.8 | Very low | 190 Ų | 190 | 123.6 Ų | 123.6 | 89% | 0.888 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -106.8 | -7.4 | -165.6 | -62.3 | -160.7 | 134.7 | 0 | 0 | 116.8 | P961 | P961-E963 PolarHBondContact O-N 2.87Š|
| 964 | S | 36.7 | Very low | 36.4 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 80% | 0.797 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -113.1 | 4.3 | -176.7 | 57.3 | 0 | 0 | 0 | 0 | 115.4 | ||
| 965 | L | 38 | Very low | 36.8 | Very low | 79 Ų | 79 | 120.2 Ų | 120.2 | 41% | 0.414 | 67% | 0.667 | S | S | . | * | trans | -109.3 | 138.7 | -164.4 | -69.7 | 161.4 | 0 | 0 | 0 | 113.5 | M969 K970 | L965-M969 HydrophobicContact CB-CB 4.32Å; L965-M969 HydrophobicContact CD2-CB 4.46Å; L965-M969 HydrophobicContact CD2-CE 3.83Å; L965-M969 HydrophobicContact CD2-SD 3.64Å; L965-K970 WeakPolarHBondContact O-CE 3.38Å | ||
| 966 | S | 39.4 | Very low | 37.1 | Very low | 64 Ų | 64 | 115.3 Ų | 115.3 | 45% | 0.448 | 65% | 0.647 | S | S | . | * | trans | -70.2 | 166.6 | -174.3 | 65.5 | 0 | 0 | 0 | 0 | 113.4 | S968 M969 | S966-S968 PolarHBondContact O-N 2.94Å; S966-S968 VanDerWaalsContact O-N 3.16Å; S966-S968 PolarHBondContact OG-OG 2.99Å; S966-M969 PolarHBondContact O-N 2.85Å | ||
| 967 | S | 36.7 | Very low | 37.2 | Very low | 118 Ų | 118 | 115.2 Ų | 115.2 | 83% | 0.825 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -21.7 | -174 | 47.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 968 | S | 38.5 | Very low | 37.6 | Very low | 85 Ų | 85 | 116.1 Ų | 116.1 | 59% | 0.594 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -39.5 | 172.1 | 48.7 | 0 | 0 | 0 | 0 | 112.7 | S966 K970 | S966-S968 PolarHBondContact O-N 2.94Å; S966-S968 VanDerWaalsContact O-N 3.16Å; S966-S968 PolarHBondContact OG-OG 2.99Å; S968-K970 VanDerWaalsContact C-N 3.32Å; S968-K970 PolarHBondContact O-N 2.89Å |
| 969 | M | 40.5 | Very low | 37.6 | Very low | 85 Ų | 85 | 114.1 Ų | 114.1 | 42% | 0.419 | 63% | 0.634 | S | S | . | * | G | 310 helix | trans | -77.7 | -16.7 | -171.8 | -57.2 | -176.8 | 80 | 0 | 0 | 113 | L965 S966 R971 E972 | L965-M969 HydrophobicContact CB-CB 4.32Å; L965-M969 HydrophobicContact CD2-CB 4.46Å; L965-M969 HydrophobicContact CD2-CE 3.83Å; L965-M969 HydrophobicContact CD2-SD 3.64Å; S966-M969 PolarHBondContact O-N 2.85Å; M969-R971 PolarHBondContact O-N 3.08Å; M969-R971 VanDerWaalsContact O-N 3.17Å; M969-E972 PolarHBondContact O-N 3.33Å |
| 970 | K | 39.1 | Very low | 37.5 | Very low | 126 Ų | 126 | 118.3 Ų | 118.3 | 55% | 0.548 | 64% | 0.641 | S | S | . | * | G | 310 helix | trans | -70.3 | -3.3 | 177.3 | -68.4 | -169.4 | 176.6 | -172.1 | 0 | 115.2 | L965 S968 | L965-K970 WeakPolarHBondContact O-CE 3.38Å; S968-K970 VanDerWaalsContact C-N 3.32Å; S968-K970 PolarHBondContact O-N 2.89Å |
| 971 | R | 37.2 | Very low | 36.9 | Very low | 218 Ų | 218 | 120.3 Ų | 120.3 | 82% | 0.823 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -90.5 | -25.8 | 170.2 | -90.5 | -176 | 169.9 | 171.6 | -2.5 | 113.6 | M969 | M969-R971 PolarHBondContact O-N 3.08Å; M969-R971 VanDerWaalsContact O-N 3.17Å |
| 972 | E | 38.6 | Very low | 36.5 | Very low | 136 Ų | 136 | 123.6 Ų | 123.6 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -33.5 | -171.1 | -63.6 | 176.2 | 141.4 | 0 | 0 | 112.1 | M969 N974 L975 | M969-E972 PolarHBondContact O-N 3.33Å; E972-N974 PolarHBondContact O-N 3.25Å; E972-L975 WeakPolarHBondContact O-CB 3.18Å; E972-L975 PolarHBondContact O-N 2.84Å; E972-L975 VanDerWaalsContact O-N 3.1Å |
| 973 | S | 38.2 | Very low | 36.2 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 53% | 0.531 | 65% | 0.652 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.3 | -27.3 | 177.3 | 61.2 | 0 | 0 | 0 | 0 | 114.1 | L975 | S973-L975 VanDerWaalsContact C-N 3.34Š|
| 974 | N | 41.4 | Very low | 35.8 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 60% | 0.599 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -17.1 | 179.7 | -73.3 | -12.2 | 0 | 0 | 0 | 113.4 | E972 | E972-N974 PolarHBondContact O-N 3.25Š|
| 975 | L | 38.7 | Very low | 35.4 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 59% | 0.592 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -30.4 | -179.6 | -131.9 | 73 | 0 | 0 | 0 | 112.4 | E972 S973 N977 Q978 | E972-L975 WeakPolarHBondContact O-CB 3.18Å; E972-L975 PolarHBondContact O-N 2.84Å; E972-L975 VanDerWaalsContact O-N 3.1Å; S973-L975 VanDerWaalsContact C-N 3.34Å; L975-N977 PolarHBondContact O-N 3.27Å; L975-N977 VanDerWaalsContact O-N 3.15Å; L975-Q978 PolarHBondContact O-N 3.33Å |
| 976 | C | 35.2 | Very low | 35 | Very low | 65 Ų | 65 | 126.8 Ų | 126.8 | 44% | 0.439 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -55.4 | -34.1 | -178.1 | -162.9 | 0 | 0 | 0 | 0 | 112.8 | Q978 | C976-Q978 PolarHBondContact O-N 2.79Š|
| 977 | N | 37 | Very low | 34.5 | Very low | 138 Ų | 138 | 130.7 Ų | 130.7 | 74% | 0.738 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -1.6 | -178.9 | -70.2 | -35 | 0 | 0 | 0 | 114.8 | L975 | L975-N977 PolarHBondContact O-N 3.27Å; L975-N977 VanDerWaalsContact O-N 3.15Å |
| 978 | Q | 41.1 | Very low | 34.4 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 69% | 0.687 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -10.2 | -173.5 | -68.6 | -168.1 | -25.9 | 0 | 0 | 115.3 | L975 C976 F980 | L975-Q978 PolarHBondContact O-N 3.33Å; C976-Q978 PolarHBondContact O-N 2.79Å; Q978-F980 VanDerWaalsContact C-N 3.27Å; Q978-F980 PolarHBondContact O-N 2.83Å |
| 979 | M | 32.6 | Very low | 34 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 58% | 0.576 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 0.1 | -173.9 | -72.6 | -177.2 | 64.2 | 0 | 0 | 116 | P1066 | M979-P1066 HydrophobicContact CE-CG 4.34Š|
| 980 | F | 32.4 | Very low | 33.6 | Very low | 185 Ų | 185 | 130.8 Ų | 130.8 | 81% | 0.811 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | 8.9 | -168.2 | -77.4 | -78.3 | 0 | 0 | 0 | 116.7 | Q978 | Q978-F980 VanDerWaalsContact C-N 3.27Å; Q978-F980 PolarHBondContact O-N 2.83Å |
| 981 | N | 26.7 | Very low | 33 | Very low | 156 Ų | 156 | 129.6 Ų | 129.6 | 83% | 0.834 | 65% | 0.652 | S | S | * | * | trans | -105.3 | 92.9 | 178.3 | -85.5 | -30.1 | 0 | 0 | 0 | 112.7 | ||||
| 982 | F | 28.4 | Very low | 32.6 | Very low | 182 Ų | 182 | 126.6 Ų | 126.6 | 80% | 0.798 | 65% | 0.647 | S | S | * | * | trans | -99.4 | 121.1 | 164.4 | -88.5 | -86.1 | 0 | 0 | 0 | 111 | ||||
| 983 | T | 27.4 | Very low | 32.2 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | trans | -98.2 | 112.8 | 176.6 | 34.8 | 0 | 0 | 0 | 0 | 111.5 | V985 | T983-V985 PolarHBondContact O-N 2.84Š| ||
| 984 | F | 28 | Very low | 31.7 | Very low | 192 Ų | 192 | 130.5 Ų | 130.5 | 84% | 0.842 | 66% | 0.662 | S | S | * | * | trans | -72.2 | 113.3 | 169.7 | -87.5 | -98.7 | 0 | 0 | 0 | 110.6 | N986 | F984-N986 PolarHBondContact O-N 2.66Å; F984-N986 VanDerWaalsContact O-N 3.09Å | ||
| 985 | V | 29.4 | Very low | 31 | Very low | 102 Ų | 102 | 133 Ų | 133 | 62% | 0.618 | 67% | 0.673 | S | S | * | * | trans | -79.6 | 88.4 | 170.5 | -177.5 | 0 | 0 | 0 | 0 | 108.6 | T983 N987 | T983-V985 PolarHBondContact O-N 2.84Å; V985-N987 PolarHBondContact O-N 3.1Å | ||
| 986 | N | 28.8 | Very low | 30.5 | Very low | 131 Ų | 131 | 131.2 Ų | 131.2 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | trans | -78.4 | 102.9 | -178.2 | -155.1 | 1.5 | 0 | 0 | 0 | 109.8 | F984 S988 | F984-N986 PolarHBondContact O-N 2.66Å; F984-N986 VanDerWaalsContact O-N 3.09Å; N986-S988 PolarHBondContact O-N 2.9Å | ||
| 987 | N | 28.6 | Very low | 30.1 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 78% | 0.775 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -82.4 | 65 | -167 | -155.2 | 20.5 | 0 | 0 | 0 | 112.7 | V985 | V985-N987 PolarHBondContact O-N 3.1Š|
| 988 | S | 34.6 | Very low | 29.6 | Very low | 55 Ų | 55 | 139.8 Ų | 139.8 | 39% | 0.385 | 71% | 0.713 | S | S | . | * | S | Bend | trans | -175.3 | 119.6 | 150.5 | 45.4 | 0 | 0 | 0 | 0 | 106.6 | N986 T1122 | N986-S988 PolarHBondContact O-N 2.9Å; S988-T1122 WeakPolarHBondContact OG-CG2 3.34Å |
| 989 | Q | 30.5 | Very low | 29 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 47% | 0.467 | 71% | 0.711 | S | S | . | * | trans | -63.5 | 173.9 | -171.9 | -54.4 | 83.6 | -89.3 | 0 | 0 | 111.1 | T1122 W1123 | Q989-T1122 CarbonylContact O-C 3.53Å; Q989-T1122 VanDerWaalsContact O-CA 3.27Å; Q989-T1122 WeakPolarHBondContact O-CA 3.43Å; Q989-W1123 HydrophobicContact CB-CB 3.74Å; Q989-W1123 HydrophobicContact CB-CD2 3.78Å; Q989-W1123 HydrophobicContact CB-CE3 4.32Å; Q989-W1123 HydrophobicContact CB-CG 3.52Å; Q989-W1123 HydrophobicContact CG-CD2 4.33Å; Q989-W1123 HydrophobicContact CG-CE3 4.49Å; Q989-W1123 VanDerWaalsContact NE2-CZ3 3.27Å; Q989-W1123 WeakPolarHBondContact O-CB 3.49Å; Q989-W1123 PolarHBondContact O-N 3.32Å | ||
| 990 | F | 30.9 | Very low | 28.9 | Very low | 136 Ų | 136 | 136.4 Ų | 136.4 | 60% | 0.596 | 72% | 0.717 | S | S | * | * | trans | -151 | 174.6 | 167.9 | -160.9 | 16.5 | 0 | 0 | 0 | 111.8 | S1121 T1122 | F990-S1121 WeakPolarHBondContact CZ-O 3.35Å; F990-T1122 WeakPolarHBondContact CD1-O 3.44Å; F990-T1122 WeakPolarHBondContact CE1-O 3.34Å | ||
| 991 | N | 28.4 | Very low | 28.9 | Very low | 101 Ų | 101 | 133.4 Ų | 133.4 | 54% | 0.54 | 72% | 0.719 | S | S | . | * | trans | -80 | 152 | 177.3 | -95.7 | -31 | 0 | 0 | 0 | 112.1 | ||||
| 992 | H | 28.9 | Very low | 29.2 | Very low | 155 Ų | 155 | 130.3 Ų | 130.3 | 72% | 0.718 | 72% | 0.715 | S | S | * | * | trans | 62.1 | 105.6 | 142.8 | -83.5 | -94.2 | 0 | 0 | 0 | 122.3 | ||||
| 993 | T | 28.9 | Very low | 29.8 | Very low | 112 Ų | 112 | 132 Ų | 132 | 69% | 0.687 | 72% | 0.722 | S | S | * | * | 69.2 | 121.7 | 126.2 | 54 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 994 | K | 28.7 | Very low | 30.9 | Very low | 182 Ų | 182 | 131.5 Ų | 131.5 | 79% | 0.791 | 71% | 0.714 | S | S | * | * | trans | 59.6 | 116.6 | 135.6 | -75.2 | -173.6 | 173 | -179.8 | 0 | 121.1 | ||||
| 995 | I | 26.7 | Very low | 32.3 | Very low | 163 Ų | 163 | 123.9 Ų | 123.9 | 84% | 0.836 | 69% | 0.685 | S | S | * | * | 58.3 | 104.3 | 128.3 | -51.8 | 168.1 | 0 | 0 | 0 | 116.8 | |||||
| 996 | G | 28.3 | Very low | 33.9 | Very low | 76 Ų | 76 | 121.7 Ų | 121.7 | 78% | 0.784 | 67% | 0.672 | S | S | * | * | trans | -161 | 104.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 997 | K | 25.5 | Very low | 36.1 | Very low | 211 Ų | 211 | 116.9 Ų | 116.9 | 92% | 0.917 | 64% | 0.644 | S | S | * | * | trans | -73.8 | 128.4 | 159.8 | -75.2 | -177.4 | 176.2 | -177.5 | 0 | 107.1 | ||||
| 998 | L | 27.9 | Very low | 38.6 | Very low | 172 Ų | 172 | 111.6 Ų | 111.6 | 90% | 0.901 | 62% | 0.615 | S | S | * | * | trans | -144.6 | 140.7 | 153.4 | -138.7 | 74.3 | 0 | 0 | 0 | 112.5 | ||||
| 999 | S | 28.2 | Very low | 41 | Very low | 92 Ų | 92 | 109 Ų | 109 | 64% | 0.643 | 60% | 0.597 | S | S | * | * | trans | -55.5 | 137.5 | -174 | 51.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1000 | S | 29.7 | Very low | 43.6 | Very low | 102 Ų | 102 | 108.7 Ų | 108.7 | 71% | 0.713 | 59% | 0.591 | S | S | * | * | trans | 52.3 | 147.3 | 131.3 | 66.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1001 | S | 31.9 | Very low | 46.3 | Very low | 122 Ų | 122 | 102.2 Ų | 102.2 | 85% | 0.853 | 56% | 0.563 | S | S | * | * | trans | 73.3 | 67.2 | 159 | 64.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1002 | A | 34.2 | Very low | 49 | Very low | 91 Ų | 91 | 102.1 Ų | 102.1 | 75% | 0.752 | 56% | 0.555 | S | S | * | * | trans | -120.6 | 137.4 | 149.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | I1004 | A1002-I1004 PolarHBondContact O-N 3.23Š| ||
| 1003 | K | 40.3 | Very low | 51.6 | Low | 216 Ų | 216 | 96.6 Ų | 96.6 | 94% | 0.939 | 53% | 0.533 | S | S | * | . | trans | -83.8 | 99.7 | 176.4 | -76.7 | -173.7 | 175.6 | -176.8 | 0 | 109.6 | ||||
| 1004 | I | 49.7 | Very low | 54.2 | Low | 106 Ų | 106 | 92 Ų | 92 | 54% | 0.544 | 51% | 0.505 | S | S | . | . | trans | -70 | 129.9 | 177 | -54.8 | 173.9 | 0 | 0 | 0 | 109.4 | A1002 V1006 Y1084 | A1002-I1004 PolarHBondContact O-N 3.23Å; I1004-V1006 HydrophobicContact CG2-CG2 4.36Å; I1004-Y1084 HydrophobicContact CG2-CD1 4.15Å | ||
| 1005 | S | 57.5 | Low | 56.7 | Low | 31 Ų | 31 | 90.1 Ų | 90.1 | 22% | 0.217 | 51% | 0.509 | C | S | . | . | trans | -77.2 | 130.2 | 169.8 | 59.2 | 0 | 0 | 0 | 0 | 110.2 | Y1084 D1085 L1086 V1114 | S1005-Y1084 WeakPolarHBondContact O-CA 3.3Å; S1005-D1085 PolarHBondContact O-N 3.21Å; S1005-D1085 VanDerWaalsContact O-N 3.15Å; S1005-L1086 PolarHBondContact OG-N 3.29Å; S1005-L1086 PolarHBondContact OG-O 3.48Å; S1005-V1114 VanDerWaalsContact CB-CG1 3.44Å | ||
| 1006 | V | 64 | Low | 59.3 | Low | 57 Ų | 57 | 88.3 Ų | 88.3 | 35% | 0.345 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 136.9 | -179.3 | -167.2 | 0 | 0 | 0 | 0 | 110.1 | I1004 Q1082 L1083 Y1084 | I1004-V1006 HydrophobicContact CG2-CG2 4.36Å; V1006-Q1082 HydrophobicContact CG1-CB 3.83Å; V1006-Q1082 HydrophobicContact CG1-CG 4Å; V1006-L1083 CarbonylContact C-O 3.48Å; V1006-L1083 WeakPolarHBondContact CA-O 3.27Å; V1006-Y1084 HydrophobicContact CB-CD1 4.48Å; V1006-Y1084 HydrophobicContact CG1-CD1 4.09Å; V1006-Y1084 HydrophobicContact CG1-CE1 3.98Å; V1006-Y1084 HydrophobicContact CG2-CD1 3.7Å; V1006-Y1084 HydrophobicContact CG2-CE1 3.97Å |
| 1007 | K | 74.9 | Confident | 61.9 | Low | 30 Ų | 30 | 85.9 Ų | 85.9 | 13% | 0.13 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 124.5 | 171 | -72.2 | -59.5 | -168.2 | -171.7 | 0 | 110.2 | L946 D948 L1083 L1086 F1112 K1113 V1114 | L946-K1007 HydrophobicContact CD2-CD 4.34Å; D948-K1007 WeakPolarHBondContact OD1-CD 3.18Å; D948-K1007 WeakPolarHBondContact OD1-CE 3.44Å; D948-K1007 IonicContact OD1-NZ 2.69Å; D948-K1007 PolarHBondContact OD1-NZ 3.4Å; D948-K1007 IonicContact OD2-NZ 3.65Å; D948-K1007 PolarHBondContact OD2-NZ 2.82Å; K1007-L1083 PolarHBondContact N-O 3.34Å; K1007-L1083 PolarHBondContact O-N 3.27Å; K1007-L1086 HydrophobicContact CB-CD1 4.28Å; K1007-L1086 HydrophobicContact CG-CD1 4.39Å; K1007-F1112 HydrophobicContact CG-CD2 4.15Å; K1007-F1112 HydrophobicContact CG-CE2 4.43Å; K1007-K1113 WeakPolarHBondContact CE-O 3.45Å; K1007-V1114 HydrophobicContact CG-CG2 4.12Å |
| 1008 | Q | 81.2 | Confident | 64.6 | Low | 33 Ų | 33 | 76 Ų | 76 | 15% | 0.154 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 126.9 | 177.2 | -168.3 | -176 | 27.1 | 0 | 0 | 110.9 | L946 V947 S1080 V1081 Q1082 | L946-Q1008 WeakPolarHBondContact CA-O 3.44Å; V947-Q1008 HydrophobicContact CB-CB 4.2Å; V947-Q1008 PolarHBondContact N-O 3.25Å; V947-Q1008 WeakPolarHBondContact O-CB 3.2Å; V947-Q1008 PolarHBondContact O-N 3.46Å; V947-Q1008 VanDerWaalsContact O-N 3.1Å; Q1008-S1080 PolarHBondContact NE2-OG 2.67Å; Q1008-V1081 CarbonylContact C-O 3.57Å; Q1008-V1081 VanDerWaalsContact CA-O 3.31Å; Q1008-V1081 WeakPolarHBondContact CA-O 3.38Å; Q1008-Q1082 HydrophobicContact CB-CG 4.09Å; Q1008-Q1082 HydrophobicContact CG-CG 4.04Å |
| 1009 | L | 84.4 | Confident | 67.1 | Low | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 138.8 | 169.4 | -53.5 | -176.1 | 0 | 0 | 0 | 108.9 | L946 W1011 I1026 S1080 V1081 L1083 F1093 F1112 | L946-L1009 HydrophobicContact CD1-CD2 3.38Å; L946-L1009 HydrophobicContact CG-CD2 3.86Å; L1009-W1011 HydrophobicContact CB-CZ3 4.28Å; L1009-I1026 HydrophobicContact CD1-CD1 4.43Å; L1009-I1026 HydrophobicContact CD1-CG2 4.36Å; L1009-S1080 CarbonylContact O-C 3.33Å; L1009-S1080 WeakPolarHBondContact O-CA 3.32Å; L1009-S1080 WeakPolarHBondContact O-CB 2.99Å; L1009-V1081 HydrophobicContact CB-CG1 4.03Å; L1009-V1081 HydrophobicContact CD1-CG1 4.33Å; L1009-V1081 HydrophobicContact CG-CG1 4.36Å; L1009-V1081 PolarHBondContact N-O 3.45Å; L1009-V1081 PolarHBondContact O-N 3.48Å; L1009-L1083 HydrophobicContact CD1-CD1 3.79Å; L1009-L1083 HydrophobicContact CD1-CG 4.32Å; L1009-L1083 HydrophobicContact CG-CD1 4.09Å; L1009-L1083 HydrophobicContact CG-CG 4.37Å; L1009-F1093 HydrophobicContact CD1-CD2 3.85Å; L1009-F1093 HydrophobicContact CD1-CE1 4.48Å; L1009-F1093 HydrophobicContact CD1-CE2 3.71Å; L1009-F1093 HydrophobicContact CD1-CG 4.31Å; L1009-F1093 HydrophobicContact CD1-CZ 4.04Å; L1009-F1093 HydrophobicContact CD2-CE1 3.86Å; L1009-F1093 HydrophobicContact CD2-CE2 4.18Å; L1009-F1093 HydrophobicContact CD2-CZ 3.64Å; L1009-F1093 HydrophobicContact CG-CE2 4.46Å; L1009-F1093 HydrophobicContact CG-CZ 4.38Å; L1009-F1112 HydrophobicContact CD2-CD1 4.43Å; L1009-F1112 HydrophobicContact CD2-CE1 4.5Å |
| 1010 | R | 85.6 | Confident | 69.4 | Low | 95 Ų | 95 | 67.7 Ų | 67.7 | 36% | 0.358 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 146.3 | 170.4 | 70.3 | -176.8 | -173.3 | -166.1 | 2 | 113.1 | I944 Q945 F1078 V1079 | I944-R1010 CarbonylContact C-O 3.57Å; I944-R1010 WeakPolarHBondContact CA-O 3.45Å; Q945-R1010 HydrophobicContact CB-CG 3.87Å; Q945-R1010 PolarHBondContact N-O 3.26Å; Q945-R1010 PolarHBondContact O-N 3.24Å; Q945-R1010 VanDerWaalsContact OE1-CZ 3.26Å; R1010-F1078 HydrophobicContact CB-CD1 4.44Å; R1010-F1078 HydrophobicContact CG-CD1 4.19Å; R1010-V1079 CarbonylContact C-O 3.39Å; R1010-V1079 WeakPolarHBondContact CA-O 3.13Å; R1010-V1079 WeakPolarHBondContact CB-O 3.39Å |
| 1011 | W | 87.3 | Confident | 71.8 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 160.5 | -179.8 | 62.1 | 100.3 | 0 | 0 | 0 | 111.1 | I939 I944 L1009 Y1024 I1026 L1060 F1078 V1079 V1081 I1095 | I939-W1011 HydrophobicContact CG2-CB 4.37Å; I939-W1011 HydrophobicContact CG2-CG 4.35Å; I944-W1011 HydrophobicContact CG1-CB 4.08Å; L1009-W1011 HydrophobicContact CB-CZ3 4.28Å; W1011-Y1024 HydrophobicContact CZ2-CD1 4.11Å; W1011-Y1024 HydrophobicContact CZ2-CD2 4.12Å; W1011-Y1024 AromaticContact CZ2-CG 3.81Å; W1011-Y1024 HydrophobicContact CZ2-CG 3.81Å; W1011-Y1024 AromaticContact NE1-CD1 3.52Å; W1011-Y1024 AromaticContact NE1-CE1 3.48Å; W1011-I1026 HydrophobicContact CH2-CD1 3.77Å; W1011-I1026 HydrophobicContact CZ3-CD1 4.09Å; W1011-L1060 HydrophobicContact CH2-CD1 3.7Å; W1011-L1060 HydrophobicContact CZ2-CD1 4.29Å; W1011-F1078 CarbonylContact O-C 3.49Å; W1011-F1078 VanDerWaalsContact O-CA 3.28Å; W1011-F1078 WeakPolarHBondContact O-CA 3.34Å; W1011-V1079 HydrophobicContact CD2-CB 4.21Å; W1011-V1079 HydrophobicContact CD2-CG1 4.43Å; W1011-V1079 HydrophobicContact CH2-CB 4.45Å; W1011-V1079 HydrophobicContact CH2-CG1 3.67Å; W1011-V1079 HydrophobicContact CZ2-CB 3.92Å; W1011-V1079 HydrophobicContact CZ2-CG1 3.3Å; W1011-V1079 HydrophobicContact CZ3-CG1 4.38Å; W1011-V1079 PolarHBondContact N-O 3.11Å; W1011-V1079 PolarHBondContact O-N 3.13Å; W1011-V1081 HydrophobicContact CH2-CG1 4.28Å; W1011-V1081 HydrophobicContact CZ3-CG1 4.11Å; W1011-I1095 HydrophobicContact CB-CD1 4.41Å; W1011-I1095 HydrophobicContact CD2-CD1 3.54Å; W1011-I1095 HydrophobicContact CE3-CD1 3.43Å; W1011-I1095 VanDerWaalsContact CE3-CD1 3.43Å; W1011-I1095 HydrophobicContact CG-CD1 3.98Å; W1011-I1095 HydrophobicContact CH2-CD1 4.44Å; W1011-I1095 HydrophobicContact CZ2-CD1 4.49Å; W1011-I1095 HydrophobicContact CZ2-CG2 4.26Å; W1011-I1095 HydrophobicContact CZ3-CD1 3.94Å |
| 1012 | R | 85.8 | Confident | 73.9 | Confident | 99 Ų | 99 | 59.1 Ų | 59.1 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -82.2 | 136.9 | 172.5 | -70 | 178.3 | 175.2 | 160.3 | -6.5 | 109.8 | S943 D1076 F1078 | S943-R1012 PolarHBondContact OG-N 2.68Å; R1012-D1076 IonicContact CZ-OD1 2.82Å; R1012-D1076 IonicContact NE-OD1 2.7Å; R1012-D1076 IonicContact NH2-OD1 2.71Å; R1012-D1076 PolarHBondContact NH2-OD1 2.69Å; R1012-F1078 HydrophobicContact CG-CD1 4.02Å; R1012-F1078 HydrophobicContact CG-CD2 4.45Å; R1012-F1078 HydrophobicContact CG-CE1 3.75Å; R1012-F1078 HydrophobicContact CG-CE2 4.21Å; R1012-F1078 HydrophobicContact CG-CG 4.36Å; R1012-F1078 HydrophobicContact CG-CZ 3.85Å |
| 1013 | P | 83.4 | Confident | 76.1 | Confident | 38 Ų | 38 | 55.8 Ų | 55.8 | 25% | 0.247 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 160.8 | 174.5 | 33.4 | -35.7 | 0 | 0 | 0 | 111.1 | Y1024 R1077 V1079 | P1013-Y1024 VanDerWaalsContact CB-OH 3.24Å; P1013-Y1024 WeakPolarHBondContact CB-OH 3.29Å; P1013-R1077 WeakPolarHBondContact CD-O 3.12Å; P1013-V1079 HydrophobicContact CB-CG2 4.1Å; P1013-V1079 HydrophobicContact CG-CG2 4.43Å |
| 1014 | P | 83.6 | Confident | 78.4 | Confident | 15 Ų | 15 | 45.9 Ų | 45.9 | 10% | 0.097 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -56.8 | 138.7 | 168.8 | -20.8 | 32.5 | 0 | 0 | 0 | 111.1 | V936 D937 I939 P1017 | V936-P1014 WeakPolarHBondContact O-CB 3.17Å; D937-P1014 WeakPolarHBondContact O-CG 3.5Å; I939-P1014 HydrophobicContact CG1-CG 4.37Å; P1014-P1017 HydrophobicContact CB-CB 4.39Å |
| 1015 | T | 79.7 | Confident | 80.2 | Confident | 144 Ų | 144 | 44 Ų | 44 | 88% | 0.883 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -80.6 | -32.1 | -170.9 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1016 | Q | 81.2 | Confident | 81.6 | Confident | 124 Ų | 124 | 42.5 Ų | 42.5 | 58% | 0.579 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -140.1 | 75 | 174.9 | -67.3 | -173.7 | -10.3 | 0 | 0 | 108.7 | H878 V936 | H878-Q1016 PolarHBondContact CE1-O 3.12Å; H878-Q1016 VanDerWaalsContact CE1-O 3.23Å; V936-Q1016 WeakPolarHBondContact CB-O 3.39Å; V936-Q1016 WeakPolarHBondContact CG2-O 3.47Å |
| 1017 | P | 82.9 | Confident | 82.7 | Confident | 25 Ų | 25 | 41.8 Ų | 41.8 | 16% | 0.162 | 21% | 0.208 | C | C | . | . | trans | -65.5 | 162 | 176.1 | 29.8 | -36.1 | 0 | 0 | 0 | 111 | H878 D937 P1014 G1019 T1021 | H878-P1017 PolarHBondContact CE1-O 3.46Å; D937-P1017 WeakPolarHBondContact OD1-CA 3.49Å; D937-P1017 VanDerWaalsContact OD1-CB 3.25Å; D937-P1017 WeakPolarHBondContact OD1-CB 3.4Å; P1014-P1017 HydrophobicContact CB-CB 4.39Å; P1017-G1019 PolarHBondContact O-N 3.19Å; P1017-T1021 WeakPolarHBondContact CB-OG1 3.34Å | ||
| 1018 | N | 83.9 | Confident | 83.2 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -65.4 | 98.7 | 172.9 | -75 | -54.9 | 0 | 0 | 0 | 110.4 | H878 Y879 A932 S933 V936 D937 L1020 L1100 A1101 | H878-N1018 PolarHBondContact ND1-OD1 3.45Å; Y879-N1018 HydrophobicContact CD1-CB 4.27Å; Y879-N1018 HydrophobicContact CG-CB 3.98Å; A932-N1018 WeakPolarHBondContact CA-OD1 3.31Å; S933-N1018 PolarHBondContact N-OD1 3.42Å; S933-N1018 PolarHBondContact O-ND2 3.37Å; V936-N1018 WeakPolarHBondContact CG2-ND2 3.15Å; D937-N1018 PolarHBondContact OD1-N 3.5Å; D937-N1018 WeakPolarHBondContact OD2-CB 3.33Å; D937-N1018 PolarHBondContact OD2-ND2 3.19Å; N1018-L1020 VanDerWaalsContact C-N 3.27Å; N1018-L1020 PolarHBondContact O-N 3.39Å; N1018-L1100 PolarHBondContact O-N 3.24Å; N1018-A1101 HydrophobicContact CB-CB 3.54Å |
| 1019 | G | 79.2 | Confident | 83.3 | Confident | 27 Ų | 27 | 43.5 Ų | 43.5 | 28% | 0.278 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 73.4 | -73.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1017 | P1017-G1019 PolarHBondContact O-N 3.19Š|
| 1020 | L | 77.9 | Confident | 83 | Confident | 62 Ų | 62 | 47 Ų | 47 | 33% | 0.325 | 23% | 0.226 | S | C | . | . | trans | -162.1 | 139.6 | -174.8 | -179.1 | 67.9 | 0 | 0 | 0 | 110.5 | I682 N1018 L1022 S1099 L1100 | I682-L1020 HydrophobicContact CD1-CD2 3.45Å; I682-L1020 VanDerWaalsContact CD1-CD2 3.45Å; I682-L1020 HydrophobicContact CG1-CD2 4.37Å; N1018-L1020 VanDerWaalsContact C-N 3.27Å; N1018-L1020 PolarHBondContact O-N 3.39Å; L1020-L1022 PolarHBondContact O-N 2.71Å; L1020-S1099 CarbonylContact O-C 3.54Å; L1020-S1099 WeakPolarHBondContact O-CA 3.23Å; L1020-L1100 HydrophobicContact CB-CD1 3.69Å; L1020-L1100 HydrophobicContact CB-CG 4.12Å; L1020-L1100 PolarHBondContact O-N 3.06Å | ||
| 1021 | T | 79.3 | Confident | 82.6 | Confident | 11 Ų | 11 | 45.8 Ų | 45.8 | 7% | 0.067 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 119.4 | 166.3 | -46.6 | 0 | 0 | 0 | 0 | 110.1 | P1017 Y1024 A1062 V1098 | P1017-T1021 WeakPolarHBondContact CB-OG1 3.34Å; T1021-Y1024 HydrophobicContact CG2-CE1 3.99Å; T1021-Y1024 HydrophobicContact CG2-CE2 4.2Å; T1021-A1062 HydrophobicContact CG2-CB 4.31Å; T1021-A1062 VanDerWaalsContact O-CB 3.3Å; T1021-A1062 WeakPolarHBondContact O-CB 3.38Å; T1021-V1098 CarbonylContact C-O 3.49Å; T1021-V1098 WeakPolarHBondContact CA-O 3.02Å; T1021-V1098 WeakPolarHBondContact CG2-O 3.26Å |
| 1022 | L | 76.2 | Confident | 81.2 | Confident | 33 Ų | 33 | 50.6 Ų | 50.6 | 17% | 0.173 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -46.6 | 179 | -64.7 | 176 | 0 | 0 | 0 | 112.1 | I689 L1020 A1062 V1098 L1100 | I689-L1022 HydrophobicContact CG2-CD2 4.3Å; L1020-L1022 PolarHBondContact O-N 2.71Å; L1022-A1062 WeakPolarHBondContact O-CB 3.49Å; L1022-A1062 PolarHBondContact O-N 2.77Å; L1022-V1098 PolarHBondContact N-O 2.93Å; L1022-L1100 HydrophobicContact CD1-CD2 4.21Å; L1022-L1100 HydrophobicContact CD2-CD2 3.79Å; L1022-L1100 HydrophobicContact CD2-CG 4.2Å; L1022-L1100 HydrophobicContact CG-CD2 4.25Å; L1022-L1100 HydrophobicContact CG-CG 4.4Å |
| 1023 | R | 81.3 | Confident | 79.5 | Confident | 22 Ų | 22 | 49.4 Ų | 49.4 | 8% | 0.083 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 162.2 | -173.9 | 56.5 | -177.9 | 168 | -177.5 | -3.4 | 112.2 | S697 L1060 V1098 | S697-R1023 PolarHBondContact OG-NH2 2.95Å; R1023-L1060 CarbonylContact C-O 3.52Å; R1023-L1060 WeakPolarHBondContact CA-O 3.39Å; R1023-L1060 WeakPolarHBondContact CB-O 3.16Å; R1023-V1098 HydrophobicContact CG-CB 3.74Å; R1023-V1098 HydrophobicContact CG-CG1 4.29Å; R1023-V1098 HydrophobicContact CG-CG2 3.95Å; R1023-V1098 PolarHBondContact N-O 2.84Å; R1023-V1098 PolarHBondContact O-N 3.44Å |
| 1024 | Y | 88.1 | Confident | 77.1 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 3% | 0.027 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 136.4 | 168.4 | -59.8 | -85.2 | 0 | 0 | 0 | 109.7 | I939 W1011 P1013 T1021 C1059 L1060 A1062 L1065 V1079 I1095 M1096 | I939-Y1024 HydrophobicContact CD1-CD1 3.78Å; I939-Y1024 HydrophobicContact CD1-CE1 3.97Å; W1011-Y1024 HydrophobicContact CZ2-CD1 4.11Å; W1011-Y1024 HydrophobicContact CZ2-CD2 4.12Å; W1011-Y1024 AromaticContact CZ2-CG 3.81Å; W1011-Y1024 HydrophobicContact CZ2-CG 3.81Å; W1011-Y1024 AromaticContact NE1-CD1 3.52Å; W1011-Y1024 AromaticContact NE1-CE1 3.48Å; P1013-Y1024 VanDerWaalsContact CB-OH 3.24Å; P1013-Y1024 WeakPolarHBondContact CB-OH 3.29Å; T1021-Y1024 HydrophobicContact CG2-CE1 3.99Å; T1021-Y1024 HydrophobicContact CG2-CE2 4.2Å; Y1024-C1059 CarbonylContact O-C 3.55Å; Y1024-C1059 WeakPolarHBondContact O-CA 3.3Å; Y1024-L1060 PolarHBondContact N-O 2.97Å; Y1024-L1060 PolarHBondContact O-N 3.32Å; Y1024-A1062 HydrophobicContact CD2-CB 4.22Å; Y1024-A1062 HydrophobicContact CE2-CB 3.73Å; Y1024-L1065 HydrophobicContact CE2-CD1 4.34Å; Y1024-V1079 HydrophobicContact CD2-CG1 4.35Å; Y1024-V1079 HydrophobicContact CE2-CG1 4.2Å; Y1024-V1079 HydrophobicContact CE2-CG2 4.01Å; Y1024-I1095 HydrophobicContact CD1-CG2 4.47Å; Y1024-M1096 CarbonylContact C-O 3.51Å; Y1024-M1096 WeakPolarHBondContact CA-O 3.48Å |
| 1025 | W | 87.2 | Confident | 74.6 | Confident | 67 Ų | 67 | 61.1 Ų | 61.1 | 25% | 0.254 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 133.6 | 163.6 | -72.8 | 110.8 | 0 | 0 | 0 | 109.2 | L1057 I1058 C1059 I1095 M1096 V1098 W1106 | W1025-L1057 HydrophobicContact CD2-CD2 4.12Å; W1025-L1057 HydrophobicContact CE3-CB 4.05Å; W1025-L1057 HydrophobicContact CE3-CD2 3.62Å; W1025-L1057 HydrophobicContact CE3-CG 4.44Å; W1025-L1057 HydrophobicContact CZ3-CB 4.11Å; W1025-L1057 HydrophobicContact CZ3-CD2 4.11Å; W1025-I1058 CarbonylContact C-O 3.59Å; W1025-I1058 WeakPolarHBondContact CA-O 3.09Å; W1025-C1059 HydrophobicContact CD2-CB 4.23Å; W1025-C1059 HydrophobicContact CE3-CB 3.68Å; W1025-C1059 HydrophobicContact CH2-CB 3.89Å; W1025-C1059 HydrophobicContact CZ2-CB 4.38Å; W1025-C1059 HydrophobicContact CZ3-CB 3.52Å; W1025-I1095 CarbonylContact O-C 3.51Å; W1025-I1095 WeakPolarHBondContact O-CA 3.24Å; W1025-M1096 HydrophobicContact CB-CB 4.32Å; W1025-M1096 PolarHBondContact N-O 3.07Å; W1025-M1096 PolarHBondContact O-N 3.49Å; W1025-V1098 VanDerWaalsContact CD1-CG2 3.5Å; W1025-W1106 HydrophobicContact CB-CH2 3.72Å; W1025-W1106 HydrophobicContact CB-CZ3 4.21Å |
| 1026 | I | 86.8 | Confident | 72.4 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.8 | 169.1 | -59.2 | 173.8 | 0 | 0 | 0 | 106.8 | L1009 W1011 L1057 I1058 L1060 V1081 F1093 Q1094 I1095 | L1009-I1026 HydrophobicContact CD1-CD1 4.43Å; L1009-I1026 HydrophobicContact CD1-CG2 4.36Å; W1011-I1026 HydrophobicContact CH2-CD1 3.77Å; W1011-I1026 HydrophobicContact CZ3-CD1 4.09Å; I1026-L1057 CarbonylContact O-C 3.6Å; I1026-L1057 WeakPolarHBondContact O-CA 3.22Å; I1026-I1058 HydrophobicContact CB-CB 4.46Å; I1026-I1058 PolarHBondContact N-O 3.08Å; I1026-I1058 PolarHBondContact O-N 3.25Å; I1026-L1060 HydrophobicContact CD1-CD1 3.62Å; I1026-L1060 HydrophobicContact CG1-CD1 4.41Å; I1026-V1081 HydrophobicContact CD1-CG1 3.55Å; I1026-F1093 HydrophobicContact CG2-CD2 4.41Å; I1026-Q1094 CarbonylContact C-O 3.59Å; I1026-Q1094 WeakPolarHBondContact CA-O 3.46Å; I1026-I1095 HydrophobicContact CG1-CD1 4.49Å; I1026-I1095 HydrophobicContact CG1-CG1 4.16Å; I1026-I1095 HydrophobicContact CG1-CG2 4.04Å |
| 1027 | R | 87.3 | Confident | 70.1 | Confident | 42 Ų | 42 | 59.8 Ų | 59.8 | 16% | 0.158 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 129.9 | 171.1 | 75.1 | 178.8 | -175.9 | 173.2 | 2.3 | 109.4 | E1052 W1055 S1056 L1057 F1093 Q1094 W1106 | R1027-E1052 IonicContact NH1-OE1 2.9Å; R1027-E1052 PolarHBondContact NH1-OE1 2.75Å; R1027-W1055 HydrophobicContact CB-CB 4Å; R1027-W1055 HydrophobicContact CB-CD2 4.38Å; R1027-W1055 HydrophobicContact CB-CE3 4.2Å; R1027-W1055 HydrophobicContact CB-CG 4.35Å; R1027-W1055 HydrophobicContact CG-CB 4.47Å; R1027-W1055 HydrophobicContact CG-CD2 3.96Å; R1027-W1055 HydrophobicContact CG-CE3 3.8Å; R1027-W1055 HydrophobicContact CG-CG 4.28Å; R1027-W1055 HydrophobicContact CG-CZ3 4.3Å; R1027-S1056 CarbonylContact C-O 3.38Å; R1027-S1056 WeakPolarHBondContact CA-O 3.44Å; R1027-L1057 HydrophobicContact CB-CD1 4.4Å; R1027-L1057 HydrophobicContact CB-CG 4.01Å; R1027-F1093 CarbonylContact O-C 3.54Å; R1027-F1093 WeakPolarHBondContact O-CA 3.48Å; R1027-F1093 WeakPolarHBondContact O-CB 3.24Å; R1027-Q1094 HydrophobicContact CG-CB 4.08Å; R1027-Q1094 VanDerWaalsContact CZ-OE1 3.29Å; R1027-Q1094 PolarHBondContact N-O 3.4Å; R1027-Q1094 PolarHBondContact O-N 2.96Å; R1027-W1106 HydrophobicContact CB-CH2 3.68Å; R1027-W1106 HydrophobicContact CB-CZ2 4.37Å; R1027-W1106 HydrophobicContact CB-CZ3 3.87Å; R1027-W1106 HydrophobicContact CG-CD2 4.42Å; R1027-W1106 HydrophobicContact CG-CE3 3.94Å; R1027-W1106 HydrophobicContact CG-CH2 3.74Å; R1027-W1106 HydrophobicContact CG-CZ2 4.21Å; R1027-W1106 HydrophobicContact CG-CZ3 3.59Å |
| 1028 | Y | 85.3 | Confident | 67.8 | Low | 44 Ų | 44 | 65.8 Ų | 65.8 | 17% | 0.173 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 149.1 | -179 | 72.9 | -77.2 | 0 | 0 | 0 | 111.7 | S1056 I1058 L1086 Y1091 E1092 | Y1028-S1056 VanDerWaalsContact CD1-O 3.23Å; Y1028-S1056 WeakPolarHBondContact CD1-O 3.36Å; Y1028-S1056 VanDerWaalsContact CZ-CB 3.4Å; Y1028-S1056 PolarHBondContact N-O 3.4Å; Y1028-S1056 WeakPolarHBondContact O-CB 3.28Å; Y1028-S1056 PolarHBondContact O-N 2.95Å; Y1028-I1058 HydrophobicContact CD1-CD1 4.16Å; Y1028-I1058 HydrophobicContact CE1-CD1 3.5Å; Y1028-I1058 HydrophobicContact CE1-CG1 3.9Å; Y1028-L1086 HydrophobicContact CD2-CD2 4.01Å; Y1028-L1086 HydrophobicContact CE2-CD2 3.53Å; Y1028-Y1091 AromaticContact CD2-CD1 3.81Å; Y1028-Y1091 HydrophobicContact CD2-CD1 3.81Å; Y1028-Y1091 HydrophobicContact CD2-CE1 4.06Å; Y1028-Y1091 HydrophobicContact CE2-CD1 4.34Å; Y1028-Y1091 HydrophobicContact CE2-CE1 4.12Å; Y1028-E1092 CarbonylContact C-O 3.49Å; Y1028-E1092 WeakPolarHBondContact CA-O 3.3Å |
| 1029 | R | 83.5 | Confident | 65.2 | Low | 55 Ų | 55 | 75.1 Ų | 75.1 | 21% | 0.208 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 153.1 | 177.9 | 67.2 | -177 | 179.8 | 179.6 | -1 | 112.6 | R1053 W1055 Y1091 E1092 | R1029-R1053 WeakPolarHBondContact CD-O 3.42Å; R1029-R1053 PolarHBondContact NH1-O 2.64Å; R1029-W1055 HydrophobicContact CB-CD2 4.38Å; R1029-W1055 HydrophobicContact CB-CE3 4.04Å; R1029-W1055 HydrophobicContact CG-CD2 4.1Å; R1029-W1055 HydrophobicContact CG-CE3 3.74Å; R1029-W1055 HydrophobicContact CG-CH2 4.3Å; R1029-W1055 HydrophobicContact CG-CZ3 3.85Å; R1029-Y1091 CarbonylContact O-C 3.55Å; R1029-Y1091 VanDerWaalsContact O-CA 3.22Å; R1029-Y1091 WeakPolarHBondContact O-CA 3.41Å; R1029-Y1091 WeakPolarHBondContact O-CD1 3.41Å; R1029-E1092 HydrophobicContact CG-CG 3.79Å; R1029-E1092 IonicContact CZ-OE1 2.9Å; R1029-E1092 VanDerWaalsContact CZ-OE1 3.24Å; R1029-E1092 PolarHBondContact N-O 2.83Å; R1029-E1092 IonicContact NE-OE1 3.57Å; R1029-E1092 PolarHBondContact NE-OE1 3.35Å; R1029-E1092 IonicContact NH2-OE1 3.65Å; R1029-E1092 PolarHBondContact NH2-OE1 2.67Å; R1029-E1092 PolarHBondContact O-N 3.19Å |
| 1030 | R | 78.2 | Confident | 63 | Low | 74 Ų | 74 | 80 Ų | 80 | 28% | 0.279 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 139.3 | 177.6 | -155.6 | 170.5 | 104.4 | 153.1 | 3.1 | 109.9 | D1032 R1087 S1088 V1090 Y1091 D1116 | R1030-D1032 IonicContact CZ-OD1 3.13Å; R1030-D1032 IonicContact CZ-OD2 3.88Å; R1030-D1032 VanDerWaalsContact NE-CG 3.29Å; R1030-D1032 IonicContact NE-OD1 2.7Å; R1030-D1032 PolarHBondContact NE-OD1 2.98Å; R1030-D1032 IonicContact NE-OD2 2.69Å; R1030-D1032 PolarHBondContact NE-OD2 2.78Å; R1030-D1032 IonicContact NH2-OD1 3.18Å; R1030-D1032 PolarHBondContact NH2-OD1 3.45Å; R1030-D1032 IonicContact NH2-OD2 3.23Å; R1030-R1087 VanDerWaalsContact NH1-CB 3.29Å; R1030-S1088 WeakPolarHBondContact CD-O 3.44Å; R1030-S1088 PolarHBondContact NE-O 3.05Å; R1030-S1088 VanDerWaalsContact NE-O 3.15Å; R1030-S1088 PolarHBondContact NH1-O 2.68Å; R1030-V1090 CarbonylContact C-O 3.49Å; R1030-Y1091 HydrophobicContact CB-CD1 4.11Å; R1030-Y1091 HydrophobicContact CB-CE1 3.74Å; R1030-Y1091 HydrophobicContact CG-CD1 4.44Å; R1030-Y1091 HydrophobicContact CG-CE1 3.98Å; R1030-Y1091 HydrophobicContact CG-CE2 4.11Å; R1030-D1116 IonicContact NH1-OD2 2.84Å; R1030-D1116 PolarHBondContact NH1-OD2 2.89Å |
| 1031 | L | 76.3 | Confident | 60.8 | Low | 69 Ų | 69 | 82 Ų | 82 | 36% | 0.361 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 90.7 | 175.5 | -62.9 | 177.9 | 0 | 0 | 0 | 108.3 | V1090 E1092 | L1031-V1090 HydrophobicContact CB-CB 4.36Å; L1031-V1090 HydrophobicContact CD1-CG1 4.09Å; L1031-V1090 PolarHBondContact N-O 2.8Å; L1031-E1092 HydrophobicContact CD1-CB 4.46Å; L1031-E1092 HydrophobicContact CD1-CG 4.5Å; L1031-E1092 HydrophobicContact CD2-CG 4.3Å; L1031-E1092 HydrophobicContact CG-CG 4.46Å |
| 1032 | D | 58.9 | Low | 58.6 | Low | 100 Ų | 100 | 86.5 Ų | 86.5 | 54% | 0.535 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 144.1 | -180 | -78.4 | -58.2 | 0 | 0 | 0 | 112.7 | R1030 | R1030-D1032 IonicContact CZ-OD1 3.13Å; R1030-D1032 IonicContact CZ-OD2 3.88Å; R1030-D1032 VanDerWaalsContact NE-CG 3.29Å; R1030-D1032 IonicContact NE-OD1 2.7Å; R1030-D1032 PolarHBondContact NE-OD1 2.98Å; R1030-D1032 IonicContact NE-OD2 2.69Å; R1030-D1032 PolarHBondContact NE-OD2 2.78Å; R1030-D1032 IonicContact NH2-OD1 3.18Å; R1030-D1032 PolarHBondContact NH2-OD1 3.45Å; R1030-D1032 IonicContact NH2-OD2 3.23Å |
| 1033 | G | 49.7 | Very low | 56.8 | Low | 75 Ų | 75 | 93.2 Ų | 93.2 | 77% | 0.773 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 146.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1034 | E | 33.9 | Very low | 54.4 | Low | 191 Ų | 191 | 99.5 Ų | 99.5 | 89% | 0.893 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -74 | 138.4 | -165.9 | -57.8 | -177.9 | 109 | 0 | 0 | 115.3 | ||
| 1035 | S | 30.8 | Very low | 51.6 | Low | 108 Ų | 108 | 104.3 Ų | 104.3 | 76% | 0.755 | 58% | 0.579 | S | S | * | * | trans | 163 | 146.8 | 150.9 | 40.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1036 | I | 33 | Very low | 48.8 | Very low | 151 Ų | 151 | 108.2 Ų | 108.2 | 77% | 0.774 | 61% | 0.605 | S | S | * | * | cis | -154.8 | 133.2 | 0.3 | -118.9 | 163 | 0 | 0 | 0 | 111.7 | ||||
| 1037 | S | 31.7 | Very low | 46.4 | Very low | 89 Ų | 89 | 116.1 Ų | 116.1 | 62% | 0.622 | 65% | 0.647 | S | S | * | * | trans | 71.2 | 150.3 | 147.8 | 79.4 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 1038 | N | 36.3 | Very low | 43.7 | Very low | 151 Ų | 151 | 116.9 Ų | 116.9 | 81% | 0.807 | 67% | 0.668 | S | S | * | * | trans | 98.1 | 100 | 144.2 | -62.8 | -25.6 | 0 | 0 | 0 | 123.9 | ||||
| 1039 | K | 27.6 | Very low | 41.1 | Very low | 200 Ų | 200 | 122.7 Ų | 122.7 | 87% | 0.87 | 70% | 0.702 | S | S | * | * | trans | -8.6 | 162 | 143.7 | -76.8 | -179.3 | 178.3 | 179.7 | 0 | 120.4 | ||||
| 1040 | P | 33.2 | Very low | 38.7 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | cis | -134.6 | -138.4 | 27.8 | 43.6 | -24.5 | 0 | 0 | 0 | 116.1 | ||||
| 1041 | S | 31.6 | Very low | 36.7 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -124.1 | 174.1 | -149.6 | 55.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1042 | S | 34.3 | Very low | 35.1 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | 71.7 | 104.9 | 156.7 | 57.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1043 | I | 37.1 | Very low | 34.6 | Very low | 173 Ų | 173 | 141.9 Ų | 141.9 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | -161.5 | 151.8 | 129.1 | -93.4 | 149.2 | 0 | 0 | 0 | 107.1 | |||||
| 1044 | L | 31 | Very low | 35 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -121.4 | 169.8 | 179.7 | -87.7 | 168.5 | 0 | 0 | 0 | 109.6 | ||||
| 1045 | P | 30.9 | Very low | 36.9 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | cis | -124.6 | 168.5 | 3.3 | 40.5 | -26.7 | 0 | 0 | 0 | 115.2 | ||||
| 1046 | N | 28.5 | Very low | 39 | Very low | 149 Ų | 149 | 135.3 Ų | 135.3 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | trans | 34.6 | 136.1 | 157.5 | -57.2 | 14.2 | 0 | 0 | 0 | 119.3 | ||||
| 1047 | D | 35.1 | Very low | 41.1 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 89% | 0.888 | 72% | 0.715 | S | S | * | * | cis | -157.2 | 135.3 | 20.1 | -164.3 | -4 | 0 | 0 | 0 | 107.5 | ||||
| 1048 | G | 30.1 | Very low | 43.3 | Very low | 58 Ų | 58 | 130.4 Ų | 130.4 | 60% | 0.598 | 70% | 0.696 | S | S | * | * | trans | 174.4 | 122.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | H1050 | G1048-H1050 PolarHBondContact O-N 2.82Š| ||
| 1049 | N | 31.8 | Very low | 45.4 | Very low | 166 Ų | 166 | 124.3 Ų | 124.3 | 89% | 0.888 | 67% | 0.665 | S | S | * | * | trans | -85.7 | 99.9 | 160 | -95.2 | -13.7 | 0 | 0 | 0 | 110.4 | E1051 | N1049-E1051 VanDerWaalsContact C-N 3.3Å; N1049-E1051 PolarHBondContact O-N 2.6Å | ||
| 1050 | H | 31.8 | Very low | 47.8 | Very low | 192 Ų | 192 | 116.1 Ų | 116.1 | 89% | 0.889 | 63% | 0.63 | S | S | * | * | trans | -71.5 | 75.3 | 172.2 | -84.7 | -82.2 | 0 | 0 | 0 | 112.4 | G1048 | G1048-H1050 PolarHBondContact O-N 2.82Š| ||
| 1051 | E | 38 | Very low | 49.8 | Very low | 162 Ų | 162 | 111.6 Ų | 111.6 | 76% | 0.757 | 60% | 0.599 | S | S | * | * | trans | -117.2 | -5.9 | 169.6 | -79.3 | -147.6 | 130.9 | 0 | 0 | 115.4 | N1049 R1053 | N1049-E1051 VanDerWaalsContact C-N 3.3Å; N1049-E1051 PolarHBondContact O-N 2.6Å; E1051-R1053 PolarHBondContact O-N 3.34Å | ||
| 1052 | E | 42.5 | Very low | 51.6 | Low | 142 Ų | 142 | 107.6 Ų | 107.6 | 66% | 0.664 | 57% | 0.572 | S | S | * | * | trans | -74.2 | 65.6 | 167.2 | -66.7 | -145.6 | 129 | 0 | 0 | 111.4 | R1027 I1054 | R1027-E1052 IonicContact NH1-OE1 2.9Å; R1027-E1052 PolarHBondContact NH1-OE1 2.75Å; E1052-I1054 VanDerWaalsContact C-N 3.27Å; E1052-I1054 PolarHBondContact O-N 3.38Å | ||
| 1053 | R | 47.4 | Very low | 52.8 | Low | 205 Ų | 205 | 106 Ų | 106 | 77% | 0.774 | 55% | 0.554 | S | S | * | * | trans | -60.5 | 92.9 | 159.4 | -74.7 | -173.7 | 177.8 | -175.9 | 1 | 108.5 | R1029 E1051 W1055 | R1029-R1053 WeakPolarHBondContact CD-O 3.42Å; R1029-R1053 PolarHBondContact NH1-O 2.64Å; E1051-R1053 PolarHBondContact O-N 3.34Å; R1053-W1055 PolarHBondContact O-N 3.02Å | ||
| 1054 | I | 58 | Low | 53.3 | Low | 150 Ų | 150 | 103.3 Ų | 103.3 | 77% | 0.769 | 54% | 0.542 | S | S | * | . | trans | 21.5 | 89.8 | 166.7 | -48.4 | 179.1 | 0 | 0 | 0 | 113.6 | E1052 | E1052-I1054 VanDerWaalsContact C-N 3.27Å; E1052-I1054 PolarHBondContact O-N 3.38Å | ||
| 1055 | W | 74.2 | Confident | 54.2 | Low | 33 Ų | 33 | 98.3 Ų | 98.3 | 13% | 0.125 | 52% | 0.516 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 127.8 | 160.3 | -61.6 | 92.9 | 0 | 0 | 0 | 109.5 | R1027 R1029 R1053 E1092 | R1027-W1055 HydrophobicContact CB-CB 4Å; R1027-W1055 HydrophobicContact CB-CD2 4.38Å; R1027-W1055 HydrophobicContact CB-CE3 4.2Å; R1027-W1055 HydrophobicContact CB-CG 4.35Å; R1027-W1055 HydrophobicContact CG-CB 4.47Å; R1027-W1055 HydrophobicContact CG-CD2 3.96Å; R1027-W1055 HydrophobicContact CG-CE3 3.8Å; R1027-W1055 HydrophobicContact CG-CG 4.28Å; R1027-W1055 HydrophobicContact CG-CZ3 4.3Å; R1029-W1055 HydrophobicContact CB-CD2 4.38Å; R1029-W1055 HydrophobicContact CB-CE3 4.04Å; R1029-W1055 HydrophobicContact CG-CD2 4.1Å; R1029-W1055 HydrophobicContact CG-CE3 3.74Å; R1029-W1055 HydrophobicContact CG-CH2 4.3Å; R1029-W1055 HydrophobicContact CG-CZ3 3.85Å; R1053-W1055 PolarHBondContact O-N 3.02Å; W1055-E1092 HydrophobicContact CH2-CG 3.91Å; W1055-E1092 HydrophobicContact CZ3-CG 4.01Å; W1055-E1092 WeakPolarHBondContact CZ3-O 3.36Å |
| 1056 | S | 74.3 | Confident | 54.5 | Low | 53 Ų | 53 | 97.9 Ų | 97.9 | 37% | 0.371 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 131.1 | 162.5 | -64.7 | 0 | 0 | 0 | 0 | 108.9 | R1027 Y1028 | R1027-S1056 CarbonylContact C-O 3.38Å; R1027-S1056 WeakPolarHBondContact CA-O 3.44Å; Y1028-S1056 VanDerWaalsContact CD1-O 3.23Å; Y1028-S1056 WeakPolarHBondContact CD1-O 3.36Å; Y1028-S1056 VanDerWaalsContact CZ-CB 3.4Å; Y1028-S1056 PolarHBondContact N-O 3.4Å; Y1028-S1056 WeakPolarHBondContact O-CB 3.28Å; Y1028-S1056 PolarHBondContact O-N 2.95Å |
| 1057 | L | 77 | Confident | 54.9 | Low | 94 Ų | 94 | 95.6 Ų | 95.6 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 141.6 | 172.5 | -78.9 | 91.8 | 0 | 0 | 0 | 111.9 | W1025 I1026 R1027 W1106 | W1025-L1057 HydrophobicContact CD2-CD2 4.12Å; W1025-L1057 HydrophobicContact CE3-CB 4.05Å; W1025-L1057 HydrophobicContact CE3-CD2 3.62Å; W1025-L1057 HydrophobicContact CE3-CG 4.44Å; W1025-L1057 HydrophobicContact CZ3-CB 4.11Å; W1025-L1057 HydrophobicContact CZ3-CD2 4.11Å; I1026-L1057 CarbonylContact O-C 3.6Å; I1026-L1057 WeakPolarHBondContact O-CA 3.22Å; R1027-L1057 HydrophobicContact CB-CD1 4.4Å; R1027-L1057 HydrophobicContact CB-CG 4.01Å; L1057-W1106 HydrophobicContact CD2-CH2 4.16Å; L1057-W1106 HydrophobicContact CD2-CZ2 4.44Å |
| 1058 | I | 79.4 | Confident | 54.7 | Low | 43 Ų | 43 | 95.9 Ų | 95.9 | 22% | 0.221 | 51% | 0.505 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 137.2 | 165 | -75.5 | 163.1 | 0 | 0 | 0 | 107.3 | W1025 I1026 Y1028 L1060 L1083 | W1025-I1058 CarbonylContact C-O 3.59Å; W1025-I1058 WeakPolarHBondContact CA-O 3.09Å; I1026-I1058 HydrophobicContact CB-CB 4.46Å; I1026-I1058 PolarHBondContact N-O 3.08Å; I1026-I1058 PolarHBondContact O-N 3.25Å; Y1028-I1058 HydrophobicContact CD1-CD1 4.16Å; Y1028-I1058 HydrophobicContact CE1-CD1 3.5Å; Y1028-I1058 HydrophobicContact CE1-CG1 3.9Å; I1058-L1060 HydrophobicContact CG2-CD2 4.43Å; I1058-L1060 HydrophobicContact CG2-CG 4.16Å; I1058-L1083 HydrophobicContact CD1-CD2 3.41Å; I1058-L1083 VanDerWaalsContact CD1-CD2 3.41Å |
| 1059 | C | 80.5 | Confident | 54.8 | Low | 23 Ų | 23 | 99.3 Ų | 99.3 | 16% | 0.155 | 51% | 0.508 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 144.3 | 168.7 | 169.3 | 0 | 0 | 0 | 0 | 109.2 | C691 Y1024 W1025 | C691-C1059 WeakPolarHBondContact CA-SG 3.45Å; C691-C1059 HydrophobicContact CB-CB 3.5Å; C691-C1059 WeakPolarHBondContact CB-SG 3.47Å; C691-C1059 WeakPolarHBondContact SG-CB 3.5Å; C691-C1059 PolarHBondContact SG-O 3Å; C691-C1059 VanDerWaalsContact SG-O 3.37Å; C691-C1059 CovalentContact SG-SG 2.03Å; C691-C1059 PolarHBondContact SG-SG 2.81Å; Y1024-C1059 CarbonylContact O-C 3.55Å; Y1024-C1059 WeakPolarHBondContact O-CA 3.3Å; W1025-C1059 HydrophobicContact CD2-CB 4.23Å; W1025-C1059 HydrophobicContact CE3-CB 3.68Å; W1025-C1059 HydrophobicContact CH2-CB 3.89Å; W1025-C1059 HydrophobicContact CZ2-CB 4.38Å; W1025-C1059 HydrophobicContact CZ3-CB 3.52Å |
