| 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 | 41.8 | Very low | 66.7 | Low | 230 Ų | 230 | 123.1 Ų | 123.1 | 100% | 1.133 | 64% | 0.642 | S | S | * | * | 0 | 92.4 | 0 | -101.1 | 175.5 | 155.5 | 0 | 0 | 106.3 | L3 | M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.05Å | |||
| 2 | D | 51.5 | Low | 68.3 | Low | 158 Ų | 158 | 124 Ų | 124 | 85% | 0.845 | 64% | 0.641 | S | S | * | * | trans | -69.4 | 93.7 | 172.5 | -74.8 | -33.2 | 0 | 0 | 0 | 107.3 | K4 | D2-K4 PolarHBondContact O-N 2.98Š| ||
| 3 | L | 53.1 | Low | 69.4 | Low | 142 Ų | 142 | 118.8 Ų | 118.8 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | trans | -64.3 | 85.8 | 159.6 | -100.5 | 101.8 | 0 | 0 | 0 | 106.2 | M1 L5 | M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.05Å; L3-L5 HydrophobicContact CD2-CD1 4.22Å; L3-L5 PolarHBondContact O-N 2.97Å | ||
| 4 | K | 59.3 | Low | 70.5 | Confident | 193 Ų | 193 | 116.6 Ų | 116.6 | 84% | 0.839 | 62% | 0.62 | S | S | * | * | trans | -62.4 | 88.7 | 157.5 | -81.2 | -176.1 | 175.8 | 179.4 | 0 | 105.7 | D2 D6 | D2-K4 PolarHBondContact O-N 2.98Å; K4-D6 PolarHBondContact O-N 3.19Å | ||
| 5 | L | 60.2 | Low | 71.6 | Confident | 110 Ų | 110 | 115.3 Ų | 115.3 | 58% | 0.576 | 61% | 0.609 | S | S | * | * | trans | -60.1 | 111.6 | 170.6 | -140.5 | 82 | 0 | 0 | 0 | 105.8 | L3 A10 | L3-L5 HydrophobicContact CD2-CD1 4.22Å; L3-L5 PolarHBondContact O-N 2.97Å; L5-A10 HydrophobicContact CD2-CB 3.83Å | ||
| 6 | D | 73.7 | Confident | 72.8 | Confident | 89 Ų | 89 | 110.8 Ų | 110.8 | 48% | 0.476 | 59% | 0.59 | S | S | . | * | trans | -55.9 | 126.8 | 173.3 | 175.7 | 4 | 0 | 0 | 0 | 107.9 | K4 A8 T9 A10 | K4-D6 PolarHBondContact O-N 3.19Å; D6-A8 PolarHBondContact O-N 2.99Å; D6-A8 PolarHBondContact OD1-N 3.06Å; D6-A8 VanDerWaalsContact OD1-N 3.09Å; D6-T9 PolarHBondContact O-N 3.3Å; D6-A10 PolarHBondContact O-N 2.85Å | ||
| 7 | P | 77 | Confident | 73.8 | Confident | 103 Ų | 103 | 111.3 Ų | 111.3 | 67% | 0.669 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -47.8 | -32.8 | 176 | -23.4 | 24.6 | 0 | 0 | 0 | 113.5 | R11 | P7-R11 WeakPolarHBondContact O-CB 3.38Å; P7-R11 PolarHBondContact O-N 3.44Å |
| 8 | A | 80.3 | Confident | 74.7 | Confident | 50 Ų | 50 | 108.6 Ų | 108.6 | 41% | 0.413 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65 | -49 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D6 A10 R11 E12 | D6-A8 PolarHBondContact O-N 2.99Å; D6-A8 PolarHBondContact OD1-N 3.06Å; D6-A8 VanDerWaalsContact OD1-N 3.09Å; A8-A10 VanDerWaalsContact C-N 3.32Å; A8-A10 PolarHBondContact O-N 3.09Å; A8-R11 WeakPolarHBondContact O-CB 3.45Å; A8-R11 PolarHBondContact O-N 3.03Å; A8-E12 PolarHBondContact O-N 2.95Å |
| 9 | T | 80.2 | Confident | 75.5 | Confident | 73 Ų | 73 | 110 Ų | 110 | 45% | 0.448 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.1 | -36.9 | 177.2 | -42.4 | 0 | 0 | 0 | 0 | 111.7 | D6 R11 E12 A13 | D6-T9 PolarHBondContact O-N 3.3Å; T9-R11 VanDerWaalsContact C-N 3.33Å; T9-E12 PolarHBondContact O-N 3.48Å; T9-A13 WeakPolarHBondContact O-CB 3.18Å; T9-A13 PolarHBondContact O-N 2.86Å |
| 10 | A | 76.3 | Confident | 76.3 | Confident | 32 Ų | 32 | 112 Ų | 112 | 26% | 0.264 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61 | -43.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L5 D6 A8 A13 V14 | L5-A10 HydrophobicContact CD2-CB 3.83Å; D6-A10 PolarHBondContact O-N 2.85Å; A8-A10 VanDerWaalsContact C-N 3.32Å; A8-A10 PolarHBondContact O-N 3.09Å; A10-A13 PolarHBondContact O-N 3.2Å; A10-V14 VanDerWaalsContact O-CG2 3.3Å; A10-V14 WeakPolarHBondContact O-CG2 3.49Å; A10-V14 PolarHBondContact O-N 3.03Å |
| 11 | R | 80.9 | Confident | 76.9 | Confident | 174 Ų | 174 | 111.5 Ų | 111.5 | 66% | 0.657 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.7 | -46.1 | 178.2 | -173.7 | 177.7 | 178.7 | 159.4 | 2.6 | 112.1 | P7 A8 T9 A13 V14 E15 | P7-R11 WeakPolarHBondContact O-CB 3.38Å; P7-R11 PolarHBondContact O-N 3.44Å; A8-R11 WeakPolarHBondContact O-CB 3.45Å; A8-R11 PolarHBondContact O-N 3.03Å; T9-R11 VanDerWaalsContact C-N 3.33Å; R11-A13 VanDerWaalsContact C-N 3.31Å; R11-A13 PolarHBondContact O-N 3.46Å; R11-V14 PolarHBondContact O-N 3.42Å; R11-E15 IonicContact CZ-OE1 3.41Å; R11-E15 IonicContact NE-OE1 2.88Å; R11-E15 PolarHBondContact NE-OE1 2.82Å; R11-E15 IonicContact NH2-OE1 3.48Å; R11-E15 WeakPolarHBondContact O-CG 3.34Å; R11-E15 PolarHBondContact O-N 2.96Å |
| 12 | E | 85 | Confident | 79.2 | Confident | 134 Ų | 134 | 106.7 Ų | 106.7 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.1 | -40.7 | 175.2 | -75.5 | -178.7 | 168.1 | 0 | 0 | 112 | A8 T9 V14 E15 S16 | A8-E12 PolarHBondContact O-N 2.95Å; T9-E12 PolarHBondContact O-N 3.48Å; E12-V14 PolarHBondContact O-N 3.42Å; E12-E15 PolarHBondContact O-N 3.49Å; E12-S16 WeakPolarHBondContact O-CB 3.3Å; E12-S16 PolarHBondContact O-N 2.8Å |
| 13 | A | 83.3 | Confident | 81 | Confident | 56 Ų | 56 | 102.8 Ų | 102.8 | 46% | 0.463 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T9 A10 R11 F17 | T9-A13 WeakPolarHBondContact O-CB 3.18Å; T9-A13 PolarHBondContact O-N 2.86Å; A10-A13 PolarHBondContact O-N 3.2Å; R11-A13 VanDerWaalsContact C-N 3.31Å; R11-A13 PolarHBondContact O-N 3.46Å; A13-F17 WeakPolarHBondContact O-CB 3.47Å; A13-F17 PolarHBondContact O-N 2.97Å |
| 14 | V | 84.1 | Confident | 82.7 | Confident | 88 Ų | 88 | 101.9 Ų | 101.9 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.1 | -47 | 175.2 | 170.9 | 0 | 0 | 0 | 0 | 111 | A10 R11 E12 S16 F17 C18 | A10-V14 VanDerWaalsContact O-CG2 3.3Å; A10-V14 WeakPolarHBondContact O-CG2 3.49Å; A10-V14 PolarHBondContact O-N 3.03Å; R11-V14 PolarHBondContact O-N 3.42Å; E12-V14 PolarHBondContact O-N 3.42Å; V14-S16 VanDerWaalsContact C-N 3.35Å; V14-S16 PolarHBondContact O-N 2.96Å; V14-F17 WeakPolarHBondContact O-CB 3.44Å; V14-F17 PolarHBondContact O-N 3.44Å; V14-C18 PolarHBondContact O-N 3.04Å; V14-C18 PolarHBondContact O-SG 3.43Å |
| 15 | E | 88.1 | Confident | 84.1 | Confident | 97 Ų | 97 | 97.2 Ų | 97.2 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 178 | -73.8 | 176.6 | -169.5 | 0 | 0 | 111.3 | R11 E12 F17 C18 Q19 | R11-E15 IonicContact CZ-OE1 3.41Å; R11-E15 IonicContact NE-OE1 2.88Å; R11-E15 PolarHBondContact NE-OE1 2.82Å; R11-E15 IonicContact NH2-OE1 3.48Å; R11-E15 WeakPolarHBondContact O-CG 3.34Å; R11-E15 PolarHBondContact O-N 2.96Å; E12-E15 PolarHBondContact O-N 3.49Å; E15-F17 PolarHBondContact O-N 3.42Å; E15-C18 PolarHBondContact O-N 3.5Å; E15-Q19 WeakPolarHBondContact O-CG 3.34Å; E15-Q19 PolarHBondContact O-N 2.97Å |
| 16 | S | 89.5 | Confident | 85.6 | Confident | 44 Ų | 44 | 97 Ų | 97 | 31% | 0.308 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 173.3 | -179.2 | 0 | 0 | 0 | 0 | 112.5 | E12 V14 R20 | E12-S16 WeakPolarHBondContact O-CB 3.3Å; E12-S16 PolarHBondContact O-N 2.8Å; V14-S16 VanDerWaalsContact C-N 3.35Å; V14-S16 PolarHBondContact O-N 2.96Å; S16-R20 WeakPolarHBondContact O-CG 3.5Å; S16-R20 PolarHBondContact O-N 2.89Å; S16-R20 PolarHBondContact OG-NH1 3.19Å |
| 17 | F | 89.7 | Confident | 86.3 | Confident | 119 Ų | 119 | 99.1 Ų | 99.1 | 52% | 0.522 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.6 | -45.6 | 174.4 | 175 | -94.6 | 0 | 0 | 0 | 111.8 | A13 V14 E15 Q19 R20 F21 | A13-F17 WeakPolarHBondContact O-CB 3.47Å; A13-F17 PolarHBondContact O-N 2.97Å; V14-F17 WeakPolarHBondContact O-CB 3.44Å; V14-F17 PolarHBondContact O-N 3.44Å; E15-F17 PolarHBondContact O-N 3.42Å; F17-Q19 VanDerWaalsContact C-N 3.34Å; F17-Q19 PolarHBondContact O-N 3.31Å; F17-R20 PolarHBondContact O-N 2.93Å; F17-F21 WeakPolarHBondContact O-CB 3.4Å; F17-F21 PolarHBondContact O-N 3.39Å |
| 18 | C | 90 | Very high | 86.8 | Confident | 63 Ų | 63 | 100 Ų | 100 | 43% | 0.426 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 177.3 | -72.7 | 0 | 0 | 0 | 0 | 111.8 | V14 E15 F21 Q22 | V14-C18 PolarHBondContact O-N 3.04Å; V14-C18 PolarHBondContact O-SG 3.43Å; E15-C18 PolarHBondContact O-N 3.5Å; C18-F21 PolarHBondContact O-N 3.24Å; C18-Q22 PolarHBondContact O-N 3.33Å |
| 19 | Q | 90.4 | Very high | 87.2 | Confident | 135 Ų | 135 | 102.3 Ų | 102.3 | 63% | 0.631 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.7 | -45.5 | 175.3 | -75.5 | -179.8 | -7 | 0 | 0 | 112.2 | E15 F17 F21 Q22 S23 | E15-Q19 WeakPolarHBondContact O-CG 3.34Å; E15-Q19 PolarHBondContact O-N 2.97Å; F17-Q19 VanDerWaalsContact C-N 3.34Å; F17-Q19 PolarHBondContact O-N 3.31Å; Q19-F21 VanDerWaalsContact C-N 3.31Å; Q19-F21 PolarHBondContact O-N 3.32Å; Q19-Q22 PolarHBondContact O-N 2.85Å; Q19-S23 PolarHBondContact O-N 2.85Å |
| 20 | R | 92.2 | Very high | 87.7 | Confident | 150 Ų | 150 | 102.3 Ų | 102.3 | 57% | 0.566 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.3 | -40.2 | 175.2 | -75.7 | -169.4 | -64.2 | -98.6 | -6.3 | 112 | S16 F17 S23 F24 | S16-R20 WeakPolarHBondContact O-CG 3.5Å; S16-R20 PolarHBondContact O-N 2.89Å; S16-R20 PolarHBondContact OG-NH1 3.19Å; F17-R20 PolarHBondContact O-N 2.93Å; R20-S23 PolarHBondContact O-N 3.15Å; R20-F24 WeakPolarHBondContact O-CB 3.43Å; R20-F24 PolarHBondContact O-N 3.44Å |
| 21 | F | 88.3 | Confident | 88.2 | Confident | 102 Ų | 102 | 107.2 Ų | 107.2 | 45% | 0.447 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67 | -42.8 | 178.8 | -173 | -96.8 | 0 | 0 | 0 | 112 | F17 C18 Q19 F24 Q25 | F17-F21 WeakPolarHBondContact O-CB 3.4Å; F17-F21 PolarHBondContact O-N 3.39Å; C18-F21 PolarHBondContact O-N 3.24Å; Q19-F21 VanDerWaalsContact C-N 3.31Å; Q19-F21 PolarHBondContact O-N 3.32Å; F21-F24 PolarHBondContact O-N 3.06Å; F21-Q25 HydrophobicContact CD1-CG 4.19Å; F21-Q25 HydrophobicContact CE1-CG 3.8Å; F21-Q25 HydrophobicContact CZ-CG 4.21Å; F21-Q25 PolarHBondContact O-N 3.45Å |
| 22 | Q | 90.1 | Very high | 88.2 | Confident | 128 Ų | 128 | 102.3 Ų | 102.3 | 60% | 0.598 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.8 | -44.3 | 173.7 | -82.3 | 179.5 | -25.3 | 0 | 0 | 111.9 | C18 Q19 F24 Q25 V26 | C18-Q22 PolarHBondContact O-N 3.33Å; Q19-Q22 PolarHBondContact O-N 2.85Å; Q22-F24 VanDerWaalsContact C-N 3.3Å; Q22-F24 PolarHBondContact O-N 3.5Å; Q22-Q25 PolarHBondContact O-N 2.97Å; Q22-V26 WeakPolarHBondContact O-CG2 3.47Å; Q22-V26 PolarHBondContact O-N 3.41Å |
| 23 | S | 89.1 | Confident | 88.3 | Confident | 77 Ų | 77 | 101.3 Ų | 101.3 | 54% | 0.538 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 175.1 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | Q19 R20 V26 E27 | Q19-S23 PolarHBondContact O-N 2.85Å; R20-S23 PolarHBondContact O-N 3.15Å; S23-V26 PolarHBondContact O-N 3.28Å; S23-E27 PolarHBondContact O-N 2.88Å; S23-E27 VanDerWaalsContact O-N 3.15Å |
| 24 | F | 89.6 | Confident | 88.5 | Confident | 122 Ų | 122 | 105.9 Ų | 105.9 | 54% | 0.535 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 176.5 | 175.6 | -98.9 | 0 | 0 | 0 | 112.5 | R20 F21 Q22 V26 E27 Y28 | R20-F24 WeakPolarHBondContact O-CB 3.43Å; R20-F24 PolarHBondContact O-N 3.44Å; F21-F24 PolarHBondContact O-N 3.06Å; Q22-F24 VanDerWaalsContact C-N 3.3Å; Q22-F24 PolarHBondContact O-N 3.5Å; F24-V26 PolarHBondContact O-N 3.44Å; F24-E27 PolarHBondContact O-N 2.91Å; F24-Y28 VanDerWaalsContact O-CB 3.31Å; F24-Y28 WeakPolarHBondContact O-CB 3.45Å; F24-Y28 PolarHBondContact O-N 3.49Å |
| 25 | Q | 88.9 | Confident | 88.5 | Confident | 96 Ų | 96 | 105.5 Ų | 105.5 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 175.9 | -79.6 | -162.4 | -61.3 | 0 | 0 | 111.8 | F21 Q22 E27 Y28 D29 | F21-Q25 HydrophobicContact CD1-CG 4.19Å; F21-Q25 HydrophobicContact CE1-CG 3.8Å; F21-Q25 HydrophobicContact CZ-CG 4.21Å; F21-Q25 PolarHBondContact O-N 3.45Å; Q22-Q25 PolarHBondContact O-N 2.97Å; Q25-E27 VanDerWaalsContact C-N 3.33Å; Q25-E27 PolarHBondContact O-N 3.12Å; Q25-Y28 PolarHBondContact O-N 3.09Å; Q25-D29 WeakPolarHBondContact O-CB 3.31Å; Q25-D29 VanDerWaalsContact O-CG 3.29Å; Q25-D29 PolarHBondContact O-N 2.95Å |
| 26 | V | 90.6 | Very high | 88.2 | Confident | 106 Ų | 106 | 104.1 Ų | 104.1 | 64% | 0.642 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.8 | -43.2 | 177.5 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | Q22 S23 F24 D29 D30 | Q22-V26 WeakPolarHBondContact O-CG2 3.47Å; Q22-V26 PolarHBondContact O-N 3.41Å; S23-V26 PolarHBondContact O-N 3.28Å; F24-V26 PolarHBondContact O-N 3.44Å; V26-D29 PolarHBondContact O-N 3.22Å; V26-D30 PolarHBondContact O-N 3.27Å; V26-D30 VanDerWaalsContact O-N 3.09Å |
| 27 | E | 88.6 | Confident | 87.9 | Confident | 133 Ų | 133 | 107 Ų | 107 | 62% | 0.621 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.5 | -38.4 | 177.8 | -169.1 | 175.6 | -170.3 | 0 | 0 | 112.3 | S23 F24 Q25 D30 Y31 | S23-E27 PolarHBondContact O-N 2.88Å; S23-E27 VanDerWaalsContact O-N 3.15Å; F24-E27 PolarHBondContact O-N 2.91Å; Q25-E27 VanDerWaalsContact C-N 3.33Å; Q25-E27 PolarHBondContact O-N 3.12Å; E27-D30 PolarHBondContact O-N 3Å; E27-Y31 PolarHBondContact O-N 2.76Å |
| 28 | Y | 87 | Confident | 87.5 | Confident | 121 Ų | 121 | 105.5 Ų | 105.5 | 48% | 0.475 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.5 | -43.2 | 175.4 | -178.3 | -97.1 | 0 | 0 | 0 | 111.9 | F24 Q25 Y31 I32 | F24-Y28 VanDerWaalsContact O-CB 3.31Å; F24-Y28 WeakPolarHBondContact O-CB 3.45Å; F24-Y28 PolarHBondContact O-N 3.49Å; Q25-Y28 PolarHBondContact O-N 3.09Å; Y28-Y31 WeakPolarHBondContact O-CB 3.46Å; Y28-Y31 PolarHBondContact O-N 2.9Å; Y28-I32 HydrophobicContact CD1-CG1 4.15Å; Y28-I32 HydrophobicContact CE1-CD1 4.32Å; Y28-I32 HydrophobicContact CE1-CG1 3.73Å; Y28-I32 HydrophobicContact CE2-CD1 4.45Å; Y28-I32 HydrophobicContact CE2-CG1 4.41Å; Y28-I32 WeakPolarHBondContact O-CG1 3.37Å; Y28-I32 PolarHBondContact O-N 3.14Å |
| 29 | D | 88.7 | Confident | 87.1 | Confident | 99 Ų | 99 | 105.6 Ų | 105.6 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 178 | -71 | -21.5 | 0 | 0 | 0 | 111.3 | Q25 V26 Y31 I32 E33 | Q25-D29 WeakPolarHBondContact O-CB 3.31Å; Q25-D29 VanDerWaalsContact O-CG 3.29Å; Q25-D29 PolarHBondContact O-N 2.95Å; V26-D29 PolarHBondContact O-N 3.22Å; D29-Y31 PolarHBondContact O-N 3.31Å; D29-I32 PolarHBondContact O-N 3.48Å; D29-E33 PolarHBondContact O-N 2.85Å |
| 30 | D | 90.5 | Very high | 86.7 | Confident | 73 Ų | 73 | 106.5 Ų | 106.5 | 39% | 0.39 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -42.6 | 173 | -177.9 | 70.7 | 0 | 0 | 0 | 111.8 | V26 E27 E33 R34 | V26-D30 PolarHBondContact O-N 3.27Å; V26-D30 VanDerWaalsContact O-N 3.09Å; E27-D30 PolarHBondContact O-N 3Å; D30-E33 PolarHBondContact O-N 3.47Å; D30-R34 WeakPolarHBondContact O-CG 3.49Å; D30-R34 PolarHBondContact O-N 3.34Å; D30-R34 IonicContact OD1-NE 3.12Å; D30-R34 IonicContact OD1-NH2 3.05Å; D30-R34 IonicContact OD2-CZ 3.91Å; D30-R34 IonicContact OD2-NE 3.35Å; D30-R34 PolarHBondContact OD2-NE 3.29Å; D30-R34 IonicContact OD2-NH2 3.88Å; D30-R34 PolarHBondContact OD2-NH2 2.96Å; D30-R34 VanDerWaalsContact OD2-NH2 3.12Å |
| 31 | Y | 87 | Confident | 86 | Confident | 135 Ų | 135 | 106.8 Ų | 106.8 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 175.6 | 170 | -98.4 | 0 | 0 | 0 | 112.2 | E27 Y28 D29 E33 R34 L35 | E27-Y31 PolarHBondContact O-N 2.76Å; Y28-Y31 WeakPolarHBondContact O-CB 3.46Å; Y28-Y31 PolarHBondContact O-N 2.9Å; D29-Y31 PolarHBondContact O-N 3.31Å; Y31-E33 VanDerWaalsContact C-N 3.32Å; Y31-E33 PolarHBondContact O-N 2.67Å; Y31-R34 PolarHBondContact O-N 2.9Å; Y31-L35 HydrophobicContact CE1-CD2 4.34Å; Y31-L35 WeakPolarHBondContact O-CB 3.44Å; Y31-L35 PolarHBondContact O-N 2.96Å |
| 32 | I | 82.1 | Confident | 85.6 | Confident | 70 Ų | 70 | 106 Ų | 106 | 36% | 0.359 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 178.3 | -68.8 | -63.2 | 0 | 0 | 0 | 110.8 | Y28 D29 L35 S36 | Y28-I32 HydrophobicContact CD1-CG1 4.15Å; Y28-I32 HydrophobicContact CE1-CD1 4.32Å; Y28-I32 HydrophobicContact CE1-CG1 3.73Å; Y28-I32 HydrophobicContact CE2-CD1 4.45Å; Y28-I32 HydrophobicContact CE2-CG1 4.41Å; Y28-I32 WeakPolarHBondContact O-CG1 3.37Å; Y28-I32 PolarHBondContact O-N 3.14Å; D29-I32 PolarHBondContact O-N 3.48Å; I32-L35 PolarHBondContact O-N 3.41Å; I32-S36 WeakPolarHBondContact O-CB 3.36Å; I32-S36 PolarHBondContact O-N 3.38Å |
| 33 | E | 86.1 | Confident | 85.2 | Confident | 113 Ų | 113 | 103.3 Ų | 103.3 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | 176.5 | -173.9 | 164.6 | -177.2 | 0 | 0 | 111.6 | D29 D30 Y31 L35 S36 Q37 | D29-E33 PolarHBondContact O-N 2.85Å; D30-E33 PolarHBondContact O-N 3.47Å; Y31-E33 VanDerWaalsContact C-N 3.32Å; Y31-E33 PolarHBondContact O-N 2.67Å; E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 2.97Å; E33-S36 WeakPolarHBondContact O-CB 3.44Å; E33-S36 PolarHBondContact O-N 2.91Å; E33-S36 VanDerWaalsContact O-N 3.14Å; E33-S36 PolarHBondContact O-OG 3.26Å; E33-Q37 WeakPolarHBondContact O-CG 3.36Å; E33-Q37 PolarHBondContact O-N 3.48Å |
| 34 | R | 88.6 | Confident | 84.8 | Confident | 153 Ų | 153 | 103.4 Ų | 103.4 | 58% | 0.577 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60 | -42.7 | 175.4 | -69.9 | 178 | -168 | -120.8 | 1.3 | 112.2 | D30 Y31 S36 Q37 V38 | D30-R34 WeakPolarHBondContact O-CG 3.49Å; D30-R34 PolarHBondContact O-N 3.34Å; D30-R34 IonicContact OD1-NE 3.12Å; D30-R34 IonicContact OD1-NH2 3.05Å; D30-R34 IonicContact OD2-CZ 3.91Å; D30-R34 IonicContact OD2-NE 3.35Å; D30-R34 PolarHBondContact OD2-NE 3.29Å; D30-R34 IonicContact OD2-NH2 3.88Å; D30-R34 PolarHBondContact OD2-NH2 2.96Å; D30-R34 VanDerWaalsContact OD2-NH2 3.12Å; Y31-R34 PolarHBondContact O-N 2.9Å; R34-S36 VanDerWaalsContact C-N 3.3Å; R34-S36 PolarHBondContact O-N 3.39Å; R34-Q37 PolarHBondContact O-N 2.96Å; R34-V38 WeakPolarHBondContact O-CG2 3.41Å; R34-V38 PolarHBondContact O-N 3.32Å |
| 35 | L | 84.2 | Confident | 84.4 | Confident | 80 Ų | 80 | 99.2 Ų | 99.2 | 42% | 0.419 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 176.5 | -171.3 | 70.8 | 0 | 0 | 0 | 111.1 | Y31 I32 E33 V38 T39 | Y31-L35 HydrophobicContact CE1-CD2 4.34Å; Y31-L35 WeakPolarHBondContact O-CB 3.44Å; Y31-L35 PolarHBondContact O-N 2.96Å; I32-L35 PolarHBondContact O-N 3.41Å; E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 2.97Å; L35-V38 PolarHBondContact O-N 2.68Å; L35-T39 VanDerWaalsContact O-CB 3.28Å; L35-T39 WeakPolarHBondContact O-CB 3.04Å; L35-T39 PolarHBondContact O-N 3.26Å; L35-T39 PolarHBondContact O-OG1 3.45Å |
| 36 | S | 81.9 | Confident | 84.1 | Confident | 68 Ų | 68 | 102.9 Ų | 102.9 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 176 | 85.4 | 0 | 0 | 0 | 0 | 111.9 | I32 E33 R34 T39 K40 | I32-S36 WeakPolarHBondContact O-CB 3.36Å; I32-S36 PolarHBondContact O-N 3.38Å; E33-S36 WeakPolarHBondContact O-CB 3.44Å; E33-S36 PolarHBondContact O-N 2.91Å; E33-S36 VanDerWaalsContact O-N 3.14Å; E33-S36 PolarHBondContact O-OG 3.26Å; R34-S36 VanDerWaalsContact C-N 3.3Å; R34-S36 PolarHBondContact O-N 3.39Å; S36-T39 PolarHBondContact O-N 3.35Å; S36-K40 PolarHBondContact O-N 3.44Å |
| 37 | Q | 83.1 | Confident | 83.9 | Confident | 105 Ų | 105 | 105.3 Ų | 105.3 | 49% | 0.491 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -45.3 | 176.9 | -69.5 | -173.1 | 19.7 | 0 | 0 | 111.2 | E33 R34 K40 Y41 | E33-Q37 WeakPolarHBondContact O-CG 3.36Å; E33-Q37 PolarHBondContact O-N 3.48Å; R34-Q37 PolarHBondContact O-N 2.96Å; Q37-K40 WeakPolarHBondContact O-CB 3.38Å; Q37-K40 PolarHBondContact O-N 2.94Å; Q37-Y41 WeakPolarHBondContact O-CD2 3.16Å; Q37-Y41 WeakPolarHBondContact O-CE2 3.28Å |
| 38 | V | 79.7 | Confident | 83.6 | Confident | 87 Ų | 87 | 104.9 Ų | 104.9 | 53% | 0.527 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 175.7 | 173.6 | 0 | 0 | 0 | 0 | 111 | R34 L35 K40 Y41 Q42 | R34-V38 WeakPolarHBondContact O-CG2 3.41Å; R34-V38 PolarHBondContact O-N 3.32Å; L35-V38 PolarHBondContact O-N 2.68Å; V38-K40 VanDerWaalsContact C-N 3.28Å; V38-K40 PolarHBondContact O-N 2.95Å; V38-Y41 PolarHBondContact O-N 3.21Å; V38-Q42 PolarHBondContact O-N 2.88Å |
| 39 | T | 82.2 | Confident | 83.5 | Confident | 64 Ų | 64 | 103.9 Ų | 103.9 | 39% | 0.393 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -32.4 | -179.9 | -55.9 | 0 | 0 | 0 | 0 | 111.9 | L35 S36 Y41 Q42 P43 | L35-T39 VanDerWaalsContact O-CB 3.28Å; L35-T39 WeakPolarHBondContact O-CB 3.04Å; L35-T39 PolarHBondContact O-N 3.26Å; L35-T39 PolarHBondContact O-OG1 3.45Å; S36-T39 PolarHBondContact O-N 3.35Å; T39-Y41 VanDerWaalsContact C-N 3.27Å; T39-Y41 PolarHBondContact O-N 3.32Å; T39-Q42 PolarHBondContact O-N 3.36Å; T39-P43 WeakPolarHBondContact O-CD 3.37Å |
| 40 | K | 82.7 | Confident | 83.4 | Confident | 154 Ų | 154 | 102.1 Ų | 102.1 | 67% | 0.67 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59 | -34.8 | 175.4 | -173 | -179.2 | 178.3 | -179.4 | 0 | 113.1 | S36 Q37 V38 | S36-K40 PolarHBondContact O-N 3.44Å; Q37-K40 WeakPolarHBondContact O-CB 3.38Å; Q37-K40 PolarHBondContact O-N 2.94Å; V38-K40 VanDerWaalsContact C-N 3.28Å; V38-K40 PolarHBondContact O-N 2.95Å |
| 41 | Y | 76.7 | Confident | 83.2 | Confident | 157 Ų | 157 | 103.8 Ų | 103.8 | 62% | 0.616 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -87.9 | -17.7 | -179.9 | -60.6 | -71.1 | 0 | 0 | 0 | 113.8 | Q37 V38 T39 T44 G45 | Q37-Y41 WeakPolarHBondContact O-CD2 3.16Å; Q37-Y41 WeakPolarHBondContact O-CE2 3.28Å; V38-Y41 PolarHBondContact O-N 3.21Å; T39-Y41 VanDerWaalsContact C-N 3.27Å; T39-Y41 PolarHBondContact O-N 3.32Å; Y41-T44 PolarHBondContact O-N 3.39Å; Y41-G45 PolarHBondContact O-N 3.25Å |
| 42 | Q | 80.9 | Confident | 83.2 | Confident | 86 Ų | 86 | 102.9 Ų | 102.9 | 40% | 0.402 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.2 | -44.4 | -179.5 | -73 | -171.9 | 1.9 | 0 | 0 | 114.3 | V38 T39 T44 G45 R46 | V38-Q42 PolarHBondContact O-N 2.88Å; T39-Q42 PolarHBondContact O-N 3.36Å; Q42-T44 VanDerWaalsContact C-N 3.33Å; Q42-T44 PolarHBondContact O-N 2.91Å; Q42-G45 PolarHBondContact O-N 3.45Å; Q42-R46 WeakPolarHBondContact O-CG 3.31Å; Q42-R46 PolarHBondContact O-N 3.22Å |
| 43 | P | 81.8 | Confident | 83.5 | Confident | 71 Ų | 71 | 107.8 Ų | 107.8 | 46% | 0.461 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 178.3 | -22.9 | 32.4 | 0 | 0 | 0 | 112.3 | T39 R46 K47 | T39-P43 WeakPolarHBondContact O-CD 3.37Å; P43-R46 PolarHBondContact O-N 3.44Å; P43-K47 WeakPolarHBondContact O-CB 3.4Å; P43-K47 WeakPolarHBondContact O-CG 3.32Å; P43-K47 PolarHBondContact O-N 3.46Å |
| 44 | T | 79.7 | Confident | 83.4 | Confident | 78 Ų | 78 | 107.2 Ų | 107.2 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -46.3 | 178 | -52.4 | 0 | 0 | 0 | 0 | 110.7 | Y41 Q42 R46 K47 M48 | Y41-T44 PolarHBondContact O-N 3.39Å; Q42-T44 VanDerWaalsContact C-N 3.33Å; Q42-T44 PolarHBondContact O-N 2.91Å; T44-R46 PolarHBondContact O-N 2.96Å; T44-K47 PolarHBondContact O-N 3.45Å; T44-M48 HydrophobicContact CG2-SD 4.13Å; T44-M48 PolarHBondContact O-N 2.85Å |
| 45 | G | 81.6 | Confident | 83.4 | Confident | 34 Ų | 34 | 103.8 Ų | 103.8 | 35% | 0.351 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.7 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y41 Q42 K47 M48 V49 | Y41-G45 PolarHBondContact O-N 3.25Å; Q42-G45 PolarHBondContact O-N 3.45Å; G45-K47 PolarHBondContact O-N 2.89Å; G45-M48 PolarHBondContact O-N 3.26Å; G45-V49 VanDerWaalsContact O-CG2 3.31Å; G45-V49 WeakPolarHBondContact O-CG2 3.39Å; G45-V49 PolarHBondContact O-N 3.38Å |
| 46 | R | 82.8 | Confident | 83.7 | Confident | 173 Ų | 173 | 105 Ų | 105 | 65% | 0.653 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -40.5 | 175.8 | -71.7 | -176.1 | -148.3 | -146.7 | 7 | 112.3 | Q42 P43 T44 A50 | Q42-R46 WeakPolarHBondContact O-CG 3.31Å; Q42-R46 PolarHBondContact O-N 3.22Å; P43-R46 PolarHBondContact O-N 3.44Å; T44-R46 PolarHBondContact O-N 2.96Å; R46-A50 VanDerWaalsContact O-CB 3.26Å; R46-A50 WeakPolarHBondContact O-CB 3.35Å; R46-A50 PolarHBondContact O-N 2.89Å |
| 47 | K | 85.4 | Confident | 83.9 | Confident | 157 Ų | 157 | 107.7 Ų | 107.7 | 68% | 0.683 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.4 | -46.3 | 175.7 | -76.4 | 177.1 | -178.7 | -179.3 | 0 | 111.4 | P43 T44 G45 A50 H51 | P43-K47 WeakPolarHBondContact O-CB 3.4Å; P43-K47 WeakPolarHBondContact O-CG 3.32Å; P43-K47 PolarHBondContact O-N 3.46Å; T44-K47 PolarHBondContact O-N 3.45Å; G45-K47 PolarHBondContact O-N 2.89Å; K47-A50 PolarHBondContact O-N 3.02Å; K47-H51 WeakPolarHBondContact O-CB 3.36Å; K47-H51 PolarHBondContact O-N 3.36Å |
| 48 | M | 83.8 | Confident | 83.9 | Confident | 125 Ų | 125 | 107.6 Ų | 107.6 | 62% | 0.616 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.1 | -46.1 | 175.9 | -86.4 | 159.2 | 65.6 | 0 | 0 | 112 | T44 G45 A50 H51 Q52 | T44-M48 HydrophobicContact CG2-SD 4.13Å; T44-M48 PolarHBondContact O-N 2.85Å; G45-M48 PolarHBondContact O-N 3.26Å; M48-A50 VanDerWaalsContact C-N 3.34Å; M48-A50 PolarHBondContact O-N 3.45Å; M48-H51 PolarHBondContact O-N 3.33Å; M48-Q52 WeakPolarHBondContact O-CB 3.41Å; M48-Q52 WeakPolarHBondContact O-CG 3.41Å; M48-Q52 PolarHBondContact O-N 2.89Å |
| 49 | V | 83.8 | Confident | 84 | Confident | 100 Ų | 100 | 108.4 Ų | 108.4 | 61% | 0.606 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.9 | -40.8 | 176.5 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | G45 R53 | G45-V49 VanDerWaalsContact O-CG2 3.31Å; G45-V49 WeakPolarHBondContact O-CG2 3.39Å; G45-V49 PolarHBondContact O-N 3.38Å; V49-R53 WeakPolarHBondContact O-CB 3.29Å; V49-R53 PolarHBondContact O-N 3.44Å |
| 50 | A | 86.1 | Confident | 84.1 | Confident | 62 Ų | 62 | 109.3 Ų | 109.3 | 51% | 0.512 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R46 K47 M48 H54 | R46-A50 VanDerWaalsContact O-CB 3.26Å; R46-A50 WeakPolarHBondContact O-CB 3.35Å; R46-A50 PolarHBondContact O-N 2.89Å; K47-A50 PolarHBondContact O-N 3.02Å; M48-A50 VanDerWaalsContact C-N 3.34Å; M48-A50 PolarHBondContact O-N 3.45Å; A50-H54 PolarHBondContact O-N 3.05Å |
| 51 | H | 86.9 | Confident | 83.9 | Confident | 107 Ų | 107 | 108.7 Ų | 108.7 | 50% | 0.495 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.4 | -51.6 | 175.7 | 179.9 | 60.9 | 0 | 0 | 0 | 111.6 | K47 M48 R53 H54 E55 | K47-H51 WeakPolarHBondContact O-CB 3.36Å; K47-H51 PolarHBondContact O-N 3.36Å; M48-H51 PolarHBondContact O-N 3.33Å; H51-R53 VanDerWaalsContact C-N 3.26Å; H51-R53 PolarHBondContact O-N 2.92Å; H51-H54 WeakPolarHBondContact O-CA 3.48Å; H51-H54 VanDerWaalsContact O-CB 3.29Å; H51-H54 WeakPolarHBondContact O-CB 3.26Å; H51-H54 PolarHBondContact O-N 3.26Å; H51-E55 IonicContact CD2-OE2 3.58Å; H51-E55 IonicContact CE1-OE1 3.71Å; H51-E55 IonicContact NE2-OE1 2.76Å; H51-E55 PolarHBondContact NE2-OE1 2.9Å; H51-E55 IonicContact NE2-OE2 3.71Å; H51-E55 PolarHBondContact O-N 3.31Å |
| 52 | Q | 87.8 | Confident | 83.8 | Confident | 117 Ų | 117 | 105.8 Ų | 105.8 | 55% | 0.547 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -57.3 | -39.1 | 175.6 | -75 | -65 | -46.2 | 0 | 0 | 112.2 | M48 H54 E55 L56 | M48-Q52 WeakPolarHBondContact O-CB 3.41Å; M48-Q52 WeakPolarHBondContact O-CG 3.41Å; M48-Q52 PolarHBondContact O-N 2.89Å; Q52-H54 VanDerWaalsContact C-N 3.31Å; Q52-H54 PolarHBondContact O-N 2.91Å; Q52-E55 PolarHBondContact NE2-OE2 3.07Å; Q52-E55 PolarHBondContact O-N 3.25Å; Q52-L56 VanDerWaalsContact O-CB 3.31Å; Q52-L56 WeakPolarHBondContact O-CB 3.31Å; Q52-L56 PolarHBondContact O-N 2.92Å |
| 53 | R | 87.5 | Confident | 83.6 | Confident | 172 Ų | 172 | 106.5 Ų | 106.5 | 65% | 0.649 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.3 | -32.3 | 174.8 | -170.8 | 178.5 | -129.5 | -155.6 | 3.1 | 112.6 | V49 H51 K57 | V49-R53 WeakPolarHBondContact O-CB 3.29Å; V49-R53 PolarHBondContact O-N 3.44Å; H51-R53 VanDerWaalsContact C-N 3.26Å; H51-R53 PolarHBondContact O-N 2.92Å; R53-K57 VanDerWaalsContact O-CG 3.29Å; R53-K57 WeakPolarHBondContact O-CG 3.43Å; R53-K57 PolarHBondContact O-N 2.92Å |
| 54 | H | 84.7 | Confident | 83.4 | Confident | 101 Ų | 101 | 109.2 Ų | 109.2 | 47% | 0.468 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.9 | -49.4 | 175.1 | -174.5 | -85.2 | 0 | 0 | 0 | 110.8 | A50 H51 Q52 L56 K57 E58 | A50-H54 PolarHBondContact O-N 3.05Å; H51-H54 WeakPolarHBondContact O-CA 3.48Å; H51-H54 VanDerWaalsContact O-CB 3.29Å; H51-H54 WeakPolarHBondContact O-CB 3.26Å; H51-H54 PolarHBondContact O-N 3.26Å; Q52-H54 VanDerWaalsContact C-N 3.31Å; Q52-H54 PolarHBondContact O-N 2.91Å; H54-L56 VanDerWaalsContact C-N 3.32Å; H54-L56 PolarHBondContact O-N 2.94Å; H54-K57 WeakPolarHBondContact O-CB 3.48Å; H54-K57 PolarHBondContact O-N 3.41Å; H54-K57 VanDerWaalsContact O-N 3.07Å; H54-E58 IonicContact CE1-OE1 3.12Å; H54-E58 PolarHBondContact CE1-OE1 3.05Å; H54-E58 IonicContact CE1-OE2 3.67Å; H54-E58 IonicContact ND1-OE1 3.36Å; H54-E58 IonicContact ND1-OE2 3.56Å; H54-E58 PolarHBondContact ND1-OE2 3.3Å; H54-E58 PolarHBondContact O-N 3.43Å |
| 55 | E | 87.7 | Confident | 82.9 | Confident | 81 Ų | 81 | 108.4 Ų | 108.4 | 38% | 0.379 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.4 | -43.8 | 176.9 | -66 | -174 | 132.5 | 0 | 0 | 111.5 | H51 Q52 K57 E58 L59 | H51-E55 IonicContact CD2-OE2 3.58Å; H51-E55 IonicContact CE1-OE1 3.71Å; H51-E55 IonicContact NE2-OE1 2.76Å; H51-E55 PolarHBondContact NE2-OE1 2.9Å; H51-E55 IonicContact NE2-OE2 3.71Å; H51-E55 PolarHBondContact O-N 3.31Å; Q52-E55 PolarHBondContact NE2-OE2 3.07Å; Q52-E55 PolarHBondContact O-N 3.25Å; E55-K57 VanDerWaalsContact C-N 3.31Å; E55-K57 PolarHBondContact O-N 2.91Å; E55-E58 PolarHBondContact O-N 3.47Å; E55-L59 WeakPolarHBondContact O-CB 3.21Å; E55-L59 PolarHBondContact O-N 3.04Å |
| 56 | L | 90 | Very high | 82.4 | Confident | 106 Ų | 106 | 113.6 Ų | 113.6 | 56% | 0.555 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.8 | -38.2 | 176 | -176.1 | 63.1 | 0 | 0 | 0 | 112.1 | Q52 H54 L59 V60 | Q52-L56 VanDerWaalsContact O-CB 3.31Å; Q52-L56 WeakPolarHBondContact O-CB 3.31Å; Q52-L56 PolarHBondContact O-N 2.92Å; H54-L56 VanDerWaalsContact C-N 3.32Å; H54-L56 PolarHBondContact O-N 2.94Å; L56-L59 PolarHBondContact O-N 3.07Å; L56-V60 HydrophobicContact CD1-CG2 4.41Å; L56-V60 WeakPolarHBondContact O-CB 3.19Å; L56-V60 WeakPolarHBondContact O-CG2 3.32Å; L56-V60 PolarHBondContact O-N 3Å |
| 57 | K | 86.3 | Confident | 82 | Confident | 125 Ų | 125 | 108.5 Ų | 108.5 | 54% | 0.543 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 175.4 | -78.6 | 174.2 | 179.1 | -175.7 | 0 | 111.6 | R53 H54 E55 L59 V60 E61 | R53-K57 VanDerWaalsContact O-CG 3.29Å; R53-K57 WeakPolarHBondContact O-CG 3.43Å; R53-K57 PolarHBondContact O-N 2.92Å; H54-K57 WeakPolarHBondContact O-CB 3.48Å; H54-K57 PolarHBondContact O-N 3.41Å; H54-K57 VanDerWaalsContact O-N 3.07Å; E55-K57 VanDerWaalsContact C-N 3.31Å; E55-K57 PolarHBondContact O-N 2.91Å; K57-L59 VanDerWaalsContact C-N 3.35Å; K57-V60 PolarHBondContact O-N 3.49Å; K57-E61 WeakPolarHBondContact O-CB 3.29Å; K57-E61 WeakPolarHBondContact O-CG 3.41Å; K57-E61 PolarHBondContact O-N 2.87Å |
| 58 | E | 83.6 | Confident | 81.3 | Confident | 103 Ų | 103 | 104.6 Ų | 104.6 | 48% | 0.481 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 177.3 | -69.9 | -174.9 | 141.8 | 0 | 0 | 111.8 | H54 E55 E61 T62 | H54-E58 IonicContact CE1-OE1 3.12Å; H54-E58 PolarHBondContact CE1-OE1 3.05Å; H54-E58 IonicContact CE1-OE2 3.67Å; H54-E58 IonicContact ND1-OE1 3.36Å; H54-E58 IonicContact ND1-OE2 3.56Å; H54-E58 PolarHBondContact ND1-OE2 3.3Å; H54-E58 PolarHBondContact O-N 3.43Å; E55-E58 PolarHBondContact O-N 3.47Å; E58-E61 PolarHBondContact O-N 2.95Å; E58-T62 WeakPolarHBondContact O-CB 3.2Å; E58-T62 PolarHBondContact O-N 3.48Å; E58-T62 PolarHBondContact O-OG1 3.38Å |
