| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 38.5 | Very low | 35.9 | Very low | 247 Ų | 247 | 172.4 Ų | 172.4 | 100% | 1.217 | 83% | 0.825 | S | S | * | * | 0 | 110 | 0 | -165.8 | 171.2 | -173.8 | 0 | 0 | 107.5 | |||||
| 2 | V | 31.7 | Very low | 36.8 | Very low | 140 Ų | 140 | 163.2 Ų | 163.2 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -132.8 | 119.7 | -166.2 | 177.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 3 | M | 35.7 | Very low | 38.2 | Very low | 182 Ų | 182 | 157.1 Ų | 157.1 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | 178.7 | -22.9 | 163.5 | -103.3 | -65.3 | 175.6 | 0 | 0 | 113.4 | R5 | M3-R5 PolarHBondContact O-N 3.11Š| ||
| 4 | L | 39.7 | Very low | 39.4 | Very low | 186 Ų | 186 | 149.9 Ų | 149.9 | 97% | 0.974 | 73% | 0.73 | S | S | * | * | trans | -90.8 | 92.1 | -176.4 | -74.8 | 168.1 | 0 | 0 | 0 | 112.5 | ||||
| 5 | R | 34.4 | Very low | 41.1 | Very low | 239 Ų | 239 | 142.4 Ų | 142.4 | 90% | 0.902 | 70% | 0.698 | S | S | * | * | trans | -142.2 | 79.3 | 175.8 | -159.8 | -171.5 | -154.1 | -164.5 | 8.9 | 111.2 | M3 | M3-R5 PolarHBondContact O-N 3.11Š| ||
| 6 | R | 32.2 | Very low | 43.1 | Very low | 232 Ų | 232 | 140.4 Ų | 140.4 | 88% | 0.875 | 69% | 0.685 | S | S | * | * | trans | -155.3 | 140.8 | 172 | -103 | 162.4 | -169.8 | -177 | 1.4 | 109.8 | ||||
| 7 | H | 34.9 | Very low | 45.3 | Very low | 186 Ų | 186 | 140.2 Ų | 140.2 | 86% | 0.861 | 68% | 0.68 | S | S | * | * | trans | 54.2 | 79.9 | -178.3 | -61 | -77.3 | 0 | 0 | 0 | 115.9 | ||||
| 8 | I | 35.4 | Very low | 47.3 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 65% | 0.646 | 65% | 0.651 | S | S | * | * | trans | -98 | 128.8 | 153.3 | -67.5 | 174.9 | 0 | 0 | 0 | 106.1 | D12 | I8-D12 HydrophobicContact CG2-CB 3.5Å; I8-D12 VanDerWaalsContact CG2-CB 3.5Å | ||
| 9 | P | 38.5 | Very low | 49.3 | Very low | 74 Ų | 74 | 129.2 Ų | 129.2 | 48% | 0.481 | 63% | 0.626 | S | S | . | * | trans | -72.8 | 156.1 | 179.3 | 31.5 | -35 | 0 | 0 | 0 | 111.4 | C11 D12 | P9-C11 PolarHBondContact O-N 3.07Å; P9-C11 VanDerWaalsContact O-N 3.13Å; P9-D12 WeakPolarHBondContact CG-OD1 3.32Å; P9-D12 PolarHBondContact O-N 3Å; P9-D12 VanDerWaalsContact O-N 3.12Å | ||
| 10 | Y | 35.2 | Very low | 51.1 | Low | 193 Ų | 193 | 131.5 Ų | 131.5 | 76% | 0.757 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -61.4 | -24.9 | -175.8 | -158.9 | -96.9 | 0 | 0 | 0 | 113.4 | T13 L14 | Y10-T13 PolarHBondContact O-N 3.17Å; Y10-T13 PolarHBondContact O-OG1 3.04Å; Y10-L14 HydrophobicContact CE1-CD1 4.43Å; Y10-L14 PolarHBondContact O-N 3.38Å |
| 11 | C | 38.7 | Very low | 52.9 | Low | 91 Ų | 91 | 128.1 Ų | 128.1 | 62% | 0.615 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.1 | -41.1 | 174.8 | -53.3 | 0 | 0 | 0 | 0 | 112.8 | P9 T13 L14 S15 | P9-C11 PolarHBondContact O-N 3.07Å; P9-C11 VanDerWaalsContact O-N 3.13Å; C11-T13 PolarHBondContact O-N 3.35Å; C11-T13 VanDerWaalsContact O-N 3.16Å; C11-L14 PolarHBondContact O-N 3.17Å; C11-S15 PolarHBondContact O-N 3.45Å |
| 12 | D | 46.7 | Very low | 55.3 | Low | 62 Ų | 62 | 116.3 Ų | 116.3 | 33% | 0.332 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.6 | -29.1 | -179.6 | -77.1 | 30 | 0 | 0 | 0 | 112.2 | I8 P9 K16 | I8-D12 HydrophobicContact CG2-CB 3.5Å; I8-D12 VanDerWaalsContact CG2-CB 3.5Å; P9-D12 WeakPolarHBondContact CG-OD1 3.32Å; P9-D12 PolarHBondContact O-N 3Å; P9-D12 VanDerWaalsContact O-N 3.12Å; D12-K16 WeakPolarHBondContact O-CB 3.39Å; D12-K16 WeakPolarHBondContact O-CD 3.43Å; D12-K16 WeakPolarHBondContact O-CG 3.44Å; D12-K16 PolarHBondContact O-N 3.08Å |
| 13 | T | 55.8 | Low | 58.1 | Low | 84 Ų | 84 | 110.7 Ų | 110.7 | 52% | 0.515 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -82.4 | -22.4 | 175.3 | 41.8 | 0 | 0 | 0 | 0 | 113.8 | Y10 C11 K17 | Y10-T13 PolarHBondContact O-N 3.17Å; Y10-T13 PolarHBondContact O-OG1 3.04Å; C11-T13 PolarHBondContact O-N 3.35Å; C11-T13 VanDerWaalsContact O-N 3.16Å; T13-K17 WeakPolarHBondContact O-CB 3.25Å |
| 14 | L | 55.1 | Low | 60.7 | Low | 57 Ų | 57 | 106.8 Ų | 106.8 | 30% | 0.298 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -83.3 | -47.2 | 174 | -129.2 | 80.3 | 0 | 0 | 0 | 111.4 | Y10 C11 K16 K17 M18 E42 | Y10-L14 HydrophobicContact CE1-CD1 4.43Å; Y10-L14 PolarHBondContact O-N 3.38Å; C11-L14 PolarHBondContact O-N 3.17Å; L14-K16 PolarHBondContact O-N 3.34Å; L14-K17 WeakPolarHBondContact O-CA 3.35Å; L14-K17 WeakPolarHBondContact O-CB 3.43Å; L14-K17 PolarHBondContact O-N 3.03Å; L14-M18 PolarHBondContact O-N 3.45Å; L14-E42 VanDerWaalsContact CD2-OE2 3.3Å; L14-E42 WeakPolarHBondContact CD2-OE2 3.27Å |
| 15 | S | 63.6 | Low | 63.1 | Low | 37 Ų | 37 | 98.1 Ų | 98.1 | 26% | 0.259 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -53.2 | -53 | 175.1 | -169 | 0 | 0 | 0 | 0 | 110.7 | C11 K17 M18 E19 | C11-S15 PolarHBondContact O-N 3.45Å; S15-K17 PolarHBondContact O-N 3.45Å; S15-K17 VanDerWaalsContact O-N 3.08Å; S15-M18 CarbonylContact O-C 3.56Å; S15-M18 WeakPolarHBondContact O-CA 3.16Å; S15-M18 PolarHBondContact O-N 2.91Å; S15-E19 VanDerWaalsContact CB-OE1 3.3Å; S15-E19 WeakPolarHBondContact CB-OE1 3.13Å; S15-E19 WeakPolarHBondContact O-CB 3.25Å; S15-E19 VanDerWaalsContact O-CG 3.26Å; S15-E19 WeakPolarHBondContact O-CG 3.28Å; S15-E19 PolarHBondContact O-N 3.16Å; S15-E19 PolarHBondContact OG-OE1 3.08Å |
| 16 | K | 73.5 | Confident | 65.7 | Low | 111 Ų | 111 | 86.7 Ų | 86.7 | 48% | 0.483 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.8 | -14.7 | 178 | -70.9 | 169.2 | -174.9 | 154.4 | 0 | 114.6 | D12 L14 E19 R20 | D12-K16 WeakPolarHBondContact O-CB 3.39Å; D12-K16 WeakPolarHBondContact O-CD 3.43Å; D12-K16 WeakPolarHBondContact O-CG 3.44Å; D12-K16 PolarHBondContact O-N 3.08Å; L14-K16 PolarHBondContact O-N 3.34Å; K16-E19 WeakPolarHBondContact CA-OE2 3.4Å; K16-E19 WeakPolarHBondContact CG-OE2 3.38Å; K16-E19 PolarHBondContact N-OE1 3.19Å; K16-R20 VanDerWaalsContact O-CD 3.25Å; K16-R20 WeakPolarHBondContact O-CD 3.42Å; K16-R20 WeakPolarHBondContact O-CG 3.28Å |
| 17 | K | 80.9 | Confident | 68.3 | Low | 137 Ų | 137 | 81.3 Ų | 81.3 | 60% | 0.596 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -83.9 | -40.1 | 169.3 | -172.7 | -177.8 | 176.5 | -172.3 | 0 | 110.8 | T13 L14 S15 R20 T21 | T13-K17 WeakPolarHBondContact O-CB 3.25Å; L14-K17 WeakPolarHBondContact O-CA 3.35Å; L14-K17 WeakPolarHBondContact O-CB 3.43Å; L14-K17 PolarHBondContact O-N 3.03Å; S15-K17 PolarHBondContact O-N 3.45Å; S15-K17 VanDerWaalsContact O-N 3.08Å; K17-R20 PolarHBondContact O-N 3.41Å; K17-T21 PolarHBondContact O-N 3.03Å; K17-T21 PolarHBondContact O-OG1 2.85Å |
| 18 | M | 81.7 | Confident | 70.8 | Confident | 34 Ų | 34 | 75.9 Ų | 75.9 | 17% | 0.167 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 177.5 | -69 | 173.3 | 68.2 | 0 | 0 | 112.4 | L14 S15 R20 T21 L22 A40 E42 V44 | L14-M18 PolarHBondContact O-N 3.45Å; S15-M18 CarbonylContact O-C 3.56Å; S15-M18 WeakPolarHBondContact O-CA 3.16Å; S15-M18 PolarHBondContact O-N 2.91Å; M18-R20 VanDerWaalsContact C-N 3.32Å; M18-R20 PolarHBondContact O-N 3.06Å; M18-T21 VanDerWaalsContact CA-OG1 3.31Å; M18-T21 WeakPolarHBondContact CA-OG1 3.5Å; M18-T21 PolarHBondContact O-N 2.78Å; M18-T21 PolarHBondContact O-OG1 2.7Å; M18-L22 WeakPolarHBondContact O-CB 3.23Å; M18-L22 PolarHBondContact O-N 2.86Å; M18-A40 HydrophobicContact CE-CB 3.36Å; M18-E42 HydrophobicContact CE-CB 4.24Å; M18-E42 HydrophobicContact SD-CB 4.24Å; M18-V44 HydrophobicContact CB-CG2 3.88Å; M18-V44 HydrophobicContact CE-CG2 3.68Å |
| 19 | E | 84.9 | Confident | 73.2 | Confident | 36 Ų | 36 | 70 Ų | 70 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -53.3 | -48.1 | 168.8 | -68.2 | 154 | -138.9 | 0 | 0 | 110.9 | S15 K16 L22 L23 V44 C48 | S15-E19 VanDerWaalsContact CB-OE1 3.3Å; S15-E19 WeakPolarHBondContact CB-OE1 3.13Å; S15-E19 WeakPolarHBondContact O-CB 3.25Å; S15-E19 VanDerWaalsContact O-CG 3.26Å; S15-E19 WeakPolarHBondContact O-CG 3.28Å; S15-E19 PolarHBondContact O-N 3.16Å; S15-E19 PolarHBondContact OG-OE1 3.08Å; K16-E19 WeakPolarHBondContact CA-OE2 3.4Å; K16-E19 WeakPolarHBondContact CG-OE2 3.38Å; K16-E19 PolarHBondContact N-OE1 3.19Å; E19-L22 WeakPolarHBondContact O-CB 3.46Å; E19-L22 PolarHBondContact O-N 3.36Å; E19-L23 WeakPolarHBondContact O-CG 3.31Å; E19-L23 PolarHBondContact O-N 2.78Å; E19-V44 HydrophobicContact CG-CG1 4.04Å; E19-C48 HydrophobicContact CB-CB 4.17Å; E19-C48 HydrophobicContact CG-CB 3.98Å |