| 1060 | L | 77.5 | Confident | 54.6 | Low | 28 Ų | 28 | 98.5 Ų | 98.5 | 15% | 0.147 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 118.2 | 175.4 | -66.8 | 161.9 | 0 | 0 | 0 | 109.9 | C691 W1011 R1023 Y1024 I1026 I1058 A1062 V1081 | C691-L1060 PolarHBondContact SG-N 3.44Å; C691-L1060 VanDerWaalsContact SG-N 3.35Å; W1011-L1060 HydrophobicContact CH2-CD1 3.7Å; W1011-L1060 HydrophobicContact CZ2-CD1 4.29Å; R1023-L1060 CarbonylContact C-O 3.52Å; R1023-L1060 WeakPolarHBondContact CA-O 3.39Å; R1023-L1060 WeakPolarHBondContact CB-O 3.16Å; Y1024-L1060 PolarHBondContact N-O 2.97Å; Y1024-L1060 PolarHBondContact O-N 3.32Å; I1026-L1060 HydrophobicContact CD1-CD1 3.62Å; I1026-L1060 HydrophobicContact CG1-CD1 4.41Å; I1058-L1060 HydrophobicContact CG2-CD2 4.43Å; I1058-L1060 HydrophobicContact CG2-CG 4.16Å; L1060-A1062 PolarHBondContact O-N 2.89Å; L1060-V1081 HydrophobicContact CD1-CB 3.68Å; L1060-V1081 HydrophobicContact CD1-CG1 4.04Å; L1060-V1081 HydrophobicContact CD1-CG2 3.99Å; L1060-V1081 HydrophobicContact CD2-CB 4.19Å; L1060-V1081 HydrophobicContact CD2-CG2 3.73Å; L1060-V1081 HydrophobicContact CG-CG2 4.42Å |
| 1061 | N | 74 | Confident | 54.5 | Low | 34 Ų | 34 | 96.8 Ų | 96.8 | 18% | 0.182 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 117.9 | 171.1 | -65.3 | -4.9 | 0 | 0 | 0 | 108.8 | S690 C691 I1063 N1064 | S690-N1061 WeakPolarHBondContact CA-OD1 3.28Å; C691-N1061 PolarHBondContact N-OD1 2.77Å; C691-N1061 PolarHBondContact SG-OD1 3.42Å; N1061-I1063 PolarHBondContact O-N 3.4Å; N1061-N1064 HydrophobicContact CB-CB 4.36Å; N1061-N1064 PolarHBondContact O-N 2.89Å |
| 1062 | A | 70.3 | Confident | 54.2 | Low | 20 Ų | 20 | 96.4 Ų | 96.4 | 17% | 0.165 | 50% | 0.499 | C | S | . | . | G | 310 helix | trans | -67.7 | -23.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1021 L1022 Y1024 L1060 | T1021-A1062 HydrophobicContact CG2-CB 4.31Å; T1021-A1062 VanDerWaalsContact O-CB 3.3Å; T1021-A1062 WeakPolarHBondContact O-CB 3.38Å; L1022-A1062 WeakPolarHBondContact O-CB 3.49Å; L1022-A1062 PolarHBondContact O-N 2.77Å; Y1024-A1062 HydrophobicContact CD2-CB 4.22Å; Y1024-A1062 HydrophobicContact CE2-CB 3.73Å; L1060-A1062 PolarHBondContact O-N 2.89Å |
| 1063 | I | 58.6 | Low | 53.8 | Low | 72 Ų | 72 | 95.6 Ų | 95.6 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -72.9 | -26 | -177.6 | -58.4 | 176.6 | 0 | 0 | 0 | 112.6 | I682 I689 N1061 L1065 | I682-I1063 HydrophobicContact CD1-CD1 3.72Å; I682-I1063 HydrophobicContact CD1-CG1 4.32Å; I682-I1063 HydrophobicContact CG2-CD1 4.1Å; I689-I1063 HydrophobicContact CG2-CD1 3.54Å; N1061-I1063 PolarHBondContact O-N 3.4Å; I1063-L1065 VanDerWaalsContact C-N 3.34Å; I1063-L1065 PolarHBondContact O-N 3.37Å |
| 1064 | N | 48 | Very low | 53.2 | Low | 117 Ų | 117 | 91.2 Ų | 91.2 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -92.1 | 9.4 | -175.5 | -70.2 | 7.7 | 0 | 0 | 0 | 113.6 | N1061 | N1061-N1064 HydrophobicContact CB-CB 4.36Å; N1061-N1064 PolarHBondContact O-N 2.89Å |
| 1065 | L | 49.7 | Very low | 52.5 | Low | 51 Ų | 51 | 89 Ų | 89 | 27% | 0.267 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -86.1 | 120.1 | 178.1 | -72.2 | 158 | 0 | 0 | 0 | 110 | Y1024 I1063 V1067 V1079 | Y1024-L1065 HydrophobicContact CE2-CD1 4.34Å; I1063-L1065 VanDerWaalsContact C-N 3.34Å; I1063-L1065 PolarHBondContact O-N 3.37Å; L1065-V1067 PolarHBondContact O-N 2.86Å; L1065-V1079 HydrophobicContact CD1-CB 4.29Å; L1065-V1079 HydrophobicContact CD1-CG1 3.48Å; L1065-V1079 VanDerWaalsContact CD1-CG1 3.48Å; L1065-V1079 HydrophobicContact CD1-CG2 3.96Å; L1065-V1079 HydrophobicContact CD2-CG1 4.02Å; L1065-V1079 HydrophobicContact CG-CG1 4.42Å |
| 1066 | P | 38.7 | Very low | 51.3 | Low | 98 Ų | 98 | 92.3 Ų | 92.3 | 64% | 0.636 | 51% | 0.514 | S | S | * | . | trans | -69.9 | 103.4 | -176.7 | 27.6 | -34.4 | 0 | 0 | 0 | 111 | M979 L1068 | M979-P1066 HydrophobicContact CE-CG 4.34Å; P1066-L1068 PolarHBondContact O-N 3.49Å; P1066-L1068 VanDerWaalsContact O-N 3.12Å | ||
| 1067 | V | 36.2 | Very low | 50.8 | Low | 100 Ų | 100 | 96.8 Ų | 96.8 | 61% | 0.606 | 52% | 0.522 | S | S | * | . | trans | -79.2 | 96.8 | 176.3 | -165 | 0 | 0 | 0 | 0 | 109.3 | L1065 I1069 | L1065-V1067 PolarHBondContact O-N 2.86Å; V1067-I1069 HydrophobicContact CB-CG1 4.18Å; V1067-I1069 HydrophobicContact CG1-CD1 4.15Å; V1067-I1069 HydrophobicContact CG1-CG1 3.53Å; V1067-I1069 PolarHBondContact O-N 2.76Å | ||
| 1068 | L | 29.9 | Very low | 50.6 | Low | 172 Ų | 172 | 95.6 Ų | 95.6 | 90% | 0.901 | 51% | 0.514 | S | S | * | . | trans | -67.6 | 80.4 | 168.9 | -96.4 | 158.5 | 0 | 0 | 0 | 110.3 | P1066 N1070 | P1066-L1068 PolarHBondContact O-N 3.49Å; P1066-L1068 VanDerWaalsContact O-N 3.12Å; L1068-N1070 VanDerWaalsContact C-N 3.32Å; L1068-N1070 PolarHBondContact O-N 2.85Å | ||
| 1069 | I | 32.4 | Very low | 50.4 | Low | 130 Ų | 130 | 94.2 Ų | 94.2 | 67% | 0.667 | 51% | 0.507 | S | S | * | . | trans | -79.2 | 82.5 | 174.5 | -52.5 | 178.9 | 0 | 0 | 0 | 109 | V1067 | V1067-I1069 HydrophobicContact CB-CG1 4.18Å; V1067-I1069 HydrophobicContact CG1-CD1 4.15Å; V1067-I1069 HydrophobicContact CG1-CG1 3.53Å; V1067-I1069 PolarHBondContact O-N 2.76Å | ||
| 1070 | N | 28.1 | Very low | 50.2 | Low | 149 Ų | 149 | 95.2 Ų | 95.2 | 80% | 0.797 | 51% | 0.514 | S | S | * | . | trans | -80.8 | 137.7 | 153.7 | -154.3 | -1.5 | 0 | 0 | 0 | 108.4 | L1068 | L1068-N1070 VanDerWaalsContact C-N 3.32Å; L1068-N1070 PolarHBondContact O-N 2.85Å | ||
| 1071 | Q | 30.6 | Very low | 50.2 | Low | 157 Ų | 157 | 94.7 Ų | 94.7 | 73% | 0.734 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -75.7 | 150.2 | -175.7 | -64 | 178.8 | 0 | 0 | 0 | 110.2 | ||
| 1072 | N | 31.6 | Very low | 50.4 | Low | 153 Ų | 153 | 96 Ų | 96 | 82% | 0.818 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 78.8 | 49.2 | 178.1 | -47.4 | -36.9 | 0 | 0 | 0 | 118.2 | ||
| 1073 | T | 33.9 | Very low | 50.5 | Low | 126 Ų | 126 | 95.3 Ų | 95.3 | 77% | 0.773 | 51% | 0.511 | S | S | * | . | trans | -169.6 | 124.5 | 138.1 | 12.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1074 | V | 35.1 | Very low | 51.1 | Low | 113 Ų | 113 | 97.8 Ų | 97.8 | 69% | 0.685 | 52% | 0.516 | S | S | * | . | trans | -96.8 | -6.6 | -170.1 | 179.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1075 | T | 41.6 | Very low | 52 | Low | 103 Ų | 103 | 97.1 Ų | 97.1 | 63% | 0.632 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -92.9 | -15.6 | -158.2 | 47 | 0 | 0 | 0 | 0 | 117.5 | ||
| 1076 | D | 50.9 | Low | 52.8 | Low | 102 Ų | 102 | 95 Ų | 95 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | trans | -130.3 | 63.4 | -173.4 | -83.9 | -64.5 | 0 | 0 | 0 | 114 | R1012 F1078 | R1012-D1076 IonicContact CZ-OD1 2.82Å; R1012-D1076 IonicContact NE-OD1 2.7Å; R1012-D1076 IonicContact NH2-OD1 2.71Å; R1012-D1076 PolarHBondContact NH2-OD1 2.69Å; D1076-F1078 HydrophobicContact CB-CE2 4.35Å; D1076-F1078 WeakPolarHBondContact OD1-CE2 3.41Å | ||
| 1077 | R | 63.6 | Low | 54.2 | Low | 147 Ų | 147 | 94.8 Ų | 94.8 | 56% | 0.555 | 49% | 0.488 | S | S | * | . | trans | -90.6 | 121.9 | 169.5 | -56.5 | -176.2 | -167.9 | -174.5 | 2.8 | 109.9 | P1013 | P1013-R1077 WeakPolarHBondContact CD-O 3.12Š| ||
| 1078 | F | 73 | Confident | 55.5 | Low | 70 Ų | 70 | 91.9 Ų | 91.9 | 31% | 0.307 | 47% | 0.473 | S | S | . | . | trans | -120.3 | 135.8 | 173.3 | -72.9 | -99.5 | 0 | 0 | 0 | 110.8 | R1010 W1011 R1012 D1076 | R1010-F1078 HydrophobicContact CB-CD1 4.44Å; R1010-F1078 HydrophobicContact CG-CD1 4.19Å; W1011-F1078 CarbonylContact O-C 3.49Å; W1011-F1078 VanDerWaalsContact O-CA 3.28Å; W1011-F1078 WeakPolarHBondContact O-CA 3.34Å; R1012-F1078 HydrophobicContact CG-CD1 4.02Å; R1012-F1078 HydrophobicContact CG-CD2 4.45Å; R1012-F1078 HydrophobicContact CG-CE1 3.75Å; R1012-F1078 HydrophobicContact CG-CE2 4.21Å; R1012-F1078 HydrophobicContact CG-CG 4.36Å; R1012-F1078 HydrophobicContact CG-CZ 3.85Å; D1076-F1078 HydrophobicContact CB-CE2 4.35Å; D1076-F1078 WeakPolarHBondContact OD1-CE2 3.41Å | ||
| 1079 | V | 74.8 | Confident | 57.5 | Low | 13 Ų | 13 | 84.5 Ų | 84.5 | 8% | 0.079 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 147.6 | 161.2 | 178.6 | 0 | 0 | 0 | 0 | 108 | R1010 W1011 P1013 Y1024 L1065 | R1010-V1079 CarbonylContact C-O 3.39Å; R1010-V1079 WeakPolarHBondContact CA-O 3.13Å; R1010-V1079 WeakPolarHBondContact CB-O 3.39Å; W1011-V1079 HydrophobicContact CD2-CB 4.21Å; W1011-V1079 HydrophobicContact CD2-CG1 4.43Å; W1011-V1079 HydrophobicContact CH2-CB 4.45Å; W1011-V1079 HydrophobicContact CH2-CG1 3.67Å; W1011-V1079 HydrophobicContact CZ2-CB 3.92Å; W1011-V1079 HydrophobicContact CZ2-CG1 3.3Å; W1011-V1079 HydrophobicContact CZ3-CG1 4.38Å; W1011-V1079 PolarHBondContact N-O 3.11Å; W1011-V1079 PolarHBondContact O-N 3.13Å; P1013-V1079 HydrophobicContact CB-CG2 4.1Å; P1013-V1079 HydrophobicContact CG-CG2 4.43Å; Y1024-V1079 HydrophobicContact CD2-CG1 4.35Å; Y1024-V1079 HydrophobicContact CE2-CG1 4.2Å; Y1024-V1079 HydrophobicContact CE2-CG2 4.01Å; L1065-V1079 HydrophobicContact CD1-CB 4.29Å; L1065-V1079 HydrophobicContact CD1-CG1 3.48Å; L1065-V1079 VanDerWaalsContact CD1-CG1 3.48Å; L1065-V1079 HydrophobicContact CD1-CG2 3.96Å; L1065-V1079 HydrophobicContact CD2-CG1 4.02Å; L1065-V1079 HydrophobicContact CG-CG1 4.42Å |
| 1080 | S | 75.6 | Confident | 59.9 | Low | 44 Ų | 44 | 81 Ų | 81 | 31% | 0.308 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 159.8 | 170.3 | 78.9 | 0 | 0 | 0 | 0 | 113.3 | Q1008 L1009 | Q1008-S1080 PolarHBondContact NE2-OG 2.67Å; L1009-S1080 CarbonylContact O-C 3.33Å; L1009-S1080 WeakPolarHBondContact O-CA 3.32Å; L1009-S1080 WeakPolarHBondContact O-CB 2.99Å |
| 1081 | V | 77.5 | Confident | 62.5 | Low | 17 Ų | 17 | 74.5 Ų | 74.5 | 10% | 0.103 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 142.8 | 169 | 64.7 | 0 | 0 | 0 | 0 | 109.7 | Q1008 L1009 W1011 I1026 L1060 L1083 | Q1008-V1081 CarbonylContact C-O 3.57Å; Q1008-V1081 VanDerWaalsContact CA-O 3.31Å; Q1008-V1081 WeakPolarHBondContact CA-O 3.38Å; L1009-V1081 HydrophobicContact CB-CG1 4.03Å; L1009-V1081 HydrophobicContact CD1-CG1 4.33Å; L1009-V1081 HydrophobicContact CG-CG1 4.36Å; L1009-V1081 PolarHBondContact N-O 3.45Å; L1009-V1081 PolarHBondContact O-N 3.48Å; W1011-V1081 HydrophobicContact CH2-CG1 4.28Å; W1011-V1081 HydrophobicContact CZ3-CG1 4.11Å; I1026-V1081 HydrophobicContact CD1-CG1 3.55Å; L1060-V1081 HydrophobicContact CD1-CB 3.68Å; L1060-V1081 HydrophobicContact CD1-CG1 4.04Å; L1060-V1081 HydrophobicContact CD1-CG2 3.99Å; L1060-V1081 HydrophobicContact CD2-CB 4.19Å; L1060-V1081 HydrophobicContact CD2-CG2 3.73Å; L1060-V1081 HydrophobicContact CG-CG2 4.42Å; V1081-L1083 HydrophobicContact CG1-CD2 4.12Å; V1081-L1083 HydrophobicContact CG2-CD2 4.33Å |
| 1082 | Q | 77.9 | Confident | 65.4 | Low | 63 Ų | 63 | 67.4 Ų | 67.4 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 121.5 | 165 | -75.9 | 174.2 | -17.6 | 0 | 0 | 108.7 | E949 V1006 Q1008 Y1084 | E949-Q1082 PolarHBondContact OE2-NE2 3.29Å; V1006-Q1082 HydrophobicContact CG1-CB 3.83Å; V1006-Q1082 HydrophobicContact CG1-CG 4Å; Q1008-Q1082 HydrophobicContact CB-CG 4.09Å; Q1008-Q1082 HydrophobicContact CG-CG 4.04Å; Q1082-Y1084 HydrophobicContact CB-CE1 4.35Å; Q1082-Y1084 HydrophobicContact CB-CE2 3.84Å; Q1082-Y1084 WeakPolarHBondContact O-CD2 3.42Å; Q1082-Y1084 WeakPolarHBondContact O-CE2 3.38Å; Q1082-Y1084 PolarHBondContact OE1-OH 2.72Å |
| 1083 | L | 73.9 | Confident | 68.1 | Low | 5 Ų | 5 | 60.1 Ų | 60.1 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 121.4 | 172 | -56.4 | -177.7 | 0 | 0 | 0 | 108.5 | V1006 K1007 L1009 I1058 V1081 L1086 F1112 | V1006-L1083 CarbonylContact C-O 3.48Å; V1006-L1083 WeakPolarHBondContact CA-O 3.27Å; K1007-L1083 PolarHBondContact N-O 3.34Å; K1007-L1083 PolarHBondContact O-N 3.27Å; L1009-L1083 HydrophobicContact CD1-CD1 3.79Å; L1009-L1083 HydrophobicContact CD1-CG 4.32Å; L1009-L1083 HydrophobicContact CG-CD1 4.09Å; L1009-L1083 HydrophobicContact CG-CG 4.37Å; I1058-L1083 HydrophobicContact CD1-CD2 3.41Å; I1058-L1083 VanDerWaalsContact CD1-CD2 3.41Å; V1081-L1083 HydrophobicContact CG1-CD2 4.12Å; V1081-L1083 HydrophobicContact CG2-CD2 4.33Å; L1083-L1086 HydrophobicContact CB-CD1 3.35Å; L1083-L1086 HydrophobicContact CB-CG 4.24Å; L1083-L1086 HydrophobicContact CD1-CD1 4.02Å; L1083-L1086 HydrophobicContact CG-CD1 4.35Å; L1083-F1112 HydrophobicContact CD1-CE1 4.07Å; L1083-F1112 HydrophobicContact CD1-CZ 3.75Å |
| 1084 | Y | 71.1 | Confident | 70.9 | Confident | 124 Ų | 124 | 55.1 Ų | 55.1 | 49% | 0.486 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 159.9 | -178.8 | -55.5 | -90.8 | 0 | 0 | 0 | 111.4 | I1004 S1005 V1006 Q1082 L1086 | I1004-Y1084 HydrophobicContact CG2-CD1 4.15Å; S1005-Y1084 WeakPolarHBondContact O-CA 3.3Å; V1006-Y1084 HydrophobicContact CB-CD1 4.48Å; V1006-Y1084 HydrophobicContact CG1-CD1 4.09Å; V1006-Y1084 HydrophobicContact CG1-CE1 3.98Å; V1006-Y1084 HydrophobicContact CG2-CD1 3.7Å; V1006-Y1084 HydrophobicContact CG2-CE1 3.97Å; Q1082-Y1084 HydrophobicContact CB-CE1 4.35Å; Q1082-Y1084 HydrophobicContact CB-CE2 3.84Å; Q1082-Y1084 WeakPolarHBondContact O-CD2 3.42Å; Q1082-Y1084 WeakPolarHBondContact O-CE2 3.38Å; Q1082-Y1084 PolarHBondContact OE1-OH 2.72Å; Y1084-L1086 PolarHBondContact O-N 3.08Å; Y1084-L1086 VanDerWaalsContact O-N 3.1Å |
| 1085 | D | 65.5 | Low | 73.5 | Confident | 103 Ų | 103 | 49.8 Ų | 49.8 | 55% | 0.551 | 25% | 0.25 | S | C | * | . | S | Bend | trans | 54.8 | 30.7 | 169.8 | -154.9 | 40.2 | 0 | 0 | 0 | 114.5 | S1005 R1087 | S1005-D1085 PolarHBondContact O-N 3.21Å; S1005-D1085 VanDerWaalsContact O-N 3.15Å; D1085-R1087 PolarHBondContact O-N 3.49Å |
| 1086 | L | 68 | Low | 75.8 | Confident | 7 Ų | 7 | 45.7 Ų | 45.7 | 4% | 0.037 | 22% | 0.224 | C | C | . | . | trans | -73.9 | 114.1 | 174 | -75.2 | 156.8 | 0 | 0 | 0 | 109.3 | S1005 K1007 Y1028 L1083 Y1084 Y1091 F1112 V1114 | S1005-L1086 PolarHBondContact OG-N 3.29Å; S1005-L1086 PolarHBondContact OG-O 3.48Å; K1007-L1086 HydrophobicContact CB-CD1 4.28Å; K1007-L1086 HydrophobicContact CG-CD1 4.39Å; Y1028-L1086 HydrophobicContact CD2-CD2 4.01Å; Y1028-L1086 HydrophobicContact CE2-CD2 3.53Å; L1083-L1086 HydrophobicContact CB-CD1 3.35Å; L1083-L1086 HydrophobicContact CB-CG 4.24Å; L1083-L1086 HydrophobicContact CD1-CD1 4.02Å; L1083-L1086 HydrophobicContact CG-CD1 4.35Å; Y1084-L1086 PolarHBondContact O-N 3.08Å; Y1084-L1086 VanDerWaalsContact O-N 3.1Å; L1086-Y1091 HydrophobicContact CB-CE2 4.28Å; L1086-Y1091 HydrophobicContact CD2-CD1 4.18Å; L1086-Y1091 HydrophobicContact CD2-CE1 3.75Å; L1086-Y1091 HydrophobicContact CD2-CE2 4.16Å; L1086-F1112 HydrophobicContact CD1-CE2 3.69Å; L1086-F1112 HydrophobicContact CD1-CZ 4Å; L1086-F1112 HydrophobicContact CD2-CE2 4.29Å; L1086-F1112 HydrophobicContact CD2-CZ 4.29Å; L1086-V1114 HydrophobicContact CB-CB 4.02Å; L1086-V1114 HydrophobicContact CB-CG1 3.99Å; L1086-V1114 HydrophobicContact CB-CG2 3.71Å; L1086-V1114 HydrophobicContact CD1-CG2 4.1Å; L1086-V1114 HydrophobicContact CG-CG2 4.48Å; L1086-V1114 VanDerWaalsContact O-CG1 3.29Å; L1086-V1114 WeakPolarHBondContact O-CG1 3.41Å | ||
| 1087 | R | 66.2 | Low | 77.6 | Confident | 92 Ų | 92 | 40.9 Ų | 40.9 | 35% | 0.347 | 20% | 0.198 | S | C | . | . | trans | -53 | 172.1 | 174.7 | -65.5 | -162.2 | -163.8 | 168.4 | 7.6 | 113.7 | R1030 D1085 Y1091 L1115 D1116 | R1030-R1087 VanDerWaalsContact NH1-CB 3.29Å; D1085-R1087 PolarHBondContact O-N 3.49Å; R1087-Y1091 PolarHBondContact N-OH 3.19Å; R1087-Y1091 WeakPolarHBondContact O-CE2 3.22Å; R1087-Y1091 PolarHBondContact O-OH 2.88Å; R1087-L1115 CarbonylContact C-O 3.49Å; R1087-D1116 VanDerWaalsContact CB-OD1 3.25Å; R1087-D1116 WeakPolarHBondContact CB-OD1 3.41Å; R1087-D1116 VanDerWaalsContact CD-OD1 3.3Å; R1087-D1116 WeakPolarHBondContact CD-OD1 3.24Å; R1087-D1116 VanDerWaalsContact CG-OD1 3.25Å; R1087-D1116 WeakPolarHBondContact CG-OD1 3.12Å | ||
| 1088 | S | 63.9 | Low | 78.6 | Confident | 40 Ų | 40 | 34 Ų | 34 | 28% | 0.28 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -64.5 | 145.6 | 178.4 | 69.3 | 0 | 0 | 0 | 0 | 113.4 | R1030 V1114 L1115 D1116 | R1030-S1088 WeakPolarHBondContact CD-O 3.44Å; R1030-S1088 PolarHBondContact NE-O 3.05Å; R1030-S1088 VanDerWaalsContact NE-O 3.15Å; R1030-S1088 PolarHBondContact NH1-O 2.68Å; S1088-V1114 WeakPolarHBondContact CA-O 3.19Å; S1088-L1115 VanDerWaalsContact CA-CA 3.42Å; S1088-L1115 VanDerWaalsContact N-C 3.32Å; S1088-L1115 PolarHBondContact N-O 3.46Å; S1088-D1116 VanDerWaalsContact CB-OD2 3.3Å; S1088-D1116 WeakPolarHBondContact CB-OD2 3.46Å; S1088-D1116 PolarHBondContact N-OD2 3.02Å; S1088-D1116 PolarHBondContact OG-OD2 3.02Å |
| 1089 | G | 73.5 | Confident | 79.2 | Confident | 16 Ų | 16 | 30.8 Ų | 30.8 | 17% | 0.165 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 133.1 | 174.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1113 V1114 | G1089-K1113 CarbonylContact O-C 3.51Å; G1089-K1113 VanDerWaalsContact O-CA 3.27Å; G1089-K1113 WeakPolarHBondContact O-CA 3.18Å; G1089-K1113 WeakPolarHBondContact O-CG 3.48Å; G1089-V1114 PolarHBondContact N-O 3.42Å; G1089-V1114 PolarHBondContact O-N 3.03Å |
| 1090 | V | 81.1 | Confident | 79.2 | Confident | 56 Ų | 56 | 30.9 Ų | 30.9 | 34% | 0.339 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 138.6 | 169.2 | -178.5 | 0 | 0 | 0 | 0 | 107.5 | R1030 L1031 F1112 K1113 | R1030-V1090 CarbonylContact C-O 3.49Å; L1031-V1090 HydrophobicContact CB-CB 4.36Å; L1031-V1090 HydrophobicContact CD1-CG1 4.09Å; L1031-V1090 PolarHBondContact N-O 2.8Å; V1090-F1112 CarbonylContact C-O 3.4Å; V1090-F1112 WeakPolarHBondContact CA-O 3.48Å; V1090-F1112 WeakPolarHBondContact CG1-O 3.2Å; V1090-K1113 HydrophobicContact CG2-CB 4.49Å; V1090-K1113 HydrophobicContact CG2-CD 4.29Å; V1090-K1113 HydrophobicContact CG2-CG 4.19Å |
| 1091 | Y | 84.4 | Confident | 79.5 | Confident | 14 Ų | 14 | 30.8 Ų | 30.8 | 6% | 0.055 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 152.4 | 174.3 | -73.9 | -94.8 | 0 | 0 | 0 | 110.4 | Y1028 R1029 R1030 L1086 R1087 R1111 F1112 V1114 | Y1028-Y1091 AromaticContact CD2-CD1 3.81Å; Y1028-Y1091 HydrophobicContact CD2-CD1 3.81Å; Y1028-Y1091 HydrophobicContact CD2-CE1 4.06Å; Y1028-Y1091 HydrophobicContact CE2-CD1 4.34Å; Y1028-Y1091 HydrophobicContact CE2-CE1 4.12Å; R1029-Y1091 CarbonylContact O-C 3.55Å; R1029-Y1091 VanDerWaalsContact O-CA 3.22Å; R1029-Y1091 WeakPolarHBondContact O-CA 3.41Å; R1029-Y1091 WeakPolarHBondContact O-CD1 3.41Å; R1030-Y1091 HydrophobicContact CB-CD1 4.11Å; R1030-Y1091 HydrophobicContact CB-CE1 3.74Å; R1030-Y1091 HydrophobicContact CG-CD1 4.44Å; R1030-Y1091 HydrophobicContact CG-CE1 3.98Å; R1030-Y1091 HydrophobicContact CG-CE2 4.11Å; L1086-Y1091 HydrophobicContact CB-CE2 4.28Å; L1086-Y1091 HydrophobicContact CD2-CD1 4.18Å; L1086-Y1091 HydrophobicContact CD2-CE1 3.75Å; L1086-Y1091 HydrophobicContact CD2-CE2 4.16Å; R1087-Y1091 PolarHBondContact N-OH 3.19Å; R1087-Y1091 WeakPolarHBondContact O-CE2 3.22Å; R1087-Y1091 PolarHBondContact O-OH 2.88Å; Y1091-R1111 CarbonylContact O-C 3.6Å; Y1091-R1111 WeakPolarHBondContact O-CA 3.48Å; Y1091-R1111 WeakPolarHBondContact O-CB 3.48Å; Y1091-F1112 VanDerWaalsContact CB-CE2 3.48Å; Y1091-F1112 VanDerWaalsContact CB-CZ 3.48Å; Y1091-F1112 HydrophobicContact CD1-CZ 4.41Å; Y1091-F1112 HydrophobicContact CD2-CD2 4.16Å; Y1091-F1112 AromaticContact CD2-CE2 3.63Å; Y1091-F1112 HydrophobicContact CD2-CE2 3.63Å; Y1091-F1112 HydrophobicContact CD2-CZ 4.3Å; Y1091-F1112 HydrophobicContact CG-CD2 4.32Å; Y1091-F1112 AromaticContact CG-CE2 3.62Å; Y1091-F1112 HydrophobicContact CG-CE2 3.62Å; Y1091-F1112 AromaticContact CG-CZ 3.83Å; Y1091-F1112 HydrophobicContact CG-CZ 3.83Å; Y1091-F1112 PolarHBondContact N-O 2.91Å; Y1091-F1112 PolarHBondContact O-N 3.46Å; Y1091-V1114 HydrophobicContact CD2-CG2 3.93Å; Y1091-V1114 HydrophobicContact CE2-CB 4.33Å; Y1091-V1114 HydrophobicContact CE2-CG2 3.92Å |
| 1092 | E | 89.9 | Confident | 79.6 | Confident | 7 Ų | 7 | 31.3 Ų | 31.3 | 3% | 0.033 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 149.4 | 164.3 | 71.5 | -179.7 | -167.7 | 0 | 0 | 111.4 | Y1028 R1029 L1031 W1055 V1109 K1110 R1111 | Y1028-E1092 CarbonylContact C-O 3.49Å; Y1028-E1092 WeakPolarHBondContact CA-O 3.3Å; R1029-E1092 HydrophobicContact CG-CG 3.79Å; R1029-E1092 IonicContact CZ-OE1 2.9Å; R1029-E1092 VanDerWaalsContact CZ-OE1 3.24Å; R1029-E1092 PolarHBondContact N-O 2.83Å; R1029-E1092 IonicContact NE-OE1 3.57Å; R1029-E1092 PolarHBondContact NE-OE1 3.35Å; R1029-E1092 IonicContact NH2-OE1 3.65Å; R1029-E1092 PolarHBondContact NH2-OE1 2.67Å; R1029-E1092 PolarHBondContact O-N 3.19Å; L1031-E1092 HydrophobicContact CD1-CB 4.46Å; L1031-E1092 HydrophobicContact CD1-CG 4.5Å; L1031-E1092 HydrophobicContact CD2-CG 4.3Å; L1031-E1092 HydrophobicContact CG-CG 4.46Å; W1055-E1092 HydrophobicContact CH2-CG 3.91Å; W1055-E1092 HydrophobicContact CZ3-CG 4.01Å; W1055-E1092 WeakPolarHBondContact CZ3-O 3.36Å; E1092-V1109 HydrophobicContact CB-CG1 3.73Å; E1092-V1109 HydrophobicContact CG-CG1 4.08Å; E1092-K1110 CarbonylContact C-O 3.47Å; E1092-K1110 WeakPolarHBondContact CA-O 3.12Å; E1092-K1110 WeakPolarHBondContact CB-O 3.29Å; E1092-R1111 HydrophobicContact CB-CG 3.71Å; E1092-R1111 IonicContact OE2-CZ 3.6Å; E1092-R1111 VanDerWaalsContact OE2-CZ 3.25Å; E1092-R1111 IonicContact OE2-NE 2.65Å; E1092-R1111 PolarHBondContact OE2-NE 3.46Å; E1092-R1111 IonicContact OE2-NH2 2.62Å; E1092-R1111 PolarHBondContact OE2-NH2 3.31Å |
| 1093 | F | 89.3 | Confident | 80 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 158.6 | -174.4 | 75.9 | -84.8 | 0 | 0 | 0 | 114.2 | I944 L946 L1009 I1026 R1027 I1095 V1109 K1110 F1112 | I944-F1093 HydrophobicContact CG2-CE2 3.79Å; I944-F1093 HydrophobicContact CG2-CZ 3.75Å; L946-F1093 HydrophobicContact CD1-CE1 3.84Å; L946-F1093 HydrophobicContact CD1-CZ 4.09Å; L1009-F1093 HydrophobicContact CD1-CD2 3.85Å; L1009-F1093 HydrophobicContact CD1-CE1 4.48Å; L1009-F1093 HydrophobicContact CD1-CE2 3.71Å; L1009-F1093 HydrophobicContact CD1-CG 4.31Å; L1009-F1093 HydrophobicContact CD1-CZ 4.04Å; L1009-F1093 HydrophobicContact CD2-CE1 3.86Å; L1009-F1093 HydrophobicContact CD2-CE2 4.18Å; L1009-F1093 HydrophobicContact CD2-CZ 3.64Å; L1009-F1093 HydrophobicContact CG-CE2 4.46Å; L1009-F1093 HydrophobicContact CG-CZ 4.38Å; I1026-F1093 HydrophobicContact CG2-CD2 4.41Å; R1027-F1093 CarbonylContact O-C 3.54Å; R1027-F1093 WeakPolarHBondContact O-CA 3.48Å; R1027-F1093 WeakPolarHBondContact O-CB 3.24Å; F1093-I1095 HydrophobicContact CD2-CG1 4.22Å; F1093-I1095 HydrophobicContact CE2-CD1 4.21Å; F1093-I1095 HydrophobicContact CE2-CG1 4.22Å; F1093-V1109 WeakPolarHBondContact O-CA 3.44Å; F1093-K1110 HydrophobicContact CD1-CB 3.87Å; F1093-K1110 HydrophobicContact CD2-CB 4.48Å; F1093-K1110 HydrophobicContact CE1-CB 3.37Å; F1093-K1110 HydrophobicContact CE1-CG 4.45Å; F1093-K1110 HydrophobicContact CE2-CB 4.03Å; F1093-K1110 HydrophobicContact CE2-CG 4.39Å; F1093-K1110 HydrophobicContact CG-CB 4.41Å; F1093-K1110 HydrophobicContact CZ-CB 3.46Å; F1093-K1110 VanDerWaalsContact CZ-CB 3.46Å; F1093-K1110 HydrophobicContact CZ-CG 4.09Å; F1093-K1110 PolarHBondContact N-O 3.24Å; F1093-K1110 PolarHBondContact O-N 2.86Å; F1093-F1112 AromaticContact CD1-CD1 3.6Å; F1093-F1112 HydrophobicContact CD1-CD1 3.6Å; F1093-F1112 AromaticContact CD1-CE1 3.65Å; F1093-F1112 HydrophobicContact CD1-CE1 3.65Å; F1093-F1112 AromaticContact CE1-CD1 3.78Å; F1093-F1112 HydrophobicContact CE1-CD1 3.78Å; F1093-F1112 HydrophobicContact CE1-CE1 4.18Å; F1093-F1112 HydrophobicContact CG-CE1 4.34Å |
| 1094 | Q | 91.8 | Very high | 80.4 | Confident | 21 Ų | 21 | 33.4 Ų | 33.4 | 10% | 0.098 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 155.8 | 171.7 | -61.2 | 177.1 | -87.3 | 0 | 0 | 109.7 | I1026 R1027 W1106 T1107 V1109 | I1026-Q1094 CarbonylContact C-O 3.59Å; I1026-Q1094 WeakPolarHBondContact CA-O 3.46Å; R1027-Q1094 HydrophobicContact CG-CB 4.08Å; R1027-Q1094 VanDerWaalsContact CZ-OE1 3.29Å; R1027-Q1094 PolarHBondContact N-O 3.4Å; R1027-Q1094 PolarHBondContact O-N 2.96Å; Q1094-W1106 HydrophobicContact CB-CE3 3.87Å; Q1094-T1107 WeakPolarHBondContact CG-O 3.49Å; Q1094-T1107 PolarHBondContact NE2-O 3.48Å; Q1094-V1109 HydrophobicContact CG-CB 4.32Å; Q1094-V1109 HydrophobicContact CG-CG2 3.73Å |
| 1095 | I | 90.1 | Very high | 81.2 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 147.6 | 178.7 | -44.5 | -173.1 | 0 | 0 | 0 | 109.3 | I939 I944 W1011 Y1024 W1025 I1026 F1093 W1106 T1107 | I939-I1095 HydrophobicContact CD1-CB 4.16Å; I939-I1095 HydrophobicContact CD1-CG2 3.56Å; I944-I1095 HydrophobicContact CD1-CD1 4.29Å; I944-I1095 HydrophobicContact CD1-CG1 4.4Å; I944-I1095 HydrophobicContact CG2-CD1 4.48Å; W1011-I1095 HydrophobicContact CB-CD1 4.41Å; W1011-I1095 HydrophobicContact CD2-CD1 3.54Å; W1011-I1095 HydrophobicContact CE3-CD1 3.43Å; W1011-I1095 VanDerWaalsContact CE3-CD1 3.43Å; W1011-I1095 HydrophobicContact CG-CD1 3.98Å; W1011-I1095 HydrophobicContact CH2-CD1 4.44Å; W1011-I1095 HydrophobicContact CZ2-CD1 4.49Å; W1011-I1095 HydrophobicContact CZ2-CG2 4.26Å; W1011-I1095 HydrophobicContact CZ3-CD1 3.94Å; Y1024-I1095 HydrophobicContact CD1-CG2 4.47Å; W1025-I1095 CarbonylContact O-C 3.51Å; W1025-I1095 WeakPolarHBondContact O-CA 3.24Å; I1026-I1095 HydrophobicContact CG1-CD1 4.49Å; I1026-I1095 HydrophobicContact CG1-CG1 4.16Å; I1026-I1095 HydrophobicContact CG1-CG2 4.04Å; F1093-I1095 HydrophobicContact CD2-CG1 4.22Å; F1093-I1095 HydrophobicContact CE2-CD1 4.21Å; F1093-I1095 HydrophobicContact CE2-CG1 4.22Å; I1095-W1106 VanDerWaalsContact C-CE3 3.49Å; I1095-W1106 CarbonylContact O-C 3.53Å; I1095-W1106 WeakPolarHBondContact O-CA 3.31Å; I1095-T1107 HydrophobicContact CB-CG2 4.21Å; I1095-T1107 PolarHBondContact N-OG1 2.88Å; I1095-T1107 WeakPolarHBondContact O-CG2 3.27Å; I1095-T1107 PolarHBondContact O-N 3.2Å |
| 1096 | M | 90.9 | Very high | 82.3 | Confident | 18 Ų | 18 | 29.1 Ų | 29.1 | 9% | 0.089 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 138.9 | 173.4 | 159.2 | -173.4 | -81.2 | 0 | 0 | 107.9 | Y1024 W1025 N1103 G1104 W1106 | Y1024-M1096 CarbonylContact C-O 3.51Å; Y1024-M1096 WeakPolarHBondContact CA-O 3.48Å; W1025-M1096 HydrophobicContact CB-CB 4.32Å; W1025-M1096 PolarHBondContact N-O 3.07Å; W1025-M1096 PolarHBondContact O-N 3.49Å; M1096-N1103 HydrophobicContact CE-CB 4.11Å; M1096-N1103 HydrophobicContact SD-CB 3.85Å; M1096-G1104 WeakPolarHBondContact CE-O 3.37Å; M1096-G1104 WeakPolarHBondContact CG-O 3.33Å; M1096-W1106 HydrophobicContact CB-CD2 3.75Å; M1096-W1106 HydrophobicContact CB-CE3 3.52Å; M1096-W1106 HydrophobicContact CB-CG 4.39Å; M1096-W1106 HydrophobicContact CB-CH2 4.09Å; M1096-W1106 HydrophobicContact CB-CZ2 4.3Å; M1096-W1106 HydrophobicContact CB-CZ3 3.7Å; M1096-W1106 HydrophobicContact CE-CD2 4.03Å; M1096-W1106 HydrophobicContact CE-CG 4.01Å; M1096-W1106 HydrophobicContact CE-CZ2 4.2Å; M1096-W1106 VanDerWaalsContact CE-NE1 3.32Å; M1096-W1106 HydrophobicContact SD-CZ2 4.08Å |
| 1097 | S | 88.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 150.1 | 169.4 | 124.2 | 0 | 0 | 0 | 0 | 110 | D937 G1104 | D937-S1097 VanDerWaalsContact O-CB 3.23Å; D937-S1097 WeakPolarHBondContact O-CB 3.36Å; D937-S1097 PolarHBondContact O-OG 2.82Å; S1097-G1104 PolarHBondContact O-N 3.07Å |
| 1098 | V | 84.3 | Confident | 84.3 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.012 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 118.2 | 172 | -173.7 | 0 | 0 | 0 | 0 | 108 | T1021 L1022 R1023 W1025 G1102 N1103 | T1021-V1098 CarbonylContact C-O 3.49Å; T1021-V1098 WeakPolarHBondContact CA-O 3.02Å; T1021-V1098 WeakPolarHBondContact CG2-O 3.26Å; L1022-V1098 PolarHBondContact N-O 2.93Å; R1023-V1098 HydrophobicContact CG-CB 3.74Å; R1023-V1098 HydrophobicContact CG-CG1 4.29Å; R1023-V1098 HydrophobicContact CG-CG2 3.95Å; R1023-V1098 PolarHBondContact N-O 2.84Å; R1023-V1098 PolarHBondContact O-N 3.44Å; W1025-V1098 VanDerWaalsContact CD1-CG2 3.5Å; V1098-G1102 CarbonylContact C-O 3.58Å; V1098-G1102 WeakPolarHBondContact CA-O 3.2Å; V1098-N1103 WeakPolarHBondContact CG2-OD1 3.34Å |
| 1099 | S | 84.1 | Confident | 85.4 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | -179.2 | 177.8 | 72.8 | 0 | 0 | 0 | 0 | 112.3 | D937 L1020 A1101 G1102 | D937-S1099 VanDerWaalsContact CG-OG 3.22Å; D937-S1099 WeakPolarHBondContact OD1-CB 3.42Å; D937-S1099 PolarHBondContact OD1-OG 3.3Å; D937-S1099 VanDerWaalsContact OD2-CB 3.31Å; D937-S1099 WeakPolarHBondContact OD2-CB 3.06Å; D937-S1099 PolarHBondContact OD2-OG 3.44Å; L1020-S1099 CarbonylContact O-C 3.54Å; L1020-S1099 WeakPolarHBondContact O-CA 3.23Å; S1099-A1101 PolarHBondContact O-N 3.44Å; S1099-A1101 PolarHBondContact OG-N 2.95Å; S1099-A1101 VanDerWaalsContact OG-N 3.09Å; S1099-G1102 PolarHBondContact N-O 2.78Å; S1099-G1102 PolarHBondContact O-N 2.9Å; S1099-G1102 PolarHBondContact OG-N 2.74Å; S1099-G1102 PolarHBondContact OG-O 3.22Å |
| 1100 | L | 76.1 | Confident | 86.1 | Confident | 15 Ų | 15 | 30.6 Ų | 30.6 | 8% | 0.079 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -65.3 | -15.5 | 168.3 | -74.2 | 167.5 | 0 | 0 | 0 | 112.8 | V680 I700 Y879 N1018 L1020 L1022 | V680-L1100 HydrophobicContact CG1-CD1 4.2Å; V680-L1100 HydrophobicContact CG2-CD1 4.08Å; I700-L1100 HydrophobicContact CD1-CD2 3.67Å; Y879-L1100 HydrophobicContact CD1-CB 4.13Å; Y879-L1100 HydrophobicContact CE1-CB 3.72Å; Y879-L1100 WeakPolarHBondContact CE1-O 3.44Å; Y879-L1100 PolarHBondContact OH-O 3.41Å; N1018-L1100 PolarHBondContact O-N 3.24Å; L1020-L1100 HydrophobicContact CB-CD1 3.69Å; L1020-L1100 HydrophobicContact CB-CG 4.12Å; L1020-L1100 PolarHBondContact O-N 3.06Å; L1022-L1100 HydrophobicContact CD1-CD2 4.21Å; L1022-L1100 HydrophobicContact CD2-CD2 3.79Å; L1022-L1100 HydrophobicContact CD2-CG 4.2Å; L1022-L1100 HydrophobicContact CG-CD2 4.25Å; L1022-L1100 HydrophobicContact CG-CG 4.4Å |
| 1101 | A | 80.8 | Confident | 86.3 | Confident | 42 Ų | 42 | 35.8 Ų | 35.8 | 35% | 0.347 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -95.2 | -21.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | Y879 A932 N1018 S1099 | Y879-A1101 HydrophobicContact CD1-CB 4.12Å; Y879-A1101 HydrophobicContact CD2-CB 3.83Å; Y879-A1101 HydrophobicContact CE1-CB 4.08Å; Y879-A1101 HydrophobicContact CE2-CB 3.75Å; Y879-A1101 HydrophobicContact CG-CB 4Å; A932-A1101 HydrophobicContact CB-CB 3.93Å; N1018-A1101 HydrophobicContact CB-CB 3.54Å; S1099-A1101 PolarHBondContact O-N 3.44Å; S1099-A1101 PolarHBondContact OG-N 2.95Å; S1099-A1101 VanDerWaalsContact OG-N 3.09Å |
| 1102 | G | 80.6 | Confident | 86.2 | Confident | 29 Ų | 29 | 35.8 Ų | 35.8 | 30% | 0.299 | 20% | 0.196 | S | C | . | . | trans | 148.3 | -156.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1098 S1099 | V1098-G1102 CarbonylContact C-O 3.58Å; V1098-G1102 WeakPolarHBondContact CA-O 3.2Å; S1099-G1102 PolarHBondContact N-O 2.78Å; S1099-G1102 PolarHBondContact O-N 2.9Å; S1099-G1102 PolarHBondContact OG-N 2.74Å; S1099-G1102 PolarHBondContact OG-O 3.22Å | ||
| 1103 | N | 85.5 | Confident | 85.5 | Confident | 103 Ų | 103 | 42.1 Ų | 42.1 | 55% | 0.551 | 22% | 0.223 | S | C | * | . | B | Isolated β-bridge | trans | -84.7 | 131.7 | 178.7 | -61.8 | -15.7 | 0 | 0 | 0 | 110.8 | M1096 V1098 | M1096-N1103 HydrophobicContact CE-CB 4.11Å; M1096-N1103 HydrophobicContact SD-CB 3.85Å; V1098-N1103 WeakPolarHBondContact CG2-OD1 3.34Å |
| 1104 | G | 82.1 | Confident | 84.5 | Confident | 9 Ų | 9 | 42.6 Ų | 42.6 | 9% | 0.093 | 23% | 0.226 | C | C | . | . | trans | -79.9 | -177 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D938 M1096 S1097 | D938-G1104 WeakPolarHBondContact OD1-CA 3.38Å; M1096-G1104 WeakPolarHBondContact CE-O 3.37Å; M1096-G1104 WeakPolarHBondContact CG-O 3.33Å; S1097-G1104 PolarHBondContact O-N 3.07Å | ||
| 1105 | S | 88.8 | Confident | 82.7 | Confident | 63 Ų | 63 | 47.8 Ų | 47.8 | 44% | 0.441 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 151.9 | 178.8 | -58.9 | 0 | 0 | 0 | 0 | 113.4 | D938 | D938-S1105 VanDerWaalsContact CG-CB 3.49Å; D938-S1105 VanDerWaalsContact CG-OG 3.29Å; D938-S1105 PolarHBondContact OD1-N 2.87Å; D938-S1105 PolarHBondContact OD1-OG 3Å; D938-S1105 WeakPolarHBondContact OD2-CB 3.45Å; D938-S1105 PolarHBondContact OD2-OG 3.32Å |
| 1106 | W | 88.6 | Confident | 80.8 | Confident | 73 Ų | 73 | 51.1 Ų | 51.1 | 28% | 0.277 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 133.1 | 164.5 | -73.3 | 108.8 | 0 | 0 | 0 | 110.8 | W1025 R1027 L1057 Q1094 I1095 M1096 | W1025-W1106 HydrophobicContact CB-CH2 3.72Å; W1025-W1106 HydrophobicContact CB-CZ3 4.21Å; R1027-W1106 HydrophobicContact CB-CH2 3.68Å; R1027-W1106 HydrophobicContact CB-CZ2 4.37Å; R1027-W1106 HydrophobicContact CB-CZ3 3.87Å; R1027-W1106 HydrophobicContact CG-CD2 4.42Å; R1027-W1106 HydrophobicContact CG-CE3 3.94Å; R1027-W1106 HydrophobicContact CG-CH2 3.74Å; R1027-W1106 HydrophobicContact CG-CZ2 4.21Å; R1027-W1106 HydrophobicContact CG-CZ3 3.59Å; L1057-W1106 HydrophobicContact CD2-CH2 4.16Å; L1057-W1106 HydrophobicContact CD2-CZ2 4.44Å; Q1094-W1106 HydrophobicContact CB-CE3 3.87Å; I1095-W1106 VanDerWaalsContact C-CE3 3.49Å; I1095-W1106 CarbonylContact O-C 3.53Å; I1095-W1106 WeakPolarHBondContact O-CA 3.31Å; M1096-W1106 HydrophobicContact CB-CD2 3.75Å; M1096-W1106 HydrophobicContact CB-CE3 3.52Å; M1096-W1106 HydrophobicContact CB-CG 4.39Å; M1096-W1106 HydrophobicContact CB-CH2 4.09Å; M1096-W1106 HydrophobicContact CB-CZ2 4.3Å; M1096-W1106 HydrophobicContact CB-CZ3 3.7Å; M1096-W1106 HydrophobicContact CE-CD2 4.03Å; M1096-W1106 HydrophobicContact CE-CG 4.01Å; M1096-W1106 HydrophobicContact CE-CZ2 4.2Å; M1096-W1106 VanDerWaalsContact CE-NE1 3.32Å; M1096-W1106 HydrophobicContact SD-CZ2 4.08Å |
| 1107 | T | 89.7 | Confident | 78.6 | Confident | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 164.3 | 173.6 | 64.6 | 0 | 0 | 0 | 0 | 112.8 | I939 S941 I944 Q1094 I1095 | I939-T1107 HydrophobicContact CB-CG2 3.65Å; I939-T1107 HydrophobicContact CG2-CG2 3.79Å; S941-T1107 VanDerWaalsContact OG-CA 3.3Å; S941-T1107 WeakPolarHBondContact OG-CA 3.35Å; S941-T1107 VanDerWaalsContact OG-CB 3.23Å; S941-T1107 WeakPolarHBondContact OG-CB 3.36Å; I944-T1107 HydrophobicContact CD1-CG2 3.94Å; I944-T1107 WeakPolarHBondContact CD1-OG1 3.33Å; Q1094-T1107 WeakPolarHBondContact CG-O 3.49Å; Q1094-T1107 PolarHBondContact NE2-O 3.48Å; I1095-T1107 HydrophobicContact CB-CG2 4.21Å; I1095-T1107 PolarHBondContact N-OG1 2.88Å; I1095-T1107 WeakPolarHBondContact O-CG2 3.27Å; I1095-T1107 PolarHBondContact O-N 3.2Å |
| 1108 | S | 87 | Confident | 76.2 | Confident | 62 Ų | 62 | 59.6 Ų | 59.6 | 43% | 0.434 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 151.5 | 170.1 | 70 | 0 | 0 | 0 | 0 | 112.3 | S941 K1110 | S941-S1108 WeakPolarHBondContact CB-OG 3.46Å; S941-S1108 PolarHBondContact OG-N 3.34Å; S1108-K1110 PolarHBondContact O-N 2.78Å |
| 1109 | V | 86 | Confident | 74 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 39% | 0.394 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 128.1 | -177.3 | -178.5 | 0 | 0 | 0 | 0 | 110.8 | E1092 F1093 Q1094 | E1092-V1109 HydrophobicContact CB-CG1 3.73Å; E1092-V1109 HydrophobicContact CG-CG1 4.08Å; F1093-V1109 WeakPolarHBondContact O-CA 3.44Å; Q1094-V1109 HydrophobicContact CG-CB 4.32Å; Q1094-V1109 HydrophobicContact CG-CG2 3.73Å |
| 1110 | K | 87.4 | Confident | 71.7 | Confident | 56 Ų | 56 | 71.2 Ų | 71.2 | 24% | 0.243 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 163.1 | 174.8 | -58.7 | -65.8 | 179.6 | 162.5 | 0 | 110 | S941 I944 E1092 F1093 S1108 | S941-K1110 WeakPolarHBondContact O-CE 3.37Å; S941-K1110 PolarHBondContact O-NZ 3.28Å; I944-K1110 HydrophobicContact CB-CG 4.42Å; I944-K1110 HydrophobicContact CD1-CG 4.06Å; I944-K1110 HydrophobicContact CG2-CG 4.21Å; E1092-K1110 CarbonylContact C-O 3.47Å; E1092-K1110 WeakPolarHBondContact CA-O 3.12Å; E1092-K1110 WeakPolarHBondContact CB-O 3.29Å; F1093-K1110 HydrophobicContact CD1-CB 3.87Å; F1093-K1110 HydrophobicContact CD2-CB 4.48Å; F1093-K1110 HydrophobicContact CE1-CB 3.37Å; F1093-K1110 HydrophobicContact CE1-CG 4.45Å; F1093-K1110 HydrophobicContact CE2-CB 4.03Å; F1093-K1110 HydrophobicContact CE2-CG 4.39Å; F1093-K1110 HydrophobicContact CG-CB 4.41Å; F1093-K1110 HydrophobicContact CZ-CB 3.46Å; F1093-K1110 VanDerWaalsContact CZ-CB 3.46Å; F1093-K1110 HydrophobicContact CZ-CG 4.09Å; F1093-K1110 PolarHBondContact N-O 3.24Å; F1093-K1110 PolarHBondContact O-N 2.86Å; S1108-K1110 PolarHBondContact O-N 2.78Å |
| 1111 | R | 85.9 | Confident | 70 | Confident | 165 Ų | 165 | 74.3 Ų | 74.3 | 62% | 0.623 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137 | 150.7 | -175.1 | -61 | -166.1 | 170.5 | 145.1 | -3.2 | 114.2 | Y1091 E1092 | Y1091-R1111 CarbonylContact O-C 3.6Å; Y1091-R1111 WeakPolarHBondContact O-CA 3.48Å; Y1091-R1111 WeakPolarHBondContact O-CB 3.48Å; E1092-R1111 HydrophobicContact CB-CG 3.71Å; E1092-R1111 IonicContact OE2-CZ 3.6Å; E1092-R1111 VanDerWaalsContact OE2-CZ 3.25Å; E1092-R1111 IonicContact OE2-NE 2.65Å; E1092-R1111 PolarHBondContact OE2-NE 3.46Å; E1092-R1111 IonicContact OE2-NH2 2.62Å; E1092-R1111 PolarHBondContact OE2-NH2 3.31Å |
| 1112 | F | 82.9 | Confident | 68.1 | Low | 14 Ų | 14 | 75.8 Ų | 75.8 | 6% | 0.061 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | -176.9 | 174 | 63.9 | -96.9 | 0 | 0 | 0 | 112.1 | L946 K1007 L1009 L1083 L1086 V1090 Y1091 F1093 V1114 | L946-F1112 HydrophobicContact CD1-CB 4.07Å; L946-F1112 HydrophobicContact CD1-CD1 4.29Å; L946-F1112 HydrophobicContact CD2-CB 3.5Å; L946-F1112 VanDerWaalsContact CD2-CB 3.5Å; L946-F1112 HydrophobicContact CD2-CG 4.26Å; L946-F1112 HydrophobicContact CG-CB 4.45Å; K1007-F1112 HydrophobicContact CG-CD2 4.15Å; K1007-F1112 HydrophobicContact CG-CE2 4.43Å; L1009-F1112 HydrophobicContact CD2-CD1 4.43Å; L1009-F1112 HydrophobicContact CD2-CE1 4.5Å; L1083-F1112 HydrophobicContact CD1-CE1 4.07Å; L1083-F1112 HydrophobicContact CD1-CZ 3.75Å; L1086-F1112 HydrophobicContact CD1-CE2 3.69Å; L1086-F1112 HydrophobicContact CD1-CZ 4Å; L1086-F1112 HydrophobicContact CD2-CE2 4.29Å; L1086-F1112 HydrophobicContact CD2-CZ 4.29Å; V1090-F1112 CarbonylContact C-O 3.4Å; V1090-F1112 WeakPolarHBondContact CA-O 3.48Å; V1090-F1112 WeakPolarHBondContact CG1-O 3.2Å; Y1091-F1112 VanDerWaalsContact CB-CE2 3.48Å; Y1091-F1112 VanDerWaalsContact CB-CZ 3.48Å; Y1091-F1112 HydrophobicContact CD1-CZ 4.41Å; Y1091-F1112 HydrophobicContact CD2-CD2 4.16Å; Y1091-F1112 AromaticContact CD2-CE2 3.63Å; Y1091-F1112 HydrophobicContact CD2-CE2 3.63Å; Y1091-F1112 HydrophobicContact CD2-CZ 4.3Å; Y1091-F1112 HydrophobicContact CG-CD2 4.32Å; Y1091-F1112 AromaticContact CG-CE2 3.62Å; Y1091-F1112 HydrophobicContact CG-CE2 3.62Å; Y1091-F1112 AromaticContact CG-CZ 3.83Å; Y1091-F1112 HydrophobicContact CG-CZ 3.83Å; Y1091-F1112 PolarHBondContact N-O 2.91Å; Y1091-F1112 PolarHBondContact O-N 3.46Å; F1093-F1112 AromaticContact CD1-CD1 3.6Å; F1093-F1112 HydrophobicContact CD1-CD1 3.6Å; F1093-F1112 AromaticContact CD1-CE1 3.65Å; F1093-F1112 HydrophobicContact CD1-CE1 3.65Å; F1093-F1112 AromaticContact CE1-CD1 3.78Å; F1093-F1112 HydrophobicContact CE1-CD1 3.78Å; F1093-F1112 HydrophobicContact CE1-CE1 4.18Å; F1093-F1112 HydrophobicContact CG-CE1 4.34Å; F1112-V1114 HydrophobicContact CD2-CG2 3.76Å; F1112-V1114 HydrophobicContact CE2-CG2 3.68Å |
| 1113 | K | 75.2 | Confident | 66.1 | Low | 139 Ų | 139 | 81.3 Ų | 81.3 | 60% | 0.604 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 144.5 | -178.4 | -171.5 | -178.1 | 178.4 | -178.8 | 0 | 113.7 | K1007 G1089 V1090 | K1007-K1113 WeakPolarHBondContact CE-O 3.45Å; G1089-K1113 CarbonylContact O-C 3.51Å; G1089-K1113 VanDerWaalsContact O-CA 3.27Å; G1089-K1113 WeakPolarHBondContact O-CA 3.18Å; G1089-K1113 WeakPolarHBondContact O-CG 3.48Å; V1090-K1113 HydrophobicContact CG2-CB 4.49Å; V1090-K1113 HydrophobicContact CG2-CD 4.29Å; V1090-K1113 HydrophobicContact CG2-CG 4.19Å |
| 1114 | V | 66.7 | Low | 63.8 | Low | 11 Ų | 11 | 82.5 Ų | 82.5 | 7% | 0.067 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | -172 | -176.9 | -144.4 | 0 | 0 | 0 | 0 | 113.4 | S1005 K1007 L1086 S1088 G1089 Y1091 F1112 | S1005-V1114 VanDerWaalsContact CB-CG1 3.44Å; K1007-V1114 HydrophobicContact CG-CG2 4.12Å; L1086-V1114 HydrophobicContact CB-CB 4.02Å; L1086-V1114 HydrophobicContact CB-CG1 3.99Å; L1086-V1114 HydrophobicContact CB-CG2 3.71Å; L1086-V1114 HydrophobicContact CD1-CG2 4.1Å; L1086-V1114 HydrophobicContact CG-CG2 4.48Å; L1086-V1114 VanDerWaalsContact O-CG1 3.29Å; L1086-V1114 WeakPolarHBondContact O-CG1 3.41Å; S1088-V1114 WeakPolarHBondContact CA-O 3.19Å; G1089-V1114 PolarHBondContact N-O 3.42Å; G1089-V1114 PolarHBondContact O-N 3.03Å; Y1091-V1114 HydrophobicContact CD2-CG2 3.93Å; Y1091-V1114 HydrophobicContact CE2-CB 4.33Å; Y1091-V1114 HydrophobicContact CE2-CG2 3.92Å; F1112-V1114 HydrophobicContact CD2-CG2 3.76Å; F1112-V1114 HydrophobicContact CE2-CG2 3.68Å |
| 1115 | L | 55.3 | Low | 61.9 | Low | 131 Ų | 131 | 89.2 Ų | 89.2 | 69% | 0.686 | 46% | 0.463 | S | S | * | . | trans | -143.2 | 158.6 | -167.3 | -58.6 | 173 | 0 | 0 | 0 | 111.6 | R1087 S1088 | R1087-L1115 CarbonylContact C-O 3.49Å; S1088-L1115 VanDerWaalsContact CA-CA 3.42Å; S1088-L1115 VanDerWaalsContact N-C 3.32Å; S1088-L1115 PolarHBondContact N-O 3.46Å | ||
| 1116 | D | 50.7 | Low | 59.5 | Low | 70 Ų | 70 | 94.4 Ų | 94.4 | 37% | 0.374 | 49% | 0.485 | S | S | . | . | trans | -112 | 149.9 | -147.7 | -129 | -50.6 | 0 | 0 | 0 | 122.7 | R1030 R1087 S1088 | R1030-D1116 IonicContact NH1-OD2 2.84Å; R1030-D1116 PolarHBondContact NH1-OD2 2.89Å; R1087-D1116 VanDerWaalsContact CB-OD1 3.25Å; R1087-D1116 WeakPolarHBondContact CB-OD1 3.41Å; R1087-D1116 VanDerWaalsContact CD-OD1 3.3Å; R1087-D1116 WeakPolarHBondContact CD-OD1 3.24Å; R1087-D1116 VanDerWaalsContact CG-OD1 3.25Å; R1087-D1116 WeakPolarHBondContact CG-OD1 3.12Å; S1088-D1116 VanDerWaalsContact CB-OD2 3.3Å; S1088-D1116 WeakPolarHBondContact CB-OD2 3.46Å; S1088-D1116 PolarHBondContact N-OD2 3.02Å; S1088-D1116 PolarHBondContact OG-OD2 3.02Å | ||
| 1117 | T | 42.9 | Very low | 57.6 | Low | 101 Ų | 101 | 96.5 Ų | 96.5 | 62% | 0.62 | 50% | 0.498 | S | S | * | . | trans | -167.2 | 162.3 | 161.6 | 30.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1118 | S | 38.7 | Very low | 55.6 | Low | 94 Ų | 94 | 104.1 Ų | 104.1 | 66% | 0.657 | 53% | 0.53 | S | S | * | . | trans | -163.1 | -176.9 | -172.8 | 65.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1119 | V | 38.8 | Very low | 53.9 | Low | 111 Ų | 111 | 110.4 Ų | 110.4 | 67% | 0.673 | 55% | 0.553 | S | S | * | * | cis | -160.2 | -150.9 | 14.6 | 87.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1120 | H | 36.6 | Very low | 52 | Low | 138 Ų | 138 | 114.6 Ų | 114.6 | 64% | 0.639 | 56% | 0.562 | S | S | * | * | trans | -104.4 | -161.2 | -164.5 | -39.7 | -67.3 | 0 | 0 | 0 | 118.4 | ||||
| 1121 | S | 39.6 | Very low | 50.5 | Low | 81 Ų | 81 | 119.6 Ų | 119.6 | 57% | 0.566 | 58% | 0.581 | S | S | * | * | cis | 179.4 | 170.3 | 11.5 | 33.3 | 0 | 0 | 0 | 0 | 112.4 | F990 | F990-S1121 WeakPolarHBondContact CZ-O 3.35Š| ||
| 1122 | T | 40.5 | Very low | 49.4 | Very low | 72 Ų | 72 | 119 Ų | 119 | 44% | 0.442 | 59% | 0.588 | S | S | . | * | cis | -172.9 | 175.3 | -14.9 | 37.5 | 0 | 0 | 0 | 0 | 117.7 | S988 Q989 F990 | S988-T1122 WeakPolarHBondContact OG-CG2 3.34Å; Q989-T1122 CarbonylContact O-C 3.53Å; Q989-T1122 VanDerWaalsContact O-CA 3.27Å; Q989-T1122 WeakPolarHBondContact O-CA 3.43Å; F990-T1122 WeakPolarHBondContact CD1-O 3.44Å; F990-T1122 WeakPolarHBondContact CE1-O 3.34Å | ||
| 1123 | W | 38.2 | Very low | 48.3 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 55% | 0.553 | 62% | 0.621 | S | S | * | * | trans | -94.9 | -178.1 | -158.1 | -158.1 | 52 | 0 | 0 | 0 | 125 | Q989 | Q989-W1123 HydrophobicContact CB-CB 3.74Å; Q989-W1123 HydrophobicContact CB-CD2 3.78Å; Q989-W1123 HydrophobicContact CB-CE3 4.32Å; Q989-W1123 HydrophobicContact CB-CG 3.52Å; Q989-W1123 HydrophobicContact CG-CD2 4.33Å; Q989-W1123 HydrophobicContact CG-CE3 4.49Å; Q989-W1123 VanDerWaalsContact NE2-CZ3 3.27Å; Q989-W1123 WeakPolarHBondContact O-CB 3.49Å; Q989-W1123 PolarHBondContact O-N 3.32Å | ||