| 59 | L | 81.4 | Confident | 80.7 | Confident | 103 Ų | 103 | 99.7 Ų | 99.7 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 174.7 | -167.2 | 95.2 | 0 | 0 | 0 | 111.1 | E55 L56 K57 E61 T62 I63 | E55-L59 WeakPolarHBondContact O-CB 3.21Å; E55-L59 PolarHBondContact O-N 3.04Å; L56-L59 PolarHBondContact O-N 3.07Å; K57-L59 VanDerWaalsContact C-N 3.35Å; L59-E61 VanDerWaalsContact C-N 3.35Å; L59-E61 PolarHBondContact O-N 3.48Å; L59-T62 PolarHBondContact O-N 3.22Å; L59-I63 HydrophobicContact CD2-CD1 3.95Å; L59-I63 HydrophobicContact CG-CD1 4.01Å; L59-I63 VanDerWaalsContact O-CG1 3.32Å; L59-I63 WeakPolarHBondContact O-CG1 3.27Å; L59-I63 PolarHBondContact O-N 3.49Å |
| 60 | V | 84.2 | Confident | 80.3 | Confident | 83 Ų | 83 | 98.7 Ų | 98.7 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -41.8 | 177.9 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | L56 K57 T62 K64 | L56-V60 HydrophobicContact CD1-CG2 4.41Å; L56-V60 WeakPolarHBondContact O-CB 3.19Å; L56-V60 WeakPolarHBondContact O-CG2 3.32Å; L56-V60 PolarHBondContact O-N 3Å; K57-V60 PolarHBondContact O-N 3.49Å; V60-T62 VanDerWaalsContact C-N 3.34Å; V60-K64 VanDerWaalsContact O-CB 3.32Å; V60-K64 WeakPolarHBondContact O-CB 3.41Å; V60-K64 PolarHBondContact O-N 3.13Å |
| 61 | E | 79.2 | Confident | 79.9 | Confident | 142 Ų | 142 | 101.8 Ų | 101.8 | 66% | 0.664 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -38.3 | 175.5 | -74.7 | -175.3 | -178.8 | 0 | 0 | 112.1 | K57 E58 L59 K64 A65 | K57-E61 WeakPolarHBondContact O-CB 3.29Å; K57-E61 WeakPolarHBondContact O-CG 3.41Å; K57-E61 PolarHBondContact O-N 2.87Å; E58-E61 PolarHBondContact O-N 2.95Å; L59-E61 VanDerWaalsContact C-N 3.35Å; L59-E61 PolarHBondContact O-N 3.48Å; E61-K64 PolarHBondContact O-N 3Å; E61-A65 WeakPolarHBondContact O-CB 3.44Å; E61-A65 PolarHBondContact O-N 3.39Å |
| 62 | T | 74.7 | Confident | 79.5 | Confident | 95 Ų | 95 | 96.9 Ų | 96.9 | 58% | 0.583 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.2 | -45.9 | 177.2 | -57.5 | 0 | 0 | 0 | 0 | 111.4 | E58 L59 V60 K64 A65 F66 | E58-T62 WeakPolarHBondContact O-CB 3.2Å; E58-T62 PolarHBondContact O-N 3.48Å; E58-T62 PolarHBondContact O-OG1 3.38Å; L59-T62 PolarHBondContact O-N 3.22Å; V60-T62 VanDerWaalsContact C-N 3.34Å; T62-K64 VanDerWaalsContact C-N 3.33Å; T62-K64 PolarHBondContact O-N 3.07Å; T62-A65 PolarHBondContact O-N 2.95Å; T62-F66 WeakPolarHBondContact O-CB 3.38Å; T62-F66 PolarHBondContact O-N 3.48Å |
| 63 | I | 76.6 | Confident | 79 | Confident | 101 Ų | 101 | 95.6 Ų | 95.6 | 52% | 0.518 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 175.8 | -69.9 | 168.2 | 0 | 0 | 0 | 110.4 | L59 F66 S67 | L59-I63 HydrophobicContact CD2-CD1 3.95Å; L59-I63 HydrophobicContact CG-CD1 4.01Å; L59-I63 VanDerWaalsContact O-CG1 3.32Å; L59-I63 WeakPolarHBondContact O-CG1 3.27Å; L59-I63 PolarHBondContact O-N 3.49Å; I63-F66 WeakPolarHBondContact O-CB 3.32Å; I63-F66 PolarHBondContact O-N 3.31Å; I63-S67 PolarHBondContact O-N 2.96Å; I63-S67 PolarHBondContact O-OG 3.36Å |
| 64 | K | 76.8 | Confident | 78.8 | Confident | 128 Ų | 128 | 91.3 Ų | 91.3 | 56% | 0.557 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 177.8 | -174.2 | 174.6 | -179.6 | 173.7 | 0 | 112.1 | V60 E61 T62 F66 S67 E68 | V60-K64 VanDerWaalsContact O-CB 3.32Å; V60-K64 WeakPolarHBondContact O-CB 3.41Å; V60-K64 PolarHBondContact O-N 3.13Å; E61-K64 PolarHBondContact O-N 3Å; T62-K64 VanDerWaalsContact C-N 3.33Å; T62-K64 PolarHBondContact O-N 3.07Å; K64-F66 VanDerWaalsContact C-N 3.3Å; K64-F66 PolarHBondContact O-N 3.44Å; K64-S67 WeakPolarHBondContact CA-OG 3.49Å; K64-S67 PolarHBondContact O-N 2.7Å; K64-S67 PolarHBondContact O-OG 3.29Å; K64-E68 VanDerWaalsContact CE-OE1 3.23Å; K64-E68 WeakPolarHBondContact CE-OE1 3.5Å; K64-E68 WeakPolarHBondContact O-CB 3.47Å; K64-E68 WeakPolarHBondContact O-CG 3.42Å; K64-E68 PolarHBondContact O-N 3.23Å |
| 65 | A | 70.2 | Confident | 78.8 | Confident | 62 Ų | 62 | 89.2 Ų | 89.2 | 51% | 0.512 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63 | -38.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E61 T62 G69 | E61-A65 WeakPolarHBondContact O-CB 3.44Å; E61-A65 PolarHBondContact O-N 3.39Å; T62-A65 PolarHBondContact O-N 2.95Å; A65-G69 PolarHBondContact O-N 2.97Å |
| 66 | F | 71.4 | Confident | 78.6 | Confident | 143 Ų | 143 | 85.6 Ų | 85.6 | 63% | 0.627 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.7 | -46.5 | 174.7 | -177.3 | -98.8 | 0 | 0 | 0 | 111.9 | T62 I63 K64 E68 G69 L70 | T62-F66 WeakPolarHBondContact O-CB 3.38Å; T62-F66 PolarHBondContact O-N 3.48Å; I63-F66 WeakPolarHBondContact O-CB 3.32Å; I63-F66 PolarHBondContact O-N 3.31Å; K64-F66 VanDerWaalsContact C-N 3.3Å; K64-F66 PolarHBondContact O-N 3.44Å; F66-E68 PolarHBondContact O-N 3.26Å; F66-G69 CarbonylContact O-C 3.58Å; F66-G69 PolarHBondContact O-N 3.44Å; F66-L70 WeakPolarHBondContact O-CB 3.34Å; F66-L70 PolarHBondContact O-N 2.86Å |
| 67 | S | 73.1 | Confident | 78.5 | Confident | 65 Ų | 65 | 84.7 Ų | 84.7 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64 | -40 | 178.1 | 63.1 | 0 | 0 | 0 | 0 | 112.7 | I63 K64 G69 L70 L71 | I63-S67 PolarHBondContact O-N 2.96Å; I63-S67 PolarHBondContact O-OG 3.36Å; K64-S67 WeakPolarHBondContact CA-OG 3.49Å; K64-S67 PolarHBondContact O-N 2.7Å; K64-S67 PolarHBondContact O-OG 3.29Å; S67-G69 VanDerWaalsContact C-N 3.31Å; S67-L70 PolarHBondContact O-N 2.9Å; S67-L71 PolarHBondContact O-N 3.46Å |
| 68 | E | 70.8 | Confident | 78.5 | Confident | 76 Ų | 76 | 85 Ų | 85 | 36% | 0.355 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.6 | -34.9 | 175 | -73.5 | -179.1 | -165.2 | 0 | 0 | 111.5 | K64 F66 T72 | K64-E68 VanDerWaalsContact CE-OE1 3.23Å; K64-E68 WeakPolarHBondContact CE-OE1 3.5Å; K64-E68 WeakPolarHBondContact O-CB 3.47Å; K64-E68 WeakPolarHBondContact O-CG 3.42Å; K64-E68 PolarHBondContact O-N 3.23Å; F66-E68 PolarHBondContact O-N 3.26Å; E68-T72 PolarHBondContact O-OG1 3.34Å |
| 69 | G | 70.9 | Confident | 78.6 | Confident | 22 Ų | 22 | 83.6 Ų | 83.6 | 23% | 0.227 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -70.7 | -37.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A65 F66 S67 L71 T72 I73 | A65-G69 PolarHBondContact O-N 2.97Å; F66-G69 CarbonylContact O-C 3.58Å; F66-G69 PolarHBondContact O-N 3.44Å; S67-G69 VanDerWaalsContact C-N 3.31Å; G69-L71 PolarHBondContact O-N 2.73Å; G69-T72 WeakPolarHBondContact O-CB 3.32Å; G69-T72 PolarHBondContact O-N 2.85Å; G69-T72 VanDerWaalsContact O-N 3.11Å; G69-I73 VanDerWaalsContact O-CG1 3.31Å; G69-I73 WeakPolarHBondContact O-CG1 3.42Å; G69-I73 PolarHBondContact O-N 3.2Å |
| 70 | L | 75.8 | Confident | 78.8 | Confident | 78 Ų | 78 | 81.5 Ų | 81.5 | 41% | 0.408 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | -178.8 | -176.8 | 65.6 | 0 | 0 | 0 | 111.7 | F66 S67 T72 I73 I74 | F66-L70 WeakPolarHBondContact O-CB 3.34Å; F66-L70 PolarHBondContact O-N 2.86Å; S67-L70 PolarHBondContact O-N 2.9Å; L70-T72 VanDerWaalsContact C-N 3.27Å; L70-T72 PolarHBondContact O-N 2.94Å; L70-I73 PolarHBondContact O-N 3.38Å; L70-I73 VanDerWaalsContact O-N 3.15Å; L70-I74 HydrophobicContact CD1-CD1 4.29Å; L70-I74 HydrophobicContact CD1-CG1 4.47Å; L70-I74 HydrophobicContact CG-CD1 3.93Å; L70-I74 WeakPolarHBondContact O-CG1 3.34Å; L70-I74 PolarHBondContact O-N 3.44Å |
| 71 | L | 77.7 | Confident | 78.8 | Confident | 127 Ų | 127 | 79.1 Ų | 79.1 | 67% | 0.665 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -60.9 | -39.1 | 176.9 | -174.3 | 68 | 0 | 0 | 0 | 111.7 | S67 G69 Y75 | S67-L71 PolarHBondContact O-N 3.46Å; G69-L71 PolarHBondContact O-N 2.73Å; L71-Y75 WeakPolarHBondContact O-CB 3.38Å; L71-Y75 PolarHBondContact O-N 2.99Å |
| 72 | T | 78.7 | Confident | 78.8 | Confident | 5 Ų | 5 | 81.5 Ų | 81.5 | 3% | 0.031 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 176 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | E68 G69 L70 Y75 L76 S165 R168 | E68-T72 PolarHBondContact O-OG1 3.34Å; G69-T72 WeakPolarHBondContact O-CB 3.32Å; G69-T72 PolarHBondContact O-N 2.85Å; G69-T72 VanDerWaalsContact O-N 3.11Å; L70-T72 VanDerWaalsContact C-N 3.27Å; L70-T72 PolarHBondContact O-N 2.94Å; T72-Y75 PolarHBondContact O-N 3.42Å; T72-L76 WeakPolarHBondContact O-CG 3.41Å; T72-L76 PolarHBondContact O-N 2.93Å; T72-L76 VanDerWaalsContact O-N 3.07Å; T72-S165 VanDerWaalsContact CG2-CA 3.44Å; T72-S165 VanDerWaalsContact CG2-CB 3.47Å; T72-S165 WeakPolarHBondContact CG2-O 3.33Å; T72-R168 HydrophobicContact CG2-CB 4.06Å; T72-R168 PolarHBondContact OG1-NH1 3.13Å |
| 73 | I | 78 | Confident | 78.9 | Confident | 89 Ų | 89 | 82.4 Ų | 82.4 | 46% | 0.456 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.4 | -47.7 | 177.2 | -67.5 | 163 | 0 | 0 | 0 | 110.3 | G69 L70 Y75 L76 D77 | G69-I73 VanDerWaalsContact O-CG1 3.31Å; G69-I73 WeakPolarHBondContact O-CG1 3.42Å; G69-I73 PolarHBondContact O-N 3.2Å; L70-I73 PolarHBondContact O-N 3.38Å; L70-I73 VanDerWaalsContact O-N 3.15Å; I73-Y75 VanDerWaalsContact C-N 3.32Å; I73-Y75 PolarHBondContact O-N 2.87Å; I73-L76 PolarHBondContact O-N 2.96Å; I73-D77 WeakPolarHBondContact O-CB 3.44Å; I73-D77 PolarHBondContact O-N 2.87Å |
| 74 | I | 83 | Confident | 78.7 | Confident | 82 Ų | 82 | 85 Ų | 85 | 42% | 0.421 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.1 | -44 | 177.4 | -66.2 | 166.2 | 0 | 0 | 0 | 110.6 | L70 L76 D77 I78 | L70-I74 HydrophobicContact CD1-CD1 4.29Å; L70-I74 HydrophobicContact CD1-CG1 4.47Å; L70-I74 HydrophobicContact CG-CD1 3.93Å; L70-I74 WeakPolarHBondContact O-CG1 3.34Å; L70-I74 PolarHBondContact O-N 3.44Å; I74-L76 PolarHBondContact O-N 3.28Å; I74-D77 PolarHBondContact O-N 2.92Å; I74-I78 HydrophobicContact CG2-CD1 3.76Å; I74-I78 HydrophobicContact CG2-CG1 4.38Å; I74-I78 VanDerWaalsContact O-CG1 3.25Å; I74-I78 WeakPolarHBondContact O-CG1 3.34Å; I74-I78 PolarHBondContact O-N 3.36Å |
| 75 | Y | 84.4 | Confident | 78.8 | Confident | 57 Ų | 57 | 80.6 Ų | 80.6 | 22% | 0.224 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 177 | 172.4 | -104.1 | 0 | 0 | 0 | 112.6 | L71 T72 I73 I78 I79 I162 Y183 | L71-Y75 WeakPolarHBondContact O-CB 3.38Å; L71-Y75 PolarHBondContact O-N 2.99Å; T72-Y75 PolarHBondContact O-N 3.42Å; I73-Y75 VanDerWaalsContact C-N 3.32Å; I73-Y75 PolarHBondContact O-N 2.87Å; Y75-I78 PolarHBondContact O-N 2.81Å; Y75-I79 HydrophobicContact CD1-CD1 4.28Å; Y75-I79 HydrophobicContact CD2-CD1 3.93Å; Y75-I79 HydrophobicContact CE1-CD1 3.68Å; Y75-I79 HydrophobicContact CE2-CD1 3.28Å; Y75-I79 HydrophobicContact CE2-CG1 4.37Å; Y75-I79 HydrophobicContact CG-CD1 4.39Å; Y75-I79 WeakPolarHBondContact O-CG1 3.38Å; Y75-I79 PolarHBondContact O-N 3.17Å; Y75-I79 VanDerWaalsContact OH-CD1 3.26Å; Y75-I79 WeakPolarHBondContact OH-CD1 3.47Å; Y75-I162 HydrophobicContact CE1-CG1 4.28Å; Y75-I162 WeakPolarHBondContact OH-CG1 3.25Å; Y75-Y183 WeakPolarHBondContact CD1-OH 3.26Å; Y75-Y183 HydrophobicContact CE1-CE1 4.49Å; Y75-Y183 WeakPolarHBondContact CE1-OH 3.34Å; Y75-Y183 HydrophobicContact CE2-CE1 4.01Å; Y75-Y183 AromaticContact CZ-CE1 3.89Å |
| 76 | L | 84.7 | Confident | 79.2 | Confident | 5 Ų | 5 | 80.4 Ų | 80.4 | 3% | 0.026 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -69.8 | -37.7 | 177.1 | -71.4 | 179.6 | 0 | 0 | 0 | 112.6 | T72 I73 I74 I78 I79 L80 V85 I166 C169 | T72-L76 WeakPolarHBondContact O-CG 3.41Å; T72-L76 PolarHBondContact O-N 2.93Å; T72-L76 VanDerWaalsContact O-N 3.07Å; I73-L76 PolarHBondContact O-N 2.96Å; I74-L76 PolarHBondContact O-N 3.28Å; L76-I78 VanDerWaalsContact C-N 3.31Å; L76-I79 PolarHBondContact O-N 3.47Å; L76-L80 HydrophobicContact CD2-CD1 4.07Å; L76-L80 WeakPolarHBondContact O-CB 3.47Å; L76-L80 PolarHBondContact O-N 3.48Å; L76-V85 HydrophobicContact CD1-CB 4.49Å; L76-V85 HydrophobicContact CD1-CG1 4.37Å; L76-V85 HydrophobicContact CD1-CG2 4.06Å; L76-I166 HydrophobicContact CD1-CG1 4.07Å; L76-I166 HydrophobicContact CD2-CG1 3.94Å; L76-C169 HydrophobicContact CD1-CB 4.45Å; L76-C169 VanDerWaalsContact CD1-SG 3.53Å |
| 77 | D | 86.5 | Confident | 79.5 | Confident | 87 Ų | 87 | 75.1 Ų | 75.1 | 47% | 0.465 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.3 | -39 | 176.1 | -172.6 | 57.6 | 0 | 0 | 0 | 111.2 | I73 I74 I79 G81 | I73-D77 WeakPolarHBondContact O-CB 3.44Å; I73-D77 PolarHBondContact O-N 2.87Å; I74-D77 PolarHBondContact O-N 2.92Å; D77-I79 PolarHBondContact O-N 3.41Å; D77-G81 WeakPolarHBondContact O-CA 3.41Å; D77-G81 PolarHBondContact O-N 2.87Å |
| 78 | I | 87 | Confident | 79.6 | Confident | 132 Ų | 132 | 79.2 Ų | 79.2 | 68% | 0.677 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.5 | -41.2 | 174.4 | -70 | 166.5 | 0 | 0 | 0 | 111.7 | I74 Y75 L76 | I74-I78 HydrophobicContact CG2-CD1 3.76Å; I74-I78 HydrophobicContact CG2-CG1 4.38Å; I74-I78 VanDerWaalsContact O-CG1 3.25Å; I74-I78 WeakPolarHBondContact O-CG1 3.34Å; I74-I78 PolarHBondContact O-N 3.36Å; Y75-I78 PolarHBondContact O-N 2.81Å; L76-I78 VanDerWaalsContact C-N 3.31Å |
| 79 | I | 86.4 | Confident | 80.2 | Confident | 74 Ų | 74 | 79.3 Ų | 79.3 | 38% | 0.379 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -85.4 | -43.7 | -173.1 | -68.8 | 177.4 | 0 | 0 | 0 | 112.7 | Y75 L76 D77 I162 | Y75-I79 HydrophobicContact CD1-CD1 4.28Å; Y75-I79 HydrophobicContact CD2-CD1 3.93Å; Y75-I79 HydrophobicContact CE1-CD1 3.68Å; Y75-I79 HydrophobicContact CE2-CD1 3.28Å; Y75-I79 HydrophobicContact CE2-CG1 4.37Å; Y75-I79 HydrophobicContact CG-CD1 4.39Å; Y75-I79 WeakPolarHBondContact O-CG1 3.38Å; Y75-I79 PolarHBondContact O-N 3.17Å; Y75-I79 VanDerWaalsContact OH-CD1 3.26Å; Y75-I79 WeakPolarHBondContact OH-CD1 3.47Å; L76-I79 PolarHBondContact O-N 3.47Å; D77-I79 PolarHBondContact O-N 3.41Å; I79-I162 HydrophobicContact CD1-CG1 4.34Å |
| 80 | L | 85.2 | Confident | 80.8 | Confident | 59 Ų | 59 | 84.9 Ų | 84.9 | 31% | 0.309 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -100.4 | -12.6 | -173.5 | -60.5 | 174.6 | 0 | 0 | 0 | 112.3 | L76 I83 V85 I166 | L76-L80 HydrophobicContact CD2-CD1 4.07Å; L76-L80 WeakPolarHBondContact O-CB 3.47Å; L76-L80 PolarHBondContact O-N 3.48Å; L80-I83 VanDerWaalsContact O-CD1 3.25Å; L80-I83 WeakPolarHBondContact O-CD1 3.35Å; L80-I83 WeakPolarHBondContact O-CG1 3.46Å; L80-V85 HydrophobicContact CD1-CG1 3.44Å; L80-V85 VanDerWaalsContact CD1-CG1 3.44Å; L80-I166 HydrophobicContact CD1-CD1 4.47Å |
| 81 | G | 84.3 | Confident | 81.3 | Confident | 32 Ų | 32 | 86.2 Ų | 86.2 | 33% | 0.33 | 45% | 0.45 | S | S | . | . | trans | 67.1 | -156.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112 | D77 I83 | D77-G81 WeakPolarHBondContact O-CA 3.41Å; D77-G81 PolarHBondContact O-N 2.87Å; G81-I83 PolarHBondContact O-N 3.24Å | ||
| 82 | Q | 77.9 | Confident | 81.7 | Confident | 193 Ų | 193 | 85 Ų | 85 | 90% | 0.902 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -75.6 | 47 | -179.1 | -61.6 | -167.2 | -26.9 | 0 | 0 | 113.4 | ||
| 83 | I | 76.9 | Confident | 82.1 | Confident | 114 Ų | 114 | 88 Ų | 88 | 59% | 0.585 | 45% | 0.452 | S | S | * | . | trans | -95.1 | 129.8 | 174.2 | -62.7 | 176.2 | 0 | 0 | 0 | 109.2 | L80 G81 V85 | L80-I83 VanDerWaalsContact O-CD1 3.25Å; L80-I83 WeakPolarHBondContact O-CD1 3.35Å; L80-I83 WeakPolarHBondContact O-CG1 3.46Å; G81-I83 PolarHBondContact O-N 3.24Å; I83-V85 PolarHBondContact O-N 2.88Å | ||
| 84 | N | 73.6 | Confident | 82.5 | Confident | 156 Ų | 156 | 86.4 Ų | 86.4 | 83% | 0.834 | 44% | 0.441 | S | S | * | . | trans | -66.3 | 95.5 | 174.9 | -79.5 | -34.7 | 0 | 0 | 0 | 111 | S86 | N84-S86 PolarHBondContact O-N 3.39Š| ||
| 85 | V | 78.2 | Confident | 82.8 | Confident | 34 Ų | 34 | 89.6 Ų | 89.6 | 21% | 0.206 | 45% | 0.448 | C | S | . | . | trans | -75.4 | -9.9 | 172.6 | -65.6 | 0 | 0 | 0 | 0 | 113.3 | L76 L80 I83 I87 C169 N170 | L76-V85 HydrophobicContact CD1-CB 4.49Å; L76-V85 HydrophobicContact CD1-CG1 4.37Å; L76-V85 HydrophobicContact CD1-CG2 4.06Å; L80-V85 HydrophobicContact CD1-CG1 3.44Å; L80-V85 VanDerWaalsContact CD1-CG1 3.44Å; I83-V85 PolarHBondContact O-N 2.88Å; V85-I87 PolarHBondContact O-N 2.84Å; V85-C169 HydrophobicContact CG2-CB 4.13Å; V85-N170 PolarHBondContact O-ND2 2.84Å | ||
| 86 | S | 78.7 | Confident | 83.1 | Confident | 58 Ų | 58 | 89.3 Ų | 89.3 | 41% | 0.406 | 45% | 0.447 | S | S | . | . | trans | -74.1 | 108.2 | 177.8 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | N84 L88 | N84-S86 PolarHBondContact O-N 3.39Å; S86-L88 PolarHBondContact O-N 3.37Å | ||
| 87 | I | 77.6 | Confident | 83.3 | Confident | 33 Ų | 33 | 89.2 Ų | 89.2 | 17% | 0.169 | 45% | 0.446 | C | S | . | . | trans | -80.8 | 100.9 | 174.8 | -56.7 | 170.6 | 0 | 0 | 0 | 106.8 | V85 N89 Q92 R93 Y96 N170 | V85-I87 PolarHBondContact O-N 2.84Å; I87-N89 VanDerWaalsContact C-N 3.34Å; I87-N89 PolarHBondContact O-N 2.92Å; I87-Q92 HydrophobicContact CG2-CB 3.35Å; I87-R93 HydrophobicContact CB-CG 3.86Å; I87-R93 HydrophobicContact CG2-CG 3.89Å; I87-R93 WeakPolarHBondContact O-CG 3.43Å; I87-R93 PolarHBondContact O-NE 2.88Å; I87-R93 PolarHBondContact O-NH2 3.35Å; I87-Y96 HydrophobicContact CD1-CD1 4.37Å; I87-Y96 HydrophobicContact CD1-CD2 4.41Å; I87-Y96 HydrophobicContact CD1-CG 3.99Å; I87-N170 WeakPolarHBondContact CA-OD1 3.38Å; I87-N170 WeakPolarHBondContact CB-OD1 3.01Å; I87-N170 PolarHBondContact N-OD1 3.17Å | ||
| 88 | L | 76.3 | Confident | 83.5 | Confident | 151 Ų | 151 | 88.7 Ų | 88.7 | 79% | 0.791 | 44% | 0.443 | S | S | * | . | trans | -66.8 | -35.3 | -176.4 | -66.8 | 172.9 | 0 | 0 | 0 | 112.8 | S86 K90 | S86-L88 PolarHBondContact O-N 3.37Å; L88-K90 PolarHBondContact O-N 3.31Å | ||
| 89 | N | 83.3 | Confident | 83.8 | Confident | 77 Ų | 77 | 85.7 Ų | 85.7 | 41% | 0.412 | 43% | 0.429 | S | S | . | . | trans | -75.4 | 119.7 | -177.3 | -174.9 | -10 | 0 | 0 | 0 | 111.5 | I87 L91 Q92 R93 | I87-N89 VanDerWaalsContact C-N 3.34Å; I87-N89 PolarHBondContact O-N 2.92Å; N89-L91 VanDerWaalsContact C-N 3.26Å; N89-L91 PolarHBondContact O-N 3.45Å; N89-L91 WeakPolarHBondContact OD1-CB 3.47Å; N89-L91 PolarHBondContact OD1-N 3.24Å; N89-Q92 HydrophobicContact CB-CB 4.06Å; N89-Q92 HydrophobicContact CB-CG 3.93Å; N89-Q92 PolarHBondContact O-N 2.96Å; N89-R93 PolarHBondContact O-N 3.47Å | ||
| 90 | K | 82.2 | Confident | 84.2 | Confident | 140 Ų | 140 | 82.2 Ų | 82.2 | 61% | 0.609 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -55.5 | -38.1 | 177.6 | -170.1 | -180 | -179.2 | -178.9 | 0 | 112.7 | L88 R93 F94 | L88-K90 PolarHBondContact O-N 3.31Å; K90-R93 PolarHBondContact O-N 3.47Å; K90-F94 HydrophobicContact CD-CE2 4.1Å; K90-F94 HydrophobicContact CD-CZ 4.35Å; K90-F94 HydrophobicContact CG-CD2 4.3Å; K90-F94 HydrophobicContact CG-CE2 3.51Å; K90-F94 HydrophobicContact CG-CZ 3.81Å; K90-F94 WeakPolarHBondContact O-CD2 3.23Å; K90-F94 PolarHBondContact O-N 2.95Å |
| 91 | L | 86.2 | Confident | 84.5 | Confident | 105 Ų | 105 | 79.8 Ų | 79.8 | 55% | 0.55 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 177.6 | -179.1 | 62.9 | 0 | 0 | 0 | 111.7 | N89 F94 R95 | N89-L91 VanDerWaalsContact C-N 3.26Å; N89-L91 PolarHBondContact O-N 3.45Å; N89-L91 WeakPolarHBondContact OD1-CB 3.47Å; N89-L91 PolarHBondContact OD1-N 3.24Å; L91-F94 PolarHBondContact O-N 3.02Å; L91-R95 PolarHBondContact O-N 3.04Å |
| 92 | Q | 87.1 | Confident | 85 | Confident | 101 Ų | 101 | 83.2 Ų | 83.2 | 47% | 0.472 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.5 | -37.3 | 177.5 | -70.7 | 175.6 | -19.4 | 0 | 0 | 111.6 | I87 N89 F94 R95 Y96 | I87-Q92 HydrophobicContact CG2-CB 3.35Å; N89-Q92 HydrophobicContact CB-CB 4.06Å; N89-Q92 HydrophobicContact CB-CG 3.93Å; N89-Q92 PolarHBondContact O-N 2.96Å; Q92-F94 VanDerWaalsContact C-N 3.3Å; Q92-F94 PolarHBondContact O-N 3.06Å; Q92-R95 PolarHBondContact O-N 3.21Å; Q92-Y96 WeakPolarHBondContact O-CB 3.33Å; Q92-Y96 PolarHBondContact O-N 3.38Å |
| 93 | R | 87.2 | Confident | 85.9 | Confident | 70 Ų | 70 | 75.5 Ų | 75.5 | 26% | 0.264 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.1 | -44.8 | 172.5 | -71.4 | -174.8 | -176.3 | 164 | 14.3 | 111.7 | I87 N89 K90 K97 N170 M242 | I87-R93 HydrophobicContact CB-CG 3.86Å; I87-R93 HydrophobicContact CG2-CG 3.89Å; I87-R93 WeakPolarHBondContact O-CG 3.43Å; I87-R93 PolarHBondContact O-NE 2.88Å; I87-R93 PolarHBondContact O-NH2 3.35Å; N89-R93 PolarHBondContact O-N 3.47Å; K90-R93 PolarHBondContact O-N 3.47Å; R93-K97 WeakPolarHBondContact O-CB 3.38Å; R93-K97 PolarHBondContact O-N 3.23Å; R93-K97 VanDerWaalsContact O-N 3.09Å; R93-N170 HydrophobicContact CG-CB 4.36Å; R93-N170 PolarHBondContact NE-OD1 3.1Å; R93-M242 HydrophobicContact CB-CE 4.08Å; R93-M242 HydrophobicContact CB-SD 3.81Å |
| 94 | F | 85.6 | Confident | 86.7 | Confident | 54 Ų | 54 | 70.5 Ų | 70.5 | 24% | 0.237 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.7 | -43 | 176.6 | -64.3 | -41.7 | 0 | 0 | 0 | 112.7 | K90 L91 Q92 K97 D98 S241 M242 | K90-F94 HydrophobicContact CD-CE2 4.1Å; K90-F94 HydrophobicContact CD-CZ 4.35Å; K90-F94 HydrophobicContact CG-CD2 4.3Å; K90-F94 HydrophobicContact CG-CE2 3.51Å; K90-F94 HydrophobicContact CG-CZ 3.81Å; K90-F94 WeakPolarHBondContact O-CD2 3.23Å; K90-F94 PolarHBondContact O-N 2.95Å; L91-F94 PolarHBondContact O-N 3.02Å; Q92-F94 VanDerWaalsContact C-N 3.3Å; Q92-F94 PolarHBondContact O-N 3.06Å; F94-K97 WeakPolarHBondContact O-CB 3.47Å; F94-K97 PolarHBondContact O-N 3.42Å; F94-D98 WeakPolarHBondContact O-CB 3.31Å; F94-D98 PolarHBondContact O-N 2.99Å; F94-S241 WeakPolarHBondContact CE1-O 3.29Å; F94-S241 WeakPolarHBondContact CE1-OG 2.98Å; F94-S241 WeakPolarHBondContact CZ-OG 3.38Å; F94-M242 HydrophobicContact CD1-SD 4.07Å; F94-M242 HydrophobicContact CE1-CG 4.44Å; F94-M242 HydrophobicContact CE1-SD 4.07Å |
| 95 | R | 89 | Confident | 87.8 | Confident | 150 Ų | 150 | 64.4 Ų | 64.4 | 57% | 0.566 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.6 | -49.2 | 176.7 | -172.9 | 177.8 | -62.7 | 171.9 | -0.3 | 111.6 | L91 Q92 K97 D98 D99 | L91-R95 PolarHBondContact O-N 3.04Å; Q92-R95 PolarHBondContact O-N 3.21Å; R95-K97 VanDerWaalsContact C-N 3.27Å; R95-K97 PolarHBondContact O-N 2.91Å; R95-D98 PolarHBondContact O-N 3.35Å; R95-D99 WeakPolarHBondContact O-CB 3.37Å; R95-D99 VanDerWaalsContact O-CG 3.26Å; R95-D99 PolarHBondContact O-N 2.97Å |
| 96 | Y | 90.6 | Very high | 88.7 | Confident | 51 Ų | 51 | 70.8 Ų | 70.8 | 20% | 0.2 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.7 | -42.1 | 178.2 | -177.8 | -96.7 | 0 | 0 | 0 | 112.1 | I87 Q92 D99 Y100 R163 I166 L167 | I87-Y96 HydrophobicContact CD1-CD1 4.37Å; I87-Y96 HydrophobicContact CD1-CD2 4.41Å; I87-Y96 HydrophobicContact CD1-CG 3.99Å; Q92-Y96 WeakPolarHBondContact O-CB 3.33Å; Q92-Y96 PolarHBondContact O-N 3.38Å; Y96-D99 PolarHBondContact O-N 3.5Å; Y96-Y100 WeakPolarHBondContact O-CB 3.29Å; Y96-Y100 PolarHBondContact O-N 3.11Å; Y96-R163 WeakPolarHBondContact OH-CG 3.17Å; Y96-I166 HydrophobicContact CD1-CG2 4.5Å; Y96-I166 HydrophobicContact CE1-CB 4.19Å; Y96-I166 HydrophobicContact CE1-CG2 3.75Å; Y96-I166 WeakPolarHBondContact OH-CD1 3.43Å; Y96-L167 HydrophobicContact CD1-CD2 3.79Å; Y96-L167 HydrophobicContact CD1-CG 4.22Å; Y96-L167 HydrophobicContact CE1-CD2 4.08Å; Y96-L167 HydrophobicContact CE1-CG 3.97Å |
| 97 | K | 89.8 | Confident | 89.6 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.009 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.4 | -48 | 175.5 | 179.9 | -169.5 | 175.8 | -168.6 | 0 | 112.4 | R93 F94 R95 D99 Y100 E101 L167 S241 M242 D243 I244 | R93-K97 WeakPolarHBondContact O-CB 3.38Å; R93-K97 PolarHBondContact O-N 3.23Å; R93-K97 VanDerWaalsContact O-N 3.09Å; F94-K97 WeakPolarHBondContact O-CB 3.47Å; F94-K97 PolarHBondContact O-N 3.42Å; R95-K97 VanDerWaalsContact C-N 3.27Å; R95-K97 PolarHBondContact O-N 2.91Å; K97-D99 VanDerWaalsContact C-N 3.26Å; K97-D99 PolarHBondContact O-N 2.9Å; K97-Y100 WeakPolarHBondContact O-CB 3.45Å; K97-Y100 PolarHBondContact O-N 2.96Å; K97-Y100 VanDerWaalsContact O-N 3.12Å; K97-E101 WeakPolarHBondContact O-CG 3.48Å; K97-E101 PolarHBondContact O-N 3.15Å; K97-L167 HydrophobicContact CB-CD2 3.92Å; K97-L167 HydrophobicContact CG-CD2 4.26Å; K97-S241 PolarHBondContact NZ-O 3.29Å; K97-M242 HydrophobicContact CD-SD 4.31Å; K97-M242 WeakPolarHBondContact CE-O 3.34Å; K97-D243 WeakPolarHBondContact CE-O 3.44Å; K97-D243 VanDerWaalsContact NZ-C 3.33Å; K97-D243 PolarHBondContact NZ-O 3.34Å; K97-I244 HydrophobicContact CD-CG2 4.22Å; K97-I244 HydrophobicContact CG-CG2 3.8Å |
| 98 | D | 90.6 | Very high | 90.5 | Very high | 76 Ų | 76 | 67 Ų | 67 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.7 | -37.4 | 178.6 | -75 | -20.6 | 0 | 0 | 0 | 111.1 | F94 R95 Y100 E101 K102 | F94-D98 WeakPolarHBondContact O-CB 3.31Å; F94-D98 PolarHBondContact O-N 2.99Å; R95-D98 PolarHBondContact O-N 3.35Å; D98-Y100 VanDerWaalsContact C-N 3.33Å; D98-E101 PolarHBondContact O-N 3.35Å; D98-K102 WeakPolarHBondContact O-CB 3.31Å; D98-K102 VanDerWaalsContact O-CG 3.25Å; D98-K102 WeakPolarHBondContact O-CG 3.34Å; D98-K102 PolarHBondContact O-N 3.4Å |
| 99 | D | 94 | Very high | 91.5 | Very high | 70 Ų | 70 | 63.1 Ų | 63.1 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.5 | -32.1 | 174.6 | -68.1 | -22.1 | 0 | 0 | 0 | 112.4 | R95 Y96 K97 K102 F103 | R95-D99 WeakPolarHBondContact O-CB 3.37Å; R95-D99 VanDerWaalsContact O-CG 3.26Å; R95-D99 PolarHBondContact O-N 2.97Å; Y96-D99 PolarHBondContact O-N 3.5Å; K97-D99 VanDerWaalsContact C-N 3.26Å; K97-D99 PolarHBondContact O-N 2.9Å; D99-K102 IonicContact OD1-NZ 3.06Å; D99-F103 WeakPolarHBondContact O-CB 3.46Å; D99-F103 PolarHBondContact O-N 3.46Å |
| 100 | Y | 94.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.2 | -45 | 171.6 | 157.2 | -91.4 | 0 | 0 | 0 | 111.6 | Y96 K97 D98 K102 F103 K104 L160 R163 E164 L167 I244 | Y96-Y100 WeakPolarHBondContact O-CB 3.29Å; Y96-Y100 PolarHBondContact O-N 3.11Å; K97-Y100 WeakPolarHBondContact O-CB 3.45Å; K97-Y100 PolarHBondContact O-N 2.96Å; K97-Y100 VanDerWaalsContact O-N 3.12Å; D98-Y100 VanDerWaalsContact C-N 3.33Å; Y100-K102 PolarHBondContact O-N 2.89Å; Y100-F103 WeakPolarHBondContact O-CB 3.38Å; Y100-F103 PolarHBondContact O-N 2.94Å; Y100-K104 HydrophobicContact CD2-CG 4.45Å; Y100-K104 HydrophobicContact CE1-CD 3.97Å; Y100-K104 HydrophobicContact CE1-CG 4.49Å; Y100-K104 HydrophobicContact CE2-CD 3.9Å; Y100-K104 HydrophobicContact CE2-CG 4.01Å; Y100-K104 VanDerWaalsContact CZ-CD 3.46Å; Y100-K104 PolarHBondContact O-N 3.15Å; Y100-K104 VanDerWaalsContact OH-CD 3.26Å; Y100-K104 WeakPolarHBondContact OH-CD 3.38Å; Y100-K104 VanDerWaalsContact OH-CE 3.24Å; Y100-K104 WeakPolarHBondContact OH-CE 3.15Å; Y100-K104 PolarHBondContact OH-NZ 3.19Å; Y100-L160 HydrophobicContact CE2-CG 4.33Å; Y100-R163 HydrophobicContact CD2-CB 3.82Å; Y100-R163 HydrophobicContact CE2-CB 4.34Å; Y100-R163 VanDerWaalsContact N-NH2 3.16Å; Y100-E164 HydrophobicContact CE2-CG 3.74Å; Y100-E164 WeakPolarHBondContact OH-CG 3.27Å; Y100-E164 PolarHBondContact OH-OE1 2.95Å; Y100-L167 HydrophobicContact CD1-CD1 3.55Å; Y100-L167 HydrophobicContact CD2-CD1 4.04Å; Y100-L167 HydrophobicContact CE1-CD1 3.78Å; Y100-L167 HydrophobicContact CE2-CD1 4.23Å; Y100-L167 HydrophobicContact CG-CD1 3.69Å; Y100-I244 HydrophobicContact CD1-CG2 4.07Å; Y100-I244 HydrophobicContact CE1-CB 4.03Å; Y100-I244 HydrophobicContact CE1-CD1 3.67Å; Y100-I244 HydrophobicContact CE1-CG1 4.5Å; Y100-I244 HydrophobicContact CE1-CG2 3.81Å; Y100-I244 VanDerWaalsContact OH-CD1 3.25Å; Y100-I244 WeakPolarHBondContact OH-CD1 3.29Å |
| 101 | E | 92.3 | Very high | 92.9 | Very high | 9 Ų | 9 | 56.6 Ų | 56.6 | 4% | 0.042 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 177.2 | -67.5 | -69.1 | 176.9 | 0 | 0 | 111.9 | K97 D98 K104 L105 I244 T245 | K97-E101 WeakPolarHBondContact O-CG 3.48Å; K97-E101 PolarHBondContact O-N 3.15Å; D98-E101 PolarHBondContact O-N 3.35Å; E101-K104 PolarHBondContact O-N 3.41Å; E101-K104 WeakPolarHBondContact OE2-CE 3.25Å; E101-K104 IonicContact OE2-NZ 2.68Å; E101-L105 PolarHBondContact O-N 3.44Å; E101-L105 VanDerWaalsContact O-N 3.1Å; E101-I244 WeakPolarHBondContact OE1-CA 3.39Å; E101-I244 WeakPolarHBondContact OE1-CB 3.24Å; E101-I244 WeakPolarHBondContact OE1-CG2 3.3Å; E101-T245 PolarHBondContact OE1-N 3.3Å; E101-T245 PolarHBondContact OE1-OG1 3.29Å; E101-T245 WeakPolarHBondContact OE2-CB 3.42Å; E101-T245 WeakPolarHBondContact OE2-CG2 3.42Å; E101-T245 PolarHBondContact OE2-OG1 3.16Å |
| 102 | K | 94.2 | Very high | 93.5 | Very high | 104 Ų | 104 | 55 Ų | 55 | 45% | 0.452 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 174.1 | -72 | 170 | -170.2 | 167.6 | 0 | 111.5 | D98 D99 Y100 R106 | D98-K102 WeakPolarHBondContact O-CB 3.31Å; D98-K102 VanDerWaalsContact O-CG 3.25Å; D98-K102 WeakPolarHBondContact O-CG 3.34Å; D98-K102 PolarHBondContact O-N 3.4Å; D99-K102 IonicContact OD1-NZ 3.06Å; Y100-K102 PolarHBondContact O-N 2.89Å; K102-R106 VanDerWaalsContact O-CB 3.24Å; K102-R106 WeakPolarHBondContact O-CB 3.5Å; K102-R106 PolarHBondContact O-N 2.95Å |
| 103 | F | 96.2 | Very high | 93.9 | Very high | 31 Ų | 31 | 55.6 Ų | 55.6 | 14% | 0.136 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59 | -52.3 | 176.1 | 164.1 | -97.1 | 0 | 0 | 0 | 111.2 | D99 Y100 L105 R106 V107 W155 Y156 T159 R163 | D99-F103 WeakPolarHBondContact O-CB 3.46Å; D99-F103 PolarHBondContact O-N 3.46Å; Y100-F103 WeakPolarHBondContact O-CB 3.38Å; Y100-F103 PolarHBondContact O-N 2.94Å; F103-L105 PolarHBondContact O-N 2.96Å; F103-R106 PolarHBondContact O-N 3.11Å; F103-V107 HydrophobicContact CD2-CG2 3.88Å; F103-V107 HydrophobicContact CE2-CG2 3.57Å; F103-V107 HydrophobicContact CZ-CG2 3.96Å; F103-V107 WeakPolarHBondContact O-CG2 3.45Å; F103-V107 PolarHBondContact O-N 2.88Å; F103-W155 AromaticContact CE2-CH2 3.81Å; F103-W155 HydrophobicContact CE2-CH2 3.81Å; F103-W155 HydrophobicContact CE2-CZ2 4.43Å; F103-W155 HydrophobicContact CE2-CZ3 4.35Å; F103-W155 HydrophobicContact CZ-CH2 4.3Å; F103-Y156 AromaticContact CE1-CD2 3.98Å; F103-Y156 HydrophobicContact CE1-CD2 3.98Å; F103-Y156 AromaticContact CE1-CE2 3.92Å; F103-Y156 HydrophobicContact CE1-CE2 3.92Å; F103-Y156 AromaticContact CZ-CD2 3.96Å; F103-Y156 HydrophobicContact CZ-CD2 3.96Å; F103-Y156 HydrophobicContact CZ-CE2 4.33Å; F103-T159 HydrophobicContact CE1-CG2 3.96Å; F103-T159 HydrophobicContact CE2-CG2 4.17Å; F103-T159 HydrophobicContact CZ-CG2 3.52Å; F103-R163 VanDerWaalsContact CB-NH1 3.27Å |
| 104 | K | 94.9 | Very high | 94.4 | Very high | 9 Ų | 9 | 54.4 Ų | 54.4 | 4% | 0.039 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -53.1 | -55.3 | 177.5 | -76.1 | -161.8 | -63.1 | -173.5 | 0 | 111.3 | Y100 E101 R106 V107 T108 L160 T245 | Y100-K104 HydrophobicContact CD2-CG 4.45Å; Y100-K104 HydrophobicContact CE1-CD 3.97Å; Y100-K104 HydrophobicContact CE1-CG 4.49Å; Y100-K104 HydrophobicContact CE2-CD 3.9Å; Y100-K104 HydrophobicContact CE2-CG 4.01Å; Y100-K104 VanDerWaalsContact CZ-CD 3.46Å; Y100-K104 PolarHBondContact O-N 3.15Å; Y100-K104 VanDerWaalsContact OH-CD 3.26Å; Y100-K104 WeakPolarHBondContact OH-CD 3.38Å; Y100-K104 VanDerWaalsContact OH-CE 3.24Å; Y100-K104 WeakPolarHBondContact OH-CE 3.15Å; Y100-K104 PolarHBondContact OH-NZ 3.19Å; E101-K104 PolarHBondContact O-N 3.41Å; E101-K104 WeakPolarHBondContact OE2-CE 3.25Å; E101-K104 IonicContact OE2-NZ 2.68Å; K104-R106 VanDerWaalsContact C-N 3.33Å; K104-R106 PolarHBondContact O-N 3.06Å; K104-V107 PolarHBondContact O-N 3.06Å; K104-T108 WeakPolarHBondContact O-CB 3.4Å; K104-T108 PolarHBondContact O-N 3.22Å; K104-T108 PolarHBondContact O-OG1 2.81Å; K104-L160 HydrophobicContact CD-CD1 3.97Å; K104-L160 HydrophobicContact CD-CG 4.49Å; K104-L160 HydrophobicContact CG-CD1 4.1Å; K104-T245 PolarHBondContact NZ-O 3.29Å; K104-T245 PolarHBondContact NZ-OG1 3.43Å |