| 20 | R | 85.8 | Confident | 75.6 | Confident | 175 Ų | 175 | 67.5 Ų | 67.5 | 66% | 0.66 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -64.3 | -42.2 | 176.3 | -76 | 173.7 | -176.8 | -166.4 | -2.2 | 112.7 | K16 K17 M18 L22 L23 E24 | K16-R20 VanDerWaalsContact O-CD 3.25Å; K16-R20 WeakPolarHBondContact O-CD 3.42Å; K16-R20 WeakPolarHBondContact O-CG 3.28Å; K17-R20 PolarHBondContact O-N 3.41Å; M18-R20 VanDerWaalsContact C-N 3.32Å; M18-R20 PolarHBondContact O-N 3.06Å; R20-L22 VanDerWaalsContact C-N 3.31Å; R20-L22 PolarHBondContact O-N 3.29Å; R20-L23 PolarHBondContact O-N 2.68Å; R20-E24 VanDerWaalsContact O-CB 3.26Å; R20-E24 WeakPolarHBondContact O-CB 3.39Å; R20-E24 WeakPolarHBondContact O-CG 3.34Å; R20-E24 PolarHBondContact O-N 2.85Å |
| 21 | T | 88.3 | Confident | 78.2 | Confident | 61 Ų | 61 | 61 Ų | 61 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.8 | -30.8 | 175.8 | 49.1 | 0 | 0 | 0 | 0 | 112.7 | K17 M18 A25 | K17-T21 PolarHBondContact O-N 3.03Å; K17-T21 PolarHBondContact O-OG1 2.85Å; M18-T21 VanDerWaalsContact CA-OG1 3.31Å; M18-T21 WeakPolarHBondContact CA-OG1 3.5Å; M18-T21 PolarHBondContact O-N 2.78Å; M18-T21 PolarHBondContact O-OG1 2.7Å; T21-A25 WeakPolarHBondContact O-CB 3.34Å; T21-A25 PolarHBondContact O-N 3.42Å |
| 22 | L | 89.9 | Confident | 80.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -66.3 | -50.1 | 173.5 | 177.4 | 64.7 | 0 | 0 | 0 | 110.9 | M18 E19 R20 A25 A26 V34 C37 V44 A56 | M18-L22 WeakPolarHBondContact O-CB 3.23Å; M18-L22 PolarHBondContact O-N 2.86Å; E19-L22 WeakPolarHBondContact O-CB 3.46Å; E19-L22 PolarHBondContact O-N 3.36Å; R20-L22 VanDerWaalsContact C-N 3.31Å; R20-L22 PolarHBondContact O-N 3.29Å; L22-A25 PolarHBondContact O-N 3.13Å; L22-A26 WeakPolarHBondContact O-CB 3.35Å; L22-A26 PolarHBondContact O-N 3.43Å; L22-V34 HydrophobicContact CD1-CB 4.49Å; L22-V34 HydrophobicContact CD1-CG1 3.97Å; L22-V34 HydrophobicContact CD1-CG2 4.37Å; L22-C37 HydrophobicContact CB-CB 4.27Å; L22-C37 HydrophobicContact CD1-CB 3.99Å; L22-V44 HydrophobicContact CD2-CG1 3.97Å; L22-A56 HydrophobicContact CD2-CB 4.48Å; L22-A56 HydrophobicContact CG-CB 4.3Å |
| 23 | L | 89.7 | Confident | 82.5 | Confident | 21 Ų | 21 | 57.4 Ų | 57.4 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.6 | -42.3 | 176.2 | -67.5 | 167.5 | 0 | 0 | 0 | 111.8 | E19 R20 Y27 A56 I59 | E19-L23 WeakPolarHBondContact O-CG 3.31Å; E19-L23 PolarHBondContact O-N 2.78Å; R20-L23 PolarHBondContact O-N 2.68Å; L23-Y27 VanDerWaalsContact O-CB 3.29Å; L23-Y27 WeakPolarHBondContact O-CB 3.46Å; L23-Y27 PolarHBondContact O-N 3.38Å; L23-A56 HydrophobicContact CD2-CB 4.04Å; L23-I59 HydrophobicContact CD2-CD1 3.82Å |
| 24 | E | 89.7 | Confident | 84.1 | Confident | 100 Ų | 100 | 53.5 Ų | 53.5 | 47% | 0.467 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.6 | -32.6 | 174.8 | -82.5 | -169 | -125.9 | 0 | 0 | 113.3 | R20 K28 | R20-E24 VanDerWaalsContact O-CB 3.26Å; R20-E24 WeakPolarHBondContact O-CB 3.39Å; R20-E24 WeakPolarHBondContact O-CG 3.34Å; R20-E24 PolarHBondContact O-N 2.85Å; E24-K28 WeakPolarHBondContact O-CB 3.46Å; E24-K28 WeakPolarHBondContact O-CD 3.48Å; E24-K28 WeakPolarHBondContact O-CE 3.23Å; E24-K28 WeakPolarHBondContact O-CG 3.44Å; E24-K28 PolarHBondContact O-N 3.09Å; E24-K28 IonicContact OE2-NZ 3.83Å; E24-K28 PolarHBondContact OE2-NZ 2.7Å |
| 25 | A | 89.9 | Confident | 85.8 | Confident | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -74.8 | -44.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T21 L22 Y27 K28 G29 D30 V34 | T21-A25 WeakPolarHBondContact O-CB 3.34Å; T21-A25 PolarHBondContact O-N 3.42Å; L22-A25 PolarHBondContact O-N 3.13Å; A25-Y27 PolarHBondContact O-N 2.89Å; A25-K28 PolarHBondContact O-N 3.18Å; A25-K28 VanDerWaalsContact O-N 3.13Å; A25-G29 PolarHBondContact O-N 3.37Å; A25-G29 VanDerWaalsContact O-N 3.12Å; A25-D30 HydrophobicContact CB-CB 4.29Å; A25-D30 PolarHBondContact O-N 2.97Å; A25-V34 HydrophobicContact CB-CG2 3.71Å |
| 26 | A | 89.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.2 | -46.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L22 K28 G29 A56 I59 | L22-A26 WeakPolarHBondContact O-CB 3.35Å; L22-A26 PolarHBondContact O-N 3.43Å; A26-K28 PolarHBondContact O-N 3.07Å; A26-G29 PolarHBondContact O-N 3.3Å; A26-A56 HydrophobicContact CB-CB 4.43Å; A26-I59 HydrophobicContact CB-CG2 4.47Å |
| 27 | Y | 87.2 | Confident | 87.5 | Confident | 119 Ų | 119 | 50.1 Ų | 50.1 | 47% | 0.467 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.9 | -22.9 | 177 | -174.9 | -102.8 | 0 | 0 | 0 | 114 | L23 A25 I59 Q748 | L23-Y27 VanDerWaalsContact O-CB 3.29Å; L23-Y27 WeakPolarHBondContact O-CB 3.46Å; L23-Y27 PolarHBondContact O-N 3.38Å; A25-Y27 PolarHBondContact O-N 2.89Å; Y27-I59 HydrophobicContact CD2-CG2 4.08Å; Y27-Q748 PolarHBondContact O-NE2 3.38Å; Y27-Q748 PolarHBondContact O-OE1 3.4Å |
| 28 | K | 86.1 | Confident | 87.7 | Confident | 72 Ų | 72 | 45.1 Ų | 45.1 | 31% | 0.313 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -101.1 | -3.4 | -178.2 | -69 | 167.6 | -159 | 164.3 | 0 | 114.5 | E24 A25 A26 D30 Y755 | E24-K28 WeakPolarHBondContact O-CB 3.46Å; E24-K28 WeakPolarHBondContact O-CD 3.48Å; E24-K28 WeakPolarHBondContact O-CE 3.23Å; E24-K28 WeakPolarHBondContact O-CG 3.44Å; E24-K28 PolarHBondContact O-N 3.09Å; E24-K28 IonicContact OE2-NZ 3.83Å; E24-K28 PolarHBondContact OE2-NZ 2.7Å; A25-K28 PolarHBondContact O-N 3.18Å; A25-K28 VanDerWaalsContact O-N 3.13Å; A26-K28 PolarHBondContact O-N 3.07Å; K28-D30 VanDerWaalsContact C-N 3.29Å; K28-D30 PolarHBondContact O-N 3.47Å; K28-Y755 HydrophobicContact CB-CE2 3.99Å; K28-Y755 WeakPolarHBondContact O-CE2 3.47Å |
| 29 | G | 85.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 19.3 | -171 | 0 | 0 | 0 | 0 | 0 | 114.3 | A25 A26 K31 N65 | A25-G29 PolarHBondContact O-N 3.37Å; A25-G29 VanDerWaalsContact O-N 3.12Å; A26-G29 PolarHBondContact O-N 3.3Å; G29-K31 VanDerWaalsContact C-N 3.32Å; G29-K31 PolarHBondContact O-N 3.39Å; G29-N65 VanDerWaalsContact CA-OD1 3.25Å; G29-N65 WeakPolarHBondContact CA-OD1 3.23Å |
| 30 | D | 90.1 | Very high | 87.7 | Confident | 23 Ų | 23 | 50.3 Ų | 50.3 | 12% | 0.123 | 26% | 0.256 | C | S | . | . | trans | -82.9 | 77.6 | -180 | -170.7 | -10.8 | 0 | 0 | 0 | 111.2 | A25 K28 A32 S33 V34 Y755 | A25-D30 HydrophobicContact CB-CB 4.29Å; A25-D30 PolarHBondContact O-N 2.97Å; K28-D30 VanDerWaalsContact C-N 3.29Å; K28-D30 PolarHBondContact O-N 3.47Å; D30-A32 PolarHBondContact O-N 3.09Å; D30-A32 PolarHBondContact OD1-N 3.05Å; D30-S33 VanDerWaalsContact CG-CB 3.48Å; D30-S33 VanDerWaalsContact CG-OG 3.23Å; D30-S33 PolarHBondContact O-N 3.35Å; D30-S33 VanDerWaalsContact O-N 3.16Å; D30-S33 PolarHBondContact OD1-N 2.87Å; D30-S33 WeakPolarHBondContact OD2-CB 3.44Å; D30-S33 PolarHBondContact OD2-OG 3.36Å; D30-V34 PolarHBondContact O-N 3.42Å; D30-Y755 HydrophobicContact CB-CD1 3.79Å; D30-Y755 HydrophobicContact CB-CD2 4.08Å; D30-Y755 HydrophobicContact CB-CE1 4.01Å; D30-Y755 HydrophobicContact CB-CE2 4.34Å; D30-Y755 HydrophobicContact CB-CG 3.84Å; D30-Y755 VanDerWaalsContact CG-CD1 3.42Å; D30-Y755 WeakPolarHBondContact OD2-CD1 2.94Å; D30-Y755 WeakPolarHBondContact OD2-CE1 3.34Å | ||
| 31 | K | 89.4 | Confident | 86.9 | Confident | 57 Ų | 57 | 48.5 Ų | 48.5 | 25% | 0.248 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -47.5 | -41.6 | 175.2 | -175.8 | -175.8 | 176.3 | -179.4 | 0 | 113.1 | G29 V34 E35 E67 I68 L71 | G29-K31 VanDerWaalsContact C-N 3.32Å; G29-K31 PolarHBondContact O-N 3.39Å; K31-V34 PolarHBondContact O-N 3.43Å; K31-E35 VanDerWaalsContact CE-OE1 3.29Å; K31-E35 WeakPolarHBondContact CE-OE1 3.44Å; K31-E35 WeakPolarHBondContact O-CG 3.11Å; K31-E35 PolarHBondContact O-N 3.13Å; K31-E67 HydrophobicContact CD-CB 4.25Å; K31-E67 WeakPolarHBondContact CE-OE2 3.46Å; K31-E67 IonicContact NZ-OE2 3.02Å; K31-E67 PolarHBondContact NZ-OE2 3.23Å; K31-I68 HydrophobicContact CB-CG1 4.44Å; K31-L71 HydrophobicContact CD-CD1 4.34Å; K31-L71 HydrophobicContact CG-CD1 3.6Å |
| 32 | A | 88 | Confident | 85.8 | Confident | 28 Ų | 28 | 50.4 Ų | 50.4 | 23% | 0.231 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.8 | -38.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112 | D30 A36 E759 | D30-A32 PolarHBondContact O-N 3.09Å; D30-A32 PolarHBondContact OD1-N 3.05Å; A32-A36 WeakPolarHBondContact O-CB 3.46Å; A32-A36 PolarHBondContact O-N 2.97Å; A32-E759 HydrophobicContact CB-CB 4.38Å; A32-E759 HydrophobicContact CB-CG 3.93Å |