| 1124 | D | 37.6 | Very low | 47.7 | Very low | 128 Ų | 128 | 124.3 Ų | 124.3 | 68% | 0.684 | 62% | 0.622 | S | S | * | * | trans | -161.9 | 173.4 | 167.2 | -156 | 1.3 | 0 | 0 | 0 | 117.3 | ||||
| 1125 | F | 41.7 | Very low | 47.8 | Very low | 150 Ų | 150 | 130.7 Ų | 130.7 | 66% | 0.658 | 65% | 0.654 | S | S | * | * | trans | 118.9 | 87.1 | 158.3 | -157.1 | -100.2 | 0 | 0 | 0 | 120.8 | E1127 | F1125-E1127 HydrophobicContact CE1-CB 4.24Å; F1125-E1127 HydrophobicContact CE2-CB 4.11Å; F1125-E1127 HydrophobicContact CE2-CG 4.38Å; F1125-E1127 HydrophobicContact CZ-CB 3.79Å; F1125-E1127 HydrophobicContact CZ-CG 4.36Å; F1125-E1127 WeakPolarHBondContact CZ-OE2 3.15Å | ||
| 1126 | L | 39.9 | Very low | 48.6 | Very low | 172 Ų | 172 | 127.3 Ų | 127.3 | 90% | 0.901 | 65% | 0.651 | S | S | * | * | trans | -107.6 | 147.4 | 153.5 | -81 | 154.5 | 0 | 0 | 0 | 108.8 | ||||
| 1127 | E | 47.7 | Very low | 49.7 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 55% | 0.547 | 67% | 0.669 | S | S | . | * | trans | -153.9 | -46.9 | 172.9 | -145.6 | -162 | 156.1 | 0 | 0 | 119.1 | F1125 | F1125-E1127 HydrophobicContact CE1-CB 4.24Å; F1125-E1127 HydrophobicContact CE2-CB 4.11Å; F1125-E1127 HydrophobicContact CE2-CG 4.38Å; F1125-E1127 HydrophobicContact CZ-CB 3.79Å; F1125-E1127 HydrophobicContact CZ-CG 4.36Å; F1125-E1127 WeakPolarHBondContact CZ-OE2 3.15Å | ||
| 1128 | K | 47.7 | Very low | 51.2 | Low | 163 Ų | 163 | 133.8 Ų | 133.8 | 71% | 0.709 | 67% | 0.673 | S | S | * | * | trans | -117 | 123.2 | -154.5 | -84.7 | 152 | 178.8 | 147 | 0 | 117.2 | ||||
| 1129 | H | 51.1 | Low | 53.1 | Low | 195 Ų | 195 | 137 Ų | 137 | 90% | 0.903 | 68% | 0.676 | S | S | * | * | trans | -131.8 | 150.2 | 166.4 | -77.1 | 23.6 | 0 | 0 | 0 | 108 | ||||
| 1130 | Y | 47.5 | Very low | 54.7 | Low | 152 Ų | 152 | 137.3 Ų | 137.3 | 60% | 0.596 | 67% | 0.674 | S | S | * | * | trans | -154.7 | -55.3 | -169 | 162.7 | -149.3 | 0 | 0 | 0 | 117.2 | I1132 L1133 | Y1130-I1132 VanDerWaalsContact C-N 3.28Å; Y1130-I1132 PolarHBondContact O-N 3.09Å; Y1130-L1133 HydrophobicContact CE2-CD1 4.39Å | ||
| 1131 | Y | 55.1 | Low | 56.6 | Low | 161 Ų | 161 | 136.9 Ų | 136.9 | 63% | 0.631 | 68% | 0.675 | S | S | * | * | trans | -73.5 | 33.9 | -154.1 | -82 | -73.7 | 0 | 0 | 0 | 119.6 | L1133 I1134 | Y1131-L1133 PolarHBondContact O-N 3.08Å; Y1131-L1133 VanDerWaalsContact O-N 3.13Å; Y1131-I1134 HydrophobicContact CD1-CD1 4.2Å | ||
| 1132 | I | 62.8 | Low | 58.2 | Low | 152 Ų | 152 | 138.6 Ų | 138.6 | 78% | 0.779 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -62.4 | -19.8 | 179.1 | -69.6 | 172.8 | 0 | 0 | 0 | 113.5 | Y1130 I1134 | Y1130-I1132 VanDerWaalsContact C-N 3.28Å; Y1130-I1132 PolarHBondContact O-N 3.09Å; I1132-I1134 PolarHBondContact O-N 3.13Å |
| 1133 | L | 59.4 | Low | 59.9 | Low | 144 Ų | 144 | 141.3 Ų | 141.3 | 75% | 0.754 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -71.3 | -16.5 | -169.2 | -67.4 | 169 | 0 | 0 | 0 | 116.5 | Y1130 Y1131 I1135 | Y1130-L1133 HydrophobicContact CE2-CD1 4.39Å; Y1131-L1133 PolarHBondContact O-N 3.08Å; Y1131-L1133 VanDerWaalsContact O-N 3.13Å; L1133-I1135 PolarHBondContact O-N 2.85Å |
| 1134 | I | 64.2 | Low | 61.6 | Low | 122 Ų | 122 | 141.6 Ų | 141.6 | 63% | 0.626 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -72.6 | -26.1 | -167.3 | -66.1 | 175.1 | 0 | 0 | 0 | 113.4 | Y1131 I1132 G1136 | Y1131-I1134 HydrophobicContact CD1-CD1 4.2Å; I1132-I1134 PolarHBondContact O-N 3.13Å; I1134-G1136 PolarHBondContact O-N 2.89Å |
| 1135 | I | 67.3 | Low | 63.2 | Low | 144 Ų | 144 | 139.3 Ų | 139.3 | 74% | 0.738 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -71.1 | -28 | -164 | -64.8 | 173 | 0 | 0 | 0 | 113.6 | L1133 F1137 | L1133-I1135 PolarHBondContact O-N 2.85Å; I1135-F1137 PolarHBondContact O-N 2.78Å |
| 1136 | G | 73.4 | Confident | 64.8 | Low | 61 Ų | 61 | 138 Ų | 138 | 63% | 0.629 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -70.4 | -20.5 | -168.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | I1134 | I1134-G1136 PolarHBondContact O-N 2.89Š|
| 1137 | F | 73.5 | Confident | 66.5 | Low | 171 Ų | 171 | 133.5 Ų | 133.5 | 75% | 0.75 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -77.4 | -30.9 | -168.1 | -169.8 | -104.4 | 0 | 0 | 0 | 114.3 | I1135 F1139 | I1135-F1137 PolarHBondContact O-N 2.78Å; F1137-F1139 VanDerWaalsContact C-N 3.32Å; F1137-F1139 PolarHBondContact O-N 3.14Å |
| 1138 | L | 73.9 | Confident | 67.7 | Low | 135 Ų | 135 | 131.7 Ų | 131.7 | 71% | 0.707 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -71.9 | -18.1 | -166.9 | -70.2 | 168.4 | 0 | 0 | 0 | 115.1 | N1140 | L1138-N1140 PolarHBondContact O-N 3.34Š|
| 1139 | F | 77.8 | Confident | 68.9 | Low | 163 Ų | 163 | 128.9 Ų | 128.9 | 72% | 0.715 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -72.3 | -32 | -167.1 | -164.4 | -103.6 | 0 | 0 | 0 | 114.4 | F1137 I1141 | F1137-F1139 VanDerWaalsContact C-N 3.32Å; F1137-F1139 PolarHBondContact O-N 3.14Å; F1139-I1141 PolarHBondContact O-N 3.06Å |
| 1140 | N | 72.5 | Confident | 69.8 | Low | 117 Ų | 117 | 124.6 Ų | 124.6 | 63% | 0.626 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -75.8 | -24.1 | -166.6 | -75.3 | -68.2 | 0 | 0 | 0 | 115.4 | L1138 I1142 | L1138-N1140 PolarHBondContact O-N 3.34Å; N1140-I1142 VanDerWaalsContact C-N 3.3Å; N1140-I1142 PolarHBondContact O-N 3.07Å |
| 1141 | I | 76.5 | Confident | 70.9 | Confident | 129 Ų | 129 | 123.9 Ų | 123.9 | 66% | 0.662 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -70.9 | -26.2 | -172.8 | -67.9 | 177.5 | 0 | 0 | 0 | 112.3 | F1139 L1143 | F1139-I1141 PolarHBondContact O-N 3.06Å; I1141-L1143 VanDerWaalsContact C-N 3.35Å; I1141-L1143 PolarHBondContact O-N 3.04Å |
| 1142 | I | 73.9 | Confident | 71.4 | Confident | 117 Ų | 117 | 124.4 Ų | 124.4 | 60% | 0.6 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -70.4 | -28.3 | -170 | -63.2 | 174.4 | 0 | 0 | 0 | 112.7 | N1140 L1144 S1145 | N1140-I1142 VanDerWaalsContact C-N 3.3Å; N1140-I1142 PolarHBondContact O-N 3.07Å; I1142-L1144 PolarHBondContact O-N 3.37Å; I1142-S1145 PolarHBondContact O-OG 2.95Å |
| 1143 | L | 76.6 | Confident | 71.2 | Confident | 128 Ų | 128 | 124.7 Ų | 124.7 | 67% | 0.67 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -71.1 | -29.8 | -171.9 | -94.6 | 161.8 | 0 | 0 | 0 | 115.1 | I1141 | I1141-L1143 VanDerWaalsContact C-N 3.35Å; I1141-L1143 PolarHBondContact O-N 3.04Å |
| 1144 | L | 74.1 | Confident | 71.4 | Confident | 153 Ų | 153 | 129.3 Ų | 129.3 | 80% | 0.801 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -79.6 | -23.8 | -171.4 | -83.5 | 163.6 | 0 | 0 | 0 | 114.4 | I1142 | I1142-L1144 PolarHBondContact O-N 3.37Š|
| 1145 | S | 71.6 | Confident | 71.3 | Confident | 80 Ų | 80 | 130.5 Ų | 130.5 | 56% | 0.559 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -75.6 | -24.9 | -171.8 | 61.1 | 0 | 0 | 0 | 0 | 114.2 | I1142 | I1142-S1145 PolarHBondContact O-OG 2.95Š|
| 1146 | L | 73.7 | Confident | 70.9 | Confident | 122 Ų | 122 | 129.2 Ų | 129.2 | 64% | 0.639 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -74.1 | -29.6 | -171.8 | -69 | 169.7 | 0 | 0 | 0 | 113.9 | A1148 | L1146-A1148 PolarHBondContact O-N 2.79Š|
| 1147 | A | 75.9 | Confident | 69.6 | Low | 77 Ų | 77 | 135.6 Ų | 135.6 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -68.4 | -31.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1149 | A1147-V1149 PolarHBondContact O-N 3.24Š|
| 1148 | A | 73.7 | Confident | 68.6 | Low | 79 Ų | 79 | 136.4 Ų | 136.4 | 65% | 0.653 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -69.9 | -29.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1146 C1150 | L1146-A1148 PolarHBondContact O-N 2.79Å; A1148-C1150 VanDerWaalsContact C-N 3.28Å; A1148-C1150 PolarHBondContact O-N 3.22Å |
| 1149 | V | 72 | Confident | 67.4 | Low | 104 Ų | 104 | 141.8 Ų | 141.8 | 63% | 0.63 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -69.9 | -22.9 | -169.3 | -177.7 | 0 | 0 | 0 | 0 | 113 | A1147 I1151 | A1147-V1149 PolarHBondContact O-N 3.24Å; V1149-I1151 PolarHBondContact O-N 3.39Å |
| 1150 | C | 70.9 | Confident | 65.8 | Low | 106 Ų | 106 | 141.1 Ų | 141.1 | 72% | 0.716 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -75.1 | -21.1 | -171.5 | -67 | 0 | 0 | 0 | 0 | 115.3 | A1148 | A1148-C1150 VanDerWaalsContact C-N 3.28Å; A1148-C1150 PolarHBondContact O-N 3.22Å |
| 1151 | I | 70.1 | Confident | 64.6 | Low | 137 Ų | 137 | 142.9 Ų | 142.9 | 70% | 0.703 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -82.4 | -41.2 | -167.3 | -64.1 | 177.2 | 0 | 0 | 0 | 112.7 | V1149 R1153 | V1149-I1151 PolarHBondContact O-N 3.39Å; I1151-R1153 PolarHBondContact O-N 3.42Å |
| 1152 | E | 65.7 | Low | 63 | Low | 171 Ų | 171 | 144 Ų | 144 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -71.4 | -29.9 | -164.3 | -162.4 | 178.1 | -138.8 | 0 | 0 | 114.2 | R1154 | E1152-R1154 PolarHBondContact O-N 3.29Š|
| 1153 | R | 58.4 | Low | 61.5 | Low | 158 Ų | 158 | 147.1 Ų | 147.1 | 60% | 0.596 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -63.4 | -13 | -174.6 | -79.5 | 179.1 | 160.5 | -141.6 | -7.4 | 115.1 | D57 S85 I1151 I1155 | D57-R1153 IonicContact OD2-CZ 2.71Å; D57-R1153 IonicContact OD2-NH1 3.77Å; D57-R1153 PolarHBondContact OD2-NH1 2.9Å; D57-R1153 IonicContact OD2-NH2 3.11Å; S85-R1153 PolarHBondContact OG-NH2 3.47Å; I1151-R1153 PolarHBondContact O-N 3.42Å; R1153-I1155 PolarHBondContact O-N 2.88Å |
| 1154 | R | 64.3 | Low | 59.7 | Low | 242 Ų | 242 | 143.3 Ų | 143.3 | 91% | 0.913 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -80.7 | -11.1 | -166.4 | -133.6 | 174.4 | -171.4 | 175.4 | 3.1 | 116 | E1152 | E1152-R1154 PolarHBondContact O-N 3.29Š|
| 1155 | I | 62.3 | Low | 58.1 | Low | 147 Ų | 147 | 145.6 Ų | 145.6 | 75% | 0.754 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -98.2 | -29.4 | -162 | -65.6 | 175.5 | 0 | 0 | 0 | 115 | R1153 R1157 | R1153-I1155 PolarHBondContact O-N 2.88Å; I1155-R1157 PolarHBondContact O-N 3.03Å |
| 1156 | S | 58.3 | Low | 56.8 | Low | 116 Ų | 116 | 151.1 Ų | 151.1 | 81% | 0.811 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -85.2 | -9.2 | -154.6 | -152.1 | 0 | 0 | 0 | 0 | 117.9 | K1158 | S1156-K1158 PolarHBondContact O-N 2.94Š|
| 1157 | R | 45.2 | Very low | 55.7 | Low | 196 Ų | 196 | 146.3 Ų | 146.3 | 74% | 0.74 | 70% | 0.701 | S | S | * | * | trans | -85.4 | 9.5 | -163.1 | -67.3 | -169.8 | 179.1 | -144.4 | -0.8 | 118 | D56 I1155 | D56-R1157 IonicContact OD2-CZ 2.72Å; D56-R1157 IonicContact OD2-NH1 3.42Å; D56-R1157 PolarHBondContact OD2-NH1 2.96Å; D56-R1157 IonicContact OD2-NH2 2.76Å; D56-R1157 PolarHBondContact OD2-NH2 3.47Å; I1155-R1157 PolarHBondContact O-N 3.03Å | ||
| 1158 | K | 54.2 | Low | 54.5 | Low | 187 Ų | 187 | 148.3 Ų | 148.3 | 81% | 0.813 | 70% | 0.698 | S | S | * | * | trans | -103.7 | 12.3 | -152.4 | -125.5 | -178.7 | -174.3 | -177.3 | 0 | 120 | S1156 | S1156-K1158 PolarHBondContact O-N 2.94Š| ||
| 1159 | R | 47.1 | Very low | 53.4 | Low | 249 Ų | 249 | 151.9 Ų | 151.9 | 94% | 0.94 | 70% | 0.701 | S | S | * | * | trans | -134 | 119.3 | -172.4 | -66.7 | -174.8 | 179.4 | 167.4 | 0.7 | 116.6 | ||||
| 1160 | L | 45.1 | Very low | 52.4 | Low | 148 Ų | 148 | 152.1 Ų | 152.1 | 78% | 0.775 | 69% | 0.69 | S | S | * | * | trans | -71.6 | -173.1 | -179.4 | -76.9 | 70.6 | 0 | 0 | 0 | 113.9 | ||||
| 1161 | Q | 46.1 | Very low | 51.8 | Low | 155 Ų | 155 | 147.7 Ų | 147.7 | 72% | 0.724 | 66% | 0.659 | S | S | * | * | cis | 172 | 149.7 | -42.5 | -89.5 | 170 | -17.4 | 0 | 0 | 107.3 | ||||
| 1162 | N | 44.4 | Very low | 51.5 | Low | 152 Ų | 152 | 141.9 Ų | 141.9 | 81% | 0.813 | 63% | 0.629 | S | S | * | * | trans | 79 | 162.4 | 174.1 | -59.5 | -74.1 | 0 | 0 | 0 | 117.7 | ||||
| 1163 | K | 42 | Very low | 51.3 | Low | 183 Ų | 183 | 136.7 Ų | 136.7 | 80% | 0.796 | 62% | 0.616 | S | S | * | * | cis | -178 | 134.6 | -27.7 | 171.9 | -173.1 | 172.5 | -169.7 | 0 | 111 | ||||
| 1164 | P | 39.7 | Very low | 51.4 | Low | 47 Ų | 47 | 133.6 Ų | 133.6 | 31% | 0.305 | 61% | 0.611 | S | S | . | * | trans | -117.2 | 150.4 | 178.9 | 39.6 | -30.4 | 0 | 0 | 0 | 116.8 | I808 K809 | I808-P1164 HydrophobicContact CG2-CG 4.01Å; K809-P1164 HydrophobicContact CD-CB 4.13Å; K809-P1164 HydrophobicContact CD-CG 4.19Å | ||
| 1165 | W | 39.5 | Very low | 51.4 | Low | 202 Ų | 202 | 122.4 Ų | 122.4 | 77% | 0.765 | 57% | 0.57 | S | S | * | * | trans | 171.3 | 27.5 | 150.1 | -119 | 85 | 0 | 0 | 0 | 114.1 | I808 D1167 | I808-W1165 VanDerWaalsContact CD1-NE1 3.3Å; W1165-D1167 VanDerWaalsContact C-OD1 3.28Å; W1165-D1167 VanDerWaalsContact CA-CG 3.43Å; W1165-D1167 WeakPolarHBondContact CA-OD1 3.31Å; W1165-D1167 PolarHBondContact N-OD1 3.4Å; W1165-D1167 PolarHBondContact O-N 3.48Å | ||
| 1166 | R | 43.5 | Very low | 51.8 | Low | 195 Ų | 195 | 117.6 Ų | 117.6 | 74% | 0.736 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -88.1 | 24.5 | 175.8 | -168.1 | 174.9 | -102.3 | -157.8 | -5.9 | 111.4 | W1170 | R1166-W1170 HydrophobicContact CB-CB 3.98Å; R1166-W1170 HydrophobicContact CB-CD2 4.18Å; R1166-W1170 HydrophobicContact CB-CE3 4.36Å; R1166-W1170 HydrophobicContact CB-CG 4.05Å; R1166-W1170 HydrophobicContact CG-CB 4.28Å; R1166-W1170 HydrophobicContact CG-CE3 4.26Å; R1166-W1170 WeakPolarHBondContact O-CB 3.42Å |
| 1167 | D | 52.5 | Low | 52.5 | Low | 21 Ų | 21 | 112.2 Ų | 112.2 | 11% | 0.112 | 52% | 0.519 | C | S | . | . | T | Hydrogen-bonded Turn | -92.1 | -19.5 | -102.3 | -114.1 | 39.3 | 0 | 0 | 0 | 117.6 | K809 W1165 W1170 E1171 | K809-D1167 IonicContact NZ-OD2 2.64Å; K809-D1167 PolarHBondContact NZ-OD2 2.79Å; W1165-D1167 VanDerWaalsContact C-OD1 3.28Å; W1165-D1167 VanDerWaalsContact CA-CG 3.43Å; W1165-D1167 WeakPolarHBondContact CA-OD1 3.31Å; W1165-D1167 PolarHBondContact N-OD1 3.4Å; W1165-D1167 PolarHBondContact O-N 3.48Å; D1167-W1170 CarbonylContact O-C 3.47Å; D1167-E1171 WeakPolarHBondContact O-CG 3.28Å; D1167-E1171 PolarHBondContact O-N 3.45Å | |
| 1168 | E | 48.9 | Very low | 54.2 | Low | 119 Ų | 119 | 105 Ų | 105 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | -47.5 | -173.1 | -69.6 | -175.6 | 163.7 | 0 | 0 | 114.5 | W1170 E1171 L1172 M1261 | E1168-W1170 PolarHBondContact O-N 3.47Å; E1168-E1171 WeakPolarHBondContact O-CA 3.44Å; E1168-E1171 PolarHBondContact O-N 2.85Å; E1168-L1172 PolarHBondContact O-N 3.02Å; E1168-M1261 HydrophobicContact CG-CE 4.32Å |
| 1169 | E | 51.4 | Low | 55.4 | Low | 154 Ų | 154 | 101.6 Ų | 101.6 | 72% | 0.72 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.3 | -30 | 164.7 | -169.2 | 175.6 | -135.6 | 0 | 0 | 110.1 | L1172 A1173 | E1169-L1172 WeakPolarHBondContact O-CB 3.41Å; E1169-A1173 PolarHBondContact O-N 2.75Å |
| 1170 | W | 52 | Low | 57.2 | Low | 109 Ų | 109 | 94.9 Ų | 94.9 | 41% | 0.413 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -75.6 | -22.7 | 168.9 | -176.7 | -91.6 | 0 | 0 | 0 | 113.9 | R1166 D1167 E1168 N1174 | R1166-W1170 HydrophobicContact CB-CB 3.98Å; R1166-W1170 HydrophobicContact CB-CD2 4.18Å; R1166-W1170 HydrophobicContact CB-CE3 4.36Å; R1166-W1170 HydrophobicContact CB-CG 4.05Å; R1166-W1170 HydrophobicContact CG-CB 4.28Å; R1166-W1170 HydrophobicContact CG-CE3 4.26Å; R1166-W1170 WeakPolarHBondContact O-CB 3.42Å; D1167-W1170 CarbonylContact O-C 3.47Å; E1168-W1170 PolarHBondContact O-N 3.47Å; W1170-N1174 PolarHBondContact NE1-ND2 3.28Å; W1170-N1174 PolarHBondContact NE1-OD1 2.89Å; W1170-N1174 VanDerWaalsContact O-CB 3.24Å; W1170-N1174 WeakPolarHBondContact O-CB 3.46Å; W1170-N1174 PolarHBondContact O-N 3.09Å; W1170-N1174 PolarHBondContact O-ND2 3.31Å; W1170-N1174 PolarHBondContact O-OD1 3.23Å |
| 1171 | E | 58.3 | Low | 59.2 | Low | 14 Ų | 14 | 88.8 Ų | 88.8 | 7% | 0.065 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -73.8 | -39.5 | 168.7 | -64.5 | -44.7 | -161.1 | 0 | 0 | 110.1 | K809 D1167 E1168 A1173 N1174 A1175 R1265 | K809-E1171 WeakPolarHBondContact CE-OE1 3.31Å; K809-E1171 IonicContact NZ-OE1 3.9Å; K809-E1171 PolarHBondContact NZ-OE1 3Å; K809-E1171 IonicContact NZ-OE2 2.82Å; K809-E1171 PolarHBondContact NZ-OE2 3.04Å; D1167-E1171 WeakPolarHBondContact O-CG 3.28Å; D1167-E1171 PolarHBondContact O-N 3.45Å; E1168-E1171 WeakPolarHBondContact O-CA 3.44Å; E1168-E1171 PolarHBondContact O-N 2.85Å; E1171-A1173 VanDerWaalsContact C-N 3.3Å; E1171-A1173 PolarHBondContact O-N 2.88Å; E1171-N1174 PolarHBondContact O-N 3.36Å; E1171-N1174 PolarHBondContact OE2-ND2 2.74Å; E1171-A1175 VanDerWaalsContact O-CB 3.24Å; E1171-A1175 WeakPolarHBondContact O-CB 3.5Å; E1171-A1175 PolarHBondContact O-N 3.36Å; E1171-R1265 IonicContact OE1-CZ 3.67Å; E1171-R1265 VanDerWaalsContact OE1-CZ 3.25Å; E1171-R1265 IonicContact OE1-NE 3.49Å; E1171-R1265 PolarHBondContact OE1-NE 3.43Å; E1171-R1265 IonicContact OE1-NH2 3.01Å; E1171-R1265 PolarHBondContact OE1-NH2 3.39Å |
| 1172 | L | 62.7 | Low | 61.2 | Low | 14 Ų | 14 | 83.6 Ų | 83.6 | 7% | 0.073 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -56 | -45.7 | 169.9 | -98.3 | 162.3 | 0 | 0 | 0 | 111 | E1168 E1169 A1175 G1176 I1177 Y1268 L1290 | E1168-L1172 PolarHBondContact O-N 3.02Å; E1169-L1172 WeakPolarHBondContact O-CB 3.41Å; L1172-A1175 CarbonylContact O-C 3.48Å; L1172-A1175 PolarHBondContact O-N 2.99Å; L1172-G1176 PolarHBondContact O-N 3.1Å; L1172-I1177 HydrophobicContact CD2-CB 3.86Å; L1172-I1177 HydrophobicContact CD2-CG2 3.7Å; L1172-I1177 PolarHBondContact O-N 3.41Å; L1172-Y1268 HydrophobicContact CD1-CE1 4.45Å; L1172-Y1268 HydrophobicContact CD2-CD1 4.17Å; L1172-Y1268 HydrophobicContact CD2-CE1 3.63Å; L1172-Y1268 HydrophobicContact CG-CD1 4.39Å; L1172-Y1268 HydrophobicContact CG-CE1 3.69Å; L1172-L1290 HydrophobicContact CD1-CD1 4.43Å |
| 1173 | A | 61.5 | Low | 63.3 | Low | 62 Ų | 62 | 76.4 Ų | 76.4 | 51% | 0.512 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68.8 | -40 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | E1169 E1171 A1175 G1176 | E1169-A1173 PolarHBondContact O-N 2.75Å; E1171-A1173 VanDerWaalsContact C-N 3.3Å; E1171-A1173 PolarHBondContact O-N 2.88Å; A1173-A1175 VanDerWaalsContact C-N 3.26Å; A1173-A1175 PolarHBondContact O-N 3.26Å; A1173-G1176 PolarHBondContact O-N 3.4Å |
| 1174 | N | 61.4 | Low | 65.4 | Low | 93 Ų | 93 | 70.4 Ų | 70.4 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.5 | -36.4 | 174 | -74.3 | -31.4 | 0 | 0 | 0 | 111.4 | W1170 E1171 G1176 | W1170-N1174 PolarHBondContact NE1-ND2 3.28Å; W1170-N1174 PolarHBondContact NE1-OD1 2.89Å; W1170-N1174 VanDerWaalsContact O-CB 3.24Å; W1170-N1174 WeakPolarHBondContact O-CB 3.46Å; W1170-N1174 PolarHBondContact O-N 3.09Å; W1170-N1174 PolarHBondContact O-ND2 3.31Å; W1170-N1174 PolarHBondContact O-OD1 3.23Å; E1171-N1174 PolarHBondContact O-N 3.36Å; E1171-N1174 PolarHBondContact OE2-ND2 2.74Å; N1174-G1176 PolarHBondContact O-N 2.58Å |
| 1175 | A | 62.6 | Low | 67.6 | Low | 7 Ų | 7 | 71.3 Ų | 71.3 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -0 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | E1171 L1172 A1173 I1177 S1272 | E1171-A1175 VanDerWaalsContact O-CB 3.24Å; E1171-A1175 WeakPolarHBondContact O-CB 3.5Å; E1171-A1175 PolarHBondContact O-N 3.36Å; L1172-A1175 CarbonylContact O-C 3.48Å; L1172-A1175 PolarHBondContact O-N 2.99Å; A1173-A1175 VanDerWaalsContact C-N 3.26Å; A1173-A1175 PolarHBondContact O-N 3.26Å; A1175-I1177 HydrophobicContact CB-CD1 3.81Å; A1175-I1177 HydrophobicContact CB-CG1 4.31Å; A1175-I1177 PolarHBondContact O-N 3.09Å; A1175-S1272 WeakPolarHBondContact O-CB 3.48Å; A1175-S1272 PolarHBondContact O-OG 3.49Å |
| 1176 | G | 70.6 | Confident | 69.8 | Low | 46 Ų | 46 | 68.9 Ų | 68.9 | 47% | 0.474 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 18.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1172 A1173 N1174 S1178 K1275 | L1172-G1176 PolarHBondContact O-N 3.1Å; A1173-G1176 PolarHBondContact O-N 3.4Å; N1174-G1176 PolarHBondContact O-N 2.58Å; G1176-S1178 PolarHBondContact O-N 2.81Å; G1176-K1275 PolarHBondContact O-NZ 3.2Å |
| 1177 | I | 74.7 | Confident | 71.8 | Confident | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.015 | 33% | 0.331 | C | S | . | . | trans | -94.1 | 91.4 | -178.2 | -62.5 | 156.5 | 0 | 0 | 0 | 108.1 | L1172 A1175 W1181 Y1268 A1271 K1275 I1288 | L1172-I1177 HydrophobicContact CD2-CB 3.86Å; L1172-I1177 HydrophobicContact CD2-CG2 3.7Å; L1172-I1177 PolarHBondContact O-N 3.41Å; A1175-I1177 HydrophobicContact CB-CD1 3.81Å; A1175-I1177 HydrophobicContact CB-CG1 4.31Å; A1175-I1177 PolarHBondContact O-N 3.09Å; I1177-W1181 HydrophobicContact CG2-CB 4.17Å; I1177-Y1268 HydrophobicContact CD1-CD1 4.2Å; I1177-A1271 HydrophobicContact CD1-CB 3.8Å; I1177-K1275 HydrophobicContact CG1-CD 4.39Å; I1177-I1288 HydrophobicContact CD1-CD1 3.82Å; I1177-I1288 HydrophobicContact CG2-CD1 4.26Å | ||
| 1178 | S | 79.7 | Confident | 73.5 | Confident | 45 Ų | 45 | 60.8 Ų | 60.8 | 32% | 0.315 | 33% | 0.328 | S | S | . | . | trans | -59.6 | 146.3 | 170.5 | 31.9 | 0 | 0 | 0 | 0 | 112.4 | G1176 E1180 W1181 K1275 | G1176-S1178 PolarHBondContact O-N 2.81Å; S1178-E1180 WeakPolarHBondContact CB-OE1 3.47Å; S1178-E1180 PolarHBondContact O-N 2.78Å; S1178-E1180 PolarHBondContact OG-OE1 3.39Å; S1178-W1181 PolarHBondContact O-N 3.38Å; S1178-K1275 PolarHBondContact OG-NZ 3.47Å | ||
| 1179 | N | 79.3 | Confident | 75.3 | Confident | 115 Ų | 115 | 58.8 Ų | 58.8 | 62% | 0.615 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -57.6 | -22 | -174.8 | -62.2 | 11.3 | 0 | 0 | 0 | 114.4 | W1181 I1182 | N1179-W1181 PolarHBondContact O-N 3.09Å; N1179-I1182 HydrophobicContact CB-CD1 4.27Å; N1179-I1182 WeakPolarHBondContact O-CB 3.1Å; N1179-I1182 PolarHBondContact O-N 3.03Å; N1179-I1182 VanDerWaalsContact O-N 3.07Å |
| 1180 | E | 85.6 | Confident | 77.1 | Confident | 109 Ų | 109 | 52.8 Ų | 52.8 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -58.5 | -20.6 | 171.8 | 73.6 | -165.5 | 159.1 | 0 | 0 | 113.9 | S1178 T1214 P1215 | S1178-E1180 WeakPolarHBondContact CB-OE1 3.47Å; S1178-E1180 PolarHBondContact O-N 2.78Å; S1178-E1180 PolarHBondContact OG-OE1 3.39Å; E1180-T1214 WeakPolarHBondContact O-CA 3.41Å; E1180-T1214 WeakPolarHBondContact O-CG2 3.29Å; E1180-P1215 HydrophobicContact CB-CG 4.48Å; E1180-P1215 HydrophobicContact CG-CG 3.89Å; E1180-P1215 WeakPolarHBondContact O-CD 3.44Å |
| 1181 | W | 87.8 | Confident | 78.7 | Confident | 19 Ų | 19 | 50.2 Ų | 50.2 | 7% | 0.072 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -91.6 | 2.8 | 177.5 | -66.7 | 85.2 | 0 | 0 | 0 | 113.2 | I1177 S1178 N1179 P1215 A1216 K1275 F1285 G1287 I1288 | I1177-W1181 HydrophobicContact CG2-CB 4.17Å; S1178-W1181 PolarHBondContact O-N 3.38Å; N1179-W1181 PolarHBondContact O-N 3.09Å; W1181-P1215 HydrophobicContact CD2-CG 4.38Å; W1181-P1215 HydrophobicContact CH2-CB 4Å; W1181-P1215 HydrophobicContact CH2-CG 4.47Å; W1181-P1215 HydrophobicContact CZ2-CB 3.67Å; W1181-P1215 HydrophobicContact CZ2-CG 3.81Å; W1181-A1216 HydrophobicContact CZ3-CB 4.17Å; W1181-K1275 VanDerWaalsContact CD1-NZ 3.29Å; W1181-K1275 HydrophobicContact CD2-CD 4.13Å; W1181-K1275 HydrophobicContact CD2-CG 4.27Å; W1181-K1275 HydrophobicContact CG-CD 4.17Å; W1181-K1275 HydrophobicContact CH2-CG 4.41Å; W1181-K1275 HydrophobicContact CZ2-CD 4.48Å; W1181-K1275 HydrophobicContact CZ2-CG 4.09Å; W1181-F1285 HydrophobicContact CB-CE1 4.42Å; W1181-F1285 HydrophobicContact CD2-CE1 4.12Å; W1181-F1285 AromaticContact CE3-CD1 3.62Å; W1181-F1285 HydrophobicContact CE3-CD1 3.62Å; W1181-F1285 AromaticContact CE3-CE1 3.49Å; W1181-F1285 HydrophobicContact CE3-CE1 3.49Å; W1181-F1285 VanDerWaalsContact CE3-CE1 3.49Å; W1181-F1285 AromaticContact CZ3-CD1 3.73Å; W1181-F1285 HydrophobicContact CZ3-CD1 3.73Å; W1181-F1285 HydrophobicContact CZ3-CE1 4.1Å; W1181-G1287 CarbonylContact O-C 3.5Å; W1181-G1287 VanDerWaalsContact O-CA 3.23Å; W1181-G1287 WeakPolarHBondContact O-CA 3.48Å; W1181-I1288 PolarHBondContact O-N 3.49Å |
| 1182 | I | 87.1 | Confident | 79.9 | Confident | 46 Ų | 46 | 52.5 Ų | 52.5 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -87.4 | 112.9 | 178.5 | -57.2 | 176.3 | 0 | 0 | 0 | 109.1 | N1179 I1288 | N1179-I1182 HydrophobicContact CB-CD1 4.27Å; N1179-I1182 WeakPolarHBondContact O-CB 3.1Å; N1179-I1182 PolarHBondContact O-N 3.03Å; N1179-I1182 VanDerWaalsContact O-N 3.07Å; I1182-I1288 CarbonylContact C-O 3.54Å; I1182-I1288 VanDerWaalsContact CA-O 3.27Å; I1182-I1288 WeakPolarHBondContact CA-O 3.25Å |
| 1183 | I | 88.7 | Confident | 80.6 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | trans | -79.1 | 124.8 | 169.4 | -60.1 | 177.9 | 0 | 0 | 0 | 107.4 | M1185 D1187 L1188 V1209 L1212 T1214 I1288 A1289 I1300 | I1183-M1185 PolarHBondContact O-N 2.78Å; I1183-D1187 HydrophobicContact CG2-CB 4.32Å; I1183-L1188 HydrophobicContact CG2-CB 4.35Å; I1183-V1209 HydrophobicContact CD1-CG2 4.28Å; I1183-L1212 HydrophobicContact CD1-CD1 3.63Å; I1183-L1212 HydrophobicContact CG1-CD1 4.18Å; I1183-T1214 HydrophobicContact CD1-CG2 4.42Å; I1183-T1214 HydrophobicContact CG1-CG2 3.63Å; I1183-I1288 PolarHBondContact N-O 3.47Å; I1183-A1289 WeakPolarHBondContact O-CB 3.48Å; I1183-I1300 HydrophobicContact CD1-CB 4.01Å; I1183-I1300 HydrophobicContact CD1-CD1 4.11Å; I1183-I1300 HydrophobicContact CD1-CG1 4.03Å; I1183-I1300 HydrophobicContact CD1-CG2 4.17Å | ||
| 1184 | P | 86.4 | Confident | 81.2 | Confident | 58 Ų | 58 | 58.7 Ų | 58.7 | 38% | 0.377 | 33% | 0.329 | S | S | . | . | trans | -59.8 | 136.9 | 174.3 | -22.9 | 34.6 | 0 | 0 | 0 | 110.8 | N1186 D1187 | P1184-N1186 PolarHBondContact O-N 3.48Å; P1184-N1186 VanDerWaalsContact O-N 3.09Å; P1184-D1187 WeakPolarHBondContact CB-OD2 3.36Å; P1184-D1187 VanDerWaalsContact CG-OD2 3.32Å; P1184-D1187 WeakPolarHBondContact CG-OD2 3.17Å; P1184-D1187 PolarHBondContact O-N 2.89Å | ||
| 1185 | M | 86.3 | Confident | 82.1 | Confident | 66 Ų | 66 | 57.5 Ų | 57.5 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -60.8 | -25 | -177.8 | -165.1 | 69.9 | -136.5 | 0 | 0 | 112.7 | I1183 D1187 L1188 I1190 A1289 | I1183-M1185 PolarHBondContact O-N 2.78Å; M1185-D1187 VanDerWaalsContact C-N 3.3Å; M1185-D1187 PolarHBondContact O-N 2.88Å; M1185-L1188 HydrophobicContact CE-CB 4.47Å; M1185-L1188 HydrophobicContact CE-CD2 4.2Å; M1185-L1188 HydrophobicContact CE-CG 4.37Å; M1185-L1188 PolarHBondContact O-N 2.78Å; M1185-L1188 HydrophobicContact SD-CD2 4.49Å; M1185-I1190 HydrophobicContact CE-CD1 3.88Å; M1185-I1190 HydrophobicContact CE-CG1 4.26Å; M1185-A1289 HydrophobicContact SD-CB 4.14Å |
| 1186 | N | 84.1 | Confident | 83.1 | Confident | 150 Ų | 150 | 60.5 Ų | 60.5 | 80% | 0.802 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -70 | -24.6 | 174.7 | -64.2 | 3.7 | 0 | 0 | 0 | 113.2 | P1184 L1188 | P1184-N1186 PolarHBondContact O-N 3.48Å; P1184-N1186 VanDerWaalsContact O-N 3.09Å; N1186-L1188 VanDerWaalsContact C-N 3.33Å |
| 1187 | D | 86.8 | Confident | 83.4 | Confident | 39 Ų | 39 | 59.7 Ų | 59.7 | 21% | 0.209 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -89.8 | 3.6 | 176.3 | -65.2 | -54.4 | 0 | 0 | 0 | 112.1 | I1183 P1184 M1185 V1209 L1210 R1211 | I1183-D1187 HydrophobicContact CG2-CB 4.32Å; P1184-D1187 WeakPolarHBondContact CB-OD2 3.36Å; P1184-D1187 VanDerWaalsContact CG-OD2 3.32Å; P1184-D1187 WeakPolarHBondContact CG-OD2 3.17Å; P1184-D1187 PolarHBondContact O-N 2.89Å; M1185-D1187 VanDerWaalsContact C-N 3.3Å; M1185-D1187 PolarHBondContact O-N 2.88Å; D1187-V1209 CarbonylContact O-C 3.54Å; D1187-V1209 VanDerWaalsContact O-CA 3.32Å; D1187-V1209 WeakPolarHBondContact O-CA 3.35Å; D1187-L1210 PolarHBondContact O-N 3.06Å; D1187-R1211 HydrophobicContact CB-CB 4.41Å |
| 1188 | L | 87.4 | Confident | 83.4 | Confident | 7 Ų | 7 | 68.7 Ų | 68.7 | 4% | 0.037 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 106.3 | -177.2 | 179.1 | 66.3 | 0 | 0 | 0 | 112.1 | I1183 M1185 N1186 I1190 V1209 V1250 V1252 A1289 V1298 I1300 | I1183-L1188 HydrophobicContact CG2-CB 4.35Å; M1185-L1188 HydrophobicContact CE-CB 4.47Å; M1185-L1188 HydrophobicContact CE-CD2 4.2Å; M1185-L1188 HydrophobicContact CE-CG 4.37Å; M1185-L1188 PolarHBondContact O-N 2.78Å; M1185-L1188 HydrophobicContact SD-CD2 4.49Å; N1186-L1188 VanDerWaalsContact C-N 3.33Å; L1188-I1190 HydrophobicContact CD2-CD1 4.3Å; L1188-I1190 HydrophobicContact CD2-CG1 4.25Å; L1188-I1190 HydrophobicContact CG-CG1 4.08Å; L1188-V1209 HydrophobicContact CD1-CG2 3.77Å; L1188-V1250 HydrophobicContact CD1-CG2 4.16Å; L1188-V1252 HydrophobicContact CD1-CG2 4.06Å; L1188-V1252 HydrophobicContact CD2-CG1 4.49Å; L1188-A1289 HydrophobicContact CD2-CB 3.73Å; L1188-V1298 HydrophobicContact CD2-CG2 4.08Å; L1188-I1300 HydrophobicContact CD1-CG1 4.17Å; L1188-I1300 HydrophobicContact CD2-CD1 4.01Å; L1188-I1300 HydrophobicContact CD2-CG1 3.86Å |
| 1189 | I | 87.6 | Confident | 82.7 | Confident | 77 Ų | 77 | 67.5 Ų | 67.5 | 40% | 0.395 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 134 | 166.3 | -54.1 | 177.6 | 0 | 0 | 0 | 108.3 | G1207 C1208 L1210 I1240 | I1189-G1207 CarbonylContact O-C 3.58Å; I1189-G1207 WeakPolarHBondContact O-CA 3.45Å; I1189-C1208 HydrophobicContact CB-CB 4.21Å; I1189-C1208 PolarHBondContact N-O 2.92Å; I1189-C1208 PolarHBondContact O-N 2.95Å; I1189-L1210 HydrophobicContact CD1-CD2 4.04Å; I1189-L1210 HydrophobicContact CG1-CD2 4.33Å; I1189-I1240 HydrophobicContact CD1-CD1 3.61Å; I1189-I1240 HydrophobicContact CD1-CG1 4.11Å |
| 1190 | I | 87.8 | Confident | 81.8 | Confident | 28 Ų | 28 | 65.4 Ų | 65.4 | 14% | 0.144 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 123 | 174.5 | -52.8 | 177 | 0 | 0 | 0 | 108 | M1185 L1188 T1192 Y1205 V1252 | M1185-I1190 HydrophobicContact CE-CD1 3.88Å; M1185-I1190 HydrophobicContact CE-CG1 4.26Å; L1188-I1190 HydrophobicContact CD2-CD1 4.3Å; L1188-I1190 HydrophobicContact CD2-CG1 4.25Å; L1188-I1190 HydrophobicContact CG-CG1 4.08Å; I1190-T1192 HydrophobicContact CG2-CG2 4.18Å; I1190-T1192 PolarHBondContact O-N 2.74Å; I1190-Y1205 HydrophobicContact CG2-CD2 4.22Å; I1190-Y1205 HydrophobicContact CG2-CG 4Å; I1190-V1252 HydrophobicContact CD1-CG1 3.85Å; I1190-V1252 HydrophobicContact CG1-CG1 4.21Å; I1190-V1252 HydrophobicContact CG1-CG2 4.39Å |
| 1191 | D | 86.4 | Confident | 80.8 | Confident | 56 Ų | 56 | 60.8 Ų | 60.8 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 98.6 | 167.6 | 176 | -5.9 | 0 | 0 | 0 | 108.1 | D1193 T1194 Y1205 K1206 | D1191-D1193 PolarHBondContact O-N 2.83Å; D1191-D1193 WeakPolarHBondContact OD1-CA 3.49Å; D1191-D1193 PolarHBondContact OD1-N 3.3Å; D1191-T1194 PolarHBondContact OD1-N 2.93Å; D1191-T1194 WeakPolarHBondContact OD2-CG2 3.36Å; D1191-T1194 PolarHBondContact OD2-OG1 2.98Å; D1191-Y1205 WeakPolarHBondContact O-CB 3.29Å; D1191-Y1205 WeakPolarHBondContact O-CD1 3.32Å; D1191-K1206 HydrophobicContact CB-CB 4.28Å; D1191-K1206 PolarHBondContact N-O 2.82Å |
| 1192 | T | 82.9 | Confident | 80.2 | Confident | 62 Ų | 62 | 59.9 Ų | 59.9 | 38% | 0.38 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -8.1 | 178.2 | 49 | 0 | 0 | 0 | 0 | 113.9 | I1190 Y1205 | I1190-T1192 HydrophobicContact CG2-CG2 4.18Å; I1190-T1192 PolarHBondContact O-N 2.74Å; T1192-Y1205 VanDerWaalsContact O-CE1 3.25Å; T1192-Y1205 WeakPolarHBondContact O-CE1 3.35Å |
| 1193 | D | 77.9 | Confident | 80 | Confident | 142 Ų | 142 | 59.8 Ų | 59.8 | 76% | 0.759 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -23.8 | -173.2 | -56.6 | -16.1 | 0 | 0 | 0 | 110.6 | D1191 P1195 | D1191-D1193 PolarHBondContact O-N 2.83Å; D1191-D1193 WeakPolarHBondContact OD1-CA 3.49Å; D1191-D1193 PolarHBondContact OD1-N 3.3Å; D1193-P1195 VanDerWaalsContact C-CD 3.43Å; D1193-P1195 WeakPolarHBondContact O-CD 3.5Å |
| 1194 | T | 73.3 | Confident | 80 | Confident | 63 Ų | 63 | 60.8 Ų | 60.8 | 39% | 0.387 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 80.8 | 168.9 | 72.2 | 0 | 0 | 0 | 0 | 113.3 | D1191 L1196 K1206 | D1191-T1194 PolarHBondContact OD1-N 2.93Å; D1191-T1194 WeakPolarHBondContact OD2-CG2 3.36Å; D1191-T1194 PolarHBondContact OD2-OG1 2.98Å; T1194-L1196 PolarHBondContact O-N 3.43Å; T1194-K1206 PolarHBondContact O-N 2.81Å |
| 1195 | P | 81.7 | Confident | 80.1 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 44% | 0.442 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 116.3 | 170.5 | 28 | -33.2 | 0 | 0 | 0 | 110.6 | D1193 G1197 M1203 V1204 Y1205 | D1193-P1195 VanDerWaalsContact C-CD 3.43Å; D1193-P1195 WeakPolarHBondContact O-CD 3.5Å; P1195-G1197 VanDerWaalsContact C-N 3.31Å; P1195-M1203 HydrophobicContact CB-CE 3.6Å; P1195-M1203 HydrophobicContact CG-CE 4.47Å; P1195-V1204 CarbonylContact C-O 3.58Å; P1195-V1204 WeakPolarHBondContact CA-O 3.37Å; P1195-Y1205 HydrophobicContact CB-CD1 4.17Å; P1195-Y1205 HydrophobicContact CB-CE1 4.01Å |
| 1196 | L | 82.6 | Confident | 80.3 | Confident | 71 Ų | 71 | 59.5 Ų | 59.5 | 37% | 0.372 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | -24.3 | 177.8 | -59.6 | 178.4 | 0 | 0 | 0 | 112.9 | T1194 V1204 K1206 A1251 Y1303 | T1194-L1196 PolarHBondContact O-N 3.43Å; L1196-V1204 HydrophobicContact CB-CG1 4.2Å; L1196-V1204 HydrophobicContact CD1-CG1 4.38Å; L1196-V1204 PolarHBondContact N-O 2.86Å; L1196-K1206 HydrophobicContact CD1-CB 4.14Å; L1196-K1206 HydrophobicContact CD2-CB 4.12Å; L1196-K1206 HydrophobicContact CG-CB 4.15Å; L1196-A1251 HydrophobicContact CD1-CB 4.13Å; L1196-Y1303 HydrophobicContact CD1-CD2 3.73Å; L1196-Y1303 HydrophobicContact CD1-CE2 3.56Å; L1196-Y1303 HydrophobicContact CD2-CE2 3.76Å; L1196-Y1303 HydrophobicContact CG-CE2 4.32Å |
| 1197 | G | 77.9 | Confident | 80.5 | Confident | 29 Ų | 29 | 52.6 Ų | 52.6 | 30% | 0.299 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 178 | 176.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P1195 M1203 V1204 | P1195-G1197 VanDerWaalsContact C-N 3.31Å; G1197-M1203 WeakPolarHBondContact O-CE 3.41Å; G1197-V1204 PolarHBondContact N-O 2.82Å; G1197-V1204 PolarHBondContact O-N 2.92Å |
| 1198 | R | 74.3 | Confident | 80.7 | Confident | 192 Ų | 192 | 51.1 Ų | 51.1 | 73% | 0.725 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125 | 106.8 | 178.4 | -175.9 | 175 | -174.5 | 172.6 | 6.2 | 109.4 | M1203 F1256 | R1198-M1203 HydrophobicContact CB-CE 4.3Å; R1198-M1203 HydrophobicContact CB-SD 3.95Å; R1198-M1203 HydrophobicContact CG-SD 3.76Å; R1198-F1256 HydrophobicContact CG-CZ 4.13Å |
| 1199 | G | 64.2 | Low | 80.7 | Confident | 19 Ų | 19 | 50.9 Ų | 50.9 | 20% | 0.196 | 28% | 0.277 | C | S | . | . | trans | -80.6 | 178.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | F1201 G1202 | G1199-F1201 VanDerWaalsContact C-N 3.32Å; G1199-F1201 PolarHBondContact O-N 2.87Å; G1199-G1202 PolarHBondContact N-O 2.89Å | ||
| 1200 | S | 60 | Low | 80.5 | Confident | 71 Ų | 71 | 49.7 Ų | 49.7 | 50% | 0.497 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -59.6 | -37.7 | 175.4 | 36.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1201 | F | 64.7 | Low | 80.3 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 5% | 0.053 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -98.4 | -15 | -176.2 | -56.5 | -65.8 | 0 | 0 | 0 | 115.8 | G1199 L1255 F1256 E1266 F1267 E1270 | G1199-F1201 VanDerWaalsContact C-N 3.32Å; G1199-F1201 PolarHBondContact O-N 2.87Å; F1201-L1255 HydrophobicContact CB-CD2 4.02Å; F1201-L1255 WeakPolarHBondContact O-CA 3.27Å; F1201-F1256 VanDerWaalsContact C-CD2 3.5Å; F1201-F1256 WeakPolarHBondContact O-CD2 3.31Å; F1201-F1256 PolarHBondContact O-N 3.41Å; F1201-E1266 HydrophobicContact CE1-CB 3.58Å; F1201-E1266 HydrophobicContact CZ-CB 3.57Å; F1201-F1267 HydrophobicContact CB-CD2 3.67Å; F1201-F1267 HydrophobicContact CB-CE2 4.07Å; F1201-F1267 AromaticContact CD2-CD2 3.87Å; F1201-F1267 HydrophobicContact CD2-CD2 3.87Å; F1201-F1267 AromaticContact CG-CD2 3.91Å; F1201-F1267 HydrophobicContact CG-CD2 3.91Å; F1201-E1270 WeakPolarHBondContact CE2-OE2 3.11Å |
| 1202 | G | 75 | Confident | 80 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 168.5 | -156 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | G1199 T1254 F1256 | G1199-G1202 PolarHBondContact N-O 2.89Å; G1202-T1254 CarbonylContact C-O 3.23Å; G1202-T1254 WeakPolarHBondContact CA-O 3.21Å; G1202-F1256 VanDerWaalsContact CA-CE2 3.46Å; G1202-F1256 VanDerWaalsContact CA-CZ 3.43Å |
| 1203 | M | 83.8 | Confident | 80 | Confident | 44 Ų | 44 | 52.2 Ų | 52.2 | 22% | 0.217 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 144.7 | -177.5 | -63.4 | -57.6 | -62.4 | 0 | 0 | 111.5 | P1195 G1197 R1198 Y1205 T1254 F1256 | P1195-M1203 HydrophobicContact CB-CE 3.6Å; P1195-M1203 HydrophobicContact CG-CE 4.47Å; G1197-M1203 WeakPolarHBondContact O-CE 3.41Å; R1198-M1203 HydrophobicContact CB-CE 4.3Å; R1198-M1203 HydrophobicContact CB-SD 3.95Å; R1198-M1203 HydrophobicContact CG-SD 3.76Å; M1203-Y1205 HydrophobicContact CB-CD2 4.17Å; M1203-Y1205 HydrophobicContact CB-CE1 4.42Å; M1203-Y1205 HydrophobicContact CB-CE2 3.49Å; M1203-Y1205 VanDerWaalsContact CB-CE2 3.49Å; M1203-Y1205 HydrophobicContact CG-CE2 4.41Å; M1203-T1254 PolarHBondContact N-OG1 2.67Å; M1203-T1254 PolarHBondContact O-N 3.35Å; M1203-T1254 PolarHBondContact O-OG1 3.32Å; M1203-F1256 HydrophobicContact CG-CE1 4.31Å; M1203-F1256 HydrophobicContact SD-CE1 4.24Å |
| 1204 | V | 88.1 | Confident | 80.3 | Confident | 23 Ų | 23 | 45.5 Ų | 45.5 | 14% | 0.139 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 125.2 | 166.4 | -174 | 0 | 0 | 0 | 0 | 107.9 | P1195 L1196 G1197 A1251 V1252 K1253 M1301 | P1195-V1204 CarbonylContact C-O 3.58Å; P1195-V1204 WeakPolarHBondContact CA-O 3.37Å; L1196-V1204 HydrophobicContact CB-CG1 4.2Å; L1196-V1204 HydrophobicContact CD1-CG1 4.38Å; L1196-V1204 PolarHBondContact N-O 2.86Å; G1197-V1204 PolarHBondContact N-O 2.82Å; G1197-V1204 PolarHBondContact O-N 2.92Å; V1204-A1251 HydrophobicContact CG1-CB 4.05Å; V1204-V1252 WeakPolarHBondContact CA-O 3.17Å; V1204-K1253 HydrophobicContact CG2-CB 4.29Å; V1204-K1253 HydrophobicContact CG2-CG 4.05Å; V1204-M1301 HydrophobicContact CG1-CE 4.44Å |
| 1205 | Y | 90 | Very high | 80.8 | Confident | 44 Ų | 44 | 44 Ų | 44 | 17% | 0.173 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 158.6 | 178.8 | -68.8 | -72 | 0 | 0 | 0 | 111.1 | I1190 D1191 T1192 P1195 M1203 V1252 T1254 | I1190-Y1205 HydrophobicContact CG2-CD2 4.22Å; I1190-Y1205 HydrophobicContact CG2-CG 4Å; D1191-Y1205 WeakPolarHBondContact O-CB 3.29Å; D1191-Y1205 WeakPolarHBondContact O-CD1 3.32Å; T1192-Y1205 VanDerWaalsContact O-CE1 3.25Å; T1192-Y1205 WeakPolarHBondContact O-CE1 3.35Å; P1195-Y1205 HydrophobicContact CB-CD1 4.17Å; P1195-Y1205 HydrophobicContact CB-CE1 4.01Å; M1203-Y1205 HydrophobicContact CB-CD2 4.17Å; M1203-Y1205 HydrophobicContact CB-CE1 4.42Å; M1203-Y1205 HydrophobicContact CB-CE2 3.49Å; M1203-Y1205 VanDerWaalsContact CB-CE2 3.49Å; M1203-Y1205 HydrophobicContact CG-CE2 4.41Å; Y1205-V1252 PolarHBondContact N-O 3.28Å; Y1205-V1252 PolarHBondContact O-N 2.88Å; Y1205-T1254 HydrophobicContact CD2-CG2 3.77Å; Y1205-T1254 HydrophobicContact CE2-CG2 4.07Å |
| 1206 | K | 89.1 | Confident | 80.8 | Confident | 53 Ų | 53 | 40.8 Ų | 40.8 | 23% | 0.23 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 148.2 | 163.1 | -161.1 | 177.1 | 179.5 | -172.6 | 0 | 109 | D1191 T1194 L1196 E1249 Y1303 | D1191-K1206 HydrophobicContact CB-CB 4.28Å; D1191-K1206 PolarHBondContact N-O 2.82Å; T1194-K1206 PolarHBondContact O-N 2.81Å; L1196-K1206 HydrophobicContact CD1-CB 4.14Å; L1196-K1206 HydrophobicContact CD2-CB 4.12Å; L1196-K1206 HydrophobicContact CG-CB 4.15Å; K1206-E1249 WeakPolarHBondContact CE-OE1 3.49Å; K1206-E1249 IonicContact NZ-OE1 3.72Å; K1206-E1249 PolarHBondContact NZ-OE1 3.05Å; K1206-Y1303 HydrophobicContact CD-CE2 4.43Å; K1206-Y1303 HydrophobicContact CG-CD2 4.47Å; K1206-Y1303 HydrophobicContact CG-CE2 4.28Å |
| 1207 | G | 89.5 | Confident | 80.6 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 172.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1189 E1249 V1250 | I1189-G1207 CarbonylContact O-C 3.58Å; I1189-G1207 WeakPolarHBondContact O-CA 3.45Å; G1207-E1249 WeakPolarHBondContact O-CA 3.48Å; G1207-V1250 VanDerWaalsContact C-CG2 3.42Å; G1207-V1250 PolarHBondContact N-O 3.43Å; G1207-V1250 PolarHBondContact O-N 3.31Å |
| 1208 | C | 89.6 | Confident | 80.3 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 5% | 0.054 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 114.3 | -179.4 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | I1189 C1238 L1248 | I1189-C1208 HydrophobicContact CB-CB 4.21Å; I1189-C1208 PolarHBondContact N-O 2.92Å; I1189-C1208 PolarHBondContact O-N 2.95Å; C1208-C1238 WeakPolarHBondContact CA-SG 3.38Å; C1208-C1238 HydrophobicContact CB-CB 3.68Å; C1208-C1238 WeakPolarHBondContact CB-SG 3.25Å; C1208-C1238 WeakPolarHBondContact SG-CB 3.22Å; C1208-C1238 CovalentContact SG-SG 2.02Å; C1208-C1238 PolarHBondContact SG-SG 3.11Å; C1208-L1248 WeakPolarHBondContact CA-O 3.49Å |
| 1209 | V | 88.7 | Confident | 79.9 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 120 | 171.5 | 172.3 | 0 | 0 | 0 | 0 | 108.7 | I1183 D1187 L1188 R1211 L1212 G1247 L1248 V1250 I1300 | I1183-V1209 HydrophobicContact CD1-CG2 4.28Å; D1187-V1209 CarbonylContact O-C 3.54Å; D1187-V1209 VanDerWaalsContact O-CA 3.32Å; D1187-V1209 WeakPolarHBondContact O-CA 3.35Å; L1188-V1209 HydrophobicContact CD1-CG2 3.77Å; V1209-R1211 WeakPolarHBondContact CG1-O 3.22Å; V1209-L1212 HydrophobicContact CG1-CB 4.04Å; V1209-L1212 HydrophobicContact CG1-CD1 4.23Å; V1209-G1247 CarbonylContact O-C 3.59Å; V1209-G1247 VanDerWaalsContact O-CA 3.29Å; V1209-G1247 WeakPolarHBondContact O-CA 3.3Å; V1209-L1248 PolarHBondContact N-O 3.09Å; V1209-L1248 PolarHBondContact O-N 2.96Å; V1209-V1250 HydrophobicContact CB-CG1 4.31Å; V1209-V1250 HydrophobicContact CG2-CB 4.49Å; V1209-V1250 HydrophobicContact CG2-CG1 3.78Å; V1209-V1250 HydrophobicContact CG2-CG2 3.94Å; V1209-I1300 HydrophobicContact CG2-CG2 4.08Å |
| 1210 | L | 84 | Confident | 79.9 | Confident | 53 Ų | 53 | 41 Ų | 41 | 28% | 0.277 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -76.7 | -39.3 | -179.1 | -48.1 | -171.5 | 0 | 0 | 0 | 111.2 | D1187 I1189 I1240 | D1187-L1210 PolarHBondContact O-N 3.06Å; I1189-L1210 HydrophobicContact CD1-CD2 4.04Å; I1189-L1210 HydrophobicContact CG1-CD2 4.33Å; L1210-I1240 HydrophobicContact CD2-CD1 3.31Å |
| 1211 | R | 81.9 | Confident | 79.7 | Confident | 123 Ų | 123 | 42.7 Ų | 42.7 | 46% | 0.464 | 22% | 0.224 | S | C | . | . | trans | -144 | 122.4 | -179.1 | -168.4 | -178.5 | -171.4 | -176 | 2.5 | 109.6 | D1187 V1209 N1226 G1227 | D1187-R1211 HydrophobicContact CB-CB 4.41Å; V1209-R1211 WeakPolarHBondContact CG1-O 3.22Å; R1211-N1226 VanDerWaalsContact CZ-O 3.3Å; R1211-N1226 PolarHBondContact NE-O 3.25Å; R1211-N1226 PolarHBondContact NH2-O 2.84Å; R1211-G1227 WeakPolarHBondContact CA-O 3.38Å | ||
| 1212 | L | 81.8 | Confident | 79.4 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | trans | -103.8 | 98.3 | 177.4 | -170.8 | 69.1 | 0 | 0 | 0 | 109.4 | I1183 V1209 T1214 A1216 S1217 L1220 I1223 G1227 L1248 L1286 | I1183-L1212 HydrophobicContact CD1-CD1 3.63Å; I1183-L1212 HydrophobicContact CG1-CD1 4.18Å; V1209-L1212 HydrophobicContact CG1-CB 4.04Å; V1209-L1212 HydrophobicContact CG1-CD1 4.23Å; L1212-T1214 HydrophobicContact CD1-CG2 4.3Å; L1212-T1214 WeakPolarHBondContact CD1-OG1 3.12Å; L1212-A1216 HydrophobicContact CD2-CB 4.29Å; L1212-S1217 WeakPolarHBondContact O-CB 3.49Å; L1212-L1220 HydrophobicContact CD2-CD1 3.65Å; L1212-I1223 HydrophobicContact CB-CD1 3.96Å; L1212-I1223 HydrophobicContact CD2-CD1 3.77Å; L1212-I1223 HydrophobicContact CG-CD1 4.45Å; L1212-G1227 PolarHBondContact N-O 2.88Å; L1212-G1227 VanDerWaalsContact N-O 3.09Å; L1212-L1248 HydrophobicContact CD2-CD2 4.42Å; L1212-L1286 HydrophobicContact CD1-CB 4.32Å | ||