| 105 | L | 95.4 | Very high | 94.9 | Very high | 28 Ų | 28 | 51.8 Ų | 51.8 | 15% | 0.147 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | -178.4 | -178.4 | 61 | 0 | 0 | 0 | 112.1 | E101 F103 I109 I220 C223 | E101-L105 PolarHBondContact O-N 3.44Å; E101-L105 VanDerWaalsContact O-N 3.1Å; F103-L105 PolarHBondContact O-N 2.96Å; L105-I109 HydrophobicContact CD1-CD1 4Å; L105-I109 HydrophobicContact CD1-CG1 4.32Å; L105-I109 HydrophobicContact CG-CD1 3.94Å; L105-I109 WeakPolarHBondContact O-CD1 3.47Å; L105-I109 VanDerWaalsContact O-CG1 3.23Å; L105-I109 WeakPolarHBondContact O-CG1 3.4Å; L105-I109 PolarHBondContact O-N 3.25Å; L105-I220 HydrophobicContact CD1-CG1 4.33Å; L105-C223 HydrophobicContact CD1-CB 4.38Å |
| 106 | R | 97 | Very high | 95.2 | Very high | 168 Ų | 168 | 47.5 Ų | 47.5 | 63% | 0.634 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -61.8 | -47.5 | 179.6 | -173.2 | -175 | -60.6 | 169.3 | -0.1 | 111.3 | K102 F103 K104 I109 I110 | K102-R106 VanDerWaalsContact O-CB 3.24Å; K102-R106 WeakPolarHBondContact O-CB 3.5Å; K102-R106 PolarHBondContact O-N 2.95Å; F103-R106 PolarHBondContact O-N 3.11Å; K104-R106 VanDerWaalsContact C-N 3.33Å; K104-R106 PolarHBondContact O-N 3.06Å; R106-I109 PolarHBondContact O-N 3.06Å; R106-I110 HydrophobicContact CG-CD1 4.32Å; R106-I110 WeakPolarHBondContact O-CG1 3.47Å; R106-I110 PolarHBondContact O-N 3.01Å; R106-I110 VanDerWaalsContact O-N 3.1Å |
| 107 | V | 97.7 | Very high | 95.3 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.2 | -40.1 | -178.8 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | F103 K104 I109 I110 L111 F152 W155 Y156 | F103-V107 HydrophobicContact CD2-CG2 3.88Å; F103-V107 HydrophobicContact CE2-CG2 3.57Å; F103-V107 HydrophobicContact CZ-CG2 3.96Å; F103-V107 WeakPolarHBondContact O-CG2 3.45Å; F103-V107 PolarHBondContact O-N 2.88Å; K104-V107 PolarHBondContact O-N 3.06Å; V107-I109 VanDerWaalsContact C-N 3.29Å; V107-I109 PolarHBondContact O-N 2.85Å; V107-I110 PolarHBondContact O-N 2.83Å; V107-I110 VanDerWaalsContact O-N 3.14Å; V107-L111 HydrophobicContact CG1-CD1 4.03Å; V107-L111 HydrophobicContact CG1-CG 4.38Å; V107-L111 WeakPolarHBondContact O-CG 3.34Å; V107-L111 PolarHBondContact O-N 3.22Å; V107-F152 HydrophobicContact CG1-CE1 3.8Å; V107-F152 HydrophobicContact CG1-CZ 3.83Å; V107-W155 HydrophobicContact CG1-CZ3 4.39Å; V107-W155 HydrophobicContact CG2-CH2 4.48Å; V107-W155 HydrophobicContact CG2-CZ3 4.17Å; V107-Y156 HydrophobicContact CB-CD2 3.73Å; V107-Y156 HydrophobicContact CB-CE2 3.8Å; V107-Y156 HydrophobicContact CG1-CD1 4.43Å; V107-Y156 HydrophobicContact CG1-CD2 3.27Å; V107-Y156 HydrophobicContact CG1-CE2 3.79Å; V107-Y156 HydrophobicContact CG1-CG 3.63Å; V107-Y156 HydrophobicContact CG2-CD2 4.29Å |
| 108 | T | 96.7 | Very high | 95.5 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.4 | -40.3 | 173 | -59.4 | 0 | 0 | 0 | 0 | 111.8 | K104 L111 F112 S216 Q219 I220 | K104-T108 WeakPolarHBondContact O-CB 3.4Å; K104-T108 PolarHBondContact O-N 3.22Å; K104-T108 PolarHBondContact O-OG1 2.81Å; T108-L111 PolarHBondContact O-N 3.5Å; T108-F112 VanDerWaalsContact O-CB 3.25Å; T108-F112 WeakPolarHBondContact O-CB 3.16Å; T108-F112 PolarHBondContact O-N 2.75Å; T108-S216 WeakPolarHBondContact CG2-O 3.1Å; T108-Q219 HydrophobicContact CG2-CB 3.8Å; T108-I220 HydrophobicContact CG2-CD1 4.31Å; T108-I220 HydrophobicContact CG2-CG1 3.79Å |
| 109 | I | 97.9 | Very high | 95.6 | Very high | 68 Ų | 68 | 46.8 Ų | 46.8 | 35% | 0.349 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.8 | -42.8 | 175.8 | -70.8 | 165.6 | 0 | 0 | 0 | 111 | L105 R106 V107 F112 I113 I220 | L105-I109 HydrophobicContact CD1-CD1 4Å; L105-I109 HydrophobicContact CD1-CG1 4.32Å; L105-I109 HydrophobicContact CG-CD1 3.94Å; L105-I109 WeakPolarHBondContact O-CD1 3.47Å; L105-I109 VanDerWaalsContact O-CG1 3.23Å; L105-I109 WeakPolarHBondContact O-CG1 3.4Å; L105-I109 PolarHBondContact O-N 3.25Å; R106-I109 PolarHBondContact O-N 3.06Å; V107-I109 VanDerWaalsContact C-N 3.29Å; V107-I109 PolarHBondContact O-N 2.85Å; I109-F112 PolarHBondContact O-N 3.43Å; I109-I113 HydrophobicContact CG2-CD1 3.94Å; I109-I113 WeakPolarHBondContact O-CG1 3.14Å; I109-I113 PolarHBondContact O-N 2.87Å; I109-I220 HydrophobicContact CG1-CD1 4.02Å; I109-I220 HydrophobicContact CG1-CG1 4.3Å |
| 110 | I | 98.1 | Very high | 95.4 | Very high | 78 Ų | 78 | 49.6 Ų | 49.6 | 40% | 0.4 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.9 | -48 | 176.5 | -66.7 | 165.5 | 0 | 0 | 0 | 110.3 | R106 V107 F112 I113 F114 F152 | R106-I110 HydrophobicContact CG-CD1 4.32Å; R106-I110 WeakPolarHBondContact O-CG1 3.47Å; R106-I110 PolarHBondContact O-N 3.01Å; R106-I110 VanDerWaalsContact O-N 3.1Å; V107-I110 PolarHBondContact O-N 2.83Å; V107-I110 VanDerWaalsContact O-N 3.14Å; I110-F112 VanDerWaalsContact C-N 3.33Å; I110-F112 PolarHBondContact O-N 3.29Å; I110-I113 PolarHBondContact O-N 2.92Å; I110-F114 VanDerWaalsContact O-CB 3.26Å; I110-F114 WeakPolarHBondContact O-CB 3.46Å; I110-F114 PolarHBondContact O-N 2.63Å; I110-F152 HydrophobicContact CB-CE1 4.19Å; I110-F152 HydrophobicContact CG2-CE1 3.62Å; I110-F152 HydrophobicContact CG2-CZ 3.98Å |
| 111 | L | 97.2 | Very high | 95 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.7 | -42.3 | 176.3 | -75.5 | 166.8 | 0 | 0 | 0 | 112.1 | V107 T108 I113 F114 A115 Y149 F152 L153 Y156 | V107-L111 HydrophobicContact CG1-CD1 4.03Å; V107-L111 HydrophobicContact CG1-CG 4.38Å; V107-L111 WeakPolarHBondContact O-CG 3.34Å; V107-L111 PolarHBondContact O-N 3.22Å; T108-L111 PolarHBondContact O-N 3.5Å; L111-I113 VanDerWaalsContact C-N 3.3Å; L111-I113 PolarHBondContact O-N 3.43Å; L111-F114 PolarHBondContact O-N 2.9Å; L111-A115 WeakPolarHBondContact O-CB 3.24Å; L111-A115 PolarHBondContact O-N 3.21Å; L111-Y149 HydrophobicContact CD2-CD2 4.35Å; L111-Y149 HydrophobicContact CD2-CE2 3.72Å; L111-F152 HydrophobicContact CD2-CD1 3.52Å; L111-F152 HydrophobicContact CD2-CE1 4.06Å; L111-F152 HydrophobicContact CG-CD1 3.96Å; L111-F152 HydrophobicContact CG-CE1 3.97Å; L111-L153 HydrophobicContact CD1-CD2 3.72Å; L111-L153 HydrophobicContact CD2-CD2 3.59Å; L111-L153 HydrophobicContact CD2-CG 3.87Å; L111-L153 HydrophobicContact CG-CD2 4.3Å; L111-Y156 HydrophobicContact CD1-CD1 3.83Å; L111-Y156 HydrophobicContact CD1-CE1 4.24Å; L111-Y156 HydrophobicContact CD1-CG 4.26Å |
| 112 | F | 97.1 | Very high | 94.7 | Very high | 72 Ų | 72 | 51.2 Ų | 51.2 | 32% | 0.316 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.6 | -33.6 | 178.6 | -179 | -114.3 | 0 | 0 | 0 | 113.1 | T108 I109 I110 P116 C213 F217 I220 | T108-F112 VanDerWaalsContact O-CB 3.25Å; T108-F112 WeakPolarHBondContact O-CB 3.16Å; T108-F112 PolarHBondContact O-N 2.75Å; I109-F112 PolarHBondContact O-N 3.43Å; I110-F112 VanDerWaalsContact C-N 3.33Å; I110-F112 PolarHBondContact O-N 3.29Å; F112-P116 WeakPolarHBondContact O-CD 3.45Å; F112-P116 VanDerWaalsContact O-CG 3.27Å; F112-P116 WeakPolarHBondContact O-CG 3.49Å; F112-C213 WeakPolarHBondContact CD2-O 3.22Å; F112-F217 HydrophobicContact CD2-CB 4.28Å; F112-F217 HydrophobicContact CE2-CB 3.77Å; F112-F217 HydrophobicContact CZ-CB 4.38Å; F112-F217 HydrophobicContact CZ-CD2 4.44Å; F112-I220 HydrophobicContact CB-CD1 4.19Å; F112-I220 HydrophobicContact CD1-CD1 4.18Å; F112-I220 HydrophobicContact CG-CD1 4.16Å |
| 113 | I | 97.4 | Very high | 94.1 | Very high | 113 Ų | 113 | 53 Ų | 53 | 58% | 0.579 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -81.1 | -37.9 | 175.8 | -65.7 | 168.5 | 0 | 0 | 0 | 110.8 | I109 I110 L111 P116 | I109-I113 HydrophobicContact CG2-CD1 3.94Å; I109-I113 WeakPolarHBondContact O-CG1 3.14Å; I109-I113 PolarHBondContact O-N 2.87Å; I110-I113 PolarHBondContact O-N 2.92Å; L111-I113 VanDerWaalsContact C-N 3.3Å; L111-I113 PolarHBondContact O-N 3.43Å; I113-P116 WeakPolarHBondContact O-CD 3.33Å |
| 114 | F | 97.3 | Very high | 93 | Very high | 45 Ų | 45 | 58.3 Ų | 58.3 | 20% | 0.197 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72 | -38.3 | -176.5 | -168 | -168 | 0 | 0 | 0 | 112.1 | I110 L111 F117 V118 L145 A148 Y149 | I110-F114 VanDerWaalsContact O-CB 3.26Å; I110-F114 WeakPolarHBondContact O-CB 3.46Å; I110-F114 PolarHBondContact O-N 2.63Å; L111-F114 PolarHBondContact O-N 2.9Å; F114-F117 HydrophobicContact CD2-CB 4.47Å; F114-F117 HydrophobicContact CD2-CD1 4.15Å; F114-F117 HydrophobicContact CE2-CD1 4.15Å; F114-F117 VanDerWaalsContact O-CB 3.31Å; F114-F117 WeakPolarHBondContact O-CB 3.42Å; F114-F117 PolarHBondContact O-N 3.24Å; F114-F117 VanDerWaalsContact O-N 3.1Å; F114-V118 HydrophobicContact CD2-CG2 3.86Å; F114-V118 HydrophobicContact CE2-CG2 3.67Å; F114-V118 HydrophobicContact CZ-CG2 4.32Å; F114-V118 WeakPolarHBondContact O-CG2 3.32Å; F114-V118 PolarHBondContact O-N 3.38Å; F114-L145 HydrophobicContact CE2-CD2 4.28Å; F114-A148 HydrophobicContact CZ-CB 4.21Å; F114-Y149 HydrophobicContact CB-CD2 4.15Å; F114-Y149 HydrophobicContact CB-CE2 4.39Å; F114-Y149 AromaticContact CD1-CD2 3.65Å; F114-Y149 HydrophobicContact CD1-CD2 3.65Å; F114-Y149 HydrophobicContact CD1-CG 4.49Å; F114-Y149 HydrophobicContact CE1-CD2 4.15Å; F114-Y149 AromaticContact CG-CD2 3.87Å; F114-Y149 HydrophobicContact CG-CD2 3.87Å |
| 115 | A | 96.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.8 | -46.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L111 F117 V118 C119 Y149 C213 | L111-A115 WeakPolarHBondContact O-CB 3.24Å; L111-A115 PolarHBondContact O-N 3.21Å; A115-F117 VanDerWaalsContact C-N 3.27Å; A115-F117 PolarHBondContact O-N 3.43Å; A115-V118 PolarHBondContact O-N 3.07Å; A115-C119 PolarHBondContact O-N 3.07Å; A115-C119 PolarHBondContact O-SG 3.48Å; A115-C119 VanDerWaalsContact O-SG 3.32Å; A115-Y149 HydrophobicContact CB-CE2 3.64Å; A115-C213 WeakPolarHBondContact CB-SG 3.31Å |
| 116 | P | 94.6 | Very high | 90.1 | Very high | 60 Ų | 60 | 64.4 Ų | 64.4 | 39% | 0.39 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.8 | -33.4 | 172.3 | -24.6 | 34 | 0 | 0 | 0 | 113.8 | F112 I113 C119 Y120 C213 | F112-P116 WeakPolarHBondContact O-CD 3.45Å; F112-P116 VanDerWaalsContact O-CG 3.27Å; F112-P116 WeakPolarHBondContact O-CG 3.49Å; I113-P116 WeakPolarHBondContact O-CD 3.33Å; P116-C119 WeakPolarHBondContact O-CB 3.44Å; P116-C119 PolarHBondContact O-N 3.11Å; P116-Y120 PolarHBondContact O-N 3.15Å; P116-C213 VanDerWaalsContact CD-SG 3.6Å |
| 117 | F | 93.6 | Very high | 88.1 | Confident | 98 Ų | 98 | 59 Ų | 59 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64 | -44.4 | 174.8 | -176.6 | -101.3 | 0 | 0 | 0 | 110.8 | F114 A115 Y120 F121 L145 | F114-F117 HydrophobicContact CD2-CB 4.47Å; F114-F117 HydrophobicContact CD2-CD1 4.15Å; F114-F117 HydrophobicContact CE2-CD1 4.15Å; F114-F117 VanDerWaalsContact O-CB 3.31Å; F114-F117 WeakPolarHBondContact O-CB 3.42Å; F114-F117 PolarHBondContact O-N 3.24Å; F114-F117 VanDerWaalsContact O-N 3.1Å; A115-F117 VanDerWaalsContact C-N 3.27Å; A115-F117 PolarHBondContact O-N 3.43Å; F117-Y120 WeakPolarHBondContact O-CB 3.46Å; F117-Y120 PolarHBondContact O-N 3.16Å; F117-F121 HydrophobicContact CD1-CD2 4.38Å; F117-F121 HydrophobicContact CD1-CE2 4.34Å; F117-F121 HydrophobicContact CD2-CE2 4.13Å; F117-F121 HydrophobicContact CE1-CD2 4.16Å; F117-F121 AromaticContact CE1-CE2 3.82Å; F117-F121 HydrophobicContact CE1-CE2 3.82Å; F117-F121 HydrophobicContact CE2-CD2 4.45Å; F117-F121 AromaticContact CE2-CE2 3.59Å; F117-F121 HydrophobicContact CE2-CE2 3.59Å; F117-F121 HydrophobicContact CE2-CZ 4.46Å; F117-F121 HydrophobicContact CG-CE2 4.49Å; F117-F121 HydrophobicContact CZ-CD2 4.21Å; F117-F121 AromaticContact CZ-CE2 3.42Å; F117-F121 HydrophobicContact CZ-CE2 3.42Å; F117-F121 VanDerWaalsContact CZ-CE2 3.42Å; F117-F121 HydrophobicContact CZ-CZ 4.23Å; F117-F121 WeakPolarHBondContact O-CD2 3.32Å; F117-F121 PolarHBondContact O-N 3.49Å; F117-L145 HydrophobicContact CD1-CD1 4.04Å; F117-L145 HydrophobicContact CE1-CD1 3.64Å; F117-L145 HydrophobicContact CE1-CD2 3.99Å; F117-L145 HydrophobicContact CE1-CG 4.5Å |
| 118 | V | 93.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 173 | -178.1 | 0 | 0 | 0 | 0 | 111.5 | F114 A115 Y120 F121 H122 F142 L145 D146 Y149 L209 | F114-V118 HydrophobicContact CD2-CG2 3.86Å; F114-V118 HydrophobicContact CE2-CG2 3.67Å; F114-V118 HydrophobicContact CZ-CG2 4.32Å; F114-V118 WeakPolarHBondContact O-CG2 3.32Å; F114-V118 PolarHBondContact O-N 3.38Å; A115-V118 PolarHBondContact O-N 3.07Å; V118-Y120 VanDerWaalsContact C-N 3.29Å; V118-Y120 PolarHBondContact O-N 3.02Å; V118-F121 PolarHBondContact O-N 3.41Å; V118-H122 PolarHBondContact O-N 3.25Å; V118-F142 HydrophobicContact CG1-CD2 4.3Å; V118-F142 HydrophobicContact CG1-CE2 3.78Å; V118-L145 HydrophobicContact CG2-CB 4.38Å; V118-D146 HydrophobicContact CG1-CB 4.26Å; V118-D146 WeakPolarHBondContact CG1-OD1 3.07Å; V118-Y149 HydrophobicContact CG2-CD2 4.4Å; V118-Y149 HydrophobicContact CG2-CG 4.34Å; V118-L209 HydrophobicContact CB-CD1 4.45Å; V118-L209 HydrophobicContact CB-CD2 4.28Å; V118-L209 HydrophobicContact CG1-CD1 3.82Å; V118-L209 HydrophobicContact CG1-CD2 4.01Å |
| 119 | C | 92.4 | Very high | 83.7 | Confident | 15 Ų | 15 | 74.5 Ų | 74.5 | 10% | 0.101 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.4 | -41.3 | 175.1 | -70.3 | 0 | 0 | 0 | 0 | 112.6 | A115 P116 H122 Q123 L209 | A115-C119 PolarHBondContact O-N 3.07Å; A115-C119 PolarHBondContact O-SG 3.48Å; A115-C119 VanDerWaalsContact O-SG 3.32Å; P116-C119 WeakPolarHBondContact O-CB 3.44Å; P116-C119 PolarHBondContact O-N 3.11Å; C119-H122 PolarHBondContact O-N 2.87Å; C119-Q123 WeakPolarHBondContact O-CB 3.34Å; C119-Q123 PolarHBondContact O-N 3.36Å; C119-L209 WeakPolarHBondContact SG-CB 3.12Å |
| 120 | Y | 89.9 | Confident | 81.6 | Confident | 129 Ų | 129 | 75.3 Ų | 75.3 | 51% | 0.506 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.9 | -46.5 | -179.9 | 173.6 | -98.3 | 0 | 0 | 0 | 111.5 | P116 F117 V118 Q123 R124 | P116-Y120 PolarHBondContact O-N 3.15Å; F117-Y120 WeakPolarHBondContact O-CB 3.46Å; F117-Y120 PolarHBondContact O-N 3.16Å; V118-Y120 VanDerWaalsContact C-N 3.29Å; V118-Y120 PolarHBondContact O-N 3.02Å; Y120-Q123 PolarHBondContact O-N 3.44Å; Y120-R124 PolarHBondContact O-N 2.88Å; Y120-R124 VanDerWaalsContact O-N 3.11Å; Y120-R124 PolarHBondContact OH-NH1 3.47Å |
| 121 | F | 86.6 | Confident | 79.4 | Confident | 33 Ų | 33 | 83.9 Ų | 83.9 | 15% | 0.145 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.8 | -40.3 | 176.9 | -76.8 | -80.3 | 0 | 0 | 0 | 112.3 | F117 V118 Q123 R124 S125 F141 L145 | F117-F121 HydrophobicContact CD1-CD2 4.38Å; F117-F121 HydrophobicContact CD1-CE2 4.34Å; F117-F121 HydrophobicContact CD2-CE2 4.13Å; F117-F121 HydrophobicContact CE1-CD2 4.16Å; F117-F121 AromaticContact CE1-CE2 3.82Å; F117-F121 HydrophobicContact CE1-CE2 3.82Å; F117-F121 HydrophobicContact CE2-CD2 4.45Å; F117-F121 AromaticContact CE2-CE2 3.59Å; F117-F121 HydrophobicContact CE2-CE2 3.59Å; F117-F121 HydrophobicContact CE2-CZ 4.46Å; F117-F121 HydrophobicContact CG-CE2 4.49Å; F117-F121 HydrophobicContact CZ-CD2 4.21Å; F117-F121 AromaticContact CZ-CE2 3.42Å; F117-F121 HydrophobicContact CZ-CE2 3.42Å; F117-F121 VanDerWaalsContact CZ-CE2 3.42Å; F117-F121 HydrophobicContact CZ-CZ 4.23Å; F117-F121 WeakPolarHBondContact O-CD2 3.32Å; F117-F121 PolarHBondContact O-N 3.49Å; V118-F121 PolarHBondContact O-N 3.41Å; F121-Q123 VanDerWaalsContact C-N 3.32Å; F121-Q123 PolarHBondContact O-N 2.89Å; F121-R124 WeakPolarHBondContact O-CB 3.41Å; F121-R124 PolarHBondContact O-N 3.19Å; F121-R124 VanDerWaalsContact O-N 3.14Å; F121-S125 PolarHBondContact O-N 3.25Å; F121-S125 PolarHBondContact O-OG 3.33Å; F121-F141 AromaticContact CD1-CD1 3.63Å; F121-F141 HydrophobicContact CD1-CD1 3.63Å; F121-F141 AromaticContact CD1-CE1 3.73Å; F121-F141 HydrophobicContact CD1-CE1 3.73Å; F121-F141 HydrophobicContact CD2-CE1 4.02Å; F121-F141 AromaticContact CE1-CD1 3.73Å; F121-F141 HydrophobicContact CE1-CD1 3.73Å; F121-F141 AromaticContact CE1-CE1 3.51Å; F121-F141 HydrophobicContact CE1-CE1 3.51Å; F121-F141 AromaticContact CE2-CE1 3.85Å; F121-F141 HydrophobicContact CE2-CE1 3.85Å; F121-F141 HydrophobicContact CG-CD1 4.08Å; F121-F141 AromaticContact CG-CE1 3.99Å; F121-F141 HydrophobicContact CG-CE1 3.99Å; F121-F141 HydrophobicContact CZ-CD1 4.29Å; F121-F141 AromaticContact CZ-CE1 3.59Å; F121-F141 HydrophobicContact CZ-CE1 3.59Å; F121-L145 HydrophobicContact CB-CD1 4.27Å; F121-L145 HydrophobicContact CD2-CD1 3.61Å; F121-L145 HydrophobicContact CE2-CD1 4.2Å; F121-L145 HydrophobicContact CG-CD1 3.96Å |
| 122 | H | 84.6 | Confident | 77.3 | Confident | 11 Ų | 11 | 92.5 Ų | 92.5 | 5% | 0.051 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -56.2 | -45.6 | 174 | 179.8 | -84.9 | 0 | 0 | 0 | 112.3 | V118 C119 R124 S125 Y126 F142 Q202 | V118-H122 PolarHBondContact O-N 3.25Å; C119-H122 PolarHBondContact O-N 2.87Å; H122-R124 VanDerWaalsContact C-N 3.31Å; H122-R124 PolarHBondContact O-N 3.22Å; H122-S125 PolarHBondContact O-N 2.66Å; H122-Y126 PolarHBondContact O-N 2.99Å; H122-F142 HydrophobicContact CB-CD2 3.78Å; H122-F142 HydrophobicContact CB-CE2 3.51Å; H122-F142 HydrophobicContact CB-CZ 4.12Å; H122-F142 AromaticContact CD2-CE1 3.84Å; H122-F142 AromaticContact CD2-CE2 3.78Å; H122-F142 AromaticContact CD2-CZ 3.41Å; H122-F142 VanDerWaalsContact CD2-CZ 3.41Å; H122-F142 WeakPolarHBondContact CD2-CZ 3.44Å; H122-Q202 PolarHBondContact NE2-O 2.98Å |
| 123 | Q | 81.3 | Confident | 75.2 | Confident | 141 Ų | 141 | 96.2 Ų | 96.2 | 66% | 0.659 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -68.5 | -32.1 | -179.9 | -173.9 | 173 | -9.6 | 0 | 0 | 112.2 | C119 Y120 F121 Y126 | C119-Q123 WeakPolarHBondContact O-CB 3.34Å; C119-Q123 PolarHBondContact O-N 3.36Å; Y120-Q123 PolarHBondContact O-N 3.44Å; F121-Q123 VanDerWaalsContact C-N 3.32Å; F121-Q123 PolarHBondContact O-N 2.89Å; Q123-Y126 PolarHBondContact O-N 2.99Å |
| 124 | R | 73.2 | Confident | 73.1 | Confident | 142 Ų | 142 | 93.9 Ų | 93.9 | 54% | 0.536 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -69.5 | -35.2 | 176.3 | -170.5 | 178.8 | -179 | 112.9 | 3.6 | 112.5 | Y120 F121 H122 Y126 P127 D138 | Y120-R124 PolarHBondContact O-N 2.88Å; Y120-R124 VanDerWaalsContact O-N 3.11Å; Y120-R124 PolarHBondContact OH-NH1 3.47Å; F121-R124 WeakPolarHBondContact O-CB 3.41Å; F121-R124 PolarHBondContact O-N 3.19Å; F121-R124 VanDerWaalsContact O-N 3.14Å; H122-R124 VanDerWaalsContact C-N 3.31Å; H122-R124 PolarHBondContact O-N 3.22Å; R124-Y126 VanDerWaalsContact C-N 3.26Å; R124-Y126 PolarHBondContact O-N 3.21Å; R124-P127 WeakPolarHBondContact O-CD 3.33Å; R124-D138 IonicContact NE-OD2 3.89Å |
| 125 | S | 66.4 | Low | 70.9 | Confident | 23 Ų | 23 | 98.3 Ų | 98.3 | 16% | 0.161 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -70.5 | -20.2 | 175.1 | -54.1 | 0 | 0 | 0 | 0 | 113.1 | F121 H122 P127 | F121-S125 PolarHBondContact O-N 3.25Å; F121-S125 PolarHBondContact O-OG 3.33Å; H122-S125 PolarHBondContact O-N 2.66Å; S125-P127 VanDerWaalsContact O-CD 3.28Å; S125-P127 WeakPolarHBondContact O-CD 3.48Å |
| 126 | Y | 63.6 | Low | 68.8 | Low | 142 Ų | 142 | 107.9 Ų | 107.9 | 56% | 0.557 | 50% | 0.501 | S | S | * | . | trans | -118 | 54.4 | -175.5 | -134.6 | -87.2 | 0 | 0 | 0 | 114 | H122 Q123 R124 F128 | H122-Y126 PolarHBondContact O-N 2.99Å; Q123-Y126 PolarHBondContact O-N 2.99Å; R124-Y126 VanDerWaalsContact C-N 3.26Å; R124-Y126 PolarHBondContact O-N 3.21Å; Y126-F128 PolarHBondContact O-N 3.45Å; Y126-F128 VanDerWaalsContact O-N 3.16Å | ||
| 127 | P | 55.1 | Low | 67.1 | Low | 56 Ų | 56 | 111.3 Ų | 111.3 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | trans | -68.1 | 118.5 | 174.2 | 28.7 | -29.1 | 0 | 0 | 0 | 109 | R124 S125 N129 V130 | R124-P127 WeakPolarHBondContact O-CD 3.33Å; S125-P127 VanDerWaalsContact O-CD 3.28Å; S125-P127 WeakPolarHBondContact O-CD 3.48Å; P127-N129 PolarHBondContact O-N 3.25Å; P127-V130 HydrophobicContact CG-CB 4.19Å; P127-V130 PolarHBondContact O-N 3.28Å | ||
| 128 | F | 55.4 | Low | 65.5 | Low | 193 Ų | 193 | 108.7 Ų | 108.7 | 85% | 0.846 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -7.8 | -177.4 | -179.5 | -107.6 | 0 | 0 | 0 | 115.6 | Y126 | Y126-F128 PolarHBondContact O-N 3.45Å; Y126-F128 VanDerWaalsContact O-N 3.16Å |
| 129 | N | 47.6 | Very low | 64.2 | Low | 143 Ų | 143 | 114.4 Ų | 114.4 | 77% | 0.765 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144 | 16.6 | -176.9 | -88.9 | -42.8 | 0 | 0 | 0 | 116.5 | P127 | P127-N129 PolarHBondContact O-N 3.25Š|
| 130 | V | 53.2 | Low | 63.3 | Low | 85 Ų | 85 | 118.4 Ų | 118.4 | 52% | 0.515 | 55% | 0.554 | S | S | . | * | trans | -129.6 | 92.5 | 176.5 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | P127 | P127-V130 HydrophobicContact CG-CB 4.19Å; P127-V130 PolarHBondContact O-N 3.28Å | ||
| 131 | R | 51.9 | Low | 63.1 | Low | 258 Ų | 258 | 116.3 Ų | 116.3 | 97% | 0.974 | 55% | 0.548 | S | S | * | . | trans | -93.3 | -0 | -176.9 | -116.7 | -172 | 170.7 | -145.4 | -4.8 | 114.8 | ||||
| 132 | E | 52.2 | Low | 63 | Low | 183 Ų | 183 | 115 Ų | 115 | 86% | 0.855 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -122.7 | -12.5 | -160.7 | -129 | 171.5 | -164.4 | 0 | 0 | 117.2 | ||
| 133 | I | 53.2 | Low | 63.3 | Low | 151 Ų | 151 | 117.9 Ų | 117.9 | 77% | 0.774 | 55% | 0.552 | S | S | * | * | trans | -146.5 | 76.8 | 179.4 | -48 | 174.9 | 0 | 0 | 0 | 109.8 | ||||
| 134 | V | 53.6 | Low | 63.7 | Low | 63 Ų | 63 | 115.7 Ų | 115.7 | 38% | 0.382 | 55% | 0.548 | S | S | . | . | trans | -115.1 | 121.1 | 161.3 | 179.8 | 0 | 0 | 0 | 0 | 106.8 | Y136 D138 | V134-Y136 PolarHBondContact O-N 2.9Å; V134-D138 HydrophobicContact CG1-CB 4.33Å | ||
| 135 | L | 50.1 | Low | 64.7 | Low | 139 Ų | 139 | 109.9 Ų | 109.9 | 73% | 0.728 | 53% | 0.527 | S | S | * | . | trans | -54.6 | 128.4 | 173.8 | -72.7 | 156.2 | 0 | 0 | 0 | 108.6 | D137 D138 | L135-D137 PolarHBondContact O-N 3.45Å; L135-D138 PolarHBondContact O-N 3.15Å; L135-D138 VanDerWaalsContact O-N 3.12Å | ||
| 136 | Y | 52.3 | Low | 66 | Low | 201 Ų | 201 | 108.9 Ų | 108.9 | 79% | 0.788 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -49.5 | -20.1 | -179.8 | -122.5 | -96.4 | 0 | 0 | 0 | 114.1 | V134 N140 | V134-Y136 PolarHBondContact O-N 2.9Å; Y136-N140 PolarHBondContact O-ND2 2.98Å |
| 137 | D | 59.2 | Low | 67.5 | Low | 132 Ų | 132 | 103.7 Ų | 103.7 | 71% | 0.706 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -75.1 | -26.2 | -177.9 | -66 | -35.4 | 0 | 0 | 0 | 114.3 | L135 | L135-D137 PolarHBondContact O-N 3.45Å |
| 138 | D | 61.4 | Low | 69.5 | Low | 43 Ų | 43 | 103.1 Ų | 103.1 | 23% | 0.23 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -78.9 | -35.8 | -174.3 | -153 | -9 | 0 | 0 | 0 | 112.5 | R124 V134 L135 N140 F141 F142 | R124-D138 IonicContact NE-OD2 3.89Å; V134-D138 HydrophobicContact CG1-CB 4.33Å; L135-D138 PolarHBondContact O-N 3.15Å; L135-D138 VanDerWaalsContact O-N 3.12Å; D138-N140 VanDerWaalsContact C-N 3.28Å; D138-N140 PolarHBondContact O-N 2.76Å; D138-F141 WeakPolarHBondContact O-CB 3.37Å; D138-F141 PolarHBondContact O-N 3.11Å; D138-F142 PolarHBondContact O-N 3.41Å |
| 139 | E | 64.8 | Low | 71.4 | Confident | 119 Ų | 119 | 94 Ų | 94 | 56% | 0.556 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.2 | -38.4 | 178.5 | -67.8 | -165.6 | 164.4 | 0 | 0 | 112.1 | F141 R143 | E139-F141 VanDerWaalsContact C-N 3.26Å; E139-F141 PolarHBondContact O-N 3.38Å; E139-R143 PolarHBondContact O-N 2.96Å |
| 140 | N | 73.8 | Confident | 73.8 | Confident | 100 Ų | 100 | 87.2 Ų | 87.2 | 54% | 0.535 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.3 | -32.9 | 176.7 | -72.1 | -58.9 | 0 | 0 | 0 | 112 | Y136 D138 R143 V144 | Y136-N140 PolarHBondContact O-ND2 2.98Å; D138-N140 VanDerWaalsContact C-N 3.28Å; D138-N140 PolarHBondContact O-N 2.76Å; N140-R143 PolarHBondContact O-N 3.29Å; N140-V144 VanDerWaalsContact O-CG2 3.29Å; N140-V144 WeakPolarHBondContact O-CG2 3.37Å; N140-V144 PolarHBondContact O-N 3.02Å; N140-V144 VanDerWaalsContact O-N 3.08Å |
| 141 | F | 84.9 | Confident | 75.9 | Confident | 85 Ų | 85 | 89.5 Ų | 89.5 | 37% | 0.373 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.1 | -45.8 | -178.1 | -174.4 | -110.6 | 0 | 0 | 0 | 112.3 | F121 D138 E139 R143 V144 L145 | F121-F141 AromaticContact CD1-CD1 3.63Å; F121-F141 HydrophobicContact CD1-CD1 3.63Å; F121-F141 AromaticContact CD1-CE1 3.73Å; F121-F141 HydrophobicContact CD1-CE1 3.73Å; F121-F141 HydrophobicContact CD2-CE1 4.02Å; F121-F141 AromaticContact CE1-CD1 3.73Å; F121-F141 HydrophobicContact CE1-CD1 3.73Å; F121-F141 AromaticContact CE1-CE1 3.51Å; F121-F141 HydrophobicContact CE1-CE1 3.51Å; F121-F141 AromaticContact CE2-CE1 3.85Å; F121-F141 HydrophobicContact CE2-CE1 3.85Å; F121-F141 HydrophobicContact CG-CD1 4.08Å; F121-F141 AromaticContact CG-CE1 3.99Å; F121-F141 HydrophobicContact CG-CE1 3.99Å; F121-F141 HydrophobicContact CZ-CD1 4.29Å; F121-F141 AromaticContact CZ-CE1 3.59Å; F121-F141 HydrophobicContact CZ-CE1 3.59Å; D138-F141 WeakPolarHBondContact O-CB 3.37Å; D138-F141 PolarHBondContact O-N 3.11Å; E139-F141 VanDerWaalsContact C-N 3.26Å; E139-F141 PolarHBondContact O-N 3.38Å; F141-R143 VanDerWaalsContact C-N 3.29Å; F141-R143 PolarHBondContact O-N 3.34Å; F141-V144 PolarHBondContact O-N 3.01Å; F141-L145 HydrophobicContact CD1-CD1 3.8Å; F141-L145 HydrophobicContact CD1-CG 4.23Å; F141-L145 HydrophobicContact CE1-CD1 3.25Å; F141-L145 HydrophobicContact CE1-CD2 4.4Å; F141-L145 HydrophobicContact CE1-CG 3.84Å; F141-L145 HydrophobicContact CE2-CD1 4.46Å; F141-L145 HydrophobicContact CE2-CD2 4.27Å; F141-L145 HydrophobicContact CE2-CG 4.19Å; F141-L145 HydrophobicContact CZ-CD1 3.64Å; F141-L145 HydrophobicContact CZ-CD2 3.92Å; F141-L145 HydrophobicContact CZ-CG 3.81Å; F141-L145 WeakPolarHBondContact O-CG 3.25Å; F141-L145 PolarHBondContact O-N 2.84Å |
| 142 | F | 86 | Confident | 78.1 | Confident | 5 Ų | 5 | 79.4 Ų | 79.4 | 2% | 0.022 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -56.3 | -45.9 | 174.3 | 164 | -107.1 | 0 | 0 | 0 | 111.1 | V118 H122 D138 V144 L145 D146 Y201 R205 | V118-F142 HydrophobicContact CG1-CD2 4.3Å; V118-F142 HydrophobicContact CG1-CE2 3.78Å; H122-F142 HydrophobicContact CB-CD2 3.78Å; H122-F142 HydrophobicContact CB-CE2 3.51Å; H122-F142 HydrophobicContact CB-CZ 4.12Å; H122-F142 AromaticContact CD2-CE1 3.84Å; H122-F142 AromaticContact CD2-CE2 3.78Å; H122-F142 AromaticContact CD2-CZ 3.41Å; H122-F142 VanDerWaalsContact CD2-CZ 3.41Å; H122-F142 WeakPolarHBondContact CD2-CZ 3.44Å; D138-F142 PolarHBondContact O-N 3.41Å; F142-V144 PolarHBondContact O-N 3.13Å; F142-L145 PolarHBondContact O-N 3.49Å; F142-D146 HydrophobicContact CE2-CB 4Å; F142-D146 HydrophobicContact CZ-CB 3.94Å; F142-D146 WeakPolarHBondContact O-CB 3.35Å; F142-D146 PolarHBondContact O-N 2.92Å; F142-Y201 HydrophobicContact CE1-CE1 4.25Å; F142-R205 HydrophobicContact CZ-CG 4.24Å |
| 143 | R | 89.2 | Confident | 80.3 | Confident | 72 Ų | 72 | 71.2 Ų | 71.2 | 27% | 0.272 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | -179.3 | -179.2 | 56.5 | 176.8 | -128 | 14.7 | 112.6 | E139 N140 F141 D146 A147 W195 D197 | E139-R143 PolarHBondContact O-N 2.96Å; N140-R143 PolarHBondContact O-N 3.29Å; F141-R143 VanDerWaalsContact C-N 3.29Å; F141-R143 PolarHBondContact O-N 3.34Å; R143-D146 PolarHBondContact O-N 2.95Å; R143-A147 WeakPolarHBondContact O-CB 3.33Å; R143-A147 PolarHBondContact O-N 2.94Å; R143-W195 PolarHBondContact NH2-O 2.94Å; R143-D197 VanDerWaalsContact NH1-CG 3.3Å; R143-D197 IonicContact NH1-OD2 3.93Å; R143-D197 PolarHBondContact NH1-OD2 3.14Å |
| 144 | V | 91.3 | Very high | 82.5 | Confident | 95 Ų | 95 | 65.7 Ų | 65.7 | 58% | 0.576 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.4 | -44.3 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | N140 F141 F142 D146 A147 A148 | N140-V144 VanDerWaalsContact O-CG2 3.29Å; N140-V144 WeakPolarHBondContact O-CG2 3.37Å; N140-V144 PolarHBondContact O-N 3.02Å; N140-V144 VanDerWaalsContact O-N 3.08Å; F141-V144 PolarHBondContact O-N 3.01Å; F142-V144 PolarHBondContact O-N 3.13Å; V144-D146 PolarHBondContact O-N 2.86Å; V144-A147 PolarHBondContact O-N 3.46Å; V144-A148 WeakPolarHBondContact O-CB 3.31Å; V144-A148 PolarHBondContact O-N 3.36Å |
| 145 | L | 92.5 | Very high | 84.6 | Confident | 19 Ų | 19 | 68.1 Ų | 68.1 | 10% | 0.099 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 176.5 | -74.7 | -174.4 | 0 | 0 | 0 | 112.3 | F114 F117 V118 F121 F141 F142 A148 Y149 | F114-L145 HydrophobicContact CE2-CD2 4.28Å; F117-L145 HydrophobicContact CD1-CD1 4.04Å; F117-L145 HydrophobicContact CE1-CD1 3.64Å; F117-L145 HydrophobicContact CE1-CD2 3.99Å; F117-L145 HydrophobicContact CE1-CG 4.5Å; V118-L145 HydrophobicContact CG2-CB 4.38Å; F121-L145 HydrophobicContact CB-CD1 4.27Å; F121-L145 HydrophobicContact CD2-CD1 3.61Å; F121-L145 HydrophobicContact CE2-CD1 4.2Å; F121-L145 HydrophobicContact CG-CD1 3.96Å; F141-L145 HydrophobicContact CD1-CD1 3.8Å; F141-L145 HydrophobicContact CD1-CG 4.23Å; F141-L145 HydrophobicContact CE1-CD1 3.25Å; F141-L145 HydrophobicContact CE1-CD2 4.4Å; F141-L145 HydrophobicContact CE1-CG 3.84Å; F141-L145 HydrophobicContact CE2-CD1 4.46Å; F141-L145 HydrophobicContact CE2-CD2 4.27Å; F141-L145 HydrophobicContact CE2-CG 4.19Å; F141-L145 HydrophobicContact CZ-CD1 3.64Å; F141-L145 HydrophobicContact CZ-CD2 3.92Å; F141-L145 HydrophobicContact CZ-CG 3.81Å; F141-L145 WeakPolarHBondContact O-CG 3.25Å; F141-L145 PolarHBondContact O-N 2.84Å; F142-L145 PolarHBondContact O-N 3.49Å; L145-A148 PolarHBondContact O-N 2.78Å; L145-Y149 WeakPolarHBondContact O-CB 3.39Å; L145-Y149 PolarHBondContact O-N 3.25Å |
| 146 | D | 93.7 | Very high | 86.9 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.011 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.5 | -42.7 | 179.8 | -162.2 | 71 | 0 | 0 | 0 | 111.9 | V118 F142 R143 V144 A148 Y149 N150 Y201 R205 | V118-D146 HydrophobicContact CG1-CB 4.26Å; V118-D146 WeakPolarHBondContact CG1-OD1 3.07Å; F142-D146 HydrophobicContact CE2-CB 4Å; F142-D146 HydrophobicContact CZ-CB 3.94Å; F142-D146 WeakPolarHBondContact O-CB 3.35Å; F142-D146 PolarHBondContact O-N 2.92Å; R143-D146 PolarHBondContact O-N 2.95Å; V144-D146 PolarHBondContact O-N 2.86Å; D146-A148 VanDerWaalsContact C-N 3.34Å; D146-A148 PolarHBondContact O-N 3.47Å; D146-Y149 PolarHBondContact O-N 2.97Å; D146-N150 PolarHBondContact O-N 3.41Å; D146-N150 PolarHBondContact O-ND2 3.09Å; D146-N150 PolarHBondContact OD2-ND2 2.86Å; D146-Y201 PolarHBondContact OD2-OH 3.36Å; D146-R205 VanDerWaalsContact CG-NE 3.25Å; D146-R205 VanDerWaalsContact CG-NH2 3.26Å; D146-R205 IonicContact OD1-CZ 3.08Å; D146-R205 IonicContact OD1-NE 2.71Å; D146-R205 PolarHBondContact OD1-NE 2.84Å; D146-R205 IonicContact OD1-NH2 3.8Å; D146-R205 PolarHBondContact OD1-NH2 3.42Å; D146-R205 IonicContact OD2-CZ 3.28Å; D146-R205 VanDerWaalsContact OD2-CZ 3.28Å; D146-R205 IonicContact OD2-NE 3.09Å; D146-R205 PolarHBondContact OD2-NE 3.13Å; D146-R205 VanDerWaalsContact OD2-NE 3.09Å; D146-R205 IonicContact OD2-NH2 3.13Å; D146-R205 PolarHBondContact OD2-NH2 2.9Å; D146-R205 VanDerWaalsContact OD2-NH2 3.09Å |