| 33 | S | 87.9 | Confident | 85 | Confident | 49 Ų | 49 | 53.8 Ų | 53.8 | 34% | 0.343 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.6 | -36.6 | 171.4 | -69 | 0 | 0 | 0 | 0 | 112.1 | D30 A36 C37 | D30-S33 VanDerWaalsContact CG-CB 3.48Å; D30-S33 VanDerWaalsContact CG-OG 3.23Å; D30-S33 PolarHBondContact O-N 3.35Å; D30-S33 VanDerWaalsContact O-N 3.16Å; D30-S33 PolarHBondContact OD1-N 2.87Å; D30-S33 WeakPolarHBondContact OD2-CB 3.44Å; D30-S33 PolarHBondContact OD2-OG 3.36Å; S33-A36 PolarHBondContact O-N 2.8Å; S33-C37 PolarHBondContact O-N 2.88Å; S33-C37 PolarHBondContact O-SG 2.86Å |
| 34 | V | 89.6 | Confident | 84.5 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.9 | -48.5 | 173 | 176 | 0 | 0 | 0 | 0 | 111.3 | L22 A25 D30 K31 A36 C37 L38 I68 | L22-V34 HydrophobicContact CD1-CB 4.49Å; L22-V34 HydrophobicContact CD1-CG1 3.97Å; L22-V34 HydrophobicContact CD1-CG2 4.37Å; A25-V34 HydrophobicContact CB-CG2 3.71Å; D30-V34 PolarHBondContact O-N 3.42Å; K31-V34 PolarHBondContact O-N 3.43Å; V34-A36 VanDerWaalsContact C-N 3.28Å; V34-A36 PolarHBondContact O-N 3.38Å; V34-C37 PolarHBondContact O-N 2.89Å; V34-L38 HydrophobicContact CG1-CD1 3.74Å; V34-L38 HydrophobicContact CG1-CG 4.2Å; V34-L38 WeakPolarHBondContact O-CG 3.32Å; V34-L38 PolarHBondContact O-N 3.28Å; V34-I68 HydrophobicContact CG1-CG2 4.19Å; V34-I68 HydrophobicContact CG2-CD1 4.36Å; V34-I68 HydrophobicContact CG2-CG2 4.15Å |
| 35 | E | 89.2 | Confident | 84.2 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 26% | 0.257 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56 | -42.2 | 175.1 | -75 | 180 | -175 | 0 | 0 | 111.7 | K31 L38 Q39 L71 | K31-E35 VanDerWaalsContact CE-OE1 3.29Å; K31-E35 WeakPolarHBondContact CE-OE1 3.44Å; K31-E35 WeakPolarHBondContact O-CG 3.11Å; K31-E35 PolarHBondContact O-N 3.13Å; E35-L38 PolarHBondContact O-N 3.37Å; E35-Q39 WeakPolarHBondContact O-CB 3.37Å; E35-Q39 VanDerWaalsContact O-CG 3.26Å; E35-Q39 WeakPolarHBondContact O-CG 3.49Å; E35-Q39 PolarHBondContact O-N 3.43Å; E35-L71 HydrophobicContact CG-CD1 3.64Å; E35-L71 HydrophobicContact CG-CD2 4.03Å; E35-L71 HydrophobicContact CG-CG 4.48Å |
| 36 | A | 87 | Confident | 84 | Confident | 62 Ų | 62 | 54.3 Ų | 54.3 | 51% | 0.512 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A32 S33 V34 A40 | A32-A36 WeakPolarHBondContact O-CB 3.46Å; A32-A36 PolarHBondContact O-N 2.97Å; S33-A36 PolarHBondContact O-N 2.8Å; V34-A36 VanDerWaalsContact C-N 3.28Å; V34-A36 PolarHBondContact O-N 3.38Å; A36-A40 PolarHBondContact O-N 2.88Å |
| 37 | C | 86.6 | Confident | 83.7 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 12% | 0.122 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.5 | -37.9 | 173.9 | -76.3 | 0 | 0 | 0 | 0 | 112.3 | L22 S33 V34 A40 | L22-C37 HydrophobicContact CB-CB 4.27Å; L22-C37 HydrophobicContact CD1-CB 3.99Å; S33-C37 PolarHBondContact O-N 2.88Å; S33-C37 PolarHBondContact O-SG 2.86Å; V34-C37 PolarHBondContact O-N 2.89Å; C37-A40 WeakPolarHBondContact O-CB 3.37Å |
| 38 | L | 86 | Confident | 83.6 | Confident | 31 Ų | 31 | 50.7 Ų | 50.7 | 16% | 0.162 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75.5 | -24.8 | 178.8 | -66.6 | 175.4 | 0 | 0 | 0 | 113.5 | V34 E35 I46 L72 Q75 | V34-L38 HydrophobicContact CG1-CD1 3.74Å; V34-L38 HydrophobicContact CG1-CG 4.2Å; V34-L38 WeakPolarHBondContact O-CG 3.32Å; V34-L38 PolarHBondContact O-N 3.28Å; E35-L38 PolarHBondContact O-N 3.37Å; L38-I46 HydrophobicContact CD2-CG1 4.02Å; L38-I46 HydrophobicContact CD2-CG2 4.46Å; L38-L72 HydrophobicContact CD1-CD2 4.12Å; L38-L72 HydrophobicContact CD2-CD2 4.35Å; L38-Q75 HydrophobicContact CD1-CG 4.17Å; L38-Q75 HydrophobicContact CD2-CG 4.11Å |
| 39 | Q | 85.5 | Confident | 83.6 | Confident | 152 Ų | 152 | 51.1 Ų | 51.1 | 71% | 0.71 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | 3 | 176.4 | -68.1 | 174.9 | 35.7 | 0 | 0 | 113.6 | E35 | E35-Q39 WeakPolarHBondContact O-CB 3.37Å; E35-Q39 VanDerWaalsContact O-CG 3.26Å; E35-Q39 WeakPolarHBondContact O-CG 3.49Å; E35-Q39 PolarHBondContact O-N 3.43Å |
| 40 | A | 79.8 | Confident | 83.5 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 22% | 0.223 | 32% | 0.319 | C | S | . | . | trans | -67.1 | 141.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | M18 A36 C37 E42 | M18-A40 HydrophobicContact CE-CB 3.36Å; A36-A40 PolarHBondContact O-N 2.88Å; C37-A40 WeakPolarHBondContact O-CB 3.37Å; A40-E42 PolarHBondContact O-N 3.43Å | ||
| 41 | P | 68.7 | Low | 83.1 | Confident | 138 Ų | 138 | 60.3 Ų | 60.3 | 90% | 0.896 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -71.6 | -18 | 178.1 | 30.7 | -36.1 | 0 | 0 | 0 | 112.9 | ||
| 42 | E | 66.4 | Low | 82.6 | Confident | 101 Ų | 101 | 64.1 Ų | 64.1 | 47% | 0.472 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -90.7 | 108.2 | 168.3 | -65.9 | -179.7 | -134 | 0 | 0 | 107.9 | L14 M18 A40 V44 | L14-E42 VanDerWaalsContact CD2-OE2 3.3Å; L14-E42 WeakPolarHBondContact CD2-OE2 3.27Å; M18-E42 HydrophobicContact CE-CB 4.24Å; M18-E42 HydrophobicContact SD-CB 4.24Å; A40-E42 PolarHBondContact O-N 3.43Å; E42-V44 PolarHBondContact O-N 2.95Å |
| 43 | G | 71.7 | Confident | 82.3 | Confident | 71 Ų | 71 | 64.3 Ų | 64.3 | 73% | 0.732 | 39% | 0.386 | S | S | * | . | trans | -65.3 | 120.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 44 | V | 80.3 | Confident | 82.1 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 14% | 0.139 | 38% | 0.377 | C | S | . | . | trans | -88.4 | 140.5 | 177.1 | -172.9 | 0 | 0 | 0 | 0 | 110 | M18 E19 L22 E42 I46 | M18-V44 HydrophobicContact CB-CG2 3.88Å; M18-V44 HydrophobicContact CE-CG2 3.68Å; E19-V44 HydrophobicContact CG-CG1 4.04Å; L22-V44 HydrophobicContact CD2-CG1 3.97Å; E42-V44 PolarHBondContact O-N 2.95Å; V44-I46 PolarHBondContact O-N 3.1Å; V44-I46 VanDerWaalsContact O-N 3.13Å | ||
| 45 | D | 83.6 | Confident | 82 | Confident | 86 Ų | 86 | 64.2 Ų | 64.2 | 46% | 0.46 | 38% | 0.379 | S | S | . | . | trans | -70.8 | 106.3 | 167.3 | -176.1 | 8 | 0 | 0 | 0 | 110.1 | N47 C48 | D45-N47 PolarHBondContact O-N 3.35Å; D45-N47 WeakPolarHBondContact OD1-CA 3.33Å; D45-N47 WeakPolarHBondContact OD1-CB 3.22Å; D45-N47 PolarHBondContact OD1-N 2.94Å; D45-C48 HydrophobicContact CB-CB 4.44Å; D45-C48 WeakPolarHBondContact O-CB 3.43Å; D45-C48 PolarHBondContact O-N 3.41Å; D45-C48 VanDerWaalsContact O-N 3.15Å; D45-C48 PolarHBondContact O-SG 2.91Å | ||
| 46 | I | 84.5 | Confident | 82 | Confident | 27 Ų | 27 | 61.6 Ų | 61.6 | 14% | 0.138 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -24 | 179 | -51.9 | 153.3 | 0 | 0 | 0 | 111.1 | L38 V44 C48 L72 Q75 V78 | L38-I46 HydrophobicContact CD2-CG1 4.02Å; L38-I46 HydrophobicContact CD2-CG2 4.46Å; V44-I46 PolarHBondContact O-N 3.1Å; V44-I46 VanDerWaalsContact O-N 3.13Å; I46-C48 VanDerWaalsContact C-N 3.35Å; I46-L72 HydrophobicContact CG2-CD2 3.95Å; I46-Q75 HydrophobicContact CD1-CB 3.68Å; I46-Q75 HydrophobicContact CD1-CG 4.19Å; I46-V78 HydrophobicContact CB-CG2 4.36Å; I46-V78 HydrophobicContact CD1-CG2 4.4Å; I46-V78 HydrophobicContact CG2-CG2 3.68Å |
| 47 | N | 83.6 | Confident | 82.2 | Confident | 32 Ų | 32 | 58.8 Ų | 58.8 | 17% | 0.171 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 13.4 | 179.1 | -58.3 | -62.9 | 0 | 0 | 0 | 112.9 | D45 G77 V78 K79 | D45-N47 PolarHBondContact O-N 3.35Å; D45-N47 WeakPolarHBondContact OD1-CA 3.33Å; D45-N47 WeakPolarHBondContact OD1-CB 3.22Å; D45-N47 PolarHBondContact OD1-N 2.94Å; N47-G77 PolarHBondContact ND2-O 3.08Å; N47-V78 WeakPolarHBondContact OD1-CA 3.29Å; N47-K79 HydrophobicContact CB-CD 4.37Å; N47-K79 HydrophobicContact CB-CG 4.47Å; N47-K79 WeakPolarHBondContact OD1-CG 3.36Å; N47-K79 PolarHBondContact OD1-N 2.93Å |
| 48 | C | 86 | Confident | 82.4 | Confident | 11 Ų | 11 | 58.2 Ų | 58.2 | 7% | 0.074 | 34% | 0.338 | C | S | . | . | trans | -58.9 | 146.4 | 171.9 | 64.9 | 0 | 0 | 0 | 0 | 111.4 | E19 D45 I46 T55 | E19-C48 HydrophobicContact CB-CB 4.17Å; E19-C48 HydrophobicContact CG-CB 3.98Å; D45-C48 HydrophobicContact CB-CB 4.44Å; D45-C48 WeakPolarHBondContact O-CB 3.43Å; D45-C48 PolarHBondContact O-N 3.41Å; D45-C48 VanDerWaalsContact O-N 3.15Å; D45-C48 PolarHBondContact O-SG 2.91Å; I46-C48 VanDerWaalsContact C-N 3.35Å; C48-T55 WeakPolarHBondContact O-CA 3.37Å | ||
| 49 | T | 84.7 | Confident | 82.5 | Confident | 80 Ų | 80 | 57 Ų | 57 | 49% | 0.491 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -115.6 | 148.7 | -174.1 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | G53 R54 T55 | T49-G53 VanDerWaalsContact CG2-O 3.32Å; T49-G53 WeakPolarHBondContact CG2-O 3.23Å; T49-R54 CarbonylContact C-O 3.5Å; T49-R54 VanDerWaalsContact CA-O 3.28Å; T49-R54 WeakPolarHBondContact CA-O 3.45Å; T49-T55 HydrophobicContact CG2-CG2 3.97Å |