| 1213 | S | 80.8 | Confident | 78.5 | Confident | 71 Ų | 71 | 43.2 Ų | 43.2 | 50% | 0.497 | 23% | 0.227 | S | C | . | . | trans | -88.5 | -8.3 | 178.5 | 51.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1214 | T | 85.8 | Confident | 77.3 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -76.1 | 163.7 | -176.1 | 69.9 | 0 | 0 | 0 | 0 | 111.9 | E1180 I1183 L1212 A1216 S1217 L1286 | E1180-T1214 WeakPolarHBondContact O-CA 3.41Å; E1180-T1214 WeakPolarHBondContact O-CG2 3.29Å; I1183-T1214 HydrophobicContact CD1-CG2 4.42Å; I1183-T1214 HydrophobicContact CG1-CG2 3.63Å; L1212-T1214 HydrophobicContact CD1-CG2 4.3Å; L1212-T1214 WeakPolarHBondContact CD1-OG1 3.12Å; T1214-A1216 PolarHBondContact O-N 3.4Å; T1214-S1217 VanDerWaalsContact O-CB 3.3Å; T1214-S1217 WeakPolarHBondContact O-CB 3.4Å; T1214-S1217 PolarHBondContact O-N 2.78Å; T1214-S1217 PolarHBondContact O-OG 2.89Å; T1214-L1286 WeakPolarHBondContact CB-O 3.24Å; T1214-L1286 WeakPolarHBondContact CG2-O 3.46Å; T1214-L1286 PolarHBondContact OG1-O 2.83Å |
| 1215 | P | 84.1 | Confident | 75.8 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 21% | 0.208 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -58.2 | -19.6 | 176.8 | -26.6 | 36 | 0 | 0 | 0 | 114.9 | E1180 W1181 S1217 Q1218 | E1180-P1215 HydrophobicContact CB-CG 4.48Å; E1180-P1215 HydrophobicContact CG-CG 3.89Å; E1180-P1215 WeakPolarHBondContact O-CD 3.44Å; W1181-P1215 HydrophobicContact CD2-CG 4.38Å; W1181-P1215 HydrophobicContact CH2-CB 4Å; W1181-P1215 HydrophobicContact CH2-CG 4.47Å; W1181-P1215 HydrophobicContact CZ2-CB 3.67Å; W1181-P1215 HydrophobicContact CZ2-CG 3.81Å; P1215-S1217 PolarHBondContact O-N 2.9Å; P1215-Q1218 WeakPolarHBondContact O-CB 3.29Å; P1215-Q1218 PolarHBondContact O-N 3.48Å; P1215-Q1218 VanDerWaalsContact O-N 3.1Å |
| 1216 | A | 81.7 | Confident | 74.3 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -61 | -23.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | W1181 L1212 T1214 Q1218 Q1219 L1220 L1286 | W1181-A1216 HydrophobicContact CZ3-CB 4.17Å; L1212-A1216 HydrophobicContact CD2-CB 4.29Å; T1214-A1216 PolarHBondContact O-N 3.4Å; A1216-Q1218 PolarHBondContact O-N 3.3Å; A1216-Q1219 PolarHBondContact O-N 2.91Å; A1216-Q1219 VanDerWaalsContact O-N 3.11Å; A1216-L1220 PolarHBondContact O-N 2.86Å; A1216-L1286 HydrophobicContact CB-CD2 3.91Å |
| 1217 | S | 77.8 | Confident | 72.7 | Confident | 25 Ų | 25 | 47.7 Ų | 47.7 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -56.1 | -35.7 | 171.5 | 60.6 | 0 | 0 | 0 | 0 | 113.1 | L1212 T1214 P1215 Q1219 L1220 | L1212-S1217 WeakPolarHBondContact O-CB 3.49Å; T1214-S1217 VanDerWaalsContact O-CB 3.3Å; T1214-S1217 WeakPolarHBondContact O-CB 3.4Å; T1214-S1217 PolarHBondContact O-N 2.78Å; T1214-S1217 PolarHBondContact O-OG 2.89Å; P1215-S1217 PolarHBondContact O-N 2.9Å; S1217-Q1219 VanDerWaalsContact C-N 3.27Å; S1217-Q1219 PolarHBondContact O-N 2.9Å; S1217-L1220 PolarHBondContact O-N 3.39Å |
| 1218 | Q | 71.7 | Confident | 71.3 | Confident | 173 Ų | 173 | 51.7 Ų | 51.7 | 81% | 0.808 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -71.4 | -22.6 | 179.5 | -59.1 | -178.9 | -1.5 | 0 | 0 | 113 | P1215 A1216 | P1215-Q1218 WeakPolarHBondContact O-CB 3.29Å; P1215-Q1218 PolarHBondContact O-N 3.48Å; P1215-Q1218 VanDerWaalsContact O-N 3.1Å; A1216-Q1218 PolarHBondContact O-N 3.3Å |
| 1219 | Q | 64.9 | Low | 69.8 | Low | 87 Ų | 87 | 52 Ų | 52 | 41% | 0.407 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -87.3 | -12.8 | 177 | -63.5 | 172.5 | -11.1 | 0 | 0 | 112.1 | A1216 S1217 Q1284 | A1216-Q1219 PolarHBondContact O-N 2.91Å; A1216-Q1219 VanDerWaalsContact O-N 3.11Å; S1217-Q1219 VanDerWaalsContact C-N 3.27Å; S1217-Q1219 PolarHBondContact O-N 2.9Å; Q1219-Q1284 VanDerWaalsContact CB-NE2 3.35Å |
| 1220 | L | 65 | Low | 68.3 | Low | 31 Ų | 31 | 58 Ų | 58 | 16% | 0.162 | 31% | 0.31 | C | S | . | . | trans | -107.3 | 98.9 | -177.1 | -73.8 | 171.2 | 0 | 0 | 0 | 110 | L1212 A1216 S1217 I1222 I1223 L1248 L1286 | L1212-L1220 HydrophobicContact CD2-CD1 3.65Å; A1216-L1220 PolarHBondContact O-N 2.86Å; S1217-L1220 PolarHBondContact O-N 3.39Å; L1220-I1222 HydrophobicContact CB-CD1 4.44Å; L1220-I1222 HydrophobicContact CB-CG1 3.9Å; L1220-I1222 PolarHBondContact O-N 3.01Å; L1220-I1223 HydrophobicContact CB-CD1 3.97Å; L1220-I1223 HydrophobicContact CD1-CD1 4Å; L1220-I1223 PolarHBondContact O-N 3.18Å; L1220-L1248 HydrophobicContact CD1-CD2 3.95Å; L1220-L1286 HydrophobicContact CD1-CD2 3.87Å | ||
| 1221 | S | 56.1 | Low | 66.9 | Low | 107 Ų | 107 | 62.5 Ų | 62.5 | 75% | 0.748 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 2.6 | -177.7 | 55.9 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1222 | I | 57.6 | Low | 65.3 | Low | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.041 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -1.6 | -173.4 | 52.7 | 145.3 | 0 | 0 | 0 | 113.8 | L1220 R1230 I1234 L1248 | L1220-I1222 HydrophobicContact CB-CD1 4.44Å; L1220-I1222 HydrophobicContact CB-CG1 3.9Å; L1220-I1222 PolarHBondContact O-N 3.01Å; I1222-R1230 WeakPolarHBondContact O-CB 3.05Å; I1222-R1230 PolarHBondContact O-N 3.48Å; I1222-I1234 HydrophobicContact CD1-CD1 3.91Å; I1222-I1234 HydrophobicContact CG1-CD1 4.45Å; I1222-I1234 HydrophobicContact CG2-CB 4.15Å; I1222-I1234 HydrophobicContact CG2-CD1 3.89Å; I1222-I1234 HydrophobicContact CG2-CG1 4.1Å; I1222-L1248 HydrophobicContact CD1-CD1 3.8Å |
| 1223 | I | 57.3 | Low | 63.6 | Low | 15 Ų | 15 | 65.5 Ų | 65.5 | 8% | 0.077 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -107.8 | 145.7 | -179.2 | -72.2 | 158.9 | 0 | 0 | 0 | 109.7 | L1212 L1220 I1228 | L1212-I1223 HydrophobicContact CB-CD1 3.96Å; L1212-I1223 HydrophobicContact CD2-CD1 3.77Å; L1212-I1223 HydrophobicContact CG-CD1 4.45Å; L1220-I1223 HydrophobicContact CB-CD1 3.97Å; L1220-I1223 HydrophobicContact CD1-CD1 4Å; L1220-I1223 PolarHBondContact O-N 3.18Å; I1223-I1228 CarbonylContact C-O 3.48Å; I1223-I1228 WeakPolarHBondContact CA-O 3.41Å |
| 1224 | D | 58.3 | Low | 62 | Low | 43 Ų | 43 | 65.2 Ų | 65.2 | 23% | 0.23 | 36% | 0.359 | C | S | . | . | trans | -83.8 | 178.6 | 175.2 | 87.8 | -22.7 | 0 | 0 | 0 | 112.6 | N1226 G1227 I1228 R1230 | D1224-N1226 PolarHBondContact O-N 3.41Å; D1224-N1226 WeakPolarHBondContact OD1-CA 3.33Å; D1224-N1226 WeakPolarHBondContact OD1-CB 3.36Å; D1224-N1226 PolarHBondContact OD1-N 3.31Å; D1224-N1226 PolarHBondContact OD2-ND2 3.24Å; D1224-G1227 PolarHBondContact O-N 3.4Å; D1224-G1227 PolarHBondContact OD1-N 3.36Å; D1224-I1228 PolarHBondContact N-O 3.23Å; D1224-I1228 WeakPolarHBondContact OD1-CB 3.45Å; D1224-I1228 PolarHBondContact OD1-N 3.48Å; D1224-R1230 HydrophobicContact CB-CG 4.32Å | ||
| 1225 | S | 56.6 | Low | 60.5 | Low | 118 Ų | 118 | 74.2 Ų | 74.2 | 83% | 0.825 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -6.5 | 178.3 | 52.4 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1226 | N | 57.2 | Low | 59.1 | Low | 89 Ų | 89 | 73.9 Ų | 73.9 | 48% | 0.476 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -6.5 | -177.2 | -53.5 | -61.8 | 0 | 0 | 0 | 112.7 | R1211 D1224 I1228 | R1211-N1226 VanDerWaalsContact CZ-O 3.3Å; R1211-N1226 PolarHBondContact NE-O 3.25Å; R1211-N1226 PolarHBondContact NH2-O 2.84Å; D1224-N1226 PolarHBondContact O-N 3.41Å; D1224-N1226 WeakPolarHBondContact OD1-CA 3.33Å; D1224-N1226 WeakPolarHBondContact OD1-CB 3.36Å; D1224-N1226 PolarHBondContact OD1-N 3.31Å; D1224-N1226 PolarHBondContact OD2-ND2 3.24Å; N1226-I1228 HydrophobicContact CB-CD1 4.17Å; N1226-I1228 HydrophobicContact CB-CG1 4.26Å |
| 1227 | G | 56.1 | Low | 58.3 | Low | 7 Ų | 7 | 75.7 Ų | 75.7 | 7% | 0.072 | 41% | 0.405 | C | S | . | . | S | Bend | trans | 93.3 | 12.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R1211 L1212 D1224 | R1211-G1227 WeakPolarHBondContact CA-O 3.38Å; L1212-G1227 PolarHBondContact N-O 2.88Å; L1212-G1227 VanDerWaalsContact N-O 3.09Å; D1224-G1227 PolarHBondContact O-N 3.4Å; D1224-G1227 PolarHBondContact OD1-N 3.36Å |
| 1228 | I | 61 | Low | 57.8 | Low | 89 Ų | 89 | 75.4 Ų | 75.4 | 46% | 0.456 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 140.2 | -175.1 | -54.1 | 173.6 | 0 | 0 | 0 | 110.2 | I1223 D1224 N1226 R1230 | I1223-I1228 CarbonylContact C-O 3.48Å; I1223-I1228 WeakPolarHBondContact CA-O 3.41Å; D1224-I1228 PolarHBondContact N-O 3.23Å; D1224-I1228 WeakPolarHBondContact OD1-CB 3.45Å; D1224-I1228 PolarHBondContact OD1-N 3.48Å; N1226-I1228 HydrophobicContact CB-CD1 4.17Å; N1226-I1228 HydrophobicContact CB-CG1 4.26Å; I1228-R1230 PolarHBondContact O-N 3.1Å |
| 1229 | V | 57.4 | Low | 57.4 | Low | 14 Ų | 14 | 74.2 Ų | 74.2 | 9% | 0.085 | 40% | 0.395 | C | S | . | . | B | Isolated β-bridge | trans | -71.3 | 125.2 | 179.1 | -176.7 | 0 | 0 | 0 | 0 | 111 | V1246 L1248 | V1229-V1246 HydrophobicContact CG1-CG1 4.43Å; V1229-L1248 HydrophobicContact CG2-CB 4.01Å |
| 1230 | R | 58 | Low | 57.1 | Low | 128 Ų | 128 | 72.4 Ų | 72.4 | 48% | 0.483 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 130.6 | 177 | -68.7 | 177.6 | 169.6 | 172.1 | -3.2 | 110.8 | I1222 D1224 I1228 S1232 | I1222-R1230 WeakPolarHBondContact O-CB 3.05Å; I1222-R1230 PolarHBondContact O-N 3.48Å; D1224-R1230 HydrophobicContact CB-CG 4.32Å; I1228-R1230 PolarHBondContact O-N 3.1Å; R1230-S1232 VanDerWaalsContact C-N 3.26Å; R1230-S1232 PolarHBondContact O-N 3.08Å |
| 1231 | E | 53.8 | Low | 56.4 | Low | 148 Ų | 148 | 76.4 Ų | 76.4 | 69% | 0.692 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -19.4 | -168.5 | -165.7 | 167.4 | -145 | 0 | 0 | 114.4 | K1237 | E1231-K1237 WeakPolarHBondContact O-CE 3.42Å; E1231-K1237 PolarHBondContact O-NZ 2.91Å |
| 1232 | S | 47.8 | Very low | 56 | Low | 113 Ų | 113 | 82.8 Ų | 82.8 | 79% | 0.79 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -6.2 | -166.9 | 59.4 | 0 | 0 | 0 | 0 | 116.7 | R1230 | R1230-S1232 VanDerWaalsContact C-N 3.26Å; R1230-S1232 PolarHBondContact O-N 3.08Å |
| 1233 | T | 47.5 | Very low | 55.6 | Low | 77 Ų | 77 | 84.9 Ų | 84.9 | 47% | 0.472 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -128.6 | -4.3 | -151.5 | -7.9 | 0 | 0 | 0 | 0 | 118.6 | ||
| 1234 | I | 47 | Very low | 55.5 | Low | 64 Ų | 64 | 87.7 Ų | 87.7 | 33% | 0.328 | 48% | 0.482 | S | S | . | . | trans | -143 | 148.7 | -178.8 | -125.1 | -178.4 | 0 | 0 | 0 | 114.8 | I1222 K1237 | I1222-I1234 HydrophobicContact CD1-CD1 3.91Å; I1222-I1234 HydrophobicContact CG1-CD1 4.45Å; I1222-I1234 HydrophobicContact CG2-CB 4.15Å; I1222-I1234 HydrophobicContact CG2-CD1 3.89Å; I1222-I1234 HydrophobicContact CG2-CG1 4.1Å; I1234-K1237 HydrophobicContact CG2-CG 4.39Å | ||
| 1235 | K | 53.1 | Low | 55.5 | Low | 190 Ų | 190 | 89 Ų | 89 | 83% | 0.826 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -79.7 | -32.9 | 177.9 | -72.2 | -174.9 | 176.6 | -179.6 | 0 | 113.7 | K1237 | K1235-K1237 PolarHBondContact O-N 3.19Å; K1235-K1237 VanDerWaalsContact O-N 3.15Å |
| 1236 | S | 56.2 | Low | 56 | Low | 26 Ų | 26 | 84.4 Ų | 84.4 | 18% | 0.182 | 46% | 0.462 | C | S | . | . | trans | -87 | 72.8 | -177.2 | 48.1 | 0 | 0 | 0 | 0 | 111.7 | E1249 | S1236-E1249 WeakPolarHBondContact CA-OE2 3.32Å; S1236-E1249 WeakPolarHBondContact CB-OE2 3.34Å; S1236-E1249 PolarHBondContact O-N 2.85Å | ||
| 1237 | K | 63.7 | Low | 57 | Low | 37 Ų | 37 | 80.1 Ų | 80.1 | 16% | 0.161 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 132.8 | 174.9 | -72.7 | -178.9 | 173.6 | -172.3 | 0 | 110.4 | E1231 I1234 K1235 F1239 V1246 | E1231-K1237 WeakPolarHBondContact O-CE 3.42Å; E1231-K1237 PolarHBondContact O-NZ 2.91Å; I1234-K1237 HydrophobicContact CG2-CG 4.39Å; K1235-K1237 PolarHBondContact O-N 3.19Å; K1235-K1237 VanDerWaalsContact O-N 3.15Å; K1237-F1239 HydrophobicContact CB-CD2 4.33Å; K1237-F1239 HydrophobicContact CB-CE2 3.91Å; K1237-F1239 HydrophobicContact CB-CZ 4.44Å; K1237-F1239 HydrophobicContact CD-CE2 4.03Å; K1237-F1239 HydrophobicContact CD-CZ 3.78Å; K1237-V1246 HydrophobicContact CB-CG1 4.08Å; K1237-V1246 HydrophobicContact CD-CG1 3.59Å; K1237-V1246 HydrophobicContact CG-CG1 3.69Å |
| 1238 | C | 68.4 | Low | 58.4 | Low | 20 Ų | 20 | 80.3 Ų | 80.3 | 14% | 0.135 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 124.6 | 162.7 | 42.4 | 0 | 0 | 0 | 0 | 109.7 | C1208 G1247 E1249 | C1208-C1238 WeakPolarHBondContact CA-SG 3.38Å; C1208-C1238 HydrophobicContact CB-CB 3.68Å; C1208-C1238 WeakPolarHBondContact CB-SG 3.25Å; C1208-C1238 WeakPolarHBondContact SG-CB 3.22Å; C1208-C1238 CovalentContact SG-SG 2.02Å; C1208-C1238 PolarHBondContact SG-SG 3.11Å; C1238-G1247 PolarHBondContact N-O 3.37Å; C1238-G1247 VanDerWaalsContact N-O 3.12Å; C1238-G1247 PolarHBondContact O-N 3.24Å; C1238-G1247 VanDerWaalsContact SG-CA 3.5Å; C1238-G1247 PolarHBondContact SG-O 3.27Å; C1238-E1249 HydrophobicContact CB-CG 4.05Å |
| 1239 | F | 62.2 | Low | 59.7 | Low | 147 Ų | 147 | 77.4 Ų | 77.4 | 65% | 0.645 | 42% | 0.423 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.5 | 175 | -72.3 | -87.1 | 0 | 0 | 0 | 109.9 | K1237 V1246 | K1237-F1239 HydrophobicContact CB-CD2 4.33Å; K1237-F1239 HydrophobicContact CB-CE2 3.91Å; K1237-F1239 HydrophobicContact CB-CZ 4.44Å; K1237-F1239 HydrophobicContact CD-CE2 4.03Å; K1237-F1239 HydrophobicContact CD-CZ 3.78Å; F1239-V1246 HydrophobicContact CD1-CG2 4.14Å; F1239-V1246 HydrophobicContact CE1-CG2 3.85Å |
| 1240 | I | 57.9 | Low | 61.4 | Low | 49 Ų | 49 | 76.8 Ų | 76.8 | 25% | 0.251 | 42% | 0.419 | S | S | . | . | trans | -98.6 | 113.1 | -179.9 | -62.8 | 159.2 | 0 | 0 | 0 | 109 | I1189 L1210 W1242 G1243 G1244 | I1189-I1240 HydrophobicContact CD1-CD1 3.61Å; I1189-I1240 HydrophobicContact CD1-CG1 4.11Å; L1210-I1240 HydrophobicContact CD2-CD1 3.31Å; I1240-W1242 PolarHBondContact O-N 3.07Å; I1240-G1243 PolarHBondContact O-N 3.35Å; I1240-G1244 PolarHBondContact O-N 3.5Å | ||
| 1241 | S | 50.8 | Low | 63 | Low | 115 Ų | 115 | 71 Ų | 71 | 80% | 0.804 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -7 | -174.3 | 47.2 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1242 | W | 47.8 | Very low | 64.8 | Low | 241 Ų | 241 | 64 Ų | 64 | 91% | 0.913 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125 | 26.5 | -177.6 | -72.7 | 88.8 | 0 | 0 | 0 | 113.7 | I1240 | I1240-W1242 PolarHBondContact O-N 3.07Š|
| 1243 | G | 49.6 | Very low | 66.8 | Low | 52 Ų | 52 | 58.9 Ų | 58.9 | 54% | 0.536 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -165.9 | -4 | 177 | 0 | 0 | 0 | 0 | 0 | 118.5 | I1240 S1245 | I1240-G1243 PolarHBondContact O-N 3.35Å; G1243-S1245 PolarHBondContact O-N 2.9Å |
| 1244 | G | 54.6 | Low | 68.8 | Low | 74 Ų | 74 | 55.7 Ų | 55.7 | 76% | 0.763 | 31% | 0.31 | S | S | * | . | trans | 69 | -8.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1240 | I1240-G1244 PolarHBondContact O-N 3.5Š| ||
| 1245 | S | 57.8 | Low | 70.4 | Confident | 70 Ų | 70 | 53.4 Ų | 53.4 | 49% | 0.49 | 30% | 0.298 | S | S | . | . | trans | -73.1 | 135.2 | 179.8 | -56.1 | 0 | 0 | 0 | 0 | 112.5 | G1243 | G1243-S1245 PolarHBondContact O-N 2.9Š| ||
| 1246 | V | 67.9 | Low | 71.6 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 13% | 0.133 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 118.5 | 175.1 | 175.2 | 0 | 0 | 0 | 0 | 109.2 | V1229 K1237 F1239 | V1229-V1246 HydrophobicContact CG1-CG1 4.43Å; K1237-V1246 HydrophobicContact CB-CG1 4.08Å; K1237-V1246 HydrophobicContact CD-CG1 3.59Å; K1237-V1246 HydrophobicContact CG-CG1 3.69Å; F1239-V1246 HydrophobicContact CD1-CG2 4.14Å; F1239-V1246 HydrophobicContact CE1-CG2 3.85Å |
| 1247 | G | 78.6 | Confident | 72.3 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 170 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1209 C1238 | V1209-G1247 CarbonylContact O-C 3.59Å; V1209-G1247 VanDerWaalsContact O-CA 3.29Å; V1209-G1247 WeakPolarHBondContact O-CA 3.3Å; C1238-G1247 PolarHBondContact N-O 3.37Å; C1238-G1247 VanDerWaalsContact N-O 3.12Å; C1238-G1247 PolarHBondContact O-N 3.24Å; C1238-G1247 VanDerWaalsContact SG-CA 3.5Å; C1238-G1247 PolarHBondContact SG-O 3.27Å |
| 1248 | L | 85.5 | Confident | 72.5 | Confident | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.058 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 126.2 | 172.2 | 176.5 | 61.7 | 0 | 0 | 0 | 110.2 | C1208 V1209 L1212 L1220 I1222 V1229 V1250 L1286 | C1208-L1248 WeakPolarHBondContact CA-O 3.49Å; V1209-L1248 PolarHBondContact N-O 3.09Å; V1209-L1248 PolarHBondContact O-N 2.96Å; L1212-L1248 HydrophobicContact CD2-CD2 4.42Å; L1220-L1248 HydrophobicContact CD1-CD2 3.95Å; I1222-L1248 HydrophobicContact CD1-CD1 3.8Å; V1229-L1248 HydrophobicContact CG2-CB 4.01Å; L1248-V1250 HydrophobicContact CD2-CG1 4.33Å; L1248-V1250 HydrophobicContact CG-CG1 4.13Å; L1248-L1286 HydrophobicContact CD2-CD1 4.18Å |
| 1249 | E | 88.8 | Confident | 72.5 | Confident | 28 Ų | 28 | 55 Ų | 55 | 13% | 0.131 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 131.2 | 171.1 | -62.1 | -173 | 125.7 | 0 | 0 | 111.2 | K1206 G1207 S1236 C1238 Y1303 | K1206-E1249 WeakPolarHBondContact CE-OE1 3.49Å; K1206-E1249 IonicContact NZ-OE1 3.72Å; K1206-E1249 PolarHBondContact NZ-OE1 3.05Å; G1207-E1249 WeakPolarHBondContact O-CA 3.48Å; S1236-E1249 WeakPolarHBondContact CA-OE2 3.32Å; S1236-E1249 WeakPolarHBondContact CB-OE2 3.34Å; S1236-E1249 PolarHBondContact O-N 2.85Å; C1238-E1249 HydrophobicContact CB-CG 4.05Å; E1249-Y1303 HydrophobicContact CB-CD1 4.12Å; E1249-Y1303 HydrophobicContact CB-CG 4.31Å; E1249-Y1303 WeakPolarHBondContact O-CB 3.36Å |
| 1250 | V | 92 | Very high | 73 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 159.4 | -177 | -64.2 | 0 | 0 | 0 | 0 | 111.9 | L1188 G1207 V1209 L1248 V1252 L1286 I1300 M1301 | L1188-V1250 HydrophobicContact CD1-CG2 4.16Å; G1207-V1250 VanDerWaalsContact C-CG2 3.42Å; G1207-V1250 PolarHBondContact N-O 3.43Å; G1207-V1250 PolarHBondContact O-N 3.31Å; V1209-V1250 HydrophobicContact CB-CG1 4.31Å; V1209-V1250 HydrophobicContact CG2-CB 4.49Å; V1209-V1250 HydrophobicContact CG2-CG1 3.78Å; V1209-V1250 HydrophobicContact CG2-CG2 3.94Å; L1248-V1250 HydrophobicContact CD2-CG1 4.33Å; L1248-V1250 HydrophobicContact CG-CG1 4.13Å; V1250-V1252 HydrophobicContact CG2-CG2 3.83Å; V1250-L1286 HydrophobicContact CB-CD1 4.49Å; V1250-L1286 HydrophobicContact CG1-CD1 3.57Å; V1250-I1300 HydrophobicContact CB-CG2 3.66Å; V1250-I1300 HydrophobicContact CG1-CG2 3.79Å; V1250-I1300 HydrophobicContact CG2-CG2 3.81Å; V1250-M1301 WeakPolarHBondContact CA-O 3.46Å; V1250-M1301 WeakPolarHBondContact CB-O 3.21Å |
| 1251 | A | 92.1 | Very high | 73.5 | Confident | 8 Ų | 8 | 52.5 Ų | 52.5 | 7% | 0.066 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 126.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | L1196 V1204 M1301 | L1196-A1251 HydrophobicContact CD1-CB 4.13Å; V1204-A1251 HydrophobicContact CG1-CB 4.05Å; A1251-M1301 HydrophobicContact CB-CB 4.44Å; A1251-M1301 HydrophobicContact CB-CE 4.08Å; A1251-M1301 PolarHBondContact N-O 3.32Å; A1251-M1301 PolarHBondContact O-N 3.29Å |
| 1252 | V | 91.8 | Very high | 74.3 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 101 | -175.8 | -171.6 | 0 | 0 | 0 | 0 | 109.6 | L1188 I1190 V1204 Y1205 V1250 T1254 V1298 I1299 | L1188-V1252 HydrophobicContact CD1-CG2 4.06Å; L1188-V1252 HydrophobicContact CD2-CG1 4.49Å; I1190-V1252 HydrophobicContact CD1-CG1 3.85Å; I1190-V1252 HydrophobicContact CG1-CG1 4.21Å; I1190-V1252 HydrophobicContact CG1-CG2 4.39Å; V1204-V1252 WeakPolarHBondContact CA-O 3.17Å; Y1205-V1252 PolarHBondContact N-O 3.28Å; Y1205-V1252 PolarHBondContact O-N 2.88Å; V1250-V1252 HydrophobicContact CG2-CG2 3.83Å; V1252-T1254 HydrophobicContact CG1-CG2 4.33Å; V1252-V1298 HydrophobicContact CG1-CB 3.91Å; V1252-V1298 HydrophobicContact CG1-CG2 3.89Å; V1252-I1299 CarbonylContact C-O 3.55Å; V1252-I1299 WeakPolarHBondContact CA-O 3.47Å |
| 1253 | K | 90.4 | Very high | 75.3 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 2% | 0.022 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 131.2 | 172.6 | -162.5 | -179.3 | -157.3 | -177.6 | 0 | 108.4 | V1204 F1267 E1270 V1298 I1299 M1301 D1373 | V1204-K1253 HydrophobicContact CG2-CB 4.29Å; V1204-K1253 HydrophobicContact CG2-CG 4.05Å; K1253-F1267 HydrophobicContact CB-CZ 4.4Å; K1253-F1267 HydrophobicContact CD-CE2 4.1Å; K1253-F1267 HydrophobicContact CG-CE2 3.97Å; K1253-F1267 HydrophobicContact CG-CZ 4.28Å; K1253-E1270 IonicContact NZ-OE1 3.5Å; K1253-E1270 PolarHBondContact NZ-OE1 2.79Å; K1253-E1270 IonicContact NZ-OE2 3.96Å; K1253-E1270 PolarHBondContact NZ-OE2 3.42Å; K1253-V1298 CarbonylContact O-C 3.5Å; K1253-V1298 VanDerWaalsContact O-CA 3.3Å; K1253-V1298 WeakPolarHBondContact O-CA 3.34Å; K1253-V1298 WeakPolarHBondContact O-CB 3.27Å; K1253-I1299 HydrophobicContact CB-CB 4.22Å; K1253-I1299 PolarHBondContact N-O 2.82Å; K1253-I1299 PolarHBondContact O-N 2.96Å; K1253-M1301 HydrophobicContact CB-CE 3.91Å; K1253-D1373 IonicContact NZ-OD1 2.74Å; K1253-D1373 PolarHBondContact NZ-OD1 2.66Å |
| 1254 | T | 88.3 | Confident | 76.6 | Confident | 11 Ų | 11 | 41 Ų | 41 | 7% | 0.067 | 26% | 0.264 | C | S | . | . | trans | -120.7 | 161.4 | -179.2 | 62.1 | 0 | 0 | 0 | 0 | 110.3 | G1202 M1203 Y1205 V1252 V1298 | G1202-T1254 CarbonylContact C-O 3.23Å; G1202-T1254 WeakPolarHBondContact CA-O 3.21Å; M1203-T1254 PolarHBondContact N-OG1 2.67Å; M1203-T1254 PolarHBondContact O-N 3.35Å; M1203-T1254 PolarHBondContact O-OG1 3.32Å; Y1205-T1254 HydrophobicContact CD2-CG2 3.77Å; Y1205-T1254 HydrophobicContact CE2-CG2 4.07Å; V1252-T1254 HydrophobicContact CG1-CG2 4.33Å; T1254-V1298 HydrophobicContact CG2-CB 4.34Å; T1254-V1298 HydrophobicContact CG2-CG1 3.81Å | ||
| 1255 | L | 80.8 | Confident | 77.6 | Confident | 15 Ų | 15 | 40 Ų | 40 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | trans | -85.3 | 151 | 167.2 | -78.5 | 156.7 | 0 | 0 | 0 | 110.8 | F1201 S1259 D1263 I1264 F1267 P1297 | F1201-L1255 HydrophobicContact CB-CD2 4.02Å; F1201-L1255 WeakPolarHBondContact O-CA 3.27Å; L1255-S1259 WeakPolarHBondContact CD2-OG 3.49Å; L1255-D1263 HydrophobicContact CD2-CB 4.44Å; L1255-I1264 HydrophobicContact CD1-CG1 3.85Å; L1255-F1267 HydrophobicContact CD1-CB 4.41Å; L1255-F1267 HydrophobicContact CD1-CD1 4.01Å; L1255-F1267 HydrophobicContact CD1-CE1 4.36Å; L1255-F1267 HydrophobicContact CD1-CG 4.12Å; L1255-F1267 HydrophobicContact CD2-CB 4.06Å; L1255-F1267 HydrophobicContact CD2-CD2 3.83Å; L1255-F1267 HydrophobicContact CD2-CE2 4.36Å; L1255-F1267 HydrophobicContact CD2-CG 3.96Å; L1255-F1267 HydrophobicContact CG-CB 4.43Å; L1255-F1267 HydrophobicContact CG-CD1 4.12Å; L1255-F1267 HydrophobicContact CG-CD2 3.9Å; L1255-F1267 HydrophobicContact CG-CE1 4.26Å; L1255-F1267 HydrophobicContact CG-CE2 4.05Å; L1255-F1267 HydrophobicContact CG-CG 3.92Å; L1255-F1267 HydrophobicContact CG-CZ 4.22Å; L1255-P1297 HydrophobicContact CD1-CG 3.81Å | ||
| 1256 | F | 78.6 | Confident | 78.3 | Confident | 60 Ų | 60 | 40.4 Ų | 40.4 | 26% | 0.263 | 23% | 0.231 | S | C | . | . | trans | -64.1 | 147.4 | 168.3 | -68.8 | -61.5 | 0 | 0 | 0 | 110.5 | R1198 F1201 G1202 M1203 A1258 S1259 | R1198-F1256 HydrophobicContact CG-CZ 4.13Å; F1201-F1256 VanDerWaalsContact C-CD2 3.5Å; F1201-F1256 WeakPolarHBondContact O-CD2 3.31Å; F1201-F1256 PolarHBondContact O-N 3.41Å; G1202-F1256 VanDerWaalsContact CA-CE2 3.46Å; G1202-F1256 VanDerWaalsContact CA-CZ 3.43Å; M1203-F1256 HydrophobicContact CG-CE1 4.31Å; M1203-F1256 HydrophobicContact SD-CE1 4.24Å; F1256-A1258 PolarHBondContact O-N 2.83Å; F1256-S1259 PolarHBondContact N-OG 3.44Å; F1256-S1259 PolarHBondContact O-N 2.81Å; F1256-S1259 VanDerWaalsContact O-N 3.09Å; F1256-S1259 PolarHBondContact O-OG 2.87Å | ||
| 1257 | P | 70.4 | Confident | 79 | Confident | 134 Ų | 134 | 39.4 Ų | 39.4 | 87% | 0.87 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | 8.2 | 179.2 | -24.5 | 35 | 0 | 0 | 0 | 117 | ||
| 1258 | A | 67.4 | Low | 79.2 | Confident | 93 Ų | 93 | 40.2 Ų | 40.2 | 77% | 0.769 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -136.4 | 18.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F1256 | F1256-A1258 PolarHBondContact O-N 2.83Š|
| 1259 | S | 69.3 | Low | 78.8 | Confident | 20 Ų | 20 | 43.3 Ų | 43.3 | 14% | 0.14 | 24% | 0.244 | C | C | . | . | trans | -62.5 | 143.6 | 176.4 | -72.7 | 0 | 0 | 0 | 0 | 112.3 | L1255 F1256 | L1255-S1259 WeakPolarHBondContact CD2-OG 3.49Å; F1256-S1259 PolarHBondContact N-OG 3.44Å; F1256-S1259 PolarHBondContact O-N 2.81Å; F1256-S1259 VanDerWaalsContact O-N 3.09Å; F1256-S1259 PolarHBondContact O-OG 2.87Å | ||
| 1260 | T | 72.2 | Confident | 78.4 | Confident | 75 Ų | 75 | 42.1 Ų | 42.1 | 46% | 0.46 | 24% | 0.239 | S | C | . | . | trans | -84.5 | 170.2 | 179.1 | 70.4 | 0 | 0 | 0 | 0 | 112.2 | D1262 D1263 I1264 | T1260-D1262 PolarHBondContact O-N 3.16Å; T1260-D1262 PolarHBondContact OG1-N 2.89Å; T1260-D1263 VanDerWaalsContact CB-OD2 3.3Å; T1260-D1263 WeakPolarHBondContact CB-OD2 3.43Å; T1260-D1263 WeakPolarHBondContact CG2-OD2 3.17Å; T1260-D1263 PolarHBondContact N-OD2 3.05Å; T1260-D1263 WeakPolarHBondContact O-CB 3.48Å; T1260-D1263 PolarHBondContact O-N 3.45Å; T1260-D1263 PolarHBondContact OG1-N 2.75Å; T1260-D1263 VanDerWaalsContact OG1-N 3.15Å; T1260-D1263 PolarHBondContact OG1-OD2 3.46Å; T1260-I1264 WeakPolarHBondContact O-CG1 3.29Å; T1260-I1264 PolarHBondContact O-N 2.91Å | ||
| 1261 | M | 69 | Low | 78 | Confident | 69 Ų | 69 | 42.1 Ų | 42.1 | 34% | 0.34 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.2 | -23.7 | 172.3 | -73.2 | -52.3 | -55.4 | 0 | 0 | 113.9 | E1168 I1264 R1265 | E1168-M1261 HydrophobicContact CG-CE 4.32Å; M1261-I1264 HydrophobicContact CE-CG2 4.36Å; M1261-I1264 HydrophobicContact SD-CD1 3.84Å; M1261-R1265 VanDerWaalsContact O-CG 3.31Å; M1261-R1265 WeakPolarHBondContact O-CG 3.48Å; M1261-R1265 PolarHBondContact O-N 3.04Å |
| 1262 | D | 67.2 | Low | 77.5 | Confident | 98 Ų | 98 | 42.5 Ų | 42.5 | 52% | 0.524 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -84.3 | -32.1 | 175.6 | -67.9 | -40.6 | 0 | 0 | 0 | 111.6 | T1260 I1264 R1265 E1266 | T1260-D1262 PolarHBondContact O-N 3.16Å; T1260-D1262 PolarHBondContact OG1-N 2.89Å; D1262-I1264 VanDerWaalsContact C-N 3.34Å; D1262-R1265 PolarHBondContact O-N 3.22Å; D1262-R1265 IonicContact OD1-CZ 2.71Å; D1262-R1265 IonicContact OD1-NH1 3.08Å; D1262-R1265 PolarHBondContact OD1-NH1 3.4Å; D1262-E1266 PolarHBondContact O-N 2.9Å |
| 1263 | D | 70.2 | Confident | 76.8 | Confident | 54 Ų | 54 | 44 Ų | 44 | 29% | 0.289 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.2 | -43.6 | 165.8 | -60.3 | -69.7 | 0 | 0 | 0 | 111 | L1255 T1260 R1265 E1266 F1267 | L1255-D1263 HydrophobicContact CD2-CB 4.44Å; T1260-D1263 VanDerWaalsContact CB-OD2 3.3Å; T1260-D1263 WeakPolarHBondContact CB-OD2 3.43Å; T1260-D1263 WeakPolarHBondContact CG2-OD2 3.17Å; T1260-D1263 PolarHBondContact N-OD2 3.05Å; T1260-D1263 WeakPolarHBondContact O-CB 3.48Å; T1260-D1263 PolarHBondContact O-N 3.45Å; T1260-D1263 PolarHBondContact OG1-N 2.75Å; T1260-D1263 VanDerWaalsContact OG1-N 3.15Å; T1260-D1263 PolarHBondContact OG1-OD2 3.46Å; D1263-R1265 VanDerWaalsContact C-N 3.32Å; D1263-R1265 PolarHBondContact O-N 3.03Å; D1263-E1266 PolarHBondContact O-N 2.86Å; D1263-F1267 VanDerWaalsContact O-CB 3.31Å; D1263-F1267 WeakPolarHBondContact O-CB 3.42Å; D1263-F1267 PolarHBondContact O-N 2.86Å |
| 1264 | I | 76.6 | Confident | 76.5 | Confident | 15 Ų | 15 | 43.9 Ų | 43.9 | 8% | 0.077 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -39.9 | 175.7 | -70.3 | 162.6 | 0 | 0 | 0 | 110.8 | L1255 T1260 M1261 D1262 F1267 Y1268 | L1255-I1264 HydrophobicContact CD1-CG1 3.85Å; T1260-I1264 WeakPolarHBondContact O-CG1 3.29Å; T1260-I1264 PolarHBondContact O-N 2.91Å; M1261-I1264 HydrophobicContact CE-CG2 4.36Å; M1261-I1264 HydrophobicContact SD-CD1 3.84Å; D1262-I1264 VanDerWaalsContact C-N 3.34Å; I1264-F1267 PolarHBondContact O-N 2.97Å; I1264-Y1268 HydrophobicContact CG2-CD2 3.75Å; I1264-Y1268 HydrophobicContact CG2-CE2 3.62Å; I1264-Y1268 VanDerWaalsContact O-CD2 3.28Å; I1264-Y1268 WeakPolarHBondContact O-CD2 3.29Å; I1264-Y1268 PolarHBondContact O-N 3.19Å |
| 1265 | R | 74.9 | Confident | 76.3 | Confident | 53 Ų | 53 | 45.5 Ų | 45.5 | 20% | 0.2 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.5 | -46.1 | 172.8 | -77.2 | 173.2 | -172.6 | 109 | 20.8 | 112.4 | E1171 M1261 D1262 D1263 F1267 Y1268 N1269 | E1171-R1265 IonicContact OE1-CZ 3.67Å; E1171-R1265 VanDerWaalsContact OE1-CZ 3.25Å; E1171-R1265 IonicContact OE1-NE 3.49Å; E1171-R1265 PolarHBondContact OE1-NE 3.43Å; E1171-R1265 IonicContact OE1-NH2 3.01Å; E1171-R1265 PolarHBondContact OE1-NH2 3.39Å; M1261-R1265 VanDerWaalsContact O-CG 3.31Å; M1261-R1265 WeakPolarHBondContact O-CG 3.48Å; M1261-R1265 PolarHBondContact O-N 3.04Å; D1262-R1265 PolarHBondContact O-N 3.22Å; D1262-R1265 IonicContact OD1-CZ 2.71Å; D1262-R1265 IonicContact OD1-NH1 3.08Å; D1262-R1265 PolarHBondContact OD1-NH1 3.4Å; D1263-R1265 VanDerWaalsContact C-N 3.32Å; D1263-R1265 PolarHBondContact O-N 3.03Å; R1265-F1267 PolarHBondContact O-N 3.12Å; R1265-Y1268 PolarHBondContact O-N 2.77Å; R1265-N1269 WeakPolarHBondContact O-CB 3.23Å; R1265-N1269 PolarHBondContact O-N 3.46Å; R1265-N1269 PolarHBondContact O-ND2 3.06Å |
| 1266 | E | 73.4 | Confident | 76.3 | Confident | 78 Ų | 78 | 50 Ų | 50 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.1 | -33.7 | 178.1 | -68.3 | -142.6 | 127.5 | 0 | 0 | 111.5 | F1201 D1262 D1263 N1269 E1270 R1378 | F1201-E1266 HydrophobicContact CE1-CB 3.58Å; F1201-E1266 HydrophobicContact CZ-CB 3.57Å; D1262-E1266 PolarHBondContact O-N 2.9Å; D1263-E1266 PolarHBondContact O-N 2.86Å; E1266-N1269 PolarHBondContact O-N 3.35Å; E1266-E1270 PolarHBondContact O-N 3.07Å; E1266-R1378 IonicContact OE1-NH2 2.67Å; E1266-R1378 PolarHBondContact OE1-NH2 3.31Å |
| 1267 | F | 81.2 | Confident | 76.7 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.4 | -46.5 | 173.5 | -158.8 | -99.5 | 0 | 0 | 0 | 113 | F1201 K1253 L1255 D1263 I1264 R1265 N1269 E1270 A1271 P1297 I1299 | F1201-F1267 HydrophobicContact CB-CD2 3.67Å; F1201-F1267 HydrophobicContact CB-CE2 4.07Å; F1201-F1267 AromaticContact CD2-CD2 3.87Å; F1201-F1267 HydrophobicContact CD2-CD2 3.87Å; F1201-F1267 AromaticContact CG-CD2 3.91Å; F1201-F1267 HydrophobicContact CG-CD2 3.91Å; K1253-F1267 HydrophobicContact CB-CZ 4.4Å; K1253-F1267 HydrophobicContact CD-CE2 4.1Å; K1253-F1267 HydrophobicContact CG-CE2 3.97Å; K1253-F1267 HydrophobicContact CG-CZ 4.28Å; L1255-F1267 HydrophobicContact CD1-CB 4.41Å; L1255-F1267 HydrophobicContact CD1-CD1 4.01Å; L1255-F1267 HydrophobicContact CD1-CE1 4.36Å; L1255-F1267 HydrophobicContact CD1-CG 4.12Å; L1255-F1267 HydrophobicContact CD2-CB 4.06Å; L1255-F1267 HydrophobicContact CD2-CD2 3.83Å; L1255-F1267 HydrophobicContact CD2-CE2 4.36Å; L1255-F1267 HydrophobicContact CD2-CG 3.96Å; L1255-F1267 HydrophobicContact CG-CB 4.43Å; L1255-F1267 HydrophobicContact CG-CD1 4.12Å; L1255-F1267 HydrophobicContact CG-CD2 3.9Å; L1255-F1267 HydrophobicContact CG-CE1 4.26Å; L1255-F1267 HydrophobicContact CG-CE2 4.05Å; L1255-F1267 HydrophobicContact CG-CG 3.92Å; L1255-F1267 HydrophobicContact CG-CZ 4.22Å; D1263-F1267 VanDerWaalsContact O-CB 3.31Å; D1263-F1267 WeakPolarHBondContact O-CB 3.42Å; D1263-F1267 PolarHBondContact O-N 2.86Å; I1264-F1267 PolarHBondContact O-N 2.97Å; R1265-F1267 PolarHBondContact O-N 3.12Å; F1267-N1269 VanDerWaalsContact C-N 3.3Å; F1267-N1269 PolarHBondContact O-N 3.01Å; F1267-E1270 PolarHBondContact O-N 3.45Å; F1267-A1271 PolarHBondContact O-N 2.94Å; F1267-P1297 HydrophobicContact CD1-CB 4.13Å; F1267-P1297 HydrophobicContact CD1-CG 3.74Å; F1267-P1297 HydrophobicContact CE1-CB 4.17Å; F1267-P1297 HydrophobicContact CE1-CG 4.14Å; F1267-P1297 VanDerWaalsContact CE1-O 3.28Å; F1267-P1297 WeakPolarHBondContact CE1-O 3.47Å; F1267-I1299 HydrophobicContact CD1-CD1 3.74Å; F1267-I1299 HydrophobicContact CD1-CG1 4.1Å; F1267-I1299 HydrophobicContact CD2-CD1 4.28Å; F1267-I1299 HydrophobicContact CE1-CB 4.33Å; F1267-I1299 HydrophobicContact CE1-CD1 3.55Å; F1267-I1299 HydrophobicContact CE1-CG1 3.56Å; F1267-I1299 HydrophobicContact CE2-CD1 4.12Å; F1267-I1299 HydrophobicContact CG-CD1 4.12Å; F1267-I1299 HydrophobicContact CZ-CB 4.31Å; F1267-I1299 HydrophobicContact CZ-CD1 3.76Å; F1267-I1299 HydrophobicContact CZ-CG1 3.95Å |
| 1268 | Y | 82.9 | Confident | 77.4 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 7% | 0.071 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -64 | -34.2 | 172.2 | -80.5 | -56.6 | 0 | 0 | 0 | 112.4 | L1172 I1177 I1264 R1265 A1271 S1272 I1288 P1297 | L1172-Y1268 HydrophobicContact CD1-CE1 4.45Å; L1172-Y1268 HydrophobicContact CD2-CD1 4.17Å; L1172-Y1268 HydrophobicContact CD2-CE1 3.63Å; L1172-Y1268 HydrophobicContact CG-CD1 4.39Å; L1172-Y1268 HydrophobicContact CG-CE1 3.69Å; I1177-Y1268 HydrophobicContact CD1-CD1 4.2Å; I1264-Y1268 HydrophobicContact CG2-CD2 3.75Å; I1264-Y1268 HydrophobicContact CG2-CE2 3.62Å; I1264-Y1268 VanDerWaalsContact O-CD2 3.28Å; I1264-Y1268 WeakPolarHBondContact O-CD2 3.29Å; I1264-Y1268 PolarHBondContact O-N 3.19Å; R1265-Y1268 PolarHBondContact O-N 2.77Å; Y1268-A1271 PolarHBondContact O-N 2.77Å; Y1268-S1272 VanDerWaalsContact O-CB 3.31Å; Y1268-S1272 WeakPolarHBondContact O-CB 3.49Å; Y1268-S1272 PolarHBondContact O-N 2.65Å; Y1268-I1288 HydrophobicContact CD1-CD1 4.16Å; Y1268-I1288 HydrophobicContact CE1-CD1 4.25Å; Y1268-P1297 HydrophobicContact CD1-CB 4.42Å; Y1268-P1297 HydrophobicContact CD1-CG 4.43Å; Y1268-P1297 HydrophobicContact CD2-CG 4.47Å; Y1268-P1297 HydrophobicContact CE1-CB 3.69Å; Y1268-P1297 HydrophobicContact CE1-CG 3.88Å; Y1268-P1297 HydrophobicContact CE2-CG 3.94Å |
| 1269 | N | 77.3 | Confident | 78.4 | Confident | 75 Ų | 75 | 43 Ų | 43 | 40% | 0.401 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.2 | -38.7 | 173 | -77.9 | -63.2 | 0 | 0 | 0 | 112 | R1265 E1266 F1267 S1272 F1273 | R1265-N1269 WeakPolarHBondContact O-CB 3.23Å; R1265-N1269 PolarHBondContact O-N 3.46Å; R1265-N1269 PolarHBondContact O-ND2 3.06Å; E1266-N1269 PolarHBondContact O-N 3.35Å; F1267-N1269 VanDerWaalsContact C-N 3.3Å; F1267-N1269 PolarHBondContact O-N 3.01Å; N1269-S1272 WeakPolarHBondContact O-CB 3.26Å; N1269-S1272 PolarHBondContact O-N 2.95Å; N1269-F1273 WeakPolarHBondContact O-CD2 3.13Å; N1269-F1273 PolarHBondContact O-N 3.24Å |
| 1270 | E | 81.2 | Confident | 79.4 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.9 | -48.5 | 173.5 | -175.9 | 176.6 | -175.1 | 0 | 0 | 111 | F1201 K1253 E1266 F1267 S1272 F1273 M1274 F1374 | F1201-E1270 WeakPolarHBondContact CE2-OE2 3.11Å; K1253-E1270 IonicContact NZ-OE1 3.5Å; K1253-E1270 PolarHBondContact NZ-OE1 2.79Å; K1253-E1270 IonicContact NZ-OE2 3.96Å; K1253-E1270 PolarHBondContact NZ-OE2 3.42Å; E1266-E1270 PolarHBondContact O-N 3.07Å; F1267-E1270 PolarHBondContact O-N 3.45Å; E1270-S1272 VanDerWaalsContact C-N 3.31Å; E1270-S1272 PolarHBondContact O-N 2.88Å; E1270-F1273 PolarHBondContact O-N 2.99Å; E1270-M1274 HydrophobicContact CG-CG 4.47Å; E1270-M1274 HydrophobicContact CG-SD 4.21Å; E1270-M1274 WeakPolarHBondContact O-CG 3.07Å; E1270-M1274 PolarHBondContact O-N 3.07Å; E1270-F1374 HydrophobicContact CG-CB 4.11Å; E1270-F1374 PolarHBondContact OE1-N 3.33Å |
| 1271 | A | 83.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -40.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1177 F1267 Y1268 F1273 M1274 K1275 F1285 I1288 I1299 | I1177-A1271 HydrophobicContact CD1-CB 3.8Å; F1267-A1271 PolarHBondContact O-N 2.94Å; Y1268-A1271 PolarHBondContact O-N 2.77Å; A1271-F1273 VanDerWaalsContact C-N 3.35Å; A1271-F1273 PolarHBondContact O-N 3.22Å; A1271-M1274 PolarHBondContact O-N 2.94Å; A1271-K1275 VanDerWaalsContact O-CB 3.26Å; A1271-K1275 WeakPolarHBondContact O-CB 3.41Å; A1271-K1275 PolarHBondContact O-N 2.95Å; A1271-F1285 HydrophobicContact CB-CE2 3.81Å; A1271-F1285 HydrophobicContact CB-CZ 4.18Å; A1271-I1288 HydrophobicContact CB-CD1 3.53Å; A1271-I1288 HydrophobicContact CB-CG1 4.32Å; A1271-I1299 HydrophobicContact CB-CD1 3.81Å; A1271-I1299 HydrophobicContact CB-CG1 3.91Å |
| 1272 | S | 80.7 | Confident | 81.6 | Confident | 17 Ų | 17 | 43.1 Ų | 43.1 | 12% | 0.119 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.4 | -43.7 | 175.6 | -176.3 | 0 | 0 | 0 | 0 | 112.2 | A1175 Y1268 N1269 E1270 Q1276 | A1175-S1272 WeakPolarHBondContact O-CB 3.48Å; A1175-S1272 PolarHBondContact O-OG 3.49Å; Y1268-S1272 VanDerWaalsContact O-CB 3.31Å; Y1268-S1272 WeakPolarHBondContact O-CB 3.49Å; Y1268-S1272 PolarHBondContact O-N 2.65Å; N1269-S1272 WeakPolarHBondContact O-CB 3.26Å; N1269-S1272 PolarHBondContact O-N 2.95Å; E1270-S1272 VanDerWaalsContact C-N 3.31Å; E1270-S1272 PolarHBondContact O-N 2.88Å; S1272-Q1276 PolarHBondContact O-NE2 3.11Å |
| 1273 | F | 76.8 | Confident | 82.8 | Confident | 30 Ų | 30 | 38.6 Ų | 38.6 | 13% | 0.132 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.9 | -54 | 174.1 | -75.4 | -56.5 | 0 | 0 | 0 | 110.7 | N1269 E1270 A1271 K1275 Q1276 L1277 A1377 L1379 | N1269-F1273 WeakPolarHBondContact O-CD2 3.13Å; N1269-F1273 PolarHBondContact O-N 3.24Å; E1270-F1273 PolarHBondContact O-N 2.99Å; A1271-F1273 VanDerWaalsContact C-N 3.35Å; A1271-F1273 PolarHBondContact O-N 3.22Å; F1273-K1275 VanDerWaalsContact C-N 3.3Å; F1273-K1275 PolarHBondContact O-N 2.91Å; F1273-Q1276 WeakPolarHBondContact O-CB 3.47Å; F1273-Q1276 PolarHBondContact O-N 3.26Å; F1273-L1277 WeakPolarHBondContact O-CG 3.43Å; F1273-A1377 WeakPolarHBondContact CE2-O 3.16Å; F1273-L1379 HydrophobicContact CE1-CB 3.85Å; F1273-L1379 HydrophobicContact CZ-CB 4.5Å |
| 1274 | M | 84.4 | Confident | 83.7 | Confident | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.015 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.1 | -35 | -175.6 | -62.9 | -176.2 | 66 | 0 | 0 | 113.2 | E1270 A1271 Q1276 L1277 V1283 F1285 M1301 F1374 | E1270-M1274 HydrophobicContact CG-CG 4.47Å; E1270-M1274 HydrophobicContact CG-SD 4.21Å; E1270-M1274 WeakPolarHBondContact O-CG 3.07Å; E1270-M1274 PolarHBondContact O-N 3.07Å; A1271-M1274 PolarHBondContact O-N 2.94Å; M1274-Q1276 PolarHBondContact O-N 3.44Å; M1274-Q1276 VanDerWaalsContact O-N 3.16Å; M1274-L1277 PolarHBondContact O-N 3.03Å; M1274-L1277 VanDerWaalsContact O-N 3.08Å; M1274-V1283 HydrophobicContact CE-CG1 4.3Å; M1274-V1283 VanDerWaalsContact CE-O 3.24Å; M1274-V1283 WeakPolarHBondContact CE-O 3.18Å; M1274-F1285 HydrophobicContact CB-CB 3.81Å; M1274-F1285 HydrophobicContact CB-CD2 4.25Å; M1274-F1285 HydrophobicContact CB-CG 4.28Å; M1274-M1301 HydrophobicContact CE-CG 4.02Å; M1274-M1301 HydrophobicContact CE-SD 3.79Å; M1274-M1301 HydrophobicContact SD-SD 4.27Å; M1274-F1374 HydrophobicContact CE-CD2 4.43Å; M1274-F1374 HydrophobicContact CG-CB 4.05Å; M1274-F1374 HydrophobicContact CG-CD2 3.68Å; M1274-F1374 HydrophobicContact CG-CG 4.09Å; M1274-F1374 HydrophobicContact SD-CD2 4.13Å |
| 1275 | K | 84.8 | Confident | 84.4 | Confident | 46 Ų | 46 | 36.9 Ų | 36.9 | 20% | 0.2 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -54.5 | -30.3 | 172.6 | 171 | 177.1 | 167.1 | 174 | 0 | 113.3 | G1176 I1177 S1178 W1181 A1271 F1273 F1285 | G1176-K1275 PolarHBondContact O-NZ 3.2Å; I1177-K1275 HydrophobicContact CG1-CD 4.39Å; S1178-K1275 PolarHBondContact OG-NZ 3.47Å; W1181-K1275 VanDerWaalsContact CD1-NZ 3.29Å; W1181-K1275 HydrophobicContact CD2-CD 4.13Å; W1181-K1275 HydrophobicContact CD2-CG 4.27Å; W1181-K1275 HydrophobicContact CG-CD 4.17Å; W1181-K1275 HydrophobicContact CH2-CG 4.41Å; W1181-K1275 HydrophobicContact CZ2-CD 4.48Å; W1181-K1275 HydrophobicContact CZ2-CG 4.09Å; A1271-K1275 VanDerWaalsContact O-CB 3.26Å; A1271-K1275 WeakPolarHBondContact O-CB 3.41Å; A1271-K1275 PolarHBondContact O-N 2.95Å; F1273-K1275 VanDerWaalsContact C-N 3.3Å; F1273-K1275 PolarHBondContact O-N 2.91Å; K1275-F1285 HydrophobicContact CB-CD1 3.85Å; K1275-F1285 HydrophobicContact CB-CE1 3.94Å; K1275-F1285 HydrophobicContact CG-CE1 4.5Å |
| 1276 | Q | 80.7 | Confident | 85.1 | Confident | 109 Ų | 109 | 34.4 Ų | 34.4 | 51% | 0.509 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -5 | -177.4 | -65.8 | 170.2 | 61.5 | 0 | 0 | 113.1 | S1272 F1273 M1274 | S1272-Q1276 PolarHBondContact O-NE2 3.11Å; F1273-Q1276 WeakPolarHBondContact O-CB 3.47Å; F1273-Q1276 PolarHBondContact O-N 3.26Å; M1274-Q1276 PolarHBondContact O-N 3.44Å; M1274-Q1276 VanDerWaalsContact O-N 3.16Å |
| 1277 | L | 86.6 | Confident | 86 | Confident | 11 Ų | 11 | 30.7 Ų | 30.7 | 6% | 0.058 | 15% | 0.152 | C | C | . | . | trans | -98.5 | 112.6 | -174.7 | -57.1 | 175.6 | 0 | 0 | 0 | 111 | F1273 M1274 I1282 Y1345 L1346 L1349 I1351 F1374 | F1273-L1277 WeakPolarHBondContact O-CG 3.43Å; M1274-L1277 PolarHBondContact O-N 3.03Å; M1274-L1277 VanDerWaalsContact O-N 3.08Å; L1277-I1282 HydrophobicContact CB-CD1 4.33Å; L1277-I1282 HydrophobicContact CB-CG2 4Å; L1277-I1282 HydrophobicContact CD1-CD1 4.31Å; L1277-I1282 HydrophobicContact CD1-CG2 3.84Å; L1277-I1282 HydrophobicContact CD2-CD1 4.41Å; L1277-Y1345 HydrophobicContact CB-CE1 4.39Å; L1277-Y1345 HydrophobicContact CD2-CE1 3.95Å; L1277-L1346 HydrophobicContact CD1-CD2 4.06Å; L1277-L1346 HydrophobicContact CD2-CD2 3.64Å; L1277-L1349 HydrophobicContact CD2-CD1 3.78Å; L1277-I1351 HydrophobicContact CD2-CD1 3.73Å; L1277-F1374 HydrophobicContact CD1-CD1 3.92Å; L1277-F1374 HydrophobicContact CD1-CD2 4.3Å; L1277-F1374 HydrophobicContact CD1-CE1 3.6Å; L1277-F1374 HydrophobicContact CD1-CE2 4Å; L1277-F1374 HydrophobicContact CD1-CG 4.27Å; L1277-F1374 HydrophobicContact CD1-CZ 3.65Å | ||
| 1278 | N | 85.3 | Confident | 86.5 | Confident | 106 Ų | 106 | 30.7 Ų | 30.7 | 57% | 0.567 | 15% | 0.152 | S | C | * | . | trans | -119.5 | 83.5 | 172.7 | -175.6 | 11.8 | 0 | 0 | 0 | 109.6 | Y1345 | N1278-Y1345 PolarHBondContact N-OH 3.36Å; N1278-Y1345 WeakPolarHBondContact O-CE2 3.1Å; N1278-Y1345 PolarHBondContact O-OH 2.9Å | ||
| 1279 | C | 88.5 | Confident | 86.8 | Confident | 22 Ų | 22 | 29.9 Ų | 29.9 | 15% | 0.149 | 15% | 0.148 | C | C | . | . | trans | -142 | 136.6 | 177.4 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | Y1281 I1282 Y1345 | C1279-Y1281 PolarHBondContact O-N 2.96Å; C1279-I1282 HydrophobicContact CB-CB 4.25Å; C1279-I1282 HydrophobicContact CB-CD1 3.84Å; C1279-I1282 HydrophobicContact CB-CG1 3.99Å; C1279-I1282 PolarHBondContact O-N 3.41Å; C1279-I1282 VanDerWaalsContact O-N 3.14Å; C1279-Y1345 HydrophobicContact CB-CD1 3.62Å; C1279-Y1345 HydrophobicContact CB-CD2 4.19Å; C1279-Y1345 HydrophobicContact CB-CE1 3.85Å; C1279-Y1345 HydrophobicContact CB-CE2 4.41Å; C1279-Y1345 HydrophobicContact CB-CG 3.79Å | ||
| 1280 | M | 89.4 | Confident | 87.1 | Confident | 116 Ų | 116 | 28.8 Ų | 28.8 | 57% | 0.571 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -23.9 | -179.5 | -172.5 | 177.5 | -179.7 | 0 | 0 | 113.7 | K1370 | M1280-K1370 WeakPolarHBondContact O-CD 3.1Å; M1280-K1370 WeakPolarHBondContact O-CE 3.28Å; M1280-K1370 PolarHBondContact O-NZ 3.31Å |
| 1281 | Y | 94.9 | Very high | 86.8 | Confident | 50 Ų | 50 | 34 Ų | 34 | 20% | 0.196 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 24.8 | -176.3 | -47.2 | -58 | 0 | 0 | 0 | 113.2 | C1279 Q1338 T1341 T1368 K1370 I1371 | C1279-Y1281 PolarHBondContact O-N 2.96Å; Y1281-Q1338 WeakPolarHBondContact CB-O 3.38Å; Y1281-Q1338 HydrophobicContact CD1-CB 3.7Å; Y1281-Q1338 HydrophobicContact CD1-CG 3.7Å; Y1281-Q1338 HydrophobicContact CD2-CB 4.49Å; Y1281-Q1338 HydrophobicContact CE1-CB 4.09Å; Y1281-Q1338 HydrophobicContact CE1-CG 3.54Å; Y1281-Q1338 HydrophobicContact CG-CB 3.93Å; Y1281-Q1338 HydrophobicContact CG-CG 4.3Å; Y1281-T1341 HydrophobicContact CD2-CG2 3.68Å; Y1281-T1341 HydrophobicContact CE2-CG2 3.85Å; Y1281-T1368 HydrophobicContact CD1-CG2 3.79Å; Y1281-T1368 HydrophobicContact CE1-CG2 3.79Å; Y1281-K1370 WeakPolarHBondContact O-CA 3.4Å; Y1281-I1371 PolarHBondContact O-N 2.98Å |
| 1282 | I | 92.9 | Very high | 86 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -125.2 | 139.9 | 169.6 | -65.2 | 178.4 | 0 | 0 | 0 | 107.7 | L1277 C1279 Q1284 Y1345 L1346 I1371 F1374 | L1277-I1282 HydrophobicContact CB-CD1 4.33Å; L1277-I1282 HydrophobicContact CB-CG2 4Å; L1277-I1282 HydrophobicContact CD1-CD1 4.31Å; L1277-I1282 HydrophobicContact CD1-CG2 3.84Å; L1277-I1282 HydrophobicContact CD2-CD1 4.41Å; C1279-I1282 HydrophobicContact CB-CB 4.25Å; C1279-I1282 HydrophobicContact CB-CD1 3.84Å; C1279-I1282 HydrophobicContact CB-CG1 3.99Å; C1279-I1282 PolarHBondContact O-N 3.41Å; C1279-I1282 VanDerWaalsContact O-N 3.14Å; I1282-Q1284 PolarHBondContact O-N 2.78Å; I1282-Y1345 HydrophobicContact CD1-CD1 3.62Å; I1282-Y1345 HydrophobicContact CD1-CE1 4.09Å; I1282-L1346 HydrophobicContact CD1-CD1 4.18Å; I1282-L1346 HydrophobicContact CD1-CD2 3.95Å; I1282-L1346 HydrophobicContact CD1-CG 3.81Å; I1282-I1371 HydrophobicContact CG1-CB 4.45Å; I1282-F1374 HydrophobicContact CG2-CE2 3.72Å; I1282-F1374 HydrophobicContact CG2-CZ 3.64Å |