| 147 | A | 95.1 | Very high | 89 | Confident | 34 Ų | 34 | 53 Ų | 53 | 28% | 0.281 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.1 | -45 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | R143 V144 Y149 N150 F151 L193 | R143-A147 WeakPolarHBondContact O-CB 3.33Å; R143-A147 PolarHBondContact O-N 2.94Å; V144-A147 PolarHBondContact O-N 3.46Å; A147-Y149 VanDerWaalsContact C-N 3.31Å; A147-Y149 PolarHBondContact O-N 3.33Å; A147-N150 PolarHBondContact O-N 3.17Å; A147-F151 VanDerWaalsContact O-CB 3.26Å; A147-F151 WeakPolarHBondContact O-CB 3.45Å; A147-F151 PolarHBondContact O-N 2.89Å; A147-L193 HydrophobicContact CB-CD1 4.13Å; A147-L193 WeakPolarHBondContact O-CD1 3.46Å |
| 148 | A | 97 | Very high | 90.7 | Very high | 44 Ų | 44 | 49.1 Ų | 49.1 | 36% | 0.364 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.2 | -41 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F114 V144 L145 D146 F152 | F114-A148 HydrophobicContact CZ-CB 4.21Å; V144-A148 WeakPolarHBondContact O-CB 3.31Å; V144-A148 PolarHBondContact O-N 3.36Å; L145-A148 PolarHBondContact O-N 2.78Å; D146-A148 VanDerWaalsContact C-N 3.34Å; D146-A148 PolarHBondContact O-N 3.47Å; A148-F152 WeakPolarHBondContact O-CB 3.41Å; A148-F152 PolarHBondContact O-N 3.23Å |
| 149 | Y | 97.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -48.9 | 176.6 | -179.1 | -94 | 0 | 0 | 0 | 112.5 | L111 F114 A115 V118 L145 D146 A147 F152 L153 L209 S212 | L111-Y149 HydrophobicContact CD2-CD2 4.35Å; L111-Y149 HydrophobicContact CD2-CE2 3.72Å; F114-Y149 HydrophobicContact CB-CD2 4.15Å; F114-Y149 HydrophobicContact CB-CE2 4.39Å; F114-Y149 AromaticContact CD1-CD2 3.65Å; F114-Y149 HydrophobicContact CD1-CD2 3.65Å; F114-Y149 HydrophobicContact CD1-CG 4.49Å; F114-Y149 HydrophobicContact CE1-CD2 4.15Å; F114-Y149 AromaticContact CG-CD2 3.87Å; F114-Y149 HydrophobicContact CG-CD2 3.87Å; A115-Y149 HydrophobicContact CB-CE2 3.64Å; V118-Y149 HydrophobicContact CG2-CD2 4.4Å; V118-Y149 HydrophobicContact CG2-CG 4.34Å; L145-Y149 WeakPolarHBondContact O-CB 3.39Å; L145-Y149 PolarHBondContact O-N 3.25Å; D146-Y149 PolarHBondContact O-N 2.97Å; A147-Y149 VanDerWaalsContact C-N 3.31Å; A147-Y149 PolarHBondContact O-N 3.33Å; Y149-F152 PolarHBondContact O-N 3.43Å; Y149-L153 HydrophobicContact CD1-CD1 3.97Å; Y149-L153 HydrophobicContact CE1-CD1 3.4Å; Y149-L153 HydrophobicContact CE1-CG 4.08Å; Y149-L153 PolarHBondContact O-N 3.05Å; Y149-L209 HydrophobicContact CD1-CD2 4.17Å; Y149-L209 HydrophobicContact CE1-CD2 4.12Å; Y149-S212 VanDerWaalsContact OH-CB 3.26Å; Y149-S212 WeakPolarHBondContact OH-CB 3.34Å |
| 150 | N | 97.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.3 | -37.5 | 178.5 | -63.5 | -59 | 0 | 0 | 0 | 111.9 | D146 A147 F152 L153 V154 L193 R205 | D146-N150 PolarHBondContact O-N 3.41Å; D146-N150 PolarHBondContact O-ND2 3.09Å; D146-N150 PolarHBondContact OD2-ND2 2.86Å; A147-N150 PolarHBondContact O-N 3.17Å; N150-F152 VanDerWaalsContact C-N 3.31Å; N150-F152 PolarHBondContact O-N 3.35Å; N150-L153 WeakPolarHBondContact O-CB 3.39Å; N150-L153 PolarHBondContact O-N 3.26Å; N150-V154 WeakPolarHBondContact O-CG2 3.44Å; N150-V154 PolarHBondContact O-N 3.44Å; N150-L193 HydrophobicContact CB-CB 3.89Å; N150-L193 HydrophobicContact CB-CD1 4.14Å; N150-R205 PolarHBondContact ND2-NH2 3.27Å; N150-R205 VanDerWaalsContact ND2-NH2 3.14Å; N150-R205 PolarHBondContact OD1-NH1 3.22Å; N150-R205 PolarHBondContact OD1-NH2 3.42Å |
| 151 | F | 97.9 | Very high | 94.7 | Very high | 132 Ų | 132 | 38.3 Ų | 38.3 | 58% | 0.579 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -60 | -43.2 | 173.2 | 179.2 | -97.2 | 0 | 0 | 0 | 111.4 | A147 L153 V154 W155 L193 | A147-F151 VanDerWaalsContact O-CB 3.26Å; A147-F151 WeakPolarHBondContact O-CB 3.45Å; A147-F151 PolarHBondContact O-N 2.89Å; F151-L153 VanDerWaalsContact C-N 3.31Å; F151-L153 PolarHBondContact O-N 3.5Å; F151-V154 PolarHBondContact O-N 2.98Å; F151-W155 PolarHBondContact O-N 3.29Å; F151-L193 HydrophobicContact CB-CD1 4.32Å; F151-L193 HydrophobicContact CB-CD2 4.29Å; F151-L193 HydrophobicContact CD2-CD2 4.26Å |
| 152 | F | 98.3 | Very high | 95 | Very high | 47 Ų | 47 | 36.7 Ų | 36.7 | 21% | 0.206 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.9 | -36.2 | 176.5 | -167.7 | -120.7 | 0 | 0 | 0 | 112.3 | V107 I110 L111 A148 Y149 N150 W155 Y156 | V107-F152 HydrophobicContact CG1-CE1 3.8Å; V107-F152 HydrophobicContact CG1-CZ 3.83Å; I110-F152 HydrophobicContact CB-CE1 4.19Å; I110-F152 HydrophobicContact CG2-CE1 3.62Å; I110-F152 HydrophobicContact CG2-CZ 3.98Å; L111-F152 HydrophobicContact CD2-CD1 3.52Å; L111-F152 HydrophobicContact CD2-CE1 4.06Å; L111-F152 HydrophobicContact CG-CD1 3.96Å; L111-F152 HydrophobicContact CG-CE1 3.97Å; A148-F152 WeakPolarHBondContact O-CB 3.41Å; A148-F152 PolarHBondContact O-N 3.23Å; Y149-F152 PolarHBondContact O-N 3.43Å; N150-F152 VanDerWaalsContact C-N 3.31Å; N150-F152 PolarHBondContact O-N 3.35Å; F152-W155 AromaticContact CD2-CE3 3.73Å; F152-W155 HydrophobicContact CD2-CE3 3.73Å; F152-W155 HydrophobicContact CD2-CZ3 4.1Å; F152-W155 AromaticContact CE2-CE3 3.5Å; F152-W155 HydrophobicContact CE2-CE3 3.5Å; F152-W155 HydrophobicContact CE2-CH2 4.37Å; F152-W155 AromaticContact CE2-CZ3 3.37Å; F152-W155 HydrophobicContact CE2-CZ3 3.37Å; F152-W155 HydrophobicContact CZ-CE3 4.27Å; F152-W155 AromaticContact CZ-CZ3 3.85Å; F152-W155 HydrophobicContact CZ-CZ3 3.85Å; F152-Y156 VanDerWaalsContact O-CB 3.28Å; F152-Y156 WeakPolarHBondContact O-CB 3.44Å; F152-Y156 PolarHBondContact O-N 2.84Å |
| 153 | L | 97.8 | Very high | 95.4 | Very high | 11 Ų | 11 | 38.4 Ų | 38.4 | 6% | 0.058 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.5 | -44.7 | 171.8 | -77 | 172.6 | 0 | 0 | 0 | 112.9 | L111 Y149 N150 F151 Y156 Y157 S189 | L111-L153 HydrophobicContact CD1-CD2 3.72Å; L111-L153 HydrophobicContact CD2-CD2 3.59Å; L111-L153 HydrophobicContact CD2-CG 3.87Å; L111-L153 HydrophobicContact CG-CD2 4.3Å; Y149-L153 HydrophobicContact CD1-CD1 3.97Å; Y149-L153 HydrophobicContact CE1-CD1 3.4Å; Y149-L153 HydrophobicContact CE1-CG 4.08Å; Y149-L153 PolarHBondContact O-N 3.05Å; N150-L153 WeakPolarHBondContact O-CB 3.39Å; N150-L153 PolarHBondContact O-N 3.26Å; F151-L153 VanDerWaalsContact C-N 3.31Å; F151-L153 PolarHBondContact O-N 3.5Å; L153-Y156 PolarHBondContact O-N 2.76Å; L153-Y157 HydrophobicContact CD2-CE2 3.93Å; L153-Y157 VanDerWaalsContact O-CD2 3.27Å; L153-Y157 WeakPolarHBondContact O-CD2 3.5Å; L153-Y157 PolarHBondContact O-N 2.86Å; L153-S189 WeakPolarHBondContact CB-OG 3.46Å |
| 154 | V | 98.2 | Very high | 95.5 | Very high | 35 Ų | 35 | 35.1 Ų | 35.1 | 21% | 0.212 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.3 | -50.8 | 175.8 | 173 | 0 | 0 | 0 | 0 | 110 | N150 F151 Y156 Y157 C158 S189 | N150-V154 WeakPolarHBondContact O-CG2 3.44Å; N150-V154 PolarHBondContact O-N 3.44Å; F151-V154 PolarHBondContact O-N 2.98Å; V154-Y156 VanDerWaalsContact C-N 3.31Å; V154-Y156 PolarHBondContact O-N 2.98Å; V154-Y157 PolarHBondContact O-N 2.68Å; V154-C158 VanDerWaalsContact O-CB 3.3Å; V154-C158 WeakPolarHBondContact O-CB 3.21Å; V154-C158 PolarHBondContact O-N 2.87Å; V154-C158 PolarHBondContact O-SG 3.5Å; V154-S189 VanDerWaalsContact CG2-C 3.47Å |
| 155 | W | 98 | Very high | 95.4 | Very high | 114 Ų | 114 | 30.6 Ų | 30.6 | 43% | 0.432 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -57.5 | -44.6 | 177.1 | 171.3 | 79.6 | 0 | 0 | 0 | 112 | F103 V107 F151 F152 T159 | F103-W155 AromaticContact CE2-CH2 3.81Å; F103-W155 HydrophobicContact CE2-CH2 3.81Å; F103-W155 HydrophobicContact CE2-CZ2 4.43Å; F103-W155 HydrophobicContact CE2-CZ3 4.35Å; F103-W155 HydrophobicContact CZ-CH2 4.3Å; V107-W155 HydrophobicContact CG1-CZ3 4.39Å; V107-W155 HydrophobicContact CG2-CH2 4.48Å; V107-W155 HydrophobicContact CG2-CZ3 4.17Å; F151-W155 PolarHBondContact O-N 3.29Å; F152-W155 AromaticContact CD2-CE3 3.73Å; F152-W155 HydrophobicContact CD2-CE3 3.73Å; F152-W155 HydrophobicContact CD2-CZ3 4.1Å; F152-W155 AromaticContact CE2-CE3 3.5Å; F152-W155 HydrophobicContact CE2-CE3 3.5Å; F152-W155 HydrophobicContact CE2-CH2 4.37Å; F152-W155 AromaticContact CE2-CZ3 3.37Å; F152-W155 HydrophobicContact CE2-CZ3 3.37Å; F152-W155 HydrophobicContact CZ-CE3 4.27Å; F152-W155 AromaticContact CZ-CZ3 3.85Å; F152-W155 HydrophobicContact CZ-CZ3 3.85Å; W155-T159 VanDerWaalsContact O-CB 3.28Å; W155-T159 WeakPolarHBondContact O-CB 3.46Å; W155-T159 PolarHBondContact O-N 3.49Å; W155-T159 PolarHBondContact O-OG1 3.37Å |
| 156 | Y | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.5 | -54.9 | 179.3 | 171.7 | -121.7 | 0 | 0 | 0 | 111.9 | F103 V107 L111 F152 L153 V154 C158 T159 L160 | F103-Y156 AromaticContact CE1-CD2 3.98Å; F103-Y156 HydrophobicContact CE1-CD2 3.98Å; F103-Y156 AromaticContact CE1-CE2 3.92Å; F103-Y156 HydrophobicContact CE1-CE2 3.92Å; F103-Y156 AromaticContact CZ-CD2 3.96Å; F103-Y156 HydrophobicContact CZ-CD2 3.96Å; F103-Y156 HydrophobicContact CZ-CE2 4.33Å; V107-Y156 HydrophobicContact CB-CD2 3.73Å; V107-Y156 HydrophobicContact CB-CE2 3.8Å; V107-Y156 HydrophobicContact CG1-CD1 4.43Å; V107-Y156 HydrophobicContact CG1-CD2 3.27Å; V107-Y156 HydrophobicContact CG1-CE2 3.79Å; V107-Y156 HydrophobicContact CG1-CG 3.63Å; V107-Y156 HydrophobicContact CG2-CD2 4.29Å; L111-Y156 HydrophobicContact CD1-CD1 3.83Å; L111-Y156 HydrophobicContact CD1-CE1 4.24Å; L111-Y156 HydrophobicContact CD1-CG 4.26Å; F152-Y156 VanDerWaalsContact O-CB 3.28Å; F152-Y156 WeakPolarHBondContact O-CB 3.44Å; F152-Y156 PolarHBondContact O-N 2.84Å; L153-Y156 PolarHBondContact O-N 2.76Å; V154-Y156 VanDerWaalsContact C-N 3.31Å; V154-Y156 PolarHBondContact O-N 2.98Å; Y156-C158 PolarHBondContact O-N 3.4Å; Y156-T159 PolarHBondContact O-N 3.3Å; Y156-L160 HydrophobicContact CE1-CD1 4.07Å; Y156-L160 HydrophobicContact CE2-CD1 3.91Å; Y156-L160 VanDerWaalsContact O-CB 3.28Å; Y156-L160 WeakPolarHBondContact O-CB 3.4Å; Y156-L160 PolarHBondContact O-N 3.28Å; Y156-L160 WeakPolarHBondContact OH-CD1 3.3Å |
| 157 | Y | 97.4 | Very high | 95.1 | Very high | 22 Ų | 22 | 30.8 Ų | 30.8 | 9% | 0.086 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.8 | -37.6 | -176.4 | -72.8 | -59.7 | 0 | 0 | 0 | 112.5 | L153 V154 L160 T161 | L153-Y157 HydrophobicContact CD2-CE2 3.93Å; L153-Y157 VanDerWaalsContact O-CD2 3.27Å; L153-Y157 WeakPolarHBondContact O-CD2 3.5Å; L153-Y157 PolarHBondContact O-N 2.86Å; V154-Y157 PolarHBondContact O-N 2.68Å; Y157-L160 PolarHBondContact O-N 3.36Å; Y157-T161 WeakPolarHBondContact O-CG2 3.42Å; Y157-T161 PolarHBondContact O-N 3.16Å; Y157-T161 PolarHBondContact O-OG1 3.16Å |
| 158 | C | 95.7 | Very high | 94.6 | Very high | 51 Ų | 51 | 31 Ų | 31 | 35% | 0.345 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -62.9 | -42.6 | 172.5 | -71.7 | 0 | 0 | 0 | 0 | 112 | V154 Y156 L160 T161 I162 | V154-C158 VanDerWaalsContact O-CB 3.3Å; V154-C158 WeakPolarHBondContact O-CB 3.21Å; V154-C158 PolarHBondContact O-N 2.87Å; V154-C158 PolarHBondContact O-SG 3.5Å; Y156-C158 PolarHBondContact O-N 3.4Å; C158-L160 VanDerWaalsContact C-N 3.28Å; C158-L160 PolarHBondContact O-N 2.92Å; C158-T161 PolarHBondContact O-OG1 2.88Å; C158-I162 WeakPolarHBondContact O-CG1 3.43Å; C158-I162 PolarHBondContact O-N 2.99Å |
| 159 | T | 96 | Very high | 94 | Very high | 33 Ų | 33 | 31 Ų | 31 | 20% | 0.202 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.3 | -40.1 | 175.6 | -59.7 | 0 | 0 | 0 | 0 | 110.7 | F103 W155 Y156 R163 | F103-T159 HydrophobicContact CE1-CG2 3.96Å; F103-T159 HydrophobicContact CE2-CG2 4.17Å; F103-T159 HydrophobicContact CZ-CG2 3.52Å; W155-T159 VanDerWaalsContact O-CB 3.28Å; W155-T159 WeakPolarHBondContact O-CB 3.46Å; W155-T159 PolarHBondContact O-N 3.49Å; W155-T159 PolarHBondContact O-OG1 3.37Å; Y156-T159 PolarHBondContact O-N 3.3Å; T159-R163 HydrophobicContact CG2-CG 4.38Å; T159-R163 VanDerWaalsContact O-CG 3.29Å; T159-R163 WeakPolarHBondContact O-CG 3.1Å; T159-R163 PolarHBondContact O-N 3.45Å |
| 160 | L | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64.6 | -46.6 | -179 | -165.8 | 158.7 | 0 | 0 | 0 | 111.2 | Y100 K104 Y156 Y157 C158 I162 R163 E164 H182 | Y100-L160 HydrophobicContact CE2-CG 4.33Å; K104-L160 HydrophobicContact CD-CD1 3.97Å; K104-L160 HydrophobicContact CD-CG 4.49Å; K104-L160 HydrophobicContact CG-CD1 4.1Å; Y156-L160 HydrophobicContact CE1-CD1 4.07Å; Y156-L160 HydrophobicContact CE2-CD1 3.91Å; Y156-L160 VanDerWaalsContact O-CB 3.28Å; Y156-L160 WeakPolarHBondContact O-CB 3.4Å; Y156-L160 PolarHBondContact O-N 3.28Å; Y156-L160 WeakPolarHBondContact OH-CD1 3.3Å; Y157-L160 PolarHBondContact O-N 3.36Å; C158-L160 VanDerWaalsContact C-N 3.28Å; C158-L160 PolarHBondContact O-N 2.92Å; L160-I162 PolarHBondContact O-N 2.94Å; L160-R163 PolarHBondContact O-N 2.82Å; L160-E164 HydrophobicContact CD2-CG 3.82Å; L160-E164 WeakPolarHBondContact CD2-OE1 3.36Å; L160-E164 WeakPolarHBondContact O-CB 3.33Å; L160-E164 WeakPolarHBondContact O-CG 3.37Å; L160-E164 PolarHBondContact O-N 3.26Å; L160-H182 HydrophobicContact CD2-CB 4.07Å; L160-H182 WeakPolarHBondContact CD2-CE1 3.35Å; L160-H182 VanDerWaalsContact CD2-CG 3.48Å; L160-H182 WeakPolarHBondContact CD2-ND1 3.34Å |
| 161 | T | 93.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63 | -39.2 | 179 | 54.6 | 0 | 0 | 0 | 0 | 112.7 | Y157 C158 S165 H182 Y183 | Y157-T161 WeakPolarHBondContact O-CG2 3.42Å; Y157-T161 PolarHBondContact O-N 3.16Å; Y157-T161 PolarHBondContact O-OG1 3.16Å; C158-T161 PolarHBondContact O-OG1 2.88Å; T161-S165 VanDerWaalsContact O-CB 3.3Å; T161-S165 WeakPolarHBondContact O-CB 3.29Å; T161-S165 PolarHBondContact O-N 3.34Å; T161-S165 PolarHBondContact O-OG 3.03Å; T161-H182 HydrophobicContact CG2-CB 3.72Å; T161-Y183 VanDerWaalsContact CB-CE1 3.5Å; T161-Y183 HydrophobicContact CG2-CD1 3.61Å; T161-Y183 HydrophobicContact CG2-CD2 4.14Å; T161-Y183 HydrophobicContact CG2-CE1 3.65Å; T161-Y183 HydrophobicContact CG2-CE2 4.2Å; T161-Y183 HydrophobicContact CG2-CG 3.84Å |
| 162 | I | 92 | Very high | 91.9 | Very high | 50 Ų | 50 | 27.3 Ų | 27.3 | 26% | 0.256 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.5 | -49.2 | 173.6 | -65.1 | 168 | 0 | 0 | 0 | 110.3 | Y75 I79 C158 L160 E164 S165 I166 | Y75-I162 HydrophobicContact CE1-CG1 4.28Å; Y75-I162 WeakPolarHBondContact OH-CG1 3.25Å; I79-I162 HydrophobicContact CD1-CG1 4.34Å; C158-I162 WeakPolarHBondContact O-CG1 3.43Å; C158-I162 PolarHBondContact O-N 2.99Å; L160-I162 PolarHBondContact O-N 2.94Å; I162-E164 PolarHBondContact O-N 3.48Å; I162-S165 WeakPolarHBondContact O-CB 3.42Å; I162-S165 PolarHBondContact O-N 2.88Å; I162-I166 HydrophobicContact CG2-CD1 4.13Å; I162-I166 WeakPolarHBondContact O-CG1 3.48Å; I162-I166 PolarHBondContact O-N 2.9Å |
| 163 | R | 93 | Very high | 90.9 | Very high | 42 Ų | 42 | 33 Ų | 33 | 16% | 0.158 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.2 | -37.5 | -177.8 | -68.5 | -172.5 | 76.3 | 163.3 | 5.1 | 112.7 | Y96 Y100 F103 T159 L160 I166 L167 | Y96-R163 WeakPolarHBondContact OH-CG 3.17Å; Y100-R163 HydrophobicContact CD2-CB 3.82Å; Y100-R163 HydrophobicContact CE2-CB 4.34Å; Y100-R163 VanDerWaalsContact N-NH2 3.16Å; F103-R163 VanDerWaalsContact CB-NH1 3.27Å; T159-R163 HydrophobicContact CG2-CG 4.38Å; T159-R163 VanDerWaalsContact O-CG 3.29Å; T159-R163 WeakPolarHBondContact O-CG 3.1Å; T159-R163 PolarHBondContact O-N 3.45Å; L160-R163 PolarHBondContact O-N 2.82Å; R163-I166 PolarHBondContact O-N 2.95Å; R163-L167 WeakPolarHBondContact O-CG 3.08Å; R163-L167 PolarHBondContact O-N 3.15Å |
| 164 | E | 91.5 | Very high | 90.1 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.5 | -36.8 | 174.9 | -75.2 | -170.9 | 166.4 | 0 | 0 | 112.7 | Y100 L160 I162 L167 R168 I174 L179 H182 | Y100-E164 HydrophobicContact CE2-CG 3.74Å; Y100-E164 WeakPolarHBondContact OH-CG 3.27Å; Y100-E164 PolarHBondContact OH-OE1 2.95Å; L160-E164 HydrophobicContact CD2-CG 3.82Å; L160-E164 WeakPolarHBondContact CD2-OE1 3.36Å; L160-E164 WeakPolarHBondContact O-CB 3.33Å; L160-E164 WeakPolarHBondContact O-CG 3.37Å; L160-E164 PolarHBondContact O-N 3.26Å; I162-E164 PolarHBondContact O-N 3.48Å; E164-L167 WeakPolarHBondContact O-CB 3.37Å; E164-L167 PolarHBondContact O-N 3.31Å; E164-R168 PolarHBondContact O-N 3.4Å; E164-I174 HydrophobicContact CB-CD1 3.75Å; E164-I174 HydrophobicContact CG-CD1 3.83Å; E164-L179 HydrophobicContact CB-CD1 3.85Å; E164-L179 WeakPolarHBondContact OE2-CD1 3.48Å; E164-H182 IonicContact OE1-CE1 3.93Å; E164-H182 PolarHBondContact OE1-CE1 3.43Å; E164-H182 IonicContact OE1-ND1 3.63Å; E164-H182 PolarHBondContact OE1-ND1 3.32Å; E164-H182 IonicContact OE2-CE1 3.69Å; E164-H182 PolarHBondContact OE2-CE1 3.12Å; E164-H182 IonicContact OE2-ND1 3.09Å; E164-H182 PolarHBondContact OE2-ND1 3.45Å |
| 165 | S | 89.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 174 | -63.9 | 0 | 0 | 0 | 0 | 110.9 | T72 T161 I162 L167 R168 C169 | T72-S165 VanDerWaalsContact CG2-CA 3.44Å; T72-S165 VanDerWaalsContact CG2-CB 3.47Å; T72-S165 WeakPolarHBondContact CG2-O 3.33Å; T161-S165 VanDerWaalsContact O-CB 3.3Å; T161-S165 WeakPolarHBondContact O-CB 3.29Å; T161-S165 PolarHBondContact O-N 3.34Å; T161-S165 PolarHBondContact O-OG 3.03Å; I162-S165 WeakPolarHBondContact O-CB 3.42Å; I162-S165 PolarHBondContact O-N 2.88Å; S165-L167 VanDerWaalsContact C-N 3.32Å; S165-L167 PolarHBondContact O-N 3.45Å; S165-R168 WeakPolarHBondContact O-CB 3.34Å; S165-R168 PolarHBondContact O-N 3.49Å; S165-C169 PolarHBondContact O-N 3.36Å; S165-C169 VanDerWaalsContact O-N 3.07Å; S165-C169 PolarHBondContact O-SG 2.98Å |
| 166 | I | 89.3 | Confident | 88.4 | Confident | 24 Ų | 24 | 31.1 Ų | 31.1 | 12% | 0.123 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.2 | -41.1 | 174.1 | -65.2 | 165.7 | 0 | 0 | 0 | 110.9 | L76 L80 Y96 I162 R163 R168 C169 N170 | L76-I166 HydrophobicContact CD1-CG1 4.07Å; L76-I166 HydrophobicContact CD2-CG1 3.94Å; L80-I166 HydrophobicContact CD1-CD1 4.47Å; Y96-I166 HydrophobicContact CD1-CG2 4.5Å; Y96-I166 HydrophobicContact CE1-CB 4.19Å; Y96-I166 HydrophobicContact CE1-CG2 3.75Å; Y96-I166 WeakPolarHBondContact OH-CD1 3.43Å; I162-I166 HydrophobicContact CG2-CD1 4.13Å; I162-I166 WeakPolarHBondContact O-CG1 3.48Å; I162-I166 PolarHBondContact O-N 2.9Å; R163-I166 PolarHBondContact O-N 2.95Å; I166-R168 VanDerWaalsContact C-N 3.35Å; I166-R168 PolarHBondContact O-N 3.29Å; I166-C169 PolarHBondContact O-N 3.12Å; I166-N170 PolarHBondContact O-N 3.02Å; I166-N170 VanDerWaalsContact O-N 3.15Å; I166-N170 PolarHBondContact O-ND2 2.9Å |
| 167 | L | 90.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.2 | -40.1 | 176.2 | -78.2 | 170.1 | 0 | 0 | 0 | 112.4 | Y96 K97 Y100 R163 E164 S165 N170 G171 S172 I174 M242 I244 | Y96-L167 HydrophobicContact CD1-CD2 3.79Å; Y96-L167 HydrophobicContact CD1-CG 4.22Å; Y96-L167 HydrophobicContact CE1-CD2 4.08Å; Y96-L167 HydrophobicContact CE1-CG 3.97Å; K97-L167 HydrophobicContact CB-CD2 3.92Å; K97-L167 HydrophobicContact CG-CD2 4.26Å; Y100-L167 HydrophobicContact CD1-CD1 3.55Å; Y100-L167 HydrophobicContact CD2-CD1 4.04Å; Y100-L167 HydrophobicContact CE1-CD1 3.78Å; Y100-L167 HydrophobicContact CE2-CD1 4.23Å; Y100-L167 HydrophobicContact CG-CD1 3.69Å; R163-L167 WeakPolarHBondContact O-CG 3.08Å; R163-L167 PolarHBondContact O-N 3.15Å; E164-L167 WeakPolarHBondContact O-CB 3.37Å; E164-L167 PolarHBondContact O-N 3.31Å; S165-L167 VanDerWaalsContact C-N 3.32Å; S165-L167 PolarHBondContact O-N 3.45Å; L167-N170 CarbonylContact O-C 3.5Å; L167-N170 PolarHBondContact O-N 2.79Å; L167-N170 VanDerWaalsContact O-N 3.16Å; L167-G171 PolarHBondContact O-N 2.85Å; L167-S172 WeakPolarHBondContact O-CB 3.34Å; L167-S172 PolarHBondContact O-N 3.41Å; L167-I174 HydrophobicContact CB-CD1 4.28Å; L167-M242 HydrophobicContact CD2-CE 3.88Å; L167-I244 HydrophobicContact CD1-CG2 3.94Å |
| 168 | R | 86 | Confident | 87.5 | Confident | 40 Ų | 40 | 32.7 Ų | 32.7 | 15% | 0.151 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.1 | -47.1 | 175.3 | -87.3 | -164.8 | 176 | 172.8 | 8.7 | 112 | T72 E164 S165 I166 N170 G171 S172 I174 K175 G176 | T72-R168 HydrophobicContact CG2-CB 4.06Å; T72-R168 PolarHBondContact OG1-NH1 3.13Å; E164-R168 PolarHBondContact O-N 3.4Å; S165-R168 WeakPolarHBondContact O-CB 3.34Å; S165-R168 PolarHBondContact O-N 3.49Å; I166-R168 VanDerWaalsContact C-N 3.35Å; I166-R168 PolarHBondContact O-N 3.29Å; R168-N170 PolarHBondContact O-N 3.06Å; R168-N170 VanDerWaalsContact O-N 3.11Å; R168-G171 PolarHBondContact O-N 2.99Å; R168-S172 WeakPolarHBondContact CA-O 3.23Å; R168-I174 HydrophobicContact CG-CB 4.27Å; R168-I174 HydrophobicContact CG-CD1 4.37Å; R168-I174 HydrophobicContact CG-CG1 4.42Å; R168-I174 PolarHBondContact NE-O 2.92Å; R168-I174 PolarHBondContact NH2-O 3.43Å; R168-K175 PolarHBondContact NH2-O 3.23Å; R168-K175 VanDerWaalsContact NH2-O 3.11Å; R168-G176 VanDerWaalsContact NH2-CA 3.35Å |
| 169 | C | 83.3 | Confident | 87.1 | Confident | 43 Ų | 43 | 30.7 Ų | 30.7 | 29% | 0.291 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -59.1 | -24.4 | 174.8 | -67.2 | 0 | 0 | 0 | 0 | 112.7 | L76 V85 S165 I166 | L76-C169 HydrophobicContact CD1-CB 4.45Å; L76-C169 VanDerWaalsContact CD1-SG 3.53Å; V85-C169 HydrophobicContact CG2-CB 4.13Å; S165-C169 PolarHBondContact O-N 3.36Å; S165-C169 VanDerWaalsContact O-N 3.07Å; S165-C169 PolarHBondContact O-SG 2.98Å; I166-C169 PolarHBondContact O-N 3.12Å |
| 170 | N | 84.5 | Confident | 86.8 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 14 | 178.4 | -75.8 | -78 | 0 | 0 | 0 | 114.6 | V85 I87 R93 I166 L167 R168 M242 | V85-N170 PolarHBondContact O-ND2 2.84Å; I87-N170 WeakPolarHBondContact CA-OD1 3.38Å; I87-N170 WeakPolarHBondContact CB-OD1 3.01Å; I87-N170 PolarHBondContact N-OD1 3.17Å; R93-N170 HydrophobicContact CG-CB 4.36Å; R93-N170 PolarHBondContact NE-OD1 3.1Å; I166-N170 PolarHBondContact O-N 3.02Å; I166-N170 VanDerWaalsContact O-N 3.15Å; I166-N170 PolarHBondContact O-ND2 2.9Å; L167-N170 CarbonylContact O-C 3.5Å; L167-N170 PolarHBondContact O-N 2.79Å; L167-N170 VanDerWaalsContact O-N 3.16Å; R168-N170 PolarHBondContact O-N 3.06Å; R168-N170 VanDerWaalsContact O-N 3.11Å; N170-M242 HydrophobicContact CB-CE 4.17Å |
| 171 | G | 80.7 | Confident | 86.8 | Confident | 46 Ų | 46 | 35 Ų | 35 | 47% | 0.474 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.8 | 9.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | L167 R168 | L167-G171 PolarHBondContact O-N 2.85Å; R168-G171 PolarHBondContact O-N 2.99Å |
| 172 | S | 83.7 | Confident | 86.8 | Confident | 6 Ų | 6 | 35 Ų | 35 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | trans | -74.8 | 127.1 | 170.6 | -161.8 | 0 | 0 | 0 | 0 | 110.9 | L167 R168 I174 M242 | L167-S172 WeakPolarHBondContact O-CB 3.34Å; L167-S172 PolarHBondContact O-N 3.41Å; R168-S172 WeakPolarHBondContact CA-O 3.23Å; S172-I174 VanDerWaalsContact C-N 3.3Å; S172-I174 PolarHBondContact O-N 2.96Å; S172-M242 PolarHBondContact OG-O 3.45Å | ||
| 173 | R | 77.5 | Confident | 86.9 | Confident | 167 Ų | 167 | 35.9 Ų | 35.9 | 63% | 0.63 | 18% | 0.176 | S | C | * | . | trans | -93.2 | 56 | -178.6 | -61.7 | -175.6 | -174.5 | -172 | 2.9 | 111.7 | K175 | R173-K175 PolarHBondContact O-N 3.46Š| ||
| 174 | I | 80.3 | Confident | 87 | Confident | 9 Ų | 9 | 34.5 Ų | 34.5 | 5% | 0.046 | 17% | 0.173 | C | C | . | . | trans | -67.9 | 123.3 | 175.7 | -51.7 | 174.5 | 0 | 0 | 0 | 107.5 | E164 L167 R168 S172 W178 I244 | E164-I174 HydrophobicContact CB-CD1 3.75Å; E164-I174 HydrophobicContact CG-CD1 3.83Å; L167-I174 HydrophobicContact CB-CD1 4.28Å; R168-I174 HydrophobicContact CG-CB 4.27Å; R168-I174 HydrophobicContact CG-CD1 4.37Å; R168-I174 HydrophobicContact CG-CG1 4.42Å; R168-I174 PolarHBondContact NE-O 2.92Å; R168-I174 PolarHBondContact NH2-O 3.43Å; S172-I174 VanDerWaalsContact C-N 3.3Å; S172-I174 PolarHBondContact O-N 2.96Å; I174-W178 HydrophobicContact CG2-CB 4.2Å; I174-I244 HydrophobicContact CD1-CD1 3.39Å; I174-I244 HydrophobicContact CD1-CG1 4.11Å; I174-I244 HydrophobicContact CG1-CD1 3.64Å; I174-I244 HydrophobicContact CG1-CG1 3.86Å | ||
| 175 | K | 79.4 | Confident | 87.2 | Confident | 81 Ų | 81 | 35 Ų | 35 | 35% | 0.352 | 18% | 0.178 | S | C | . | . | trans | -65.1 | 150.9 | -178.8 | -64.3 | -177.8 | 170.5 | -177.9 | 0 | 111.5 | R168 R173 W177 W178 L179 | R168-K175 PolarHBondContact NH2-O 3.23Å; R168-K175 VanDerWaalsContact NH2-O 3.11Å; R173-K175 PolarHBondContact O-N 3.46Å; K175-W177 PolarHBondContact O-N 3.18Å; K175-W178 PolarHBondContact O-N 3.45Å; K175-W178 VanDerWaalsContact O-N 3.14Å; K175-L179 PolarHBondContact O-N 3.21Å | ||
| 176 | G | 80.4 | Confident | 87.6 | Confident | 30 Ų | 30 | 35.7 Ų | 35.7 | 31% | 0.309 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -43.6 | -54.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R168 W178 L179 F180 | R168-G176 VanDerWaalsContact NH2-CA 3.35Å; G176-W178 VanDerWaalsContact C-N 3.35Å; G176-W178 PolarHBondContact O-N 2.83Å; G176-L179 PolarHBondContact O-N 3.02Å; G176-L179 VanDerWaalsContact O-N 3.16Å; G176-F180 WeakPolarHBondContact O-CB 3.48Å; G176-F180 PolarHBondContact O-N 3.17Å |
| 177 | W | 89.3 | Confident | 88 | Confident | 52 Ų | 52 | 38.3 Ų | 38.3 | 20% | 0.197 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.8 | -43.5 | -178.7 | 178.4 | -104.5 | 0 | 0 | 0 | 113.8 | K175 L179 F180 H181 V302 G305 N306 T309 | K175-W177 PolarHBondContact O-N 3.18Å; W177-L179 VanDerWaalsContact C-N 3.26Å; W177-L179 PolarHBondContact O-N 2.93Å; W177-F180 HydrophobicContact CE3-CD1 4.01Å; W177-F180 HydrophobicContact CH2-CD1 4.36Å; W177-F180 AromaticContact CZ3-CD1 3.68Å; W177-F180 HydrophobicContact CZ3-CD1 3.68Å; W177-F180 HydrophobicContact CZ3-CE1 4.02Å; W177-F180 PolarHBondContact O-N 3.41Å; W177-F180 VanDerWaalsContact O-N 3.15Å; W177-H181 HydrophobicContact CZ2-CB 4.16Å; W177-H181 PolarHBondContact O-CD2 3.39Å; W177-H181 VanDerWaalsContact O-CD2 3.31Å; W177-H181 PolarHBondContact O-N 2.94Å; W177-V302 WeakPolarHBondContact CZ2-O 3.11Å; W177-G305 VanDerWaalsContact CE2-C 3.41Å; W177-G305 VanDerWaalsContact CH2-CA 3.46Å; W177-N306 PolarHBondContact NE1-OD1 3.14Å; W177-T309 HydrophobicContact CB-CG2 3.84Å; W177-T309 HydrophobicContact CD2-CG2 4.24Å; W177-T309 HydrophobicContact CG-CG2 3.54Å |
| 178 | W | 88.2 | Confident | 88.3 | Confident | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.015 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.6 | -19.9 | -178 | -58.5 | 126.3 | 0 | 0 | 0 | 113.5 | I174 K175 G176 H181 H182 V246 E247 H250 | I174-W178 HydrophobicContact CG2-CB 4.2Å; K175-W178 PolarHBondContact O-N 3.45Å; K175-W178 VanDerWaalsContact O-N 3.14Å; G176-W178 VanDerWaalsContact C-N 3.35Å; G176-W178 PolarHBondContact O-N 2.83Å; W178-H181 WeakPolarHBondContact CA-CD2 3.49Å; W178-H181 AromaticContact CE3-CE1 3.9Å; W178-H181 AromaticContact CE3-NE2 3.59Å; W178-H181 PolarHBondContact O-CD2 2.98Å; W178-H181 PolarHBondContact O-NE2 2.87Å; W178-H182 PolarHBondContact O-CE1 3.31Å; W178-H182 PolarHBondContact O-ND1 3.17Å; W178-V246 HydrophobicContact CB-CG1 4.03Å; W178-V246 HydrophobicContact CD2-CG1 3.22Å; W178-V246 HydrophobicContact CE3-CG1 3.76Å; W178-V246 HydrophobicContact CG-CG1 3.31Å; W178-V246 HydrophobicContact CZ2-CG1 4.12Å; W178-V246 HydrophobicContact CZ3-CG1 4.43Å; W178-E247 WeakPolarHBondContact CZ3-O 3.4Å; W178-H250 AromaticContact CD1-NE2 3.36Å; W178-H250 AromaticContact CE2-NE2 3.96Å; W178-H250 AromaticContact NE1-CD2 3.72Å; W178-H250 AromaticContact NE1-CE1 3.75Å; W178-H250 AromaticContact NE1-NE2 2.94Å; W178-H250 PolarHBondContact NE1-NE2 3.38Å |
| 179 | L | 87.6 | Confident | 88.8 | Confident | 8 Ų | 8 | 37.5 Ų | 37.5 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -84 | -41.3 | 167.8 | -179.7 | 62.4 | 0 | 0 | 0 | 110.4 | E164 K175 G176 W177 H182 Y183 | E164-L179 HydrophobicContact CB-CD1 3.85Å; E164-L179 WeakPolarHBondContact OE2-CD1 3.48Å; K175-L179 PolarHBondContact O-N 3.21Å; G176-L179 PolarHBondContact O-N 3.02Å; G176-L179 VanDerWaalsContact O-N 3.16Å; W177-L179 VanDerWaalsContact C-N 3.26Å; W177-L179 PolarHBondContact O-N 2.93Å; L179-H182 PolarHBondContact O-N 3.12Å; L179-Y183 HydrophobicContact CD1-CE2 3.87Å; L179-Y183 HydrophobicContact CD2-CE2 4.11Å; L179-Y183 HydrophobicContact CG-CD2 4.2Å; L179-Y183 HydrophobicContact CG-CE2 3.64Å; L179-Y183 VanDerWaalsContact O-CD2 3.27Å; L179-Y183 WeakPolarHBondContact O-CD2 3.44Å; L179-Y183 PolarHBondContact O-N 3.48Å |
| 180 | F | 89.8 | Confident | 89.5 | Confident | 118 Ų | 118 | 36.5 Ų | 36.5 | 52% | 0.518 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.8 | -45 | -177.6 | 178.2 | -99.5 | 0 | 0 | 0 | 113.2 | G176 W177 H182 Y183 A184 | G176-F180 WeakPolarHBondContact O-CB 3.48Å; G176-F180 PolarHBondContact O-N 3.17Å; W177-F180 HydrophobicContact CE3-CD1 4.01Å; W177-F180 HydrophobicContact CH2-CD1 4.36Å; W177-F180 AromaticContact CZ3-CD1 3.68Å; W177-F180 HydrophobicContact CZ3-CD1 3.68Å; W177-F180 HydrophobicContact CZ3-CE1 4.02Å; W177-F180 PolarHBondContact O-N 3.41Å; W177-F180 VanDerWaalsContact O-N 3.15Å; F180-H182 PolarHBondContact O-N 2.96Å; F180-Y183 WeakPolarHBondContact O-CB 3.44Å; F180-Y183 PolarHBondContact O-N 2.95Å; F180-Y183 VanDerWaalsContact O-N 3.11Å; F180-A184 PolarHBondContact O-N 3.37Å |
| 181 | H | 92.9 | Very high | 90.1 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 2% | 0.023 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.4 | -25.5 | -179.8 | 81.1 | 124.9 | 0 | 0 | 0 | 112.7 | W177 W178 A184 S185 E247 V302 | W177-H181 HydrophobicContact CZ2-CB 4.16Å; W177-H181 PolarHBondContact O-CD2 3.39Å; W177-H181 VanDerWaalsContact O-CD2 3.31Å; W177-H181 PolarHBondContact O-N 2.94Å; W178-H181 WeakPolarHBondContact CA-CD2 3.49Å; W178-H181 AromaticContact CE3-CE1 3.9Å; W178-H181 AromaticContact CE3-NE2 3.59Å; W178-H181 PolarHBondContact O-CD2 2.98Å; W178-H181 PolarHBondContact O-NE2 2.87Å; H181-A184 PolarHBondContact O-N 3.49Å; H181-S185 WeakPolarHBondContact O-CB 3.28Å; H181-S185 PolarHBondContact O-N 2.74Å; H181-S185 PolarHBondContact O-OG 3.24Å; H181-E247 IonicContact CE1-OE2 3.49Å; H181-V302 HydrophobicContact CB-CG1 4.34Å |
| 182 | H | 94.3 | Very high | 90.8 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -68.3 | -39.1 | 171.5 | -63.2 | 145.1 | 0 | 0 | 0 | 111.8 | L160 T161 E164 W178 L179 F180 S185 A186 E247 | L160-H182 HydrophobicContact CD2-CB 4.07Å; L160-H182 WeakPolarHBondContact CD2-CE1 3.35Å; L160-H182 VanDerWaalsContact CD2-CG 3.48Å; L160-H182 WeakPolarHBondContact CD2-ND1 3.34Å; T161-H182 HydrophobicContact CG2-CB 3.72Å; E164-H182 IonicContact OE1-CE1 3.93Å; E164-H182 PolarHBondContact OE1-CE1 3.43Å; E164-H182 IonicContact OE1-ND1 3.63Å; E164-H182 PolarHBondContact OE1-ND1 3.32Å; E164-H182 IonicContact OE2-CE1 3.69Å; E164-H182 PolarHBondContact OE2-CE1 3.12Å; E164-H182 IonicContact OE2-ND1 3.09Å; E164-H182 PolarHBondContact OE2-ND1 3.45Å; W178-H182 PolarHBondContact O-CE1 3.31Å; W178-H182 PolarHBondContact O-ND1 3.17Å; L179-H182 PolarHBondContact O-N 3.12Å; F180-H182 PolarHBondContact O-N 2.96Å; H182-S185 PolarHBondContact O-N 3.43Å; H182-A186 PolarHBondContact O-N 2.92Å; H182-E247 IonicContact CD2-OE2 3.63Å; H182-E247 IonicContact NE2-OE1 3.79Å; H182-E247 IonicContact NE2-OE2 3.36Å |