| 50 | D | 84 | Confident | 82.7 | Confident | 36 Ų | 36 | 49.7 Ų | 49.7 | 19% | 0.193 | 30% | 0.298 | C | S | . | . | trans | -73.8 | -175.7 | 170.1 | 78.6 | -1.7 | 0 | 0 | 0 | 112.9 | L52 G53 R54 I59 | D50-L52 PolarHBondContact O-N 2.85Å; D50-L52 VanDerWaalsContact OD1-CA 3.32Å; D50-L52 WeakPolarHBondContact OD1-CA 3.46Å; D50-L52 WeakPolarHBondContact OD1-CB 3.35Å; D50-L52 PolarHBondContact OD1-N 3.03Å; D50-G53 PolarHBondContact O-N 2.91Å; D50-G53 VanDerWaalsContact O-N 3.11Å; D50-G53 PolarHBondContact OD1-N 3.38Å; D50-R54 PolarHBondContact N-O 3.44Å; D50-R54 PolarHBondContact OD1-N 3.2Å; D50-R54 IonicContact OD1-NE 3.34Å; D50-R54 IonicContact OD2-CZ 2.64Å; D50-R54 IonicContact OD2-NE 3.97Å; D50-R54 PolarHBondContact OD2-NE 3.19Å; D50-R54 IonicContact OD2-NH2 3.72Å; D50-R54 PolarHBondContact OD2-NH2 3.5Å; D50-I59 HydrophobicContact CB-CD1 4.17Å | ||
| 51 | L | 83 | Confident | 83.2 | Confident | 181 Ų | 181 | 48.4 Ų | 48.4 | 95% | 0.948 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -10.8 | 178.8 | -67.4 | 172.6 | 0 | 0 | 0 | 114.1 | ||
| 52 | L | 78.8 | Confident | 84.1 | Confident | 138 Ų | 138 | 44.1 Ų | 44.1 | 72% | 0.723 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -3.6 | 175.5 | -56.6 | 174.8 | 0 | 0 | 0 | 111.7 | D50 R54 | D50-L52 PolarHBondContact O-N 2.85Å; D50-L52 VanDerWaalsContact OD1-CA 3.32Å; D50-L52 WeakPolarHBondContact OD1-CA 3.46Å; D50-L52 WeakPolarHBondContact OD1-CB 3.35Å; D50-L52 PolarHBondContact OD1-N 3.03Å; L52-R54 HydrophobicContact CB-CG 4.37Å |
| 53 | G | 80.9 | Confident | 85.1 | Confident | 32 Ų | 32 | 40.3 Ų | 40.3 | 33% | 0.33 | 24% | 0.24 | S | C | . | . | S | Bend | trans | 89.5 | 7.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | T49 D50 | T49-G53 VanDerWaalsContact CG2-O 3.32Å; T49-G53 WeakPolarHBondContact CG2-O 3.23Å; D50-G53 PolarHBondContact O-N 2.91Å; D50-G53 VanDerWaalsContact O-N 3.11Å; D50-G53 PolarHBondContact OD1-N 3.38Å |
| 54 | R | 83.9 | Confident | 85.8 | Confident | 40 Ų | 40 | 39.5 Ų | 39.5 | 15% | 0.151 | 22% | 0.217 | C | C | . | . | trans | -87.3 | 135.2 | -177.5 | -55 | 177.3 | -59.1 | 164.6 | 8.2 | 111.6 | T49 D50 L52 E58 I59 D62 | T49-R54 CarbonylContact C-O 3.5Å; T49-R54 VanDerWaalsContact CA-O 3.28Å; T49-R54 WeakPolarHBondContact CA-O 3.45Å; D50-R54 PolarHBondContact N-O 3.44Å; D50-R54 PolarHBondContact OD1-N 3.2Å; D50-R54 IonicContact OD1-NE 3.34Å; D50-R54 IonicContact OD2-CZ 2.64Å; D50-R54 IonicContact OD2-NE 3.97Å; D50-R54 PolarHBondContact OD2-NE 3.19Å; D50-R54 IonicContact OD2-NH2 3.72Å; D50-R54 PolarHBondContact OD2-NH2 3.5Å; L52-R54 HydrophobicContact CB-CG 4.37Å; R54-E58 HydrophobicContact CB-CB 4.44Å; R54-I59 HydrophobicContact CB-CD1 4.26Å; R54-I59 HydrophobicContact CB-CG1 3.89Å; R54-D62 IonicContact CZ-OD2 3.68Å; R54-D62 IonicContact NH1-OD2 2.72Å; R54-D62 PolarHBondContact NH1-OD2 2.94Å | ||
| 55 | T | 87.9 | Confident | 86.2 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 5% | 0.049 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -77.8 | 165 | 174.2 | 61.1 | 0 | 0 | 0 | 0 | 112.6 | C48 T49 L57 E58 I59 | C48-T55 WeakPolarHBondContact O-CA 3.37Å; T49-T55 HydrophobicContact CG2-CG2 3.97Å; T55-L57 PolarHBondContact O-N 3.34Å; T55-E58 WeakPolarHBondContact CB-OE2 3.32Å; T55-E58 WeakPolarHBondContact CG2-OE2 3.49Å; T55-E58 PolarHBondContact N-OE2 2.95Å; T55-E58 PolarHBondContact O-N 2.96Å; T55-E58 VanDerWaalsContact OG1-CD 3.26Å; T55-E58 WeakPolarHBondContact OG1-CG 3.31Å; T55-E58 PolarHBondContact OG1-N 3.47Å; T55-E58 PolarHBondContact OG1-OE2 2.75Å; T55-I59 WeakPolarHBondContact O-CG1 3.37Å; T55-I59 PolarHBondContact O-N 2.7Å |
| 56 | A | 90 | Very high | 86.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.5 | -32.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | L22 L23 A26 S60 L72 | L22-A56 HydrophobicContact CD2-CB 4.48Å; L22-A56 HydrophobicContact CG-CB 4.3Å; L23-A56 HydrophobicContact CD2-CB 4.04Å; A26-A56 HydrophobicContact CB-CB 4.43Å; A56-S60 WeakPolarHBondContact O-CB 3.29Å; A56-S60 PolarHBondContact O-N 3.39Å; A56-S60 PolarHBondContact O-OG 3.49Å; A56-L72 HydrophobicContact CB-CD1 4.38Å |
| 57 | L | 91.2 | Very high | 86.7 | Confident | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -70.6 | -46.4 | 176 | -179.6 | 64.5 | 0 | 0 | 0 | 111.4 | T55 S60 V61 V69 L72 L73 V78 V80 A83 | T55-L57 PolarHBondContact O-N 3.34Å; L57-S60 WeakPolarHBondContact O-CB 3.34Å; L57-S60 PolarHBondContact O-N 2.94Å; L57-S60 VanDerWaalsContact O-N 3.11Å; L57-V61 WeakPolarHBondContact O-CG2 3.46Å; L57-V61 PolarHBondContact O-N 3.47Å; L57-V69 HydrophobicContact CD1-CB 4.46Å; L57-V69 HydrophobicContact CD1-CG1 4.11Å; L57-V69 HydrophobicContact CD1-CG2 4.31Å; L57-L72 HydrophobicContact CB-CD1 4.21Å; L57-L72 HydrophobicContact CD1-CB 4Å; L57-L72 HydrophobicContact CD1-CD1 4.21Å; L57-L73 HydrophobicContact CD1-CG 4.43Å; L57-L73 HydrophobicContact CD2-CD2 4.21Å; L57-V78 HydrophobicContact CB-CG1 4.34Å; L57-V78 HydrophobicContact CD2-CG1 3.81Å; L57-V80 HydrophobicContact CD2-CG2 4.47Å; L57-A83 HydrophobicContact CD2-CB 3.62Å; L57-A83 HydrophobicContact CG-CB 3.8Å |
| 58 | E | 89.7 | Confident | 87 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 178.2 | -68 | 160.3 | 138.2 | 0 | 0 | 110.7 | R54 T55 S60 V61 D62 N82 A83 Y86 | R54-E58 HydrophobicContact CB-CB 4.44Å; T55-E58 WeakPolarHBondContact CB-OE2 3.32Å; T55-E58 WeakPolarHBondContact CG2-OE2 3.49Å; T55-E58 PolarHBondContact N-OE2 2.95Å; T55-E58 PolarHBondContact O-N 2.96Å; T55-E58 VanDerWaalsContact OG1-CD 3.26Å; T55-E58 WeakPolarHBondContact OG1-CG 3.31Å; T55-E58 PolarHBondContact OG1-N 3.47Å; T55-E58 PolarHBondContact OG1-OE2 2.75Å; E58-S60 PolarHBondContact O-N 2.73Å; E58-V61 PolarHBondContact O-N 3.44Å; E58-V61 VanDerWaalsContact O-N 3.09Å; E58-D62 WeakPolarHBondContact O-CB 3.36Å; E58-D62 PolarHBondContact O-N 2.99Å; E58-N82 VanDerWaalsContact OE1-CB 3.24Å; E58-N82 WeakPolarHBondContact OE1-CB 3.36Å; E58-N82 PolarHBondContact OE1-ND2 3.05Å; E58-A83 HydrophobicContact CG-CB 3.91Å; E58-Y86 HydrophobicContact CB-CD2 3.98Å; E58-Y86 HydrophobicContact CB-CE2 3.94Å; E58-Y86 HydrophobicContact CG-CD2 3.74Å; E58-Y86 HydrophobicContact CG-CE2 3.76Å |
| 59 | I | 88.4 | Confident | 87.3 | Confident | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.1 | -34 | 173.8 | -67 | 166.8 | 0 | 0 | 0 | 111.9 | L23 A26 Y27 D50 R54 T55 V61 N63 | L23-I59 HydrophobicContact CD2-CD1 3.82Å; A26-I59 HydrophobicContact CB-CG2 4.47Å; Y27-I59 HydrophobicContact CD2-CG2 4.08Å; D50-I59 HydrophobicContact CB-CD1 4.17Å; R54-I59 HydrophobicContact CB-CD1 4.26Å; R54-I59 HydrophobicContact CB-CG1 3.89Å; T55-I59 WeakPolarHBondContact O-CG1 3.37Å; T55-I59 PolarHBondContact O-N 2.7Å; I59-V61 VanDerWaalsContact C-N 3.35Å; I59-N63 WeakPolarHBondContact O-CB 3.29Å; I59-N63 PolarHBondContact O-N 3.11Å; I59-N63 PolarHBondContact O-ND2 3.27Å |
| 60 | S | 90.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -73.3 | -28.4 | 177.5 | -57.7 | 0 | 0 | 0 | 0 | 112.6 | A56 L57 E58 E64 N65 I68 | A56-S60 WeakPolarHBondContact O-CB 3.29Å; A56-S60 PolarHBondContact O-N 3.39Å; A56-S60 PolarHBondContact O-OG 3.49Å; L57-S60 WeakPolarHBondContact O-CB 3.34Å; L57-S60 PolarHBondContact O-N 2.94Å; L57-S60 VanDerWaalsContact O-N 3.11Å; E58-S60 PolarHBondContact O-N 2.73Å; S60-E64 PolarHBondContact O-N 3.41Å; S60-N65 PolarHBondContact O-N 2.99Å; S60-I68 VanDerWaalsContact OG-CG2 3.25Å; S60-I68 WeakPolarHBondContact OG-CG2 3.4Å |
| 61 | V | 90.5 | Very high | 88 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -80.3 | -45.3 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | L57 E58 I59 N63 E64 V69 A87 M95 I99 | L57-V61 WeakPolarHBondContact O-CG2 3.46Å; L57-V61 PolarHBondContact O-N 3.47Å; E58-V61 PolarHBondContact O-N 3.44Å; E58-V61 VanDerWaalsContact O-N 3.09Å; I59-V61 VanDerWaalsContact C-N 3.35Å; V61-N63 PolarHBondContact O-N 2.98Å; V61-N63 VanDerWaalsContact O-N 3.1Å; V61-E64 PolarHBondContact O-N 3.36Å; V61-V69 HydrophobicContact CG2-CG1 4.49Å; V61-V69 HydrophobicContact CG2-CG2 3.73Å; V61-A87 VanDerWaalsContact CG1-CA 3.42Å; V61-A87 HydrophobicContact CG1-CB 3.67Å; V61-A87 VanDerWaalsContact CG1-N 3.31Å; V61-M95 HydrophobicContact CB-CE 4.48Å; V61-M95 HydrophobicContact CB-SD 4.37Å; V61-M95 HydrophobicContact CG1-CE 4.03Å; V61-M95 HydrophobicContact CG1-SD 4.42Å; V61-M95 HydrophobicContact CG2-SD 4.14Å; V61-M95 WeakPolarHBondContact O-CE 3.4Å; V61-I99 HydrophobicContact CG2-CD1 4.23Å |
| 62 | D | 87.8 | Confident | 88.4 | Confident | 48 Ų | 48 | 28.7 Ų | 28.7 | 26% | 0.257 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -57.3 | -19 | 172.8 | -170.9 | 68.3 | 0 | 0 | 0 | 112.8 | R54 E58 | R54-D62 IonicContact CZ-OD2 3.68Å; R54-D62 IonicContact NH1-OD2 2.72Å; R54-D62 PolarHBondContact NH1-OD2 2.94Å; E58-D62 WeakPolarHBondContact O-CB 3.36Å; E58-D62 PolarHBondContact O-N 2.99Å |