| 1283 | V | 92 | Very high | 84.7 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -65.2 | 117.9 | 178.9 | 171.6 | 0 | 0 | 0 | 0 | 109.8 | M1274 M1301 E1302 M1304 L1362 K1370 I1371 A1372 | M1274-V1283 HydrophobicContact CE-CG1 4.3Å; M1274-V1283 VanDerWaalsContact CE-O 3.24Å; M1274-V1283 WeakPolarHBondContact CE-O 3.18Å; V1283-M1301 HydrophobicContact CG1-CB 3.97Å; V1283-M1301 HydrophobicContact CG1-CG 4.47Å; V1283-M1301 HydrophobicContact CG1-SD 4.34Å; V1283-E1302 WeakPolarHBondContact CA-OE1 3.25Å; V1283-E1302 HydrophobicContact CG1-CG 4.06Å; V1283-M1304 HydrophobicContact CG2-CG 4.16Å; V1283-M1304 HydrophobicContact CG2-SD 4.48Å; V1283-L1362 HydrophobicContact CG2-CB 4.32Å; V1283-L1362 HydrophobicContact CG2-CD1 4.14Å; V1283-L1362 HydrophobicContact CG2-CG 4.37Å; V1283-K1370 HydrophobicContact CG2-CB 3.74Å; V1283-I1371 PolarHBondContact N-O 3.18Å; V1283-A1372 HydrophobicContact CB-CB 4.26Å; V1283-A1372 HydrophobicContact CG2-CB 3.82Å |
| 1284 | Q | 89.3 | Confident | 83.9 | Confident | 28 Ų | 28 | 48.8 Ų | 48.8 | 13% | 0.131 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 131.1 | -172.8 | -168.5 | -175.9 | 9.3 | 0 | 0 | 111.8 | Q1219 I1282 L1286 M1301 E1302 | Q1219-Q1284 VanDerWaalsContact CB-NE2 3.35Å; I1282-Q1284 PolarHBondContact O-N 2.78Å; Q1284-L1286 HydrophobicContact CG-CD2 4.07Å; Q1284-M1301 VanDerWaalsContact O-CA 3.28Å; Q1284-M1301 WeakPolarHBondContact O-CA 3.41Å; Q1284-E1302 HydrophobicContact CB-CB 4.46Å; Q1284-E1302 HydrophobicContact CB-CG 4.3Å; Q1284-E1302 WeakPolarHBondContact CB-OE1 3.45Å; Q1284-E1302 PolarHBondContact N-OE1 3.13Å; Q1284-E1302 PolarHBondContact O-N 3.23Å; Q1284-E1302 VanDerWaalsContact O-N 3.16Å |
| 1285 | F | 90.9 | Very high | 82.9 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 124.8 | 168.7 | 178.6 | -102.1 | 0 | 0 | 0 | 110.2 | W1181 A1271 M1274 K1275 G1287 I1288 I1299 | W1181-F1285 HydrophobicContact CB-CE1 4.42Å; W1181-F1285 HydrophobicContact CD2-CE1 4.12Å; W1181-F1285 AromaticContact CE3-CD1 3.62Å; W1181-F1285 HydrophobicContact CE3-CD1 3.62Å; W1181-F1285 AromaticContact CE3-CE1 3.49Å; W1181-F1285 HydrophobicContact CE3-CE1 3.49Å; W1181-F1285 VanDerWaalsContact CE3-CE1 3.49Å; W1181-F1285 AromaticContact CZ3-CD1 3.73Å; W1181-F1285 HydrophobicContact CZ3-CD1 3.73Å; W1181-F1285 HydrophobicContact CZ3-CE1 4.1Å; A1271-F1285 HydrophobicContact CB-CE2 3.81Å; A1271-F1285 HydrophobicContact CB-CZ 4.18Å; M1274-F1285 HydrophobicContact CB-CB 3.81Å; M1274-F1285 HydrophobicContact CB-CD2 4.25Å; M1274-F1285 HydrophobicContact CB-CG 4.28Å; K1275-F1285 HydrophobicContact CB-CD1 3.85Å; K1275-F1285 HydrophobicContact CB-CE1 3.94Å; K1275-F1285 HydrophobicContact CG-CE1 4.5Å; F1285-G1287 WeakPolarHBondContact CE2-O 3.48Å; F1285-G1287 VanDerWaalsContact CZ-C 3.45Å; F1285-I1288 HydrophobicContact CE2-CD1 4.46Å; F1285-I1288 HydrophobicContact CE2-CG1 4.14Å; F1285-I1288 HydrophobicContact CZ-CD1 4.15Å; F1285-I1288 HydrophobicContact CZ-CG1 4Å; F1285-I1299 HydrophobicContact CD2-CG2 3.87Å; F1285-I1299 HydrophobicContact CE2-CG1 4.46Å; F1285-I1299 HydrophobicContact CE2-CG2 3.88Å |
| 1286 | L | 90.9 | Very high | 82.6 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | -28.3 | -179.8 | -56.4 | -177.4 | 0 | 0 | 0 | 112.2 | L1212 T1214 A1216 L1220 L1248 V1250 Q1284 I1300 | L1212-L1286 HydrophobicContact CD1-CB 4.32Å; T1214-L1286 WeakPolarHBondContact CB-O 3.24Å; T1214-L1286 WeakPolarHBondContact CG2-O 3.46Å; T1214-L1286 PolarHBondContact OG1-O 2.83Å; A1216-L1286 HydrophobicContact CB-CD2 3.91Å; L1220-L1286 HydrophobicContact CD1-CD2 3.87Å; L1248-L1286 HydrophobicContact CD2-CD1 4.18Å; V1250-L1286 HydrophobicContact CB-CD1 4.49Å; V1250-L1286 HydrophobicContact CG1-CD1 3.57Å; Q1284-L1286 HydrophobicContact CG-CD2 4.07Å; L1286-I1300 HydrophobicContact CB-CB 4.42Å; L1286-I1300 HydrophobicContact CB-CG2 4.07Å; L1286-I1300 HydrophobicContact CD1-CG2 4.3Å; L1286-I1300 PolarHBondContact N-O 3.41Å |
| 1287 | G | 91.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 160.3 | -172.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | W1181 F1285 I1300 | W1181-G1287 CarbonylContact O-C 3.5Å; W1181-G1287 VanDerWaalsContact O-CA 3.23Å; W1181-G1287 WeakPolarHBondContact O-CA 3.48Å; F1285-G1287 WeakPolarHBondContact CE2-O 3.48Å; F1285-G1287 VanDerWaalsContact CZ-C 3.45Å; G1287-I1300 PolarHBondContact N-O 2.75Å; G1287-I1300 WeakPolarHBondContact O-CD1 3.45Å; G1287-I1300 PolarHBondContact O-N 2.89Å |
| 1288 | I | 91.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 146.6 | 168.6 | -84.1 | 158.9 | 0 | 0 | 0 | 109.5 | I1177 W1181 I1182 I1183 Y1268 A1271 F1285 L1290 P1297 V1298 I1299 | I1177-I1288 HydrophobicContact CD1-CD1 3.82Å; I1177-I1288 HydrophobicContact CG2-CD1 4.26Å; W1181-I1288 PolarHBondContact O-N 3.49Å; I1182-I1288 CarbonylContact C-O 3.54Å; I1182-I1288 VanDerWaalsContact CA-O 3.27Å; I1182-I1288 WeakPolarHBondContact CA-O 3.25Å; I1183-I1288 PolarHBondContact N-O 3.47Å; Y1268-I1288 HydrophobicContact CD1-CD1 4.16Å; Y1268-I1288 HydrophobicContact CE1-CD1 4.25Å; A1271-I1288 HydrophobicContact CB-CD1 3.53Å; A1271-I1288 HydrophobicContact CB-CG1 4.32Å; F1285-I1288 HydrophobicContact CE2-CD1 4.46Å; F1285-I1288 HydrophobicContact CE2-CG1 4.14Å; F1285-I1288 HydrophobicContact CZ-CD1 4.15Å; F1285-I1288 HydrophobicContact CZ-CG1 4Å; I1288-L1290 HydrophobicContact CG2-CD2 3.97Å; I1288-P1297 HydrophobicContact CG2-CB 4.07Å; I1288-V1298 VanDerWaalsContact CA-O 3.22Å; I1288-V1298 WeakPolarHBondContact CA-O 3.4Å; I1288-I1299 HydrophobicContact CG1-CG1 4.07Å |
| 1289 | A | 89.3 | Confident | 83.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 153 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | I1183 M1185 L1188 P1297 V1298 I1300 | I1183-A1289 WeakPolarHBondContact O-CB 3.48Å; M1185-A1289 HydrophobicContact SD-CB 4.14Å; L1188-A1289 HydrophobicContact CD2-CB 3.73Å; A1289-P1297 WeakPolarHBondContact O-CA 3.34Å; A1289-V1298 HydrophobicContact CB-CG2 3.79Å; A1289-V1298 PolarHBondContact N-O 3.38Å; A1289-V1298 PolarHBondContact O-N 2.92Å; A1289-I1300 HydrophobicContact CB-CD1 3.96Å; A1289-I1300 VanDerWaalsContact N-CD1 3.28Å |
| 1290 | L | 85.1 | Confident | 83.4 | Confident | 53 Ų | 53 | 40.2 Ų | 40.2 | 28% | 0.277 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 111 | -179.7 | -60 | 179.7 | 0 | 0 | 0 | 109.5 | L1172 I1288 Q1292 P1297 | L1172-L1290 HydrophobicContact CD1-CD1 4.43Å; I1288-L1290 HydrophobicContact CG2-CD2 3.97Å; L1290-Q1292 PolarHBondContact O-N 3.49Å; L1290-P1297 HydrophobicContact CD2-CB 4.22Å |
| 1291 | R | 74.3 | Confident | 83.5 | Confident | 112 Ų | 112 | 35.4 Ų | 35.4 | 42% | 0.423 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 107.1 | -174.7 | -169.4 | 174.2 | -174.9 | 162.9 | 4.2 | 110.7 | S1294 S1295 H1296 | R1291-S1294 PolarHBondContact O-N 2.67Å; R1291-S1295 PolarHBondContact O-N 3Å; R1291-H1296 PolarHBondContact N-O 3.13Å |
| 1292 | Q | 66.4 | Low | 83.3 | Confident | 162 Ų | 162 | 34.4 Ų | 34.4 | 76% | 0.757 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 152.8 | 171.5 | -71.3 | -158 | 4 | 0 | 0 | 111.9 | L1290 | L1290-Q1292 PolarHBondContact O-N 3.49Š|
| 1293 | P | 54.7 | Low | 83.1 | Confident | 129 Ų | 129 | 36.8 Ų | 36.8 | 84% | 0.838 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -84 | -5.5 | 1.6 | 34.9 | -37 | 0 | 0 | 0 | 114.8 | S1295 | P1293-S1295 PolarHBondContact O-N 3.48Š|
| 1294 | S | 59 | Low | 83.1 | Confident | 66 Ų | 66 | 37 Ų | 37 | 46% | 0.462 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -1.3 | -172.4 | 65.3 | 0 | 0 | 0 | 0 | 115.1 | R1291 H1296 | R1291-S1294 PolarHBondContact O-N 2.67Å; S1294-H1296 PolarHBondContact O-N 3.37Å; S1294-H1296 PolarHBondContact O-ND1 3.47Å; S1294-H1296 PolarHBondContact OG-ND1 2.79Å |
| 1295 | S | 64.4 | Low | 83 | Confident | 60 Ų | 60 | 37.4 Ų | 37.4 | 42% | 0.42 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 20.4 | -177.3 | -58.7 | 0 | 0 | 0 | 0 | 114.7 | R1291 P1293 | R1291-S1295 PolarHBondContact O-N 3Å; P1293-S1295 PolarHBondContact O-N 3.48Å |
| 1296 | H | 77.8 | Confident | 82.9 | Confident | 51 Ų | 51 | 41.4 Ų | 41.4 | 24% | 0.236 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 132.5 | -179.3 | -77 | 31.9 | 0 | 0 | 0 | 109.7 | R1291 S1294 | R1291-H1296 PolarHBondContact N-O 3.13Å; S1294-H1296 PolarHBondContact O-N 3.37Å; S1294-H1296 PolarHBondContact O-ND1 3.47Å; S1294-H1296 PolarHBondContact OG-ND1 2.79Å |
| 1297 | P | 84.5 | Confident | 82.9 | Confident | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 143.8 | 175 | 28.8 | -35.6 | 0 | 0 | 0 | 111 | L1255 F1267 Y1268 I1288 A1289 L1290 | L1255-P1297 HydrophobicContact CD1-CG 3.81Å; F1267-P1297 HydrophobicContact CD1-CB 4.13Å; F1267-P1297 HydrophobicContact CD1-CG 3.74Å; F1267-P1297 HydrophobicContact CE1-CB 4.17Å; F1267-P1297 HydrophobicContact CE1-CG 4.14Å; F1267-P1297 VanDerWaalsContact CE1-O 3.28Å; F1267-P1297 WeakPolarHBondContact CE1-O 3.47Å; Y1268-P1297 HydrophobicContact CD1-CB 4.42Å; Y1268-P1297 HydrophobicContact CD1-CG 4.43Å; Y1268-P1297 HydrophobicContact CD2-CG 4.47Å; Y1268-P1297 HydrophobicContact CE1-CB 3.69Å; Y1268-P1297 HydrophobicContact CE1-CG 3.88Å; Y1268-P1297 HydrophobicContact CE2-CG 3.94Å; I1288-P1297 HydrophobicContact CG2-CB 4.07Å; A1289-P1297 WeakPolarHBondContact O-CA 3.34Å; L1290-P1297 HydrophobicContact CD2-CB 4.22Å |
| 1298 | V | 89.3 | Confident | 82.9 | Confident | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.024 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 141.2 | 160.4 | -54.2 | 0 | 0 | 0 | 0 | 107.8 | L1188 V1252 K1253 T1254 I1288 A1289 I1300 | L1188-V1298 HydrophobicContact CD2-CG2 4.08Å; V1252-V1298 HydrophobicContact CG1-CB 3.91Å; V1252-V1298 HydrophobicContact CG1-CG2 3.89Å; K1253-V1298 CarbonylContact O-C 3.5Å; K1253-V1298 VanDerWaalsContact O-CA 3.3Å; K1253-V1298 WeakPolarHBondContact O-CA 3.34Å; K1253-V1298 WeakPolarHBondContact O-CB 3.27Å; T1254-V1298 HydrophobicContact CG2-CB 4.34Å; T1254-V1298 HydrophobicContact CG2-CG1 3.81Å; I1288-V1298 VanDerWaalsContact CA-O 3.22Å; I1288-V1298 WeakPolarHBondContact CA-O 3.4Å; A1289-V1298 HydrophobicContact CB-CG2 3.79Å; A1289-V1298 PolarHBondContact N-O 3.38Å; A1289-V1298 PolarHBondContact O-N 2.92Å; V1298-I1300 HydrophobicContact CG2-CD1 4.1Å |
| 1299 | I | 91.2 | Very high | 83.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 125.4 | 179.7 | -70.8 | 163.3 | 0 | 0 | 0 | 108.2 | V1252 K1253 F1267 A1271 F1285 I1288 M1301 | V1252-I1299 CarbonylContact C-O 3.55Å; V1252-I1299 WeakPolarHBondContact CA-O 3.47Å; K1253-I1299 HydrophobicContact CB-CB 4.22Å; K1253-I1299 PolarHBondContact N-O 2.82Å; K1253-I1299 PolarHBondContact O-N 2.96Å; F1267-I1299 HydrophobicContact CD1-CD1 3.74Å; F1267-I1299 HydrophobicContact CD1-CG1 4.1Å; F1267-I1299 HydrophobicContact CD2-CD1 4.28Å; F1267-I1299 HydrophobicContact CE1-CB 4.33Å; F1267-I1299 HydrophobicContact CE1-CD1 3.55Å; F1267-I1299 HydrophobicContact CE1-CG1 3.56Å; F1267-I1299 HydrophobicContact CE2-CD1 4.12Å; F1267-I1299 HydrophobicContact CG-CD1 4.12Å; F1267-I1299 HydrophobicContact CZ-CB 4.31Å; F1267-I1299 HydrophobicContact CZ-CD1 3.76Å; F1267-I1299 HydrophobicContact CZ-CG1 3.95Å; A1271-I1299 HydrophobicContact CB-CD1 3.81Å; A1271-I1299 HydrophobicContact CB-CG1 3.91Å; F1285-I1299 HydrophobicContact CD2-CG2 3.87Å; F1285-I1299 HydrophobicContact CE2-CG1 4.46Å; F1285-I1299 HydrophobicContact CE2-CG2 3.88Å; I1288-I1299 HydrophobicContact CG1-CG1 4.07Å; I1299-M1301 HydrophobicContact CG2-CG 3.8Å; I1299-M1301 HydrophobicContact CG2-SD 4.21Å |
| 1300 | I | 92.1 | Very high | 83.2 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 128 | 178.5 | -56.7 | 83.3 | 0 | 0 | 0 | 108.5 | I1183 L1188 V1209 V1250 L1286 G1287 A1289 V1298 | I1183-I1300 HydrophobicContact CD1-CB 4.01Å; I1183-I1300 HydrophobicContact CD1-CD1 4.11Å; I1183-I1300 HydrophobicContact CD1-CG1 4.03Å; I1183-I1300 HydrophobicContact CD1-CG2 4.17Å; L1188-I1300 HydrophobicContact CD1-CG1 4.17Å; L1188-I1300 HydrophobicContact CD2-CD1 4.01Å; L1188-I1300 HydrophobicContact CD2-CG1 3.86Å; V1209-I1300 HydrophobicContact CG2-CG2 4.08Å; V1250-I1300 HydrophobicContact CB-CG2 3.66Å; V1250-I1300 HydrophobicContact CG1-CG2 3.79Å; V1250-I1300 HydrophobicContact CG2-CG2 3.81Å; L1286-I1300 HydrophobicContact CB-CB 4.42Å; L1286-I1300 HydrophobicContact CB-CG2 4.07Å; L1286-I1300 HydrophobicContact CD1-CG2 4.3Å; L1286-I1300 PolarHBondContact N-O 3.41Å; G1287-I1300 PolarHBondContact N-O 2.75Å; G1287-I1300 WeakPolarHBondContact O-CD1 3.45Å; G1287-I1300 PolarHBondContact O-N 2.89Å; A1289-I1300 HydrophobicContact CB-CD1 3.96Å; A1289-I1300 VanDerWaalsContact N-CD1 3.28Å; V1298-I1300 HydrophobicContact CG2-CD1 4.1Å |
| 1301 | M | 91.6 | Very high | 83.4 | Confident | 16 Ų | 16 | 44.4 Ų | 44.4 | 8% | 0.079 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 164.6 | -176.7 | -55 | 170.8 | -63.3 | 0 | 0 | 110.1 | V1204 V1250 A1251 K1253 M1274 V1283 Q1284 I1299 | V1204-M1301 HydrophobicContact CG1-CE 4.44Å; V1250-M1301 WeakPolarHBondContact CA-O 3.46Å; V1250-M1301 WeakPolarHBondContact CB-O 3.21Å; A1251-M1301 HydrophobicContact CB-CB 4.44Å; A1251-M1301 HydrophobicContact CB-CE 4.08Å; A1251-M1301 PolarHBondContact N-O 3.32Å; A1251-M1301 PolarHBondContact O-N 3.29Å; K1253-M1301 HydrophobicContact CB-CE 3.91Å; M1274-M1301 HydrophobicContact CE-CG 4.02Å; M1274-M1301 HydrophobicContact CE-SD 3.79Å; M1274-M1301 HydrophobicContact SD-SD 4.27Å; V1283-M1301 HydrophobicContact CG1-CB 3.97Å; V1283-M1301 HydrophobicContact CG1-CG 4.47Å; V1283-M1301 HydrophobicContact CG1-SD 4.34Å; Q1284-M1301 VanDerWaalsContact O-CA 3.28Å; Q1284-M1301 WeakPolarHBondContact O-CA 3.41Å; I1299-M1301 HydrophobicContact CG2-CG 3.8Å; I1299-M1301 HydrophobicContact CG2-SD 4.21Å |
| 1302 | E | 90.4 | Very high | 84.2 | Confident | 29 Ų | 29 | 40.1 Ų | 40.1 | 14% | 0.136 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 147.4 | 169.7 | 69.2 | -178.5 | 122.6 | 0 | 0 | 112.4 | V1283 Q1284 M1304 K1370 | V1283-E1302 WeakPolarHBondContact CA-OE1 3.25Å; V1283-E1302 HydrophobicContact CG1-CG 4.06Å; Q1284-E1302 HydrophobicContact CB-CB 4.46Å; Q1284-E1302 HydrophobicContact CB-CG 4.3Å; Q1284-E1302 WeakPolarHBondContact CB-OE1 3.45Å; Q1284-E1302 PolarHBondContact N-OE1 3.13Å; Q1284-E1302 PolarHBondContact O-N 3.23Å; Q1284-E1302 VanDerWaalsContact O-N 3.16Å; E1302-M1304 HydrophobicContact CG-CG 4.41Å; E1302-M1304 HydrophobicContact CG-SD 4.03Å; E1302-K1370 WeakPolarHBondContact OE1-CD 3.34Å; E1302-K1370 WeakPolarHBondContact OE1-CE 3.44Å; E1302-K1370 IonicContact OE1-NZ 3.92Å; E1302-K1370 PolarHBondContact OE1-NZ 3.31Å; E1302-K1370 WeakPolarHBondContact OE2-CE 3.29Å; E1302-K1370 IonicContact OE2-NZ 3.72Å; E1302-K1370 PolarHBondContact OE2-NZ 3.09Å |
| 1303 | Y | 90.5 | Very high | 85.3 | Confident | 51 Ų | 51 | 32.4 Ų | 32.4 | 20% | 0.2 | 19% | 0.193 | C | C | . | . | trans | -83.4 | 117.5 | 178.2 | 178.5 | -117.9 | 0 | 0 | 0 | 112.1 | L1196 K1206 E1249 A1305 | L1196-Y1303 HydrophobicContact CD1-CD2 3.73Å; L1196-Y1303 HydrophobicContact CD1-CE2 3.56Å; L1196-Y1303 HydrophobicContact CD2-CE2 3.76Å; L1196-Y1303 HydrophobicContact CG-CE2 4.32Å; K1206-Y1303 HydrophobicContact CD-CE2 4.43Å; K1206-Y1303 HydrophobicContact CG-CD2 4.47Å; K1206-Y1303 HydrophobicContact CG-CE2 4.28Å; E1249-Y1303 HydrophobicContact CB-CD1 4.12Å; E1249-Y1303 HydrophobicContact CB-CG 4.31Å; E1249-Y1303 WeakPolarHBondContact O-CB 3.36Å; Y1303-A1305 HydrophobicContact CD1-CB 4.31Å; Y1303-A1305 HydrophobicContact CE1-CB 3.82Å; Y1303-A1305 PolarHBondContact O-N 2.58Å | ||
| 1304 | M | 91.5 | Very high | 86.7 | Confident | 9 Ų | 9 | 32.1 Ų | 32.1 | 4% | 0.044 | 18% | 0.175 | C | C | . | . | trans | -98.1 | 92.1 | -179.1 | -62.5 | -64.4 | -71.2 | 0 | 0 | 110.2 | V1283 E1302 F1306 G1307 L1362 V1363 N1364 K1370 | V1283-M1304 HydrophobicContact CG2-CG 4.16Å; V1283-M1304 HydrophobicContact CG2-SD 4.48Å; E1302-M1304 HydrophobicContact CG-CG 4.41Å; E1302-M1304 HydrophobicContact CG-SD 4.03Å; M1304-F1306 VanDerWaalsContact C-N 3.26Å; M1304-F1306 PolarHBondContact O-N 3.39Å; M1304-G1307 PolarHBondContact O-N 2.87Å; M1304-L1362 HydrophobicContact CB-CB 3.64Å; M1304-L1362 HydrophobicContact CB-CD1 4.03Å; M1304-L1362 HydrophobicContact CB-CG 4.48Å; M1304-L1362 HydrophobicContact CE-CB 3.83Å; M1304-L1362 WeakPolarHBondContact CE-O 3.47Å; M1304-L1362 HydrophobicContact CG-CB 3.67Å; M1304-L1362 HydrophobicContact CG-CD1 3.92Å; M1304-L1362 HydrophobicContact CG-CG 4.46Å; M1304-V1363 CarbonylContact C-O 3.46Å; M1304-N1364 HydrophobicContact CE-CB 3.8Å; M1304-N1364 HydrophobicContact SD-CB 3.86Å; M1304-K1370 HydrophobicContact CE-CB 3.78Å; M1304-K1370 HydrophobicContact CE-CD 3.99Å; M1304-K1370 HydrophobicContact CE-CG 3.7Å; M1304-K1370 HydrophobicContact SD-CD 4.02Å; M1304-K1370 HydrophobicContact SD-CG 4.4Å | ||
| 1305 | A | 86.3 | Confident | 87.8 | Confident | 35 Ų | 35 | 35 Ų | 35 | 29% | 0.289 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -17.6 | -160.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | Y1303 V1363 | Y1303-A1305 HydrophobicContact CD1-CB 4.31Å; Y1303-A1305 HydrophobicContact CE1-CB 3.82Å; Y1303-A1305 PolarHBondContact O-N 2.58Å; A1305-V1363 PolarHBondContact N-O 2.76Å |
| 1306 | F | 89.5 | Confident | 88.4 | Confident | 89 Ų | 89 | 36.7 Ų | 36.7 | 39% | 0.39 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 14.1 | 177.5 | -64.4 | -50.9 | 0 | 0 | 0 | 113.3 | M1304 Y1312 V1363 N1364 L1367 | M1304-F1306 VanDerWaalsContact C-N 3.26Å; M1304-F1306 PolarHBondContact O-N 3.39Å; F1306-Y1312 HydrophobicContact CB-CD2 3.88Å; F1306-Y1312 HydrophobicContact CB-CE2 4.36Å; F1306-Y1312 HydrophobicContact CD2-CE2 4.31Å; F1306-Y1312 HydrophobicContact CG-CD2 4.24Å; F1306-Y1312 HydrophobicContact CG-CE2 4.23Å; F1306-V1363 HydrophobicContact CB-CB 3.98Å; F1306-V1363 HydrophobicContact CB-CG1 4.15Å; F1306-V1363 HydrophobicContact CD2-CG1 4.12Å; F1306-V1363 PolarHBondContact N-O 2.78Å; F1306-N1364 WeakPolarHBondContact CD2-O 3.42Å; F1306-L1367 HydrophobicContact CD2-CD2 3.82Å; F1306-L1367 HydrophobicContact CE2-CD2 3.68Å |
| 1307 | G | 90 | Very high | 87.9 | Confident | 31 Ų | 31 | 39 Ų | 39 | 32% | 0.32 | 19% | 0.194 | S | C | . | . | trans | 71.1 | -145 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1304 L1362 V1363 | M1304-G1307 PolarHBondContact O-N 2.87Å; G1307-L1362 CarbonylContact O-C 3.56Å; G1307-L1362 VanDerWaalsContact O-CA 3.28Å; G1307-L1362 WeakPolarHBondContact O-CA 3.39Å; G1307-V1363 PolarHBondContact O-N 2.92Å | ||
| 1308 | D | 92.5 | Very high | 86.5 | Confident | 34 Ų | 34 | 40.7 Ų | 40.7 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -85.8 | 151.5 | 177.1 | 74.2 | 95.8 | 0 | 0 | 0 | 113.1 | A1310 T1311 Y1312 R1359 C1361 L1362 | D1308-A1310 VanDerWaalsContact C-N 3.28Å; D1308-A1310 PolarHBondContact O-N 2.86Å; D1308-A1310 WeakPolarHBondContact OD1-CA 3.24Å; D1308-A1310 VanDerWaalsContact OD1-CB 3.28Å; D1308-A1310 WeakPolarHBondContact OD1-CB 3.34Å; D1308-A1310 PolarHBondContact OD1-N 3.13Å; D1308-A1310 VanDerWaalsContact OD1-N 3.09Å; D1308-T1311 VanDerWaalsContact CG-OG1 3.31Å; D1308-T1311 PolarHBondContact O-N 3.38Å; D1308-T1311 PolarHBondContact OD1-N 2.71Å; D1308-T1311 PolarHBondContact OD1-OG1 3.28Å; D1308-T1311 WeakPolarHBondContact OD2-CB 3.43Å; D1308-T1311 PolarHBondContact OD2-OG1 2.95Å; D1308-Y1312 PolarHBondContact O-N 3.3Å; D1308-R1359 VanDerWaalsContact CB-O 3.31Å; D1308-R1359 WeakPolarHBondContact CB-O 3.31Å; D1308-R1359 WeakPolarHBondContact OD1-CA 3.15Å; D1308-C1361 CarbonylContact C-O 3.52Å; D1308-C1361 WeakPolarHBondContact CA-O 3.4Å; D1308-L1362 HydrophobicContact CB-CD2 3.74Å |
| 1309 | L | 94.5 | Very high | 84.6 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.9 | -31.5 | -177.1 | 178.8 | 65.4 | 0 | 0 | 0 | 111.3 | Y1312 L1313 W1335 L1339 A1358 C1361 V1363 V1369 I1425 | L1309-Y1312 HydrophobicContact CD1-CD1 4.46Å; L1309-Y1312 PolarHBondContact O-N 2.87Å; L1309-L1313 HydrophobicContact CD1-CD1 4.22Å; L1309-L1313 HydrophobicContact CD1-CG 4.01Å; L1309-L1313 HydrophobicContact CG-CD1 3.83Å; L1309-L1313 HydrophobicContact CG-CG 4.13Å; L1309-L1313 WeakPolarHBondContact O-CB 3.37Å; L1309-L1313 WeakPolarHBondContact O-CD1 3.29Å; L1309-L1313 WeakPolarHBondContact O-CG 3.35Å; L1309-L1313 PolarHBondContact O-N 2.96Å; L1309-W1335 HydrophobicContact CD1-CD2 4.14Å; L1309-W1335 HydrophobicContact CD1-CE3 4.01Å; L1309-W1335 HydrophobicContact CD1-CH2 4.04Å; L1309-W1335 HydrophobicContact CD1-CZ2 4.15Å; L1309-W1335 HydrophobicContact CD1-CZ3 3.97Å; L1309-L1339 HydrophobicContact CD2-CD1 4.39Å; L1309-A1358 WeakPolarHBondContact CB-O 3.4Å; L1309-A1358 HydrophobicContact CD2-CB 4.48Å; L1309-A1358 HydrophobicContact CG-CB 4.49Å; L1309-A1358 PolarHBondContact N-O 2.99Å; L1309-C1361 HydrophobicContact CB-CB 3.99Å; L1309-C1361 VanDerWaalsContact CB-O 3.29Å; L1309-C1361 WeakPolarHBondContact CB-O 3.45Å; L1309-C1361 HydrophobicContact CD2-CB 4.12Å; L1309-C1361 PolarHBondContact N-O 2.6Å; L1309-V1363 HydrophobicContact CB-CG2 3.85Å; L1309-V1363 HydrophobicContact CD1-CG2 3.84Å; L1309-V1363 HydrophobicContact CG-CG2 4.47Å; L1309-V1369 HydrophobicContact CD1-CG1 3.92Å; L1309-V1369 HydrophobicContact CD2-CG1 3.94Å; L1309-V1369 HydrophobicContact CG-CG1 4.34Å; L1309-I1425 HydrophobicContact CD2-CD1 4.16Å; L1309-I1425 HydrophobicContact CD2-CG1 4.07Å |
| 1310 | A | 92.1 | Very high | 82.4 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.1 | -38.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1308 R1314 A1358 R1359 A1429 | D1308-A1310 VanDerWaalsContact C-N 3.28Å; D1308-A1310 PolarHBondContact O-N 2.86Å; D1308-A1310 WeakPolarHBondContact OD1-CA 3.24Å; D1308-A1310 VanDerWaalsContact OD1-CB 3.28Å; D1308-A1310 WeakPolarHBondContact OD1-CB 3.34Å; D1308-A1310 PolarHBondContact OD1-N 3.13Å; D1308-A1310 VanDerWaalsContact OD1-N 3.09Å; A1310-R1314 VanDerWaalsContact O-CG 3.3Å; A1310-R1314 WeakPolarHBondContact O-CG 3.48Å; A1310-R1314 PolarHBondContact O-N 2.85Å; A1310-R1314 PolarHBondContact O-NH1 3.49Å; A1310-A1358 HydrophobicContact CB-CB 3.86Å; A1310-A1358 PolarHBondContact N-O 3.07Å; A1310-R1359 HydrophobicContact CB-CB 4.19Å; A1310-A1429 VanDerWaalsContact CA-CB 3.49Å; A1310-A1429 HydrophobicContact CB-CB 3.59Å |
| 1311 | T | 89.7 | Confident | 80.2 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -68.8 | -45.3 | 171.8 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | D1308 L1313 R1314 Q1315 | D1308-T1311 VanDerWaalsContact CG-OG1 3.31Å; D1308-T1311 PolarHBondContact O-N 3.38Å; D1308-T1311 PolarHBondContact OD1-N 2.71Å; D1308-T1311 PolarHBondContact OD1-OG1 3.28Å; D1308-T1311 WeakPolarHBondContact OD2-CB 3.43Å; D1308-T1311 PolarHBondContact OD2-OG1 2.95Å; T1311-L1313 PolarHBondContact O-N 3.23Å; T1311-R1314 PolarHBondContact O-N 3.2Å; T1311-Q1315 WeakPolarHBondContact O-CG 3.44Å; T1311-Q1315 PolarHBondContact O-N 2.91Å |
| 1312 | Y | 90.8 | Very high | 77.8 | Confident | 22 Ų | 22 | 66.3 Ų | 66.3 | 9% | 0.086 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59 | -46.9 | 176.4 | -176.8 | -96.6 | 0 | 0 | 0 | 112.1 | F1306 D1308 L1309 R1314 Q1315 Q1316 W1335 V1363 L1367 | F1306-Y1312 HydrophobicContact CB-CD2 3.88Å; F1306-Y1312 HydrophobicContact CB-CE2 4.36Å; F1306-Y1312 HydrophobicContact CD2-CE2 4.31Å; F1306-Y1312 HydrophobicContact CG-CD2 4.24Å; F1306-Y1312 HydrophobicContact CG-CE2 4.23Å; D1308-Y1312 PolarHBondContact O-N 3.3Å; L1309-Y1312 HydrophobicContact CD1-CD1 4.46Å; L1309-Y1312 PolarHBondContact O-N 2.87Å; Y1312-R1314 PolarHBondContact O-N 2.9Å; Y1312-Q1315 WeakPolarHBondContact O-CB 3.44Å; Y1312-Q1315 PolarHBondContact O-N 2.71Å; Y1312-Q1315 VanDerWaalsContact O-N 3.12Å; Y1312-Q1316 HydrophobicContact CD1-CG 4.2Å; Y1312-Q1316 HydrophobicContact CE1-CG 3.75Å; Y1312-Q1316 WeakPolarHBondContact O-CG 3.44Å; Y1312-Q1316 PolarHBondContact O-N 2.63Å; Y1312-Q1316 VanDerWaalsContact O-N 3.13Å; Y1312-W1335 AromaticContact CD1-CH2 3.98Å; Y1312-W1335 HydrophobicContact CD1-CH2 3.98Å; Y1312-W1335 HydrophobicContact CD1-CZ2 4.17Å; Y1312-W1335 AromaticContact CE1-CH2 3.74Å; Y1312-W1335 HydrophobicContact CE1-CH2 3.74Å; Y1312-W1335 AromaticContact CE1-CZ2 3.84Å; Y1312-W1335 HydrophobicContact CE1-CZ2 3.84Å; Y1312-V1363 HydrophobicContact CG-CG2 4.32Å; Y1312-L1367 HydrophobicContact CE1-CD2 4.39Å; Y1312-L1367 HydrophobicContact CE2-CD2 4.05Å; Y1312-L1367 VanDerWaalsContact OH-CD2 3.31Å; Y1312-L1367 WeakPolarHBondContact OH-CD2 3.46Å |
| 1313 | L | 88.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -56 | -50 | 176.3 | -77.2 | 166 | 0 | 0 | 0 | 111.4 | L1309 T1311 Q1315 Q1316 M1317 I1327 W1335 A1358 I1425 F1428 A1429 | L1309-L1313 HydrophobicContact CD1-CD1 4.22Å; L1309-L1313 HydrophobicContact CD1-CG 4.01Å; L1309-L1313 HydrophobicContact CG-CD1 3.83Å; L1309-L1313 HydrophobicContact CG-CG 4.13Å; L1309-L1313 WeakPolarHBondContact O-CB 3.37Å; L1309-L1313 WeakPolarHBondContact O-CD1 3.29Å; L1309-L1313 WeakPolarHBondContact O-CG 3.35Å; L1309-L1313 PolarHBondContact O-N 2.96Å; T1311-L1313 PolarHBondContact O-N 3.23Å; L1313-Q1315 PolarHBondContact O-N 2.81Å; L1313-Q1316 PolarHBondContact O-N 2.94Å; L1313-M1317 PolarHBondContact O-N 2.72Å; L1313-I1327 HydrophobicContact CD2-CD1 3.36Å; L1313-I1327 HydrophobicContact CD2-CG1 4.21Å; L1313-W1335 HydrophobicContact CD2-CH2 4.49Å; L1313-W1335 HydrophobicContact CD2-CZ3 3.89Å; L1313-A1358 HydrophobicContact CD1-CB 4.46Å; L1313-I1425 HydrophobicContact CD1-CG1 4.16Å; L1313-F1428 WeakPolarHBondContact O-CD1 3.18Å; L1313-A1429 HydrophobicContact CB-CB 4.08Å; L1313-A1429 HydrophobicContact CD1-CB 3.98Å |
| 1314 | R | 84.4 | Confident | 73.3 | Confident | 122 Ų | 122 | 75.9 Ų | 75.9 | 46% | 0.46 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.1 | -30 | 178 | -68.6 | 173.9 | -159 | 119.4 | 2.7 | 113 | A1310 T1311 Y1312 Q1316 M1317 F1428 A1429 | A1310-R1314 VanDerWaalsContact O-CG 3.3Å; A1310-R1314 WeakPolarHBondContact O-CG 3.48Å; A1310-R1314 PolarHBondContact O-N 2.85Å; A1310-R1314 PolarHBondContact O-NH1 3.49Å; T1311-R1314 PolarHBondContact O-N 3.2Å; Y1312-R1314 PolarHBondContact O-N 2.9Å; R1314-Q1316 VanDerWaalsContact C-N 3.34Å; R1314-M1317 WeakPolarHBondContact O-CB 3.38Å; R1314-M1317 PolarHBondContact O-N 2.82Å; R1314-F1428 WeakPolarHBondContact CG-O 3.35Å; R1314-A1429 HydrophobicContact CG-CB 4.41Å; R1314-A1429 VanDerWaalsContact CZ-O 3.28Å; R1314-A1429 PolarHBondContact NE-O 3.22Å; R1314-A1429 PolarHBondContact NH2-O 2.92Å |
| 1315 | Q | 82.4 | Confident | 71.2 | Confident | 128 Ų | 128 | 76.1 Ų | 76.1 | 60% | 0.598 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -73.2 | -22.6 | 173.8 | -69.9 | 171.9 | 2.5 | 0 | 0 | 113.5 | T1311 Y1312 L1313 M1317 | T1311-Q1315 WeakPolarHBondContact O-CG 3.44Å; T1311-Q1315 PolarHBondContact O-N 2.91Å; Y1312-Q1315 WeakPolarHBondContact O-CB 3.44Å; Y1312-Q1315 PolarHBondContact O-N 2.71Å; Y1312-Q1315 VanDerWaalsContact O-N 3.12Å; L1313-Q1315 PolarHBondContact O-N 2.81Å; Q1315-M1317 VanDerWaalsContact C-N 3.35Å |
| 1316 | Q | 76.8 | Confident | 69.8 | Low | 95 Ų | 95 | 76.6 Ų | 76.6 | 44% | 0.444 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -5.3 | 173 | -59 | -52.6 | -58.1 | 0 | 0 | 113.4 | Y1312 L1313 R1314 S1318 F1428 | Y1312-Q1316 HydrophobicContact CD1-CG 4.2Å; Y1312-Q1316 HydrophobicContact CE1-CG 3.75Å; Y1312-Q1316 WeakPolarHBondContact O-CG 3.44Å; Y1312-Q1316 PolarHBondContact O-N 2.63Å; Y1312-Q1316 VanDerWaalsContact O-N 3.13Å; L1313-Q1316 PolarHBondContact O-N 2.94Å; R1314-Q1316 VanDerWaalsContact C-N 3.34Å; Q1316-S1318 PolarHBondContact O-N 3Å; Q1316-F1428 HydrophobicContact CB-CD1 4.45Å; Q1316-F1428 HydrophobicContact CB-CE1 4.16Å |
| 1317 | M | 68.7 | Low | 68.7 | Low | 99 Ų | 99 | 73.1 Ų | 73.1 | 49% | 0.488 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -77.1 | 121.1 | 178.1 | -160.1 | 174.9 | 80.1 | 0 | 0 | 110 | L1313 R1314 Q1315 F1428 | L1313-M1317 PolarHBondContact O-N 2.72Å; R1314-M1317 WeakPolarHBondContact O-CB 3.38Å; R1314-M1317 PolarHBondContact O-N 2.82Å; Q1315-M1317 VanDerWaalsContact C-N 3.35Å; M1317-F1428 HydrophobicContact CB-CB 4.17Å; M1317-F1428 HydrophobicContact CB-CD1 4.28Å; M1317-F1428 HydrophobicContact CB-CG 4.18Å; M1317-F1428 HydrophobicContact CG-CB 4.15Å; M1317-F1428 HydrophobicContact CG-CD2 4.29Å; M1317-F1428 HydrophobicContact CG-CG 4.14Å; M1317-F1428 HydrophobicContact SD-CB 3.96Å |
| 1318 | S | 55.2 | Low | 68.1 | Low | 38 Ų | 38 | 76 Ų | 76 | 27% | 0.266 | 39% | 0.394 | S | S | . | . | trans | -60.7 | 149 | 173.8 | 49.1 | 0 | 0 | 0 | 0 | 111 | Q1316 D1320 | Q1316-S1318 PolarHBondContact O-N 3Å; S1318-D1320 PolarHBondContact O-N 2.94Å; S1318-D1320 PolarHBondContact OG-O 2.72Å; S1318-D1320 VanDerWaalsContact OG-O 3.05Å | ||
| 1319 | K | 48.1 | Very low | 67.4 | Low | 209 Ų | 209 | 76.7 Ų | 76.7 | 91% | 0.909 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -66.1 | -15.5 | 174.5 | -80.6 | -171.8 | 174.5 | -178.1 | 0 | 113.7 | ||
| 1320 | D | 45.8 | Very low | 66.9 | Low | 119 Ų | 119 | 80.2 Ų | 80.2 | 64% | 0.636 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -92.3 | 125.9 | 174.4 | -44.4 | -70.4 | 0 | 0 | 0 | 109.5 | S1318 C1322 | S1318-D1320 PolarHBondContact O-N 2.94Å; S1318-D1320 PolarHBondContact OG-O 2.72Å; S1318-D1320 VanDerWaalsContact OG-O 3.05Å; D1320-C1322 VanDerWaalsContact C-N 3.3Å; D1320-C1322 PolarHBondContact O-N 3.46Å |
| 1321 | D | 44.8 | Very low | 66.7 | Low | 157 Ų | 157 | 81.9 Ų | 81.9 | 84% | 0.84 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -68.9 | 75.9 | -175.6 | -68.1 | -56.5 | 0 | 0 | 0 | 112.6 | ||
| 1322 | C | 41 | Very low | 66.7 | Low | 72 Ų | 72 | 79.3 Ų | 79.3 | 49% | 0.486 | 41% | 0.409 | S | S | . | . | S | Bend | trans | 61.4 | 122 | -172.8 | -82.8 | 0 | 0 | 0 | 0 | 114.4 | D1320 | D1320-C1322 VanDerWaalsContact C-N 3.3Å; D1320-C1322 PolarHBondContact O-N 3.46Å |
| 1323 | P | 40.9 | Very low | 66.6 | Low | 113 Ų | 113 | 78.4 Ų | 78.4 | 73% | 0.734 | 41% | 0.406 | S | S | * | . | S | Bend | -145.7 | 9.2 | 73 | 39 | -22.1 | 0 | 0 | 0 | 116.3 | |||
| 1324 | Q | 45.4 | Very low | 66.8 | Low | 169 Ų | 169 | 81.1 Ų | 81.1 | 79% | 0.79 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -110.5 | -15.7 | -176.3 | -65.6 | -167.1 | 7.7 | 0 | 0 | 115.3 | S1326 | Q1324-S1326 PolarHBondContact O-N 3Š|
| 1325 | G | 49.2 | Very low | 67.3 | Low | 14 Ų | 14 | 75.4 Ų | 75.4 | 14% | 0.144 | 40% | 0.398 | C | S | . | . | trans | -64.6 | 92.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F1428 | G1325-F1428 WeakPolarHBondContact O-CE2 3.23Å; G1325-F1428 VanDerWaalsContact O-CZ 3.3Å; G1325-F1428 WeakPolarHBondContact O-CZ 3.35Å | ||
| 1326 | S | 55.8 | Low | 67.9 | Low | 44 Ų | 44 | 69.3 Ų | 69.3 | 31% | 0.308 | 37% | 0.37 | S | S | . | . | trans | -126.4 | 117.5 | 169 | 62.8 | 0 | 0 | 0 | 0 | 110.3 | Q1324 D1328 K1459 | Q1324-S1326 PolarHBondContact O-N 3Å; S1326-D1328 PolarHBondContact O-N 3.4Å; S1326-K1459 PolarHBondContact OG-NZ 2.92Å; S1326-K1459 VanDerWaalsContact OG-NZ 3.16Å | ||
| 1327 | I | 67.3 | Low | 68.8 | Low | 16 Ų | 16 | 66 Ų | 66 | 8% | 0.082 | 36% | 0.355 | C | S | . | . | trans | -55.1 | 136.4 | 160.3 | -56.5 | 157.6 | 0 | 0 | 0 | 106.8 | L1313 T1329 L1331 A1332 W1335 I1425 F1428 | L1313-I1327 HydrophobicContact CD2-CD1 3.36Å; L1313-I1327 HydrophobicContact CD2-CG1 4.21Å; I1327-T1329 PolarHBondContact O-N 2.04Å; I1327-L1331 HydrophobicContact CG2-CD2 4.44Å; I1327-A1332 HydrophobicContact CG2-CB 4.09Å; I1327-W1335 HydrophobicContact CD1-CZ3 4.38Å; I1327-W1335 HydrophobicContact CG2-CE3 4.36Å; I1327-W1335 HydrophobicContact CG2-CH2 4.13Å; I1327-W1335 HydrophobicContact CG2-CZ3 3.65Å; I1327-I1425 HydrophobicContact CD1-CG2 4.04Å; I1327-I1425 WeakPolarHBondContact CD1-O 3.22Å; I1327-F1428 HydrophobicContact CD1-CD1 4.25Å; I1327-F1428 HydrophobicContact CD1-CE1 3.97Å; I1327-F1428 HydrophobicContact CD1-CZ 4.38Å; I1327-F1428 HydrophobicContact CG1-CD1 4.28Å; I1327-F1428 HydrophobicContact CG1-CE1 3.57Å; I1327-F1428 HydrophobicContact CG1-CZ 3.98Å | ||
| 1328 | D | 76.9 | Confident | 70.1 | Confident | 91 Ų | 91 | 62.5 Ų | 62.5 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | trans | -55.2 | 132.1 | 174.2 | 165.1 | 49.5 | 0 | 0 | 0 | 110.4 | S1326 Q1330 L1331 A1332 | S1326-D1328 PolarHBondContact O-N 3.4Å; D1328-Q1330 PolarHBondContact O-N 2.79Å; D1328-Q1330 PolarHBondContact OD1-N 3.38Å; D1328-Q1330 WeakPolarHBondContact OD2-CB 3.3Å; D1328-Q1330 PolarHBondContact OD2-N 3.17Å; D1328-L1331 HydrophobicContact CB-CB 3.85Å; D1328-L1331 PolarHBondContact O-N 3.19Å; D1328-L1331 VanDerWaalsContact O-N 3.14Å; D1328-L1331 WeakPolarHBondContact OD2-CB 3.45Å; D1328-L1331 PolarHBondContact OD2-N 2.9Å; D1328-A1332 PolarHBondContact O-N 3.08Å | ||
| 1329 | T | 78.2 | Confident | 72.1 | Confident | 49 Ų | 49 | 60.7 Ų | 60.7 | 30% | 0.301 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.7 | -39.9 | -177.5 | -55.8 | 0 | 0 | 0 | 0 | 111 | I1327 I1333 K1459 P1461 | I1327-T1329 PolarHBondContact O-N 2.04Å; T1329-I1333 WeakPolarHBondContact O-CG1 3.23Å; T1329-I1333 PolarHBondContact O-N 3.41Å; T1329-I1333 VanDerWaalsContact O-N 3.13Å; T1329-K1459 WeakPolarHBondContact CB-O 3.29Å; T1329-K1459 WeakPolarHBondContact CG2-O 3.25Å; T1329-K1459 PolarHBondContact OG1-O 3.2Å; T1329-P1461 HydrophobicContact CG2-CB 4.1Å; T1329-P1461 HydrophobicContact CG2-CG 3.71Å |
| 1330 | Q | 84 | Confident | 74.4 | Confident | 75 Ų | 75 | 50.8 Ų | 50.8 | 35% | 0.35 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -75.3 | -38.6 | 178.2 | -171.6 | 58 | 46.2 | 0 | 0 | 112 | D1328 A1332 I1333 N1334 | D1328-Q1330 PolarHBondContact O-N 2.79Å; D1328-Q1330 PolarHBondContact OD1-N 3.38Å; D1328-Q1330 WeakPolarHBondContact OD2-CB 3.3Å; D1328-Q1330 PolarHBondContact OD2-N 3.17Å; Q1330-A1332 VanDerWaalsContact C-N 3.34Å; Q1330-A1332 PolarHBondContact O-N 2.82Å; Q1330-I1333 PolarHBondContact O-N 3.15Å; Q1330-N1334 PolarHBondContact NE2-OD1 2.87Å; Q1330-N1334 WeakPolarHBondContact O-CB 3.24Å; Q1330-N1334 PolarHBondContact O-N 3.04Å; Q1330-N1334 PolarHBondContact O-ND2 3.17Å; Q1330-N1334 PolarHBondContact O-OD1 2.79Å |
| 1331 | L | 88.1 | Confident | 76.8 | Confident | 34 Ų | 34 | 46.8 Ų | 46.8 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 173 | -175.8 | 59.8 | 0 | 0 | 0 | 112 | I1327 D1328 N1334 W1335 L1367 | I1327-L1331 HydrophobicContact CG2-CD2 4.44Å; D1328-L1331 HydrophobicContact CB-CB 3.85Å; D1328-L1331 PolarHBondContact O-N 3.19Å; D1328-L1331 VanDerWaalsContact O-N 3.14Å; D1328-L1331 WeakPolarHBondContact OD2-CB 3.45Å; D1328-L1331 PolarHBondContact OD2-N 2.9Å; L1331-N1334 WeakPolarHBondContact O-CB 3.35Å; L1331-N1334 PolarHBondContact O-N 2.86Å; L1331-W1335 HydrophobicContact CD1-CD2 4.41Å; L1331-W1335 HydrophobicContact CD1-CZ2 3.93Å; L1331-W1335 HydrophobicContact CD2-CH2 3.88Å; L1331-W1335 HydrophobicContact CD2-CZ2 3.63Å; L1331-W1335 HydrophobicContact CG-CD2 4.18Å; L1331-W1335 HydrophobicContact CG-CH2 4.07Å; L1331-W1335 HydrophobicContact CG-CZ2 3.66Å; L1331-W1335 HydrophobicContact CG-CZ3 4.49Å; L1331-W1335 PolarHBondContact O-N 2.79Å; L1331-L1367 HydrophobicContact CD1-CB 4.17Å; L1331-L1367 HydrophobicContact CD1-CD1 4.5Å; L1331-L1367 HydrophobicContact CD2-CD1 4.19Å |
| 1332 | A | 88.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.1 | -41 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1327 D1328 Q1330 N1334 A1336 I1425 L1460 L1464 | I1327-A1332 HydrophobicContact CG2-CB 4.09Å; D1328-A1332 PolarHBondContact O-N 3.08Å; Q1330-A1332 VanDerWaalsContact C-N 3.34Å; Q1330-A1332 PolarHBondContact O-N 2.82Å; A1332-N1334 VanDerWaalsContact C-N 3.34Å; A1332-A1336 WeakPolarHBondContact O-CB 3.37Å; A1332-A1336 PolarHBondContact O-N 3.41Å; A1332-I1425 HydrophobicContact CB-CG2 4.17Å; A1332-L1460 HydrophobicContact CB-CD2 3.47Å; A1332-L1460 VanDerWaalsContact CB-CD2 3.47Å; A1332-L1464 HydrophobicContact CB-CD1 4.19Å |
| 1333 | I | 89.4 | Confident | 81.9 | Confident | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.015 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.7 | -44.6 | 169.8 | -69.3 | 161 | 0 | 0 | 0 | 110.6 | T1329 Q1330 W1335 A1336 I1337 P1461 F1492 T1493 | T1329-I1333 WeakPolarHBondContact O-CG1 3.23Å; T1329-I1333 PolarHBondContact O-N 3.41Å; T1329-I1333 VanDerWaalsContact O-N 3.13Å; Q1330-I1333 PolarHBondContact O-N 3.15Å; I1333-W1335 PolarHBondContact O-N 2.93Å; I1333-A1336 WeakPolarHBondContact O-CB 3.31Å; I1333-A1336 PolarHBondContact O-N 3.02Å; I1333-I1337 HydrophobicContact CG2-CD1 3.63Å; I1333-I1337 HydrophobicContact CG2-CG1 4.22Å; I1333-I1337 WeakPolarHBondContact O-CG1 3.44Å; I1333-I1337 PolarHBondContact O-N 3.02Å; I1333-P1461 HydrophobicContact CD1-CG 3.55Å; I1333-P1461 HydrophobicContact CG1-CG 3.62Å; I1333-F1492 HydrophobicContact CD1-CD1 3.96Å; I1333-F1492 HydrophobicContact CD1-CE1 3.79Å; I1333-T1493 HydrophobicContact CG2-CG2 3.7Å |
| 1334 | N | 92 | Very high | 84.5 | Confident | 57 Ų | 57 | 31.4 Ų | 31.4 | 31% | 0.305 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.1 | -46.8 | -178.8 | -70.3 | -17.8 | 0 | 0 | 0 | 110.6 | Q1330 L1331 A1332 A1336 I1337 Q1338 | Q1330-N1334 PolarHBondContact NE2-OD1 2.87Å; Q1330-N1334 WeakPolarHBondContact O-CB 3.24Å; Q1330-N1334 PolarHBondContact O-N 3.04Å; Q1330-N1334 PolarHBondContact O-ND2 3.17Å; Q1330-N1334 PolarHBondContact O-OD1 2.79Å; L1331-N1334 WeakPolarHBondContact O-CB 3.35Å; L1331-N1334 PolarHBondContact O-N 2.86Å; A1332-N1334 VanDerWaalsContact C-N 3.34Å; N1334-A1336 PolarHBondContact O-N 3.46Å; N1334-I1337 PolarHBondContact O-N 2.94Å; N1334-Q1338 WeakPolarHBondContact O-CB 3.33Å; N1334-Q1338 WeakPolarHBondContact O-CG 3.33Å; N1334-Q1338 PolarHBondContact O-N 3.46Å |
| 1335 | W | 94.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 25.9 Ų | 25.9 | 0% | 0.004 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 174 | -66.3 | -20.9 | 0 | 0 | 0 | 112.4 | L1309 Y1312 L1313 I1327 L1331 I1333 I1337 Q1338 L1339 L1367 V1369 I1425 | L1309-W1335 HydrophobicContact CD1-CD2 4.14Å; L1309-W1335 HydrophobicContact CD1-CE3 4.01Å; L1309-W1335 HydrophobicContact CD1-CH2 4.04Å; L1309-W1335 HydrophobicContact CD1-CZ2 4.15Å; L1309-W1335 HydrophobicContact CD1-CZ3 3.97Å; Y1312-W1335 AromaticContact CD1-CH2 3.98Å; Y1312-W1335 HydrophobicContact CD1-CH2 3.98Å; Y1312-W1335 HydrophobicContact CD1-CZ2 4.17Å; Y1312-W1335 AromaticContact CE1-CH2 3.74Å; Y1312-W1335 HydrophobicContact CE1-CH2 3.74Å; Y1312-W1335 AromaticContact CE1-CZ2 3.84Å; Y1312-W1335 HydrophobicContact CE1-CZ2 3.84Å; L1313-W1335 HydrophobicContact CD2-CH2 4.49Å; L1313-W1335 HydrophobicContact CD2-CZ3 3.89Å; I1327-W1335 HydrophobicContact CD1-CZ3 4.38Å; I1327-W1335 HydrophobicContact CG2-CE3 4.36Å; I1327-W1335 HydrophobicContact CG2-CH2 4.13Å; I1327-W1335 HydrophobicContact CG2-CZ3 3.65Å; L1331-W1335 HydrophobicContact CD1-CD2 4.41Å; L1331-W1335 HydrophobicContact CD1-CZ2 3.93Å; L1331-W1335 HydrophobicContact CD2-CH2 3.88Å; L1331-W1335 HydrophobicContact CD2-CZ2 3.63Å; L1331-W1335 HydrophobicContact CG-CD2 4.18Å; L1331-W1335 HydrophobicContact CG-CH2 4.07Å; L1331-W1335 HydrophobicContact CG-CZ2 3.66Å; L1331-W1335 HydrophobicContact CG-CZ3 4.49Å; L1331-W1335 PolarHBondContact O-N 2.79Å; I1333-W1335 PolarHBondContact O-N 2.93Å; W1335-I1337 VanDerWaalsContact C-N 3.31Å; W1335-I1337 PolarHBondContact O-N 3.44Å; W1335-Q1338 PolarHBondContact O-N 2.8Å; W1335-L1339 WeakPolarHBondContact O-CB 3.47Å; W1335-L1339 WeakPolarHBondContact O-CG 3.4Å; W1335-L1339 PolarHBondContact O-N 2.78Å; W1335-L1367 PolarHBondContact NE1-O 2.98Å; W1335-V1369 HydrophobicContact CB-CG1 4.45Å; W1335-V1369 HydrophobicContact CB-CG2 3.88Å; W1335-V1369 HydrophobicContact CD2-CG1 4.29Å; W1335-V1369 HydrophobicContact CG-CG1 3.86Å; W1335-V1369 HydrophobicContact CG-CG2 3.99Å; W1335-I1425 HydrophobicContact CB-CD1 4.21Å; W1335-I1425 HydrophobicContact CE3-CD1 4.46Å; W1335-I1425 HydrophobicContact CE3-CG1 4.43Å; W1335-I1425 HydrophobicContact CE3-CG2 4.21Å |
| 1336 | A | 94.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.7 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1332 I1333 N1334 A1340 Y1418 L1422 L1464 L1489 | A1332-A1336 WeakPolarHBondContact O-CB 3.37Å; A1332-A1336 PolarHBondContact O-N 3.41Å; I1333-A1336 WeakPolarHBondContact O-CB 3.31Å; I1333-A1336 PolarHBondContact O-N 3.02Å; N1334-A1336 PolarHBondContact O-N 3.46Å; A1336-A1340 WeakPolarHBondContact O-CB 3.07Å; A1336-A1340 PolarHBondContact O-N 3.2Å; A1336-Y1418 PolarHBondContact O-OH 3.08Å; A1336-L1422 HydrophobicContact CB-CD2 3.59Å; A1336-L1464 HydrophobicContact CB-CD2 3.66Å; A1336-L1489 HydrophobicContact CB-CD1 4.12Å; A1336-L1489 HydrophobicContact CB-CD2 4.22Å |
| 1337 | I | 95.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 24 Ų | 24 | 14% | 0.138 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -67.4 | -45 | 176.3 | -71.5 | 171.6 | 0 | 0 | 0 | 111.5 | I1333 N1334 W1335 A1340 T1341 L1489 T1493 | I1333-I1337 HydrophobicContact CG2-CD1 3.63Å; I1333-I1337 HydrophobicContact CG2-CG1 4.22Å; I1333-I1337 WeakPolarHBondContact O-CG1 3.44Å; I1333-I1337 PolarHBondContact O-N 3.02Å; N1334-I1337 PolarHBondContact O-N 2.94Å; W1335-I1337 VanDerWaalsContact C-N 3.31Å; W1335-I1337 PolarHBondContact O-N 3.44Å; I1337-A1340 PolarHBondContact O-N 3.16Å; I1337-T1341 VanDerWaalsContact O-CB 3.28Å; I1337-T1341 WeakPolarHBondContact O-CB 3.31Å; I1337-T1341 PolarHBondContact O-N 2.63Å; I1337-T1341 PolarHBondContact O-OG1 2.92Å; I1337-L1489 HydrophobicContact CD1-CB 4.21Å; I1337-L1489 HydrophobicContact CG1-CB 3.66Å; I1337-L1489 HydrophobicContact CG1-CD1 3.91Å; I1337-L1489 HydrophobicContact CG1-CG 4.27Å; I1337-T1493 HydrophobicContact CD1-CG2 3.78Å |
| 1338 | Q | 96 | Very high | 91.8 | Very high | 25 Ų | 25 | 29 Ų | 29 | 12% | 0.117 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.1 | -49.9 | -178.2 | -70.8 | 168.4 | 10.8 | 0 | 0 | 110.5 | Y1281 N1334 W1335 T1341 G1342 V1369 | Y1281-Q1338 WeakPolarHBondContact CB-O 3.38Å; Y1281-Q1338 HydrophobicContact CD1-CB 3.7Å; Y1281-Q1338 HydrophobicContact CD1-CG 3.7Å; Y1281-Q1338 HydrophobicContact CD2-CB 4.49Å; Y1281-Q1338 HydrophobicContact CE1-CB 4.09Å; Y1281-Q1338 HydrophobicContact CE1-CG 3.54Å; Y1281-Q1338 HydrophobicContact CG-CB 3.93Å; Y1281-Q1338 HydrophobicContact CG-CG 4.3Å; N1334-Q1338 WeakPolarHBondContact O-CB 3.33Å; N1334-Q1338 WeakPolarHBondContact O-CG 3.33Å; N1334-Q1338 PolarHBondContact O-N 3.46Å; W1335-Q1338 PolarHBondContact O-N 2.8Å; Q1338-T1341 PolarHBondContact O-N 3.22Å; Q1338-G1342 PolarHBondContact O-N 3.11Å; Q1338-V1369 HydrophobicContact CB-CG2 3.71Å |
| 1339 | L | 97 | Very high | 92.3 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65 | -42.4 | 175.9 | -62.9 | -179.6 | 0 | 0 | 0 | 112.3 | L1309 W1335 T1341 G1342 M1343 C1361 V1369 I1371 Y1418 V1421 | L1309-L1339 HydrophobicContact CD2-CD1 4.39Å; W1335-L1339 WeakPolarHBondContact O-CB 3.47Å; W1335-L1339 WeakPolarHBondContact O-CG 3.4Å; W1335-L1339 PolarHBondContact O-N 2.78Å; L1339-T1341 PolarHBondContact O-N 2.97Å; L1339-G1342 PolarHBondContact O-N 2.79Å; L1339-M1343 VanDerWaalsContact O-CB 3.3Å; L1339-M1343 WeakPolarHBondContact O-CB 3.48Å; L1339-M1343 VanDerWaalsContact O-CG 3.31Å; L1339-M1343 WeakPolarHBondContact O-CG 3.46Å; L1339-M1343 PolarHBondContact O-N 3.12Å; L1339-C1361 HydrophobicContact CD1-CB 4.43Å; L1339-C1361 HydrophobicContact CD2-CB 3.97Å; L1339-C1361 WeakPolarHBondContact CD2-SG 3.06Å; L1339-V1369 HydrophobicContact CD1-CG2 4.38Å; L1339-V1369 HydrophobicContact CD2-CB 4.04Å; L1339-V1369 HydrophobicContact CD2-CG2 3.73Å; L1339-V1369 HydrophobicContact CG-CB 4.42Å; L1339-V1369 HydrophobicContact CG-CG2 3.67Å; L1339-I1371 HydrophobicContact CD2-CG1 3.77Å; L1339-Y1418 HydrophobicContact CB-CD2 4.36Å; L1339-Y1418 HydrophobicContact CB-CE2 4.03Å; L1339-V1421 HydrophobicContact CD1-CG1 3.67Å |