| 183 | Y | 93.1 | Very high | 91.4 | Very high | 68 Ų | 68 | 37.7 Ų | 37.7 | 27% | 0.267 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.5 | -45 | 170.2 | -71.8 | -68.9 | 0 | 0 | 0 | 111.5 | Y75 T161 L179 F180 S185 A186 V187 | Y75-Y183 WeakPolarHBondContact CD1-OH 3.26Å; Y75-Y183 HydrophobicContact CE1-CE1 4.49Å; Y75-Y183 WeakPolarHBondContact CE1-OH 3.34Å; Y75-Y183 HydrophobicContact CE2-CE1 4.01Å; Y75-Y183 AromaticContact CZ-CE1 3.89Å; T161-Y183 VanDerWaalsContact CB-CE1 3.5Å; T161-Y183 HydrophobicContact CG2-CD1 3.61Å; T161-Y183 HydrophobicContact CG2-CD2 4.14Å; T161-Y183 HydrophobicContact CG2-CE1 3.65Å; T161-Y183 HydrophobicContact CG2-CE2 4.2Å; T161-Y183 HydrophobicContact CG2-CG 3.84Å; L179-Y183 HydrophobicContact CD1-CE2 3.87Å; L179-Y183 HydrophobicContact CD2-CE2 4.11Å; L179-Y183 HydrophobicContact CG-CD2 4.2Å; L179-Y183 HydrophobicContact CG-CE2 3.64Å; L179-Y183 VanDerWaalsContact O-CD2 3.27Å; L179-Y183 WeakPolarHBondContact O-CD2 3.44Å; L179-Y183 PolarHBondContact O-N 3.48Å; F180-Y183 WeakPolarHBondContact O-CB 3.44Å; F180-Y183 PolarHBondContact O-N 2.95Å; F180-Y183 VanDerWaalsContact O-N 3.11Å; Y183-S185 VanDerWaalsContact C-N 3.3Å; Y183-S185 PolarHBondContact O-N 2.61Å; Y183-A186 WeakPolarHBondContact O-CB 3.49Å; Y183-A186 PolarHBondContact O-N 2.89Å; Y183-V187 WeakPolarHBondContact O-CG2 3.29Å; Y183-V187 PolarHBondContact O-N 2.59Å; Y183-V187 VanDerWaalsContact O-N 3.12Å |
| 184 | A | 95.3 | Very high | 92.2 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 11% | 0.107 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.5 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | F180 H181 V187 L188 I298 V302 | F180-A184 PolarHBondContact O-N 3.37Å; H181-A184 PolarHBondContact O-N 3.49Å; A184-V187 PolarHBondContact O-N 3.36Å; A184-L188 VanDerWaalsContact O-CB 3.3Å; A184-L188 WeakPolarHBondContact O-CB 3.42Å; A184-L188 PolarHBondContact O-N 3.36Å; A184-I298 HydrophobicContact CB-CG2 4.26Å; A184-V302 HydrophobicContact CB-CG2 3.79Å |
| 185 | S | 96.6 | Very high | 92.9 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 11% | 0.105 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -38.3 | 175.7 | -65.5 | 0 | 0 | 0 | 0 | 112.7 | H181 H182 Y183 L188 S189 | H181-S185 WeakPolarHBondContact O-CB 3.28Å; H181-S185 PolarHBondContact O-N 2.74Å; H181-S185 PolarHBondContact O-OG 3.24Å; H182-S185 PolarHBondContact O-N 3.43Å; Y183-S185 VanDerWaalsContact C-N 3.3Å; Y183-S185 PolarHBondContact O-N 2.61Å; S185-L188 WeakPolarHBondContact O-CB 3.39Å; S185-L188 PolarHBondContact O-N 3.44Å; S185-S189 WeakPolarHBondContact O-CB 3.45Å; S185-S189 PolarHBondContact O-N 3.11Å; S185-S189 PolarHBondContact O-OG 2.94Å |
| 186 | A | 96.8 | Very high | 93.4 | Very high | 13 Ų | 13 | 32 Ų | 32 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.7 | -45.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | H182 Y183 S189 G190 | H182-A186 PolarHBondContact O-N 2.92Å; Y183-A186 WeakPolarHBondContact O-CB 3.49Å; Y183-A186 PolarHBondContact O-N 2.89Å; A186-S189 PolarHBondContact O-N 3.32Å; A186-G190 PolarHBondContact O-N 3.12Å |
| 187 | V | 97.2 | Very high | 93.7 | Very high | 80 Ų | 80 | 34.7 Ų | 34.7 | 49% | 0.485 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 176 | 174.5 | 0 | 0 | 0 | 0 | 111 | Y183 A184 S189 G190 I191 I298 | Y183-V187 WeakPolarHBondContact O-CG2 3.29Å; Y183-V187 PolarHBondContact O-N 2.59Å; Y183-V187 VanDerWaalsContact O-N 3.12Å; A184-V187 PolarHBondContact O-N 3.36Å; V187-S189 VanDerWaalsContact C-N 3.35Å; V187-S189 PolarHBondContact O-N 3.01Å; V187-G190 PolarHBondContact O-N 2.88Å; V187-G190 VanDerWaalsContact O-N 3.13Å; V187-I191 HydrophobicContact CG1-CD1 3.87Å; V187-I191 HydrophobicContact CG1-CG1 4.4Å; V187-I191 WeakPolarHBondContact O-CG1 3.47Å; V187-I191 PolarHBondContact O-N 2.95Å; V187-I298 HydrophobicContact CG1-CD1 3.92Å |
| 188 | L | 96.8 | Very high | 93.6 | Very high | 19 Ų | 19 | 33.1 Ų | 33.1 | 10% | 0.099 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.1 | -46.8 | 177.3 | -168.7 | 82.8 | 0 | 0 | 0 | 111.8 | A184 S185 G190 I191 L192 L295 I298 F299 | A184-L188 VanDerWaalsContact O-CB 3.3Å; A184-L188 WeakPolarHBondContact O-CB 3.42Å; A184-L188 PolarHBondContact O-N 3.36Å; S185-L188 WeakPolarHBondContact O-CB 3.39Å; S185-L188 PolarHBondContact O-N 3.44Å; L188-G190 VanDerWaalsContact C-N 3.32Å; L188-I191 PolarHBondContact O-N 3.42Å; L188-L192 WeakPolarHBondContact O-CG 3.25Å; L188-L192 PolarHBondContact O-N 2.84Å; L188-L295 HydrophobicContact CD1-CD2 3.33Å; L188-L295 HydrophobicContact CG-CD2 3.81Å; L188-I298 HydrophobicContact CB-CG2 4.36Å; L188-I298 HydrophobicContact CD1-CB 3.94Å; L188-I298 HydrophobicContact CD1-CG2 3.74Å; L188-F299 HydrophobicContact CD1-CD1 4.42Å; L188-F299 HydrophobicContact CD1-CD2 3.72Å; L188-F299 HydrophobicContact CD1-CE1 4.43Å; L188-F299 HydrophobicContact CD1-CE2 3.69Å; L188-F299 HydrophobicContact CD1-CG 4.1Å; L188-F299 HydrophobicContact CD1-CZ 4.08Å; L188-F299 HydrophobicContact CD2-CD1 4.09Å; L188-F299 HydrophobicContact CD2-CE1 3.56Å; L188-F299 HydrophobicContact CD2-CE2 4.03Å; L188-F299 HydrophobicContact CD2-CZ 3.52Å; L188-F299 HydrophobicContact CG-CE2 4.13Å; L188-F299 HydrophobicContact CG-CZ 4.1Å |
| 189 | S | 97.5 | Very high | 93.5 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 3% | 0.028 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.6 | -35.3 | 176.1 | -58.8 | 0 | 0 | 0 | 0 | 112.3 | L153 V154 S185 A186 V187 L192 L193 | L153-S189 WeakPolarHBondContact CB-OG 3.46Å; V154-S189 VanDerWaalsContact CG2-C 3.47Å; S185-S189 WeakPolarHBondContact O-CB 3.45Å; S185-S189 PolarHBondContact O-N 3.11Å; S185-S189 PolarHBondContact O-OG 2.94Å; A186-S189 PolarHBondContact O-N 3.32Å; V187-S189 VanDerWaalsContact C-N 3.35Å; V187-S189 PolarHBondContact O-N 3.01Å; S189-L192 PolarHBondContact O-N 2.71Å; S189-L193 WeakPolarHBondContact O-CB 3.28Å; S189-L193 PolarHBondContact O-N 3.35Å |
| 190 | G | 97.8 | Very high | 93.6 | Very high | 22 Ų | 22 | 37.3 Ų | 37.3 | 23% | 0.227 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.6 | -46.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A186 V187 L188 L192 L193 T194 | A186-G190 PolarHBondContact O-N 3.12Å; V187-G190 PolarHBondContact O-N 2.88Å; V187-G190 VanDerWaalsContact O-N 3.13Å; L188-G190 VanDerWaalsContact C-N 3.32Å; G190-L192 VanDerWaalsContact C-N 3.33Å; G190-L192 PolarHBondContact O-N 3.33Å; G190-L193 WeakPolarHBondContact O-CB 3.24Å; G190-L193 PolarHBondContact O-N 3.12Å; G190-T194 PolarHBondContact O-N 3.23Å; G190-T194 VanDerWaalsContact O-N 3.07Å; G190-T194 PolarHBondContact O-OG1 3.12Å |
| 191 | I | 97.6 | Very high | 93.6 | Very high | 17 Ų | 17 | 31.9 Ų | 31.9 | 9% | 0.087 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 176.4 | -65.2 | 164.5 | 0 | 0 | 0 | 110.2 | V187 L188 L193 T194 W195 W290 Q291 A294 L295 I298 | V187-I191 HydrophobicContact CG1-CD1 3.87Å; V187-I191 HydrophobicContact CG1-CG1 4.4Å; V187-I191 WeakPolarHBondContact O-CG1 3.47Å; V187-I191 PolarHBondContact O-N 2.95Å; L188-I191 PolarHBondContact O-N 3.42Å; I191-L193 VanDerWaalsContact C-N 3.34Å; I191-L193 PolarHBondContact O-N 2.82Å; I191-T194 CarbonylContact O-C 3.57Å; I191-T194 PolarHBondContact O-N 3.35Å; I191-T194 PolarHBondContact O-OG1 2.92Å; I191-W195 PolarHBondContact O-N 2.97Å; I191-W290 HydrophobicContact CG1-CH2 4.35Å; I191-W290 HydrophobicContact CG1-CZ3 4.46Å; I191-Q291 HydrophobicContact CG2-CB 3.69Å; I191-Q291 HydrophobicContact CG2-CG 3.8Å; I191-A294 HydrophobicContact CD1-CB 4.02Å; I191-L295 HydrophobicContact CB-CD2 3.9Å; I191-L295 HydrophobicContact CB-CG 4.32Å; I191-L295 HydrophobicContact CG2-CD1 4.01Å; I191-L295 HydrophobicContact CG2-CD2 3.82Å; I191-L295 HydrophobicContact CG2-CG 3.66Å; I191-I298 HydrophobicContact CD1-CD1 3.54Å |
| 192 | L | 95.7 | Very high | 93.3 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.9 | -41.7 | 175.9 | -77.7 | 165.1 | 0 | 0 | 0 | 112.7 | L188 S189 G190 T194 W195 L208 L295 | L188-L192 WeakPolarHBondContact O-CG 3.25Å; L188-L192 PolarHBondContact O-N 2.84Å; S189-L192 PolarHBondContact O-N 2.71Å; G190-L192 VanDerWaalsContact C-N 3.33Å; G190-L192 PolarHBondContact O-N 3.33Å; L192-T194 VanDerWaalsContact C-N 3.29Å; L192-T194 PolarHBondContact O-N 2.83Å; L192-W195 HydrophobicContact CD2-CE3 3.83Å; L192-W195 HydrophobicContact CD2-CZ3 4.14Å; L192-W195 WeakPolarHBondContact O-CB 3.45Å; L192-W195 PolarHBondContact O-N 3.24Å; L192-L208 HydrophobicContact CD2-CD1 3.74Å; L192-L295 HydrophobicContact CD2-CD1 3.78Å; L192-L295 HydrophobicContact CG-CD1 4.1Å; L192-L295 HydrophobicContact CG-CD2 4.01Å |
| 193 | L | 95.8 | Very high | 93 | Very high | 55 Ų | 55 | 38.2 Ų | 38.2 | 29% | 0.288 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62 | -38 | 176.7 | 179.2 | 62.2 | 0 | 0 | 0 | 112 | A147 N150 F151 S189 G190 I191 W195 | A147-L193 HydrophobicContact CB-CD1 4.13Å; A147-L193 WeakPolarHBondContact O-CD1 3.46Å; N150-L193 HydrophobicContact CB-CB 3.89Å; N150-L193 HydrophobicContact CB-CD1 4.14Å; F151-L193 HydrophobicContact CB-CD1 4.32Å; F151-L193 HydrophobicContact CB-CD2 4.29Å; F151-L193 HydrophobicContact CD2-CD2 4.26Å; S189-L193 WeakPolarHBondContact O-CB 3.28Å; S189-L193 PolarHBondContact O-N 3.35Å; G190-L193 WeakPolarHBondContact O-CB 3.24Å; G190-L193 PolarHBondContact O-N 3.12Å; I191-L193 VanDerWaalsContact C-N 3.34Å; I191-L193 PolarHBondContact O-N 2.82Å; L193-W195 VanDerWaalsContact C-N 3.34Å |
| 194 | T | 94.7 | Very high | 92.9 | Very high | 85 Ų | 85 | 35.3 Ų | 35.3 | 52% | 0.521 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 5.7 | 179.9 | 60.7 | 0 | 0 | 0 | 0 | 114.1 | G190 I191 L192 P196 Q291 | G190-T194 PolarHBondContact O-N 3.23Å; G190-T194 VanDerWaalsContact O-N 3.07Å; G190-T194 PolarHBondContact O-OG1 3.12Å; I191-T194 CarbonylContact O-C 3.57Å; I191-T194 PolarHBondContact O-N 3.35Å; I191-T194 PolarHBondContact O-OG1 2.92Å; L192-T194 VanDerWaalsContact C-N 3.29Å; L192-T194 PolarHBondContact O-N 2.83Å; T194-P196 WeakPolarHBondContact O-CD 3.26Å; T194-Q291 PolarHBondContact O-NE2 3.4Å |
| 195 | W | 93.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.198 | C | C | . | . | P | Polyproline II helix | trans | -72.7 | 118.1 | 179.5 | -161.1 | -30.8 | 0 | 0 | 0 | 109 | R143 I191 L192 L193 C200 Y201 L208 L278 E289 Q291 V292 L295 | R143-W195 PolarHBondContact NH2-O 2.94Å; I191-W195 PolarHBondContact O-N 2.97Å; L192-W195 HydrophobicContact CD2-CE3 3.83Å; L192-W195 HydrophobicContact CD2-CZ3 4.14Å; L192-W195 WeakPolarHBondContact O-CB 3.45Å; L192-W195 PolarHBondContact O-N 3.24Å; L193-W195 VanDerWaalsContact C-N 3.34Å; W195-C200 HydrophobicContact CZ2-CB 4.1Å; W195-Y201 HydrophobicContact CB-CD2 3.88Å; W195-Y201 HydrophobicContact CB-CE2 4.3Å; W195-Y201 AromaticContact CD1-CD2 3.97Å; W195-Y201 AromaticContact CD2-CD2 3.82Å; W195-Y201 HydrophobicContact CD2-CD2 3.82Å; W195-Y201 HydrophobicContact CE3-CD2 4.22Å; W195-Y201 AromaticContact CG-CD2 3.66Å; W195-Y201 HydrophobicContact CG-CD2 3.66Å; W195-Y201 HydrophobicContact CG-CG 4.4Å; W195-L208 HydrophobicContact CZ3-CD1 4.1Å; W195-L278 HydrophobicContact CH2-CD2 3.87Å; W195-L278 HydrophobicContact CZ3-CD2 4.38Å; W195-E289 PolarHBondContact NE1-OE2 3.37Å; W195-Q291 HydrophobicContact CB-CG 4.45Å; W195-Q291 HydrophobicContact CD2-CB 4.04Å; W195-Q291 HydrophobicContact CE3-CB 4.49Å; W195-Q291 HydrophobicContact CG-CB 4.06Å; W195-Q291 HydrophobicContact CG-CG 4.38Å; W195-V292 HydrophobicContact CH2-CB 4.28Å; W195-V292 HydrophobicContact CH2-CG1 4.23Å; W195-V292 HydrophobicContact CH2-CG2 3.85Å; W195-V292 HydrophobicContact CZ2-CB 4.13Å; W195-V292 HydrophobicContact CZ2-CG1 4.37Å; W195-V292 HydrophobicContact CZ2-CG2 3.23Å; W195-L295 HydrophobicContact CD2-CD1 4.29Å; W195-L295 HydrophobicContact CE3-CD1 3.16Å; W195-L295 HydrophobicContact CH2-CD1 4.13Å; W195-L295 HydrophobicContact CZ3-CD1 3.07Å; W195-L295 HydrophobicContact CZ3-CG 4.49Å |
| 196 | P | 90.9 | Very high | 92.5 | Very high | 53 Ų | 53 | 36.9 Ų | 36.9 | 34% | 0.344 | 21% | 0.208 | S | C | . | . | P | Polyproline II helix | trans | -60.7 | 158.6 | 177.7 | 25.3 | -35.5 | 0 | 0 | 0 | 112.4 | T194 G198 E289 | T194-P196 WeakPolarHBondContact O-CD 3.26Å; P196-G198 PolarHBondContact O-N 3.36Å; P196-E289 HydrophobicContact CG-CG 4.12Å; P196-E289 WeakPolarHBondContact CG-OE1 3.34Å |
| 197 | D | 86.2 | Confident | 92.4 | Very high | 87 Ų | 87 | 39.7 Ų | 39.7 | 47% | 0.465 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -70.6 | 124.8 | 170.7 | -139.1 | -40.1 | 0 | 0 | 0 | 110.1 | R143 Q202 | R143-D197 VanDerWaalsContact NH1-CG 3.3Å; R143-D197 IonicContact NH1-OD2 3.93Å; R143-D197 PolarHBondContact NH1-OD2 3.14Å; D197-Q202 PolarHBondContact OD1-NE2 3.48Å |
| 198 | G | 86.4 | Confident | 92.3 | Very high | 19 Ų | 19 | 36 Ų | 36 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -167.7 | 165 | -174.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P196 C200 Y201 Q202 | P196-G198 PolarHBondContact O-N 3.36Å; G198-C200 PolarHBondContact O-N 3.43Å; G198-Y201 PolarHBondContact O-N 3.4Å; G198-Y201 VanDerWaalsContact O-N 3.14Å; G198-Q202 WeakPolarHBondContact O-CG 3.46Å; G198-Q202 PolarHBondContact O-N 3.21Å |
| 199 | E | 86.1 | Confident | 92.2 | Very high | 99 Ų | 99 | 35 Ų | 35 | 46% | 0.463 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59 | -34.6 | -178.2 | -167.8 | 178.7 | 168.3 | 0 | 0 | 112 | K203 W286 | E199-K203 HydrophobicContact CG-CD 4.13Å; E199-K203 WeakPolarHBondContact O-CB 3.39Å; E199-K203 WeakPolarHBondContact O-CG 3.36Å; E199-K203 PolarHBondContact O-N 2.92Å; E199-K203 VanDerWaalsContact OE1-CE 3.29Å; E199-K203 WeakPolarHBondContact OE1-CE 3.22Å; E199-K203 IonicContact OE1-NZ 2.61Å; E199-K203 PolarHBondContact OE1-NZ 3.5Å; E199-W286 HydrophobicContact CB-CE3 4.26Å; E199-W286 HydrophobicContact CB-CZ3 4.37Å; E199-W286 HydrophobicContact CG-CE3 4.29Å; E199-W286 HydrophobicContact CG-CZ3 4.24Å |
| 200 | C | 89.6 | Confident | 92.2 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.8 | -47.5 | 176.1 | -52.3 | 0 | 0 | 0 | 0 | 112.9 | W195 G198 S204 I281 W286 C287 V292 | W195-C200 HydrophobicContact CZ2-CB 4.1Å; G198-C200 PolarHBondContact O-N 3.43Å; C200-S204 WeakPolarHBondContact O-CB 3.07Å; C200-S204 PolarHBondContact O-N 3.34Å; C200-S204 PolarHBondContact O-OG 2.91Å; C200-I281 HydrophobicContact CB-CG2 4.37Å; C200-W286 HydrophobicContact CB-CZ3 4.2Å; C200-W286 VanDerWaalsContact SG-CZ3 3.57Å; C200-C287 HydrophobicContact CB-CB 4.28Å; C200-C287 WeakPolarHBondContact CB-SG 3.39Å; C200-C287 WeakPolarHBondContact SG-CA 3.36Å; C200-C287 WeakPolarHBondContact SG-CB 3.31Å; C200-C287 CovalentContact SG-SG 2.01Å; C200-C287 PolarHBondContact SG-SG 3.41Å; C200-V292 HydrophobicContact CB-CG2 4.25Å |
| 201 | Y | 90 | Very high | 92.1 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 2% | 0.016 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -53.3 | 179.4 | 172.9 | -95.9 | 0 | 0 | 0 | 109.3 | F142 D146 W195 G198 K203 S204 R205 | F142-Y201 HydrophobicContact CE1-CE1 4.25Å; D146-Y201 PolarHBondContact OD2-OH 3.36Å; W195-Y201 HydrophobicContact CB-CD2 3.88Å; W195-Y201 HydrophobicContact CB-CE2 4.3Å; W195-Y201 AromaticContact CD1-CD2 3.97Å; W195-Y201 AromaticContact CD2-CD2 3.82Å; W195-Y201 HydrophobicContact CD2-CD2 3.82Å; W195-Y201 HydrophobicContact CE3-CD2 4.22Å; W195-Y201 AromaticContact CG-CD2 3.66Å; W195-Y201 HydrophobicContact CG-CD2 3.66Å; W195-Y201 HydrophobicContact CG-CG 4.4Å; G198-Y201 PolarHBondContact O-N 3.4Å; G198-Y201 VanDerWaalsContact O-N 3.14Å; Y201-K203 PolarHBondContact O-N 3.45Å; Y201-S204 PolarHBondContact O-N 3.39Å; Y201-S204 VanDerWaalsContact O-N 3.11Å; Y201-R205 HydrophobicContact CE1-CB 4.45Å; Y201-R205 HydrophobicContact CE1-CG 4.37Å; Y201-R205 HydrophobicContact CE2-CG 4.36Å; Y201-R205 WeakPolarHBondContact O-CB 3.2Å; Y201-R205 PolarHBondContact O-N 3.49Å |
| 202 | Q | 88 | Confident | 92 | Very high | 35 Ų | 35 | 38 Ų | 38 | 16% | 0.164 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.3 | -44 | -178.5 | -64.9 | -63.1 | -18.9 | 0 | 0 | 112.6 | H122 D197 G198 S204 | H122-Q202 PolarHBondContact NE2-O 2.98Å; D197-Q202 PolarHBondContact OD1-NE2 3.48Å; G198-Q202 WeakPolarHBondContact O-CG 3.46Å; G198-Q202 PolarHBondContact O-N 3.21Å; Q202-S204 VanDerWaalsContact C-N 3.35Å; Q202-S204 PolarHBondContact O-N 2.9Å |
| 203 | K | 86.3 | Confident | 92 | Very high | 105 Ų | 105 | 38.6 Ų | 38.6 | 46% | 0.457 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.3 | -34.3 | 177 | -77.4 | 176.4 | 171.9 | 169.3 | 0 | 113.4 | E199 Y201 W286 | E199-K203 HydrophobicContact CG-CD 4.13Å; E199-K203 WeakPolarHBondContact O-CB 3.39Å; E199-K203 WeakPolarHBondContact O-CG 3.36Å; E199-K203 PolarHBondContact O-N 2.92Å; E199-K203 VanDerWaalsContact OE1-CE 3.29Å; E199-K203 WeakPolarHBondContact OE1-CE 3.22Å; E199-K203 IonicContact OE1-NZ 2.61Å; E199-K203 PolarHBondContact OE1-NZ 3.5Å; Y201-K203 PolarHBondContact O-N 3.45Å; K203-W286 HydrophobicContact CD-CH2 3.87Å; K203-W286 HydrophobicContact CD-CZ3 4.17Å |
| 204 | S | 91.9 | Very high | 92 | Very high | 8 Ų | 8 | 38.2 Ų | 38.2 | 6% | 0.056 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -88.7 | -25.7 | -175.1 | -55 | 0 | 0 | 0 | 0 | 112.8 | C200 Y201 Q202 L206 Q207 L208 | C200-S204 WeakPolarHBondContact O-CB 3.07Å; C200-S204 PolarHBondContact O-N 3.34Å; C200-S204 PolarHBondContact O-OG 2.91Å; Y201-S204 PolarHBondContact O-N 3.39Å; Y201-S204 VanDerWaalsContact O-N 3.11Å; Q202-S204 VanDerWaalsContact C-N 3.35Å; Q202-S204 PolarHBondContact O-N 2.9Å; S204-L206 PolarHBondContact O-N 3.23Å; S204-Q207 PolarHBondContact O-N 3.01Å; S204-L208 PolarHBondContact O-N 3.22Å |
| 205 | R | 92.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.1 | -42.3 | -164.3 | -175.1 | 56.8 | -176 | 167.6 | -4.1 | 113.3 | F142 D146 N150 Y201 Q207 L208 L209 | F142-R205 HydrophobicContact CZ-CG 4.24Å; D146-R205 VanDerWaalsContact CG-NE 3.25Å; D146-R205 VanDerWaalsContact CG-NH2 3.26Å; D146-R205 IonicContact OD1-CZ 3.08Å; D146-R205 IonicContact OD1-NE 2.71Å; D146-R205 PolarHBondContact OD1-NE 2.84Å; D146-R205 IonicContact OD1-NH2 3.8Å; D146-R205 PolarHBondContact OD1-NH2 3.42Å; D146-R205 IonicContact OD2-CZ 3.28Å; D146-R205 VanDerWaalsContact OD2-CZ 3.28Å; D146-R205 IonicContact OD2-NE 3.09Å; D146-R205 PolarHBondContact OD2-NE 3.13Å; D146-R205 VanDerWaalsContact OD2-NE 3.09Å; D146-R205 IonicContact OD2-NH2 3.13Å; D146-R205 PolarHBondContact OD2-NH2 2.9Å; D146-R205 VanDerWaalsContact OD2-NH2 3.09Å; N150-R205 PolarHBondContact ND2-NH2 3.27Å; N150-R205 VanDerWaalsContact ND2-NH2 3.14Å; N150-R205 PolarHBondContact OD1-NH1 3.22Å; N150-R205 PolarHBondContact OD1-NH2 3.42Å; Y201-R205 HydrophobicContact CE1-CB 4.45Å; Y201-R205 HydrophobicContact CE1-CG 4.37Å; Y201-R205 HydrophobicContact CE2-CG 4.36Å; Y201-R205 WeakPolarHBondContact O-CB 3.2Å; Y201-R205 PolarHBondContact O-N 3.49Å; R205-Q207 VanDerWaalsContact C-N 3.27Å; R205-Q207 PolarHBondContact O-N 2.75Å; R205-L208 WeakPolarHBondContact O-CB 3.38Å; R205-L208 PolarHBondContact O-N 2.87Å; R205-L208 VanDerWaalsContact O-N 3.07Å; R205-L209 HydrophobicContact CG-CD1 4.01Å; R205-L209 HydrophobicContact CG-CG 4.32Å; R205-L209 PolarHBondContact O-N 3.14Å |
| 206 | L | 91.8 | Very high | 92.2 | Very high | 59 Ų | 59 | 36.4 Ų | 36.4 | 31% | 0.309 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -54.9 | -45.1 | 177.2 | 179.2 | 61.8 | 0 | 0 | 0 | 111.6 | S204 L208 L209 L210 | S204-L206 PolarHBondContact O-N 3.23Å; L206-L208 VanDerWaalsContact C-N 3.32Å; L206-L208 PolarHBondContact O-N 3.36Å; L206-L209 PolarHBondContact O-N 3.15Å; L206-L210 HydrophobicContact CD1-CD1 4.36Å; L206-L210 HydrophobicContact CD1-CG 4.32Å; L206-L210 HydrophobicContact CG-CD1 4.14Å; L206-L210 WeakPolarHBondContact O-CB 3.5Å; L206-L210 VanDerWaalsContact O-CG 3.25Å; L206-L210 WeakPolarHBondContact O-CG 3.41Å; L206-L210 PolarHBondContact O-N 2.92Å |
| 207 | Q | 94.1 | Very high | 92.4 | Very high | 72 Ų | 72 | 37.6 Ų | 37.6 | 34% | 0.336 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.3 | -35.2 | 179.9 | -67.2 | -67.7 | -37.7 | 0 | 0 | 112.2 | S204 R205 L211 Y270 I274 | S204-Q207 PolarHBondContact O-N 3.01Å; R205-Q207 VanDerWaalsContact C-N 3.27Å; R205-Q207 PolarHBondContact O-N 2.75Å; Q207-L211 WeakPolarHBondContact O-CB 3.15Å; Q207-L211 PolarHBondContact O-N 3.23Å; Q207-Y270 PolarHBondContact O-OH 3.39Å; Q207-Y270 PolarHBondContact OE1-OH 3.46Å; Q207-I274 HydrophobicContact CB-CD1 3.62Å; Q207-I274 HydrophobicContact CG-CD1 4.42Å |
| 208 | L | 95.4 | Very high | 92.8 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.2 | -38.5 | 176.2 | -68.8 | 165.7 | 0 | 0 | 0 | 112.7 | L192 W195 S204 R205 L206 S212 I274 L278 F299 | L192-L208 HydrophobicContact CD2-CD1 3.74Å; W195-L208 HydrophobicContact CZ3-CD1 4.1Å; S204-L208 PolarHBondContact O-N 3.22Å; R205-L208 WeakPolarHBondContact O-CB 3.38Å; R205-L208 PolarHBondContact O-N 2.87Å; R205-L208 VanDerWaalsContact O-N 3.07Å; L206-L208 VanDerWaalsContact C-N 3.32Å; L206-L208 PolarHBondContact O-N 3.36Å; L208-S212 PolarHBondContact O-N 3.3Å; L208-S212 PolarHBondContact O-OG 3.25Å; L208-I274 HydrophobicContact CD2-CG2 3.7Å; L208-L278 HydrophobicContact CD2-CD1 4.38Å; L208-F299 HydrophobicContact CD2-CD2 4.43Å; L208-F299 HydrophobicContact CD2-CE2 3.38Å; L208-F299 HydrophobicContact CD2-CZ 3.47Å; L208-F299 VanDerWaalsContact CD2-CZ 3.47Å |
| 209 | L | 95 | Very high | 93.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.1 | -43.6 | 173.7 | -72.3 | 168.1 | 0 | 0 | 0 | 111.1 | V118 C119 Y149 R205 L206 L211 S212 C213 | V118-L209 HydrophobicContact CB-CD1 4.45Å; V118-L209 HydrophobicContact CB-CD2 4.28Å; V118-L209 HydrophobicContact CG1-CD1 3.82Å; V118-L209 HydrophobicContact CG1-CD2 4.01Å; C119-L209 WeakPolarHBondContact SG-CB 3.12Å; Y149-L209 HydrophobicContact CD1-CD2 4.17Å; Y149-L209 HydrophobicContact CE1-CD2 4.12Å; R205-L209 HydrophobicContact CG-CD1 4.01Å; R205-L209 HydrophobicContact CG-CG 4.32Å; R205-L209 PolarHBondContact O-N 3.14Å; L206-L209 PolarHBondContact O-N 3.15Å; L209-L211 VanDerWaalsContact C-N 3.34Å; L209-L211 PolarHBondContact O-N 3Å; L209-S212 WeakPolarHBondContact O-CA 3.06Å; L209-S212 WeakPolarHBondContact O-CB 3.3Å; L209-S212 PolarHBondContact O-N 2.74Å; L209-C213 PolarHBondContact O-N 3.09Å; L209-C213 PolarHBondContact O-SG 3.13Å; L209-C213 VanDerWaalsContact O-SG 3.35Å |
| 210 | L | 95.7 | Very high | 93.5 | Very high | 73 Ų | 73 | 30.2 Ų | 30.2 | 38% | 0.382 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 175 | -71.5 | 175.4 | 0 | 0 | 0 | 112.1 | L206 S212 C213 Y214 | L206-L210 HydrophobicContact CD1-CD1 4.36Å; L206-L210 HydrophobicContact CD1-CG 4.32Å; L206-L210 HydrophobicContact CG-CD1 4.14Å; L206-L210 WeakPolarHBondContact O-CB 3.5Å; L206-L210 VanDerWaalsContact O-CG 3.25Å; L206-L210 WeakPolarHBondContact O-CG 3.41Å; L206-L210 PolarHBondContact O-N 2.92Å; L210-S212 VanDerWaalsContact C-N 3.31Å; L210-S212 PolarHBondContact O-N 2.94Å; L210-C213 PolarHBondContact O-N 2.98Å; L210-Y214 WeakPolarHBondContact O-CB 3.39Å; L210-Y214 PolarHBondContact O-N 3.5Å |
| 211 | L | 95.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -43.7 | 171.5 | 176.9 | 64.9 | 0 | 0 | 0 | 111.1 | Q207 L209 Y214 I215 Y270 Q271 I274 F299 | Q207-L211 WeakPolarHBondContact O-CB 3.15Å; Q207-L211 PolarHBondContact O-N 3.23Å; L209-L211 VanDerWaalsContact C-N 3.34Å; L209-L211 PolarHBondContact O-N 3Å; L211-Y214 PolarHBondContact O-N 2.87Å; L211-I215 HydrophobicContact CD1-CD1 4.34Å; L211-I215 HydrophobicContact CD1-CG1 3.93Å; L211-I215 HydrophobicContact CG-CG1 4.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.23Å; L211-I215 PolarHBondContact O-N 3.26Å; L211-Y270 HydrophobicContact CB-CD1 4.19Å; L211-Y270 HydrophobicContact CB-CE1 3.83Å; L211-Y270 HydrophobicContact CD1-CD1 3.57Å; L211-Y270 HydrophobicContact CD1-CE1 4.11Å; L211-Y270 HydrophobicContact CD1-CG 4.39Å; L211-Y270 HydrophobicContact CG-CD1 4.48Å; L211-Q271 HydrophobicContact CD1-CB 4.32Å; L211-Q271 HydrophobicContact CD2-CG 4.35Å; L211-I274 HydrophobicContact CD2-CG1 4.23Å; L211-F299 HydrophobicContact CD2-CD1 4.21Å; L211-F299 HydrophobicContact CD2-CE1 3.51Å; L211-F299 HydrophobicContact CD2-CZ 4.08Å |
| 212 | S | 95.5 | Very high | 93.6 | Very high | 26 Ų | 26 | 32.7 Ų | 32.7 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.7 | -41.8 | 179 | -57.8 | 0 | 0 | 0 | 0 | 112.6 | Y149 L208 L209 L210 Y214 S216 | Y149-S212 VanDerWaalsContact OH-CB 3.26Å; Y149-S212 WeakPolarHBondContact OH-CB 3.34Å; L208-S212 PolarHBondContact O-N 3.3Å; L208-S212 PolarHBondContact O-OG 3.25Å; L209-S212 WeakPolarHBondContact O-CA 3.06Å; L209-S212 WeakPolarHBondContact O-CB 3.3Å; L209-S212 PolarHBondContact O-N 2.74Å; L210-S212 VanDerWaalsContact C-N 3.31Å; L210-S212 PolarHBondContact O-N 2.94Å; S212-Y214 VanDerWaalsContact C-N 3.35Å; S212-S216 WeakPolarHBondContact O-CB 3.44Å; S212-S216 PolarHBondContact O-N 2.86Å; S212-S216 PolarHBondContact O-OG 3.49Å |
| 213 | C | 96.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 31.5 Ų | 31.5 | 13% | 0.128 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.1 | -48.1 | 171.5 | -67.6 | 0 | 0 | 0 | 0 | 111 | F112 A115 P116 L209 L210 S216 F217 | F112-C213 WeakPolarHBondContact CD2-O 3.22Å; A115-C213 WeakPolarHBondContact CB-SG 3.31Å; P116-C213 VanDerWaalsContact CD-SG 3.6Å; L209-C213 PolarHBondContact O-N 3.09Å; L209-C213 PolarHBondContact O-SG 3.13Å; L209-C213 VanDerWaalsContact O-SG 3.35Å; L210-C213 PolarHBondContact O-N 2.98Å; C213-S216 PolarHBondContact O-N 3.34Å; C213-F217 WeakPolarHBondContact O-CB 3.3Å; C213-F217 PolarHBondContact O-N 3.47Å |
| 214 | Y | 96.8 | Very high | 93.7 | Very high | 47 Ų | 47 | 30.7 Ų | 30.7 | 18% | 0.184 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.2 | -47.2 | -178.6 | -174 | -91 | 0 | 0 | 0 | 112.1 | L210 L211 S212 S216 F217 V218 F263 F266 G267 | L210-Y214 WeakPolarHBondContact O-CB 3.39Å; L210-Y214 PolarHBondContact O-N 3.5Å; L211-Y214 PolarHBondContact O-N 2.87Å; S212-Y214 VanDerWaalsContact C-N 3.35Å; Y214-S216 VanDerWaalsContact C-N 3.34Å; Y214-S216 PolarHBondContact O-N 2.92Å; Y214-F217 WeakPolarHBondContact O-CB 3.1Å; Y214-F217 PolarHBondContact O-N 3.1Å; Y214-V218 HydrophobicContact CD1-CG2 3.98Å; Y214-V218 HydrophobicContact CE1-CG2 3.45Å; Y214-V218 VanDerWaalsContact CE1-CG2 3.45Å; Y214-V218 WeakPolarHBondContact O-CG2 3.19Å; Y214-V218 PolarHBondContact O-N 3.42Å; Y214-F263 PolarHBondContact OH-O 3.37Å; Y214-F266 HydrophobicContact CD2-CD1 4.4Å; Y214-F266 HydrophobicContact CD2-CE1 4.21Å; Y214-F266 AromaticContact CE1-CD1 3.76Å; Y214-F266 HydrophobicContact CE1-CD1 3.76Å; Y214-F266 HydrophobicContact CE1-CE1 4.41Å; Y214-F266 AromaticContact CE2-CD1 3.63Å; Y214-F266 HydrophobicContact CE2-CD1 3.63Å; Y214-F266 AromaticContact CE2-CE1 3.75Å; Y214-F266 HydrophobicContact CE2-CE1 3.75Å; Y214-F266 AromaticContact CZ-CD1 3.26Å; Y214-F266 AromaticContact CZ-CE1 3.88Å; Y214-F266 WeakPolarHBondContact OH-CD1 3.23Å; Y214-G267 VanDerWaalsContact CE1-CA 3.42Å |
| 215 | I | 94.9 | Very high | 93.4 | Very high | 41 Ų | 41 | 32.9 Ų | 32.9 | 21% | 0.21 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | 178.3 | -66.8 | -62.7 | 0 | 0 | 0 | 110.7 | L211 F217 V218 Q219 | L211-I215 HydrophobicContact CD1-CD1 4.34Å; L211-I215 HydrophobicContact CD1-CG1 3.93Å; L211-I215 HydrophobicContact CG-CG1 4.27Å; L211-I215 WeakPolarHBondContact O-CG1 3.23Å; L211-I215 PolarHBondContact O-N 3.26Å; I215-F217 PolarHBondContact O-N 3.28Å; I215-V218 PolarHBondContact O-N 2.98Å; I215-Q219 HydrophobicContact CG2-CG 4.22Å; I215-Q219 WeakPolarHBondContact O-CB 3.29Å; I215-Q219 VanDerWaalsContact O-CG 3.29Å; I215-Q219 WeakPolarHBondContact O-CG 3.19Å; I215-Q219 PolarHBondContact O-N 3.41Å |
| 216 | S | 95.7 | Very high | 93.1 | Very high | 6 Ų | 6 | 32.9 Ų | 32.9 | 4% | 0.042 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.2 | -41.7 | 177.1 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | T108 S212 C213 Y214 Q219 I220 | T108-S216 WeakPolarHBondContact CG2-O 3.1Å; S212-S216 WeakPolarHBondContact O-CB 3.44Å; S212-S216 PolarHBondContact O-N 2.86Å; S212-S216 PolarHBondContact O-OG 3.49Å; C213-S216 PolarHBondContact O-N 3.34Å; Y214-S216 VanDerWaalsContact C-N 3.34Å; Y214-S216 PolarHBondContact O-N 2.92Å; S216-Q219 PolarHBondContact O-N 3.44Å; S216-I220 WeakPolarHBondContact O-CG1 3.33Å; S216-I220 PolarHBondContact O-N 3.49Å |
| 217 | F | 95.7 | Very high | 92.8 | Very high | 79 Ų | 79 | 35.4 Ų | 35.4 | 35% | 0.346 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -59 | -48.9 | 172.7 | 171.2 | -104.6 | 0 | 0 | 0 | 111.7 | F112 C213 Y214 I215 Q219 I220 L221 F263 | F112-F217 HydrophobicContact CD2-CB 4.28Å; F112-F217 HydrophobicContact CE2-CB 3.77Å; F112-F217 HydrophobicContact CZ-CB 4.38Å; F112-F217 HydrophobicContact CZ-CD2 4.44Å; C213-F217 WeakPolarHBondContact O-CB 3.3Å; C213-F217 PolarHBondContact O-N 3.47Å; Y214-F217 WeakPolarHBondContact O-CB 3.1Å; Y214-F217 PolarHBondContact O-N 3.1Å; I215-F217 PolarHBondContact O-N 3.28Å; F217-Q219 PolarHBondContact O-N 2.94Å; F217-I220 PolarHBondContact O-N 3.34Å; F217-L221 HydrophobicContact CD1-CD1 4.25Å; F217-L221 HydrophobicContact CE1-CD1 3.58Å; F217-L221 HydrophobicContact CE1-CG 4.38Å; F217-L221 HydrophobicContact CE2-CD1 4.37Å; F217-L221 HydrophobicContact CE2-CG 4.45Å; F217-L221 HydrophobicContact CZ-CD1 3.65Å; F217-L221 HydrophobicContact CZ-CG 4.2Å; F217-L221 PolarHBondContact O-N 2.87Å; F217-F263 HydrophobicContact CE1-CD1 4.34Å; F217-F263 HydrophobicContact CE1-CE1 4.4Å |
| 218 | V | 94 | Very high | 92.3 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.1 | -48.5 | 177.5 | 173.3 | 0 | 0 | 0 | 0 | 110.2 | Y214 I215 I220 L221 Q222 F263 L264 | Y214-V218 HydrophobicContact CD1-CG2 3.98Å; Y214-V218 HydrophobicContact CE1-CG2 3.45Å; Y214-V218 VanDerWaalsContact CE1-CG2 3.45Å; Y214-V218 WeakPolarHBondContact O-CG2 3.19Å; Y214-V218 PolarHBondContact O-N 3.42Å; I215-V218 PolarHBondContact O-N 2.98Å; V218-I220 VanDerWaalsContact C-N 3.29Å; V218-I220 PolarHBondContact O-N 2.87Å; V218-L221 CarbonylContact O-C 3.42Å; V218-L221 WeakPolarHBondContact O-CA 3.37Å; V218-L221 WeakPolarHBondContact O-CB 3.34Å; V218-L221 PolarHBondContact O-N 2.93Å; V218-Q222 HydrophobicContact CG1-CG 3.84Å; V218-Q222 WeakPolarHBondContact O-CG 3.41Å; V218-Q222 PolarHBondContact O-N 2.96Å; V218-F263 HydrophobicContact CG2-CB 4.18Å; V218-L264 HydrophobicContact CG1-CD1 4.33Å; V218-L264 HydrophobicContact CG1-CG 4.48Å |
| 219 | Q | 93.7 | Very high | 91.8 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 6% | 0.056 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -53.1 | -42.4 | 177.7 | -78.7 | 172.3 | -9.6 | 0 | 0 | 112.5 | T108 I215 S216 F217 Q222 C223 E247 | T108-Q219 HydrophobicContact CG2-CB 3.8Å; I215-Q219 HydrophobicContact CG2-CG 4.22Å; I215-Q219 WeakPolarHBondContact O-CB 3.29Å; I215-Q219 VanDerWaalsContact O-CG 3.29Å; I215-Q219 WeakPolarHBondContact O-CG 3.19Å; I215-Q219 PolarHBondContact O-N 3.41Å; S216-Q219 PolarHBondContact O-N 3.44Å; F217-Q219 PolarHBondContact O-N 2.94Å; Q219-Q222 PolarHBondContact O-N 3.18Å; Q219-C223 VanDerWaalsContact O-CB 3.32Å; Q219-C223 WeakPolarHBondContact O-CB 3.03Å; Q219-C223 PolarHBondContact O-N 3.1Å; Q219-E247 HydrophobicContact CG-CG 4.32Å; Q219-E247 PolarHBondContact NE2-OE1 3.28Å; Q219-E247 PolarHBondContact NE2-OE2 2.91Å |