| 63 | N | 85.7 | Confident | 89 | Confident | 21 Ų | 21 | 23.2 Ų | 23.2 | 11% | 0.112 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | 14.1 | 176.6 | -77.8 | -69.1 | 0 | 0 | 0 | 113.3 | I59 V61 N65 Q748 | I59-N63 WeakPolarHBondContact O-CB 3.29Å; I59-N63 PolarHBondContact O-N 3.11Å; I59-N63 PolarHBondContact O-ND2 3.27Å; V61-N63 PolarHBondContact O-N 2.98Å; V61-N63 VanDerWaalsContact O-N 3.1Å; N63-N65 PolarHBondContact O-N 2.79Å; N63-N65 PolarHBondContact O-ND2 2.93Å; N63-Q748 HydrophobicContact CB-CG 4.03Å |
| 64 | E | 86.5 | Confident | 89.4 | Confident | 54 Ų | 54 | 27.7 Ų | 27.7 | 25% | 0.252 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 17.5 | -178.5 | -58.7 | -140.6 | -178.2 | 0 | 0 | 117.1 | S60 V61 V66 V92 M95 E745 | S60-E64 PolarHBondContact O-N 3.41Å; V61-E64 PolarHBondContact O-N 3.36Å; E64-V66 VanDerWaalsContact C-N 3.3Å; E64-V66 WeakPolarHBondContact O-CG2 3.18Å; E64-V66 PolarHBondContact O-N 3.45Å; E64-V92 HydrophobicContact CG-CG2 3.93Å; E64-V92 WeakPolarHBondContact OE1-CG2 3.46Å; E64-V92 WeakPolarHBondContact OE2-CG2 3.36Å; E64-M95 HydrophobicContact CB-CE 4.35Å; E64-M95 HydrophobicContact CG-CE 4.31Å; E64-E745 HydrophobicContact CG-CG 4.34Å |
| 65 | N | 88.8 | Confident | 89.5 | Confident | 10 Ų | 10 | 28.4 Ų | 28.4 | 5% | 0.053 | 14% | 0.137 | C | C | . | . | trans | -78.7 | 72.7 | -171.7 | -94.2 | -107.7 | 0 | 0 | 0 | 112.6 | G29 S60 N63 E67 I68 V69 Q748 | G29-N65 VanDerWaalsContact CA-OD1 3.25Å; G29-N65 WeakPolarHBondContact CA-OD1 3.23Å; S60-N65 PolarHBondContact O-N 2.99Å; N63-N65 PolarHBondContact O-N 2.79Å; N63-N65 PolarHBondContact O-ND2 2.93Å; N65-E67 PolarHBondContact O-N 2.89Å; N65-E67 VanDerWaalsContact O-N 3.1Å; N65-I68 HydrophobicContact CB-CB 4.26Å; N65-I68 HydrophobicContact CB-CD1 4.21Å; N65-I68 HydrophobicContact CB-CG1 4.3Å; N65-I68 PolarHBondContact O-N 2.96Å; N65-V69 PolarHBondContact O-N 3.27Å; N65-Q748 WeakPolarHBondContact ND2-CG 3.33Å | ||
| 66 | V | 90.2 | Very high | 89.2 | Confident | 27 Ų | 27 | 33.2 Ų | 33.2 | 16% | 0.164 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -51.8 | -38.4 | -173.8 | -169.3 | 0 | 0 | 0 | 0 | 113.3 | E64 V69 E70 K94 M95 M98 | E64-V66 VanDerWaalsContact C-N 3.3Å; E64-V66 WeakPolarHBondContact O-CG2 3.18Å; E64-V66 PolarHBondContact O-N 3.45Å; V66-V69 PolarHBondContact O-N 3.38Å; V66-E70 PolarHBondContact O-N 2.84Å; V66-K94 HydrophobicContact CG1-CD 3.84Å; V66-K94 HydrophobicContact CG1-CG 4.17Å; V66-M95 HydrophobicContact CG1-CG 4.44Å; V66-M95 HydrophobicContact CG2-CG 3.98Å; V66-M95 HydrophobicContact CG2-SD 4.44Å; V66-M98 HydrophobicContact CG1-CE 3.78Å; V66-M98 HydrophobicContact CG1-SD 3.47Å; V66-M98 WeakPolarHBondContact CG1-SD 3.42Å |
| 67 | E | 88.7 | Confident | 88.8 | Confident | 91 Ų | 91 | 36.2 Ų | 36.2 | 43% | 0.425 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.7 | -37.1 | -179.4 | -56.9 | -127.6 | 149.4 | 0 | 0 | 112.6 | K31 N65 E70 L71 | K31-E67 HydrophobicContact CD-CB 4.25Å; K31-E67 WeakPolarHBondContact CE-OE2 3.46Å; K31-E67 IonicContact NZ-OE2 3.02Å; K31-E67 PolarHBondContact NZ-OE2 3.23Å; N65-E67 PolarHBondContact O-N 2.89Å; N65-E67 VanDerWaalsContact O-N 3.1Å; E67-E70 PolarHBondContact O-N 2.95Å; E67-L71 WeakPolarHBondContact O-CG 3.25Å; E67-L71 PolarHBondContact O-N 2.84Å; E67-L71 VanDerWaalsContact O-N 3.15Å |
| 68 | I | 90.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.3 | -38.7 | 176.7 | -58.4 | -176.5 | 0 | 0 | 0 | 109.8 | K31 V34 S60 N65 E70 L71 L72 | K31-I68 HydrophobicContact CB-CG1 4.44Å; V34-I68 HydrophobicContact CG1-CG2 4.19Å; V34-I68 HydrophobicContact CG2-CD1 4.36Å; V34-I68 HydrophobicContact CG2-CG2 4.15Å; S60-I68 VanDerWaalsContact OG-CG2 3.25Å; S60-I68 WeakPolarHBondContact OG-CG2 3.4Å; N65-I68 HydrophobicContact CB-CB 4.26Å; N65-I68 HydrophobicContact CB-CD1 4.21Å; N65-I68 HydrophobicContact CB-CG1 4.3Å; N65-I68 PolarHBondContact O-N 2.96Å; I68-E70 VanDerWaalsContact C-N 3.32Å; I68-E70 PolarHBondContact O-N 3.38Å; I68-L71 PolarHBondContact O-N 3.28Å; I68-L71 VanDerWaalsContact O-N 3.16Å; I68-L72 HydrophobicContact CG2-CD1 3.93Å; I68-L72 HydrophobicContact CG2-CG 4.31Å; I68-L72 WeakPolarHBondContact O-CG 3.36Å; I68-L72 PolarHBondContact O-N 3.22Å |
| 69 | V | 91.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.1 | -41.6 | 171.2 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | L57 V61 N65 V66 L71 L72 L73 M95 M98 | L57-V69 HydrophobicContact CD1-CB 4.46Å; L57-V69 HydrophobicContact CD1-CG1 4.11Å; L57-V69 HydrophobicContact CD1-CG2 4.31Å; V61-V69 HydrophobicContact CG2-CG1 4.49Å; V61-V69 HydrophobicContact CG2-CG2 3.73Å; N65-V69 PolarHBondContact O-N 3.27Å; V66-V69 PolarHBondContact O-N 3.38Å; V69-L71 VanDerWaalsContact C-N 3.33Å; V69-L71 PolarHBondContact O-N 3.18Å; V69-L72 PolarHBondContact O-N 3.09Å; V69-L73 HydrophobicContact CG1-CD1 3.71Å; V69-L73 HydrophobicContact CG1-CG 4.24Å; V69-L73 WeakPolarHBondContact O-CB 3.21Å; V69-L73 VanDerWaalsContact O-CG 3.25Å; V69-L73 WeakPolarHBondContact O-CG 3.44Å; V69-L73 PolarHBondContact O-N 2.92Å; V69-M95 HydrophobicContact CG2-SD 3.86Å; V69-M98 HydrophobicContact CB-CE 4.44Å; V69-M98 HydrophobicContact CG1-CE 4.13Å |
| 70 | E | 92.2 | Very high | 88.1 | Confident | 91 Ų | 91 | 40 Ų | 40 | 43% | 0.425 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.8 | -32.9 | 175.6 | -153.5 | -164.8 | 121.5 | 0 | 0 | 113.1 | V66 E67 I68 K74 M98 | V66-E70 PolarHBondContact O-N 2.84Å; E67-E70 PolarHBondContact O-N 2.95Å; I68-E70 VanDerWaalsContact C-N 3.32Å; I68-E70 PolarHBondContact O-N 3.38Å; E70-K74 WeakPolarHBondContact O-CD 3.28Å; E70-K74 VanDerWaalsContact O-CE 3.27Å; E70-K74 WeakPolarHBondContact O-CE 3.4Å; E70-K74 VanDerWaalsContact O-CG 3.28Å; E70-K74 WeakPolarHBondContact O-CG 3.42Å; E70-K74 WeakPolarHBondContact OE1-CE 3.11Å; E70-K74 IonicContact OE1-NZ 3.78Å; E70-K74 PolarHBondContact OE1-NZ 3.46Å; E70-M98 HydrophobicContact CB-CE 3.6Å; E70-M98 HydrophobicContact CG-CE 3.91Å |
| 71 | L | 90.6 | Very high | 87.8 | Confident | 28 Ų | 28 | 40.1 Ų | 40.1 | 15% | 0.147 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -74 | -40.8 | 176.3 | -73.9 | 168.1 | 0 | 0 | 0 | 112.6 | K31 E35 E67 I68 V69 K74 | K31-L71 HydrophobicContact CD-CD1 4.34Å; K31-L71 HydrophobicContact CG-CD1 3.6Å; E35-L71 HydrophobicContact CG-CD1 3.64Å; E35-L71 HydrophobicContact CG-CD2 4.03Å; E35-L71 HydrophobicContact CG-CG 4.48Å; E67-L71 WeakPolarHBondContact O-CG 3.25Å; E67-L71 PolarHBondContact O-N 2.84Å; E67-L71 VanDerWaalsContact O-N 3.15Å; I68-L71 PolarHBondContact O-N 3.28Å; I68-L71 VanDerWaalsContact O-N 3.16Å; V69-L71 VanDerWaalsContact C-N 3.33Å; V69-L71 PolarHBondContact O-N 3.18Å; L71-K74 PolarHBondContact O-N 3.09Å |
| 72 | L | 91.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.5 | -42.6 | 178.7 | -69.5 | 171.6 | 0 | 0 | 0 | 111.5 | L38 I46 A56 L57 I68 V69 K74 Q75 | L38-L72 HydrophobicContact CD1-CD2 4.12Å; L38-L72 HydrophobicContact CD2-CD2 4.35Å; I46-L72 HydrophobicContact CG2-CD2 3.95Å; A56-L72 HydrophobicContact CB-CD1 4.38Å; L57-L72 HydrophobicContact CB-CD1 4.21Å; L57-L72 HydrophobicContact CD1-CB 4Å; L57-L72 HydrophobicContact CD1-CD1 4.21Å; I68-L72 HydrophobicContact CG2-CD1 3.93Å; I68-L72 HydrophobicContact CG2-CG 4.31Å; I68-L72 WeakPolarHBondContact O-CG 3.36Å; I68-L72 PolarHBondContact O-N 3.22Å; V69-L72 PolarHBondContact O-N 3.09Å; L72-K74 PolarHBondContact O-N 3.01Å; L72-K74 VanDerWaalsContact O-N 3.09Å; L72-Q75 WeakPolarHBondContact O-CB 3.46Å; L72-Q75 PolarHBondContact O-N 2.85Å |
| 73 | L | 91.2 | Very high | 87.4 | Confident | 24 Ų | 24 | 38.2 Ų | 38.2 | 13% | 0.126 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -10.6 | 177.5 | -71.4 | 174 | 0 | 0 | 0 | 114.6 | L57 V69 V80 M98 I99 | L57-L73 HydrophobicContact CD1-CG 4.43Å; L57-L73 HydrophobicContact CD2-CD2 4.21Å; V69-L73 HydrophobicContact CG1-CD1 3.71Å; V69-L73 HydrophobicContact CG1-CG 4.24Å; V69-L73 WeakPolarHBondContact O-CB 3.21Å; V69-L73 VanDerWaalsContact O-CG 3.25Å; V69-L73 WeakPolarHBondContact O-CG 3.44Å; V69-L73 PolarHBondContact O-N 2.92Å; L73-V80 HydrophobicContact CD2-CG1 3.97Å; L73-V80 HydrophobicContact CD2-CG2 4.15Å; L73-M98 HydrophobicContact CD1-CB 4.16Å; L73-I99 HydrophobicContact CD1-CG1 3.94Å; L73-I99 HydrophobicContact CD2-CG1 4.41Å |