| 1340 | A | 97 | Very high | 92.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.5 | -31.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1336 I1337 N1344 Y1418 I1485 L1486 L1489 | A1336-A1340 WeakPolarHBondContact O-CB 3.07Å; A1336-A1340 PolarHBondContact O-N 3.2Å; I1337-A1340 PolarHBondContact O-N 3.16Å; A1340-N1344 WeakPolarHBondContact O-CB 3.06Å; A1340-N1344 PolarHBondContact O-N 3.07Å; A1340-Y1418 HydrophobicContact CB-CE2 3.94Å; A1340-I1485 HydrophobicContact CB-CG2 3.92Å; A1340-L1486 HydrophobicContact CB-CD2 3.66Å; A1340-L1486 HydrophobicContact CB-CG 3.95Å; A1340-L1489 HydrophobicContact CB-CD1 4.23Å |
| 1341 | T | 96.7 | Very high | 92.7 | Very high | 35 Ų | 35 | 27.7 Ų | 27.7 | 22% | 0.215 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -72.7 | -46.1 | 178.3 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | Y1281 I1337 Q1338 L1339 N1344 Y1345 L1486 | Y1281-T1341 HydrophobicContact CD2-CG2 3.68Å; Y1281-T1341 HydrophobicContact CE2-CG2 3.85Å; I1337-T1341 VanDerWaalsContact O-CB 3.28Å; I1337-T1341 WeakPolarHBondContact O-CB 3.31Å; I1337-T1341 PolarHBondContact O-N 2.63Å; I1337-T1341 PolarHBondContact O-OG1 2.92Å; Q1338-T1341 PolarHBondContact O-N 3.22Å; L1339-T1341 PolarHBondContact O-N 2.97Å; T1341-N1344 PolarHBondContact O-N 3.39Å; T1341-Y1345 PolarHBondContact O-N 3.26Å; T1341-L1486 VanDerWaalsContact OG1-CD2 3.27Å; T1341-L1486 WeakPolarHBondContact OG1-CD2 3.2Å |
| 1342 | G | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1338 L1339 Y1345 L1346 | Q1338-G1342 PolarHBondContact O-N 3.11Å; L1339-G1342 PolarHBondContact O-N 2.79Å; G1342-Y1345 PolarHBondContact O-N 3.22Å; G1342-L1346 WeakPolarHBondContact O-CG 3.33Å; G1342-L1346 PolarHBondContact O-N 2.86Å |
| 1343 | M | 96.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71.4 | -31 | 175.2 | -71.8 | -55.5 | -49.6 | 0 | 0 | 113.7 | L1339 L1346 A1347 H1353 L1356 I1371 D1414 F1482 | L1339-M1343 VanDerWaalsContact O-CB 3.3Å; L1339-M1343 WeakPolarHBondContact O-CB 3.48Å; L1339-M1343 VanDerWaalsContact O-CG 3.31Å; L1339-M1343 WeakPolarHBondContact O-CG 3.46Å; L1339-M1343 PolarHBondContact O-N 3.12Å; M1343-L1346 HydrophobicContact CE-CD1 4.27Å; M1343-L1346 PolarHBondContact O-N 3.12Å; M1343-L1346 HydrophobicContact SD-CD1 3.75Å; M1343-A1347 WeakPolarHBondContact O-CB 3.14Å; M1343-A1347 PolarHBondContact O-N 3.12Å; M1343-H1353 HydrophobicContact CE-CB 4.01Å; M1343-H1353 HydrophobicContact SD-CB 4.26Å; M1343-L1356 HydrophobicContact CE-CD2 4.27Å; M1343-L1356 HydrophobicContact CG-CD1 4.3Å; M1343-L1356 HydrophobicContact CG-CD2 3.69Å; M1343-L1356 HydrophobicContact SD-CD1 3.97Å; M1343-L1356 HydrophobicContact SD-CD2 3.79Å; M1343-L1356 HydrophobicContact SD-CG 4.33Å; M1343-I1371 HydrophobicContact CB-CD1 4.49Å; M1343-I1371 HydrophobicContact CG-CD1 3.7Å; M1343-I1371 HydrophobicContact SD-CD1 3.81Å; M1343-I1371 HydrophobicContact SD-CG2 4.49Å; M1343-D1414 HydrophobicContact CE-CB 3.65Å; M1343-F1482 HydrophobicContact CB-CD1 3.58Å; M1343-F1482 HydrophobicContact CB-CD2 3.87Å; M1343-F1482 HydrophobicContact CB-CE1 3.43Å; M1343-F1482 VanDerWaalsContact CB-CE1 3.43Å; M1343-F1482 HydrophobicContact CB-CE2 3.73Å; M1343-F1482 HydrophobicContact CB-CG 3.8Å; M1343-F1482 HydrophobicContact CB-CZ 3.51Å; M1343-F1482 HydrophobicContact CE-CE2 3.82Å; M1343-F1482 HydrophobicContact CE-CZ 3.89Å; M1343-F1482 HydrophobicContact CG-CE1 3.93Å; M1343-F1482 HydrophobicContact CG-CE2 4.43Å; M1343-F1482 HydrophobicContact CG-CZ 3.88Å |
| 1344 | N | 96.2 | Very high | 92.9 | Very high | 19 Ų | 19 | 26.3 Ų | 26.3 | 10% | 0.102 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.5 | -45.7 | 171.5 | -172.9 | 78.2 | 0 | 0 | 0 | 111 | A1340 T1341 L1346 A1347 E1348 F1482 S1483 L1486 | A1340-N1344 WeakPolarHBondContact O-CB 3.06Å; A1340-N1344 PolarHBondContact O-N 3.07Å; T1341-N1344 PolarHBondContact O-N 3.39Å; N1344-L1346 VanDerWaalsContact C-N 3.31Å; N1344-L1346 PolarHBondContact O-N 2.96Å; N1344-A1347 CarbonylContact O-C 3.53Å; N1344-A1347 PolarHBondContact O-N 2.98Å; N1344-A1347 VanDerWaalsContact O-N 3.08Å; N1344-E1348 PolarHBondContact ND2-OE1 2.93Å; N1344-E1348 PolarHBondContact ND2-OE2 2.91Å; N1344-E1348 WeakPolarHBondContact O-CB 3.31Å; N1344-E1348 WeakPolarHBondContact O-CG 3.36Å; N1344-E1348 PolarHBondContact O-N 2.86Å; N1344-F1482 HydrophobicContact CB-CB 3.74Å; N1344-S1483 WeakPolarHBondContact OD1-CA 3.32Å; N1344-S1483 WeakPolarHBondContact OD1-CB 3.35Å; N1344-S1483 PolarHBondContact OD1-N 2.86Å; N1344-L1486 HydrophobicContact CB-CD1 3.51Å |
| 1345 | Y | 94.8 | Very high | 92.9 | Very high | 53 Ų | 53 | 24.1 Ų | 24.1 | 21% | 0.208 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.4 | -43.1 | 174.2 | 176.4 | -93.9 | 0 | 0 | 0 | 111.9 | L1277 N1278 C1279 I1282 T1341 G1342 E1348 L1349 | L1277-Y1345 HydrophobicContact CB-CE1 4.39Å; L1277-Y1345 HydrophobicContact CD2-CE1 3.95Å; N1278-Y1345 PolarHBondContact N-OH 3.36Å; N1278-Y1345 WeakPolarHBondContact O-CE2 3.1Å; N1278-Y1345 PolarHBondContact O-OH 2.9Å; C1279-Y1345 HydrophobicContact CB-CD1 3.62Å; C1279-Y1345 HydrophobicContact CB-CD2 4.19Å; C1279-Y1345 HydrophobicContact CB-CE1 3.85Å; C1279-Y1345 HydrophobicContact CB-CE2 4.41Å; C1279-Y1345 HydrophobicContact CB-CG 3.79Å; I1282-Y1345 HydrophobicContact CD1-CD1 3.62Å; I1282-Y1345 HydrophobicContact CD1-CE1 4.09Å; T1341-Y1345 PolarHBondContact O-N 3.26Å; G1342-Y1345 PolarHBondContact O-N 3.22Å; Y1345-E1348 PolarHBondContact O-N 2.86Å; Y1345-L1349 HydrophobicContact CD1-CD1 4.04Å; Y1345-L1349 HydrophobicContact CE1-CD1 3.43Å; Y1345-L1349 VanDerWaalsContact CE1-CD1 3.43Å; Y1345-L1349 HydrophobicContact CE1-CG 4.34Å; Y1345-L1349 HydrophobicContact CE2-CD1 4.45Å; Y1345-L1349 WeakPolarHBondContact O-CG 3.12Å; Y1345-L1349 PolarHBondContact O-N 2.89Å |
| 1346 | L | 92.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 172.9 | -70.3 | 167.3 | 0 | 0 | 0 | 112.3 | L1277 I1282 G1342 M1343 N1344 L1349 H1350 I1351 I1371 F1374 | L1277-L1346 HydrophobicContact CD1-CD2 4.06Å; L1277-L1346 HydrophobicContact CD2-CD2 3.64Å; I1282-L1346 HydrophobicContact CD1-CD1 4.18Å; I1282-L1346 HydrophobicContact CD1-CD2 3.95Å; I1282-L1346 HydrophobicContact CD1-CG 3.81Å; G1342-L1346 WeakPolarHBondContact O-CG 3.33Å; G1342-L1346 PolarHBondContact O-N 2.86Å; M1343-L1346 HydrophobicContact CE-CD1 4.27Å; M1343-L1346 PolarHBondContact O-N 3.12Å; M1343-L1346 HydrophobicContact SD-CD1 3.75Å; N1344-L1346 VanDerWaalsContact C-N 3.31Å; N1344-L1346 PolarHBondContact O-N 2.96Å; L1346-L1349 CarbonylContact O-C 3.48Å; L1346-L1349 PolarHBondContact O-N 2.85Å; L1346-H1350 PolarHBondContact O-N 2.76Å; L1346-I1351 CarbonylContact C-O 3.54Å; L1346-I1351 HydrophobicContact CB-CB 4.42Å; L1346-I1351 HydrophobicContact CD2-CB 4.02Å; L1346-I1351 HydrophobicContact CD2-CD1 4.18Å; L1346-I1351 HydrophobicContact CD2-CG2 3.9Å; L1346-I1351 PolarHBondContact O-N 2.95Å; L1346-I1371 HydrophobicContact CD1-CG2 4.43Å; L1346-F1374 HydrophobicContact CD1-CE1 3.82Å; L1346-F1374 HydrophobicContact CD1-CZ 4.25Å; L1346-F1374 HydrophobicContact CD2-CE1 3.79Å; L1346-F1374 HydrophobicContact CD2-CZ 4.5Å; L1346-F1374 HydrophobicContact CG-CE1 4.47Å |
| 1347 | A | 92 | Very high | 93 | Very high | 19 Ų | 19 | 24.1 Ų | 24.1 | 16% | 0.157 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.5 | -36.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1343 N1344 H1350 T1411 F1482 | M1343-A1347 WeakPolarHBondContact O-CB 3.14Å; M1343-A1347 PolarHBondContact O-N 3.12Å; N1344-A1347 CarbonylContact O-C 3.53Å; N1344-A1347 PolarHBondContact O-N 2.98Å; N1344-A1347 VanDerWaalsContact O-N 3.08Å; A1347-H1350 WeakPolarHBondContact O-CA 3.3Å; A1347-H1350 PolarHBondContact O-N 2.95Å; A1347-H1350 PolarHBondContact O-ND1 3.08Å; A1347-T1411 HydrophobicContact CB-CG2 3.74Å; A1347-F1482 HydrophobicContact CB-CD2 4.27Å |
| 1348 | E | 90.9 | Very high | 93 | Very high | 120 Ų | 120 | 22.8 Ų | 22.8 | 56% | 0.561 | 11% | 0.113 | S | C | * | . | H | α-helix | trans | -65.3 | -40.8 | 172.8 | -75 | 169.5 | 169.1 | 0 | 0 | 111.5 | N1344 Y1345 H1350 | N1344-E1348 PolarHBondContact ND2-OE1 2.93Å; N1344-E1348 PolarHBondContact ND2-OE2 2.91Å; N1344-E1348 WeakPolarHBondContact O-CB 3.31Å; N1344-E1348 WeakPolarHBondContact O-CG 3.36Å; N1344-E1348 PolarHBondContact O-N 2.86Å; Y1345-E1348 PolarHBondContact O-N 2.86Å; E1348-H1350 PolarHBondContact O-N 3.01Å; E1348-H1350 PolarHBondContact O-ND1 2.86Å |
| 1349 | L | 87.7 | Confident | 92.9 | Very high | 70 Ų | 70 | 25.6 Ų | 25.6 | 37% | 0.366 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -1.3 | 168.9 | -66.1 | -177.1 | 0 | 0 | 0 | 113.9 | L1277 Y1345 L1346 I1351 L1379 | L1277-L1349 HydrophobicContact CD2-CD1 3.78Å; Y1345-L1349 HydrophobicContact CD1-CD1 4.04Å; Y1345-L1349 HydrophobicContact CE1-CD1 3.43Å; Y1345-L1349 VanDerWaalsContact CE1-CD1 3.43Å; Y1345-L1349 HydrophobicContact CE1-CG 4.34Å; Y1345-L1349 HydrophobicContact CE2-CD1 4.45Å; Y1345-L1349 WeakPolarHBondContact O-CG 3.12Å; Y1345-L1349 PolarHBondContact O-N 2.89Å; L1346-L1349 CarbonylContact O-C 3.48Å; L1346-L1349 PolarHBondContact O-N 2.85Å; L1349-I1351 HydrophobicContact CB-CD1 3.9Å; L1349-I1351 HydrophobicContact CB-CG1 4.06Å; L1349-I1351 HydrophobicContact CD1-CD1 4.08Å; L1349-I1351 PolarHBondContact O-N 3.05Å; L1349-L1379 WeakPolarHBondContact O-CD1 2.8Å |
| 1350 | H | 85.9 | Confident | 92.7 | Very high | 109 Ų | 109 | 26.2 Ų | 26.2 | 51% | 0.505 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 34.5 | -175.2 | -54.8 | -16.8 | 0 | 0 | 0 | 113.7 | L1346 A1347 E1348 V1380 | L1346-H1350 PolarHBondContact O-N 2.76Å; A1347-H1350 WeakPolarHBondContact O-CA 3.3Å; A1347-H1350 PolarHBondContact O-N 2.95Å; A1347-H1350 PolarHBondContact O-ND1 3.08Å; E1348-H1350 PolarHBondContact O-N 3.01Å; E1348-H1350 PolarHBondContact O-ND1 2.86Å; H1350-V1380 PolarHBondContact O-N 3.31Å |
| 1351 | I | 85.5 | Confident | 92.6 | Very high | 8 Ų | 8 | 26.2 Ų | 26.2 | 4% | 0.041 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 126.6 | 171.3 | -60.7 | 170.4 | 0 | 0 | 0 | 107.9 | L1277 L1346 L1349 A1377 L1379 | L1277-I1351 HydrophobicContact CD2-CD1 3.73Å; L1346-I1351 CarbonylContact C-O 3.54Å; L1346-I1351 HydrophobicContact CB-CB 4.42Å; L1346-I1351 HydrophobicContact CD2-CB 4.02Å; L1346-I1351 HydrophobicContact CD2-CD1 4.18Å; L1346-I1351 HydrophobicContact CD2-CG2 3.9Å; L1346-I1351 PolarHBondContact O-N 2.95Å; L1349-I1351 HydrophobicContact CB-CD1 3.9Å; L1349-I1351 HydrophobicContact CB-CG1 4.06Å; L1349-I1351 HydrophobicContact CD1-CD1 4.08Å; L1349-I1351 PolarHBondContact O-N 3.05Å; I1351-A1377 HydrophobicContact CG2-CB 4.15Å; I1351-L1379 HydrophobicContact CG1-CB 4.43Å; I1351-L1379 HydrophobicContact CG1-CD1 3.82Å |
| 1352 | I | 89.7 | Confident | 92.5 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.015 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 125.9 | 168.8 | -50 | 171.4 | 0 | 0 | 0 | 106.9 | R1354 A1377 R1378 V1380 F1409 T1411 D1414 | I1352-R1354 HydrophobicContact CB-CG 3.93Å; I1352-R1354 HydrophobicContact CG2-CG 3.49Å; I1352-R1354 VanDerWaalsContact CG2-CG 3.49Å; I1352-A1377 CarbonylContact O-C 3.51Å; I1352-A1377 WeakPolarHBondContact O-CA 3.24Å; I1352-R1378 PolarHBondContact N-O 2.68Å; I1352-R1378 PolarHBondContact O-N 2.92Å; I1352-V1380 HydrophobicContact CD1-CG2 3.59Å; I1352-V1380 HydrophobicContact CG1-CG2 3.73Å; I1352-F1409 HydrophobicContact CD1-CB 4.34Å; I1352-F1409 WeakPolarHBondContact CD1-O 3.46Å; I1352-F1409 HydrophobicContact CG2-CB 4.21Å; I1352-T1411 HydrophobicContact CG1-CG2 4.43Å; I1352-D1414 WeakPolarHBondContact CA-OD2 3.43Å; I1352-D1414 VanDerWaalsContact CG2-CG 3.44Å; I1352-D1414 VanDerWaalsContact CG2-OD1 3.31Å; I1352-D1414 WeakPolarHBondContact CG2-OD1 3.33Å; I1352-D1414 WeakPolarHBondContact CG2-OD2 3.21Å |
| 1353 | H | 90.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -71 | -40 | 179.1 | -174 | -15.1 | 0 | 0 | 0 | 111.8 | M1343 D1355 I1371 A1372 L1376 A1377 D1414 | M1343-H1353 HydrophobicContact CE-CB 4.01Å; M1343-H1353 HydrophobicContact SD-CB 4.26Å; H1353-D1355 PolarHBondContact CE1-O 2.78Å; H1353-D1355 PolarHBondContact O-N 2.85Å; H1353-I1371 WeakPolarHBondContact CD2-CG2 3.49Å; H1353-I1371 WeakPolarHBondContact NE2-CG2 3.45Å; H1353-A1372 PolarHBondContact CE1-O 2.77Å; H1353-A1372 PolarHBondContact NE2-O 2.87Å; H1353-L1376 CarbonylContact O-C 3.48Å; H1353-A1377 WeakPolarHBondContact O-CA 3.46Å; H1353-A1377 PolarHBondContact O-N 2.86Å; H1353-D1414 PolarHBondContact N-OD2 2.75Å | ||
| 1354 | R | 90.5 | Very high | 92.1 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 2% | 0.023 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 65 | -1 | 175.5 | -53.1 | 179.4 | 47.2 | -114.5 | -13.3 | 116.2 | I1352 L1376 F1409 D1414 | I1352-R1354 HydrophobicContact CB-CG 3.93Å; I1352-R1354 HydrophobicContact CG2-CG 3.49Å; I1352-R1354 VanDerWaalsContact CG2-CG 3.49Å; R1354-L1376 HydrophobicContact CB-CB 4.45Å; R1354-L1376 WeakPolarHBondContact CD-O 3.3Å; R1354-L1376 PolarHBondContact NH1-O 2.8Å; R1354-F1409 HydrophobicContact CB-CD1 3.53Å; R1354-F1409 HydrophobicContact CB-CE1 3.79Å; R1354-F1409 HydrophobicContact CB-CG 4.36Å; R1354-F1409 HydrophobicContact CG-CB 3.93Å; R1354-F1409 HydrophobicContact CG-CD1 3.47Å; R1354-F1409 VanDerWaalsContact CG-CD1 3.47Å; R1354-F1409 HydrophobicContact CG-CE1 4.19Å; R1354-F1409 HydrophobicContact CG-CG 3.83Å; R1354-F1409 VanDerWaalsContact NE-CD1 3.32Å; R1354-F1409 VanDerWaalsContact NE-CG 3.27Å; R1354-D1414 WeakPolarHBondContact CA-OD1 3.35Å; R1354-D1414 PolarHBondContact N-OD1 2.88Å |
| 1355 | D | 91.5 | Very high | 91.7 | Very high | 11 Ų | 11 | 29 Ų | 29 | 6% | 0.059 | 14% | 0.144 | C | C | . | . | trans | -151.9 | 51.1 | 173.7 | -165.3 | 12.5 | 0 | 0 | 0 | 112 | H1353 A1357 R1359 N1360 L1376 P1395 | H1353-D1355 PolarHBondContact CE1-O 2.78Å; H1353-D1355 PolarHBondContact O-N 2.85Å; D1355-A1357 PolarHBondContact O-N 3.44Å; D1355-R1359 IonicContact OD1-CZ 1.75Å; D1355-R1359 IonicContact OD1-NH1 3.82Å; D1355-R1359 IonicContact OD1-NH2 3.97Å; D1355-R1359 PolarHBondContact OD1-NH2 2.04Å; D1355-R1359 IonicContact OD2-CZ 2.79Å; D1355-R1359 IonicContact OD2-NH2 2.71Å; D1355-R1359 PolarHBondContact OD2-NH2 2.85Å; D1355-N1360 VanDerWaalsContact CG-ND2 3.26Å; D1355-N1360 PolarHBondContact O-ND2 3.48Å; D1355-N1360 PolarHBondContact OD2-ND2 2.85Å; D1355-L1376 HydrophobicContact CB-CB 4.34Å; D1355-L1376 HydrophobicContact CB-CD1 3.89Å; D1355-P1395 HydrophobicContact CB-CG 4.08Å; D1355-P1395 WeakPolarHBondContact OD1-CB 3.4Å; D1355-P1395 WeakPolarHBondContact OD1-CG 3.21Å | ||
| 1356 | L | 95.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -76.6 | 116.1 | 171.6 | 179.3 | 66.1 | 0 | 0 | 0 | 109.3 | M1343 S1417 Y1418 V1421 | M1343-L1356 HydrophobicContact CE-CD2 4.27Å; M1343-L1356 HydrophobicContact CG-CD1 4.3Å; M1343-L1356 HydrophobicContact CG-CD2 3.69Å; M1343-L1356 HydrophobicContact SD-CD1 3.97Å; M1343-L1356 HydrophobicContact SD-CD2 3.79Å; M1343-L1356 HydrophobicContact SD-CG 4.33Å; L1356-S1417 WeakPolarHBondContact O-CB 3.38Å; L1356-Y1418 HydrophobicContact CD2-CD2 4.42Å; L1356-V1421 HydrophobicContact CG-CG2 4.05Å | ||
| 1357 | A | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -152.3 | 155.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | D1355 R1359 N1360 C1361 W1398 V1421 | D1355-A1357 PolarHBondContact O-N 3.44Å; A1357-R1359 HydrophobicContact CB-CG 3.91Å; A1357-R1359 PolarHBondContact O-N 2.82Å; A1357-R1359 VanDerWaalsContact O-N 3.11Å; A1357-N1360 CarbonylContact O-C 3.51Å; A1357-N1360 WeakPolarHBondContact O-CA 3.46Å; A1357-N1360 PolarHBondContact O-N 1.75Å; A1357-C1361 PolarHBondContact O-N 2.98Å; A1357-C1361 PolarHBondContact O-SG 2.93Å; A1357-W1398 HydrophobicContact CB-CD2 4.06Å; A1357-W1398 HydrophobicContact CB-CG 3.99Å; A1357-W1398 HydrophobicContact CB-CZ2 4.4Å; A1357-V1421 VanDerWaalsContact CA-CG2 3.44Å | ||
| 1358 | A | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -59.9 | -27.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1309 A1310 L1313 N1360 C1361 V1421 E1424 | L1309-A1358 WeakPolarHBondContact CB-O 3.4Å; L1309-A1358 HydrophobicContact CD2-CB 4.48Å; L1309-A1358 HydrophobicContact CG-CB 4.49Å; L1309-A1358 PolarHBondContact N-O 2.99Å; A1310-A1358 HydrophobicContact CB-CB 3.86Å; A1310-A1358 PolarHBondContact N-O 3.07Å; L1313-A1358 HydrophobicContact CD1-CB 4.46Å; A1358-N1360 VanDerWaalsContact C-N 3.26Å; A1358-N1360 PolarHBondContact O-N 3.18Å; A1358-C1361 PolarHBondContact O-N 3.47Å; A1358-C1361 VanDerWaalsContact O-O 3.13Å; A1358-V1421 HydrophobicContact CB-CG1 4.36Å; A1358-E1424 HydrophobicContact CB-CB 3.82Å; A1358-E1424 HydrophobicContact CB-CG 4.29Å; A1358-E1424 WeakPolarHBondContact CB-OE2 2.25Å; A1358-E1424 PolarHBondContact N-OE2 3.01Å |
| 1359 | R | 93.1 | Very high | 91.5 | Very high | 83 Ų | 83 | 29.4 Ų | 29.4 | 31% | 0.313 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -68.1 | -18.6 | 172 | 69 | 173.8 | -162.7 | -75.1 | -8.8 | 115 | D1308 A1310 D1355 A1357 | D1308-R1359 VanDerWaalsContact CB-O 3.31Å; D1308-R1359 WeakPolarHBondContact CB-O 3.31Å; D1308-R1359 WeakPolarHBondContact OD1-CA 3.15Å; A1310-R1359 HydrophobicContact CB-CB 4.19Å; D1355-R1359 IonicContact OD1-CZ 1.75Å; D1355-R1359 IonicContact OD1-NH1 3.82Å; D1355-R1359 IonicContact OD1-NH2 3.97Å; D1355-R1359 PolarHBondContact OD1-NH2 2.04Å; D1355-R1359 IonicContact OD2-CZ 2.79Å; D1355-R1359 IonicContact OD2-NH2 2.71Å; D1355-R1359 PolarHBondContact OD2-NH2 2.85Å; A1357-R1359 HydrophobicContact CB-CG 3.91Å; A1357-R1359 PolarHBondContact O-N 2.82Å; A1357-R1359 VanDerWaalsContact O-N 3.11Å |
| 1360 | N | 93.5 | Very high | 91.9 | Very high | 14 Ų | 14 | 27.1 Ų | 27.1 | 8% | 0.075 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -106.5 | 6 | 178.1 | -69.2 | -1.1 | 0 | 0 | 0 | 111.4 | D1355 A1357 A1358 A1372 | D1355-N1360 VanDerWaalsContact CG-ND2 3.26Å; D1355-N1360 PolarHBondContact O-ND2 3.48Å; D1355-N1360 PolarHBondContact OD2-ND2 2.85Å; A1357-N1360 CarbonylContact O-C 3.51Å; A1357-N1360 WeakPolarHBondContact O-CA 3.46Å; A1357-N1360 PolarHBondContact O-N 1.75Å; A1358-N1360 VanDerWaalsContact C-N 3.26Å; A1358-N1360 PolarHBondContact O-N 3.18Å; N1360-A1372 WeakPolarHBondContact O-CA 3.39Å; N1360-A1372 WeakPolarHBondContact O-CB 3.29Å; N1360-A1372 PolarHBondContact O-N 3.1Å |
| 1361 | C | 95.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 117 | 167.2 | -60.6 | 0 | 0 | 0 | 0 | 107.3 | D1308 L1309 L1339 A1357 A1358 K1370 | D1308-C1361 CarbonylContact C-O 3.52Å; D1308-C1361 WeakPolarHBondContact CA-O 3.4Å; L1309-C1361 HydrophobicContact CB-CB 3.99Å; L1309-C1361 VanDerWaalsContact CB-O 3.29Å; L1309-C1361 WeakPolarHBondContact CB-O 3.45Å; L1309-C1361 HydrophobicContact CD2-CB 4.12Å; L1309-C1361 PolarHBondContact N-O 2.6Å; L1339-C1361 HydrophobicContact CD1-CB 4.43Å; L1339-C1361 HydrophobicContact CD2-CB 3.97Å; L1339-C1361 WeakPolarHBondContact CD2-SG 3.06Å; A1357-C1361 PolarHBondContact O-N 2.98Å; A1357-C1361 PolarHBondContact O-SG 2.93Å; A1358-C1361 PolarHBondContact O-N 3.47Å; A1358-C1361 VanDerWaalsContact O-O 3.13Å; C1361-K1370 CarbonylContact C-O 3.54Å; C1361-K1370 WeakPolarHBondContact CA-O 3.37Å |
| 1362 | L | 94.5 | Very high | 92.6 | Very high | 41 Ų | 41 | 22 Ų | 22 | 22% | 0.215 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 151.2 | 179.1 | -54.8 | -170.9 | 0 | 0 | 0 | 111.6 | V1283 M1304 G1307 D1308 V1369 K1370 A1372 | V1283-L1362 HydrophobicContact CG2-CB 4.32Å; V1283-L1362 HydrophobicContact CG2-CD1 4.14Å; V1283-L1362 HydrophobicContact CG2-CG 4.37Å; M1304-L1362 HydrophobicContact CB-CB 3.64Å; M1304-L1362 HydrophobicContact CB-CD1 4.03Å; M1304-L1362 HydrophobicContact CB-CG 4.48Å; M1304-L1362 HydrophobicContact CE-CB 3.83Å; M1304-L1362 WeakPolarHBondContact CE-O 3.47Å; M1304-L1362 HydrophobicContact CG-CB 3.67Å; M1304-L1362 HydrophobicContact CG-CD1 3.92Å; M1304-L1362 HydrophobicContact CG-CG 4.46Å; G1307-L1362 CarbonylContact O-C 3.56Å; G1307-L1362 VanDerWaalsContact O-CA 3.28Å; G1307-L1362 WeakPolarHBondContact O-CA 3.39Å; D1308-L1362 HydrophobicContact CB-CD2 3.74Å; L1362-V1369 CarbonylContact O-C 3.6Å; L1362-V1369 VanDerWaalsContact O-CA 3.28Å; L1362-V1369 WeakPolarHBondContact O-CA 3.44Å; L1362-K1370 PolarHBondContact N-O 3.41Å; L1362-K1370 PolarHBondContact O-N 3.38Å; L1362-A1372 HydrophobicContact CD1-CB 4.01Å; L1362-A1372 HydrophobicContact CG-CB 3.83Å |
| 1363 | V | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 125.2 | -176 | -169.6 | 0 | 0 | 0 | 0 | 110.4 | M1304 A1305 F1306 G1307 L1309 Y1312 L1367 V1369 | M1304-V1363 CarbonylContact C-O 3.46Å; A1305-V1363 PolarHBondContact N-O 2.76Å; F1306-V1363 HydrophobicContact CB-CB 3.98Å; F1306-V1363 HydrophobicContact CB-CG1 4.15Å; F1306-V1363 HydrophobicContact CD2-CG1 4.12Å; F1306-V1363 PolarHBondContact N-O 2.78Å; G1307-V1363 PolarHBondContact O-N 2.92Å; L1309-V1363 HydrophobicContact CB-CG2 3.85Å; L1309-V1363 HydrophobicContact CD1-CG2 3.84Å; L1309-V1363 HydrophobicContact CG-CG2 4.47Å; Y1312-V1363 HydrophobicContact CG-CG2 4.32Å; V1363-L1367 HydrophobicContact CG1-CD2 4.23Å; V1363-V1369 HydrophobicContact CG2-CG1 4.07Å |
| 1364 | N | 90.3 | Very high | 91.8 | Very high | 16 Ų | 16 | 23.5 Ų | 23.5 | 9% | 0.086 | 12% | 0.121 | C | C | . | . | trans | -90.2 | 173.5 | 177.1 | 79.6 | 4.4 | 0 | 0 | 0 | 112.9 | M1304 F1306 M1366 L1367 T1368 | M1304-N1364 HydrophobicContact CE-CB 3.8Å; M1304-N1364 HydrophobicContact SD-CB 3.86Å; F1306-N1364 WeakPolarHBondContact CD2-O 3.42Å; N1364-M1366 PolarHBondContact O-N 2.86Å; N1364-M1366 WeakPolarHBondContact OD1-CA 3.12Å; N1364-M1366 WeakPolarHBondContact OD1-CB 3.47Å; N1364-M1366 PolarHBondContact OD1-N 2.96Å; N1364-L1367 PolarHBondContact O-N 3.41Å; N1364-L1367 PolarHBondContact OD1-N 2.85Å; N1364-T1368 PolarHBondContact N-O 2.87Å; N1364-T1368 WeakPolarHBondContact OD1-CB 3.45Å; N1364-T1368 PolarHBondContact OD1-N 3.26Å; N1364-T1368 PolarHBondContact OD1-OG1 2.79Å | ||
| 1365 | S | 87.1 | Confident | 90.8 | Very high | 56 Ų | 56 | 23.4 Ų | 23.4 | 39% | 0.392 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -1.4 | 179.8 | 55.2 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1366 | M | 87.7 | Confident | 89.5 | Confident | 137 Ų | 137 | 24.6 Ų | 24.6 | 68% | 0.675 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 17.4 | 172.8 | -54.5 | -172.7 | -62.6 | 0 | 0 | 111.9 | N1364 T1368 | N1364-M1366 PolarHBondContact O-N 2.86Å; N1364-M1366 WeakPolarHBondContact OD1-CA 3.12Å; N1364-M1366 WeakPolarHBondContact OD1-CB 3.47Å; N1364-M1366 PolarHBondContact OD1-N 2.96Å; M1366-T1368 PolarHBondContact O-N 2.79Å; M1366-T1368 VanDerWaalsContact O-N 3.08Å |
| 1367 | L | 89.2 | Confident | 88.3 | Confident | 51 Ų | 51 | 24.6 Ų | 24.6 | 27% | 0.267 | 13% | 0.128 | S | C | . | . | S | Bend | trans | 55.4 | 21.7 | -175.4 | -54.7 | -178.9 | 0 | 0 | 0 | 114.5 | F1306 Y1312 L1331 W1335 V1363 N1364 | F1306-L1367 HydrophobicContact CD2-CD2 3.82Å; F1306-L1367 HydrophobicContact CE2-CD2 3.68Å; Y1312-L1367 HydrophobicContact CE1-CD2 4.39Å; Y1312-L1367 HydrophobicContact CE2-CD2 4.05Å; Y1312-L1367 VanDerWaalsContact OH-CD2 3.31Å; Y1312-L1367 WeakPolarHBondContact OH-CD2 3.46Å; L1331-L1367 HydrophobicContact CD1-CB 4.17Å; L1331-L1367 HydrophobicContact CD1-CD1 4.5Å; L1331-L1367 HydrophobicContact CD2-CD1 4.19Å; W1335-L1367 PolarHBondContact NE1-O 2.98Å; V1363-L1367 HydrophobicContact CG1-CD2 4.23Å; N1364-L1367 PolarHBondContact O-N 3.41Å; N1364-L1367 PolarHBondContact OD1-N 2.85Å |
| 1368 | T | 92.4 | Very high | 87.3 | Confident | 13 Ų | 13 | 26.6 Ų | 26.6 | 8% | 0.08 | 14% | 0.136 | C | C | . | . | trans | -79.7 | 129.1 | 171 | -50.3 | 0 | 0 | 0 | 0 | 109.1 | Y1281 N1364 M1366 | Y1281-T1368 HydrophobicContact CD1-CG2 3.79Å; Y1281-T1368 HydrophobicContact CE1-CG2 3.79Å; N1364-T1368 PolarHBondContact N-O 2.87Å; N1364-T1368 WeakPolarHBondContact OD1-CB 3.45Å; N1364-T1368 PolarHBondContact OD1-N 3.26Å; N1364-T1368 PolarHBondContact OD1-OG1 2.79Å; M1366-T1368 PolarHBondContact O-N 2.79Å; M1366-T1368 VanDerWaalsContact O-N 3.08Å | ||
| 1369 | V | 95.7 | Very high | 86.2 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 138.7 | 172 | -69.7 | 0 | 0 | 0 | 0 | 111 | L1309 W1335 Q1338 L1339 L1362 V1363 | L1309-V1369 HydrophobicContact CD1-CG1 3.92Å; L1309-V1369 HydrophobicContact CD2-CG1 3.94Å; L1309-V1369 HydrophobicContact CG-CG1 4.34Å; W1335-V1369 HydrophobicContact CB-CG1 4.45Å; W1335-V1369 HydrophobicContact CB-CG2 3.88Å; W1335-V1369 HydrophobicContact CD2-CG1 4.29Å; W1335-V1369 HydrophobicContact CG-CG1 3.86Å; W1335-V1369 HydrophobicContact CG-CG2 3.99Å; Q1338-V1369 HydrophobicContact CB-CG2 3.71Å; L1339-V1369 HydrophobicContact CD1-CG2 4.38Å; L1339-V1369 HydrophobicContact CD2-CB 4.04Å; L1339-V1369 HydrophobicContact CD2-CG2 3.73Å; L1339-V1369 HydrophobicContact CG-CB 4.42Å; L1339-V1369 HydrophobicContact CG-CG2 3.67Å; L1362-V1369 CarbonylContact O-C 3.6Å; L1362-V1369 VanDerWaalsContact O-CA 3.28Å; L1362-V1369 WeakPolarHBondContact O-CA 3.44Å; V1363-V1369 HydrophobicContact CG2-CG1 4.07Å |
| 1370 | K | 96 | Very high | 84.7 | Confident | 22 Ų | 22 | 25.4 Ų | 25.4 | 10% | 0.096 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 143.4 | 174.8 | -55.9 | -168.3 | 176.6 | -160.8 | 0 | 111.3 | M1280 Y1281 V1283 E1302 M1304 C1361 L1362 | M1280-K1370 WeakPolarHBondContact O-CD 3.1Å; M1280-K1370 WeakPolarHBondContact O-CE 3.28Å; M1280-K1370 PolarHBondContact O-NZ 3.31Å; Y1281-K1370 WeakPolarHBondContact O-CA 3.4Å; V1283-K1370 HydrophobicContact CG2-CB 3.74Å; E1302-K1370 WeakPolarHBondContact OE1-CD 3.34Å; E1302-K1370 WeakPolarHBondContact OE1-CE 3.44Å; E1302-K1370 IonicContact OE1-NZ 3.92Å; E1302-K1370 PolarHBondContact OE1-NZ 3.31Å; E1302-K1370 WeakPolarHBondContact OE2-CE 3.29Å; E1302-K1370 IonicContact OE2-NZ 3.72Å; E1302-K1370 PolarHBondContact OE2-NZ 3.09Å; M1304-K1370 HydrophobicContact CE-CB 3.78Å; M1304-K1370 HydrophobicContact CE-CD 3.99Å; M1304-K1370 HydrophobicContact CE-CG 3.7Å; M1304-K1370 HydrophobicContact SD-CD 4.02Å; M1304-K1370 HydrophobicContact SD-CG 4.4Å; C1361-K1370 CarbonylContact C-O 3.54Å; C1361-K1370 WeakPolarHBondContact CA-O 3.37Å; L1362-K1370 PolarHBondContact N-O 3.41Å; L1362-K1370 PolarHBondContact O-N 3.38Å |
| 1371 | I | 95.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 140.4 | -177.3 | -60.1 | 158.4 | 0 | 0 | 0 | 110.8 | Y1281 I1282 V1283 L1339 M1343 L1346 H1353 F1374 | Y1281-I1371 PolarHBondContact O-N 2.98Å; I1282-I1371 HydrophobicContact CG1-CB 4.45Å; V1283-I1371 PolarHBondContact N-O 3.18Å; L1339-I1371 HydrophobicContact CD2-CG1 3.77Å; M1343-I1371 HydrophobicContact CB-CD1 4.49Å; M1343-I1371 HydrophobicContact CG-CD1 3.7Å; M1343-I1371 HydrophobicContact SD-CD1 3.81Å; M1343-I1371 HydrophobicContact SD-CG2 4.49Å; L1346-I1371 HydrophobicContact CD1-CG2 4.43Å; H1353-I1371 WeakPolarHBondContact CD2-CG2 3.49Å; H1353-I1371 WeakPolarHBondContact NE2-CG2 3.45Å; I1371-F1374 HydrophobicContact CB-CZ 4.47Å; I1371-F1374 HydrophobicContact CG2-CE1 4.49Å; I1371-F1374 HydrophobicContact CG2-CZ 3.88Å |
| 1372 | A | 91 | Very high | 80.4 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | trans | -144.6 | -179.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | V1283 H1353 N1360 L1362 | V1283-A1372 HydrophobicContact CB-CB 4.26Å; V1283-A1372 HydrophobicContact CG2-CB 3.82Å; H1353-A1372 PolarHBondContact CE1-O 2.77Å; H1353-A1372 PolarHBondContact NE2-O 2.87Å; N1360-A1372 WeakPolarHBondContact O-CA 3.39Å; N1360-A1372 WeakPolarHBondContact O-CB 3.29Å; N1360-A1372 PolarHBondContact O-N 3.1Å; L1362-A1372 HydrophobicContact CD1-CB 4.01Å; L1362-A1372 HydrophobicContact CG-CB 3.83Å | ||
| 1373 | D | 84.1 | Confident | 77.9 | Confident | 34 Ų | 34 | 37.1 Ų | 37.1 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | trans | 54.6 | 67.7 | -177.4 | -154.6 | 42.3 | 0 | 0 | 0 | 114.2 | K1253 G1375 | K1253-D1373 IonicContact NZ-OD1 2.74Å; K1253-D1373 PolarHBondContact NZ-OD1 2.66Å; D1373-G1375 PolarHBondContact O-N 2.79Å | ||
| 1374 | F | 80.6 | Confident | 75.9 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -78.2 | 6.2 | -177.9 | -71.3 | -87 | 0 | 0 | 0 | 113.9 | E1270 M1274 L1277 I1282 L1346 I1371 L1376 A1377 | E1270-F1374 HydrophobicContact CG-CB 4.11Å; E1270-F1374 PolarHBondContact OE1-N 3.33Å; M1274-F1374 HydrophobicContact CE-CD2 4.43Å; M1274-F1374 HydrophobicContact CG-CB 4.05Å; M1274-F1374 HydrophobicContact CG-CD2 3.68Å; M1274-F1374 HydrophobicContact CG-CG 4.09Å; M1274-F1374 HydrophobicContact SD-CD2 4.13Å; L1277-F1374 HydrophobicContact CD1-CD1 3.92Å; L1277-F1374 HydrophobicContact CD1-CD2 4.3Å; L1277-F1374 HydrophobicContact CD1-CE1 3.6Å; L1277-F1374 HydrophobicContact CD1-CE2 4Å; L1277-F1374 HydrophobicContact CD1-CG 4.27Å; L1277-F1374 HydrophobicContact CD1-CZ 3.65Å; I1282-F1374 HydrophobicContact CG2-CE2 3.72Å; I1282-F1374 HydrophobicContact CG2-CZ 3.64Å; L1346-F1374 HydrophobicContact CD1-CE1 3.82Å; L1346-F1374 HydrophobicContact CD1-CZ 4.25Å; L1346-F1374 HydrophobicContact CD2-CE1 3.79Å; L1346-F1374 HydrophobicContact CD2-CZ 4.5Å; L1346-F1374 HydrophobicContact CG-CE1 4.47Å; I1371-F1374 HydrophobicContact CB-CZ 4.47Å; I1371-F1374 HydrophobicContact CG2-CE1 4.49Å; I1371-F1374 HydrophobicContact CG2-CZ 3.88Å; F1374-L1376 PolarHBondContact O-N 2.67Å; F1374-L1376 VanDerWaalsContact O-N 3.15Å; F1374-A1377 HydrophobicContact CB-CB 4.1Å; F1374-A1377 HydrophobicContact CD1-CB 3.77Å; F1374-A1377 HydrophobicContact CG-CB 4.43Å; F1374-A1377 VanDerWaalsContact O-CB 3.27Å; F1374-A1377 WeakPolarHBondContact O-CB 3.45Å; F1374-A1377 PolarHBondContact O-N 3.4Å |
| 1375 | G | 68.3 | Low | 73.9 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -56 | -31.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D1373 R1378 | D1373-G1375 PolarHBondContact O-N 2.79Å; G1375-R1378 PolarHBondContact O-NH1 3.34Å |
| 1376 | L | 63.5 | Low | 71.9 | Confident | 37 Ų | 37 | 42.2 Ų | 42.2 | 19% | 0.194 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -92.1 | -7.6 | 172.8 | -70 | -179.6 | 0 | 0 | 0 | 114.3 | H1353 R1354 D1355 F1374 | H1353-L1376 CarbonylContact O-C 3.48Å; R1354-L1376 HydrophobicContact CB-CB 4.45Å; R1354-L1376 WeakPolarHBondContact CD-O 3.3Å; R1354-L1376 PolarHBondContact NH1-O 2.8Å; D1355-L1376 HydrophobicContact CB-CB 4.34Å; D1355-L1376 HydrophobicContact CB-CD1 3.89Å; F1374-L1376 PolarHBondContact O-N 2.67Å; F1374-L1376 VanDerWaalsContact O-N 3.15Å |
| 1377 | A | 71.4 | Confident | 70 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -68.5 | 146.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1273 I1351 I1352 H1353 F1374 | F1273-A1377 WeakPolarHBondContact CE2-O 3.16Å; I1351-A1377 HydrophobicContact CG2-CB 4.15Å; I1352-A1377 CarbonylContact O-C 3.51Å; I1352-A1377 WeakPolarHBondContact O-CA 3.24Å; H1353-A1377 WeakPolarHBondContact O-CA 3.46Å; H1353-A1377 PolarHBondContact O-N 2.86Å; F1374-A1377 HydrophobicContact CB-CB 4.1Å; F1374-A1377 HydrophobicContact CD1-CB 3.77Å; F1374-A1377 HydrophobicContact CG-CB 4.43Å; F1374-A1377 VanDerWaalsContact O-CB 3.27Å; F1374-A1377 WeakPolarHBondContact O-CB 3.45Å; F1374-A1377 PolarHBondContact O-N 3.4Å | ||
| 1378 | R | 74 | Confident | 68 | Low | 42 Ų | 42 | 39.1 Ų | 39.1 | 16% | 0.158 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 131.1 | 179 | -62.1 | -66.4 | -179.7 | -87.9 | 7.5 | 111 | E1266 I1352 G1375 V1380 Y1386 | E1266-R1378 IonicContact OE1-NH2 2.67Å; E1266-R1378 PolarHBondContact OE1-NH2 3.31Å; I1352-R1378 PolarHBondContact N-O 2.68Å; I1352-R1378 PolarHBondContact O-N 2.92Å; G1375-R1378 PolarHBondContact O-NH1 3.34Å; R1378-V1380 VanDerWaalsContact O-CG2 3.31Å; R1378-V1380 WeakPolarHBondContact O-CG2 3.37Å; R1378-Y1386 HydrophobicContact CB-CD2 4.09Å; R1378-Y1386 HydrophobicContact CB-CE2 4.26Å; R1378-Y1386 HydrophobicContact CB-CG 4.33Å; R1378-Y1386 HydrophobicContact CG-CD2 4.28Å; R1378-Y1386 HydrophobicContact CG-CE1 4.25Å; R1378-Y1386 HydrophobicContact CG-CE2 3.97Å |
| 1379 | L | 71.6 | Confident | 65.4 | Low | 53 Ų | 53 | 43.9 Ų | 43.9 | 28% | 0.277 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 141.4 | 171.3 | 179.5 | 71.1 | 0 | 0 | 0 | 111.5 | R813 F1273 L1349 I1351 | R813-L1379 PolarHBondContact NH2-O 3.41Å; F1273-L1379 HydrophobicContact CE1-CB 3.85Å; F1273-L1379 HydrophobicContact CZ-CB 4.5Å; L1349-L1379 WeakPolarHBondContact O-CD1 2.8Å; I1351-L1379 HydrophobicContact CG1-CB 4.43Å; I1351-L1379 HydrophobicContact CG1-CD1 3.82Å |
| 1380 | V | 62.8 | Low | 62.5 | Low | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | trans | -131.5 | 62.4 | -168 | -139.4 | 0 | 0 | 0 | 0 | 113.6 | H1350 I1352 R1378 N1382 Q1383 Y1385 | H1350-V1380 PolarHBondContact O-N 3.31Å; I1352-V1380 HydrophobicContact CD1-CG2 3.59Å; I1352-V1380 HydrophobicContact CG1-CG2 3.73Å; R1378-V1380 VanDerWaalsContact O-CG2 3.31Å; R1378-V1380 WeakPolarHBondContact O-CG2 3.37Å; V1380-N1382 PolarHBondContact O-N 2.88Å; V1380-Q1383 WeakPolarHBondContact CB-O 3.14Å; V1380-Q1383 HydrophobicContact CG1-CB 3.85Å; V1380-Q1383 WeakPolarHBondContact CG1-O 3.34Å; V1380-Q1383 CarbonylContact O-C 3.49Å; V1380-Q1383 PolarHBondContact O-N 2.97Å; V1380-Q1383 VanDerWaalsContact O-O 3.09Å; V1380-Y1385 VanDerWaalsContact CG1-O 3.3Å; V1380-Y1385 WeakPolarHBondContact CG1-O 3.24Å | ||
| 1381 | N | 48.8 | Very low | 59.9 | Low | 84 Ų | 84 | 50.4 Ų | 50.4 | 45% | 0.449 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | 123 | -177.8 | -36.9 | 62.2 | 0 | 0 | 0 | 112.4 | R813 Q1383 | R813-N1381 PolarHBondContact NH2-OD1 2.88Å; R813-N1381 VanDerWaalsContact NH2-OD1 3.08Å; N1381-Q1383 WeakPolarHBondContact O-CB 3.27Å; N1381-Q1383 WeakPolarHBondContact O-CG 3.13Å; N1381-Q1383 PolarHBondContact O-N 3.21Å; N1381-Q1383 VanDerWaalsContact O-N 3.07Å |
| 1382 | N | 50.2 | Low | 57.7 | Low | 166 Ų | 166 | 53.5 Ų | 53.5 | 89% | 0.888 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 25.3 | -179.2 | -60.8 | 10.7 | 0 | 0 | 0 | 114.2 | V1380 | V1380-N1382 PolarHBondContact O-N 2.88Š|
| 1383 | Q | 40.5 | Very low | 56.2 | Low | 51 Ų | 51 | 64.2 Ų | 64.2 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | trans | -144.4 | 102.8 | -169.9 | -76.5 | -155.1 | 19.9 | 0 | 0 | 110.7 | R815 V1380 N1381 Y1385 | R815-Q1383 VanDerWaalsContact CZ-CA 3.46Å; R815-Q1383 VanDerWaalsContact CZ-CB 3.48Å; R815-Q1383 VanDerWaalsContact NH2-CA 3.27Å; R815-Q1383 VanDerWaalsContact NH2-CB 3.3Å; V1380-Q1383 WeakPolarHBondContact CB-O 3.14Å; V1380-Q1383 HydrophobicContact CG1-CB 3.85Å; V1380-Q1383 WeakPolarHBondContact CG1-O 3.34Å; V1380-Q1383 CarbonylContact O-C 3.49Å; V1380-Q1383 PolarHBondContact O-N 2.97Å; V1380-Q1383 VanDerWaalsContact O-O 3.09Å; N1381-Q1383 WeakPolarHBondContact O-CB 3.27Å; N1381-Q1383 WeakPolarHBondContact O-CG 3.13Å; N1381-Q1383 PolarHBondContact O-N 3.21Å; N1381-Q1383 VanDerWaalsContact O-N 3.07Å; Q1383-Y1385 PolarHBondContact O-N 2.61Å | ||
| 1384 | E | 54.2 | Low | 55.7 | Low | 140 Ų | 140 | 65.2 Ų | 65.2 | 65% | 0.654 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -51.2 | -5.6 | 177.5 | -51.4 | 175.5 | 139.7 | 0 | 0 | 117.5 | ||
| 1385 | Y | 48.4 | Very low | 56 | Low | 5 Ų | 5 | 65.6 Ų | 65.6 | 2% | 0.02 | 33% | 0.33 | C | S | . | . | trans | -158.4 | 146.8 | -171.3 | 77 | -109.4 | 0 | 0 | 0 | 112 | R815 G816 K817 V1380 Q1383 R1387 Y1408 F1409 | R815-Y1385 VanDerWaalsContact CA-OH 3.32Å; R815-Y1385 WeakPolarHBondContact CA-OH 3.48Å; R815-Y1385 HydrophobicContact CG-CE1 4.45Å; R815-Y1385 HydrophobicContact CG-CE2 4.4Å; R815-Y1385 WeakPolarHBondContact CG-OH 3.28Å; R815-Y1385 VanDerWaalsContact CZ-CE1 3.4Å; R815-Y1385 PolarHBondContact NH2-O 3.49Å; R815-Y1385 VanDerWaalsContact NH2-O 3.1Å; G816-Y1385 WeakPolarHBondContact CA-OH 3.33Å; K817-Y1385 HydrophobicContact CD-CD1 4.31Å; K817-Y1385 HydrophobicContact CD-CE1 4.03Å; V1380-Y1385 VanDerWaalsContact CG1-O 3.3Å; V1380-Y1385 WeakPolarHBondContact CG1-O 3.24Å; Q1383-Y1385 PolarHBondContact O-N 2.61Å; Y1385-R1387 HydrophobicContact CE2-CB 4.46Å; Y1385-Y1408 HydrophobicContact CD1-CD1 4.11Å; Y1385-Y1408 HydrophobicContact CD1-CE1 4.33Å; Y1385-Y1408 AromaticContact CD2-CD1 3.33Å; Y1385-Y1408 HydrophobicContact CD2-CD1 3.33Å; Y1385-Y1408 AromaticContact CD2-CE1 3.72Å; Y1385-Y1408 HydrophobicContact CD2-CE1 3.72Å; Y1385-Y1408 HydrophobicContact CD2-CG 4.24Å; Y1385-Y1408 HydrophobicContact CE1-CD1 4.14Å; Y1385-Y1408 AromaticContact CE1-CE1 3.88Å; Y1385-Y1408 HydrophobicContact CE1-CE1 3.88Å; Y1385-Y1408 AromaticContact CE2-CD1 3.41Å; Y1385-Y1408 HydrophobicContact CE2-CD1 3.41Å; Y1385-Y1408 VanDerWaalsContact CE2-CD1 3.41Å; Y1385-Y1408 AromaticContact CE2-CE1 3.23Å; Y1385-Y1408 HydrophobicContact CE2-CE1 3.23Å; Y1385-Y1408 HydrophobicContact CE2-CG 4.46Å; Y1385-Y1408 AromaticContact CG-CD1 3.73Å; Y1385-Y1408 HydrophobicContact CG-CD1 3.73Å; Y1385-Y1408 HydrophobicContact CG-CE1 4.26Å; Y1385-Y1408 AromaticContact CZ-CD1 3.79Å; Y1385-Y1408 AromaticContact CZ-CE1 3.3Å; Y1385-Y1408 WeakPolarHBondContact OH-CE1 3.18Å; Y1385-F1409 CarbonylContact C-O 3.46Å; Y1385-F1409 WeakPolarHBondContact CA-O 2.88Å; Y1385-F1409 WeakPolarHBondContact CB-O 3.33Å | ||
| 1386 | Y | 43.3 | Very low | 57 | Low | 35 Ų | 35 | 66.3 Ų | 66.3 | 14% | 0.137 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.3 | 170.6 | 171 | -92.5 | 0 | 0 | 0 | 109.2 | V812 R1378 K1388 F1409 | V812-Y1386 HydrophobicContact CG1-CE2 4.47Å; R1378-Y1386 HydrophobicContact CB-CD2 4.09Å; R1378-Y1386 HydrophobicContact CB-CE2 4.26Å; R1378-Y1386 HydrophobicContact CB-CG 4.33Å; R1378-Y1386 HydrophobicContact CG-CD2 4.28Å; R1378-Y1386 HydrophobicContact CG-CE1 4.25Å; R1378-Y1386 HydrophobicContact CG-CE2 3.97Å; Y1386-K1388 HydrophobicContact CE1-CB 4.06Å; Y1386-F1409 HydrophobicContact CD1-CD2 4.03Å; Y1386-F1409 PolarHBondContact N-O 3.21Å; Y1386-F1409 PolarHBondContact O-N 2.96Å |
| 1387 | R | 49.1 | Very low | 58.4 | Low | 99 Ų | 99 | 65.6 Ų | 65.6 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.1 | 172.1 | -175.6 | -167.9 | -174.9 | -158.7 | 0.8 | 109.6 | I814 Y1385 A1407 Y1408 | I814-R1387 HydrophobicContact CB-CB 4.38Å; I814-R1387 HydrophobicContact CD1-CB 4Å; I814-R1387 HydrophobicContact CD1-CG 4.49Å; I814-R1387 WeakPolarHBondContact CD1-O 3.38Å; Y1385-R1387 HydrophobicContact CE2-CB 4.46Å; R1387-A1407 VanDerWaalsContact CA-O 3.31Å; R1387-A1407 WeakPolarHBondContact CA-O 3.3Å; R1387-Y1408 HydrophobicContact CB-CD2 4.26Å; R1387-Y1408 HydrophobicContact CB-CE2 4.38Å; R1387-Y1408 HydrophobicContact CB-CG 4.47Å; R1387-Y1408 HydrophobicContact CG-CD2 3.88Å; R1387-Y1408 HydrophobicContact CG-CE2 3.89Å |
| 1388 | K | 46.6 | Very low | 59.6 | Low | 24 Ų | 24 | 67 Ų | 67 | 10% | 0.104 | 33% | 0.333 | C | S | . | . | trans | -76.8 | 137.7 | 173.9 | -177.3 | -177.4 | 174.5 | -176.8 | 0 | 110.4 | Y1386 A1392 L1394 A1407 F1409 | Y1386-K1388 HydrophobicContact CE1-CB 4.06Å; K1388-A1392 VanDerWaalsContact NZ-N 3.19Å; K1388-A1392 PolarHBondContact NZ-O 2.8Å; K1388-L1394 HydrophobicContact CD-CD1 4.15Å; K1388-L1394 HydrophobicContact CD-CD2 4.11Å; K1388-L1394 HydrophobicContact CD-CG 4.48Å; K1388-L1394 VanDerWaalsContact NZ-CG 3.34Å; K1388-A1407 HydrophobicContact CB-CB 4.3Å; K1388-A1407 PolarHBondContact N-O 2.88Å; K1388-F1409 HydrophobicContact CB-CD2 4.48Å; K1388-F1409 HydrophobicContact CB-CE2 3.82Å | ||
| 1389 | I | 37.4 | Very low | 60.6 | Low | 112 Ų | 112 | 65.4 Ų | 65.4 | 57% | 0.574 | 33% | 0.327 | S | S | * | . | trans | -110.4 | 149.2 | 166 | -59.7 | 178.5 | 0 | 0 | 0 | 107.5 | I814 | I814-I1389 HydrophobicContact CD1-CD1 3.64Å; I814-I1389 HydrophobicContact CD1-CG1 3.83Å; I814-I1389 HydrophobicContact CG1-CD1 3.92Å; I814-I1389 HydrophobicContact CG1-CG1 4.42Å | ||
| 1390 | G | 35.8 | Very low | 61.8 | Low | 50 Ų | 50 | 62.9 Ų | 62.9 | 52% | 0.515 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 77.4 | 173.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1391 | Q | 41.2 | Very low | 63.3 | Low | 109 Ų | 109 | 62.8 Ų | 62.8 | 51% | 0.509 | 31% | 0.314 | S | S | . | . | trans | -85 | 141.1 | 177.6 | -63.6 | -177.6 | 19 | 0 | 0 | 111.1 | L790 I793 | L790-Q1391 VanDerWaalsContact CD2-NE2 3.33Å; L790-Q1391 VanDerWaalsContact CD2-OE1 3.29Å; I793-Q1391 HydrophobicContact CD1-CG 3.82Å | ||
| 1392 | A | 49.7 | Very low | 65.3 | Low | 65 Ų | 65 | 59.7 Ų | 59.7 | 54% | 0.537 | 30% | 0.297 | S | S | . | . | trans | -165.2 | 164.9 | 155.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | K1388 | K1388-A1392 VanDerWaalsContact NZ-N 3.19Å; K1388-A1392 PolarHBondContact NZ-O 2.8Å | ||
| 1393 | R | 57.9 | Low | 67.3 | Low | 235 Ų | 235 | 52 Ų | 52 | 89% | 0.887 | 26% | 0.256 | S | S | * | . | trans | -52.3 | 144 | 174.1 | -67 | 177.5 | 172.6 | 117.7 | 0.5 | 110.5 | ||||
| 1394 | L | 73.7 | Confident | 69.6 | Low | 55 Ų | 55 | 50.7 Ų | 50.7 | 29% | 0.288 | 25% | 0.25 | S | S | . | . | trans | -146.7 | 145.8 | -177.3 | -77.5 | 179.4 | 0 | 0 | 0 | 110.2 | K1388 V1396 M1399 F1409 | K1388-L1394 HydrophobicContact CD-CD1 4.15Å; K1388-L1394 HydrophobicContact CD-CD2 4.11Å; K1388-L1394 HydrophobicContact CD-CG 4.48Å; K1388-L1394 VanDerWaalsContact NZ-CG 3.34Å; L1394-V1396 VanDerWaalsContact C-N 3.28Å; L1394-V1396 PolarHBondContact O-N 3.03Å; L1394-M1399 HydrophobicContact CB-CE 4.43Å; L1394-M1399 HydrophobicContact CB-SD 3.79Å; L1394-M1399 HydrophobicContact CD1-CE 3.92Å; L1394-M1399 HydrophobicContact CD1-SD 4.37Å; L1394-M1399 HydrophobicContact CG-SD 4.45Å; L1394-F1409 HydrophobicContact CD2-CE1 4.39Å; L1394-F1409 HydrophobicContact CD2-CZ 3.77Å | ||
| 1395 | P | 87.5 | Confident | 71 | Confident | 8 Ų | 8 | 48 Ų | 48 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | trans | -85.4 | 64.5 | -175.9 | 37.4 | -38.9 | 0 | 0 | 0 | 111.4 | D1355 R1397 W1398 M1399 | D1355-P1395 HydrophobicContact CB-CG 4.08Å; D1355-P1395 WeakPolarHBondContact OD1-CB 3.4Å; D1355-P1395 WeakPolarHBondContact OD1-CG 3.21Å; P1395-R1397 PolarHBondContact O-N 2.89Å; P1395-W1398 HydrophobicContact CB-CB 4.36Å; P1395-W1398 HydrophobicContact CB-CE3 3.9Å; P1395-W1398 PolarHBondContact O-N 3.28Å; P1395-M1399 HydrophobicContact CG-CG 4Å; P1395-M1399 HydrophobicContact CG-SD 4.24Å; P1395-M1399 WeakPolarHBondContact O-CG 2.26Å; P1395-M1399 PolarHBondContact O-N 2.86Å | ||
| 1396 | V | 89.6 | Confident | 72.3 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 12% | 0.115 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -45.1 | -43.5 | -169.3 | 176 | 0 | 0 | 0 | 0 | 113.8 | L1394 W1398 M1399 L1404 H1438 V1441 M1442 | L1394-V1396 VanDerWaalsContact C-N 3.28Å; L1394-V1396 PolarHBondContact O-N 3.03Å; V1396-W1398 VanDerWaalsContact C-N 3.25Å; V1396-W1398 PolarHBondContact O-N 3.05Å; V1396-M1399 PolarHBondContact O-N 3.05Å; V1396-L1404 HydrophobicContact CB-CD2 4.46Å; V1396-L1404 HydrophobicContact CG1-CD2 3.94Å; V1396-H1438 HydrophobicContact CB-CB 4.23Å; V1396-H1438 HydrophobicContact CG1-CB 3.99Å; V1396-H1438 WeakPolarHBondContact CG1-O 2.99Å; V1396-H1438 HydrophobicContact CG2-CB 4.33Å; V1396-V1441 HydrophobicContact CG1-CB 4.48Å; V1396-V1441 HydrophobicContact CG1-CG1 4.23Å; V1396-M1442 HydrophobicContact CG1-CG 3.73Å; V1396-M1442 HydrophobicContact CG1-SD 4.49Å |
| 1397 | R | 94 | Very high | 74.2 | Confident | 22 Ų | 22 | 49.6 Ų | 49.6 | 8% | 0.083 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -69.6 | -13.8 | -178.5 | -62.1 | 171.3 | -177.4 | -79.1 | -5.2 | 115.4 | P1395 P1432 Y1433 L1436 H1438 | P1395-R1397 PolarHBondContact O-N 2.89Å; R1397-P1432 HydrophobicContact CB-CB 4.22Å; R1397-P1432 WeakPolarHBondContact CD-O 3.01Å; R1397-P1432 PolarHBondContact NH1-O 2.84Å; R1397-Y1433 HydrophobicContact CB-CD2 4.41Å; R1397-Y1433 PolarHBondContact NH1-O 2.81Å; R1397-Y1433 WeakPolarHBondContact O-CE2 2.24Å; R1397-L1436 PolarHBondContact NH1-O 3.35Å; R1397-L1436 PolarHBondContact NH2-O 2.87Å; R1397-H1438 PolarHBondContact NE-CD2 3.17Å; R1397-H1438 PolarHBondContact NE-NE2 3.12Å; R1397-H1438 VanDerWaalsContact NE-NE2 3.19Å |