| 220 | I | 93.6 | Very high | 91.2 | Very high | 31 Ų | 31 | 34 Ų | 34 | 16% | 0.159 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.6 | -46.8 | 175.2 | -68.1 | 163.5 | 0 | 0 | 0 | 110.7 | L105 T108 I109 F112 S216 F217 V218 Q222 C223 N224 | L105-I220 HydrophobicContact CD1-CG1 4.33Å; T108-I220 HydrophobicContact CG2-CD1 4.31Å; T108-I220 HydrophobicContact CG2-CG1 3.79Å; I109-I220 HydrophobicContact CG1-CD1 4.02Å; I109-I220 HydrophobicContact CG1-CG1 4.3Å; F112-I220 HydrophobicContact CB-CD1 4.19Å; F112-I220 HydrophobicContact CD1-CD1 4.18Å; F112-I220 HydrophobicContact CG-CD1 4.16Å; S216-I220 WeakPolarHBondContact O-CG1 3.33Å; S216-I220 PolarHBondContact O-N 3.49Å; F217-I220 PolarHBondContact O-N 3.34Å; V218-I220 VanDerWaalsContact C-N 3.29Å; V218-I220 PolarHBondContact O-N 2.87Å; I220-Q222 VanDerWaalsContact C-N 3.35Å; I220-Q222 PolarHBondContact O-N 3.13Å; I220-C223 PolarHBondContact O-N 3.44Å; I220-N224 PolarHBondContact O-N 2.91Å; I220-N224 VanDerWaalsContact O-N 3.1Å; I220-N224 PolarHBondContact O-ND2 3.29Å |
| 221 | L | 91.4 | Very high | 90.6 | Very high | 48 Ų | 48 | 39 Ų | 39 | 25% | 0.251 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 175.5 | -64.7 | -179.2 | 0 | 0 | 0 | 111.6 | F217 V218 Y225 L260 F263 | F217-L221 HydrophobicContact CD1-CD1 4.25Å; F217-L221 HydrophobicContact CE1-CD1 3.58Å; F217-L221 HydrophobicContact CE1-CG 4.38Å; F217-L221 HydrophobicContact CE2-CD1 4.37Å; F217-L221 HydrophobicContact CE2-CG 4.45Å; F217-L221 HydrophobicContact CZ-CD1 3.65Å; F217-L221 HydrophobicContact CZ-CG 4.2Å; F217-L221 PolarHBondContact O-N 2.87Å; V218-L221 CarbonylContact O-C 3.42Å; V218-L221 WeakPolarHBondContact O-CA 3.37Å; V218-L221 WeakPolarHBondContact O-CB 3.34Å; V218-L221 PolarHBondContact O-N 2.93Å; L221-Y225 VanDerWaalsContact O-CB 3.3Å; L221-Y225 WeakPolarHBondContact O-CB 3.42Å; L221-Y225 PolarHBondContact O-N 3.3Å; L221-Y225 VanDerWaalsContact O-N 3.12Å; L221-L260 HydrophobicContact CB-CD1 3.58Å; L221-L260 HydrophobicContact CD1-CD1 4.42Å; L221-F263 HydrophobicContact CD1-CD1 4.45Å |
| 222 | Q | 90.1 | Very high | 90 | Very high | 9 Ų | 9 | 43.5 Ų | 43.5 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.7 | -47.1 | 179.2 | -31.5 | -166.9 | -95.7 | 0 | 0 | 110.5 | V218 Q219 I220 N224 Y225 Q226 E247 G248 L260 | V218-Q222 HydrophobicContact CG1-CG 3.84Å; V218-Q222 WeakPolarHBondContact O-CG 3.41Å; V218-Q222 PolarHBondContact O-N 2.96Å; Q219-Q222 PolarHBondContact O-N 3.18Å; I220-Q222 VanDerWaalsContact C-N 3.35Å; I220-Q222 PolarHBondContact O-N 3.13Å; Q222-N224 PolarHBondContact O-N 2.79Å; Q222-Y225 PolarHBondContact O-N 3.04Å; Q222-Q226 WeakPolarHBondContact O-CB 3.21Å; Q222-Q226 WeakPolarHBondContact O-CG 3.3Å; Q222-Q226 PolarHBondContact O-N 3.38Å; Q222-E247 VanDerWaalsContact OE1-C 3.27Å; Q222-E247 VanDerWaalsContact OE1-CA 3.26Å; Q222-G248 PolarHBondContact NE2-O 2.89Å; Q222-L260 HydrophobicContact CB-CD2 3.83Å; Q222-L260 HydrophobicContact CG-CD2 3.75Å |
| 223 | C | 89.9 | Confident | 89.4 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.7 | -51.7 | -178.1 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | L105 Q219 I220 Y225 Q226 R227 | L105-C223 HydrophobicContact CD1-CB 4.38Å; Q219-C223 VanDerWaalsContact O-CB 3.32Å; Q219-C223 WeakPolarHBondContact O-CB 3.03Å; Q219-C223 PolarHBondContact O-N 3.1Å; I220-C223 PolarHBondContact O-N 3.44Å; C223-Y225 PolarHBondContact O-N 3.33Å; C223-Q226 PolarHBondContact O-N 3.01Å; C223-R227 WeakPolarHBondContact O-CB 3.28Å; C223-R227 VanDerWaalsContact O-CG 3.22Å; C223-R227 WeakPolarHBondContact O-CG 3.41Å; C223-R227 PolarHBondContact O-N 3.48Å |
| 224 | N | 87.8 | Confident | 88.6 | Confident | 88 Ų | 88 | 46.4 Ų | 46.4 | 47% | 0.471 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.4 | -47.2 | -179.7 | -72.6 | -26 | 0 | 0 | 0 | 111.9 | I220 Q222 G228 | I220-N224 PolarHBondContact O-N 2.91Å; I220-N224 VanDerWaalsContact O-N 3.1Å; I220-N224 PolarHBondContact O-ND2 3.29Å; Q222-N224 PolarHBondContact O-N 2.79Å; N224-G228 PolarHBondContact O-N 3.17Å |
| 225 | Y | 85.7 | Confident | 87.8 | Confident | 54 Ų | 54 | 48 Ų | 48 | 21% | 0.212 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.9 | -45.9 | 179.3 | 179.4 | -85.6 | 0 | 0 | 0 | 112.2 | L221 Q222 C223 G228 C229 M253 G256 L257 | L221-Y225 VanDerWaalsContact O-CB 3.3Å; L221-Y225 WeakPolarHBondContact O-CB 3.42Å; L221-Y225 PolarHBondContact O-N 3.3Å; L221-Y225 VanDerWaalsContact O-N 3.12Å; Q222-Y225 PolarHBondContact O-N 3.04Å; C223-Y225 PolarHBondContact O-N 3.33Å; Y225-G228 PolarHBondContact O-N 3.2Å; Y225-C229 HydrophobicContact CE1-CB 4.26Å; Y225-C229 WeakPolarHBondContact CE1-SG 3.24Å; Y225-C229 PolarHBondContact O-N 3.32Å; Y225-C229 PolarHBondContact OH-SG 3.09Å; Y225-C229 VanDerWaalsContact OH-SG 3.36Å; Y225-M253 HydrophobicContact CE1-CB 4.2Å; Y225-M253 PolarHBondContact OH-O 2.84Å; Y225-G256 WeakPolarHBondContact OH-CA 3.42Å; Y225-G256 PolarHBondContact OH-N 3.29Å; Y225-L257 HydrophobicContact CD1-CD1 3.08Å; Y225-L257 HydrophobicContact CD2-CD1 4.31Å; Y225-L257 HydrophobicContact CE1-CB 4.12Å; Y225-L257 HydrophobicContact CE1-CD1 3.02Å; Y225-L257 HydrophobicContact CE1-CG 4.17Å; Y225-L257 HydrophobicContact CE2-CD1 4.24Å; Y225-L257 HydrophobicContact CG-CD1 3.77Å; Y225-L257 PolarHBondContact OH-N 3.48Å; Y225-L257 VanDerWaalsContact OH-N 3.12Å |
| 226 | Q | 86.5 | Confident | 87.2 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.7 | -38.8 | -175.3 | -75.3 | -176.7 | 46.7 | 0 | 0 | 112.5 | Q222 C223 G228 C229 L230 T245 V246 W252 M253 | Q222-Q226 WeakPolarHBondContact O-CB 3.21Å; Q222-Q226 WeakPolarHBondContact O-CG 3.3Å; Q222-Q226 PolarHBondContact O-N 3.38Å; C223-Q226 PolarHBondContact O-N 3.01Å; Q226-G228 VanDerWaalsContact C-N 3.32Å; Q226-G228 PolarHBondContact O-N 2.8Å; Q226-C229 PolarHBondContact O-N 2.83Å; Q226-L230 WeakPolarHBondContact O-CB 3.5Å; Q226-L230 VanDerWaalsContact O-CG 3.29Å; Q226-L230 WeakPolarHBondContact O-CG 3.27Å; Q226-L230 PolarHBondContact O-N 3Å; Q226-T245 HydrophobicContact CB-CG2 3.61Å; Q226-V246 PolarHBondContact NE2-O 2.84Å; Q226-V246 PolarHBondContact OE1-O 3.4Å; Q226-W252 HydrophobicContact CB-CH2 3.98Å; Q226-W252 HydrophobicContact CG-CH2 3.96Å; Q226-M253 HydrophobicContact CG-CE 3.17Å |
| 227 | R | 84.3 | Confident | 86.3 | Confident | 112 Ų | 112 | 53.7 Ų | 53.7 | 42% | 0.423 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 173.4 | -74.8 | 175.4 | 66.8 | -170.7 | -0.9 | 111.1 | C223 C229 L230 Y231 T245 | C223-R227 WeakPolarHBondContact O-CB 3.28Å; C223-R227 VanDerWaalsContact O-CG 3.22Å; C223-R227 WeakPolarHBondContact O-CG 3.41Å; C223-R227 PolarHBondContact O-N 3.48Å; R227-C229 PolarHBondContact O-N 3Å; R227-L230 PolarHBondContact O-N 3.33Å; R227-Y231 WeakPolarHBondContact O-CB 3.33Å; R227-Y231 PolarHBondContact O-N 3.33Å; R227-T245 HydrophobicContact CG-CG2 3.73Å |
| 228 | G | 84.7 | Confident | 85.1 | Confident | 39 Ų | 39 | 58.2 Ų | 58.2 | 40% | 0.402 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | N224 Y225 Q226 Y231 R232 | N224-G228 PolarHBondContact O-N 3.17Å; Y225-G228 PolarHBondContact O-N 3.2Å; Q226-G228 VanDerWaalsContact C-N 3.32Å; Q226-G228 PolarHBondContact O-N 2.8Å; G228-Y231 PolarHBondContact O-N 2.94Å; G228-R232 PolarHBondContact O-N 2.86Å; G228-R232 VanDerWaalsContact O-N 3.12Å |
| 229 | C | 84 | Confident | 83.8 | Confident | 4 Ų | 4 | 62 Ų | 62 | 3% | 0.027 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.1 | -40.6 | 178.4 | -76.2 | 0 | 0 | 0 | 0 | 113.2 | Y225 Q226 R227 R232 L233 W252 | Y225-C229 HydrophobicContact CE1-CB 4.26Å; Y225-C229 WeakPolarHBondContact CE1-SG 3.24Å; Y225-C229 PolarHBondContact O-N 3.32Å; Y225-C229 PolarHBondContact OH-SG 3.09Å; Y225-C229 VanDerWaalsContact OH-SG 3.36Å; Q226-C229 PolarHBondContact O-N 2.83Å; R227-C229 PolarHBondContact O-N 3Å; C229-R232 PolarHBondContact O-N 3.38Å; C229-R232 PolarHBondContact SG-NH2 2.99Å; C229-L233 WeakPolarHBondContact O-CB 3.32Å; C229-L233 VanDerWaalsContact O-CG 3.31Å; C229-L233 WeakPolarHBondContact O-CG 3.38Å; C229-L233 PolarHBondContact O-N 3.43Å; C229-W252 HydrophobicContact CB-CE3 4.01Å; C229-W252 HydrophobicContact CB-CZ3 3.52Å |
| 230 | L | 82.4 | Confident | 82.5 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.005 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 175.4 | -74.5 | 167.5 | 0 | 0 | 0 | 111.2 | Q226 R227 R232 L233 R234 D243 T245 W252 | Q226-L230 WeakPolarHBondContact O-CB 3.5Å; Q226-L230 VanDerWaalsContact O-CG 3.29Å; Q226-L230 WeakPolarHBondContact O-CG 3.27Å; Q226-L230 PolarHBondContact O-N 3Å; R227-L230 PolarHBondContact O-N 3.33Å; L230-R232 PolarHBondContact O-N 3.5Å; L230-L233 PolarHBondContact O-N 3.39Å; L230-R234 WeakPolarHBondContact O-CB 3.42Å; L230-R234 WeakPolarHBondContact O-CG 3.3Å; L230-R234 PolarHBondContact O-N 3.36Å; L230-D243 HydrophobicContact CD2-CB 3.85Å; L230-T245 HydrophobicContact CD1-CG2 4.31Å; L230-W252 HydrophobicContact CD1-CH2 3.93Å; L230-W252 HydrophobicContact CD1-CZ2 4.48Å; L230-W252 HydrophobicContact CD2-CE3 4.43Å; L230-W252 HydrophobicContact CD2-CH2 3.72Å; L230-W252 HydrophobicContact CD2-CZ2 3.99Å; L230-W252 HydrophobicContact CD2-CZ3 3.94Å; L230-W252 HydrophobicContact CG-CH2 3.47Å; L230-W252 VanDerWaalsContact CG-CH2 3.47Å; L230-W252 HydrophobicContact CG-CZ2 4.19Å; L230-W252 HydrophobicContact CG-CZ3 3.72Å |
| 231 | Y | 83.3 | Confident | 81.3 | Confident | 179 Ų | 179 | 68.2 Ų | 68.2 | 70% | 0.702 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -55.2 | -52.4 | 174.3 | 177.6 | -99.4 | 0 | 0 | 0 | 111.3 | R227 G228 L233 R234 A235 | R227-Y231 WeakPolarHBondContact O-CB 3.33Å; R227-Y231 PolarHBondContact O-N 3.33Å; G228-Y231 PolarHBondContact O-N 2.94Å; Y231-L233 PolarHBondContact O-N 2.85Å; Y231-R234 PolarHBondContact O-N 3.24Å; Y231-A235 PolarHBondContact O-N 3.47Å |
| 232 | R | 83.9 | Confident | 80.6 | Confident | 101 Ų | 101 | 66.6 Ų | 66.6 | 38% | 0.381 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 177.8 | -175.8 | 177.6 | 62 | -123.1 | -5 | 112.7 | G228 C229 L230 A235 L236 | G228-R232 PolarHBondContact O-N 2.86Å; G228-R232 VanDerWaalsContact O-N 3.12Å; C229-R232 PolarHBondContact O-N 3.38Å; C229-R232 PolarHBondContact SG-NH2 2.99Å; L230-R232 PolarHBondContact O-N 3.5Å; R232-A235 PolarHBondContact O-N 2.97Å; R232-L236 HydrophobicContact CG-CD1 4.29Å; R232-L236 WeakPolarHBondContact O-CG 3.48Å; R232-L236 PolarHBondContact O-N 3.01Å; R232-L236 VanDerWaalsContact O-N 3.15Å |
| 233 | L | 82.1 | Confident | 80 | Confident | 24 Ų | 24 | 67 Ų | 67 | 13% | 0.126 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -69.3 | -33.3 | -179.6 | -74.4 | 168.3 | 0 | 0 | 0 | 112.8 | C229 L230 Y231 L236 G237 R238 R239 W252 | C229-L233 WeakPolarHBondContact O-CB 3.32Å; C229-L233 VanDerWaalsContact O-CG 3.31Å; C229-L233 WeakPolarHBondContact O-CG 3.38Å; C229-L233 PolarHBondContact O-N 3.43Å; L230-L233 PolarHBondContact O-N 3.39Å; Y231-L233 PolarHBondContact O-N 2.85Å; L233-L236 PolarHBondContact O-N 2.88Å; L233-G237 PolarHBondContact O-N 2.92Å; L233-R238 HydrophobicContact CD2-CB 3.98Å; L233-R238 PolarHBondContact O-N 2.93Å; L233-R239 HydrophobicContact CB-CB 3.96Å; L233-R239 HydrophobicContact CB-CG 3.67Å; L233-R239 HydrophobicContact CD1-CG 3.82Å; L233-R239 HydrophobicContact CG-CG 4.26Å; L233-W252 HydrophobicContact CD1-CB 3.92Å; L233-W252 HydrophobicContact CD1-CD2 4.13Å; L233-W252 HydrophobicContact CD1-CE3 3.61Å; L233-W252 HydrophobicContact CD1-CG 4.31Å; L233-W252 HydrophobicContact CD1-CZ3 4.48Å |
| 234 | R | 79.7 | Confident | 79.6 | Confident | 83 Ų | 83 | 67 Ų | 67 | 31% | 0.313 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.9 | -43.4 | 173.6 | -71 | 172.1 | -158.7 | 152.3 | 8.5 | 111.2 | L230 Y231 L236 G237 D243 | L230-R234 WeakPolarHBondContact O-CB 3.42Å; L230-R234 WeakPolarHBondContact O-CG 3.3Å; L230-R234 PolarHBondContact O-N 3.36Å; Y231-R234 PolarHBondContact O-N 3.24Å; R234-L236 PolarHBondContact O-N 3.46Å; R234-G237 PolarHBondContact O-N 2.92Å; R234-D243 PolarHBondContact NH2-O 2.9Å |
| 235 | A | 79.7 | Confident | 79.2 | Confident | 81 Ų | 81 | 63 Ų | 63 | 67% | 0.669 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -59.7 | -30.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y231 R232 | Y231-A235 PolarHBondContact O-N 3.47Å; R232-A235 PolarHBondContact O-N 2.97Å |
| 236 | L | 82.2 | Confident | 78.7 | Confident | 98 Ų | 98 | 61.1 Ų | 61.1 | 51% | 0.513 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 0.4 | 174.7 | -67.5 | 172.3 | 0 | 0 | 0 | 114.5 | R232 L233 R234 R238 | R232-L236 HydrophobicContact CG-CD1 4.29Å; R232-L236 WeakPolarHBondContact O-CG 3.48Å; R232-L236 PolarHBondContact O-N 3.01Å; R232-L236 VanDerWaalsContact O-N 3.15Å; L233-L236 PolarHBondContact O-N 2.88Å; R234-L236 PolarHBondContact O-N 3.46Å; L236-R238 HydrophobicContact CB-CG 4.14Å; L236-R238 PolarHBondContact O-N 3.39Å |
| 237 | G | 77 | Confident | 77.9 | Confident | 67 Ų | 67 | 62.4 Ų | 62.4 | 69% | 0.691 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 13.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115 | L233 R234 | L233-G237 PolarHBondContact O-N 2.92Å; R234-G237 PolarHBondContact O-N 2.92Å |
| 238 | R | 71.7 | Confident | 77.4 | Confident | 175 Ų | 175 | 57 Ų | 57 | 66% | 0.66 | 29% | 0.29 | S | S | * | . | trans | -88.6 | -5.2 | -175.1 | -70.5 | -172.2 | 178 | -172 | -0.4 | 114.5 | L233 L236 | L233-R238 HydrophobicContact CD2-CB 3.98Å; L233-R238 PolarHBondContact O-N 2.93Å; L236-R238 HydrophobicContact CB-CG 4.14Å; L236-R238 PolarHBondContact O-N 3.39Å | ||
| 239 | R | 65.6 | Low | 76.5 | Confident | 86 Ų | 86 | 55.2 Ų | 55.2 | 33% | 0.325 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -141.1 | 154.7 | -177.2 | -82.3 | -53.9 | -148.6 | -162.3 | 16.2 | 113.1 | L233 D243 | L233-R239 HydrophobicContact CB-CB 3.96Å; L233-R239 HydrophobicContact CB-CG 3.67Å; L233-R239 HydrophobicContact CD1-CG 3.82Å; L233-R239 HydrophobicContact CG-CG 4.26Å; R239-D243 VanDerWaalsContact CD-OD2 3.24Å; R239-D243 WeakPolarHBondContact CD-OD2 3.32Å; R239-D243 IonicContact CZ-OD2 3.97Å; R239-D243 IonicContact NE-OD2 3.87Å; R239-D243 PolarHBondContact NE-OD2 3.38Å |
| 240 | Y | 67.6 | Low | 75.7 | Confident | 126 Ų | 126 | 55.9 Ų | 55.9 | 49% | 0.494 | 27% | 0.274 | S | S | . | . | trans | -71.5 | 141.7 | 174.8 | -60 | -79 | 0 | 0 | 0 | 110.1 | M242 D243 | Y240-M242 PolarHBondContact O-N 3.3Å; Y240-D243 PolarHBondContact O-N 3.17Å | ||
| 241 | S | 68.1 | Low | 74.8 | Confident | 47 Ų | 47 | 57.2 Ų | 57.2 | 33% | 0.329 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -13.9 | -177.4 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | F94 K97 | F94-S241 WeakPolarHBondContact CE1-O 3.29Å; F94-S241 WeakPolarHBondContact CE1-OG 2.98Å; F94-S241 WeakPolarHBondContact CZ-OG 3.38Å; K97-S241 PolarHBondContact NZ-O 3.29Å |
| 242 | M | 76.3 | Confident | 73.9 | Confident | 14 Ų | 14 | 50.3 Ų | 50.3 | 7% | 0.069 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | -1 | 175 | -69.4 | -60.6 | -73.2 | 0 | 0 | 115.6 | R93 F94 K97 L167 N170 S172 Y240 I244 | R93-M242 HydrophobicContact CB-CE 4.08Å; R93-M242 HydrophobicContact CB-SD 3.81Å; F94-M242 HydrophobicContact CD1-SD 4.07Å; F94-M242 HydrophobicContact CE1-CG 4.44Å; F94-M242 HydrophobicContact CE1-SD 4.07Å; K97-M242 HydrophobicContact CD-SD 4.31Å; K97-M242 WeakPolarHBondContact CE-O 3.34Å; L167-M242 HydrophobicContact CD2-CE 3.88Å; N170-M242 HydrophobicContact CB-CE 4.17Å; S172-M242 PolarHBondContact OG-O 3.45Å; Y240-M242 PolarHBondContact O-N 3.3Å; M242-I244 PolarHBondContact O-N 2.88Å |
| 243 | D | 78.2 | Confident | 72.9 | Confident | 19 Ų | 19 | 45.5 Ų | 45.5 | 10% | 0.102 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 121 | 178.5 | -76.1 | -4.8 | 0 | 0 | 0 | 112 | K97 L230 R234 R239 Y240 | K97-D243 WeakPolarHBondContact CE-O 3.44Å; K97-D243 VanDerWaalsContact NZ-C 3.33Å; K97-D243 PolarHBondContact NZ-O 3.34Å; L230-D243 HydrophobicContact CD2-CB 3.85Å; R234-D243 PolarHBondContact NH2-O 2.9Å; R239-D243 VanDerWaalsContact CD-OD2 3.24Å; R239-D243 WeakPolarHBondContact CD-OD2 3.32Å; R239-D243 IonicContact CZ-OD2 3.97Å; R239-D243 IonicContact NE-OD2 3.87Å; R239-D243 PolarHBondContact NE-OD2 3.38Å; Y240-D243 PolarHBondContact O-N 3.17Å |
| 244 | I | 80.4 | Confident | 71.8 | Confident | 8 Ų | 8 | 46.3 Ų | 46.3 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -92.7 | 167 | 179.4 | 56.9 | 158.2 | 0 | 0 | 0 | 113.1 | K97 Y100 E101 L167 I174 M242 | K97-I244 HydrophobicContact CD-CG2 4.22Å; K97-I244 HydrophobicContact CG-CG2 3.8Å; Y100-I244 HydrophobicContact CD1-CG2 4.07Å; Y100-I244 HydrophobicContact CE1-CB 4.03Å; Y100-I244 HydrophobicContact CE1-CD1 3.67Å; Y100-I244 HydrophobicContact CE1-CG1 4.5Å; Y100-I244 HydrophobicContact CE1-CG2 3.81Å; Y100-I244 VanDerWaalsContact OH-CD1 3.25Å; Y100-I244 WeakPolarHBondContact OH-CD1 3.29Å; E101-I244 WeakPolarHBondContact OE1-CA 3.39Å; E101-I244 WeakPolarHBondContact OE1-CB 3.24Å; E101-I244 WeakPolarHBondContact OE1-CG2 3.3Å; L167-I244 HydrophobicContact CD1-CG2 3.94Å; I174-I244 HydrophobicContact CD1-CD1 3.39Å; I174-I244 HydrophobicContact CD1-CG1 4.11Å; I174-I244 HydrophobicContact CG1-CD1 3.64Å; I174-I244 HydrophobicContact CG1-CG1 3.86Å; M242-I244 PolarHBondContact O-N 2.88Å |
| 245 | T | 80.1 | Confident | 71 | Confident | 5 Ų | 5 | 52.2 Ų | 52.2 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -67.9 | 148.9 | 164.2 | 70 | 0 | 0 | 0 | 0 | 110.4 | E101 K104 Q226 R227 L230 | E101-T245 PolarHBondContact OE1-N 3.3Å; E101-T245 PolarHBondContact OE1-OG1 3.29Å; E101-T245 WeakPolarHBondContact OE2-CB 3.42Å; E101-T245 WeakPolarHBondContact OE2-CG2 3.42Å; E101-T245 PolarHBondContact OE2-OG1 3.16Å; K104-T245 PolarHBondContact NZ-O 3.29Å; K104-T245 PolarHBondContact NZ-OG1 3.43Å; Q226-T245 HydrophobicContact CB-CG2 3.61Å; R227-T245 HydrophobicContact CG-CG2 3.73Å; L230-T245 HydrophobicContact CD1-CG2 4.31Å |
| 246 | V | 74.8 | Confident | 70 | Confident | 15 Ų | 15 | 49.8 Ų | 49.8 | 9% | 0.091 | 25% | 0.246 | C | C | . | . | trans | -127.8 | 143.4 | -173.4 | 176.8 | 0 | 0 | 0 | 0 | 108.9 | W178 Q226 G248 | W178-V246 HydrophobicContact CB-CG1 4.03Å; W178-V246 HydrophobicContact CD2-CG1 3.22Å; W178-V246 HydrophobicContact CE3-CG1 3.76Å; W178-V246 HydrophobicContact CG-CG1 3.31Å; W178-V246 HydrophobicContact CZ2-CG1 4.12Å; W178-V246 HydrophobicContact CZ3-CG1 4.43Å; Q226-V246 PolarHBondContact NE2-O 2.84Å; Q226-V246 PolarHBondContact OE1-O 3.4Å; V246-G248 PolarHBondContact O-N 3.26Å | ||
| 247 | E | 69.5 | Low | 68.7 | Low | 26 Ų | 26 | 45.1 Ų | 45.1 | 12% | 0.121 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -78.4 | 52.3 | 177.2 | -58.9 | -167.7 | 173.9 | 0 | 0 | 112 | W178 H181 H182 Q219 Q222 | W178-E247 WeakPolarHBondContact CZ3-O 3.4Å; H181-E247 IonicContact CE1-OE2 3.49Å; H182-E247 IonicContact CD2-OE2 3.63Å; H182-E247 IonicContact NE2-OE1 3.79Å; H182-E247 IonicContact NE2-OE2 3.36Å; Q219-E247 HydrophobicContact CG-CG 4.32Å; Q219-E247 PolarHBondContact NE2-OE1 3.28Å; Q219-E247 PolarHBondContact NE2-OE2 2.91Å; Q222-E247 VanDerWaalsContact OE1-C 3.27Å; Q222-E247 VanDerWaalsContact OE1-CA 3.26Å |
| 248 | G | 73.5 | Confident | 68.3 | Low | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -176.7 | -167 | -167.2 | 0 | 0 | 0 | 0 | 0 | 116 | Q222 V246 M253 | Q222-G248 PolarHBondContact NE2-O 2.89Å; V246-G248 PolarHBondContact O-N 3.26Å; G248-M253 WeakPolarHBondContact O-CE 3.34Å |
| 249 | F | 65.9 | Low | 68.7 | Low | 1 Ų | 1 | 44.5 Ų | 44.5 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | trans | -107.7 | 135 | -178.8 | -159.8 | -74.4 | 0 | 0 | 0 | 111.8 | F254 L257 L261 L264 T310 V313 | F249-F254 HydrophobicContact CD1-CZ 4.35Å; F249-F254 HydrophobicContact CE1-CD1 4.16Å; F249-F254 AromaticContact CE1-CD2 3.96Å; F249-F254 HydrophobicContact CE1-CD2 3.96Å; F249-F254 AromaticContact CE1-CE1 3.72Å; F249-F254 HydrophobicContact CE1-CE1 3.72Å; F249-F254 AromaticContact CE1-CE2 3.5Å; F249-F254 HydrophobicContact CE1-CE2 3.5Å; F249-F254 VanDerWaalsContact CE1-CE2 3.5Å; F249-F254 HydrophobicContact CE1-CG 4.25Å; F249-F254 AromaticContact CE1-CZ 3.33Å; F249-F254 HydrophobicContact CE1-CZ 3.33Å; F249-F254 AromaticContact CZ-CD1 3.81Å; F249-F254 HydrophobicContact CZ-CD1 3.81Å; F249-F254 HydrophobicContact CZ-CD2 4.35Å; F249-F254 AromaticContact CZ-CE1 3.57Å; F249-F254 HydrophobicContact CZ-CE1 3.57Å; F249-F254 HydrophobicContact CZ-CE2 4.15Å; F249-F254 HydrophobicContact CZ-CG 4.17Å; F249-F254 AromaticContact CZ-CZ 3.73Å; F249-F254 HydrophobicContact CZ-CZ 3.73Å; F249-L257 HydrophobicContact CD1-CD2 4.39Å; F249-L257 HydrophobicContact CD2-CD2 3.02Å; F249-L257 HydrophobicContact CD2-CG 4.02Å; F249-L257 HydrophobicContact CE1-CD2 4.34Å; F249-L257 HydrophobicContact CE2-CB 3.63Å; F249-L257 HydrophobicContact CE2-CD2 2.97Å; F249-L257 HydrophobicContact CE2-CG 3.51Å; F249-L257 HydrophobicContact CG-CD2 3.76Å; F249-L257 HydrophobicContact CZ-CB 3.83Å; F249-L257 HydrophobicContact CZ-CD2 3.69Å; F249-L257 HydrophobicContact CZ-CG 4.17Å; F249-L261 HydrophobicContact CD2-CB 4.2Å; F249-L261 HydrophobicContact CD2-CD1 3.69Å; F249-L261 HydrophobicContact CD2-CG 4.48Å; F249-L261 HydrophobicContact CE2-CB 3.91Å; F249-L261 HydrophobicContact CE2-CD1 4.03Å; F249-L261 HydrophobicContact CE2-CG 4.38Å; F249-L261 HydrophobicContact CG-CD1 4.36Å; F249-L264 HydrophobicContact CB-CD2 4.03Å; F249-T310 HydrophobicContact CB-CG2 3.93Å; F249-T310 HydrophobicContact CG-CG2 4.32Å; F249-V313 HydrophobicContact CD1-CB 4.32Å; F249-V313 HydrophobicContact CD1-CG1 3.55Å; F249-V313 HydrophobicContact CE1-CG1 3.86Å | ||
| 250 | H | 67.7 | Low | 69.6 | Low | 17 Ų | 17 | 40.5 Ų | 40.5 | 8% | 0.079 | 20% | 0.198 | C | C | . | . | trans | -132.8 | 152.2 | 176.6 | -86.2 | -100.8 | 0 | 0 | 0 | 112.2 | W178 W252 M253 V313 | W178-H250 AromaticContact CD1-NE2 3.36Å; W178-H250 AromaticContact CE2-NE2 3.96Å; W178-H250 AromaticContact NE1-CD2 3.72Å; W178-H250 AromaticContact NE1-CE1 3.75Å; W178-H250 AromaticContact NE1-NE2 2.94Å; W178-H250 PolarHBondContact NE1-NE2 3.38Å; H250-W252 VanDerWaalsContact CB-CD1 3.43Å; H250-W252 HydrophobicContact CB-CG 4.38Å; H250-W252 HydrophobicContact CB-CZ2 4.49Å; H250-W252 AromaticContact CG-NE1 3.61Å; H250-W252 AromaticContact ND1-NE1 3.86Å; H250-W252 PolarHBondContact O-N 2.94Å; H250-M253 HydrophobicContact CB-CG 4.21Å; H250-M253 HydrophobicContact CB-SD 3.71Å; H250-M253 PolarHBondContact N-SD 3.43Å; H250-M253 WeakPolarHBondContact O-CB 3.24Å; H250-M253 WeakPolarHBondContact O-CG 3.43Å; H250-M253 PolarHBondContact O-N 3.25Å; H250-V313 VanDerWaalsContact C-CG1 3.49Å | ||
| 251 | S | 62.8 | Low | 70.6 | Confident | 30 Ų | 30 | 35.9 Ų | 35.9 | 21% | 0.21 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.2 | -171.2 | 66.5 | 0 | 0 | 0 | 0 | 115.3 | M253 F254 R320 | S251-M253 VanDerWaalsContact C-N 3.32Å; S251-F254 WeakPolarHBondContact O-CD2 3.44Å; S251-R320 VanDerWaalsContact CB-NH2 3.28Å; S251-R320 PolarHBondContact OG-NH2 3.02Å |
| 252 | W | 64.3 | Low | 71.6 | Confident | 34 Ų | 34 | 37.4 Ų | 37.4 | 13% | 0.129 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -11.4 | 179.4 | 54.2 | -84.3 | 0 | 0 | 0 | 112.8 | Q226 C229 L230 L233 H250 | Q226-W252 HydrophobicContact CB-CH2 3.98Å; Q226-W252 HydrophobicContact CG-CH2 3.96Å; C229-W252 HydrophobicContact CB-CE3 4.01Å; C229-W252 HydrophobicContact CB-CZ3 3.52Å; L230-W252 HydrophobicContact CD1-CH2 3.93Å; L230-W252 HydrophobicContact CD1-CZ2 4.48Å; L230-W252 HydrophobicContact CD2-CE3 4.43Å; L230-W252 HydrophobicContact CD2-CH2 3.72Å; L230-W252 HydrophobicContact CD2-CZ2 3.99Å; L230-W252 HydrophobicContact CD2-CZ3 3.94Å; L230-W252 HydrophobicContact CG-CH2 3.47Å; L230-W252 VanDerWaalsContact CG-CH2 3.47Å; L230-W252 HydrophobicContact CG-CZ2 4.19Å; L230-W252 HydrophobicContact CG-CZ3 3.72Å; L233-W252 HydrophobicContact CD1-CB 3.92Å; L233-W252 HydrophobicContact CD1-CD2 4.13Å; L233-W252 HydrophobicContact CD1-CE3 3.61Å; L233-W252 HydrophobicContact CD1-CG 4.31Å; L233-W252 HydrophobicContact CD1-CZ3 4.48Å; H250-W252 VanDerWaalsContact CB-CD1 3.43Å; H250-W252 HydrophobicContact CB-CG 4.38Å; H250-W252 HydrophobicContact CB-CZ2 4.49Å; H250-W252 AromaticContact CG-NE1 3.61Å; H250-W252 AromaticContact ND1-NE1 3.86Å; H250-W252 PolarHBondContact O-N 2.94Å |
| 253 | M | 63.5 | Low | 72.4 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -84.1 | -16.6 | -176.5 | -53.3 | 160.2 | 99.4 | 0 | 0 | 111.7 | Y225 Q226 G248 H250 S251 R255 G256 L257 | Y225-M253 HydrophobicContact CE1-CB 4.2Å; Y225-M253 PolarHBondContact OH-O 2.84Å; Q226-M253 HydrophobicContact CG-CE 3.17Å; G248-M253 WeakPolarHBondContact O-CE 3.34Å; H250-M253 HydrophobicContact CB-CG 4.21Å; H250-M253 HydrophobicContact CB-SD 3.71Å; H250-M253 PolarHBondContact N-SD 3.43Å; H250-M253 WeakPolarHBondContact O-CB 3.24Å; H250-M253 WeakPolarHBondContact O-CG 3.43Å; H250-M253 PolarHBondContact O-N 3.25Å; S251-M253 VanDerWaalsContact C-N 3.32Å; M253-R255 PolarHBondContact O-N 2.92Å; M253-G256 PolarHBondContact O-N 3.1Å; M253-G256 VanDerWaalsContact O-N 3.1Å; M253-L257 HydrophobicContact CB-CB 3.51Å; M253-L257 HydrophobicContact CB-CD1 3.99Å; M253-L257 HydrophobicContact CB-CD2 3.53Å; M253-L257 HydrophobicContact CB-CG 3.83Å; M253-L257 HydrophobicContact CE-CD1 3.91Å; M253-L257 HydrophobicContact CE-CD2 3.41Å; M253-L257 VanDerWaalsContact CE-CD2 3.41Å; M253-L257 HydrophobicContact CE-CG 4.33Å; M253-L257 HydrophobicContact CG-CD2 4.1Å; M253-L257 WeakPolarHBondContact O-CB 3.45Å; M253-L257 PolarHBondContact O-N 2.95Å; M253-L257 HydrophobicContact SD-CD2 3.43Å; M253-L257 WeakPolarHBondContact SD-CD2 3.39Å |
| 254 | F | 59.5 | Low | 73 | Confident | 40 Ų | 40 | 38.7 Ų | 38.7 | 18% | 0.175 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -52.8 | -21.3 | -174.5 | -82.9 | -69.9 | 0 | 0 | 0 | 116.6 | F249 S251 G256 V313 K317 | F249-F254 HydrophobicContact CD1-CZ 4.35Å; F249-F254 HydrophobicContact CE1-CD1 4.16Å; F249-F254 AromaticContact CE1-CD2 3.96Å; F249-F254 HydrophobicContact CE1-CD2 3.96Å; F249-F254 AromaticContact CE1-CE1 3.72Å; F249-F254 HydrophobicContact CE1-CE1 3.72Å; F249-F254 AromaticContact CE1-CE2 3.5Å; F249-F254 HydrophobicContact CE1-CE2 3.5Å; F249-F254 VanDerWaalsContact CE1-CE2 3.5Å; F249-F254 HydrophobicContact CE1-CG 4.25Å; F249-F254 AromaticContact CE1-CZ 3.33Å; F249-F254 HydrophobicContact CE1-CZ 3.33Å; F249-F254 AromaticContact CZ-CD1 3.81Å; F249-F254 HydrophobicContact CZ-CD1 3.81Å; F249-F254 HydrophobicContact CZ-CD2 4.35Å; F249-F254 AromaticContact CZ-CE1 3.57Å; F249-F254 HydrophobicContact CZ-CE1 3.57Å; F249-F254 HydrophobicContact CZ-CE2 4.15Å; F249-F254 HydrophobicContact CZ-CG 4.17Å; F249-F254 AromaticContact CZ-CZ 3.73Å; F249-F254 HydrophobicContact CZ-CZ 3.73Å; S251-F254 WeakPolarHBondContact O-CD2 3.44Å; F254-G256 PolarHBondContact O-N 3.37Å; F254-V313 HydrophobicContact CE2-CG1 3.85Å; F254-V313 HydrophobicContact CZ-CG1 4.33Å; F254-K317 HydrophobicContact CB-CD 4.43Å; F254-K317 HydrophobicContact CD1-CG 4.12Å; F254-K317 HydrophobicContact CD2-CB 3.84Å; F254-K317 HydrophobicContact CD2-CD 3.73Å; F254-K317 HydrophobicContact CD2-CG 3.61Å; F254-K317 HydrophobicContact CE1-CB 4.37Å; F254-K317 HydrophobicContact CE1-CG 4.11Å; F254-K317 HydrophobicContact CE2-CB 3.35Å; F254-K317 HydrophobicContact CE2-CD 4.17Å; F254-K317 HydrophobicContact CE2-CG 3.61Å; F254-K317 HydrophobicContact CG-CD 4.06Å; F254-K317 HydrophobicContact CG-CG 3.9Å; F254-K317 HydrophobicContact CZ-CB 3.68Å; F254-K317 HydrophobicContact CZ-CG 3.89Å |
| 255 | R | 63 | Low | 73.6 | Confident | 207 Ų | 207 | 42 Ų | 42 | 78% | 0.781 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -67.3 | -12.7 | 179.8 | -145.1 | 175.8 | -174 | 170.3 | 0.3 | 113.2 | M253 | M253-R255 PolarHBondContact O-N 2.92Š|
| 256 | G | 58.6 | Low | 74.3 | Confident | 31 Ų | 31 | 47.1 Ų | 47.1 | 32% | 0.32 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -152.8 | 3.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y225 M253 F254 T258 F259 | Y225-G256 WeakPolarHBondContact OH-CA 3.42Å; Y225-G256 PolarHBondContact OH-N 3.29Å; M253-G256 PolarHBondContact O-N 3.1Å; M253-G256 VanDerWaalsContact O-N 3.1Å; F254-G256 PolarHBondContact O-N 3.37Å; G256-T258 VanDerWaalsContact C-N 3.32Å; G256-T258 PolarHBondContact O-N 3.23Å; G256-F259 PolarHBondContact O-N 3Å |
| 257 | L | 54.9 | Low | 75.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 3.9 | -175.2 | -146.8 | 82.3 | 0 | 0 | 0 | 115.2 | Y225 F249 M253 F259 L260 L261 | Y225-L257 HydrophobicContact CD1-CD1 3.08Å; Y225-L257 HydrophobicContact CD2-CD1 4.31Å; Y225-L257 HydrophobicContact CE1-CB 4.12Å; Y225-L257 HydrophobicContact CE1-CD1 3.02Å; Y225-L257 HydrophobicContact CE1-CG 4.17Å; Y225-L257 HydrophobicContact CE2-CD1 4.24Å; Y225-L257 HydrophobicContact CG-CD1 3.77Å; Y225-L257 PolarHBondContact OH-N 3.48Å; Y225-L257 VanDerWaalsContact OH-N 3.12Å; F249-L257 HydrophobicContact CD1-CD2 4.39Å; F249-L257 HydrophobicContact CD2-CD2 3.02Å; F249-L257 HydrophobicContact CD2-CG 4.02Å; F249-L257 HydrophobicContact CE1-CD2 4.34Å; F249-L257 HydrophobicContact CE2-CB 3.63Å; F249-L257 HydrophobicContact CE2-CD2 2.97Å; F249-L257 HydrophobicContact CE2-CG 3.51Å; F249-L257 HydrophobicContact CG-CD2 3.76Å; F249-L257 HydrophobicContact CZ-CB 3.83Å; F249-L257 HydrophobicContact CZ-CD2 3.69Å; F249-L257 HydrophobicContact CZ-CG 4.17Å; M253-L257 HydrophobicContact CB-CB 3.51Å; M253-L257 HydrophobicContact CB-CD1 3.99Å; M253-L257 HydrophobicContact CB-CD2 3.53Å; M253-L257 HydrophobicContact CB-CG 3.83Å; M253-L257 HydrophobicContact CE-CD1 3.91Å; M253-L257 HydrophobicContact CE-CD2 3.41Å; M253-L257 VanDerWaalsContact CE-CD2 3.41Å; M253-L257 HydrophobicContact CE-CG 4.33Å; M253-L257 HydrophobicContact CG-CD2 4.1Å; M253-L257 WeakPolarHBondContact O-CB 3.45Å; M253-L257 PolarHBondContact O-N 2.95Å; M253-L257 HydrophobicContact SD-CD2 3.43Å; M253-L257 WeakPolarHBondContact SD-CD2 3.39Å; L257-F259 PolarHBondContact O-N 3.21Å; L257-F259 VanDerWaalsContact O-N 3.13Å; L257-L260 HydrophobicContact CD1-CB 3.5Å; L257-L260 VanDerWaalsContact CD1-CB 3.5Å; L257-L260 HydrophobicContact CD1-CD2 3.65Å; L257-L260 HydrophobicContact CD1-CG 4.22Å; L257-L260 HydrophobicContact CD2-CB 4.18Å; L257-L260 HydrophobicContact CD2-CD2 4.08Å; L257-L260 HydrophobicContact CG-CB 3.58Å; L257-L260 HydrophobicContact CG-CD2 4.18Å; L257-L260 PolarHBondContact O-N 3.01Å; L257-L261 PolarHBondContact O-N 3.44Å; L257-L261 VanDerWaalsContact O-N 3.15Å |
| 258 | T | 67.5 | Low | 76.5 | Confident | 101 Ų | 101 | 46 Ų | 46 | 62% | 0.62 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -27.4 | 163.6 | -38 | 0 | 0 | 0 | 0 | 110.2 | G256 P262 | G256-T258 VanDerWaalsContact C-N 3.32Å; G256-T258 PolarHBondContact O-N 3.23Å; T258-P262 WeakPolarHBondContact O-CD 3.5Å |