| 74 | K | 89.1 | Confident | 87.6 | Confident | 126 Ų | 126 | 37.2 Ų | 37.2 | 55% | 0.548 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -12.7 | 172.2 | -72.8 | 163.2 | -170.9 | 160.3 | 0 | 113.4 | E70 L71 L72 | E70-K74 WeakPolarHBondContact O-CD 3.28Å; E70-K74 VanDerWaalsContact O-CE 3.27Å; E70-K74 WeakPolarHBondContact O-CE 3.4Å; E70-K74 VanDerWaalsContact O-CG 3.28Å; E70-K74 WeakPolarHBondContact O-CG 3.42Å; E70-K74 WeakPolarHBondContact OE1-CE 3.11Å; E70-K74 IonicContact OE1-NZ 3.78Å; E70-K74 PolarHBondContact OE1-NZ 3.46Å; L71-K74 PolarHBondContact O-N 3.09Å; L72-K74 PolarHBondContact O-N 3.01Å; L72-K74 VanDerWaalsContact O-N 3.09Å |
| 75 | Q | 86.4 | Confident | 87.7 | Confident | 55 Ų | 55 | 34.7 Ų | 34.7 | 26% | 0.257 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -86.4 | 142.1 | -176 | -57.9 | -62.1 | -22.2 | 0 | 0 | 111.9 | L38 I46 L72 V78 | L38-Q75 HydrophobicContact CD1-CG 4.17Å; L38-Q75 HydrophobicContact CD2-CG 4.11Å; I46-Q75 HydrophobicContact CD1-CB 3.68Å; I46-Q75 HydrophobicContact CD1-CG 4.19Å; L72-Q75 WeakPolarHBondContact O-CB 3.46Å; L72-Q75 PolarHBondContact O-N 2.85Å; Q75-V78 HydrophobicContact CB-CG2 3.83Å |
| 76 | P | 82.8 | Confident | 87.7 | Confident | 109 Ų | 109 | 35 Ų | 35 | 71% | 0.708 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | 135 | 178.8 | 29.7 | -34.3 | 0 | 0 | 0 | 111.4 | ||
| 77 | G | 81.1 | Confident | 87.8 | Confident | 62 Ų | 62 | 33.7 Ų | 33.7 | 64% | 0.639 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.5 | 13.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | N47 | N47-G77 PolarHBondContact ND2-O 3.08Š|
| 78 | V | 84.9 | Confident | 87.9 | Confident | 13 Ų | 13 | 29.3 Ų | 29.3 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | trans | -67.2 | 137.2 | 171.2 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | I46 N47 L57 Q75 V80 | I46-V78 HydrophobicContact CB-CG2 4.36Å; I46-V78 HydrophobicContact CD1-CG2 4.4Å; I46-V78 HydrophobicContact CG2-CG2 3.68Å; N47-V78 WeakPolarHBondContact OD1-CA 3.29Å; L57-V78 HydrophobicContact CB-CG1 4.34Å; L57-V78 HydrophobicContact CD2-CG1 3.81Å; Q75-V78 HydrophobicContact CB-CG2 3.83Å; V78-V80 WeakPolarHBondContact O-CG2 3.26Å | ||
| 79 | K | 84.3 | Confident | 87.9 | Confident | 80 Ų | 80 | 33.9 Ų | 33.9 | 35% | 0.348 | 18% | 0.179 | S | C | . | . | trans | -76.5 | 123.9 | 172.2 | -64.3 | -179.2 | -173.9 | -164.7 | 0 | 109.4 | N47 E121 | N47-K79 HydrophobicContact CB-CD 4.37Å; N47-K79 HydrophobicContact CB-CG 4.47Å; N47-K79 WeakPolarHBondContact OD1-CG 3.36Å; N47-K79 PolarHBondContact OD1-N 2.93Å; K79-E121 WeakPolarHBondContact CD-O 3.45Å; K79-E121 WeakPolarHBondContact CE-O 3.39Å; K79-E121 PolarHBondContact NZ-O 3.39Å | ||
| 80 | V | 85.9 | Confident | 87.6 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | trans | -119.1 | -20.3 | -169.8 | -168.4 | 0 | 0 | 0 | 0 | 112.3 | L57 L73 V78 A83 L84 I99 E121 | L57-V80 HydrophobicContact CD2-CG2 4.47Å; L73-V80 HydrophobicContact CD2-CG1 3.97Å; L73-V80 HydrophobicContact CD2-CG2 4.15Å; V78-V80 WeakPolarHBondContact O-CG2 3.26Å; V80-A83 PolarHBondContact O-N 3.08Å; V80-L84 PolarHBondContact O-N 2.86Å; V80-L84 VanDerWaalsContact O-N 3.14Å; V80-I99 HydrophobicContact CG1-CG2 3.55Å; V80-E121 PolarHBondContact N-OE2 3.17Å | ||
| 81 | C | 82 | Confident | 87.4 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58 | -57.6 | -174.8 | -88.9 | 0 | 0 | 0 | 0 | 113.4 | A83 L84 W114 R117 L118 E121 | C81-A83 VanDerWaalsContact C-N 3.33Å; C81-A83 PolarHBondContact O-N 2.99Å; C81-L84 WeakPolarHBondContact O-CB 3.28Å; C81-L84 PolarHBondContact O-N 3.26Å; C81-L84 VanDerWaalsContact O-N 3.12Å; C81-W114 HydrophobicContact CB-CH2 3.7Å; C81-W114 HydrophobicContact CB-CZ2 3.86Å; C81-W114 HydrophobicContact CB-CZ3 4.28Å; C81-W114 WeakPolarHBondContact O-CH2 3.36Å; C81-W114 WeakPolarHBondContact O-CZ2 3.34Å; C81-W114 VanDerWaalsContact SG-CH2 3.58Å; C81-W114 VanDerWaalsContact SG-CZ3 3.53Å; C81-R117 WeakPolarHBondContact SG-CD 3.27Å; C81-R117 PolarHBondContact SG-NE 3.34Å; C81-R117 VanDerWaalsContact SG-NE 3.4Å; C81-L118 HydrophobicContact CB-CD1 4.07Å; C81-E121 WeakPolarHBondContact CB-OE2 3.37Å; C81-E121 PolarHBondContact N-OE2 3.15Å |
| 82 | N | 83.9 | Confident | 87.3 | Confident | 8 Ų | 8 | 33.4 Ų | 33.4 | 4% | 0.043 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.4 | -32 | -175.3 | -162.6 | 52.5 | 0 | 0 | 0 | 112.3 | E58 L84 L85 Y86 L118 N122 | E58-N82 VanDerWaalsContact OE1-CB 3.24Å; E58-N82 WeakPolarHBondContact OE1-CB 3.36Å; E58-N82 PolarHBondContact OE1-ND2 3.05Å; N82-L84 VanDerWaalsContact C-N 3.26Å; N82-L84 PolarHBondContact O-N 3.39Å; N82-L85 WeakPolarHBondContact O-CA 3.37Å; N82-L85 WeakPolarHBondContact O-CB 3.35Å; N82-L85 PolarHBondContact O-N 3.02Å; N82-Y86 WeakPolarHBondContact ND2-CE2 3.41Å; N82-Y86 WeakPolarHBondContact O-CD2 3.47Å; N82-Y86 PolarHBondContact O-N 2.82Å; N82-L118 HydrophobicContact CB-CD1 4.17Å; N82-N122 WeakPolarHBondContact CB-ND2 3.21Å |
| 83 | A | 87.4 | Confident | 87.2 | Confident | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.6 | -29.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114 | L57 E58 V80 C81 L85 A87 | L57-A83 HydrophobicContact CD2-CB 3.62Å; L57-A83 HydrophobicContact CG-CB 3.8Å; E58-A83 HydrophobicContact CG-CB 3.91Å; V80-A83 PolarHBondContact O-N 3.08Å; C81-A83 VanDerWaalsContact C-N 3.33Å; C81-A83 PolarHBondContact O-N 2.99Å; A83-L85 VanDerWaalsContact C-N 3.32Å; A83-A87 WeakPolarHBondContact O-CB 3.23Å; A83-A87 PolarHBondContact O-N 3.47Å |
| 84 | L | 89.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.1 | -32.1 | 171.2 | 179.9 | 56.9 | 0 | 0 | 0 | 112.1 | V80 C81 N82 A87 I88 V96 I99 L100 I105 L110 W114 P134 | V80-L84 PolarHBondContact O-N 2.86Å; V80-L84 VanDerWaalsContact O-N 3.14Å; C81-L84 WeakPolarHBondContact O-CB 3.28Å; C81-L84 PolarHBondContact O-N 3.26Å; C81-L84 VanDerWaalsContact O-N 3.12Å; N82-L84 VanDerWaalsContact C-N 3.26Å; N82-L84 PolarHBondContact O-N 3.39Å; L84-A87 PolarHBondContact O-N 3.41Å; L84-I88 HydrophobicContact CD1-CD1 3.85Å; L84-I88 HydrophobicContact CD1-CG1 4.11Å; L84-I88 HydrophobicContact CG-CD1 3.92Å; L84-I88 WeakPolarHBondContact O-CB 3.25Å; L84-I88 WeakPolarHBondContact O-CD1 3.45Å; L84-I88 VanDerWaalsContact O-CG1 3.22Å; L84-I88 WeakPolarHBondContact O-CG1 3.29Å; L84-I88 PolarHBondContact O-N 3.37Å; L84-V96 HydrophobicContact CD1-CG1 4.06Å; L84-I99 HydrophobicContact CB-CG2 3.83Å; L84-I99 HydrophobicContact CD1-CB 4.39Å; L84-I99 HydrophobicContact CD1-CG2 3.82Å; L84-I99 HydrophobicContact CG-CG2 4.25Å; L84-L100 HydrophobicContact CD1-CD2 4.29Å; L84-L100 HydrophobicContact CD1-CG 4.28Å; L84-L100 HydrophobicContact CD2-CD2 3.87Å; L84-I105 HydrophobicContact CD2-CD1 4.1Å; L84-L110 HydrophobicContact CD2-CD2 3.78Å; L84-W114 HydrophobicContact CB-CH2 4.13Å; L84-W114 HydrophobicContact CD2-CH2 3.91Å; L84-W114 HydrophobicContact CD2-CZ3 4.24Å; L84-W114 HydrophobicContact CG-CH2 4.46Å; L84-P134 HydrophobicContact CD2-CB 4Å; L84-P134 HydrophobicContact CD2-CG 3.79Å; L84-P134 HydrophobicContact CG-CB 4.35Å; L84-P134 HydrophobicContact CG-CG 4.31Å |
| 85 | L | 89 | Confident | 87.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.8 | -43.6 | 176.5 | -58.4 | -179 | 0 | 0 | 0 | 110.8 | N82 A83 I88 R89 W114 Y128 P134 L137 | N82-L85 WeakPolarHBondContact O-CA 3.37Å; N82-L85 WeakPolarHBondContact O-CB 3.35Å; N82-L85 PolarHBondContact O-N 3.02Å; A83-L85 VanDerWaalsContact C-N 3.32Å; L85-I88 CarbonylContact O-C 3.6Å; L85-I88 PolarHBondContact O-N 2.97Å; L85-R89 WeakPolarHBondContact O-CB 3.14Å; L85-R89 PolarHBondContact O-N 2.85Å; L85-W114 HydrophobicContact CD1-CZ2 4.4Å; L85-W114 HydrophobicContact CD2-CZ2 3.97Å; L85-W114 HydrophobicContact CG-CZ2 3.97Å; L85-Y128 HydrophobicContact CB-CD2 3.78Å; L85-Y128 HydrophobicContact CB-CE2 3.8Å; L85-Y128 HydrophobicContact CD1-CD2 3.69Å; L85-Y128 HydrophobicContact CD1-CG 4.03Å; L85-Y128 HydrophobicContact CG-CD2 4.37Å; L85-P134 HydrophobicContact CD2-CB 4.44Å; L85-P134 HydrophobicContact CD2-CG 4Å; L85-L137 HydrophobicContact CB-CD2 3.91Å; L85-L137 HydrophobicContact CD2-CD2 3.95Å; L85-L137 HydrophobicContact CG-CD2 4.49Å; L85-L137 WeakPolarHBondContact O-CD2 3.47Å |
| 86 | Y | 88 | Confident | 87.6 | Confident | 16 Ų | 16 | 32.6 Ų | 32.6 | 6% | 0.063 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 170.4 | -71.3 | -81.4 | 0 | 0 | 0 | 112.2 | E58 N82 I88 R89 E90 | E58-Y86 HydrophobicContact CB-CD2 3.98Å; E58-Y86 HydrophobicContact CB-CE2 3.94Å; E58-Y86 HydrophobicContact CG-CD2 3.74Å; E58-Y86 HydrophobicContact CG-CE2 3.76Å; N82-Y86 WeakPolarHBondContact ND2-CE2 3.41Å; N82-Y86 WeakPolarHBondContact O-CD2 3.47Å; N82-Y86 PolarHBondContact O-N 2.82Å; Y86-I88 PolarHBondContact O-N 2.59Å; Y86-R89 VanDerWaalsContact O-CB 3.31Å; Y86-R89 WeakPolarHBondContact O-CB 3.48Å; Y86-R89 PolarHBondContact O-N 3.03Å; Y86-E90 PolarHBondContact O-N 3.31Å; Y86-E90 VanDerWaalsContact O-N 3.07Å |