| 1398 | W | 96.5 | Very high | 75.7 | Confident | 29 Ų | 29 | 46.1 Ų | 46.1 | 11% | 0.11 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -106.8 | -6.9 | 176.8 | -64.6 | -98.7 | 0 | 0 | 0 | 112.6 | A1357 P1395 V1396 S1417 V1420 E1424 P1432 | A1357-W1398 HydrophobicContact CB-CD2 4.06Å; A1357-W1398 HydrophobicContact CB-CG 3.99Å; A1357-W1398 HydrophobicContact CB-CZ2 4.4Å; P1395-W1398 HydrophobicContact CB-CB 4.36Å; P1395-W1398 HydrophobicContact CB-CE3 3.9Å; P1395-W1398 PolarHBondContact O-N 3.28Å; V1396-W1398 VanDerWaalsContact C-N 3.25Å; V1396-W1398 PolarHBondContact O-N 3.05Å; W1398-S1417 VanDerWaalsContact O-CA 3.28Å; W1398-S1417 WeakPolarHBondContact O-CA 3.43Å; W1398-S1417 WeakPolarHBondContact O-CB 3.48Å; W1398-S1417 PolarHBondContact O-OG 3.41Å; W1398-V1420 VanDerWaalsContact CD1-CG1 3.41Å; W1398-V1420 HydrophobicContact CG-CG1 4.03Å; W1398-E1424 WeakPolarHBondContact CZ2-OE1 2.24Å; W1398-E1424 PolarHBondContact NE1-OE1 3.03Å; W1398-E1424 PolarHBondContact NE1-OE2 2.84Å; W1398-P1432 HydrophobicContact CZ2-CG 4.05Å |
| 1399 | M | 94.5 | Very high | 77.6 | Confident | 8 Ų | 8 | 45.1 Ų | 45.1 | 4% | 0.039 | 25% | 0.248 | C | C | . | . | trans | -86.7 | 146.9 | -172.5 | -73.2 | 166 | 69.3 | 0 | 0 | 113 | L1394 P1395 V1396 T1403 L1404 F1409 W1416 | L1394-M1399 HydrophobicContact CB-CE 4.43Å; L1394-M1399 HydrophobicContact CB-SD 3.79Å; L1394-M1399 HydrophobicContact CD1-CE 3.92Å; L1394-M1399 HydrophobicContact CD1-SD 4.37Å; L1394-M1399 HydrophobicContact CG-SD 4.45Å; P1395-M1399 HydrophobicContact CG-CG 4Å; P1395-M1399 HydrophobicContact CG-SD 4.24Å; P1395-M1399 WeakPolarHBondContact O-CG 2.26Å; P1395-M1399 PolarHBondContact O-N 2.86Å; V1396-M1399 PolarHBondContact O-N 3.05Å; M1399-T1403 HydrophobicContact CE-CG2 3.47Å; M1399-T1403 VanDerWaalsContact CE-CG2 3.47Å; M1399-L1404 HydrophobicContact CB-CD1 4.43Å; M1399-L1404 HydrophobicContact CB-CD2 3.54Å; M1399-L1404 HydrophobicContact CB-CG 3.82Å; M1399-L1404 HydrophobicContact CE-CD2 3.76Å; M1399-L1404 HydrophobicContact CG-CD2 4.33Å; M1399-L1404 HydrophobicContact SD-CD2 3.88Å; M1399-F1409 HydrophobicContact CE-CE1 4.24Å; M1399-F1409 HydrophobicContact CE-CZ 3.97Å; M1399-W1416 PolarHBondContact O-NE1 2.82Å; M1399-W1416 VanDerWaalsContact O-NE1 3.08Å | ||
| 1400 | A | 95.9 | Very high | 80.1 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.223 | C | C | . | . | trans | -76.3 | 156.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1402 T1403 L1404 W1416 | A1400-E1402 VanDerWaalsContact C-N 3.34Å; A1400-E1402 WeakPolarHBondContact CB-OE2 3.36Å; A1400-E1402 PolarHBondContact O-N 3.04Å; A1400-T1403 CarbonylContact O-C 3.5Å; A1400-T1403 WeakPolarHBondContact O-CA 2.82Å; A1400-T1403 VanDerWaalsContact O-CB 3.31Å; A1400-T1403 WeakPolarHBondContact O-CB 2.24Å; A1400-T1403 PolarHBondContact O-N 3.37Å; A1400-L1404 PolarHBondContact O-N 2.82Å; A1400-W1416 HydrophobicContact CB-CB 3.66Å; A1400-W1416 HydrophobicContact CB-CD2 4.1Å; A1400-W1416 HydrophobicContact CB-CG 3.71Å | ||
| 1401 | P | 94.2 | Very high | 82.8 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.019 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.7 | -36.6 | -177.8 | 18.5 | -31.6 | 0 | 0 | 0 | 114.5 | T1403 L1404 S1405 W1416 V1445 F1474 | P1401-T1403 PolarHBondContact O-N 3.19Å; P1401-L1404 PolarHBondContact O-N 2.9Å; P1401-S1405 VanDerWaalsContact O-CB 3.29Å; P1401-S1405 WeakPolarHBondContact O-CB 2.27Å; P1401-S1405 PolarHBondContact O-N 3.5Å; P1401-S1405 PolarHBondContact O-OG 3.38Å; P1401-W1416 VanDerWaalsContact CD-CZ3 3.47Å; P1401-W1416 HydrophobicContact CG-CE3 4.33Å; P1401-W1416 HydrophobicContact CG-CH2 4.27Å; P1401-W1416 HydrophobicContact CG-CZ3 3.93Å; P1401-V1445 HydrophobicContact CB-CG1 3.97Å; P1401-V1445 HydrophobicContact CG-CG1 4.3Å; P1401-F1474 HydrophobicContact CB-CD2 3.94Å; P1401-F1474 HydrophobicContact CB-CE2 3.53Å; P1401-F1474 HydrophobicContact CB-CZ 4.27Å; P1401-F1474 HydrophobicContact CG-CD2 3.7Å; P1401-F1474 HydrophobicContact CG-CE2 3.83Å; P1401-F1474 HydrophobicContact CG-CG 4.46Å |
| 1402 | E | 92.4 | Very high | 85.4 | Confident | 19 Ų | 19 | 36.5 Ų | 36.5 | 9% | 0.089 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.6 | -27.7 | 175.2 | 78.9 | -78.2 | -160.8 | 0 | 0 | 112.4 | A1400 S1406 Y1408 T1410 S1413 P1476 R1479 | A1400-E1402 VanDerWaalsContact C-N 3.34Å; A1400-E1402 WeakPolarHBondContact CB-OE2 3.36Å; A1400-E1402 PolarHBondContact O-N 3.04Å; E1402-S1406 PolarHBondContact O-N 3.38Å; E1402-S1406 PolarHBondContact O-OG 2.83Å; E1402-Y1408 PolarHBondContact O-N 2.74Å; E1402-T1410 PolarHBondContact OE1-OG1 3.16Å; E1402-S1413 WeakPolarHBondContact OE1-CB 3.36Å; E1402-P1476 HydrophobicContact CB-CG 4.11Å; E1402-P1476 HydrophobicContact CG-CG 3.8Å; E1402-P1476 WeakPolarHBondContact OE1-CG 3.25Å; E1402-R1479 VanDerWaalsContact CD-NH1 3.32Å; E1402-R1479 IonicContact OE1-CZ 2.96Å; E1402-R1479 IonicContact OE1-NH1 2.77Å; E1402-R1479 PolarHBondContact OE1-NH1 3.37Å; E1402-R1479 IonicContact OE1-NH2 3.42Å; E1402-R1479 IonicContact OE2-CZ 2.65Å; E1402-R1479 IonicContact OE2-NH1 2.68Å; E1402-R1479 PolarHBondContact OE2-NH1 3Å; E1402-R1479 IonicContact OE2-NH2 3.7Å; E1402-R1479 PolarHBondContact OE2-NH2 2.89Å |
| 1403 | T | 90.9 | Very high | 87.6 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -81.3 | -34.4 | 178.9 | -44.5 | 0 | 0 | 0 | 0 | 111.6 | M1399 A1400 P1401 A1407 Y1408 F1409 S1413 | M1399-T1403 HydrophobicContact CE-CG2 3.47Å; M1399-T1403 VanDerWaalsContact CE-CG2 3.47Å; A1400-T1403 CarbonylContact O-C 3.5Å; A1400-T1403 WeakPolarHBondContact O-CA 2.82Å; A1400-T1403 VanDerWaalsContact O-CB 3.31Å; A1400-T1403 WeakPolarHBondContact O-CB 2.24Å; A1400-T1403 PolarHBondContact O-N 3.37Å; P1401-T1403 PolarHBondContact O-N 3.19Å; T1403-A1407 WeakPolarHBondContact O-CA 3.34Å; T1403-A1407 PolarHBondContact O-N 3.44Å; T1403-A1407 VanDerWaalsContact O-N 3.14Å; T1403-Y1408 WeakPolarHBondContact CA-O 3.38Å; T1403-Y1408 WeakPolarHBondContact CB-O 3.23Å; T1403-Y1408 PolarHBondContact N-O 2.99Å; T1403-Y1408 PolarHBondContact OG1-O 3.23Å; T1403-F1409 HydrophobicContact CG2-CB 4.41Å; T1403-F1409 HydrophobicContact CG2-CD1 3.33Å; T1403-F1409 HydrophobicContact CG2-CD2 3.75Å; T1403-F1409 HydrophobicContact CG2-CE1 3.29Å; T1403-F1409 HydrophobicContact CG2-CE2 3.67Å; T1403-F1409 HydrophobicContact CG2-CG 3.56Å; T1403-F1409 HydrophobicContact CG2-CZ 3.43Å; T1403-F1409 VanDerWaalsContact CG2-CZ 3.43Å; T1403-S1413 WeakPolarHBondContact OG1-CB 2.27Å |
| 1404 | L | 88.6 | Confident | 89.4 | Confident | 24 Ų | 24 | 22.4 Ų | 22.4 | 13% | 0.126 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -72 | -54.9 | 172.9 | -64.7 | 176.9 | 0 | 0 | 0 | 111.1 | V1396 M1399 A1400 P1401 S1406 M1442 V1445 | V1396-L1404 HydrophobicContact CB-CD2 4.46Å; V1396-L1404 HydrophobicContact CG1-CD2 3.94Å; M1399-L1404 HydrophobicContact CB-CD1 4.43Å; M1399-L1404 HydrophobicContact CB-CD2 3.54Å; M1399-L1404 HydrophobicContact CB-CG 3.82Å; M1399-L1404 HydrophobicContact CE-CD2 3.76Å; M1399-L1404 HydrophobicContact CG-CD2 4.33Å; M1399-L1404 HydrophobicContact SD-CD2 3.88Å; A1400-L1404 PolarHBondContact O-N 2.82Å; P1401-L1404 PolarHBondContact O-N 2.9Å; L1404-S1406 PolarHBondContact O-N 3.19Å; L1404-M1442 HydrophobicContact CB-CG 4.31Å; L1404-M1442 HydrophobicContact CD1-CG 4.34Å; L1404-M1442 HydrophobicContact CD2-CG 3.91Å; L1404-M1442 HydrophobicContact CG-CG 4.4Å; L1404-V1445 HydrophobicContact CD1-CB 3.94Å; L1404-V1445 HydrophobicContact CD1-CG1 3.82Å |
| 1405 | S | 83.5 | Confident | 90.5 | Very high | 84 Ų | 84 | 19.9 Ų | 19.9 | 59% | 0.587 | 12% | 0.115 | S | C | * | . | H | α-helix | trans | -64.6 | -37 | -177.2 | 57.3 | 0 | 0 | 0 | 0 | 114.8 | P1401 | P1401-S1405 VanDerWaalsContact O-CB 3.29Å; P1401-S1405 WeakPolarHBondContact O-CB 2.27Å; P1401-S1405 PolarHBondContact O-N 3.5Å; P1401-S1405 PolarHBondContact O-OG 3.38Å |
| 1406 | S | 76.6 | Confident | 91 | Very high | 44 Ų | 44 | 19.5 Ų | 19.5 | 31% | 0.308 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -131 | -1.8 | -167.7 | 73.1 | 0 | 0 | 0 | 0 | 115.6 | E1402 L1404 Y1408 | E1402-S1406 PolarHBondContact O-N 3.38Å; E1402-S1406 PolarHBondContact O-OG 2.83Å; L1404-S1406 PolarHBondContact O-N 3.19Å; S1406-Y1408 VanDerWaalsContact O-CD2 3.28Å; S1406-Y1408 WeakPolarHBondContact O-CD2 3.49Å; S1406-Y1408 PolarHBondContact O-N 3.19Å; S1406-Y1408 WeakPolarHBondContact OG-CD2 3.2Å |
| 1407 | A | 81.8 | Confident | 91.4 | Very high | 28 Ų | 28 | 18.9 Ų | 18.9 | 23% | 0.231 | 11% | 0.109 | C | C | . | . | trans | 62.3 | 22.3 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1387 K1388 T1403 F1409 | R1387-A1407 VanDerWaalsContact CA-O 3.31Å; R1387-A1407 WeakPolarHBondContact CA-O 3.3Å; K1388-A1407 HydrophobicContact CB-CB 4.3Å; K1388-A1407 PolarHBondContact N-O 2.88Å; T1403-A1407 WeakPolarHBondContact O-CA 3.34Å; T1403-A1407 PolarHBondContact O-N 3.44Å; T1403-A1407 VanDerWaalsContact O-N 3.14Å; A1407-F1409 WeakPolarHBondContact O-CD2 3.37Å | ||
| 1408 | Y | 80.9 | Confident | 91.6 | Very high | 27 Ų | 27 | 17.8 Ų | 17.8 | 11% | 0.106 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 115.3 | 173.6 | -75.9 | -124.5 | 0 | 0 | 0 | 109.6 | K817 Y1385 R1387 E1402 T1403 S1406 | K817-Y1408 HydrophobicContact CD-CD1 4.35Å; K817-Y1408 HydrophobicContact CD-CE1 4.1Å; K817-Y1408 HydrophobicContact CG-CE1 3.97Å; Y1385-Y1408 HydrophobicContact CD1-CD1 4.11Å; Y1385-Y1408 HydrophobicContact CD1-CE1 4.33Å; Y1385-Y1408 AromaticContact CD2-CD1 3.33Å; Y1385-Y1408 HydrophobicContact CD2-CD1 3.33Å; Y1385-Y1408 AromaticContact CD2-CE1 3.72Å; Y1385-Y1408 HydrophobicContact CD2-CE1 3.72Å; Y1385-Y1408 HydrophobicContact CD2-CG 4.24Å; Y1385-Y1408 HydrophobicContact CE1-CD1 4.14Å; Y1385-Y1408 AromaticContact CE1-CE1 3.88Å; Y1385-Y1408 HydrophobicContact CE1-CE1 3.88Å; Y1385-Y1408 AromaticContact CE2-CD1 3.41Å; Y1385-Y1408 HydrophobicContact CE2-CD1 3.41Å; Y1385-Y1408 VanDerWaalsContact CE2-CD1 3.41Å; Y1385-Y1408 AromaticContact CE2-CE1 3.23Å; Y1385-Y1408 HydrophobicContact CE2-CE1 3.23Å; Y1385-Y1408 HydrophobicContact CE2-CG 4.46Å; Y1385-Y1408 AromaticContact CG-CD1 3.73Å; Y1385-Y1408 HydrophobicContact CG-CD1 3.73Å; Y1385-Y1408 HydrophobicContact CG-CE1 4.26Å; Y1385-Y1408 AromaticContact CZ-CD1 3.79Å; Y1385-Y1408 AromaticContact CZ-CE1 3.3Å; Y1385-Y1408 WeakPolarHBondContact OH-CE1 3.18Å; R1387-Y1408 HydrophobicContact CB-CD2 4.26Å; R1387-Y1408 HydrophobicContact CB-CE2 4.38Å; R1387-Y1408 HydrophobicContact CB-CG 4.47Å; R1387-Y1408 HydrophobicContact CG-CD2 3.88Å; R1387-Y1408 HydrophobicContact CG-CE2 3.89Å; E1402-Y1408 PolarHBondContact O-N 2.74Å; T1403-Y1408 WeakPolarHBondContact CA-O 3.38Å; T1403-Y1408 WeakPolarHBondContact CB-O 3.23Å; T1403-Y1408 PolarHBondContact N-O 2.99Å; T1403-Y1408 PolarHBondContact OG1-O 3.23Å; S1406-Y1408 VanDerWaalsContact O-CD2 3.28Å; S1406-Y1408 WeakPolarHBondContact O-CD2 3.49Å; S1406-Y1408 PolarHBondContact O-N 3.19Å; S1406-Y1408 WeakPolarHBondContact OG-CD2 3.2Å |
| 1409 | F | 86.8 | Confident | 91.6 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.009 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 141.8 | 170.9 | -60.9 | -103 | 0 | 0 | 0 | 108.8 | I1352 R1354 Y1385 Y1386 K1388 L1394 M1399 T1403 A1407 S1413 | I1352-F1409 HydrophobicContact CD1-CB 4.34Å; I1352-F1409 WeakPolarHBondContact CD1-O 3.46Å; I1352-F1409 HydrophobicContact CG2-CB 4.21Å; R1354-F1409 HydrophobicContact CB-CD1 3.53Å; R1354-F1409 HydrophobicContact CB-CE1 3.79Å; R1354-F1409 HydrophobicContact CB-CG 4.36Å; R1354-F1409 HydrophobicContact CG-CB 3.93Å; R1354-F1409 HydrophobicContact CG-CD1 3.47Å; R1354-F1409 VanDerWaalsContact CG-CD1 3.47Å; R1354-F1409 HydrophobicContact CG-CE1 4.19Å; R1354-F1409 HydrophobicContact CG-CG 3.83Å; R1354-F1409 VanDerWaalsContact NE-CD1 3.32Å; R1354-F1409 VanDerWaalsContact NE-CG 3.27Å; Y1385-F1409 CarbonylContact C-O 3.46Å; Y1385-F1409 WeakPolarHBondContact CA-O 2.88Å; Y1385-F1409 WeakPolarHBondContact CB-O 3.33Å; Y1386-F1409 HydrophobicContact CD1-CD2 4.03Å; Y1386-F1409 PolarHBondContact N-O 3.21Å; Y1386-F1409 PolarHBondContact O-N 2.96Å; K1388-F1409 HydrophobicContact CB-CD2 4.48Å; K1388-F1409 HydrophobicContact CB-CE2 3.82Å; L1394-F1409 HydrophobicContact CD2-CE1 4.39Å; L1394-F1409 HydrophobicContact CD2-CZ 3.77Å; M1399-F1409 HydrophobicContact CE-CE1 4.24Å; M1399-F1409 HydrophobicContact CE-CZ 3.97Å; T1403-F1409 HydrophobicContact CG2-CB 4.41Å; T1403-F1409 HydrophobicContact CG2-CD1 3.33Å; T1403-F1409 HydrophobicContact CG2-CD2 3.75Å; T1403-F1409 HydrophobicContact CG2-CE1 3.29Å; T1403-F1409 HydrophobicContact CG2-CE2 3.67Å; T1403-F1409 HydrophobicContact CG2-CG 3.56Å; T1403-F1409 HydrophobicContact CG2-CZ 3.43Å; T1403-F1409 VanDerWaalsContact CG2-CZ 3.43Å; A1407-F1409 WeakPolarHBondContact O-CD2 3.37Å; F1409-S1413 WeakPolarHBondContact CA-OG 3.25Å |
| 1410 | T | 90.2 | Very high | 91.7 | Very high | 9 Ų | 9 | 16 Ų | 16 | 6% | 0.055 | 10% | 0.098 | C | C | . | . | trans | -141.1 | 167.1 | 176.3 | 66.1 | 0 | 0 | 0 | 0 | 109.8 | E1402 K1412 S1413 D1414 | E1402-T1410 PolarHBondContact OE1-OG1 3.16Å; T1410-K1412 PolarHBondContact O-N 3.17Å; T1410-K1412 WeakPolarHBondContact OG1-CA 3.49Å; T1410-K1412 WeakPolarHBondContact OG1-CB 3.49Å; T1410-K1412 PolarHBondContact OG1-N 3.22Å; T1410-K1412 VanDerWaalsContact OG1-N 3.14Å; T1410-S1413 PolarHBondContact N-OG 3.43Å; T1410-S1413 PolarHBondContact O-N 2.83Å; T1410-S1413 PolarHBondContact O-OG 3.11Å; T1410-S1413 PolarHBondContact OG1-N 2.84Å; T1410-D1414 PolarHBondContact O-N 2.65Å | ||
| 1411 | T | 92.5 | Very high | 91.7 | Very high | 43 Ų | 43 | 16 Ų | 16 | 26% | 0.264 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -58.4 | -29.6 | 166 | 51.3 | 0 | 0 | 0 | 0 | 111.5 | A1347 I1352 S1413 D1414 V1415 | A1347-T1411 HydrophobicContact CB-CG2 3.74Å; I1352-T1411 HydrophobicContact CG1-CG2 4.43Å; T1411-S1413 VanDerWaalsContact C-N 3.34Å; T1411-D1414 PolarHBondContact O-N 3.46Å; T1411-V1415 WeakPolarHBondContact O-CG2 3.4Å; T1411-V1415 PolarHBondContact O-N 3.19Å |
| 1412 | K | 95.4 | Very high | 91.7 | Very high | 39 Ų | 39 | 16 Ų | 16 | 17% | 0.17 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -73.5 | -16.4 | 172.1 | -58.3 | -75.5 | -167.4 | 172.4 | 0 | 113.9 | T1410 W1416 P1476 R1479 L1480 T1481 E1484 | T1410-K1412 PolarHBondContact O-N 3.17Å; T1410-K1412 WeakPolarHBondContact OG1-CA 3.49Å; T1410-K1412 WeakPolarHBondContact OG1-CB 3.49Å; T1410-K1412 PolarHBondContact OG1-N 3.22Å; T1410-K1412 VanDerWaalsContact OG1-N 3.14Å; K1412-W1416 PolarHBondContact O-N 3.43Å; K1412-P1476 HydrophobicContact CB-CB 4.07Å; K1412-P1476 WeakPolarHBondContact CD-O 3.15Å; K1412-P1476 VanDerWaalsContact CG-O 3.24Å; K1412-P1476 WeakPolarHBondContact CG-O 3.4Å; K1412-R1479 HydrophobicContact CD-CB 4.35Å; K1412-R1479 PolarHBondContact NZ-O 3.34Å; K1412-R1479 VanDerWaalsContact O-CD 3.3Å; K1412-R1479 WeakPolarHBondContact O-CD 3.42Å; K1412-R1479 PolarHBondContact O-NH1 2.8Å; K1412-L1480 VanDerWaalsContact CD-O 3.23Å; K1412-L1480 WeakPolarHBondContact CD-O 3.13Å; K1412-L1480 PolarHBondContact NZ-O 3.38Å; K1412-T1481 VanDerWaalsContact NZ-CG2 3.28Å; K1412-E1484 IonicContact NZ-OE2 2.9Å |
| 1413 | S | 95.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 16 Ų | 16 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -82.5 | -35.9 | 169.5 | 70.2 | 0 | 0 | 0 | 0 | 110.9 | E1402 T1403 F1409 T1410 T1411 V1415 W1416 S1417 | E1402-S1413 WeakPolarHBondContact OE1-CB 3.36Å; T1403-S1413 WeakPolarHBondContact OG1-CB 2.27Å; F1409-S1413 WeakPolarHBondContact CA-OG 3.25Å; T1410-S1413 PolarHBondContact N-OG 3.43Å; T1410-S1413 PolarHBondContact O-N 2.83Å; T1410-S1413 PolarHBondContact O-OG 3.11Å; T1410-S1413 PolarHBondContact OG1-N 2.84Å; T1411-S1413 VanDerWaalsContact C-N 3.34Å; S1413-V1415 VanDerWaalsContact C-N 3.27Å; S1413-V1415 PolarHBondContact O-N 2.76Å; S1413-W1416 WeakPolarHBondContact O-CB 3.44Å; S1413-W1416 PolarHBondContact O-N 2.71Å; S1413-S1417 PolarHBondContact O-N 2.99Å; S1413-S1417 VanDerWaalsContact O-N 3.07Å; S1413-S1417 PolarHBondContact O-OG 3.39Å; S1413-S1417 VanDerWaalsContact O-OG 3.08Å |
| 1414 | D | 96.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.2 | -29.5 | 170.2 | -68 | -9.1 | 0 | 0 | 0 | 111.6 | M1343 I1352 H1353 R1354 T1410 T1411 S1417 Y1418 F1482 | M1343-D1414 HydrophobicContact CE-CB 3.65Å; I1352-D1414 WeakPolarHBondContact CA-OD2 3.43Å; I1352-D1414 VanDerWaalsContact CG2-CG 3.44Å; I1352-D1414 VanDerWaalsContact CG2-OD1 3.31Å; I1352-D1414 WeakPolarHBondContact CG2-OD1 3.33Å; I1352-D1414 WeakPolarHBondContact CG2-OD2 3.21Å; H1353-D1414 PolarHBondContact N-OD2 2.75Å; R1354-D1414 WeakPolarHBondContact CA-OD1 3.35Å; R1354-D1414 PolarHBondContact N-OD1 2.88Å; T1410-D1414 PolarHBondContact O-N 2.65Å; T1411-D1414 PolarHBondContact O-N 3.46Å; D1414-S1417 CarbonylContact O-C 3.55Å; D1414-S1417 WeakPolarHBondContact O-CB 3.39Å; D1414-S1417 PolarHBondContact O-N 2.76Å; D1414-Y1418 WeakPolarHBondContact O-CB 3.09Å; D1414-Y1418 PolarHBondContact O-N 2.75Å; D1414-F1482 HydrophobicContact CB-CE2 4.11Å; D1414-F1482 HydrophobicContact CB-CZ 4.2Å |
| 1415 | V | 97.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 14.8 Ų | 14.8 | 1% | 0.006 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 170 | 164.8 | 0 | 0 | 0 | 0 | 111.8 | T1411 S1413 S1417 Y1418 G1419 C1471 R1479 F1482 I1485 | T1411-V1415 WeakPolarHBondContact O-CG2 3.4Å; T1411-V1415 PolarHBondContact O-N 3.19Å; S1413-V1415 VanDerWaalsContact C-N 3.27Å; S1413-V1415 PolarHBondContact O-N 2.76Å; V1415-S1417 VanDerWaalsContact C-N 3.33Å; V1415-S1417 PolarHBondContact O-N 2.81Å; V1415-Y1418 WeakPolarHBondContact O-CB 3.27Å; V1415-Y1418 PolarHBondContact O-N 3Å; V1415-G1419 PolarHBondContact O-N 2.85Å; V1415-C1471 HydrophobicContact CG1-CB 3.99Å; V1415-C1471 WeakPolarHBondContact O-CB 3.4Å; V1415-R1479 HydrophobicContact CG1-CB 4.24Å; V1415-F1482 HydrophobicContact CB-CZ 4.33Å; V1415-F1482 HydrophobicContact CG2-CD1 4.28Å; V1415-F1482 HydrophobicContact CG2-CD2 3.78Å; V1415-F1482 HydrophobicContact CG2-CE1 4.05Å; V1415-F1482 HydrophobicContact CG2-CE2 3.51Å; V1415-F1482 HydrophobicContact CG2-CG 4.15Å; V1415-F1482 HydrophobicContact CG2-CZ 3.66Å; V1415-I1485 HydrophobicContact CG1-CD1 3.99Å; V1415-I1485 HydrophobicContact CG2-CD1 4.23Å |
| 1416 | W | 97.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 0% | 0.004 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.5 | -45.4 | 172.5 | 176 | -72.2 | 0 | 0 | 0 | 110.9 | M1399 A1400 P1401 K1412 S1413 Y1418 G1419 V1420 V1445 H1450 C1471 W1472 | M1399-W1416 PolarHBondContact O-NE1 2.82Å; M1399-W1416 VanDerWaalsContact O-NE1 3.08Å; A1400-W1416 HydrophobicContact CB-CB 3.66Å; A1400-W1416 HydrophobicContact CB-CD2 4.1Å; A1400-W1416 HydrophobicContact CB-CG 3.71Å; P1401-W1416 VanDerWaalsContact CD-CZ3 3.47Å; P1401-W1416 HydrophobicContact CG-CE3 4.33Å; P1401-W1416 HydrophobicContact CG-CH2 4.27Å; P1401-W1416 HydrophobicContact CG-CZ3 3.93Å; K1412-W1416 PolarHBondContact O-N 3.43Å; S1413-W1416 WeakPolarHBondContact O-CB 3.44Å; S1413-W1416 PolarHBondContact O-N 2.71Å; W1416-Y1418 VanDerWaalsContact C-N 3.31Å; W1416-Y1418 PolarHBondContact O-N 3.28Å; W1416-G1419 WeakPolarHBondContact O-CA 3.34Å; W1416-G1419 PolarHBondContact O-N 2.77Å; W1416-G1419 VanDerWaalsContact O-N 3.09Å; W1416-V1420 PolarHBondContact O-N 3.23Å; W1416-V1445 HydrophobicContact CH2-CG1 3.81Å; W1416-V1445 HydrophobicContact CZ2-CB 4.44Å; W1416-V1445 HydrophobicContact CZ2-CG1 3.42Å; W1416-V1445 VanDerWaalsContact CZ2-CG1 3.42Å; W1416-V1445 HydrophobicContact CZ2-CG2 4.2Å; W1416-H1450 HydrophobicContact CH2-CB 4.01Å; W1416-H1450 HydrophobicContact CZ2-CB 4.33Å; W1416-C1471 WeakPolarHBondContact CA-O 3.16Å; W1416-W1472 AromaticContact CD2-CD1 3.7Å; W1416-W1472 AromaticContact CE2-CD1 3.83Å; W1416-W1472 HydrophobicContact CE3-CB 4.14Å; W1416-W1472 HydrophobicContact CE3-CG 4.48Å; W1416-W1472 HydrophobicContact CH2-CB 4.17Å; W1416-W1472 HydrophobicContact CZ3-CB 3.9Å; W1416-W1472 WeakPolarHBondContact CZ3-O 3.43Å; W1416-W1472 PolarHBondContact O-NE1 3.21Å |
| 1417 | S | 97.4 | Very high | 92.1 | Very high | 5 Ų | 5 | 9.7 Ų | 9.7 | 4% | 0.035 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -59.5 | -39.6 | 175.3 | -51.6 | 0 | 0 | 0 | 0 | 112.3 | L1356 W1398 S1413 D1414 V1415 V1420 V1421 | L1356-S1417 WeakPolarHBondContact O-CB 3.38Å; W1398-S1417 VanDerWaalsContact O-CA 3.28Å; W1398-S1417 WeakPolarHBondContact O-CA 3.43Å; W1398-S1417 WeakPolarHBondContact O-CB 3.48Å; W1398-S1417 PolarHBondContact O-OG 3.41Å; S1413-S1417 PolarHBondContact O-N 2.99Å; S1413-S1417 VanDerWaalsContact O-N 3.07Å; S1413-S1417 PolarHBondContact O-OG 3.39Å; S1413-S1417 VanDerWaalsContact O-OG 3.08Å; D1414-S1417 CarbonylContact O-C 3.55Å; D1414-S1417 WeakPolarHBondContact O-CB 3.39Å; D1414-S1417 PolarHBondContact O-N 2.76Å; V1415-S1417 VanDerWaalsContact C-N 3.33Å; V1415-S1417 PolarHBondContact O-N 2.81Å; S1417-V1420 CarbonylContact O-C 3.54Å; S1417-V1420 WeakPolarHBondContact O-CA 3.42Å; S1417-V1420 WeakPolarHBondContact O-CB 3.15Å; S1417-V1420 PolarHBondContact O-N 2.86Å; S1417-V1420 VanDerWaalsContact O-N 3.09Å; S1417-V1421 WeakPolarHBondContact O-CG2 2.95Å; S1417-V1421 PolarHBondContact O-N 2.93Å |
| 1418 | Y | 98 | Very high | 92.3 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -63.1 | -39.6 | 172.9 | 171.7 | -93.2 | 0 | 0 | 0 | 112.1 | A1336 L1339 A1340 L1356 D1414 V1415 W1416 V1420 V1421 L1422 F1482 I1485 | A1336-Y1418 PolarHBondContact O-OH 3.08Å; L1339-Y1418 HydrophobicContact CB-CD2 4.36Å; L1339-Y1418 HydrophobicContact CB-CE2 4.03Å; A1340-Y1418 HydrophobicContact CB-CE2 3.94Å; L1356-Y1418 HydrophobicContact CD2-CD2 4.42Å; D1414-Y1418 WeakPolarHBondContact O-CB 3.09Å; D1414-Y1418 PolarHBondContact O-N 2.75Å; V1415-Y1418 WeakPolarHBondContact O-CB 3.27Å; V1415-Y1418 PolarHBondContact O-N 3Å; W1416-Y1418 VanDerWaalsContact C-N 3.31Å; W1416-Y1418 PolarHBondContact O-N 3.28Å; Y1418-V1420 VanDerWaalsContact C-N 3.28Å; Y1418-V1420 PolarHBondContact O-N 2.91Å; Y1418-V1421 CarbonylContact O-C 3.6Å; Y1418-V1421 PolarHBondContact O-N 2.71Å; Y1418-V1421 VanDerWaalsContact O-N 3.08Å; Y1418-L1422 HydrophobicContact CD1-CD1 4.23Å; Y1418-L1422 HydrophobicContact CD1-CG 4.27Å; Y1418-L1422 HydrophobicContact CE1-CD1 3.55Å; Y1418-L1422 HydrophobicContact CE1-CD2 4.25Å; Y1418-L1422 HydrophobicContact CE1-CG 3.81Å; Y1418-L1422 HydrophobicContact CE2-CD2 4.37Å; Y1418-L1422 PolarHBondContact O-N 3.44Å; Y1418-F1482 HydrophobicContact CD1-CE1 4.26Å; Y1418-F1482 AromaticContact CD2-CE1 3.96Å; Y1418-F1482 HydrophobicContact CD2-CE1 3.96Å; Y1418-F1482 AromaticContact CG-CE1 3.7Å; Y1418-F1482 HydrophobicContact CG-CE1 3.7Å; Y1418-I1485 HydrophobicContact CD1-CD1 4.04Å; Y1418-I1485 HydrophobicContact CE1-CD1 4.09Å; Y1418-I1485 HydrophobicContact CE1-CG2 3.7Å |
| 1419 | G | 96.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -56.8 | -42.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1415 W1416 L1422 W1423 W1472 | V1415-G1419 PolarHBondContact O-N 2.85Å; W1416-G1419 WeakPolarHBondContact O-CA 3.34Å; W1416-G1419 PolarHBondContact O-N 2.77Å; W1416-G1419 VanDerWaalsContact O-N 3.09Å; G1419-L1422 PolarHBondContact O-N 3.26Å; G1419-W1423 PolarHBondContact O-N 2.94Å; G1419-W1472 VanDerWaalsContact O-CZ2 3.24Å; G1419-W1472 WeakPolarHBondContact O-CZ2 3.39Å |
| 1420 | V | 96.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64.9 | -36.4 | 173 | -177.9 | 0 | 0 | 0 | 0 | 112 | W1398 W1416 S1417 Y1418 W1423 E1424 P1432 L1451 | W1398-V1420 VanDerWaalsContact CD1-CG1 3.41Å; W1398-V1420 HydrophobicContact CG-CG1 4.03Å; W1416-V1420 PolarHBondContact O-N 3.23Å; S1417-V1420 CarbonylContact O-C 3.54Å; S1417-V1420 WeakPolarHBondContact O-CA 3.42Å; S1417-V1420 WeakPolarHBondContact O-CB 3.15Å; S1417-V1420 PolarHBondContact O-N 2.86Å; S1417-V1420 VanDerWaalsContact O-N 3.09Å; Y1418-V1420 VanDerWaalsContact C-N 3.28Å; Y1418-V1420 PolarHBondContact O-N 2.91Å; V1420-W1423 CarbonylContact O-C 3.55Å; V1420-W1423 WeakPolarHBondContact O-CB 3.23Å; V1420-W1423 PolarHBondContact O-N 3.48Å; V1420-E1424 WeakPolarHBondContact O-CG 2.24Å; V1420-E1424 PolarHBondContact O-N 3.17Å; V1420-P1432 HydrophobicContact CG1-CB 3.82Å; V1420-P1432 HydrophobicContact CG1-CG 3.57Å; V1420-L1451 HydrophobicContact CB-CD1 4.25Å; V1420-L1451 HydrophobicContact CG1-CD1 3.94Å; V1420-L1451 HydrophobicContact CG2-CD1 3.88Å |
| 1421 | V | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -68 | -36.9 | 174 | 178.8 | 0 | 0 | 0 | 0 | 112.5 | L1339 L1356 A1357 A1358 S1417 Y1418 W1423 E1424 I1425 | L1339-V1421 HydrophobicContact CD1-CG1 3.67Å; L1356-V1421 HydrophobicContact CG-CG2 4.05Å; A1357-V1421 VanDerWaalsContact CA-CG2 3.44Å; A1358-V1421 HydrophobicContact CB-CG1 4.36Å; S1417-V1421 WeakPolarHBondContact O-CG2 2.95Å; S1417-V1421 PolarHBondContact O-N 2.93Å; Y1418-V1421 CarbonylContact O-C 3.6Å; Y1418-V1421 PolarHBondContact O-N 2.71Å; Y1418-V1421 VanDerWaalsContact O-N 3.08Å; V1421-W1423 VanDerWaalsContact C-N 3.28Å; V1421-W1423 PolarHBondContact O-N 3.35Å; V1421-E1424 PolarHBondContact O-N 2.88Å; V1421-I1425 HydrophobicContact CG1-CD1 4.34Å; V1421-I1425 WeakPolarHBondContact O-CG1 3.46Å; V1421-I1425 PolarHBondContact O-N 2.86Å |
| 1422 | L | 94.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 12.2 Ų | 12.2 | 1% | 0.005 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.2 | -38.3 | 170.9 | -68.7 | -172 | 0 | 0 | 0 | 111.3 | A1336 Y1418 G1419 I1425 A1426 L1464 L1467 M1468 | A1336-L1422 HydrophobicContact CB-CD2 3.59Å; Y1418-L1422 HydrophobicContact CD1-CD1 4.23Å; Y1418-L1422 HydrophobicContact CD1-CG 4.27Å; Y1418-L1422 HydrophobicContact CE1-CD1 3.55Å; Y1418-L1422 HydrophobicContact CE1-CD2 4.25Å; Y1418-L1422 HydrophobicContact CE1-CG 3.81Å; Y1418-L1422 HydrophobicContact CE2-CD2 4.37Å; Y1418-L1422 PolarHBondContact O-N 3.44Å; G1419-L1422 PolarHBondContact O-N 3.26Å; L1422-I1425 PolarHBondContact O-N 3.18Å; L1422-A1426 PolarHBondContact O-N 2.8Å; L1422-L1464 HydrophobicContact CD1-CD2 4.5Å; L1422-L1464 HydrophobicContact CD2-CD2 4.44Å; L1422-L1467 HydrophobicContact CD1-CB 4.09Å; L1422-M1468 HydrophobicContact CB-CE 4Å; L1422-M1468 HydrophobicContact CB-CG 3.71Å; L1422-M1468 HydrophobicContact CB-SD 4.46Å; L1422-M1468 HydrophobicContact CD1-CG 4.32Å; L1422-M1468 WeakPolarHBondContact O-CE 3.3Å |
| 1423 | W | 92.3 | Very high | 92.2 | Very high | 19 Ų | 19 | 10.8 Ų | 10.8 | 7% | 0.072 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -68.6 | -40.4 | 173.3 | -173.2 | 93.9 | 0 | 0 | 0 | 112.2 | G1419 V1420 V1421 I1425 A1426 T1427 P1432 L1451 N1452 M1468 W1472 | G1419-W1423 PolarHBondContact O-N 2.94Å; V1420-W1423 CarbonylContact O-C 3.55Å; V1420-W1423 WeakPolarHBondContact O-CB 3.23Å; V1420-W1423 PolarHBondContact O-N 3.48Å; V1421-W1423 VanDerWaalsContact C-N 3.28Å; V1421-W1423 PolarHBondContact O-N 3.35Å; W1423-I1425 VanDerWaalsContact C-N 3.3Å; W1423-I1425 PolarHBondContact O-N 2.58Å; W1423-A1426 CarbonylContact O-C 3.51Å; W1423-A1426 WeakPolarHBondContact O-CA 3.3Å; W1423-A1426 VanDerWaalsContact O-CB 3.27Å; W1423-A1426 WeakPolarHBondContact O-CB 3.4Å; W1423-A1426 PolarHBondContact O-N 3.19Å; W1423-T1427 HydrophobicContact CD2-CG2 3.93Å; W1423-T1427 HydrophobicContact CE3-CG2 4.32Å; W1423-T1427 HydrophobicContact CG-CG2 4.47Å; W1423-T1427 HydrophobicContact CH2-CG2 4.22Å; W1423-T1427 HydrophobicContact CZ2-CG2 3.83Å; W1423-T1427 HydrophobicContact CZ3-CG2 4.44Å; W1423-T1427 WeakPolarHBondContact CZ3-OG1 2.71Å; W1423-T1427 PolarHBondContact O-N 2.72Å; W1423-T1427 PolarHBondContact O-OG1 3.18Å; W1423-P1432 HydrophobicContact CE3-CB 4.29Å; W1423-P1432 HydrophobicContact CE3-CG 4.27Å; W1423-P1432 HydrophobicContact CZ3-CB 4.01Å; W1423-P1432 HydrophobicContact CZ3-CG 4.05Å; W1423-L1451 HydrophobicContact CB-CD1 4Å; W1423-L1451 HydrophobicContact CD2-CB 4.37Å; W1423-L1451 HydrophobicContact CD2-CD1 3.73Å; W1423-L1451 HydrophobicContact CD2-CD2 4.35Å; W1423-L1451 HydrophobicContact CD2-CG 4.36Å; W1423-L1451 HydrophobicContact CE3-CD1 3.98Å; W1423-L1451 HydrophobicContact CG-CB 4.22Å; W1423-L1451 HydrophobicContact CG-CD1 3.75Å; W1423-L1451 HydrophobicContact CG-CG 4.5Å; W1423-L1451 HydrophobicContact CH2-CD2 4.36Å; W1423-L1451 HydrophobicContact CZ2-CD2 4.16Å; W1423-N1452 PolarHBondContact NE1-O 2.74Å; W1423-M1468 HydrophobicContact CB-SD 4.18Å; W1423-W1472 HydrophobicContact CB-CH2 3.85Å; W1423-W1472 HydrophobicContact CB-CZ2 3.85Å; W1423-W1472 AromaticContact CD1-CH2 3.82Å; W1423-W1472 HydrophobicContact CG-CH2 4.09Å; W1423-W1472 HydrophobicContact CG-CZ2 4.42Å |
| 1424 | E | 93 | Very high | 91.5 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 1% | 0.014 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.9 | -41.8 | 171.9 | -75 | 179 | 111.1 | 0 | 0 | 111.1 | A1358 W1398 V1420 V1421 A1426 T1427 F1428 A1429 P1432 | A1358-E1424 HydrophobicContact CB-CB 3.82Å; A1358-E1424 HydrophobicContact CB-CG 4.29Å; A1358-E1424 WeakPolarHBondContact CB-OE2 2.25Å; A1358-E1424 PolarHBondContact N-OE2 3.01Å; W1398-E1424 WeakPolarHBondContact CZ2-OE1 2.24Å; W1398-E1424 PolarHBondContact NE1-OE1 3.03Å; W1398-E1424 PolarHBondContact NE1-OE2 2.84Å; V1420-E1424 WeakPolarHBondContact O-CG 2.24Å; V1420-E1424 PolarHBondContact O-N 3.17Å; V1421-E1424 PolarHBondContact O-N 2.88Å; E1424-A1426 VanDerWaalsContact C-N 3.32Å; E1424-A1426 PolarHBondContact O-N 2.76Å; E1424-T1427 PolarHBondContact O-N 2.75Å; E1424-F1428 PolarHBondContact O-N 2.92Å; E1424-A1429 HydrophobicContact CB-CB 4.41Å; E1424-A1429 WeakPolarHBondContact O-CA 3.36Å; E1424-A1429 PolarHBondContact O-N 3.1Å; E1424-P1432 HydrophobicContact CG-CG 4.17Å |
| 1425 | I | 89.9 | Confident | 90.7 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 170.8 | -67.4 | 165.2 | 0 | 0 | 0 | 110.4 | L1309 L1313 I1327 A1332 W1335 V1421 L1422 W1423 T1427 | L1309-I1425 HydrophobicContact CD2-CD1 4.16Å; L1309-I1425 HydrophobicContact CD2-CG1 4.07Å; L1313-I1425 HydrophobicContact CD1-CG1 4.16Å; I1327-I1425 HydrophobicContact CD1-CG2 4.04Å; I1327-I1425 WeakPolarHBondContact CD1-O 3.22Å; A1332-I1425 HydrophobicContact CB-CG2 4.17Å; W1335-I1425 HydrophobicContact CB-CD1 4.21Å; W1335-I1425 HydrophobicContact CE3-CD1 4.46Å; W1335-I1425 HydrophobicContact CE3-CG1 4.43Å; W1335-I1425 HydrophobicContact CE3-CG2 4.21Å; V1421-I1425 HydrophobicContact CG1-CD1 4.34Å; V1421-I1425 WeakPolarHBondContact O-CG1 3.46Å; V1421-I1425 PolarHBondContact O-N 2.86Å; L1422-I1425 PolarHBondContact O-N 3.18Å; W1423-I1425 VanDerWaalsContact C-N 3.3Å; W1423-I1425 PolarHBondContact O-N 2.58Å; I1425-T1427 VanDerWaalsContact C-N 3.33Å; I1425-T1427 PolarHBondContact O-N 2.9Å |
| 1426 | A | 83.7 | Confident | 90.1 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.3 | -31.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L1422 W1423 E1424 P1454 T1458 L1460 M1468 | L1422-A1426 PolarHBondContact O-N 2.8Å; W1423-A1426 CarbonylContact O-C 3.51Å; W1423-A1426 WeakPolarHBondContact O-CA 3.3Å; W1423-A1426 VanDerWaalsContact O-CB 3.27Å; W1423-A1426 WeakPolarHBondContact O-CB 3.4Å; W1423-A1426 PolarHBondContact O-N 3.19Å; E1424-A1426 VanDerWaalsContact C-N 3.32Å; E1424-A1426 PolarHBondContact O-N 2.76Å; A1426-P1454 HydrophobicContact CB-CG 4.24Å; A1426-T1458 WeakPolarHBondContact O-CB 3.36Å; A1426-T1458 VanDerWaalsContact O-CG2 3.22Å; A1426-T1458 WeakPolarHBondContact O-CG2 3.24Å; A1426-T1458 PolarHBondContact O-OG1 2.92Å; A1426-L1460 HydrophobicContact CB-CD1 3.31Å; A1426-M1468 HydrophobicContact CB-CE 3.96Å |
| 1427 | T | 82.6 | Confident | 89.1 | Confident | 19 Ų | 19 | 23.3 Ų | 23.3 | 12% | 0.117 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 29.5 | -171.9 | 65.4 | 0 | 0 | 0 | 0 | 112.8 | W1423 E1424 I1425 A1429 S1430 P1454 | W1423-T1427 HydrophobicContact CD2-CG2 3.93Å; W1423-T1427 HydrophobicContact CE3-CG2 4.32Å; W1423-T1427 HydrophobicContact CG-CG2 4.47Å; W1423-T1427 HydrophobicContact CH2-CG2 4.22Å; W1423-T1427 HydrophobicContact CZ2-CG2 3.83Å; W1423-T1427 HydrophobicContact CZ3-CG2 4.44Å; W1423-T1427 WeakPolarHBondContact CZ3-OG1 2.71Å; W1423-T1427 PolarHBondContact O-N 2.72Å; W1423-T1427 PolarHBondContact O-OG1 3.18Å; E1424-T1427 PolarHBondContact O-N 2.75Å; I1425-T1427 VanDerWaalsContact C-N 3.33Å; I1425-T1427 PolarHBondContact O-N 2.9Å; T1427-A1429 PolarHBondContact O-N 2.79Å; T1427-A1429 VanDerWaalsContact O-N 3.09Å; T1427-S1430 VanDerWaalsContact O-CB 3.31Å; T1427-S1430 WeakPolarHBondContact O-CB 3.45Å; T1427-S1430 PolarHBondContact O-N 2.88Å; T1427-S1430 PolarHBondContact O-OG 3.28Å; T1427-P1454 HydrophobicContact CG2-CB 4.25Å; T1427-P1454 HydrophobicContact CG2-CG 4.22Å |
| 1428 | F | 85.3 | Confident | 88.2 | Confident | 14 Ų | 14 | 27 Ų | 27 | 6% | 0.061 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.8 | 39.8 | -179.6 | -67.1 | -82.1 | 0 | 0 | 0 | 114.2 | L1313 R1314 Q1316 M1317 G1325 I1327 E1424 S1430 T1458 | L1313-F1428 WeakPolarHBondContact O-CD1 3.18Å; R1314-F1428 WeakPolarHBondContact CG-O 3.35Å; Q1316-F1428 HydrophobicContact CB-CD1 4.45Å; Q1316-F1428 HydrophobicContact CB-CE1 4.16Å; M1317-F1428 HydrophobicContact CB-CB 4.17Å; M1317-F1428 HydrophobicContact CB-CD1 4.28Å; M1317-F1428 HydrophobicContact CB-CG 4.18Å; M1317-F1428 HydrophobicContact CG-CB 4.15Å; M1317-F1428 HydrophobicContact CG-CD2 4.29Å; M1317-F1428 HydrophobicContact CG-CG 4.14Å; M1317-F1428 HydrophobicContact SD-CB 3.96Å; G1325-F1428 WeakPolarHBondContact O-CE2 3.23Å; G1325-F1428 VanDerWaalsContact O-CZ 3.3Å; G1325-F1428 WeakPolarHBondContact O-CZ 3.35Å; I1327-F1428 HydrophobicContact CD1-CD1 4.25Å; I1327-F1428 HydrophobicContact CD1-CE1 3.97Å; I1327-F1428 HydrophobicContact CD1-CZ 4.38Å; I1327-F1428 HydrophobicContact CG1-CD1 4.28Å; I1327-F1428 HydrophobicContact CG1-CE1 3.57Å; I1327-F1428 HydrophobicContact CG1-CZ 3.98Å; E1424-F1428 PolarHBondContact O-N 2.92Å; F1428-S1430 VanDerWaalsContact C-N 3.3Å; F1428-S1430 PolarHBondContact O-N 2.86Å; F1428-T1458 HydrophobicContact CD2-CG2 4.26Å; F1428-T1458 HydrophobicContact CE2-CG2 3.67Å |
| 1429 | A | 88.4 | Confident | 87.4 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 39.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115 | A1310 L1313 R1314 E1424 T1427 | A1310-A1429 VanDerWaalsContact CA-CB 3.49Å; A1310-A1429 HydrophobicContact CB-CB 3.59Å; L1313-A1429 HydrophobicContact CB-CB 4.08Å; L1313-A1429 HydrophobicContact CD1-CB 3.98Å; R1314-A1429 HydrophobicContact CG-CB 4.41Å; R1314-A1429 VanDerWaalsContact CZ-O 3.28Å; R1314-A1429 PolarHBondContact NE-O 3.22Å; R1314-A1429 PolarHBondContact NH2-O 2.92Å; E1424-A1429 HydrophobicContact CB-CB 4.41Å; E1424-A1429 WeakPolarHBondContact O-CA 3.36Å; E1424-A1429 PolarHBondContact O-N 3.1Å; T1427-A1429 PolarHBondContact O-N 2.79Å; T1427-A1429 VanDerWaalsContact O-N 3.09Å |
| 1430 | S | 85.3 | Confident | 86.9 | Confident | 57 Ų | 57 | 35.9 Ų | 35.9 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -49 | 154.3 | 155.8 | -64.9 | 0 | 0 | 0 | 0 | 111.6 | T1427 F1428 P1432 | T1427-S1430 VanDerWaalsContact O-CB 3.31Å; T1427-S1430 WeakPolarHBondContact O-CB 3.45Å; T1427-S1430 PolarHBondContact O-N 2.88Å; T1427-S1430 PolarHBondContact O-OG 3.28Å; F1428-S1430 VanDerWaalsContact C-N 3.3Å; F1428-S1430 PolarHBondContact O-N 2.86Å; S1430-P1432 WeakPolarHBondContact O-CD 3.49Å |
| 1431 | L | 86.9 | Confident | 86.4 | Confident | 88 Ų | 88 | 35.9 Ų | 35.9 | 46% | 0.461 | 21% | 0.213 | S | C | . | . | P | Polyproline II helix | trans | -68.2 | 123.1 | 178.2 | -176.4 | 67.7 | 0 | 0 | 0 | 110.4 | Y1433 P1434 | L1431-Y1433 PolarHBondContact O-N 2.83Å; L1431-P1434 WeakPolarHBondContact O-CD 3.44Å |
| 1432 | P | 91.2 | Very high | 86 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -64.8 | 136 | 177 | -18.7 | 30.7 | 0 | 0 | 0 | 111.3 | R1397 W1398 V1420 W1423 E1424 S1430 L1451 | R1397-P1432 HydrophobicContact CB-CB 4.22Å; R1397-P1432 WeakPolarHBondContact CD-O 3.01Å; R1397-P1432 PolarHBondContact NH1-O 2.84Å; W1398-P1432 HydrophobicContact CZ2-CG 4.05Å; V1420-P1432 HydrophobicContact CG1-CB 3.82Å; V1420-P1432 HydrophobicContact CG1-CG 3.57Å; W1423-P1432 HydrophobicContact CE3-CB 4.29Å; W1423-P1432 HydrophobicContact CE3-CG 4.27Å; W1423-P1432 HydrophobicContact CZ3-CB 4.01Å; W1423-P1432 HydrophobicContact CZ3-CG 4.05Å; E1424-P1432 HydrophobicContact CG-CG 4.17Å; S1430-P1432 WeakPolarHBondContact O-CD 3.49Å; P1432-L1451 HydrophobicContact CB-CD1 4.02Å; P1432-L1451 HydrophobicContact CB-CD2 3.88Å |
| 1433 | Y | 91 | Very high | 85.7 | Confident | 10 Ų | 10 | 44.6 Ų | 44.6 | 4% | 0.039 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 56.3 | 60.8 | -171.3 | -48.1 | -87 | 0 | 0 | 0 | 112.3 | R1397 L1431 L1436 V1441 F1444 V1445 L1451 | R1397-Y1433 HydrophobicContact CB-CD2 4.41Å; R1397-Y1433 PolarHBondContact NH1-O 2.81Å; R1397-Y1433 WeakPolarHBondContact O-CE2 2.24Å; L1431-Y1433 PolarHBondContact O-N 2.83Å; Y1433-L1436 PolarHBondContact O-N 2.03Å; Y1433-V1441 VanDerWaalsContact CB-CG2 3.41Å; Y1433-V1441 HydrophobicContact CD2-CG1 3.77Å; Y1433-V1441 HydrophobicContact CD2-CG2 4.07Å; Y1433-V1441 HydrophobicContact CE2-CG1 4.1Å; Y1433-V1441 HydrophobicContact CG-CG1 4.16Å; Y1433-V1441 HydrophobicContact CG-CG2 3.8Å; Y1433-F1444 AromaticContact CD1-CD1 3.82Å; Y1433-F1444 HydrophobicContact CD1-CD1 3.82Å; Y1433-F1444 AromaticContact CD1-CE1 3.89Å; Y1433-F1444 HydrophobicContact CD1-CE1 3.89Å; Y1433-F1444 AromaticContact CE1-CD1 3.77Å; Y1433-F1444 HydrophobicContact CE1-CD1 3.77Å; Y1433-F1444 AromaticContact CE1-CE1 3.74Å; Y1433-F1444 HydrophobicContact CE1-CE1 3.74Å; Y1433-V1445 HydrophobicContact CE1-CG2 3.86Å; Y1433-V1445 HydrophobicContact CE2-CG2 4.2Å; Y1433-V1445 WeakPolarHBondContact OH-CG2 3.34Å; Y1433-L1451 HydrophobicContact CD1-CD2 3.71Å; Y1433-L1451 HydrophobicContact CD1-CG 4.36Å; Y1433-L1451 HydrophobicContact CD2-CD2 3.7Å; Y1433-L1451 HydrophobicContact CD2-CG 4.36Å; Y1433-L1451 HydrophobicContact CE1-CD2 3.75Å; Y1433-L1451 HydrophobicContact CE1-CG 3.88Å; Y1433-L1451 HydrophobicContact CE2-CD1 4.37Å; Y1433-L1451 HydrophobicContact CE2-CD2 3.73Å; Y1433-L1451 HydrophobicContact CE2-CG 3.88Å; Y1433-L1451 HydrophobicContact CG-CD2 3.67Å |
| 1434 | P | 80.8 | Confident | 85.7 | Confident | 89 Ų | 89 | 47.6 Ų | 47.6 | 58% | 0.578 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 150.2 | -179.8 | 29.6 | -34.4 | 0 | 0 | 0 | 110.6 | L1431 L1436 | L1431-P1434 WeakPolarHBondContact O-CD 3.44Å; P1434-L1436 PolarHBondContact O-N 3.37Å; P1434-L1436 VanDerWaalsContact O-N 3.09Å |
| 1435 | G | 81 | Confident | 85.7 | Confident | 84 Ų | 84 | 47.5 Ų | 47.5 | 87% | 0.866 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -39 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 1436 | L | 84.6 | Confident | 85.8 | Confident | 53 Ų | 53 | 49.1 Ų | 49.1 | 28% | 0.277 | 28% | 0.277 | S | S | . | . | trans | -75.6 | 139.3 | -179.8 | -57.7 | -170.9 | 0 | 0 | 0 | 112.5 | R1397 Y1433 P1434 E1440 V1441 F1444 | R1397-L1436 PolarHBondContact NH1-O 3.35Å; R1397-L1436 PolarHBondContact NH2-O 2.87Å; Y1433-L1436 PolarHBondContact O-N 2.03Å; P1434-L1436 PolarHBondContact O-N 3.37Å; P1434-L1436 VanDerWaalsContact O-N 3.09Å; L1436-E1440 HydrophobicContact CB-CB 4.02Å; L1436-E1440 HydrophobicContact CD2-CB 4.27Å; L1436-V1441 HydrophobicContact CB-CG2 3.74Å; L1436-V1441 HydrophobicContact CD1-CG2 4.35Å; L1436-F1444 HydrophobicContact CD1-CB 4.2Å; L1436-F1444 HydrophobicContact CD1-CD1 4.29Å; L1436-F1444 HydrophobicContact CD1-CG 4.21Å | ||
| 1437 | S | 75.6 | Confident | 86.1 | Confident | 43 Ų | 43 | 55 Ų | 55 | 30% | 0.301 | 31% | 0.308 | S | S | . | . | trans | -68.7 | 171.1 | 167.3 | 66.3 | 0 | 0 | 0 | 0 | 112.5 | E1439 E1440 V1441 | S1437-E1439 VanDerWaalsContact C-N 3.27Å; S1437-E1439 PolarHBondContact O-N 3.17Å; S1437-E1440 WeakPolarHBondContact CB-OE2 3.47Å; S1437-E1440 PolarHBondContact N-OE2 3.04Å; S1437-E1440 PolarHBondContact O-N 3.22Å; S1437-E1440 WeakPolarHBondContact OG-CG 3.43Å; S1437-E1440 PolarHBondContact OG-N 3.32Å; S1437-E1440 VanDerWaalsContact OG-N 3.1Å; S1437-E1440 PolarHBondContact OG-OE2 2.83Å; S1437-V1441 WeakPolarHBondContact O-CB 3.49Å; S1437-V1441 VanDerWaalsContact O-CG2 3.23Å; S1437-V1441 WeakPolarHBondContact O-CG2 3.15Å; S1437-V1441 PolarHBondContact O-N 3.49Å | ||
| 1438 | H | 80.3 | Confident | 86.4 | Confident | 83 Ų | 83 | 55.8 Ų | 55.8 | 38% | 0.384 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65 | -34.3 | 175.5 | -72.6 | 158.9 | 0 | 0 | 0 | 112.3 | V1396 R1397 M1442 | V1396-H1438 HydrophobicContact CB-CB 4.23Å; V1396-H1438 HydrophobicContact CG1-CB 3.99Å; V1396-H1438 WeakPolarHBondContact CG1-O 2.99Å; V1396-H1438 HydrophobicContact CG2-CB 4.33Å; R1397-H1438 PolarHBondContact NE-CD2 3.17Å; R1397-H1438 PolarHBondContact NE-NE2 3.12Å; R1397-H1438 VanDerWaalsContact NE-NE2 3.19Å; H1438-M1442 WeakPolarHBondContact O-CB 3.47Å; H1438-M1442 VanDerWaalsContact O-CG 3.31Å; H1438-M1442 WeakPolarHBondContact O-CG 3.14Å; H1438-M1442 PolarHBondContact O-N 3Å |
| 1439 | E | 79.3 | Confident | 86.6 | Confident | 88 Ų | 88 | 55.8 Ų | 55.8 | 41% | 0.411 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.4 | -45.1 | 175.2 | -73.7 | 65.6 | -158.9 | 0 | 0 | 111.6 | R786 S1437 M1442 K1443 | R786-E1439 IonicContact CZ-OE1 3.23Å; R786-E1439 IonicContact NH1-OE1 3.54Å; R786-E1439 PolarHBondContact NH1-OE1 3.33Å; S1437-E1439 VanDerWaalsContact C-N 3.27Å; S1437-E1439 PolarHBondContact O-N 3.17Å; E1439-M1442 HydrophobicContact CB-CE 4.49Å; E1439-M1442 HydrophobicContact CG-CE 4.14Å; E1439-M1442 WeakPolarHBondContact O-CB 3.42Å; E1439-M1442 PolarHBondContact O-N 3.44Å; E1439-K1443 PolarHBondContact O-N 2.93Å |
| 1440 | E | 86.3 | Confident | 86.8 | Confident | 97 Ų | 97 | 58.9 Ų | 58.9 | 45% | 0.453 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.4 | -37.2 | 174.1 | -71.2 | 160.5 | 116.6 | 0 | 0 | 112.4 | L1436 S1437 K1443 F1444 | L1436-E1440 HydrophobicContact CB-CB 4.02Å; L1436-E1440 HydrophobicContact CD2-CB 4.27Å; S1437-E1440 WeakPolarHBondContact CB-OE2 3.47Å; S1437-E1440 PolarHBondContact N-OE2 3.04Å; S1437-E1440 PolarHBondContact O-N 3.22Å; S1437-E1440 WeakPolarHBondContact OG-CG 3.43Å; S1437-E1440 PolarHBondContact OG-N 3.32Å; S1437-E1440 VanDerWaalsContact OG-N 3.1Å; S1437-E1440 PolarHBondContact OG-OE2 2.83Å; E1440-K1443 PolarHBondContact O-N 2.84Å; E1440-F1444 WeakPolarHBondContact O-CB 3.34Å; E1440-F1444 PolarHBondContact O-N 2.9Å |
| 1441 | V | 86.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 172.1 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | V1396 Y1433 L1436 S1437 K1443 V1445 | V1396-V1441 HydrophobicContact CG1-CB 4.48Å; V1396-V1441 HydrophobicContact CG1-CG1 4.23Å; Y1433-V1441 VanDerWaalsContact CB-CG2 3.41Å; Y1433-V1441 HydrophobicContact CD2-CG1 3.77Å; Y1433-V1441 HydrophobicContact CD2-CG2 4.07Å; Y1433-V1441 HydrophobicContact CE2-CG1 4.1Å; Y1433-V1441 HydrophobicContact CG-CG1 4.16Å; Y1433-V1441 HydrophobicContact CG-CG2 3.8Å; L1436-V1441 HydrophobicContact CB-CG2 3.74Å; L1436-V1441 HydrophobicContact CD1-CG2 4.35Å; S1437-V1441 WeakPolarHBondContact O-CB 3.49Å; S1437-V1441 VanDerWaalsContact O-CG2 3.23Å; S1437-V1441 WeakPolarHBondContact O-CG2 3.15Å; S1437-V1441 PolarHBondContact O-N 3.49Å; V1441-K1443 VanDerWaalsContact C-N 3.33Å; V1441-K1443 PolarHBondContact O-N 2.87Å; V1441-V1445 HydrophobicContact CG1-CG2 4.13Å; V1441-V1445 VanDerWaalsContact O-CB 3.24Å; V1441-V1445 WeakPolarHBondContact O-CB 3.32Å; V1441-V1445 VanDerWaalsContact O-CG2 3.3Å; V1441-V1445 WeakPolarHBondContact O-CG2 3.14Å; V1441-V1445 PolarHBondContact O-N 2.91Å |
| 1442 | M | 88.3 | Confident | 86.9 | Confident | 63 Ų | 63 | 58.5 Ų | 58.5 | 31% | 0.31 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.2 | -45.5 | 173.9 | -78.9 | -173.4 | -62 | 0 | 0 | 111.7 | V1396 L1404 H1438 E1439 C1446 | V1396-M1442 HydrophobicContact CG1-CG 3.73Å; V1396-M1442 HydrophobicContact CG1-SD 4.49Å; L1404-M1442 HydrophobicContact CB-CG 4.31Å; L1404-M1442 HydrophobicContact CD1-CG 4.34Å; L1404-M1442 HydrophobicContact CD2-CG 3.91Å; L1404-M1442 HydrophobicContact CG-CG 4.4Å; H1438-M1442 WeakPolarHBondContact O-CB 3.47Å; H1438-M1442 VanDerWaalsContact O-CG 3.31Å; H1438-M1442 WeakPolarHBondContact O-CG 3.14Å; H1438-M1442 PolarHBondContact O-N 3Å; E1439-M1442 HydrophobicContact CB-CE 4.49Å; E1439-M1442 HydrophobicContact CG-CE 4.14Å; E1439-M1442 WeakPolarHBondContact O-CB 3.42Å; E1439-M1442 PolarHBondContact O-N 3.44Å; M1442-C1446 WeakPolarHBondContact O-CB 3.49Å; M1442-C1446 PolarHBondContact O-N 2.87Å; M1442-C1446 PolarHBondContact O-SG 3.46Å |