| 259 | F | 80.4 | Confident | 77.6 | Confident | 127 Ų | 127 | 51 Ų | 51 | 56% | 0.557 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -44.3 | 175.4 | 176.3 | -104.1 | 0 | 0 | 0 | 114.4 | G256 L257 P262 F263 | G256-F259 PolarHBondContact O-N 3Å; L257-F259 PolarHBondContact O-N 3.21Å; L257-F259 VanDerWaalsContact O-N 3.13Å; F259-P262 WeakPolarHBondContact O-CD 3.39Å; F259-F263 HydrophobicContact CD1-CE2 4.39Å; F259-F263 HydrophobicContact CD2-CE2 4.34Å; F259-F263 AromaticContact CE1-CE2 3.88Å; F259-F263 HydrophobicContact CE1-CE2 3.88Å; F259-F263 AromaticContact CE2-CE2 3.83Å; F259-F263 HydrophobicContact CE2-CE2 3.83Å; F259-F263 HydrophobicContact CE2-CZ 4.26Å; F259-F263 AromaticContact CZ-CE2 3.57Å; F259-F263 HydrophobicContact CZ-CE2 3.57Å; F259-F263 AromaticContact CZ-CZ 3.91Å; F259-F263 HydrophobicContact CZ-CZ 3.91Å; F259-F263 VanDerWaalsContact O-CD2 3.24Å; F259-F263 WeakPolarHBondContact O-CD2 3.3Å; F259-F263 WeakPolarHBondContact O-CE2 3.41Å |
| 260 | L | 85.3 | Confident | 79.1 | Confident | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -78.2 | -28.4 | -176.3 | -159.8 | 75.1 | 0 | 0 | 0 | 111.5 | L221 Q222 L257 F263 L264 | L221-L260 HydrophobicContact CB-CD1 3.58Å; L221-L260 HydrophobicContact CD1-CD1 4.42Å; Q222-L260 HydrophobicContact CB-CD2 3.83Å; Q222-L260 HydrophobicContact CG-CD2 3.75Å; L257-L260 HydrophobicContact CD1-CB 3.5Å; L257-L260 VanDerWaalsContact CD1-CB 3.5Å; L257-L260 HydrophobicContact CD1-CD2 3.65Å; L257-L260 HydrophobicContact CD1-CG 4.22Å; L257-L260 HydrophobicContact CD2-CB 4.18Å; L257-L260 HydrophobicContact CD2-CD2 4.08Å; L257-L260 HydrophobicContact CG-CB 3.58Å; L257-L260 HydrophobicContact CG-CD2 4.18Å; L257-L260 PolarHBondContact O-N 3.01Å; L260-F263 WeakPolarHBondContact O-CB 3.38Å; L260-F263 PolarHBondContact O-N 3.46Å; L260-L264 HydrophobicContact CB-CD1 4.07Å; L260-L264 HydrophobicContact CD2-CD1 3.53Å; L260-L264 HydrophobicContact CG-CD1 3.37Å; L260-L264 WeakPolarHBondContact O-CD1 3.36Å; L260-L264 PolarHBondContact O-N 2.85Å; L260-L264 VanDerWaalsContact O-N 3.09Å |
| 261 | L | 87.5 | Confident | 80.5 | Confident | 30 Ų | 30 | 52.7 Ų | 52.7 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.4 | -44.6 | -174.5 | -177.1 | 65.4 | 0 | 0 | 0 | 113.6 | F249 L257 F263 L264 I265 T310 | F249-L261 HydrophobicContact CD2-CB 4.2Å; F249-L261 HydrophobicContact CD2-CD1 3.69Å; F249-L261 HydrophobicContact CD2-CG 4.48Å; F249-L261 HydrophobicContact CE2-CB 3.91Å; F249-L261 HydrophobicContact CE2-CD1 4.03Å; F249-L261 HydrophobicContact CE2-CG 4.38Å; F249-L261 HydrophobicContact CG-CD1 4.36Å; L257-L261 PolarHBondContact O-N 3.44Å; L257-L261 VanDerWaalsContact O-N 3.15Å; L261-F263 VanDerWaalsContact C-N 3.31Å; L261-F263 PolarHBondContact O-N 2.87Å; L261-L264 PolarHBondContact O-N 3.14Å; L261-I265 HydrophobicContact CD1-CD1 3.97Å; L261-I265 HydrophobicContact CD1-CG1 4.1Å; L261-I265 HydrophobicContact CD2-CD1 4.35Å; L261-I265 HydrophobicContact CG-CD1 3.74Å; L261-I265 HydrophobicContact CG-CG1 4.28Å; L261-I265 WeakPolarHBondContact O-CG1 3.42Å; L261-I265 PolarHBondContact O-N 3.2Å; L261-T310 HydrophobicContact CD1-CG2 3.59Å |
| 262 | P | 90.6 | Very high | 82.1 | Confident | 78 Ų | 78 | 54.4 Ų | 54.4 | 51% | 0.506 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -53.3 | -43.4 | 171.8 | -28.6 | 33.2 | 0 | 0 | 0 | 114.1 | T258 F259 I265 F266 | T258-P262 WeakPolarHBondContact O-CD 3.5Å; F259-P262 WeakPolarHBondContact O-CD 3.39Å; P262-I265 PolarHBondContact O-N 3.45Å; P262-F266 WeakPolarHBondContact O-CB 3.31Å; P262-F266 PolarHBondContact O-N 3.36Å |
| 263 | F | 92.7 | Very high | 83.7 | Confident | 58 Ų | 58 | 58 Ų | 58 | 25% | 0.254 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.6 | -40.4 | 178.7 | -60.5 | -88.5 | 0 | 0 | 0 | 111.8 | Y214 F217 V218 L221 F259 L260 L261 G267 | Y214-F263 PolarHBondContact OH-O 3.37Å; F217-F263 HydrophobicContact CE1-CD1 4.34Å; F217-F263 HydrophobicContact CE1-CE1 4.4Å; V218-F263 HydrophobicContact CG2-CB 4.18Å; L221-F263 HydrophobicContact CD1-CD1 4.45Å; F259-F263 HydrophobicContact CD1-CE2 4.39Å; F259-F263 HydrophobicContact CD2-CE2 4.34Å; F259-F263 AromaticContact CE1-CE2 3.88Å; F259-F263 HydrophobicContact CE1-CE2 3.88Å; F259-F263 AromaticContact CE2-CE2 3.83Å; F259-F263 HydrophobicContact CE2-CE2 3.83Å; F259-F263 HydrophobicContact CE2-CZ 4.26Å; F259-F263 AromaticContact CZ-CE2 3.57Å; F259-F263 HydrophobicContact CZ-CE2 3.57Å; F259-F263 AromaticContact CZ-CZ 3.91Å; F259-F263 HydrophobicContact CZ-CZ 3.91Å; F259-F263 VanDerWaalsContact O-CD2 3.24Å; F259-F263 WeakPolarHBondContact O-CD2 3.3Å; F259-F263 WeakPolarHBondContact O-CE2 3.41Å; L260-F263 WeakPolarHBondContact O-CB 3.38Å; L260-F263 PolarHBondContact O-N 3.46Å; L261-F263 VanDerWaalsContact C-N 3.31Å; L261-F263 PolarHBondContact O-N 2.87Å; F263-G267 PolarHBondContact O-N 3.07Å |
| 264 | L | 91.6 | Very high | 85.2 | Confident | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.9 | -47.7 | 175 | -81.2 | 81.6 | 0 | 0 | 0 | 111.1 | V218 F249 L260 L261 F266 G267 Y268 | V218-L264 HydrophobicContact CG1-CD1 4.33Å; V218-L264 HydrophobicContact CG1-CG 4.48Å; F249-L264 HydrophobicContact CB-CD2 4.03Å; L260-L264 HydrophobicContact CB-CD1 4.07Å; L260-L264 HydrophobicContact CD2-CD1 3.53Å; L260-L264 HydrophobicContact CG-CD1 3.37Å; L260-L264 WeakPolarHBondContact O-CD1 3.36Å; L260-L264 PolarHBondContact O-N 2.85Å; L260-L264 VanDerWaalsContact O-N 3.09Å; L261-L264 PolarHBondContact O-N 3.14Å; L264-F266 VanDerWaalsContact C-N 3.31Å; L264-F266 PolarHBondContact O-N 3.02Å; L264-G267 PolarHBondContact O-N 3.18Å; L264-G267 VanDerWaalsContact O-N 3.14Å; L264-Y268 HydrophobicContact CB-CE1 4.33Å; L264-Y268 HydrophobicContact CB-CE2 4.27Å; L264-Y268 WeakPolarHBondContact CD2-OH 3.43Å; L264-Y268 WeakPolarHBondContact O-CD1 3.43Å; L264-Y268 PolarHBondContact O-N 3.05Å |
| 265 | I | 92.4 | Very high | 87.1 | Confident | 77 Ų | 77 | 56.6 Ų | 56.6 | 40% | 0.395 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.7 | -45.6 | -179.1 | -69.9 | 171.8 | 0 | 0 | 0 | 110 | L261 P262 G267 Y268 L269 | L261-I265 HydrophobicContact CD1-CD1 3.97Å; L261-I265 HydrophobicContact CD1-CG1 4.1Å; L261-I265 HydrophobicContact CD2-CD1 4.35Å; L261-I265 HydrophobicContact CG-CD1 3.74Å; L261-I265 HydrophobicContact CG-CG1 4.28Å; L261-I265 WeakPolarHBondContact O-CG1 3.42Å; L261-I265 PolarHBondContact O-N 3.2Å; P262-I265 PolarHBondContact O-N 3.45Å; I265-G267 VanDerWaalsContact C-N 3.35Å; I265-G267 PolarHBondContact O-N 3.22Å; I265-Y268 PolarHBondContact O-N 3.47Å; I265-L269 HydrophobicContact CG2-CD1 3.96Å; I265-L269 HydrophobicContact CG2-CG 4.32Å; I265-L269 WeakPolarHBondContact O-CB 3.36Å; I265-L269 VanDerWaalsContact O-CG 3.31Å; I265-L269 WeakPolarHBondContact O-CG 3.48Å; I265-L269 PolarHBondContact O-N 2.93Å |
| 266 | F | 95 | Very high | 88.7 | Confident | 113 Ų | 113 | 53.1 Ų | 53.1 | 50% | 0.496 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.6 | -46 | 175.3 | -178.7 | -84.6 | 0 | 0 | 0 | 111.6 | Y214 P262 L264 Y268 L269 Y270 | Y214-F266 HydrophobicContact CD2-CD1 4.4Å; Y214-F266 HydrophobicContact CD2-CE1 4.21Å; Y214-F266 AromaticContact CE1-CD1 3.76Å; Y214-F266 HydrophobicContact CE1-CD1 3.76Å; Y214-F266 HydrophobicContact CE1-CE1 4.41Å; Y214-F266 AromaticContact CE2-CD1 3.63Å; Y214-F266 HydrophobicContact CE2-CD1 3.63Å; Y214-F266 AromaticContact CE2-CE1 3.75Å; Y214-F266 HydrophobicContact CE2-CE1 3.75Å; Y214-F266 AromaticContact CZ-CD1 3.26Å; Y214-F266 AromaticContact CZ-CE1 3.88Å; Y214-F266 WeakPolarHBondContact OH-CD1 3.23Å; P262-F266 WeakPolarHBondContact O-CB 3.31Å; P262-F266 PolarHBondContact O-N 3.36Å; L264-F266 VanDerWaalsContact C-N 3.31Å; L264-F266 PolarHBondContact O-N 3.02Å; F266-Y268 VanDerWaalsContact C-N 3.3Å; F266-Y268 PolarHBondContact O-N 3.01Å; F266-L269 PolarHBondContact O-N 2.78Å; F266-Y270 WeakPolarHBondContact O-CB 3.48Å; F266-Y270 PolarHBondContact O-N 2.99Å |
| 267 | G | 94.6 | Very high | 90.5 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.7 | -41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | Y214 F263 L264 I265 Y270 Q271 | Y214-G267 VanDerWaalsContact CE1-CA 3.42Å; F263-G267 PolarHBondContact O-N 3.07Å; L264-G267 PolarHBondContact O-N 3.18Å; L264-G267 VanDerWaalsContact O-N 3.14Å; I265-G267 VanDerWaalsContact C-N 3.35Å; I265-G267 PolarHBondContact O-N 3.22Å; G267-Y270 PolarHBondContact O-N 3.44Å; G267-Q271 VanDerWaalsContact O-CB 3.29Å; G267-Q271 WeakPolarHBondContact O-CB 3.42Å; G267-Q271 PolarHBondContact O-N 3.23Å |
| 268 | Y | 95.1 | Very high | 92.5 | Very high | 15 Ų | 15 | 56.3 Ų | 56.3 | 6% | 0.059 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.7 | -41.2 | 178.7 | -58.2 | -13 | 0 | 0 | 0 | 112.2 | L264 I265 F266 Y270 Q271 L272 N306 T310 | L264-Y268 HydrophobicContact CB-CE1 4.33Å; L264-Y268 HydrophobicContact CB-CE2 4.27Å; L264-Y268 WeakPolarHBondContact CD2-OH 3.43Å; L264-Y268 WeakPolarHBondContact O-CD1 3.43Å; L264-Y268 PolarHBondContact O-N 3.05Å; I265-Y268 PolarHBondContact O-N 3.47Å; F266-Y268 VanDerWaalsContact C-N 3.3Å; F266-Y268 PolarHBondContact O-N 3.01Å; Y268-Y270 VanDerWaalsContact C-N 3.35Å; Y268-Q271 PolarHBondContact O-N 3.46Å; Y268-L272 WeakPolarHBondContact O-CB 3.25Å; Y268-L272 PolarHBondContact O-N 2.85Å; Y268-N306 HydrophobicContact CD1-CB 3.95Å; Y268-N306 HydrophobicContact CD2-CB 4.24Å; Y268-N306 HydrophobicContact CE1-CB 3.68Å; Y268-N306 HydrophobicContact CE2-CB 3.95Å; Y268-N306 WeakPolarHBondContact CE2-O 3.35Å; Y268-N306 HydrophobicContact CG-CB 4.23Å; Y268-T310 PolarHBondContact OH-OG1 3.4Å |
| 269 | L | 96.2 | Very high | 93.9 | Very high | 106 Ų | 106 | 56.8 Ų | 56.8 | 56% | 0.555 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 175 | -70.7 | 175.1 | 0 | 0 | 0 | 111.2 | I265 F266 L272 Y273 | I265-L269 HydrophobicContact CG2-CD1 3.96Å; I265-L269 HydrophobicContact CG2-CG 4.32Å; I265-L269 WeakPolarHBondContact O-CB 3.36Å; I265-L269 VanDerWaalsContact O-CG 3.31Å; I265-L269 WeakPolarHBondContact O-CG 3.48Å; I265-L269 PolarHBondContact O-N 2.93Å; F266-L269 PolarHBondContact O-N 2.78Å; L269-L272 PolarHBondContact O-N 3.05Å; L269-Y273 WeakPolarHBondContact O-CB 3.28Å; L269-Y273 PolarHBondContact O-N 3.47Å |
| 270 | Y | 97.1 | Very high | 94.6 | Very high | 41 Ų | 41 | 53.9 Ų | 53.9 | 16% | 0.161 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -66.5 | -43.2 | 177 | -171.9 | -135.7 | 0 | 0 | 0 | 111 | Q207 L211 F266 G267 Y268 L272 Y273 I274 | Q207-Y270 PolarHBondContact O-OH 3.39Å; Q207-Y270 PolarHBondContact OE1-OH 3.46Å; L211-Y270 HydrophobicContact CB-CD1 4.19Å; L211-Y270 HydrophobicContact CB-CE1 3.83Å; L211-Y270 HydrophobicContact CD1-CD1 3.57Å; L211-Y270 HydrophobicContact CD1-CE1 4.11Å; L211-Y270 HydrophobicContact CD1-CG 4.39Å; L211-Y270 HydrophobicContact CG-CD1 4.48Å; F266-Y270 WeakPolarHBondContact O-CB 3.48Å; F266-Y270 PolarHBondContact O-N 2.99Å; G267-Y270 PolarHBondContact O-N 3.44Å; Y268-Y270 VanDerWaalsContact C-N 3.35Å; Y270-L272 VanDerWaalsContact C-N 3.31Å; Y270-L272 PolarHBondContact O-N 2.98Å; Y270-Y273 HydrophobicContact CD2-CD1 4.1Å; Y270-Y273 HydrophobicContact CE2-CD1 4.1Å; Y270-Y273 WeakPolarHBondContact O-CB 3.33Å; Y270-Y273 PolarHBondContact O-N 2.84Å; Y270-I274 HydrophobicContact CD2-CG1 4.5Å; Y270-I274 HydrophobicContact CE2-CD1 4Å; Y270-I274 HydrophobicContact CE2-CG1 4.28Å; Y270-I274 WeakPolarHBondContact O-CG1 3.38Å; Y270-I274 PolarHBondContact O-N 3.21Å |
| 271 | Q | 97.3 | Very high | 95 | Very high | 13 Ų | 13 | 55.4 Ų | 55.4 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.2 | -41.6 | 173.6 | -171.3 | 178.9 | -20.1 | 0 | 0 | 112.4 | L211 G267 Y268 I274 A275 F299 V302 A303 | L211-Q271 HydrophobicContact CD1-CB 4.32Å; L211-Q271 HydrophobicContact CD2-CG 4.35Å; G267-Q271 VanDerWaalsContact O-CB 3.29Å; G267-Q271 WeakPolarHBondContact O-CB 3.42Å; G267-Q271 PolarHBondContact O-N 3.23Å; Y268-Q271 PolarHBondContact O-N 3.46Å; Q271-I274 PolarHBondContact O-N 3.29Å; Q271-A275 PolarHBondContact O-N 2.95Å; Q271-F299 HydrophobicContact CG-CD1 3.7Å; Q271-F299 HydrophobicContact CG-CE1 4.4Å; Q271-F299 PolarHBondContact NE2-O 3.2Å; Q271-V302 VanDerWaalsContact NE2-CB 3.27Å; Q271-A303 HydrophobicContact CB-CB 4.23Å; Q271-A303 HydrophobicContact CG-CB 4.06Å |
| 272 | L | 97.4 | Very high | 95.3 | Very high | 65 Ų | 65 | 54.8 Ų | 54.8 | 34% | 0.34 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.2 | -40.9 | 175.6 | -177 | 62.3 | 0 | 0 | 0 | 111.8 | Y268 L269 Y270 A275 Y276 F300 A303 | Y268-L272 WeakPolarHBondContact O-CB 3.25Å; Y268-L272 PolarHBondContact O-N 2.85Å; L269-L272 PolarHBondContact O-N 3.05Å; Y270-L272 VanDerWaalsContact C-N 3.31Å; Y270-L272 PolarHBondContact O-N 2.98Å; L272-A275 WeakPolarHBondContact O-CB 3.18Å; L272-A275 PolarHBondContact O-N 2.95Å; L272-Y276 PolarHBondContact O-N 3.35Å; L272-F300 HydrophobicContact CD1-CD2 3.55Å; L272-F300 HydrophobicContact CD1-CE2 3.83Å; L272-A303 HydrophobicContact CB-CB 4.11Å; L272-A303 HydrophobicContact CD1-CB 4.47Å |
| 273 | Y | 97.1 | Very high | 95.4 | Very high | 111 Ų | 111 | 57.6 Ų | 57.6 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 174.4 | 171 | -98.3 | 0 | 0 | 0 | 111.9 | L269 Y270 Y276 K277 | L269-Y273 WeakPolarHBondContact O-CB 3.28Å; L269-Y273 PolarHBondContact O-N 3.47Å; Y270-Y273 HydrophobicContact CD2-CD1 4.1Å; Y270-Y273 HydrophobicContact CE2-CD1 4.1Å; Y270-Y273 WeakPolarHBondContact O-CB 3.33Å; Y270-Y273 PolarHBondContact O-N 2.84Å; Y273-Y276 PolarHBondContact O-N 3.45Å; Y273-K277 HydrophobicContact CD1-CG 4.32Å; Y273-K277 HydrophobicContact CD2-CG 4.39Å; Y273-K277 HydrophobicContact CE1-CG 3.87Å; Y273-K277 HydrophobicContact CE2-CD 4.37Å; Y273-K277 HydrophobicContact CE2-CG 3.97Å; Y273-K277 WeakPolarHBondContact O-CB 3.47Å; Y273-K277 WeakPolarHBondContact O-CG 3.4Å; Y273-K277 PolarHBondContact O-N 3.27Å; Y273-K277 VanDerWaalsContact OH-CE 3.23Å; Y273-K277 WeakPolarHBondContact OH-CE 3.48Å |
| 274 | I | 96.3 | Very high | 95.4 | Very high | 6 Ų | 6 | 59.4 Ų | 59.4 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.3 | -45.9 | 174.7 | -65.3 | -55.3 | 0 | 0 | 0 | 111.1 | Q207 L208 L211 Y270 Q271 Y276 K277 L278 F299 | Q207-I274 HydrophobicContact CB-CD1 3.62Å; Q207-I274 HydrophobicContact CG-CD1 4.42Å; L208-I274 HydrophobicContact CD2-CG2 3.7Å; L211-I274 HydrophobicContact CD2-CG1 4.23Å; Y270-I274 HydrophobicContact CD2-CG1 4.5Å; Y270-I274 HydrophobicContact CE2-CD1 4Å; Y270-I274 HydrophobicContact CE2-CG1 4.28Å; Y270-I274 WeakPolarHBondContact O-CG1 3.38Å; Y270-I274 PolarHBondContact O-N 3.21Å; Q271-I274 PolarHBondContact O-N 3.29Å; I274-Y276 VanDerWaalsContact C-N 3.31Å; I274-Y276 PolarHBondContact O-N 3.17Å; I274-K277 PolarHBondContact O-N 3.22Å; I274-L278 HydrophobicContact CG2-CD1 3.91Å; I274-L278 HydrophobicContact CG2-CG 4.27Å; I274-L278 WeakPolarHBondContact O-CB 3.44Å; I274-L278 WeakPolarHBondContact O-CG 3.4Å; I274-L278 PolarHBondContact O-N 3.27Å; I274-F299 HydrophobicContact CG2-CD2 4.47Å; I274-F299 HydrophobicContact CG2-CE2 4.48Å |
| 275 | A | 98 | Very high | 95.3 | Very high | 3 Ų | 3 | 66.1 Ų | 66.1 | 3% | 0.025 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.1 | -46.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q271 L272 Y279 F299 F300 | Q271-A275 PolarHBondContact O-N 2.95Å; L272-A275 WeakPolarHBondContact O-CB 3.18Å; L272-A275 PolarHBondContact O-N 2.95Å; A275-Y279 WeakPolarHBondContact O-CB 3.33Å; A275-Y279 PolarHBondContact O-N 2.92Å; A275-F299 HydrophobicContact CB-CB 3.74Å; A275-F300 HydrophobicContact CB-CB 3.89Å |
| 276 | Y | 97.5 | Very high | 95.1 | Very high | 134 Ų | 134 | 67 Ų | 67 | 53% | 0.525 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 177.1 | 176.7 | -111.5 | 0 | 0 | 0 | 112.4 | L272 Y273 I274 Y279 L280 | L272-Y276 PolarHBondContact O-N 3.35Å; Y273-Y276 PolarHBondContact O-N 3.45Å; I274-Y276 VanDerWaalsContact C-N 3.31Å; I274-Y276 PolarHBondContact O-N 3.17Å; Y276-Y279 WeakPolarHBondContact O-CB 3.35Å; Y276-Y279 PolarHBondContact O-N 3.11Å; Y276-L280 HydrophobicContact CD1-CD1 4.19Å; Y276-L280 HydrophobicContact CE1-CD1 3.53Å; Y276-L280 HydrophobicContact CE1-CG 4.16Å; Y276-L280 HydrophobicContact CE2-CD1 4.33Å; Y276-L280 HydrophobicContact CE2-CD2 4.15Å; Y276-L280 HydrophobicContact CE2-CG 4.13Å; Y276-L280 WeakPolarHBondContact O-CG 3.36Å; Y276-L280 PolarHBondContact O-N 3.26Å |
| 277 | K | 96.7 | Very high | 94.8 | Very high | 95 Ų | 95 | 61.9 Ų | 61.9 | 41% | 0.413 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 177.4 | -77.3 | -66.6 | -120.5 | 178 | 0 | 112.3 | Y273 I274 Y279 L280 I281 | Y273-K277 HydrophobicContact CD1-CG 4.32Å; Y273-K277 HydrophobicContact CD2-CG 4.39Å; Y273-K277 HydrophobicContact CE1-CG 3.87Å; Y273-K277 HydrophobicContact CE2-CD 4.37Å; Y273-K277 HydrophobicContact CE2-CG 3.97Å; Y273-K277 WeakPolarHBondContact O-CB 3.47Å; Y273-K277 WeakPolarHBondContact O-CG 3.4Å; Y273-K277 PolarHBondContact O-N 3.27Å; Y273-K277 VanDerWaalsContact OH-CE 3.23Å; Y273-K277 WeakPolarHBondContact OH-CE 3.48Å; I274-K277 PolarHBondContact O-N 3.22Å; K277-Y279 VanDerWaalsContact C-N 3.3Å; K277-Y279 PolarHBondContact O-N 3.48Å; K277-L280 PolarHBondContact O-N 2.62Å; K277-I281 VanDerWaalsContact O-CG1 3.3Å; K277-I281 WeakPolarHBondContact O-CG1 3.44Å; K277-I281 PolarHBondContact O-N 3.31Å |
| 278 | L | 96.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 67.4 Ų | 67.4 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.2 | -41 | 174 | -72.2 | 173.7 | 0 | 0 | 0 | 111 | W195 L208 I274 L280 I281 S282 V292 L295 A296 F299 | W195-L278 HydrophobicContact CH2-CD2 3.87Å; W195-L278 HydrophobicContact CZ3-CD2 4.38Å; L208-L278 HydrophobicContact CD2-CD1 4.38Å; I274-L278 HydrophobicContact CG2-CD1 3.91Å; I274-L278 HydrophobicContact CG2-CG 4.27Å; I274-L278 WeakPolarHBondContact O-CB 3.44Å; I274-L278 WeakPolarHBondContact O-CG 3.4Å; I274-L278 PolarHBondContact O-N 3.27Å; L278-L280 PolarHBondContact O-N 2.83Å; L278-I281 PolarHBondContact O-N 3.03Å; L278-S282 WeakPolarHBondContact O-CB 3.43Å; L278-S282 PolarHBondContact O-N 2.87Å; L278-V292 HydrophobicContact CB-CG1 4.26Å; L278-V292 HydrophobicContact CD2-CG1 4Å; L278-V292 WeakPolarHBondContact O-CG1 3.42Å; L278-L295 HydrophobicContact CD1-CB 3.99Å; L278-A296 HydrophobicContact CB-CB 3.77Å; L278-F299 HydrophobicContact CD1-CD2 3.79Å; L278-F299 HydrophobicContact CD1-CE2 4.1Å |
| 279 | Y | 96.3 | Very high | 94.4 | Very high | 110 Ų | 110 | 68.2 Ų | 68.2 | 43% | 0.431 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 175.2 | 177.2 | -103.9 | 0 | 0 | 0 | 111.9 | A275 Y276 K277 S282 K283 | A275-Y279 WeakPolarHBondContact O-CB 3.33Å; A275-Y279 PolarHBondContact O-N 2.92Å; Y276-Y279 WeakPolarHBondContact O-CB 3.35Å; Y276-Y279 PolarHBondContact O-N 3.11Å; K277-Y279 VanDerWaalsContact C-N 3.3Å; K277-Y279 PolarHBondContact O-N 3.48Å; Y279-S282 PolarHBondContact O-N 2.94Å; Y279-S282 PolarHBondContact O-OG 3.23Å; Y279-K283 VanDerWaalsContact CZ-CE 3.5Å; Y279-K283 PolarHBondContact O-N 2.87Å; Y279-K283 VanDerWaalsContact OH-CE 3.3Å; Y279-K283 WeakPolarHBondContact OH-CE 3.36Å |
| 280 | L | 96.1 | Very high | 94.3 | Very high | 67 Ų | 67 | 70.6 Ų | 70.6 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61 | -47.8 | 175.5 | -70.1 | -177.5 | 0 | 0 | 0 | 111.7 | Y276 K277 L278 S282 K283 | Y276-L280 HydrophobicContact CD1-CD1 4.19Å; Y276-L280 HydrophobicContact CE1-CD1 3.53Å; Y276-L280 HydrophobicContact CE1-CG 4.16Å; Y276-L280 HydrophobicContact CE2-CD1 4.33Å; Y276-L280 HydrophobicContact CE2-CD2 4.15Å; Y276-L280 HydrophobicContact CE2-CG 4.13Å; Y276-L280 WeakPolarHBondContact O-CG 3.36Å; Y276-L280 PolarHBondContact O-N 3.26Å; K277-L280 PolarHBondContact O-N 2.62Å; L278-L280 PolarHBondContact O-N 2.83Å; L280-S282 PolarHBondContact O-N 3.28Å; L280-K283 WeakPolarHBondContact O-CB 3.2Å; L280-K283 PolarHBondContact O-N 2.91Å |
| 281 | I | 92.9 | Very high | 94.3 | Very high | 34 Ų | 34 | 69.5 Ų | 69.5 | 17% | 0.174 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.9 | -37.5 | 177.7 | -67.7 | 166.3 | 0 | 0 | 0 | 110.7 | C200 K277 L278 K283 E284 W286 C287 V292 | C200-I281 HydrophobicContact CB-CG2 4.37Å; K277-I281 VanDerWaalsContact O-CG1 3.3Å; K277-I281 WeakPolarHBondContact O-CG1 3.44Å; K277-I281 PolarHBondContact O-N 3.31Å; L278-I281 PolarHBondContact O-N 3.03Å; I281-K283 PolarHBondContact O-N 3.35Å; I281-K283 VanDerWaalsContact O-N 3.11Å; I281-E284 VanDerWaalsContact O-CB 3.31Å; I281-E284 WeakPolarHBondContact O-CB 3.35Å; I281-E284 PolarHBondContact O-N 3.5Å; I281-W286 HydrophobicContact CG2-CH2 3.78Å; I281-W286 HydrophobicContact CG2-CZ2 4.42Å; I281-W286 HydrophobicContact CG2-CZ3 4.27Å; I281-C287 HydrophobicContact CG2-CB 4.15Å; I281-C287 WeakPolarHBondContact O-CB 3.35Å; I281-V292 HydrophobicContact CB-CG1 4.45Å; I281-V292 HydrophobicContact CG2-CG1 4.23Å |
| 282 | S | 93.7 | Very high | 94.2 | Very high | 17 Ų | 17 | 68.9 Ų | 68.9 | 12% | 0.119 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -12.9 | 178 | 78.2 | 0 | 0 | 0 | 0 | 114.6 | L278 Y279 L280 T293 | L278-S282 WeakPolarHBondContact O-CB 3.43Å; L278-S282 PolarHBondContact O-N 2.87Å; Y279-S282 PolarHBondContact O-N 2.94Å; Y279-S282 PolarHBondContact O-OG 3.23Å; L280-S282 PolarHBondContact O-N 3.28Å; S282-T293 WeakPolarHBondContact CB-OG1 3.48Å |
| 283 | K | 93.9 | Very high | 94.1 | Very high | 136 Ų | 136 | 68.5 Ų | 68.5 | 59% | 0.591 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -9.8 | 175.1 | -62.2 | -56.4 | -178.7 | -175.6 | 0 | 113.1 | Y279 L280 I281 | Y279-K283 VanDerWaalsContact CZ-CE 3.5Å; Y279-K283 PolarHBondContact O-N 2.87Å; Y279-K283 VanDerWaalsContact OH-CE 3.3Å; Y279-K283 WeakPolarHBondContact OH-CE 3.36Å; L280-K283 WeakPolarHBondContact O-CB 3.2Å; L280-K283 PolarHBondContact O-N 2.91Å; I281-K283 PolarHBondContact O-N 3.35Å; I281-K283 VanDerWaalsContact O-N 3.11Å |
| 284 | E | 92.2 | Very high | 94.1 | Very high | 96 Ų | 96 | 64.1 Ų | 64.1 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -77.5 | 140.1 | 179.8 | -63.2 | -66.6 | 162.5 | 0 | 0 | 111.4 | I281 W286 C287 | I281-E284 VanDerWaalsContact O-CB 3.31Å; I281-E284 WeakPolarHBondContact O-CB 3.35Å; I281-E284 PolarHBondContact O-N 3.5Å; E284-W286 VanDerWaalsContact C-N 3.26Å; E284-W286 HydrophobicContact CB-CD2 4.17Å; E284-W286 HydrophobicContact CB-CG 4.27Å; E284-W286 HydrophobicContact CB-CZ2 4.01Å; E284-W286 VanDerWaalsContact CB-NE1 3.31Å; E284-W286 HydrophobicContact CG-CZ2 3.89Å; E284-W286 PolarHBondContact O-N 3.03Å; E284-C287 HydrophobicContact CB-CB 4.45Å; E284-C287 PolarHBondContact O-N 3.46Å |
| 285 | V | 89.9 | Confident | 94.1 | Very high | 144 Ų | 144 | 63.9 Ų | 63.9 | 87% | 0.873 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -32.1 | -176.9 | 178.8 | 0 | 0 | 0 | 0 | 112.4 | C287 | V285-C287 PolarHBondContact O-N 2.93Š|
| 286 | W | 87.1 | Confident | 94.1 | Very high | 96 Ų | 96 | 63.9 Ų | 63.9 | 36% | 0.364 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -1.8 | 177.4 | 55.6 | -93.1 | 0 | 0 | 0 | 113.1 | E199 C200 K203 I281 E284 P288 | E199-W286 HydrophobicContact CB-CE3 4.26Å; E199-W286 HydrophobicContact CB-CZ3 4.37Å; E199-W286 HydrophobicContact CG-CE3 4.29Å; E199-W286 HydrophobicContact CG-CZ3 4.24Å; C200-W286 HydrophobicContact CB-CZ3 4.2Å; C200-W286 VanDerWaalsContact SG-CZ3 3.57Å; K203-W286 HydrophobicContact CD-CH2 3.87Å; K203-W286 HydrophobicContact CD-CZ3 4.17Å; I281-W286 HydrophobicContact CG2-CH2 3.78Å; I281-W286 HydrophobicContact CG2-CZ2 4.42Å; I281-W286 HydrophobicContact CG2-CZ3 4.27Å; E284-W286 VanDerWaalsContact C-N 3.26Å; E284-W286 HydrophobicContact CB-CD2 4.17Å; E284-W286 HydrophobicContact CB-CG 4.27Å; E284-W286 HydrophobicContact CB-CZ2 4.01Å; E284-W286 VanDerWaalsContact CB-NE1 3.31Å; E284-W286 HydrophobicContact CG-CZ2 3.89Å; E284-W286 PolarHBondContact O-N 3.03Å; W286-P288 WeakPolarHBondContact O-CD 3.44Å |
| 287 | C | 89.2 | Confident | 94.1 | Very high | 6 Ų | 6 | 62.7 Ų | 62.7 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | trans | -124.4 | 71.8 | -177.3 | -156 | 0 | 0 | 0 | 0 | 114.5 | C200 I281 E284 V285 E289 V292 | C200-C287 HydrophobicContact CB-CB 4.28Å; C200-C287 WeakPolarHBondContact CB-SG 3.39Å; C200-C287 WeakPolarHBondContact SG-CA 3.36Å; C200-C287 WeakPolarHBondContact SG-CB 3.31Å; C200-C287 CovalentContact SG-SG 2.01Å; C200-C287 PolarHBondContact SG-SG 3.41Å; I281-C287 HydrophobicContact CG2-CB 4.15Å; I281-C287 WeakPolarHBondContact O-CB 3.35Å; E284-C287 HydrophobicContact CB-CB 4.45Å; E284-C287 PolarHBondContact O-N 3.46Å; V285-C287 PolarHBondContact O-N 2.93Å; C287-E289 PolarHBondContact O-N 2.86Å; C287-V292 VanDerWaalsContact SG-CG2 3.51Å | ||
| 288 | P | 87.9 | Confident | 94.1 | Very high | 117 Ų | 117 | 60.1 Ų | 60.1 | 76% | 0.76 | 30% | 0.301 | S | S | * | . | trans | -78.4 | -3.2 | -177.6 | 33.2 | -36.7 | 0 | 0 | 0 | 114.1 | W286 W290 | W286-P288 WeakPolarHBondContact O-CD 3.44Å; P288-W290 PolarHBondContact O-N 3.26Å | ||
| 289 | E | 92.8 | Very high | 94.2 | Very high | 32 Ų | 32 | 60.6 Ų | 60.6 | 15% | 0.15 | 30% | 0.303 | C | S | . | . | trans | -70.8 | 119.8 | -170.9 | -66.9 | 164.6 | 168.2 | 0 | 0 | 111.8 | W195 P196 C287 Q291 V292 | W195-E289 PolarHBondContact NE1-OE2 3.37Å; P196-E289 HydrophobicContact CG-CG 4.12Å; P196-E289 WeakPolarHBondContact CG-OE1 3.34Å; C287-E289 PolarHBondContact O-N 2.86Å; E289-Q291 PolarHBondContact O-N 2.95Å; E289-V292 HydrophobicContact CB-CG2 3.96Å; E289-V292 WeakPolarHBondContact O-CG2 3.4Å; E289-V292 PolarHBondContact O-N 2.93Å | ||
| 290 | W | 94.4 | Very high | 94.2 | Very high | 156 Ų | 156 | 60.6 Ų | 60.6 | 59% | 0.591 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -63.5 | -26.6 | -178.9 | 70.7 | -93 | 0 | 0 | 0 | 112.6 | I191 P288 V292 T293 A294 | I191-W290 HydrophobicContact CG1-CH2 4.35Å; I191-W290 HydrophobicContact CG1-CZ3 4.46Å; P288-W290 PolarHBondContact O-N 3.26Å; W290-V292 PolarHBondContact O-N 3.25Å; W290-T293 PolarHBondContact O-N 3.4Å; W290-A294 HydrophobicContact CE3-CB 3.89Å; W290-A294 HydrophobicContact CZ3-CB 3.83Å; W290-A294 PolarHBondContact O-N 3.27Å |
| 291 | Q | 96.1 | Very high | 94.2 | Very high | 17 Ų | 17 | 59 Ų | 59 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -54.7 | -40.1 | 177.7 | -66.7 | 88.4 | -23.3 | 0 | 0 | 111.1 | I191 T194 W195 E289 T293 A294 L295 | I191-Q291 HydrophobicContact CG2-CB 3.69Å; I191-Q291 HydrophobicContact CG2-CG 3.8Å; T194-Q291 PolarHBondContact O-NE2 3.4Å; W195-Q291 HydrophobicContact CB-CG 4.45Å; W195-Q291 HydrophobicContact CD2-CB 4.04Å; W195-Q291 HydrophobicContact CE3-CB 4.49Å; W195-Q291 HydrophobicContact CG-CB 4.06Å; W195-Q291 HydrophobicContact CG-CG 4.38Å; E289-Q291 PolarHBondContact O-N 2.95Å; Q291-T293 PolarHBondContact O-N 3.04Å; Q291-A294 PolarHBondContact O-N 3.31Å; Q291-L295 WeakPolarHBondContact O-CB 3.3Å; Q291-L295 WeakPolarHBondContact O-CG 3.41Å; Q291-L295 PolarHBondContact O-N 3.43Å |
| 292 | V | 95.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.3 | -46.2 | -178.5 | -166.4 | 0 | 0 | 0 | 0 | 110.4 | W195 C200 L278 I281 C287 E289 W290 A296 | W195-V292 HydrophobicContact CH2-CB 4.28Å; W195-V292 HydrophobicContact CH2-CG1 4.23Å; W195-V292 HydrophobicContact CH2-CG2 3.85Å; W195-V292 HydrophobicContact CZ2-CB 4.13Å; W195-V292 HydrophobicContact CZ2-CG1 4.37Å; W195-V292 HydrophobicContact CZ2-CG2 3.23Å; C200-V292 HydrophobicContact CB-CG2 4.25Å; L278-V292 HydrophobicContact CB-CG1 4.26Å; L278-V292 HydrophobicContact CD2-CG1 4Å; L278-V292 WeakPolarHBondContact O-CG1 3.42Å; I281-V292 HydrophobicContact CB-CG1 4.45Å; I281-V292 HydrophobicContact CG2-CG1 4.23Å; C287-V292 VanDerWaalsContact SG-CG2 3.51Å; E289-V292 HydrophobicContact CB-CG2 3.96Å; E289-V292 WeakPolarHBondContact O-CG2 3.4Å; E289-V292 PolarHBondContact O-N 2.93Å; W290-V292 PolarHBondContact O-N 3.25Å; V292-A296 WeakPolarHBondContact O-CB 3.49Å; V292-A296 PolarHBondContact O-N 2.91Å |
| 293 | T | 95.4 | Very high | 94.4 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 35% | 0.35 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.4 | -46.1 | 178.4 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | S282 W290 Q291 L295 A296 L297 | S282-T293 WeakPolarHBondContact CB-OG1 3.48Å; W290-T293 PolarHBondContact O-N 3.4Å; Q291-T293 PolarHBondContact O-N 3.04Å; T293-L295 PolarHBondContact O-N 3.43Å; T293-A296 PolarHBondContact O-N 3.31Å; T293-L297 HydrophobicContact CG2-CD1 4.35Å; T293-L297 WeakPolarHBondContact O-CG 3.46Å; T293-L297 PolarHBondContact O-N 2.86Å; T293-L297 VanDerWaalsContact O-N 3.09Å |
| 294 | A | 97.2 | Very high | 94.5 | Very high | 20 Ų | 20 | 53.1 Ų | 53.1 | 17% | 0.165 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.2 | -45 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | I191 W290 Q291 L297 I298 | I191-A294 HydrophobicContact CD1-CB 4.02Å; W290-A294 HydrophobicContact CE3-CB 3.89Å; W290-A294 HydrophobicContact CZ3-CB 3.83Å; W290-A294 PolarHBondContact O-N 3.27Å; Q291-A294 PolarHBondContact O-N 3.31Å; A294-L297 PolarHBondContact O-N 3.14Å; A294-I298 VanDerWaalsContact O-CG1 3.3Å; A294-I298 WeakPolarHBondContact O-CG1 3.26Å; A294-I298 PolarHBondContact O-N 3.38Å |
| 295 | L | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 176.6 | -69.7 | 170.1 | 0 | 0 | 0 | 111.6 | L188 I191 L192 W195 L278 Q291 T293 L297 I298 F299 | L188-L295 HydrophobicContact CD1-CD2 3.33Å; L188-L295 HydrophobicContact CG-CD2 3.81Å; I191-L295 HydrophobicContact CB-CD2 3.9Å; I191-L295 HydrophobicContact CB-CG 4.32Å; I191-L295 HydrophobicContact CG2-CD1 4.01Å; I191-L295 HydrophobicContact CG2-CD2 3.82Å; I191-L295 HydrophobicContact CG2-CG 3.66Å; L192-L295 HydrophobicContact CD2-CD1 3.78Å; L192-L295 HydrophobicContact CG-CD1 4.1Å; L192-L295 HydrophobicContact CG-CD2 4.01Å; W195-L295 HydrophobicContact CD2-CD1 4.29Å; W195-L295 HydrophobicContact CE3-CD1 3.16Å; W195-L295 HydrophobicContact CH2-CD1 4.13Å; W195-L295 HydrophobicContact CZ3-CD1 3.07Å; W195-L295 HydrophobicContact CZ3-CG 4.49Å; L278-L295 HydrophobicContact CD1-CB 3.99Å; Q291-L295 WeakPolarHBondContact O-CB 3.3Å; Q291-L295 WeakPolarHBondContact O-CG 3.41Å; Q291-L295 PolarHBondContact O-N 3.43Å; T293-L295 PolarHBondContact O-N 3.43Å; L295-L297 VanDerWaalsContact C-N 3.31Å; L295-L297 PolarHBondContact O-N 2.94Å; L295-I298 PolarHBondContact O-N 2.91Å; L295-F299 HydrophobicContact CB-CD2 4.24Å; L295-F299 HydrophobicContact CB-CE2 4.45Å; L295-F299 HydrophobicContact CD2-CE2 4.49Å; L295-F299 VanDerWaalsContact O-CB 3.3Å; L295-F299 WeakPolarHBondContact O-CB 3.47Å; L295-F299 VanDerWaalsContact O-CD2 3.24Å; L295-F299 WeakPolarHBondContact O-CD2 3.33Å; L295-F299 PolarHBondContact O-N 2.76Å |
| 296 | A | 97.2 | Very high | 94.7 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 3% | 0.025 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -55.7 | -47 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | L278 V292 T293 F300 | L278-A296 HydrophobicContact CB-CB 3.77Å; V292-A296 WeakPolarHBondContact O-CB 3.49Å; V292-A296 PolarHBondContact O-N 2.91Å; T293-A296 PolarHBondContact O-N 3.31Å; A296-F300 WeakPolarHBondContact O-CB 3.45Å; A296-F300 PolarHBondContact O-N 3.44Å |
| 297 | L | 97.9 | Very high | 95 | Very high | 110 Ų | 110 | 41.1 Ų | 41.1 | 58% | 0.576 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -66.5 | -43.8 | 179.6 | -67.1 | 175.4 | 0 | 0 | 0 | 112.6 | T293 A294 L295 F300 G301 | T293-L297 HydrophobicContact CG2-CD1 4.35Å; T293-L297 WeakPolarHBondContact O-CG 3.46Å; T293-L297 PolarHBondContact O-N 2.86Å; T293-L297 VanDerWaalsContact O-N 3.09Å; A294-L297 PolarHBondContact O-N 3.14Å; L295-L297 VanDerWaalsContact C-N 3.31Å; L295-L297 PolarHBondContact O-N 2.94Å; L297-F300 PolarHBondContact O-N 3.09Å; L297-G301 PolarHBondContact O-N 2.68Å |