| 87 | A | 91.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.5 | -29.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V61 A83 L84 G91 V92 M95 V96 I99 | V61-A87 VanDerWaalsContact CG1-CA 3.42Å; V61-A87 HydrophobicContact CG1-CB 3.67Å; V61-A87 VanDerWaalsContact CG1-N 3.31Å; A83-A87 WeakPolarHBondContact O-CB 3.23Å; A83-A87 PolarHBondContact O-N 3.47Å; L84-A87 PolarHBondContact O-N 3.41Å; A87-G91 PolarHBondContact O-N 3.1Å; A87-V92 PolarHBondContact O-N 3.45Å; A87-M95 HydrophobicContact CB-CB 4.36Å; A87-V96 VanDerWaalsContact C-CG2 3.46Å; A87-V96 HydrophobicContact CB-CG2 3.69Å; A87-V96 WeakPolarHBondContact O-CG2 3.49Å; A87-I99 HydrophobicContact CB-CD1 3.66Å |
| 88 | I | 92.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -78.9 | -31.9 | 172.7 | -68.9 | 171 | 0 | 0 | 0 | 111.3 | L84 L85 Y86 V96 P134 L137 A138 L141 Q143 I146 L150 | L84-I88 HydrophobicContact CD1-CD1 3.85Å; L84-I88 HydrophobicContact CD1-CG1 4.11Å; L84-I88 HydrophobicContact CG-CD1 3.92Å; L84-I88 WeakPolarHBondContact O-CB 3.25Å; L84-I88 WeakPolarHBondContact O-CD1 3.45Å; L84-I88 VanDerWaalsContact O-CG1 3.22Å; L84-I88 WeakPolarHBondContact O-CG1 3.29Å; L84-I88 PolarHBondContact O-N 3.37Å; L85-I88 CarbonylContact O-C 3.6Å; L85-I88 PolarHBondContact O-N 2.97Å; Y86-I88 PolarHBondContact O-N 2.59Å; I88-V96 HydrophobicContact CG1-CG1 4.28Å; I88-V96 HydrophobicContact CG1-CG2 3.9Å; I88-P134 HydrophobicContact CD1-CB 3.6Å; I88-L137 HydrophobicContact CB-CD2 4.3Å; I88-L137 HydrophobicContact CG2-CB 4.24Å; I88-L137 HydrophobicContact CG2-CD2 4.04Å; I88-L137 HydrophobicContact CG2-CG 3.92Å; I88-A138 HydrophobicContact CG2-CB 3.83Å; I88-L141 HydrophobicContact CG2-CD1 4.26Å; I88-L141 VanDerWaalsContact O-CD1 3.32Å; I88-L141 WeakPolarHBondContact O-CD1 3.46Å; I88-Q143 PolarHBondContact O-NE2 2.64Å; I88-Q143 PolarHBondContact O-OE1 2.87Å; I88-I146 HydrophobicContact CD1-CG2 4.47Å; I88-I146 HydrophobicContact CG1-CG2 3.94Å; I88-I146 HydrophobicContact CG2-CG2 4.3Å; I88-L150 HydrophobicContact CD1-CD1 4.08Å |
| 89 | R | 90.4 | Very high | 88.8 | Confident | 96 Ų | 96 | 29 Ų | 29 | 36% | 0.362 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -60.2 | -57.7 | 175 | 179.8 | -171.6 | 159.2 | 146.2 | -4.5 | 111.1 | L85 Y86 G91 E127 Y128 Q143 | L85-R89 WeakPolarHBondContact O-CB 3.14Å; L85-R89 PolarHBondContact O-N 2.85Å; Y86-R89 VanDerWaalsContact O-CB 3.31Å; Y86-R89 WeakPolarHBondContact O-CB 3.48Å; Y86-R89 PolarHBondContact O-N 3.03Å; R89-G91 VanDerWaalsContact C-N 3.27Å; R89-G91 PolarHBondContact O-N 3.45Å; R89-E127 IonicContact CZ-OE1 2.68Å; R89-E127 IonicContact NH1-OE1 3.94Å; R89-E127 PolarHBondContact NH1-OE1 3.13Å; R89-E127 IonicContact NH1-OE2 2.96Å; R89-E127 PolarHBondContact NH1-OE2 2.87Å; R89-Y128 WeakPolarHBondContact CD-OH 3.44Å; R89-Q143 PolarHBondContact O-NE2 2.87Å |
| 90 | E | 86.1 | Confident | 89 | Confident | 60 Ų | 60 | 25.7 Ų | 25.7 | 28% | 0.28 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -68.9 | -28.7 | -179.6 | -48.3 | -31.9 | 120.9 | 0 | 0 | 111.7 | Y86 V92 | Y86-E90 PolarHBondContact O-N 3.31Å; Y86-E90 VanDerWaalsContact O-N 3.07Å; E90-V92 HydrophobicContact CB-CG2 4.2Å |
| 91 | G | 86.7 | Confident | 89.1 | Confident | 27 Ų | 27 | 30.1 Ų | 30.1 | 28% | 0.278 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | 11.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A87 R89 F93 Q143 I146 | A87-G91 PolarHBondContact O-N 3.1Å; R89-G91 VanDerWaalsContact C-N 3.27Å; R89-G91 PolarHBondContact O-N 3.45Å; G91-F93 PolarHBondContact O-N 3.46Å; G91-Q143 VanDerWaalsContact CA-NE2 3.31Å; G91-I146 VanDerWaalsContact CA-CD1 3.49Å; G91-I146 VanDerWaalsContact O-CD1 3.22Å; G91-I146 WeakPolarHBondContact O-CD1 3.41Å |
| 92 | V | 87.9 | Confident | 89.2 | Confident | 22 Ų | 22 | 31.2 Ų | 31.2 | 13% | 0.133 | 15% | 0.151 | C | C | . | . | trans | -73.7 | 97.2 | -175.8 | -169.2 | 0 | 0 | 0 | 0 | 111.6 | E64 A87 E90 K94 M95 V96 | E64-V92 HydrophobicContact CG-CG2 3.93Å; E64-V92 WeakPolarHBondContact OE1-CG2 3.46Å; E64-V92 WeakPolarHBondContact OE2-CG2 3.36Å; A87-V92 PolarHBondContact O-N 3.45Å; E90-V92 HydrophobicContact CB-CG2 4.2Å; V92-K94 PolarHBondContact O-N 3.19Å; V92-K94 VanDerWaalsContact O-N 3.1Å; V92-M95 HydrophobicContact CB-CB 4.3Å; V92-M95 HydrophobicContact CB-CE 3.59Å; V92-M95 HydrophobicContact CB-CG 4.39Å; V92-M95 HydrophobicContact CG1-CB 4.32Å; V92-M95 HydrophobicContact CG1-CE 3.92Å; V92-M95 HydrophobicContact CG1-CG 4.03Å; V92-M95 HydrophobicContact CG2-CE 3.56Å; V92-M95 PolarHBondContact O-N 2.62Å; V92-M95 VanDerWaalsContact O-N 3.09Å; V92-V96 PolarHBondContact O-N 3.15Å; V92-V96 VanDerWaalsContact O-N 3.08Å | ||
| 93 | F | 91.1 | Very high | 89.1 | Confident | 74 Ų | 74 | 38.7 Ų | 38.7 | 33% | 0.325 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -47.3 | -44.1 | -178.7 | -176.5 | -84.1 | 0 | 0 | 0 | 113.5 | G91 V96 E97 E145 L149 | G91-F93 PolarHBondContact O-N 3.46Å; F93-V96 PolarHBondContact O-N 3.12Å; F93-E97 HydrophobicContact CE1-CB 4.38Å; F93-E97 WeakPolarHBondContact O-CB 3.47Å; F93-E97 PolarHBondContact O-N 2.87Å; F93-E145 HydrophobicContact CD2-CB 3.87Å; F93-E145 HydrophobicContact CE2-CB 4.34Å; F93-L149 HydrophobicContact CD2-CD2 4.44Å; F93-L149 HydrophobicContact CE2-CB 3.96Å; F93-L149 HydrophobicContact CE2-CD2 3.95Å; F93-L149 HydrophobicContact CE2-CG 4.44Å; F93-L149 HydrophobicContact CZ-CB 4.44Å; F93-L149 HydrophobicContact CZ-CD1 4.4Å; F93-L149 HydrophobicContact CZ-CD2 4Å |
| 94 | K | 91.5 | Very high | 88.7 | Confident | 115 Ų | 115 | 39.9 Ų | 39.9 | 50% | 0.5 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.9 | -42.3 | -177.3 | -174.1 | 179.4 | 171.8 | -158.5 | 0 | 112.4 | V66 V92 E97 M98 | V66-K94 HydrophobicContact CG1-CD 3.84Å; V66-K94 HydrophobicContact CG1-CG 4.17Å; V92-K94 PolarHBondContact O-N 3.19Å; V92-K94 VanDerWaalsContact O-N 3.1Å; K94-E97 PolarHBondContact O-N 2.67Å; K94-M98 HydrophobicContact CG-SD 3.94Å; K94-M98 WeakPolarHBondContact O-CB 3.37Å; K94-M98 VanDerWaalsContact O-CG 3.27Å; K94-M98 WeakPolarHBondContact O-CG 3.5Å; K94-M98 PolarHBondContact O-N 2.94Å |
| 95 | M | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.2 | -41.7 | 177 | -69.1 | -162.1 | -69.3 | 0 | 0 | 111.4 | V61 E64 V66 V69 A87 V92 E97 M98 I99 | V61-M95 HydrophobicContact CB-CE 4.48Å; V61-M95 HydrophobicContact CB-SD 4.37Å; V61-M95 HydrophobicContact CG1-CE 4.03Å; V61-M95 HydrophobicContact CG1-SD 4.42Å; V61-M95 HydrophobicContact CG2-SD 4.14Å; V61-M95 WeakPolarHBondContact O-CE 3.4Å; E64-M95 HydrophobicContact CB-CE 4.35Å; E64-M95 HydrophobicContact CG-CE 4.31Å; V66-M95 HydrophobicContact CG1-CG 4.44Å; V66-M95 HydrophobicContact CG2-CG 3.98Å; V66-M95 HydrophobicContact CG2-SD 4.44Å; V69-M95 HydrophobicContact CG2-SD 3.86Å; A87-M95 HydrophobicContact CB-CB 4.36Å; V92-M95 HydrophobicContact CB-CB 4.3Å; V92-M95 HydrophobicContact CB-CE 3.59Å; V92-M95 HydrophobicContact CB-CG 4.39Å; V92-M95 HydrophobicContact CG1-CB 4.32Å; V92-M95 HydrophobicContact CG1-CE 3.92Å; V92-M95 HydrophobicContact CG1-CG 4.03Å; V92-M95 HydrophobicContact CG2-CE 3.56Å; V92-M95 PolarHBondContact O-N 2.62Å; V92-M95 VanDerWaalsContact O-N 3.09Å; M95-E97 VanDerWaalsContact C-N 3.33Å; M95-E97 PolarHBondContact O-N 3.22Å; M95-M98 PolarHBondContact O-N 2.8Å; M95-I99 WeakPolarHBondContact O-CB 3.25Å; M95-I99 VanDerWaalsContact O-CG1 3.29Å; M95-I99 WeakPolarHBondContact O-CG1 3.39Å; M95-I99 PolarHBondContact O-N 3.03Å |
| 96 | V | 92.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.1 | -42.6 | 174.3 | 176.6 | 0 | 0 | 0 | 0 | 111.2 | L84 A87 I88 V92 F93 I99 L100 I146 L149 | L84-V96 HydrophobicContact CD1-CG1 4.06Å; A87-V96 VanDerWaalsContact C-CG2 3.46Å; A87-V96 HydrophobicContact CB-CG2 3.69Å; A87-V96 WeakPolarHBondContact O-CG2 3.49Å; I88-V96 HydrophobicContact CG1-CG1 4.28Å; I88-V96 HydrophobicContact CG1-CG2 3.9Å; V92-V96 PolarHBondContact O-N 3.15Å; V92-V96 VanDerWaalsContact O-N 3.08Å; F93-V96 PolarHBondContact O-N 3.12Å; V96-I99 PolarHBondContact O-N 3.35Å; V96-L100 HydrophobicContact CG1-CD1 3.68Å; V96-L100 HydrophobicContact CG1-CG 4.18Å; V96-L100 VanDerWaalsContact O-CB 3.26Å; V96-L100 WeakPolarHBondContact O-CB 3.49Å; V96-L100 WeakPolarHBondContact O-CG 3.32Å; V96-L100 PolarHBondContact O-N 2.64Å; V96-I146 HydrophobicContact CB-CD1 4.48Å; V96-I146 HydrophobicContact CB-CG1 4.27Å; V96-I146 HydrophobicContact CG1-CG1 4.29Å; V96-I146 HydrophobicContact CG1-CG2 4.29Å; V96-I146 HydrophobicContact CG2-CD1 3.79Å; V96-I146 HydrophobicContact CG2-CG1 4.09Å; V96-L149 HydrophobicContact CG1-CD2 4.13Å |