| 1443 | K | 88 | Confident | 86 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 53% | 0.526 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.9 | -58.7 | 177.4 | -173.5 | 166.7 | -174.4 | 168.3 | 0 | 111.7 | E1439 E1440 V1441 V1445 C1446 D1447 | E1439-K1443 PolarHBondContact O-N 2.93Å; E1440-K1443 PolarHBondContact O-N 2.84Å; V1441-K1443 VanDerWaalsContact C-N 3.33Å; V1441-K1443 PolarHBondContact O-N 2.87Å; K1443-V1445 VanDerWaalsContact C-N 3.31Å; K1443-V1445 PolarHBondContact O-N 2.8Å; K1443-C1446 PolarHBondContact O-N 2.88Å; K1443-D1447 VanDerWaalsContact CG-OD2 3.26Å; K1443-D1447 WeakPolarHBondContact CG-OD2 3.38Å; K1443-D1447 WeakPolarHBondContact O-CB 3.23Å; K1443-D1447 VanDerWaalsContact O-CG 3.26Å; K1443-D1447 PolarHBondContact O-N 2.93Å |
| 1444 | F | 91.6 | Very high | 84.8 | Confident | 82 Ų | 82 | 62.6 Ų | 62.6 | 36% | 0.36 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -51.6 | -46.9 | -179.8 | -178.6 | -109.4 | 0 | 0 | 0 | 112.5 | Y1433 L1436 E1440 G1448 G1449 H1450 | Y1433-F1444 AromaticContact CD1-CD1 3.82Å; Y1433-F1444 HydrophobicContact CD1-CD1 3.82Å; Y1433-F1444 AromaticContact CD1-CE1 3.89Å; Y1433-F1444 HydrophobicContact CD1-CE1 3.89Å; Y1433-F1444 AromaticContact CE1-CD1 3.77Å; Y1433-F1444 HydrophobicContact CE1-CD1 3.77Å; Y1433-F1444 AromaticContact CE1-CE1 3.74Å; Y1433-F1444 HydrophobicContact CE1-CE1 3.74Å; L1436-F1444 HydrophobicContact CD1-CB 4.2Å; L1436-F1444 HydrophobicContact CD1-CD1 4.29Å; L1436-F1444 HydrophobicContact CD1-CG 4.21Å; E1440-F1444 WeakPolarHBondContact O-CB 3.34Å; E1440-F1444 PolarHBondContact O-N 2.9Å; F1444-G1448 PolarHBondContact O-N 2.89Å; F1444-G1449 VanDerWaalsContact O-CA 3.29Å; F1444-G1449 WeakPolarHBondContact O-CA 3.36Å; F1444-G1449 PolarHBondContact O-N 3.43Å; F1444-H1450 WeakPolarHBondContact CE1-O 3.3Å |
| 1445 | V | 93.1 | Very high | 83.6 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.3 | -38 | 179.2 | 172.9 | 0 | 0 | 0 | 0 | 112.3 | P1401 L1404 W1416 Y1433 V1441 K1443 D1447 G1448 G1449 F1474 | P1401-V1445 HydrophobicContact CB-CG1 3.97Å; P1401-V1445 HydrophobicContact CG-CG1 4.3Å; L1404-V1445 HydrophobicContact CD1-CB 3.94Å; L1404-V1445 HydrophobicContact CD1-CG1 3.82Å; W1416-V1445 HydrophobicContact CH2-CG1 3.81Å; W1416-V1445 HydrophobicContact CZ2-CB 4.44Å; W1416-V1445 HydrophobicContact CZ2-CG1 3.42Å; W1416-V1445 VanDerWaalsContact CZ2-CG1 3.42Å; W1416-V1445 HydrophobicContact CZ2-CG2 4.2Å; Y1433-V1445 HydrophobicContact CE1-CG2 3.86Å; Y1433-V1445 HydrophobicContact CE2-CG2 4.2Å; Y1433-V1445 WeakPolarHBondContact OH-CG2 3.34Å; V1441-V1445 HydrophobicContact CG1-CG2 4.13Å; V1441-V1445 VanDerWaalsContact O-CB 3.24Å; V1441-V1445 WeakPolarHBondContact O-CB 3.32Å; V1441-V1445 VanDerWaalsContact O-CG2 3.3Å; V1441-V1445 WeakPolarHBondContact O-CG2 3.14Å; V1441-V1445 PolarHBondContact O-N 2.91Å; K1443-V1445 VanDerWaalsContact C-N 3.31Å; K1443-V1445 PolarHBondContact O-N 2.8Å; V1445-D1447 VanDerWaalsContact C-N 3.35Å; V1445-G1448 PolarHBondContact O-N 2.87Å; V1445-G1449 WeakPolarHBondContact CA-O 3.32Å; V1445-F1474 WeakPolarHBondContact O-CE2 3.2Å |
| 1446 | C | 90.9 | Very high | 82.2 | Confident | 35 Ų | 35 | 67.2 Ų | 67.2 | 24% | 0.236 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -73.2 | -25.3 | 177 | -66.6 | 0 | 0 | 0 | 0 | 113.6 | M1442 K1443 G1448 F1474 | M1442-C1446 WeakPolarHBondContact O-CB 3.49Å; M1442-C1446 PolarHBondContact O-N 2.87Å; M1442-C1446 PolarHBondContact O-SG 3.46Å; K1443-C1446 PolarHBondContact O-N 2.88Å; C1446-G1448 VanDerWaalsContact C-N 3.26Å; C1446-F1474 VanDerWaalsContact O-CE2 3.3Å; C1446-F1474 WeakPolarHBondContact O-CE2 3.28Å; C1446-F1474 VanDerWaalsContact O-CZ 3.27Å; C1446-F1474 WeakPolarHBondContact O-CZ 3.3Å |
| 1447 | D | 89.9 | Confident | 80.3 | Confident | 125 Ų | 125 | 69.6 Ų | 69.6 | 67% | 0.668 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -2.8 | 175.5 | -67.1 | -17.2 | 0 | 0 | 0 | 112.6 | K1443 V1445 | K1443-D1447 VanDerWaalsContact CG-OD2 3.26Å; K1443-D1447 WeakPolarHBondContact CG-OD2 3.38Å; K1443-D1447 WeakPolarHBondContact O-CB 3.23Å; K1443-D1447 VanDerWaalsContact O-CG 3.26Å; K1443-D1447 PolarHBondContact O-N 2.93Å; V1445-D1447 VanDerWaalsContact C-N 3.35Å |
| 1448 | G | 89.4 | Confident | 79.2 | Confident | 36 Ų | 36 | 68.5 Ų | 68.5 | 37% | 0.371 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 113.2 | -2.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | F1444 V1445 C1446 | F1444-G1448 PolarHBondContact O-N 2.89Å; V1445-G1448 PolarHBondContact O-N 2.87Å; C1446-G1448 VanDerWaalsContact C-N 3.26Å |
| 1449 | G | 90.5 | Very high | 78.2 | Confident | 15 Ų | 15 | 70.4 Ų | 70.4 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | trans | -71.7 | 155.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F1444 V1445 | F1444-G1449 VanDerWaalsContact O-CA 3.29Å; F1444-G1449 WeakPolarHBondContact O-CA 3.36Å; F1444-G1449 PolarHBondContact O-N 3.43Å; V1445-G1449 WeakPolarHBondContact CA-O 3.32Å | ||
| 1450 | H | 92.4 | Very high | 77.6 | Confident | 65 Ų | 65 | 67.2 Ų | 67.2 | 30% | 0.301 | 36% | 0.358 | S | S | . | . | trans | -145.2 | 178.1 | 171.2 | 58.3 | 74.7 | 0 | 0 | 0 | 109.3 | W1416 F1444 N1452 W1472 | W1416-H1450 HydrophobicContact CH2-CB 4.01Å; W1416-H1450 HydrophobicContact CZ2-CB 4.33Å; F1444-H1450 WeakPolarHBondContact CE1-O 3.3Å; H1450-N1452 PolarHBondContact O-N 3.28Å; H1450-W1472 HydrophobicContact CB-CB 3.68Å; H1450-W1472 HydrophobicContact CB-CD2 4.07Å; H1450-W1472 HydrophobicContact CB-CE3 4.07Å; H1450-W1472 HydrophobicContact CB-CG 3.93Å; H1450-W1472 AromaticContact CG-CE3 3.94Å; H1450-W1472 AromaticContact ND1-CE3 3.52Å | ||
| 1451 | L | 90.7 | Very high | 77 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 136.6 | 178.3 | -65.2 | 162.1 | 0 | 0 | 0 | 110.3 | V1420 W1423 P1432 Y1433 W1472 | V1420-L1451 HydrophobicContact CB-CD1 4.25Å; V1420-L1451 HydrophobicContact CG1-CD1 3.94Å; V1420-L1451 HydrophobicContact CG2-CD1 3.88Å; W1423-L1451 HydrophobicContact CB-CD1 4Å; W1423-L1451 HydrophobicContact CD2-CB 4.37Å; W1423-L1451 HydrophobicContact CD2-CD1 3.73Å; W1423-L1451 HydrophobicContact CD2-CD2 4.35Å; W1423-L1451 HydrophobicContact CD2-CG 4.36Å; W1423-L1451 HydrophobicContact CE3-CD1 3.98Å; W1423-L1451 HydrophobicContact CG-CB 4.22Å; W1423-L1451 HydrophobicContact CG-CD1 3.75Å; W1423-L1451 HydrophobicContact CG-CG 4.5Å; W1423-L1451 HydrophobicContact CH2-CD2 4.36Å; W1423-L1451 HydrophobicContact CZ2-CD2 4.16Å; P1432-L1451 HydrophobicContact CB-CD1 4.02Å; P1432-L1451 HydrophobicContact CB-CD2 3.88Å; Y1433-L1451 HydrophobicContact CD1-CD2 3.71Å; Y1433-L1451 HydrophobicContact CD1-CG 4.36Å; Y1433-L1451 HydrophobicContact CD2-CD2 3.7Å; Y1433-L1451 HydrophobicContact CD2-CG 4.36Å; Y1433-L1451 HydrophobicContact CE1-CD2 3.75Å; Y1433-L1451 HydrophobicContact CE1-CG 3.88Å; Y1433-L1451 HydrophobicContact CE2-CD1 4.37Å; Y1433-L1451 HydrophobicContact CE2-CD2 3.73Å; Y1433-L1451 HydrophobicContact CE2-CG 3.88Å; Y1433-L1451 HydrophobicContact CG-CD2 3.67Å; L1451-W1472 HydrophobicContact CB-CH2 3.66Å; L1451-W1472 HydrophobicContact CB-CZ2 3.99Å; L1451-W1472 HydrophobicContact CB-CZ3 4.01Å; L1451-W1472 HydrophobicContact CD1-CH2 4.16Å; L1451-W1472 HydrophobicContact CD1-CZ2 3.71Å; L1451-W1472 HydrophobicContact CG-CH2 4.47Å; L1451-W1472 HydrophobicContact CG-CZ2 4.34Å; L1451-W1472 VanDerWaalsContact O-CZ3 3.32Å; L1451-W1472 WeakPolarHBondContact O-CZ3 3.43Å |
| 1452 | N | 83.2 | Confident | 76.7 | Confident | 133 Ų | 133 | 68.5 Ų | 68.5 | 71% | 0.711 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 133.6 | 166.8 | -69.1 | -9.2 | 0 | 0 | 0 | 108.4 | W1423 H1450 | W1423-N1452 PolarHBondContact NE1-O 2.74Å; H1450-N1452 PolarHBondContact O-N 3.28Å |
| 1453 | L | 72.7 | Confident | 76.7 | Confident | 56 Ų | 56 | 67 Ų | 67 | 29% | 0.293 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 136.1 | 166 | -61.2 | 178.4 | 0 | 0 | 0 | 108.3 | E1455 L1465 M1468 W1472 | L1453-E1455 PolarHBondContact O-N 2.69Å; L1453-L1465 HydrophobicContact CD1-CB 4.26Å; L1453-L1465 HydrophobicContact CD2-CD2 4.08Å; L1453-M1468 HydrophobicContact CD2-CB 3.95Å; L1453-M1468 HydrophobicContact CD2-SD 3.72Å; L1453-W1472 HydrophobicContact CD2-CH2 4.42Å; L1453-W1472 HydrophobicContact CD2-CZ3 3.93Å |
| 1454 | P | 65 | Low | 76.7 | Confident | 41 Ų | 41 | 61.3 Ų | 61.3 | 27% | 0.266 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 129.5 | -177.2 | 25.3 | -33.4 | 0 | 0 | 0 | 111.1 | A1426 T1427 C1456 | A1426-P1454 HydrophobicContact CB-CG 4.24Å; T1427-P1454 HydrophobicContact CG2-CB 4.25Å; T1427-P1454 HydrophobicContact CG2-CG 4.22Å; P1454-C1456 VanDerWaalsContact C-N 3.32Å; P1454-C1456 PolarHBondContact O-N 3.05Å |
| 1455 | E | 56 | Low | 76.4 | Confident | 198 Ų | 198 | 59.7 Ų | 59.7 | 93% | 0.925 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -67 | -33.6 | -178.2 | -62.7 | -174.4 | 156.1 | 0 | 0 | 112.6 | L1453 P1457 | L1453-E1455 PolarHBondContact O-N 2.69Å; E1455-P1457 WeakPolarHBondContact O-CD 3.03Å |
| 1456 | C | 51 | Low | 76.3 | Confident | 72 Ų | 72 | 62.1 Ų | 62.1 | 49% | 0.486 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -83.3 | 119.5 | 170 | -171.8 | 0 | 0 | 0 | 0 | 109.2 | P1454 T1458 | P1454-C1456 VanDerWaalsContact C-N 3.32Å; P1454-C1456 PolarHBondContact O-N 3.05Å; C1456-T1458 PolarHBondContact O-N 3.07Å |
| 1457 | P | 46.2 | Very low | 76.4 | Confident | 103 Ų | 103 | 60.5 Ų | 60.5 | 67% | 0.669 | 34% | 0.34 | S | S | * | . | trans | -73.2 | 98.9 | 174.4 | 30.5 | -33.6 | 0 | 0 | 0 | 109.9 | E1455 K1459 | E1455-P1457 WeakPolarHBondContact O-CD 3.03Å; P1457-K1459 PolarHBondContact O-N 3.17Å | ||
| 1458 | T | 52.3 | Low | 76.5 | Confident | 20 Ų | 20 | 54.5 Ų | 54.5 | 12% | 0.123 | 31% | 0.308 | C | S | . | . | trans | -49.7 | 138.3 | 136.1 | 49.4 | 0 | 0 | 0 | 0 | 107.1 | A1426 F1428 C1456 L1460 | A1426-T1458 WeakPolarHBondContact O-CB 3.36Å; A1426-T1458 VanDerWaalsContact O-CG2 3.22Å; A1426-T1458 WeakPolarHBondContact O-CG2 3.24Å; A1426-T1458 PolarHBondContact O-OG1 2.92Å; F1428-T1458 HydrophobicContact CD2-CG2 4.26Å; F1428-T1458 HydrophobicContact CE2-CG2 3.67Å; C1456-T1458 PolarHBondContact O-N 3.07Å; T1458-L1460 PolarHBondContact O-N 2.9Å | ||
| 1459 | K | 58.2 | Low | 76.6 | Confident | 124 Ų | 124 | 56.1 Ų | 56.1 | 54% | 0.539 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -73 | 51.2 | -165.6 | -60.2 | 177.2 | -171 | 148.3 | 0 | 113.4 | S1326 T1329 P1457 | S1326-K1459 PolarHBondContact OG-NZ 2.92Å; S1326-K1459 VanDerWaalsContact OG-NZ 3.16Å; T1329-K1459 WeakPolarHBondContact CB-O 3.29Å; T1329-K1459 WeakPolarHBondContact CG2-O 3.25Å; T1329-K1459 PolarHBondContact OG1-O 3.2Å; P1457-K1459 PolarHBondContact O-N 3.17Å |
| 1460 | L | 66.9 | Low | 76.8 | Confident | 20 Ų | 20 | 58.3 Ų | 58.3 | 11% | 0.105 | 32% | 0.315 | C | S | . | . | trans | -78.7 | 140.2 | 171.1 | -59.9 | -172.9 | 0 | 0 | 0 | 109.1 | A1332 A1426 T1458 L1464 M1468 | A1332-L1460 HydrophobicContact CB-CD2 3.47Å; A1332-L1460 VanDerWaalsContact CB-CD2 3.47Å; A1426-L1460 HydrophobicContact CB-CD1 3.31Å; T1458-L1460 PolarHBondContact O-N 2.9Å; L1460-L1464 HydrophobicContact CB-CD1 4.42Å; L1460-L1464 HydrophobicContact CD2-CD1 4.07Å; L1460-M1468 HydrophobicContact CD1-CE 3.86Å | ||
| 1461 | P | 74.3 | Confident | 77 | Confident | 17 Ų | 17 | 55.2 Ų | 55.2 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | trans | -73.1 | 149.2 | 175.5 | 22.5 | -13.2 | 0 | 0 | 0 | 109.3 | T1329 I1333 I1463 L1464 F1492 | T1329-P1461 HydrophobicContact CG2-CB 4.1Å; T1329-P1461 HydrophobicContact CG2-CG 3.71Å; I1333-P1461 HydrophobicContact CD1-CG 3.55Å; I1333-P1461 HydrophobicContact CG1-CG 3.62Å; P1461-I1463 HydrophobicContact CB-CG2 3.93Å; P1461-I1463 HydrophobicContact CG-CG2 3.81Å; P1461-I1463 PolarHBondContact O-N 3.43Å; P1461-L1464 HydrophobicContact CG-CG 4.38Å; P1461-L1464 PolarHBondContact O-N 3.18Å; P1461-F1492 HydrophobicContact CB-CE1 4.07Å; P1461-F1492 HydrophobicContact CB-CZ 3.82Å; P1461-F1492 HydrophobicContact CG-CE1 4.33Å | ||
| 1462 | V | 81.2 | Confident | 77.2 | Confident | 108 Ų | 108 | 55.3 Ų | 55.3 | 66% | 0.655 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -52.4 | -27.1 | -175.9 | 178.6 | 0 | 0 | 0 | 0 | 113 | L1464 L1465 T1466 | V1462-L1464 VanDerWaalsContact C-N 3.32Å; V1462-L1464 PolarHBondContact O-N 3.36Å; V1462-L1465 PolarHBondContact O-N 3.11Å; V1462-T1466 VanDerWaalsContact O-CB 3.32Å; V1462-T1466 WeakPolarHBondContact O-CB 3.32Å; V1462-T1466 PolarHBondContact O-N 2.96Å; V1462-T1466 PolarHBondContact O-OG1 3.14Å |
| 1463 | I | 86.5 | Confident | 77.8 | Confident | 30 Ų | 30 | 52.7 Ų | 52.7 | 15% | 0.154 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.7 | -40.2 | 172.1 | -168.7 | 60.8 | 0 | 0 | 0 | 113.3 | P1461 L1467 R1488 F1492 | P1461-I1463 HydrophobicContact CB-CG2 3.93Å; P1461-I1463 HydrophobicContact CG-CG2 3.81Å; P1461-I1463 PolarHBondContact O-N 3.43Å; I1463-L1467 HydrophobicContact CD1-CD1 4.47Å; I1463-L1467 HydrophobicContact CG1-CD1 4.06Å; I1463-L1467 WeakPolarHBondContact O-CB 3.04Å; I1463-L1467 WeakPolarHBondContact O-CD1 3.43Å; I1463-L1467 WeakPolarHBondContact O-CG 3.46Å; I1463-L1467 PolarHBondContact O-N 3.13Å; I1463-R1488 HydrophobicContact CD1-CB 4.39Å; I1463-F1492 HydrophobicContact CB-CD2 3.91Å; I1463-F1492 HydrophobicContact CB-CE2 4.25Å; I1463-F1492 HydrophobicContact CB-CG 4.23Å; I1463-F1492 HydrophobicContact CG1-CB 4.25Å; I1463-F1492 HydrophobicContact CG1-CD2 4.28Å; I1463-F1492 HydrophobicContact CG1-CG 4.33Å; I1463-F1492 HydrophobicContact CG2-CD1 4.12Å; I1463-F1492 HydrophobicContact CG2-CD2 4.02Å; I1463-F1492 HydrophobicContact CG2-CE1 4.3Å; I1463-F1492 HydrophobicContact CG2-CE2 4.2Å; I1463-F1492 HydrophobicContact CG2-CG 3.98Å; I1463-F1492 HydrophobicContact CG2-CZ 4.34Å |
| 1464 | L | 88.2 | Confident | 78.8 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.5 | -41.6 | -179.3 | -63.5 | -174.3 | 0 | 0 | 0 | 111.7 | A1332 A1336 L1422 L1460 P1461 V1462 T1466 L1467 M1468 L1489 | A1332-L1464 HydrophobicContact CB-CD1 4.19Å; A1336-L1464 HydrophobicContact CB-CD2 3.66Å; L1422-L1464 HydrophobicContact CD1-CD2 4.5Å; L1422-L1464 HydrophobicContact CD2-CD2 4.44Å; L1460-L1464 HydrophobicContact CB-CD1 4.42Å; L1460-L1464 HydrophobicContact CD2-CD1 4.07Å; P1461-L1464 HydrophobicContact CG-CG 4.38Å; P1461-L1464 PolarHBondContact O-N 3.18Å; V1462-L1464 VanDerWaalsContact C-N 3.32Å; V1462-L1464 PolarHBondContact O-N 3.36Å; L1464-T1466 VanDerWaalsContact C-N 3.31Å; L1464-T1466 PolarHBondContact O-N 3.36Å; L1464-L1467 HydrophobicContact CD2-CD1 4.37Å; L1464-L1467 PolarHBondContact O-N 2.87Å; L1464-M1468 HydrophobicContact CB-CE 4.36Å; L1464-M1468 WeakPolarHBondContact O-CG 3.48Å; L1464-M1468 PolarHBondContact O-N 3.36Å; L1464-L1489 HydrophobicContact CD2-CD2 3.65Å |
| 1465 | L | 86.7 | Confident | 80.1 | Confident | 48 Ų | 48 | 54.2 Ų | 54.2 | 25% | 0.251 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 173.9 | -61.3 | 173.5 | 0 | 0 | 0 | 111.4 | L1453 V1462 M1468 N1469 | L1453-L1465 HydrophobicContact CD1-CB 4.26Å; L1453-L1465 HydrophobicContact CD2-CD2 4.08Å; V1462-L1465 PolarHBondContact O-N 3.11Å; L1465-M1468 HydrophobicContact CD2-CE 3.96Å; L1465-M1468 HydrophobicContact CD2-SD 4.25Å; L1465-M1468 PolarHBondContact O-N 2.69Å; L1465-N1469 PolarHBondContact O-N 2.9Å |
| 1466 | T | 89.6 | Confident | 81.8 | Confident | 52 Ų | 52 | 46.3 Ų | 46.3 | 32% | 0.319 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 174.2 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | V1462 L1464 N1469 M1470 | V1462-T1466 VanDerWaalsContact O-CB 3.32Å; V1462-T1466 WeakPolarHBondContact O-CB 3.32Å; V1462-T1466 PolarHBondContact O-N 2.96Å; V1462-T1466 PolarHBondContact O-OG1 3.14Å; L1464-T1466 VanDerWaalsContact C-N 3.31Å; L1464-T1466 PolarHBondContact O-N 3.36Å; T1466-N1469 PolarHBondContact O-N 3.03Å; T1466-M1470 HydrophobicContact CG2-CE 3.55Å; T1466-M1470 HydrophobicContact CG2-SD 3.99Å; T1466-M1470 VanDerWaalsContact O-CG 3.29Å; T1466-M1470 WeakPolarHBondContact O-CG 3.12Å; T1466-M1470 PolarHBondContact O-N 3.09Å |
| 1467 | L | 92.8 | Very high | 83.7 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.5 | -37.4 | 177.2 | -74.8 | 167.7 | 0 | 0 | 0 | 112.4 | L1422 I1463 L1464 M1470 C1471 L1480 I1485 R1488 L1489 | L1422-L1467 HydrophobicContact CD1-CB 4.09Å; I1463-L1467 HydrophobicContact CD1-CD1 4.47Å; I1463-L1467 HydrophobicContact CG1-CD1 4.06Å; I1463-L1467 WeakPolarHBondContact O-CB 3.04Å; I1463-L1467 WeakPolarHBondContact O-CD1 3.43Å; I1463-L1467 WeakPolarHBondContact O-CG 3.46Å; I1463-L1467 PolarHBondContact O-N 3.13Å; L1464-L1467 HydrophobicContact CD2-CD1 4.37Å; L1464-L1467 PolarHBondContact O-N 2.87Å; L1467-M1470 CarbonylContact O-C 3.53Å; L1467-M1470 PolarHBondContact O-N 3.31Å; L1467-C1471 WeakPolarHBondContact O-CB 3.35Å; L1467-C1471 PolarHBondContact O-N 3.15Å; L1467-C1471 PolarHBondContact O-SG 2.8Å; L1467-L1480 HydrophobicContact CD2-CD1 3.59Å; L1467-I1485 HydrophobicContact CD2-CG1 4.22Å; L1467-I1485 HydrophobicContact CD2-CG2 4.38Å; L1467-R1488 HydrophobicContact CD2-CB 4.22Å; L1467-L1489 HydrophobicContact CD1-CD1 4.4Å; L1467-L1489 HydrophobicContact CD1-CD2 3.46Å; L1467-L1489 VanDerWaalsContact CD1-CD2 3.46Å; L1467-L1489 HydrophobicContact CD1-CG 3.69Å |
| 1468 | M | 93.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.1 | -54.6 | 173.4 | -74.1 | 174.3 | -139.5 | 0 | 0 | 111.2 | L1422 W1423 A1426 L1453 L1460 L1464 L1465 M1470 C1471 W1472 | L1422-M1468 HydrophobicContact CB-CE 4Å; L1422-M1468 HydrophobicContact CB-CG 3.71Å; L1422-M1468 HydrophobicContact CB-SD 4.46Å; L1422-M1468 HydrophobicContact CD1-CG 4.32Å; L1422-M1468 WeakPolarHBondContact O-CE 3.3Å; W1423-M1468 HydrophobicContact CB-SD 4.18Å; A1426-M1468 HydrophobicContact CB-CE 3.96Å; L1453-M1468 HydrophobicContact CD2-CB 3.95Å; L1453-M1468 HydrophobicContact CD2-SD 3.72Å; L1460-M1468 HydrophobicContact CD1-CE 3.86Å; L1464-M1468 HydrophobicContact CB-CE 4.36Å; L1464-M1468 WeakPolarHBondContact O-CG 3.48Å; L1464-M1468 PolarHBondContact O-N 3.36Å; L1465-M1468 HydrophobicContact CD2-CE 3.96Å; L1465-M1468 HydrophobicContact CD2-SD 4.25Å; L1465-M1468 PolarHBondContact O-N 2.69Å; M1468-M1470 VanDerWaalsContact C-N 3.32Å; M1468-M1470 PolarHBondContact O-N 2.9Å; M1468-C1471 WeakPolarHBondContact O-CA 3.48Å; M1468-C1471 WeakPolarHBondContact O-CB 3.4Å; M1468-C1471 PolarHBondContact O-N 3.23Å; M1468-W1472 HydrophobicContact CB-CE3 4.23Å; M1468-W1472 HydrophobicContact CB-CH2 3.71Å; M1468-W1472 HydrophobicContact CB-CZ2 4.18Å; M1468-W1472 HydrophobicContact CB-CZ3 3.76Å; M1468-W1472 HydrophobicContact CG-CH2 4.04Å; M1468-W1472 HydrophobicContact CG-CZ2 4.37Å; M1468-W1472 PolarHBondContact O-N 2.95Å; M1468-W1472 HydrophobicContact SD-CH2 4.09Å |
| 1469 | N | 91.4 | Very high | 88 | Confident | 70 Ų | 70 | 47.4 Ų | 47.4 | 37% | 0.374 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.5 | -42.5 | 176.9 | -73.9 | -8.2 | 0 | 0 | 0 | 112.2 | L1465 T1466 C1471 W1472 E1473 | L1465-N1469 PolarHBondContact O-N 2.9Å; T1466-N1469 PolarHBondContact O-N 3.03Å; N1469-C1471 PolarHBondContact O-N 3.27Å; N1469-W1472 CarbonylContact O-C 2.94Å; N1469-W1472 PolarHBondContact O-N 2.71Å; N1469-W1472 VanDerWaalsContact O-N 3.11Å; N1469-E1473 PolarHBondContact O-N 3.41Å |
| 1470 | M | 94.6 | Very high | 89.7 | Confident | 61 Ų | 61 | 42 Ų | 42 | 30% | 0.3 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -69.9 | -16.1 | 176.9 | -68 | 178.9 | 179.4 | 0 | 0 | 114.1 | T1466 L1467 M1468 R1479 L1480 R1488 | T1466-M1470 HydrophobicContact CG2-CE 3.55Å; T1466-M1470 HydrophobicContact CG2-SD 3.99Å; T1466-M1470 VanDerWaalsContact O-CG 3.29Å; T1466-M1470 WeakPolarHBondContact O-CG 3.12Å; T1466-M1470 PolarHBondContact O-N 3.09Å; L1467-M1470 CarbonylContact O-C 3.53Å; L1467-M1470 PolarHBondContact O-N 3.31Å; M1468-M1470 VanDerWaalsContact C-N 3.32Å; M1468-M1470 PolarHBondContact O-N 2.9Å; M1470-R1479 WeakPolarHBondContact O-CA 3.29Å; M1470-L1480 HydrophobicContact CB-CD1 3.69Å; M1470-L1480 HydrophobicContact CB-CG 3.94Å; M1470-L1480 HydrophobicContact CG-CD1 4.49Å; M1470-L1480 PolarHBondContact O-N 2.6Å; M1470-L1480 HydrophobicContact SD-CD1 4.09Å; M1470-R1488 PolarHBondContact SD-NH1 2.76Å |
| 1471 | C | 96.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -86.5 | -25.1 | 170.1 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | V1415 W1416 L1467 M1468 N1469 R1479 | V1415-C1471 HydrophobicContact CG1-CB 3.99Å; V1415-C1471 WeakPolarHBondContact O-CB 3.4Å; W1416-C1471 WeakPolarHBondContact CA-O 3.16Å; L1467-C1471 WeakPolarHBondContact O-CB 3.35Å; L1467-C1471 PolarHBondContact O-N 3.15Å; L1467-C1471 PolarHBondContact O-SG 2.8Å; M1468-C1471 WeakPolarHBondContact O-CA 3.48Å; M1468-C1471 WeakPolarHBondContact O-CB 3.4Å; M1468-C1471 PolarHBondContact O-N 3.23Å; N1469-C1471 PolarHBondContact O-N 3.27Å; C1471-R1479 VanDerWaalsContact O-CD 3.3Å; C1471-R1479 WeakPolarHBondContact O-CD 3.09Å; C1471-R1479 WeakPolarHBondContact O-CG 3.34Å |
| 1472 | W | 95.9 | Very high | 92.2 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 2% | 0.019 | 23% | 0.225 | C | C | . | . | trans | -98.3 | 11.8 | 178.4 | -55.1 | -38 | 0 | 0 | 0 | 115 | W1416 G1419 W1423 H1450 L1451 L1453 M1468 N1469 F1474 | W1416-W1472 AromaticContact CD2-CD1 3.7Å; W1416-W1472 AromaticContact CE2-CD1 3.83Å; W1416-W1472 HydrophobicContact CE3-CB 4.14Å; W1416-W1472 HydrophobicContact CE3-CG 4.48Å; W1416-W1472 HydrophobicContact CH2-CB 4.17Å; W1416-W1472 HydrophobicContact CZ3-CB 3.9Å; W1416-W1472 WeakPolarHBondContact CZ3-O 3.43Å; W1416-W1472 PolarHBondContact O-NE1 3.21Å; G1419-W1472 VanDerWaalsContact O-CZ2 3.24Å; G1419-W1472 WeakPolarHBondContact O-CZ2 3.39Å; W1423-W1472 HydrophobicContact CB-CH2 3.85Å; W1423-W1472 HydrophobicContact CB-CZ2 3.85Å; W1423-W1472 AromaticContact CD1-CH2 3.82Å; W1423-W1472 HydrophobicContact CG-CH2 4.09Å; W1423-W1472 HydrophobicContact CG-CZ2 4.42Å; H1450-W1472 HydrophobicContact CB-CB 3.68Å; H1450-W1472 HydrophobicContact CB-CD2 4.07Å; H1450-W1472 HydrophobicContact CB-CE3 4.07Å; H1450-W1472 HydrophobicContact CB-CG 3.93Å; H1450-W1472 AromaticContact CG-CE3 3.94Å; H1450-W1472 AromaticContact ND1-CE3 3.52Å; L1451-W1472 HydrophobicContact CB-CH2 3.66Å; L1451-W1472 HydrophobicContact CB-CZ2 3.99Å; L1451-W1472 HydrophobicContact CB-CZ3 4.01Å; L1451-W1472 HydrophobicContact CD1-CH2 4.16Å; L1451-W1472 HydrophobicContact CD1-CZ2 3.71Å; L1451-W1472 HydrophobicContact CG-CH2 4.47Å; L1451-W1472 HydrophobicContact CG-CZ2 4.34Å; L1451-W1472 VanDerWaalsContact O-CZ3 3.32Å; L1451-W1472 WeakPolarHBondContact O-CZ3 3.43Å; L1453-W1472 HydrophobicContact CD2-CH2 4.42Å; L1453-W1472 HydrophobicContact CD2-CZ3 3.93Å; M1468-W1472 HydrophobicContact CB-CE3 4.23Å; M1468-W1472 HydrophobicContact CB-CH2 3.71Å; M1468-W1472 HydrophobicContact CB-CZ2 4.18Å; M1468-W1472 HydrophobicContact CB-CZ3 3.76Å; M1468-W1472 HydrophobicContact CG-CH2 4.04Å; M1468-W1472 HydrophobicContact CG-CZ2 4.37Å; M1468-W1472 PolarHBondContact O-N 2.95Å; M1468-W1472 HydrophobicContact SD-CH2 4.09Å; N1469-W1472 CarbonylContact O-C 2.94Å; N1469-W1472 PolarHBondContact O-N 2.71Å; N1469-W1472 VanDerWaalsContact O-N 3.11Å; W1472-F1474 PolarHBondContact O-N 3.27Å; W1472-F1474 VanDerWaalsContact O-N 3.08Å | ||
| 1473 | E | 95.4 | Very high | 92.8 | Very high | 78 Ų | 78 | 40.5 Ų | 40.5 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | trans | -47.6 | 117.8 | 164 | -97.6 | -72.2 | 176 | 0 | 0 | 110.2 | N1469 E1475 K1478 R1479 | N1469-E1473 PolarHBondContact O-N 3.41Å; E1473-E1475 VanDerWaalsContact C-N 3.28Å; E1473-E1475 PolarHBondContact O-N 2.91Å; E1473-K1478 HydrophobicContact CB-CB 3.97Å; E1473-K1478 HydrophobicContact CG-CB 3.95Å; E1473-K1478 WeakPolarHBondContact OE2-CB 3.33Å; E1473-K1478 WeakPolarHBondContact OE2-CD 3.33Å; E1473-R1479 HydrophobicContact CB-CB 4.37Å; E1473-R1479 HydrophobicContact CB-CG 3.67Å; E1473-R1479 WeakPolarHBondContact O-CG 3.33Å; E1473-R1479 PolarHBondContact O-NE 3.49Å | ||
| 1474 | F | 93 | Very high | 93.3 | Very high | 84 Ų | 84 | 43 Ų | 43 | 37% | 0.368 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -58.6 | -41.3 | -167.9 | 179.1 | -101.3 | 0 | 0 | 0 | 112.2 | P1401 V1445 C1446 W1472 R1479 | P1401-F1474 HydrophobicContact CB-CD2 3.94Å; P1401-F1474 HydrophobicContact CB-CE2 3.53Å; P1401-F1474 HydrophobicContact CB-CZ 4.27Å; P1401-F1474 HydrophobicContact CG-CD2 3.7Å; P1401-F1474 HydrophobicContact CG-CE2 3.83Å; P1401-F1474 HydrophobicContact CG-CG 4.46Å; V1445-F1474 WeakPolarHBondContact O-CE2 3.2Å; C1446-F1474 VanDerWaalsContact O-CE2 3.3Å; C1446-F1474 WeakPolarHBondContact O-CE2 3.28Å; C1446-F1474 VanDerWaalsContact O-CZ 3.27Å; C1446-F1474 WeakPolarHBondContact O-CZ 3.3Å; W1472-F1474 PolarHBondContact O-N 3.27Å; W1472-F1474 VanDerWaalsContact O-N 3.08Å; F1474-R1479 PolarHBondContact O-NH2 3.48Å |
| 1475 | E | 91.5 | Very high | 93.6 | Very high | 45 Ų | 45 | 42.9 Ų | 42.9 | 21% | 0.21 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -81.1 | 124 | 177.8 | -58.7 | -152.9 | 107.2 | 0 | 0 | 111.5 | R819 E1473 T1477 K1478 R1479 | R819-E1475 IonicContact CZ-OE1 2.67Å; R819-E1475 VanDerWaalsContact CZ-OE1 3.28Å; R819-E1475 IonicContact NH1-OE1 3.83Å; R819-E1475 PolarHBondContact NH1-OE1 3.14Å; R819-E1475 IonicContact NH2-OE1 2.68Å; R819-E1475 PolarHBondContact NH2-OE1 2.66Å; E1473-E1475 VanDerWaalsContact C-N 3.28Å; E1473-E1475 PolarHBondContact O-N 2.91Å; E1475-T1477 PolarHBondContact O-N 3.4Å; E1475-K1478 HydrophobicContact CB-CD 4.19Å; E1475-K1478 HydrophobicContact CB-CG 4.16Å; E1475-K1478 PolarHBondContact O-N 3.48Å; E1475-K1478 WeakPolarHBondContact OE2-CE 3.25Å; E1475-R1479 PolarHBondContact O-N 2.81Å |
| 1476 | P | 92.1 | Very high | 94 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 21% | 0.208 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -19.6 | -176.7 | -24 | 32.8 | 0 | 0 | 0 | 114.7 | E1402 K1412 | E1402-P1476 HydrophobicContact CB-CG 4.11Å; E1402-P1476 HydrophobicContact CG-CG 3.8Å; E1402-P1476 WeakPolarHBondContact OE1-CG 3.25Å; K1412-P1476 HydrophobicContact CB-CB 4.07Å; K1412-P1476 WeakPolarHBondContact CD-O 3.15Å; K1412-P1476 VanDerWaalsContact CG-O 3.24Å; K1412-P1476 WeakPolarHBondContact CG-O 3.4Å |
| 1477 | T | 91.2 | Very high | 94.1 | Very high | 96 Ų | 96 | 42.1 Ų | 42.1 | 59% | 0.589 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -15.4 | 175.2 | 41.7 | 0 | 0 | 0 | 0 | 114.2 | E1475 | E1475-T1477 PolarHBondContact O-N 3.4Š|
| 1478 | K | 93.1 | Very high | 94.1 | Very high | 121 Ų | 121 | 46.6 Ų | 46.6 | 53% | 0.526 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -30.3 | 177.7 | -66.6 | -177.7 | 179.6 | -175 | 0 | 113.4 | E1473 E1475 | E1473-K1478 HydrophobicContact CB-CB 3.97Å; E1473-K1478 HydrophobicContact CG-CB 3.95Å; E1473-K1478 WeakPolarHBondContact OE2-CB 3.33Å; E1473-K1478 WeakPolarHBondContact OE2-CD 3.33Å; E1475-K1478 HydrophobicContact CB-CD 4.19Å; E1475-K1478 HydrophobicContact CB-CG 4.16Å; E1475-K1478 PolarHBondContact O-N 3.48Å; E1475-K1478 WeakPolarHBondContact OE2-CE 3.25Å |
| 1479 | R | 95 | Very high | 94 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -53.9 | 149.1 | 172 | -61.1 | 175.4 | -156.2 | 146.8 | 10.2 | 110.6 | E1402 K1412 V1415 M1470 C1471 E1473 F1474 E1475 | E1402-R1479 VanDerWaalsContact CD-NH1 3.32Å; E1402-R1479 IonicContact OE1-CZ 2.96Å; E1402-R1479 IonicContact OE1-NH1 2.77Å; E1402-R1479 PolarHBondContact OE1-NH1 3.37Å; E1402-R1479 IonicContact OE1-NH2 3.42Å; E1402-R1479 IonicContact OE2-CZ 2.65Å; E1402-R1479 IonicContact OE2-NH1 2.68Å; E1402-R1479 PolarHBondContact OE2-NH1 3Å; E1402-R1479 IonicContact OE2-NH2 3.7Å; E1402-R1479 PolarHBondContact OE2-NH2 2.89Å; K1412-R1479 HydrophobicContact CD-CB 4.35Å; K1412-R1479 PolarHBondContact NZ-O 3.34Å; K1412-R1479 VanDerWaalsContact O-CD 3.3Å; K1412-R1479 WeakPolarHBondContact O-CD 3.42Å; K1412-R1479 PolarHBondContact O-NH1 2.8Å; V1415-R1479 HydrophobicContact CG1-CB 4.24Å; M1470-R1479 WeakPolarHBondContact O-CA 3.29Å; C1471-R1479 VanDerWaalsContact O-CD 3.3Å; C1471-R1479 WeakPolarHBondContact O-CD 3.09Å; C1471-R1479 WeakPolarHBondContact O-CG 3.34Å; E1473-R1479 HydrophobicContact CB-CB 4.37Å; E1473-R1479 HydrophobicContact CB-CG 3.67Å; E1473-R1479 WeakPolarHBondContact O-CG 3.33Å; E1473-R1479 PolarHBondContact O-NE 3.49Å; F1474-R1479 PolarHBondContact O-NH2 3.48Å; E1475-R1479 PolarHBondContact O-N 2.81Å |
| 1480 | L | 95.1 | Very high | 93.7 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 163.5 | 172.9 | -60.1 | 175 | 0 | 0 | 0 | 112.4 | K1412 L1467 M1470 E1484 I1485 | K1412-L1480 VanDerWaalsContact CD-O 3.23Å; K1412-L1480 WeakPolarHBondContact CD-O 3.13Å; K1412-L1480 PolarHBondContact NZ-O 3.38Å; L1467-L1480 HydrophobicContact CD2-CD1 3.59Å; M1470-L1480 HydrophobicContact CB-CD1 3.69Å; M1470-L1480 HydrophobicContact CB-CG 3.94Å; M1470-L1480 HydrophobicContact CG-CD1 4.49Å; M1470-L1480 PolarHBondContact O-N 2.6Å; M1470-L1480 HydrophobicContact SD-CD1 4.09Å; L1480-E1484 HydrophobicContact CB-CB 4.22Å; L1480-E1484 HydrophobicContact CD2-CB 4.08Å; L1480-I1485 HydrophobicContact CB-CD1 4.18Å; L1480-I1485 HydrophobicContact CB-CG1 3.76Å; L1480-I1485 HydrophobicContact CD1-CG1 3.77Å; L1480-I1485 HydrophobicContact CG-CG1 4.44Å |
| 1481 | T | 95.9 | Very high | 93.1 | Very high | 49 Ų | 49 | 48.8 Ų | 48.8 | 30% | 0.301 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 163.3 | 157.6 | 57.2 | 0 | 0 | 0 | 0 | 110.2 | K1412 S1483 E1484 I1485 | K1412-T1481 VanDerWaalsContact NZ-CG2 3.28Å; T1481-S1483 PolarHBondContact O-N 3.45Å; T1481-E1484 VanDerWaalsContact CB-OE2 3.29Å; T1481-E1484 WeakPolarHBondContact CB-OE2 3.17Å; T1481-E1484 WeakPolarHBondContact CG2-OE2 3.42Å; T1481-E1484 PolarHBondContact N-OE2 2.87Å; T1481-E1484 PolarHBondContact O-N 2.81Å; T1481-E1484 WeakPolarHBondContact OG1-CG 3.34Å; T1481-E1484 PolarHBondContact OG1-N 3.07Å; T1481-E1484 VanDerWaalsContact OG1-N 3.12Å; T1481-E1484 PolarHBondContact OG1-OE2 3.47Å; T1481-I1485 VanDerWaalsContact O-CG1 3.29Å; T1481-I1485 WeakPolarHBondContact O-CG1 3.27Å; T1481-I1485 PolarHBondContact O-N 2.86Å |
| 1482 | F | 96.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.9 | -31.2 | 170.1 | -71 | -68.9 | 0 | 0 | 0 | 112.9 | M1343 N1344 A1347 D1414 V1415 Y1418 I1485 L1486 | M1343-F1482 HydrophobicContact CB-CD1 3.58Å; M1343-F1482 HydrophobicContact CB-CD2 3.87Å; M1343-F1482 HydrophobicContact CB-CE1 3.43Å; M1343-F1482 VanDerWaalsContact CB-CE1 3.43Å; M1343-F1482 HydrophobicContact CB-CE2 3.73Å; M1343-F1482 HydrophobicContact CB-CG 3.8Å; M1343-F1482 HydrophobicContact CB-CZ 3.51Å; M1343-F1482 HydrophobicContact CE-CE2 3.82Å; M1343-F1482 HydrophobicContact CE-CZ 3.89Å; M1343-F1482 HydrophobicContact CG-CE1 3.93Å; M1343-F1482 HydrophobicContact CG-CE2 4.43Å; M1343-F1482 HydrophobicContact CG-CZ 3.88Å; N1344-F1482 HydrophobicContact CB-CB 3.74Å; A1347-F1482 HydrophobicContact CB-CD2 4.27Å; D1414-F1482 HydrophobicContact CB-CE2 4.11Å; D1414-F1482 HydrophobicContact CB-CZ 4.2Å; V1415-F1482 HydrophobicContact CB-CZ 4.33Å; V1415-F1482 HydrophobicContact CG2-CD1 4.28Å; V1415-F1482 HydrophobicContact CG2-CD2 3.78Å; V1415-F1482 HydrophobicContact CG2-CE1 4.05Å; V1415-F1482 HydrophobicContact CG2-CE2 3.51Å; V1415-F1482 HydrophobicContact CG2-CG 4.15Å; V1415-F1482 HydrophobicContact CG2-CZ 3.66Å; Y1418-F1482 HydrophobicContact CD1-CE1 4.26Å; Y1418-F1482 AromaticContact CD2-CE1 3.96Å; Y1418-F1482 HydrophobicContact CD2-CE1 3.96Å; Y1418-F1482 AromaticContact CG-CE1 3.7Å; Y1418-F1482 HydrophobicContact CG-CE1 3.7Å; F1482-I1485 HydrophobicContact CD1-CD1 4.14Å; F1482-I1485 HydrophobicContact CE1-CD1 4.49Å; F1482-I1485 PolarHBondContact O-N 3.31Å; F1482-L1486 WeakPolarHBondContact O-CB 3.46Å; F1482-L1486 VanDerWaalsContact O-CG 3.27Å; F1482-L1486 WeakPolarHBondContact O-CG 3.13Å; F1482-L1486 PolarHBondContact O-N 3.04Å |
| 1483 | S | 95.1 | Very high | 90.9 | Very high | 61 Ų | 61 | 53.2 Ų | 53.2 | 43% | 0.427 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.6 | -46.7 | 173.4 | -169.1 | 0 | 0 | 0 | 0 | 111.9 | N1344 T1481 I1485 L1486 S1487 | N1344-S1483 WeakPolarHBondContact OD1-CA 3.32Å; N1344-S1483 WeakPolarHBondContact OD1-CB 3.35Å; N1344-S1483 PolarHBondContact OD1-N 2.86Å; T1481-S1483 PolarHBondContact O-N 3.45Å; S1483-I1485 PolarHBondContact O-N 3.1Å; S1483-L1486 PolarHBondContact O-N 3.15Å; S1483-S1487 PolarHBondContact O-N 2.92Å; S1483-S1487 PolarHBondContact O-OG 2.96Å; S1483-S1487 VanDerWaalsContact O-OG 3.13Å |
| 1484 | E | 95.7 | Very high | 89.2 | Confident | 82 Ų | 82 | 53 Ų | 53 | 38% | 0.383 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.7 | -36.2 | 176 | -68.5 | 160.9 | 100.4 | 0 | 0 | 112.8 | K1412 L1480 T1481 S1487 R1488 | K1412-E1484 IonicContact NZ-OE2 2.9Å; L1480-E1484 HydrophobicContact CB-CB 4.22Å; L1480-E1484 HydrophobicContact CD2-CB 4.08Å; T1481-E1484 VanDerWaalsContact CB-OE2 3.29Å; T1481-E1484 WeakPolarHBondContact CB-OE2 3.17Å; T1481-E1484 WeakPolarHBondContact CG2-OE2 3.42Å; T1481-E1484 PolarHBondContact N-OE2 2.87Å; T1481-E1484 PolarHBondContact O-N 2.81Å; T1481-E1484 WeakPolarHBondContact OG1-CG 3.34Å; T1481-E1484 PolarHBondContact OG1-N 3.07Å; T1481-E1484 VanDerWaalsContact OG1-N 3.12Å; T1481-E1484 PolarHBondContact OG1-OE2 3.47Å; E1484-S1487 PolarHBondContact O-N 2.92Å; E1484-R1488 VanDerWaalsContact O-CG 3.28Å; E1484-R1488 WeakPolarHBondContact O-CG 3.49Å; E1484-R1488 PolarHBondContact O-N 3Å; E1484-R1488 VanDerWaalsContact O-N 3.08Å |
| 1485 | I | 96.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 172.5 | -68.9 | 164.6 | 0 | 0 | 0 | 109.9 | A1340 V1415 Y1418 L1467 L1480 T1481 F1482 S1483 S1487 R1488 L1489 | A1340-I1485 HydrophobicContact CB-CG2 3.92Å; V1415-I1485 HydrophobicContact CG1-CD1 3.99Å; V1415-I1485 HydrophobicContact CG2-CD1 4.23Å; Y1418-I1485 HydrophobicContact CD1-CD1 4.04Å; Y1418-I1485 HydrophobicContact CE1-CD1 4.09Å; Y1418-I1485 HydrophobicContact CE1-CG2 3.7Å; L1467-I1485 HydrophobicContact CD2-CG1 4.22Å; L1467-I1485 HydrophobicContact CD2-CG2 4.38Å; L1480-I1485 HydrophobicContact CB-CD1 4.18Å; L1480-I1485 HydrophobicContact CB-CG1 3.76Å; L1480-I1485 HydrophobicContact CD1-CG1 3.77Å; L1480-I1485 HydrophobicContact CG-CG1 4.44Å; T1481-I1485 VanDerWaalsContact O-CG1 3.29Å; T1481-I1485 WeakPolarHBondContact O-CG1 3.27Å; T1481-I1485 PolarHBondContact O-N 2.86Å; F1482-I1485 HydrophobicContact CD1-CD1 4.14Å; F1482-I1485 HydrophobicContact CE1-CD1 4.49Å; F1482-I1485 PolarHBondContact O-N 3.31Å; S1483-I1485 PolarHBondContact O-N 3.1Å; I1485-S1487 PolarHBondContact O-N 2.93Å; I1485-R1488 PolarHBondContact O-N 3.49Å; I1485-L1489 HydrophobicContact CG2-CD1 3.8Å; I1485-L1489 HydrophobicContact CG2-CG 4.42Å; I1485-L1489 WeakPolarHBondContact O-CG 3.31Å; I1485-L1489 PolarHBondContact O-N 2.9Å |
| 1486 | L | 94 | Very high | 85.3 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 6% | 0.063 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62 | -42.1 | 176.7 | -76.7 | 172 | 0 | 0 | 0 | 112.6 | A1340 T1341 N1344 F1482 S1483 R1488 L1489 K1490 | A1340-L1486 HydrophobicContact CB-CD2 3.66Å; A1340-L1486 HydrophobicContact CB-CG 3.95Å; T1341-L1486 VanDerWaalsContact OG1-CD2 3.27Å; T1341-L1486 WeakPolarHBondContact OG1-CD2 3.2Å; N1344-L1486 HydrophobicContact CB-CD1 3.51Å; F1482-L1486 WeakPolarHBondContact O-CB 3.46Å; F1482-L1486 VanDerWaalsContact O-CG 3.27Å; F1482-L1486 WeakPolarHBondContact O-CG 3.13Å; F1482-L1486 PolarHBondContact O-N 3.04Å; S1483-L1486 PolarHBondContact O-N 3.15Å; L1486-R1488 VanDerWaalsContact C-N 3.34Å; L1486-R1488 PolarHBondContact O-N 2.69Å; L1486-L1489 PolarHBondContact O-N 3.21Å; L1486-K1490 WeakPolarHBondContact O-CB 3.49Å; L1486-K1490 VanDerWaalsContact O-CG 3.24Å; L1486-K1490 WeakPolarHBondContact O-CG 3.48Å; L1486-K1490 PolarHBondContact O-N 2.92Å |
| 1487 | S | 92.4 | Very high | 82.7 | Confident | 73 Ų | 73 | 58.4 Ų | 58.4 | 51% | 0.51 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 176 | -63.8 | 0 | 0 | 0 | 0 | 111.4 | S1483 E1484 I1485 S1491 | S1483-S1487 PolarHBondContact O-N 2.92Å; S1483-S1487 PolarHBondContact O-OG 2.96Å; S1483-S1487 VanDerWaalsContact O-OG 3.13Å; E1484-S1487 PolarHBondContact O-N 2.92Å; I1485-S1487 PolarHBondContact O-N 2.93Å; S1487-S1491 WeakPolarHBondContact O-CB 3.09Å; S1487-S1491 PolarHBondContact O-N 3.18Å; S1487-S1491 PolarHBondContact O-OG 2.96Å; S1487-S1491 VanDerWaalsContact O-OG 3.05Å |
| 1488 | R | 92.8 | Very high | 79.8 | Confident | 95 Ų | 95 | 64.3 Ų | 64.3 | 36% | 0.358 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 178.7 | -71.2 | 169 | -175.6 | -94.1 | 3 | 113.1 | I1463 L1467 M1470 E1484 I1485 L1486 S1491 F1492 | I1463-R1488 HydrophobicContact CD1-CB 4.39Å; L1467-R1488 HydrophobicContact CD2-CB 4.22Å; M1470-R1488 PolarHBondContact SD-NH1 2.76Å; E1484-R1488 VanDerWaalsContact O-CG 3.28Å; E1484-R1488 WeakPolarHBondContact O-CG 3.49Å; E1484-R1488 PolarHBondContact O-N 3Å; E1484-R1488 VanDerWaalsContact O-N 3.08Å; I1485-R1488 PolarHBondContact O-N 3.49Å; L1486-R1488 VanDerWaalsContact C-N 3.34Å; L1486-R1488 PolarHBondContact O-N 2.69Å; R1488-S1491 WeakPolarHBondContact CA-OG 3.47Å; R1488-S1491 PolarHBondContact O-OG 3.03Å; R1488-F1492 PolarHBondContact O-N 3.15Å |
| 1489 | L | 90.5 | Very high | 76.8 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.3 | -45.8 | 175.6 | -71.1 | 169.6 | 0 | 0 | 0 | 111.6 | A1336 I1337 A1340 L1464 L1467 I1485 L1486 F1492 T1493 | A1336-L1489 HydrophobicContact CB-CD1 4.12Å; A1336-L1489 HydrophobicContact CB-CD2 4.22Å; I1337-L1489 HydrophobicContact CD1-CB 4.21Å; I1337-L1489 HydrophobicContact CG1-CB 3.66Å; I1337-L1489 HydrophobicContact CG1-CD1 3.91Å; I1337-L1489 HydrophobicContact CG1-CG 4.27Å; A1340-L1489 HydrophobicContact CB-CD1 4.23Å; L1464-L1489 HydrophobicContact CD2-CD2 3.65Å; L1467-L1489 HydrophobicContact CD1-CD1 4.4Å; L1467-L1489 HydrophobicContact CD1-CD2 3.46Å; L1467-L1489 VanDerWaalsContact CD1-CD2 3.46Å; L1467-L1489 HydrophobicContact CD1-CG 3.69Å; I1485-L1489 HydrophobicContact CG2-CD1 3.8Å; I1485-L1489 HydrophobicContact CG2-CG 4.42Å; I1485-L1489 WeakPolarHBondContact O-CG 3.31Å; I1485-L1489 PolarHBondContact O-N 2.9Å; L1486-L1489 PolarHBondContact O-N 3.21Å; L1489-F1492 WeakPolarHBondContact O-CB 3.35Å; L1489-F1492 PolarHBondContact O-N 2.7Å; L1489-T1493 PolarHBondContact O-N 2.71Å; L1489-T1493 PolarHBondContact O-OG1 3.1Å |
| 1490 | K | 84.9 | Confident | 75.9 | Confident | 110 Ų | 110 | 71.8 Ų | 71.8 | 48% | 0.478 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64 | -43.5 | 179.1 | -74.3 | 176.8 | 178.8 | -179.3 | 0 | 111.7 | L1486 F1492 T1493 S1494 | L1486-K1490 WeakPolarHBondContact O-CB 3.49Å; L1486-K1490 VanDerWaalsContact O-CG 3.24Å; L1486-K1490 WeakPolarHBondContact O-CG 3.48Å; L1486-K1490 PolarHBondContact O-N 2.92Å; K1490-F1492 VanDerWaalsContact C-N 3.27Å; K1490-F1492 PolarHBondContact O-N 3.12Å; K1490-T1493 WeakPolarHBondContact CA-OG1 3.41Å; K1490-T1493 PolarHBondContact O-N 2.85Å; K1490-T1493 PolarHBondContact O-OG1 3.03Å; K1490-S1494 PolarHBondContact O-N 3.32Å; K1490-S1494 PolarHBondContact O-OG 3.23Å |
| 1491 | S | 81.5 | Confident | 74.9 | Confident | 66 Ų | 66 | 75.1 Ų | 75.1 | 46% | 0.462 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.1 | -39.3 | 175 | 56.5 | 0 | 0 | 0 | 0 | 112 | S1487 R1488 S1494 S1495 | S1487-S1491 WeakPolarHBondContact O-CB 3.09Å; S1487-S1491 PolarHBondContact O-N 3.18Å; S1487-S1491 PolarHBondContact O-OG 2.96Å; S1487-S1491 VanDerWaalsContact O-OG 3.05Å; R1488-S1491 WeakPolarHBondContact CA-OG 3.47Å; R1488-S1491 PolarHBondContact O-OG 3.03Å; S1491-S1494 PolarHBondContact O-N 3.15Å; S1491-S1495 PolarHBondContact O-N 3.17Å; S1491-S1495 PolarHBondContact O-OG 3.49Å |
| 1492 | F | 75.8 | Confident | 73.7 | Confident | 70 Ų | 70 | 76.5 Ų | 76.5 | 31% | 0.307 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.5 | -51.2 | 174.7 | -168 | -91.2 | 0 | 0 | 0 | 110.9 | I1333 P1461 I1463 R1488 L1489 K1490 S1494 S1495 S1496 | I1333-F1492 HydrophobicContact CD1-CD1 3.96Å; I1333-F1492 HydrophobicContact CD1-CE1 3.79Å; P1461-F1492 HydrophobicContact CB-CE1 4.07Å; P1461-F1492 HydrophobicContact CB-CZ 3.82Å; P1461-F1492 HydrophobicContact CG-CE1 4.33Å; I1463-F1492 HydrophobicContact CB-CD2 3.91Å; I1463-F1492 HydrophobicContact CB-CE2 4.25Å; I1463-F1492 HydrophobicContact CB-CG 4.23Å; I1463-F1492 HydrophobicContact CG1-CB 4.25Å; I1463-F1492 HydrophobicContact CG1-CD2 4.28Å; I1463-F1492 HydrophobicContact CG1-CG 4.33Å; I1463-F1492 HydrophobicContact CG2-CD1 4.12Å; I1463-F1492 HydrophobicContact CG2-CD2 4.02Å; I1463-F1492 HydrophobicContact CG2-CE1 4.3Å; I1463-F1492 HydrophobicContact CG2-CE2 4.2Å; I1463-F1492 HydrophobicContact CG2-CG 3.98Å; I1463-F1492 HydrophobicContact CG2-CZ 4.34Å; R1488-F1492 PolarHBondContact O-N 3.15Å; L1489-F1492 WeakPolarHBondContact O-CB 3.35Å; L1489-F1492 PolarHBondContact O-N 2.7Å; K1490-F1492 VanDerWaalsContact C-N 3.27Å; K1490-F1492 PolarHBondContact O-N 3.12Å; F1492-S1494 VanDerWaalsContact C-N 3.31Å; F1492-S1494 PolarHBondContact O-N 3.1Å; F1492-S1495 PolarHBondContact O-N 3.4Å; F1492-S1496 PolarHBondContact O-N 3.06Å; F1492-S1496 PolarHBondContact O-OG 3.26Å; F1492-S1496 VanDerWaalsContact O-OG 3.1Å |
| 1493 | T | 70.3 | Confident | 72.3 | Confident | 28 Ų | 28 | 80.8 Ų | 80.8 | 17% | 0.172 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -62.6 | -32.3 | 178 | 51.3 | 0 | 0 | 0 | 0 | 114.1 | I1333 I1337 L1489 K1490 S1496 L1497 | I1333-T1493 HydrophobicContact CG2-CG2 3.7Å; I1337-T1493 HydrophobicContact CD1-CG2 3.78Å; L1489-T1493 PolarHBondContact O-N 2.71Å; L1489-T1493 PolarHBondContact O-OG1 3.1Å; K1490-T1493 WeakPolarHBondContact CA-OG1 3.41Å; K1490-T1493 PolarHBondContact O-N 2.85Å; K1490-T1493 PolarHBondContact O-OG1 3.03Å; T1493-S1496 PolarHBondContact O-N 3.16Å; T1493-L1497 PolarHBondContact O-N 3.06Å |
| 1494 | S | 60 | Low | 70.9 | Confident | 73 Ų | 73 | 82 Ų | 82 | 51% | 0.51 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -72.6 | -34.6 | 175.6 | -63.5 | 0 | 0 | 0 | 0 | 112.7 | K1490 S1491 F1492 L1497 | K1490-S1494 PolarHBondContact O-N 3.32Å; K1490-S1494 PolarHBondContact O-OG 3.23Å; S1491-S1494 PolarHBondContact O-N 3.15Å; F1492-S1494 VanDerWaalsContact C-N 3.31Å; F1492-S1494 PolarHBondContact O-N 3.1Å; S1494-L1497 PolarHBondContact O-N 3.18Å |
| 1495 | S | 53.8 | Low | 69.3 | Low | 80 Ų | 80 | 82 Ų | 82 | 56% | 0.559 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -71.9 | -33.3 | 171.4 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | S1491 F1492 L1497 Y1498 | S1491-S1495 PolarHBondContact O-N 3.17Å; S1491-S1495 PolarHBondContact O-OG 3.49Å; F1492-S1495 PolarHBondContact O-N 3.4Å; S1495-L1497 PolarHBondContact O-N 3.47Å; S1495-Y1498 PolarHBondContact O-N 3.39Å |
| 1496 | S | 48.9 | Very low | 67.3 | Low | 52 Ų | 52 | 87.9 Ų | 87.9 | 36% | 0.364 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | 3.6 | 172.3 | -57.5 | 0 | 0 | 0 | 0 | 114.6 | F1492 T1493 | F1492-S1496 PolarHBondContact O-N 3.06Å; F1492-S1496 PolarHBondContact O-OG 3.26Å; F1492-S1496 VanDerWaalsContact O-OG 3.1Å; T1493-S1496 PolarHBondContact O-N 3.16Å |
| 1497 | L | 37.5 | Very low | 65.3 | Low | 144 Ų | 144 | 93.7 Ų | 93.7 | 75% | 0.754 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 9.3 | 170.7 | -88.7 | 160.1 | 0 | 0 | 0 | 112.6 | T1493 S1494 S1495 | T1493-L1497 PolarHBondContact O-N 3.06Å; S1494-L1497 PolarHBondContact O-N 3.18Å; S1495-L1497 PolarHBondContact O-N 3.47Å |
| 1498 | Y | 31.7 | Very low | 63 | Low | 219 Ų | 219 | 95.4 Ų | 95.4 | 86% | 0.859 | 49% | 0.491 | S | S | * | . | trans | -125.4 | 15.4 | 177 | -94.1 | -83.2 | 0 | 0 | 0 | 112.9 | S1495 | S1495-Y1498 PolarHBondContact O-N 3.39Š| ||
| 1499 | I | 28.7 | Very low | 60.3 | Low | 208 Ų | 208 | 95.5 Ų | 95.5 | 100% | 1.067 | 50% | 0.503 | S | S | * | . | trans | -135.4 | 0 | 174 | -54.1 | 179.5 | 0 | 0 | 0 | 107.5 |
Retrieved 1,499 of 1,499 residues in 1100 ms
(Link to these results)