| 298 | I | 97.7 | Very high | 95.1 | Very high | 41 Ų | 41 | 46.1 Ų | 46.1 | 21% | 0.21 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.4 | -46.2 | -179.4 | -63.5 | 167.2 | 0 | 0 | 0 | 110.6 | A184 V187 L188 I191 A294 L295 F300 G301 V302 | A184-I298 HydrophobicContact CB-CG2 4.26Å; V187-I298 HydrophobicContact CG1-CD1 3.92Å; L188-I298 HydrophobicContact CB-CG2 4.36Å; L188-I298 HydrophobicContact CD1-CB 3.94Å; L188-I298 HydrophobicContact CD1-CG2 3.74Å; I191-I298 HydrophobicContact CD1-CD1 3.54Å; A294-I298 VanDerWaalsContact O-CG1 3.3Å; A294-I298 WeakPolarHBondContact O-CG1 3.26Å; A294-I298 PolarHBondContact O-N 3.38Å; L295-I298 PolarHBondContact O-N 2.91Å; I298-F300 VanDerWaalsContact C-N 3.27Å; I298-F300 PolarHBondContact O-N 3.07Å; I298-G301 PolarHBondContact O-N 3.29Å; I298-V302 HydrophobicContact CG2-CG2 4.38Å; I298-V302 WeakPolarHBondContact O-CG2 3.38Å; I298-V302 PolarHBondContact O-N 2.91Å |
| 299 | F | 97.2 | Very high | 95.2 | Very high | 13 Ų | 13 | 41.7 Ų | 41.7 | 6% | 0.057 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.3 | -41.6 | 175.6 | -87.7 | -64.2 | 0 | 0 | 0 | 111.4 | L188 L208 L211 Q271 I274 A275 L278 L295 A303 | L188-F299 HydrophobicContact CD1-CD1 4.42Å; L188-F299 HydrophobicContact CD1-CD2 3.72Å; L188-F299 HydrophobicContact CD1-CE1 4.43Å; L188-F299 HydrophobicContact CD1-CE2 3.69Å; L188-F299 HydrophobicContact CD1-CG 4.1Å; L188-F299 HydrophobicContact CD1-CZ 4.08Å; L188-F299 HydrophobicContact CD2-CD1 4.09Å; L188-F299 HydrophobicContact CD2-CE1 3.56Å; L188-F299 HydrophobicContact CD2-CE2 4.03Å; L188-F299 HydrophobicContact CD2-CZ 3.52Å; L188-F299 HydrophobicContact CG-CE2 4.13Å; L188-F299 HydrophobicContact CG-CZ 4.1Å; L208-F299 HydrophobicContact CD2-CD2 4.43Å; L208-F299 HydrophobicContact CD2-CE2 3.38Å; L208-F299 HydrophobicContact CD2-CZ 3.47Å; L208-F299 VanDerWaalsContact CD2-CZ 3.47Å; L211-F299 HydrophobicContact CD2-CD1 4.21Å; L211-F299 HydrophobicContact CD2-CE1 3.51Å; L211-F299 HydrophobicContact CD2-CZ 4.08Å; Q271-F299 HydrophobicContact CG-CD1 3.7Å; Q271-F299 HydrophobicContact CG-CE1 4.4Å; Q271-F299 PolarHBondContact NE2-O 3.2Å; I274-F299 HydrophobicContact CG2-CD2 4.47Å; I274-F299 HydrophobicContact CG2-CE2 4.48Å; A275-F299 HydrophobicContact CB-CB 3.74Å; L278-F299 HydrophobicContact CD1-CD2 3.79Å; L278-F299 HydrophobicContact CD1-CE2 4.1Å; L295-F299 HydrophobicContact CB-CD2 4.24Å; L295-F299 HydrophobicContact CB-CE2 4.45Å; L295-F299 HydrophobicContact CD2-CE2 4.49Å; L295-F299 VanDerWaalsContact O-CB 3.3Å; L295-F299 WeakPolarHBondContact O-CB 3.47Å; L295-F299 VanDerWaalsContact O-CD2 3.24Å; L295-F299 WeakPolarHBondContact O-CD2 3.33Å; L295-F299 PolarHBondContact O-N 2.76Å; F299-A303 VanDerWaalsContact O-CB 3.29Å; F299-A303 WeakPolarHBondContact O-CB 3.34Å; F299-A303 PolarHBondContact O-N 2.93Å |
| 300 | F | 97.9 | Very high | 95 | Very high | 110 Ų | 110 | 40.6 Ų | 40.6 | 48% | 0.482 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62 | -50.7 | 176.4 | 176.6 | -99.2 | 0 | 0 | 0 | 111.1 | L272 A275 A296 L297 I298 V302 A303 V304 | L272-F300 HydrophobicContact CD1-CD2 3.55Å; L272-F300 HydrophobicContact CD1-CE2 3.83Å; A275-F300 HydrophobicContact CB-CB 3.89Å; A296-F300 WeakPolarHBondContact O-CB 3.45Å; A296-F300 PolarHBondContact O-N 3.44Å; L297-F300 PolarHBondContact O-N 3.09Å; I298-F300 VanDerWaalsContact C-N 3.27Å; I298-F300 PolarHBondContact O-N 3.07Å; F300-V302 VanDerWaalsContact C-N 3.34Å; F300-V302 PolarHBondContact O-N 3.39Å; F300-A303 PolarHBondContact O-N 3.35Å; F300-V304 HydrophobicContact CD1-CG2 4.31Å; F300-V304 HydrophobicContact CD2-CG2 4.25Å; F300-V304 HydrophobicContact CE1-CG2 3.94Å; F300-V304 HydrophobicContact CE2-CG2 3.86Å; F300-V304 HydrophobicContact CG-CG2 4.46Å; F300-V304 HydrophobicContact CZ-CG2 3.69Å; F300-V304 WeakPolarHBondContact O-CB 3.33Å; F300-V304 WeakPolarHBondContact O-CG2 3.26Å; F300-V304 PolarHBondContact O-N 2.87Å |
| 301 | G | 96 | Very high | 94.8 | Very high | 34 Ų | 34 | 35.2 Ų | 35.2 | 35% | 0.351 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.7 | -44.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L297 I298 G305 | L297-G301 PolarHBondContact O-N 2.68Å; I298-G301 PolarHBondContact O-N 3.29Å; G301-G305 PolarHBondContact O-N 3.36Å |
| 302 | V | 95.6 | Very high | 94.4 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.1 | -42.8 | 177.3 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | W177 H181 A184 Q271 I298 F300 V304 G305 N306 | W177-V302 WeakPolarHBondContact CZ2-O 3.11Å; H181-V302 HydrophobicContact CB-CG1 4.34Å; A184-V302 HydrophobicContact CB-CG2 3.79Å; Q271-V302 VanDerWaalsContact NE2-CB 3.27Å; I298-V302 HydrophobicContact CG2-CG2 4.38Å; I298-V302 WeakPolarHBondContact O-CG2 3.38Å; I298-V302 PolarHBondContact O-N 2.91Å; F300-V302 VanDerWaalsContact C-N 3.34Å; F300-V302 PolarHBondContact O-N 3.39Å; V302-V304 PolarHBondContact O-N 2.64Å; V302-G305 PolarHBondContact O-N 3.24Å; V302-N306 VanDerWaalsContact O-CB 3.23Å; V302-N306 WeakPolarHBondContact O-CB 3.26Å; V302-N306 VanDerWaalsContact O-CG 3.25Å; V302-N306 PolarHBondContact O-N 3.42Å; V302-N306 PolarHBondContact O-ND2 3.45Å |
| 303 | A | 94.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q271 L272 F299 F300 T307 | Q271-A303 HydrophobicContact CB-CB 4.23Å; Q271-A303 HydrophobicContact CG-CB 4.06Å; L272-A303 HydrophobicContact CB-CB 4.11Å; L272-A303 HydrophobicContact CD1-CB 4.47Å; F299-A303 VanDerWaalsContact O-CB 3.29Å; F299-A303 WeakPolarHBondContact O-CB 3.34Å; F299-A303 PolarHBondContact O-N 2.93Å; F300-A303 PolarHBondContact O-N 3.35Å; A303-T307 WeakPolarHBondContact O-CB 2.89Å; A303-T307 PolarHBondContact O-N 2.69Å; A303-T307 PolarHBondContact O-OG1 3.29Å |
| 304 | V | 95.4 | Very high | 93.4 | Very high | 51 Ų | 51 | 38.3 Ų | 38.3 | 31% | 0.309 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.1 | -49.4 | 177.1 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | F300 V302 N306 T307 L308 | F300-V304 HydrophobicContact CD1-CG2 4.31Å; F300-V304 HydrophobicContact CD2-CG2 4.25Å; F300-V304 HydrophobicContact CE1-CG2 3.94Å; F300-V304 HydrophobicContact CE2-CG2 3.86Å; F300-V304 HydrophobicContact CG-CG2 4.46Å; F300-V304 HydrophobicContact CZ-CG2 3.69Å; F300-V304 WeakPolarHBondContact O-CB 3.33Å; F300-V304 WeakPolarHBondContact O-CG2 3.26Å; F300-V304 PolarHBondContact O-N 2.87Å; V302-V304 PolarHBondContact O-N 2.64Å; V304-N306 PolarHBondContact O-N 3.23Å; V304-T307 WeakPolarHBondContact O-CB 3.4Å; V304-T307 PolarHBondContact O-N 2.76Å; V304-T307 VanDerWaalsContact O-N 3.17Å; V304-L308 HydrophobicContact CG1-CD1 3.76Å; V304-L308 HydrophobicContact CG1-CG 4.16Å; V304-L308 WeakPolarHBondContact O-CB 3.48Å; V304-L308 WeakPolarHBondContact O-CG 3.49Å; V304-L308 PolarHBondContact O-N 3.02Å |
| 305 | G | 93.4 | Very high | 92.9 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 9% | 0.093 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.5 | -37.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | W177 G301 V302 T307 L308 T309 | W177-G305 VanDerWaalsContact CE2-C 3.41Å; W177-G305 VanDerWaalsContact CH2-CA 3.46Å; G301-G305 PolarHBondContact O-N 3.36Å; V302-G305 PolarHBondContact O-N 3.24Å; G305-T307 VanDerWaalsContact C-N 3.32Å; G305-T307 PolarHBondContact O-N 3.43Å; G305-L308 PolarHBondContact O-N 2.81Å; G305-T309 WeakPolarHBondContact O-CB 3.47Å; G305-T309 WeakPolarHBondContact O-CG2 3.44Å; G305-T309 PolarHBondContact O-N 2.95Å; G305-T309 PolarHBondContact O-OG1 2.01Å |
| 306 | N | 93 | Very high | 92.3 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.043 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 171.7 | -79.8 | -12 | 0 | 0 | 0 | 112 | W177 Y268 V302 V304 T309 T310 | W177-N306 PolarHBondContact NE1-OD1 3.14Å; Y268-N306 HydrophobicContact CD1-CB 3.95Å; Y268-N306 HydrophobicContact CD2-CB 4.24Å; Y268-N306 HydrophobicContact CE1-CB 3.68Å; Y268-N306 HydrophobicContact CE2-CB 3.95Å; Y268-N306 WeakPolarHBondContact CE2-O 3.35Å; Y268-N306 HydrophobicContact CG-CB 4.23Å; V302-N306 VanDerWaalsContact O-CB 3.23Å; V302-N306 WeakPolarHBondContact O-CB 3.26Å; V302-N306 VanDerWaalsContact O-CG 3.25Å; V302-N306 PolarHBondContact O-N 3.42Å; V302-N306 PolarHBondContact O-ND2 3.45Å; V304-N306 PolarHBondContact O-N 3.23Å; N306-T309 PolarHBondContact O-OG1 3.3Å; N306-T309 VanDerWaalsContact O-OG1 3.06Å; N306-T310 WeakPolarHBondContact O-CB 3.39Å; N306-T310 PolarHBondContact O-N 3.46Å; N306-T310 VanDerWaalsContact O-N 3.14Å; N306-T310 PolarHBondContact O-OG1 2.9Å |
| 307 | T | 92.5 | Very high | 91.5 | Very high | 68 Ų | 68 | 49.6 Ų | 49.6 | 42% | 0.417 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.7 | -48.5 | 176.9 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | A303 V304 G305 T309 T310 A311 | A303-T307 WeakPolarHBondContact O-CB 2.89Å; A303-T307 PolarHBondContact O-N 2.69Å; A303-T307 PolarHBondContact O-OG1 3.29Å; V304-T307 WeakPolarHBondContact O-CB 3.4Å; V304-T307 PolarHBondContact O-N 2.76Å; V304-T307 VanDerWaalsContact O-N 3.17Å; G305-T307 VanDerWaalsContact C-N 3.32Å; G305-T307 PolarHBondContact O-N 3.43Å; T307-T309 PolarHBondContact O-N 3.21Å; T307-T310 PolarHBondContact O-N 3.5Å; T307-A311 VanDerWaalsContact O-CB 3.28Å; T307-A311 WeakPolarHBondContact O-CB 3.27Å; T307-A311 PolarHBondContact O-N 2.91Å |
| 308 | L | 92.8 | Very high | 90.9 | Very high | 111 Ų | 111 | 48 Ų | 48 | 58% | 0.581 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -63 | -43.1 | -180 | -71.1 | 176.6 | 0 | 0 | 0 | 112.1 | V304 G305 A311 Q312 | V304-L308 HydrophobicContact CG1-CD1 3.76Å; V304-L308 HydrophobicContact CG1-CG 4.16Å; V304-L308 WeakPolarHBondContact O-CB 3.48Å; V304-L308 WeakPolarHBondContact O-CG 3.49Å; V304-L308 PolarHBondContact O-N 3.02Å; G305-L308 PolarHBondContact O-N 2.81Å; L308-A311 PolarHBondContact O-N 3.22Å; L308-Q312 WeakPolarHBondContact O-CB 3.21Å; L308-Q312 PolarHBondContact O-N 3.37Å |
| 309 | T | 89.7 | Confident | 90.2 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 15% | 0.147 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 178.2 | 51 | 0 | 0 | 0 | 0 | 112.2 | W177 G305 N306 T307 V313 | W177-T309 HydrophobicContact CB-CG2 3.84Å; W177-T309 HydrophobicContact CD2-CG2 4.24Å; W177-T309 HydrophobicContact CG-CG2 3.54Å; G305-T309 WeakPolarHBondContact O-CB 3.47Å; G305-T309 WeakPolarHBondContact O-CG2 3.44Å; G305-T309 PolarHBondContact O-N 2.95Å; G305-T309 PolarHBondContact O-OG1 2.01Å; N306-T309 PolarHBondContact O-OG1 3.3Å; N306-T309 VanDerWaalsContact O-OG1 3.06Å; T307-T309 PolarHBondContact O-N 3.21Å; T309-V313 WeakPolarHBondContact O-CG2 3.37Å; T309-V313 PolarHBondContact O-N 3.02Å; T309-V313 VanDerWaalsContact O-N 3.13Å |
| 310 | T | 88.8 | Confident | 89.4 | Confident | 8 Ų | 8 | 56.9 Ų | 56.9 | 5% | 0.049 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 173.9 | -67.4 | 0 | 0 | 0 | 0 | 111.4 | F249 L261 Y268 N306 T307 Q312 V313 C314 | F249-T310 HydrophobicContact CB-CG2 3.93Å; F249-T310 HydrophobicContact CG-CG2 4.32Å; L261-T310 HydrophobicContact CD1-CG2 3.59Å; Y268-T310 PolarHBondContact OH-OG1 3.4Å; N306-T310 WeakPolarHBondContact O-CB 3.39Å; N306-T310 PolarHBondContact O-N 3.46Å; N306-T310 VanDerWaalsContact O-N 3.14Å; N306-T310 PolarHBondContact O-OG1 2.9Å; T307-T310 PolarHBondContact O-N 3.5Å; T310-Q312 PolarHBondContact O-N 3.49Å; T310-V313 PolarHBondContact O-N 2.88Å; T310-V313 VanDerWaalsContact O-N 3.17Å; T310-C314 PolarHBondContact O-N 2.95Å; T310-C314 PolarHBondContact O-SG 3.09Å; T310-C314 VanDerWaalsContact O-SG 3.36Å |
| 311 | A | 89.4 | Confident | 88.7 | Confident | 43 Ų | 43 | 57.8 Ų | 57.8 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T307 L308 V313 C314 L315 | T307-A311 VanDerWaalsContact O-CB 3.28Å; T307-A311 WeakPolarHBondContact O-CB 3.27Å; T307-A311 PolarHBondContact O-N 2.91Å; L308-A311 PolarHBondContact O-N 3.22Å; A311-V313 VanDerWaalsContact C-N 3.28Å; A311-V313 PolarHBondContact O-N 3.06Å; A311-C314 WeakPolarHBondContact O-CB 3.25Å; A311-C314 PolarHBondContact O-N 3.44Å; A311-C314 VanDerWaalsContact O-N 3.13Å; A311-L315 VanDerWaalsContact O-CG 3.31Å; A311-L315 WeakPolarHBondContact O-CG 2.93Å; A311-L315 PolarHBondContact O-N 2.52Å |
| 312 | Q | 88.2 | Confident | 88.1 | Confident | 104 Ų | 104 | 60.6 Ų | 60.6 | 49% | 0.486 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.2 | -42.7 | 175.6 | -173.9 | -172.6 | 9.1 | 0 | 0 | 111.5 | L308 T310 L315 Q316 | L308-Q312 WeakPolarHBondContact O-CB 3.21Å; L308-Q312 PolarHBondContact O-N 3.37Å; T310-Q312 PolarHBondContact O-N 3.49Å; Q312-L315 PolarHBondContact O-N 3.3Å; Q312-Q316 WeakPolarHBondContact O-CB 3.44Å; Q312-Q316 VanDerWaalsContact O-CG 3.29Å; Q312-Q316 WeakPolarHBondContact O-CG 3.22Å; Q312-Q316 PolarHBondContact O-N 2.99Å |
| 313 | V | 84.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.7 | -38.8 | 178.2 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | F249 H250 F254 T309 T310 A311 K317 | F249-V313 HydrophobicContact CD1-CB 4.32Å; F249-V313 HydrophobicContact CD1-CG1 3.55Å; F249-V313 HydrophobicContact CE1-CG1 3.86Å; H250-V313 VanDerWaalsContact C-CG1 3.49Å; F254-V313 HydrophobicContact CE2-CG1 3.85Å; F254-V313 HydrophobicContact CZ-CG1 4.33Å; T309-V313 WeakPolarHBondContact O-CG2 3.37Å; T309-V313 PolarHBondContact O-N 3.02Å; T309-V313 VanDerWaalsContact O-N 3.13Å; T310-V313 PolarHBondContact O-N 2.88Å; T310-V313 VanDerWaalsContact O-N 3.17Å; A311-V313 VanDerWaalsContact C-N 3.28Å; A311-V313 PolarHBondContact O-N 3.06Å; V313-K317 PolarHBondContact O-N 2.89Å |
| 314 | C | 85.3 | Confident | 87 | Confident | 35 Ų | 35 | 69 Ų | 69 | 24% | 0.236 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 172.9 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | T310 A311 Q316 K317 V318 | T310-C314 PolarHBondContact O-N 2.95Å; T310-C314 PolarHBondContact O-SG 3.09Å; T310-C314 VanDerWaalsContact O-SG 3.36Å; A311-C314 WeakPolarHBondContact O-CB 3.25Å; A311-C314 PolarHBondContact O-N 3.44Å; A311-C314 VanDerWaalsContact O-N 3.13Å; C314-Q316 PolarHBondContact O-N 3.32Å; C314-K317 WeakPolarHBondContact O-CB 2.83Å; C314-K317 PolarHBondContact O-N 3.36Å; C314-V318 PolarHBondContact O-N 3.1Å |
| 315 | L | 86.7 | Confident | 86.7 | Confident | 107 Ų | 107 | 72.2 Ų | 72.2 | 56% | 0.56 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.5 | -46.1 | 177.9 | -68.8 | 174.1 | 0 | 0 | 0 | 112 | A311 Q312 K317 V318 Q319 | A311-L315 VanDerWaalsContact O-CG 3.31Å; A311-L315 WeakPolarHBondContact O-CG 2.93Å; A311-L315 PolarHBondContact O-N 2.52Å; Q312-L315 PolarHBondContact O-N 3.3Å; L315-K317 PolarHBondContact O-N 2.71Å; L315-K317 VanDerWaalsContact O-N 3.15Å; L315-V318 PolarHBondContact O-N 2.84Å; L315-V318 VanDerWaalsContact O-N 3.11Å; L315-Q319 WeakPolarHBondContact O-CG 3.46Å; L315-Q319 PolarHBondContact O-N 3.19Å |
| 316 | Q | 83.9 | Confident | 86.4 | Confident | 64 Ų | 64 | 80.2 Ų | 80.2 | 30% | 0.299 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.5 | -27.3 | 175.7 | -76.1 | 179.3 | -0.2 | 0 | 0 | 113.1 | Q312 C314 R320 | Q312-Q316 WeakPolarHBondContact O-CB 3.44Å; Q312-Q316 VanDerWaalsContact O-CG 3.29Å; Q312-Q316 WeakPolarHBondContact O-CG 3.22Å; Q312-Q316 PolarHBondContact O-N 2.99Å; C314-Q316 PolarHBondContact O-N 3.32Å; Q316-R320 WeakPolarHBondContact O-CB 3.32Å; Q316-R320 WeakPolarHBondContact O-CG 3.33Å; Q316-R320 PolarHBondContact O-N 3.14Å; Q316-R320 PolarHBondContact O-NE 3.35Å; Q316-R320 VanDerWaalsContact O-NE 3.16Å |
| 317 | K | 81.8 | Confident | 86.1 | Confident | 89 Ų | 89 | 84.9 Ų | 84.9 | 39% | 0.387 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -77.9 | -41.7 | 176.3 | 178.2 | 62.4 | 176.9 | 177.5 | 0 | 111.5 | F254 V313 C314 L315 R320 K321 | F254-K317 HydrophobicContact CB-CD 4.43Å; F254-K317 HydrophobicContact CD1-CG 4.12Å; F254-K317 HydrophobicContact CD2-CB 3.84Å; F254-K317 HydrophobicContact CD2-CD 3.73Å; F254-K317 HydrophobicContact CD2-CG 3.61Å; F254-K317 HydrophobicContact CE1-CB 4.37Å; F254-K317 HydrophobicContact CE1-CG 4.11Å; F254-K317 HydrophobicContact CE2-CB 3.35Å; F254-K317 HydrophobicContact CE2-CD 4.17Å; F254-K317 HydrophobicContact CE2-CG 3.61Å; F254-K317 HydrophobicContact CG-CD 4.06Å; F254-K317 HydrophobicContact CG-CG 3.9Å; F254-K317 HydrophobicContact CZ-CB 3.68Å; F254-K317 HydrophobicContact CZ-CG 3.89Å; V313-K317 PolarHBondContact O-N 2.89Å; C314-K317 WeakPolarHBondContact O-CB 2.83Å; C314-K317 PolarHBondContact O-N 3.36Å; L315-K317 PolarHBondContact O-N 2.71Å; L315-K317 VanDerWaalsContact O-N 3.15Å; K317-R320 PolarHBondContact O-N 3.11Å; K317-K321 WeakPolarHBondContact O-CB 3.23Å; K317-K321 PolarHBondContact O-N 3.41Å |
| 318 | V | 83.7 | Confident | 85.8 | Confident | 77 Ų | 77 | 88.1 Ų | 88.1 | 47% | 0.467 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.2 | -49.7 | 175.3 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | C314 L315 R320 K321 E322 | C314-V318 PolarHBondContact O-N 3.1Å; L315-V318 PolarHBondContact O-N 2.84Å; L315-V318 VanDerWaalsContact O-N 3.11Å; V318-R320 PolarHBondContact O-N 3.44Å; V318-K321 WeakPolarHBondContact O-CB 3.47Å; V318-K321 PolarHBondContact O-N 2.61Å; V318-E322 HydrophobicContact CG1-CG 4.47Å; V318-E322 WeakPolarHBondContact O-CG 3.31Å; V318-E322 PolarHBondContact O-N 3.43Å |
| 319 | Q | 84.1 | Confident | 85.7 | Confident | 120 Ų | 120 | 90.4 Ų | 90.4 | 56% | 0.561 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -56.6 | -47.7 | 177.7 | -70.2 | 172.3 | -11.6 | 0 | 0 | 112.3 | L315 K321 E322 E323 | L315-Q319 WeakPolarHBondContact O-CG 3.46Å; L315-Q319 PolarHBondContact O-N 3.19Å; Q319-K321 VanDerWaalsContact C-N 3.3Å; Q319-K321 PolarHBondContact O-N 3.4Å; Q319-E322 PolarHBondContact O-N 3.21Å; Q319-E323 WeakPolarHBondContact O-CB 3.43Å; Q319-E323 PolarHBondContact O-N 3Å |
| 320 | R | 80.6 | Confident | 85.5 | Confident | 119 Ų | 119 | 95.7 Ų | 95.7 | 45% | 0.449 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.1 | -33.7 | 176.4 | -81.5 | -175.3 | -88.6 | -170.2 | -12.9 | 113.3 | S251 Q316 K317 V318 S324 | S251-R320 VanDerWaalsContact CB-NH2 3.28Å; S251-R320 PolarHBondContact OG-NH2 3.02Å; Q316-R320 WeakPolarHBondContact O-CB 3.32Å; Q316-R320 WeakPolarHBondContact O-CG 3.33Å; Q316-R320 PolarHBondContact O-N 3.14Å; Q316-R320 PolarHBondContact O-NE 3.35Å; Q316-R320 VanDerWaalsContact O-NE 3.16Å; K317-R320 PolarHBondContact O-N 3.11Å; V318-R320 PolarHBondContact O-N 3.44Å; R320-S324 VanDerWaalsContact O-CB 3.31Å; R320-S324 WeakPolarHBondContact O-CB 3.18Å; R320-S324 PolarHBondContact O-N 3.47Å |
| 321 | K | 82.9 | Confident | 85.2 | Confident | 130 Ų | 130 | 102.2 Ų | 102.2 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -70.6 | -40.3 | 176.5 | -169.5 | 179.3 | -177.3 | -178.3 | 0 | 110.8 | K317 V318 Q319 K325 | K317-K321 WeakPolarHBondContact O-CB 3.23Å; K317-K321 PolarHBondContact O-N 3.41Å; V318-K321 WeakPolarHBondContact O-CB 3.47Å; V318-K321 PolarHBondContact O-N 2.61Å; Q319-K321 VanDerWaalsContact C-N 3.3Å; Q319-K321 PolarHBondContact O-N 3.4Å; K321-K325 WeakPolarHBondContact O-CG 3.46Å; K321-K325 PolarHBondContact O-N 3.08Å |
| 322 | E | 84 | Confident | 85 | Confident | 92 Ų | 92 | 105.2 Ų | 105.2 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 175.4 | -71.5 | 177 | -179.4 | 0 | 0 | 112 | V318 Q319 K325 R326 | V318-E322 HydrophobicContact CG1-CG 4.47Å; V318-E322 WeakPolarHBondContact O-CG 3.31Å; V318-E322 PolarHBondContact O-N 3.43Å; Q319-E322 PolarHBondContact O-N 3.21Å; E322-K325 WeakPolarHBondContact O-CB 3.45Å; E322-K325 PolarHBondContact O-N 3.36Å; E322-R326 WeakPolarHBondContact O-CG 3.41Å; E322-R326 PolarHBondContact O-N 3.37Å |
| 323 | E | 83.8 | Confident | 84.8 | Confident | 117 Ų | 117 | 103.3 Ų | 103.3 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 176.1 | -174.5 | 175.4 | -156.3 | 0 | 0 | 111.4 | Q319 K325 R326 L327 | Q319-E323 WeakPolarHBondContact O-CB 3.43Å; Q319-E323 PolarHBondContact O-N 3Å; E323-K325 VanDerWaalsContact C-N 3.3Å; E323-K325 PolarHBondContact O-N 3.3Å; E323-R326 PolarHBondContact O-N 3.24Å; E323-R326 VanDerWaalsContact O-N 3.13Å; E323-L327 HydrophobicContact CG-CD1 4.23Å; E323-L327 WeakPolarHBondContact O-CG 3.42Å; E323-L327 PolarHBondContact O-N 2.95Å |
| 324 | S | 83.3 | Confident | 84.8 | Confident | 72 Ų | 72 | 106.6 Ų | 106.6 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 174.7 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | R320 Q328 | R320-S324 VanDerWaalsContact O-CB 3.31Å; R320-S324 WeakPolarHBondContact O-CB 3.18Å; R320-S324 PolarHBondContact O-N 3.47Å; S324-Q328 WeakPolarHBondContact O-CB 3.29Å; S324-Q328 PolarHBondContact O-N 3.35Å |
| 325 | K | 88.4 | Confident | 84.6 | Confident | 118 Ų | 118 | 108.6 Ų | 108.6 | 51% | 0.513 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 174.9 | -76.1 | 177.9 | 175.3 | -170.6 | 0 | 112.1 | K321 E322 E323 Q328 K329 | K321-K325 WeakPolarHBondContact O-CG 3.46Å; K321-K325 PolarHBondContact O-N 3.08Å; E322-K325 WeakPolarHBondContact O-CB 3.45Å; E322-K325 PolarHBondContact O-N 3.36Å; E323-K325 VanDerWaalsContact C-N 3.3Å; E323-K325 PolarHBondContact O-N 3.3Å; K325-Q328 PolarHBondContact O-N 3.3Å; K325-K329 WeakPolarHBondContact O-CG 3.35Å; K325-K329 PolarHBondContact O-N 2.92Å |
| 326 | R | 87 | Confident | 84.4 | Confident | 178 Ų | 178 | 108.9 Ų | 108.9 | 67% | 0.672 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.7 | -45.1 | 177 | -72.5 | 175.5 | -173.9 | -169 | 3.3 | 111.2 | E322 E323 K329 K330 | E322-R326 WeakPolarHBondContact O-CG 3.41Å; E322-R326 PolarHBondContact O-N 3.37Å; E323-R326 PolarHBondContact O-N 3.24Å; E323-R326 VanDerWaalsContact O-N 3.13Å; R326-K329 PolarHBondContact O-N 3.34Å; R326-K330 WeakPolarHBondContact O-CB 3.42Å; R326-K330 PolarHBondContact O-N 2.73Å |
| 327 | L | 87.6 | Confident | 84.2 | Confident | 106 Ų | 106 | 109.8 Ų | 109.8 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.2 | -42.1 | 176.3 | -71.1 | 173 | 0 | 0 | 0 | 111.7 | E323 K330 Y331 | E323-L327 HydrophobicContact CG-CD1 4.23Å; E323-L327 WeakPolarHBondContact O-CG 3.42Å; E323-L327 PolarHBondContact O-N 2.95Å; L327-K330 PolarHBondContact O-N 3.36Å; L327-Y331 WeakPolarHBondContact O-CB 3.35Å; L327-Y331 PolarHBondContact O-N 3.39Å |
| 328 | Q | 86.3 | Confident | 83.9 | Confident | 136 Ų | 136 | 111.8 Ų | 111.8 | 64% | 0.636 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.1 | -42.3 | 176.5 | -171.3 | 178 | 1.7 | 0 | 0 | 112.1 | S324 K325 Y331 H332 | S324-Q328 WeakPolarHBondContact O-CB 3.29Å; S324-Q328 PolarHBondContact O-N 3.35Å; K325-Q328 PolarHBondContact O-N 3.3Å; Q328-Y331 PolarHBondContact O-N 3.39Å; Q328-H332 WeakPolarHBondContact O-CB 3.37Å; Q328-H332 PolarHBondContact O-N 2.96Å |
| 329 | K | 89.1 | Confident | 83.1 | Confident | 159 Ų | 159 | 117 Ų | 117 | 69% | 0.691 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62 | -44.5 | 173.9 | -74.1 | -178.1 | 179.5 | -169.2 | 0 | 111.8 | K325 R326 H332 S333 | K325-K329 WeakPolarHBondContact O-CG 3.35Å; K325-K329 PolarHBondContact O-N 2.92Å; R326-K329 PolarHBondContact O-N 3.34Å; K329-H332 PolarHBondContact O-N 2.96Å; K329-S333 PolarHBondContact O-N 3.36Å; K329-S333 PolarHBondContact O-OG 3.32Å |
| 330 | K | 86.3 | Confident | 82.1 | Confident | 135 Ų | 135 | 116.5 Ų | 116.5 | 59% | 0.587 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.6 | -45.6 | 177.4 | -170.8 | 179.6 | -179.5 | -178 | 0 | 111.5 | R326 L327 H332 S333 I334 | R326-K330 WeakPolarHBondContact O-CB 3.42Å; R326-K330 PolarHBondContact O-N 2.73Å; L327-K330 PolarHBondContact O-N 3.36Å; K330-H332 VanDerWaalsContact C-N 3.35Å; K330-H332 PolarHBondContact O-N 3.46Å; K330-S333 WeakPolarHBondContact CA-OG 3.29Å; K330-S333 PolarHBondContact O-N 3.06Å; K330-S333 PolarHBondContact O-OG 3.15Å; K330-I334 HydrophobicContact CG-CD1 4.1Å; K330-I334 WeakPolarHBondContact O-CG1 3.45Å; K330-I334 PolarHBondContact O-N 3.03Å |
| 331 | Y | 83 | Confident | 81.2 | Confident | 144 Ų | 144 | 123.2 Ų | 123.2 | 57% | 0.565 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.6 | -44.4 | 176.2 | -176.2 | -95.8 | 0 | 0 | 0 | 111.7 | L327 Q328 S333 I334 M335 | L327-Y331 WeakPolarHBondContact O-CB 3.35Å; L327-Y331 PolarHBondContact O-N 3.39Å; Q328-Y331 PolarHBondContact O-N 3.39Å; Y331-S333 VanDerWaalsContact C-N 3.35Å; Y331-S333 PolarHBondContact O-N 3.47Å; Y331-I334 PolarHBondContact O-N 3.4Å; Y331-M335 HydrophobicContact CD1-CG 3.95Å; Y331-M335 HydrophobicContact CE1-CE 4.22Å; Y331-M335 HydrophobicContact CE1-CG 3.58Å; Y331-M335 HydrophobicContact CE1-SD 4.1Å; Y331-M335 HydrophobicContact CE2-CE 3.7Å; Y331-M335 HydrophobicContact CE2-CG 4.37Å; Y331-M335 HydrophobicContact CG-CG 4.48Å; Y331-M335 VanDerWaalsContact CZ-CE 3.46Å; Y331-M335 WeakPolarHBondContact O-CB 3.48Å; Y331-M335 VanDerWaalsContact O-CG 3.27Å; Y331-M335 WeakPolarHBondContact O-CG 3.44Å; Y331-M335 PolarHBondContact O-N 3.11Å; Y331-M335 WeakPolarHBondContact OH-CE 3.4Å |
| 332 | H | 84.6 | Confident | 79.9 | Confident | 107 Ų | 107 | 120.4 Ų | 120.4 | 50% | 0.495 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.8 | -41.3 | 177 | -167.1 | 70.8 | 0 | 0 | 0 | 112.4 | Q328 K329 K330 M335 Q336 | Q328-H332 WeakPolarHBondContact O-CB 3.37Å; Q328-H332 PolarHBondContact O-N 2.96Å; K329-H332 PolarHBondContact O-N 2.96Å; K330-H332 VanDerWaalsContact C-N 3.35Å; K330-H332 PolarHBondContact O-N 3.46Å; H332-M335 PolarHBondContact O-N 3.37Å; H332-Q336 PolarHBondContact CD2-NE2 3.35Å; H332-Q336 PolarHBondContact NE2-NE2 3.32Å; H332-Q336 WeakPolarHBondContact O-CG 3.5Å; H332-Q336 PolarHBondContact O-N 3.37Å |
| 333 | S | 84.6 | Confident | 78.3 | Confident | 64 Ų | 64 | 121 Ų | 121 | 45% | 0.448 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65.2 | -37 | 176.1 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | K329 K330 Y331 Q336 A337 | K329-S333 PolarHBondContact O-N 3.36Å; K329-S333 PolarHBondContact O-OG 3.32Å; K330-S333 WeakPolarHBondContact CA-OG 3.29Å; K330-S333 PolarHBondContact O-N 3.06Å; K330-S333 PolarHBondContact O-OG 3.15Å; Y331-S333 VanDerWaalsContact C-N 3.35Å; Y331-S333 PolarHBondContact O-N 3.47Å; S333-Q336 PolarHBondContact O-N 3.37Å; S333-A337 WeakPolarHBondContact O-CB 3.46Å; S333-A337 PolarHBondContact O-N 3.05Å; S333-A337 VanDerWaalsContact O-N 3.07Å |
| 334 | I | 83.3 | Confident | 76.7 | Confident | 70 Ų | 70 | 124.5 Ų | 124.5 | 36% | 0.359 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.5 | -46.8 | 176.6 | -67.2 | 164.8 | 0 | 0 | 0 | 109.9 | K330 Y331 Q336 A337 E338 | K330-I334 HydrophobicContact CG-CD1 4.1Å; K330-I334 WeakPolarHBondContact O-CG1 3.45Å; K330-I334 PolarHBondContact O-N 3.03Å; Y331-I334 PolarHBondContact O-N 3.4Å; I334-Q336 VanDerWaalsContact C-N 3.27Å; I334-Q336 PolarHBondContact O-N 3.45Å; I334-A337 PolarHBondContact O-N 3.14Å; I334-E338 HydrophobicContact CG2-CG 4.44Å; I334-E338 PolarHBondContact O-N 3.36Å |
| 335 | M | 82.4 | Confident | 75.2 | Confident | 77 Ų | 77 | 128.8 Ų | 128.8 | 38% | 0.379 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62.4 | -31.6 | 178.1 | -70.6 | -84.5 | 139.8 | 0 | 0 | 113 | Y331 H332 R339 | Y331-M335 HydrophobicContact CD1-CG 3.95Å; Y331-M335 HydrophobicContact CE1-CE 4.22Å; Y331-M335 HydrophobicContact CE1-CG 3.58Å; Y331-M335 HydrophobicContact CE1-SD 4.1Å; Y331-M335 HydrophobicContact CE2-CE 3.7Å; Y331-M335 HydrophobicContact CE2-CG 4.37Å; Y331-M335 HydrophobicContact CG-CG 4.48Å; Y331-M335 VanDerWaalsContact CZ-CE 3.46Å; Y331-M335 WeakPolarHBondContact O-CB 3.48Å; Y331-M335 VanDerWaalsContact O-CG 3.27Å; Y331-M335 WeakPolarHBondContact O-CG 3.44Å; Y331-M335 PolarHBondContact O-N 3.11Å; Y331-M335 WeakPolarHBondContact OH-CE 3.4Å; H332-M335 PolarHBondContact O-N 3.37Å; M335-R339 PolarHBondContact O-N 3.16Å |
| 336 | Q | 81.3 | Confident | 72.9 | Confident | 112 Ų | 112 | 135.8 Ų | 135.8 | 52% | 0.523 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -73 | -36.4 | 172.4 | -75.3 | -176.5 | -9.7 | 0 | 0 | 112.5 | H332 S333 I334 | H332-Q336 PolarHBondContact CD2-NE2 3.35Å; H332-Q336 PolarHBondContact NE2-NE2 3.32Å; H332-Q336 WeakPolarHBondContact O-CG 3.5Å; H332-Q336 PolarHBondContact O-N 3.37Å; S333-Q336 PolarHBondContact O-N 3.37Å; I334-Q336 VanDerWaalsContact C-N 3.27Å; I334-Q336 PolarHBondContact O-N 3.45Å |
| 337 | A | 79.4 | Confident | 72.1 | Confident | 84 Ų | 84 | 133.7 Ų | 133.7 | 69% | 0.694 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -72.1 | -31.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | S333 I334 | S333-A337 WeakPolarHBondContact O-CB 3.46Å; S333-A337 PolarHBondContact O-N 3.05Å; S333-A337 VanDerWaalsContact O-N 3.07Å; I334-A337 PolarHBondContact O-N 3.14Å |
| 338 | E | 75.8 | Confident | 71.3 | Confident | 131 Ų | 131 | 135.2 Ų | 135.2 | 61% | 0.612 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -82.2 | -10.6 | 176.8 | -73.6 | 175.6 | 177.3 | 0 | 0 | 113.6 | I334 P340 | I334-E338 HydrophobicContact CG2-CG 4.44Å; I334-E338 PolarHBondContact O-N 3.36Å; E338-P340 WeakPolarHBondContact O-CD 3.28Å |
| 339 | R | 67.7 | Low | 70.5 | Confident | 186 Ų | 186 | 135.1 Ų | 135.1 | 70% | 0.702 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -61.8 | 123.4 | 173.1 | -83.9 | -170.4 | -163.6 | -164.6 | 3.3 | 109 | M335 R341 | M335-R339 PolarHBondContact O-N 3.16Å; R339-R341 PolarHBondContact O-N 2.79Å |
| 340 | P | 63.8 | Low | 69.4 | Low | 110 Ų | 110 | 133.7 Ų | 133.7 | 71% | 0.714 | 67% | 0.674 | S | S | * | * | trans | -58 | 128.9 | 177.3 | 21.6 | -30.6 | 0 | 0 | 0 | 109.3 | E338 G342 | E338-P340 WeakPolarHBondContact O-CD 3.28Å; P340-G342 PolarHBondContact O-N 3.12Å | ||
| 341 | R | 61.4 | Low | 68.4 | Low | 260 Ų | 260 | 133.6 Ų | 133.6 | 98% | 0.981 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -70.6 | 19.6 | 177.5 | -94.5 | -169.8 | -90.6 | -173.1 | -5.1 | 113.7 | R339 | R339-R341 PolarHBondContact O-N 2.79Š|
| 342 | G | 54.5 | Low | 67.4 | Low | 70 Ų | 70 | 132.9 Ų | 132.9 | 72% | 0.722 | 69% | 0.687 | S | S | * | * | trans | -137.2 | 43.5 | -162.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P340 | P340-G342 PolarHBondContact O-N 3.12Š| ||
| 343 | S | 51.2 | Low | 66.2 | Low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 70% | 0.7 | S | S | * | * | trans | -125.5 | 64.4 | 149.6 | 71.7 | 0 | 0 | 0 | 0 | 107.2 | D345 | S343-D345 PolarHBondContact O-N 2.87Š| ||
| 344 | K | 50.5 | Low | 64.7 | Low | 190 Ų | 190 | 140.2 Ų | 140.2 | 83% | 0.826 | 72% | 0.72 | S | S | * | * | trans | -72.1 | 121.7 | 151.4 | -83 | -171.7 | 173.9 | -175 | 0 | 104.5 | E346 | K344-E346 PolarHBondContact O-N 3.35Š| ||
| 345 | D | 51.2 | Low | 63.2 | Low | 162 Ų | 162 | 146.1 Ų | 146.1 | 87% | 0.866 | 75% | 0.75 | S | S | * | * | trans | -43.5 | 111.6 | 170.4 | -50.5 | -66.4 | 0 | 0 | 0 | 108.8 | S343 | S343-D345 PolarHBondContact O-N 2.87Š| ||
| 346 | E | 39 | Very low | 61.4 | Low | 265 Ų | 265 | 152.4 Ų | 152.4 | 100% | 1.238 | 78% | 0.784 | S | S | * | * | trans | -108.5 | 0 | 154.7 | -85.1 | -171.5 | 167.5 | 0 | 0 | 107.8 | K344 | K344-E346 PolarHBondContact O-N 3.35Š|
Retrieved 346 of 346 residues in 71.8 ms
(Link to these results)