| 97 | E | 92.5 | Very high | 87.1 | Confident | 73 Ų | 73 | 46.9 Ų | 46.9 | 34% | 0.341 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 175.5 | 179.6 | 164.5 | -134 | 0 | 0 | 112.7 | F93 K94 M95 I99 L100 N101 L149 | F93-E97 HydrophobicContact CE1-CB 4.38Å; F93-E97 WeakPolarHBondContact O-CB 3.47Å; F93-E97 PolarHBondContact O-N 2.87Å; K94-E97 PolarHBondContact O-N 2.67Å; M95-E97 VanDerWaalsContact C-N 3.33Å; M95-E97 PolarHBondContact O-N 3.22Å; E97-I99 VanDerWaalsContact C-N 3.34Å; E97-I99 PolarHBondContact O-N 2.82Å; E97-L100 PolarHBondContact O-N 3.06Å; E97-N101 WeakPolarHBondContact O-CB 3.46Å; E97-N101 PolarHBondContact O-N 3.44Å; E97-N101 PolarHBondContact O-ND2 3.43Å; E97-N101 VanDerWaalsContact O-ND2 3.14Å; E97-L149 HydrophobicContact CB-CD2 3.92Å |
| 98 | M | 90.1 | Very high | 86.2 | Confident | 35 Ų | 35 | 54.7 Ų | 54.7 | 17% | 0.172 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.5 | -43.9 | 176.8 | -75 | 165.6 | 49.4 | 0 | 0 | 111.9 | V66 V69 E70 L73 K94 M95 N101 | V66-M98 HydrophobicContact CG1-CE 3.78Å; V66-M98 HydrophobicContact CG1-SD 3.47Å; V66-M98 WeakPolarHBondContact CG1-SD 3.42Å; V69-M98 HydrophobicContact CB-CE 4.44Å; V69-M98 HydrophobicContact CG1-CE 4.13Å; E70-M98 HydrophobicContact CB-CE 3.6Å; E70-M98 HydrophobicContact CG-CE 3.91Å; L73-M98 HydrophobicContact CD1-CB 4.16Å; K94-M98 HydrophobicContact CG-SD 3.94Å; K94-M98 WeakPolarHBondContact O-CB 3.37Å; K94-M98 VanDerWaalsContact O-CG 3.27Å; K94-M98 WeakPolarHBondContact O-CG 3.5Å; K94-M98 PolarHBondContact O-N 2.94Å; M95-M98 PolarHBondContact O-N 2.8Å; M98-N101 PolarHBondContact O-N 3.09Å |
| 99 | I | 90.7 | Very high | 85.4 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.5 | -47 | 176.1 | -71.1 | 167.4 | 0 | 0 | 0 | 111 | V61 L73 V80 L84 A87 M95 V96 E97 N101 H102 I105 | V61-I99 HydrophobicContact CG2-CD1 4.23Å; L73-I99 HydrophobicContact CD1-CG1 3.94Å; L73-I99 HydrophobicContact CD2-CG1 4.41Å; V80-I99 HydrophobicContact CG1-CG2 3.55Å; L84-I99 HydrophobicContact CB-CG2 3.83Å; L84-I99 HydrophobicContact CD1-CB 4.39Å; L84-I99 HydrophobicContact CD1-CG2 3.82Å; L84-I99 HydrophobicContact CG-CG2 4.25Å; A87-I99 HydrophobicContact CB-CD1 3.66Å; M95-I99 WeakPolarHBondContact O-CB 3.25Å; M95-I99 VanDerWaalsContact O-CG1 3.29Å; M95-I99 WeakPolarHBondContact O-CG1 3.39Å; M95-I99 PolarHBondContact O-N 3.03Å; V96-I99 PolarHBondContact O-N 3.35Å; E97-I99 VanDerWaalsContact C-N 3.34Å; E97-I99 PolarHBondContact O-N 2.82Å; I99-N101 PolarHBondContact O-N 3Å; I99-N101 VanDerWaalsContact O-N 3.15Å; I99-H102 WeakPolarHBondContact O-CB 3.41Å; I99-H102 PolarHBondContact O-N 3.05Å; I99-I105 HydrophobicContact CG2-CD1 3.94Å; I99-I105 WeakPolarHBondContact O-CD1 3.38Å |
| 100 | L | 89.1 | Confident | 84.9 | Confident | 10 Ų | 10 | 51.2 Ų | 51.2 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.2 | -12.7 | 178.3 | -72.4 | 175.1 | 0 | 0 | 0 | 114.2 | L84 V96 E97 I105 L110 L149 L150 R153 | L84-L100 HydrophobicContact CD1-CD2 4.29Å; L84-L100 HydrophobicContact CD1-CG 4.28Å; L84-L100 HydrophobicContact CD2-CD2 3.87Å; V96-L100 HydrophobicContact CG1-CD1 3.68Å; V96-L100 HydrophobicContact CG1-CG 4.18Å; V96-L100 VanDerWaalsContact O-CB 3.26Å; V96-L100 WeakPolarHBondContact O-CB 3.49Å; V96-L100 WeakPolarHBondContact O-CG 3.32Å; V96-L100 PolarHBondContact O-N 2.64Å; E97-L100 PolarHBondContact O-N 3.06Å; L100-I105 HydrophobicContact CD2-CD1 4.43Å; L100-I105 HydrophobicContact CD2-CG2 4.26Å; L100-L110 HydrophobicContact CD2-CD1 3.95Å; L100-L110 HydrophobicContact CD2-CD2 3.7Å; L100-L110 HydrophobicContact CD2-CG 4.48Å; L100-L149 HydrophobicContact CD1-CD2 3.89Å; L100-L149 HydrophobicContact CD1-CG 3.91Å; L100-L150 HydrophobicContact CD1-CD2 3.76Å; L100-L150 HydrophobicContact CD1-CG 4.42Å; L100-L150 HydrophobicContact CD2-CD2 3.93Å; L100-L150 HydrophobicContact CG-CD2 4.47Å; L100-R153 PolarHBondContact O-NH1 3.28Å |
| 101 | N | 87.7 | Confident | 84.4 | Confident | 95 Ų | 95 | 48.7 Ų | 48.7 | 51% | 0.508 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -8.8 | 171.1 | -68.6 | -23.6 | 0 | 0 | 0 | 113 | E97 M98 I99 H103 R153 | E97-N101 WeakPolarHBondContact O-CB 3.46Å; E97-N101 PolarHBondContact O-N 3.44Å; E97-N101 PolarHBondContact O-ND2 3.43Å; E97-N101 VanDerWaalsContact O-ND2 3.14Å; M98-N101 PolarHBondContact O-N 3.09Å; I99-N101 PolarHBondContact O-N 3Å; I99-N101 VanDerWaalsContact O-N 3.15Å; N101-H103 PolarHBondContact O-N 3.01Å; N101-R153 VanDerWaalsContact OD1-CZ 3.28Å; N101-R153 PolarHBondContact OD1-NH1 3.45Å; N101-R153 PolarHBondContact OD1-NH2 3.49Å |
| 102 | H | 84 | Confident | 83.7 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 11% | 0.106 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -69.6 | 130.3 | 177.6 | -175 | -104.4 | 0 | 0 | 0 | 111.4 | I99 S104 I105 | I99-H102 WeakPolarHBondContact O-CB 3.41Å; I99-H102 PolarHBondContact O-N 3.05Å; H102-S104 PolarHBondContact CE1-OG 3.27Å; H102-S104 WeakPolarHBondContact ND1-CB 3.27Å; H102-S104 PolarHBondContact ND1-OG 2.86Å; H102-S104 PolarHBondContact O-N 2.85Å; H102-I105 PolarHBondContact O-N 3.29Å; H102-I105 VanDerWaalsContact O-N 3.12Å |
| 103 | H | 81.6 | Confident | 83 | Confident | 166 Ų | 166 | 50.2 Ų | 50.2 | 77% | 0.769 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -13.5 | -172.9 | 70.5 | -43.7 | 0 | 0 | 0 | 116.8 | N101 | N101-H103 PolarHBondContact O-N 3.01Š|
| 104 | S | 79 | Confident | 82.4 | Confident | 25 Ų | 25 | 46.8 Ų | 46.8 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -25.1 | 178.6 | 70.7 | 0 | 0 | 0 | 0 | 113.6 | H102 R117 | H102-S104 PolarHBondContact CE1-OG 3.27Å; H102-S104 WeakPolarHBondContact ND1-CB 3.27Å; H102-S104 PolarHBondContact ND1-OG 2.86Å; H102-S104 PolarHBondContact O-N 2.85Å; S104-R117 PolarHBondContact O-NH1 3.45Å |
| 105 | I | 81.2 | Confident | 81.4 | Confident | 25 Ų | 25 | 43.1 Ų | 43.1 | 13% | 0.128 | 24% | 0.237 | C | C | . | . | trans | -89.2 | 127.6 | -170.1 | -62.5 | 178.5 | 0 | 0 | 0 | 110.9 | L84 I99 L100 H102 L110 | L84-I105 HydrophobicContact CD2-CD1 4.1Å; I99-I105 HydrophobicContact CG2-CD1 3.94Å; I99-I105 WeakPolarHBondContact O-CD1 3.38Å; L100-I105 HydrophobicContact CD2-CD1 4.43Å; L100-I105 HydrophobicContact CD2-CG2 4.26Å; H102-I105 PolarHBondContact O-N 3.29Å; H102-I105 VanDerWaalsContact O-N 3.12Å; I105-L110 HydrophobicContact CG2-CD1 4.12Å; I105-L110 HydrophobicContact CG2-CD2 3.75Å; I105-L110 HydrophobicContact CG2-CG 3.86Å | ||
| 106 | T | 78 | Confident | 80.4 | Confident | 65 Ų | 65 | 46.7 Ų | 46.7 | 40% | 0.399 | 27% | 0.266 | S | S | . | . | trans | -115.5 | 152.9 | 175.4 | 72.3 | 0 | 0 | 0 | 0 | 110.7 | E108 T109 L110 | T106-E108 PolarHBondContact O-N 3.12Å; T106-E108 VanDerWaalsContact O-N 3.16Å; T106-T109 PolarHBondContact N-OG1 3.08Å; T106-T109 VanDerWaalsContact N-OG1 3.09Å; T106-T109 PolarHBondContact O-N 3.4Å; T106-T109 PolarHBondContact O-OG1 2.89Å; T106-T109 WeakPolarHBondContact OG1-CG2 3.49Å; T106-T109 PolarHBondContact OG1-N 2.96Å; T106-T109 PolarHBondContact OG1-OG1 3.16Å; T106-L110 PolarHBondContact O-N 3.48Å | ||
| 107 | P | 74.5 | Confident | 79.4 | Confident | 73 Ų | 73 | 49.7 Ų | 49.7 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -32.6 | -177.4 | 22.3 | -35.2 | 0 | 0 | 0 | 113.6 | L110 R153 | P107-L110 PolarHBondContact O-N 2.7Å; P107-R153 WeakPolarHBondContact CB-O 3.49Å |
| 108 | E | 73.1 | Confident | 78.3 | Confident | 165 Ų | 165 | 46.2 Ų | 46.2 | 77% | 0.771 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -33.4 | 177.6 | -58.4 | -168.6 | 155.8 | 0 | 0 | 112.6 | T106 L110 G111 G113 | T106-E108 PolarHBondContact O-N 3.12Å; T106-E108 VanDerWaalsContact O-N 3.16Å; E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 3.26Å; E108-G111 PolarHBondContact O-N 3Å; E108-G113 PolarHBondContact O-N 2.98Å |
| 109 | T | 75.4 | Confident | 77.2 | Confident | 20 Ų | 20 | 48.1 Ų | 48.1 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -27.1 | 175.9 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | T106 G111 W114 | T106-T109 PolarHBondContact N-OG1 3.08Å; T106-T109 VanDerWaalsContact N-OG1 3.09Å; T106-T109 PolarHBondContact O-N 3.4Å; T106-T109 PolarHBondContact O-OG1 2.89Å; T106-T109 WeakPolarHBondContact OG1-CG2 3.49Å; T106-T109 PolarHBondContact OG1-N 2.96Å; T106-T109 PolarHBondContact OG1-OG1 3.16Å; T109-G111 PolarHBondContact O-N 3.2Å; T109-W114 WeakPolarHBondContact O-CA 3.46Å; T109-W114 VanDerWaalsContact O-CB 3.24Å; T109-W114 WeakPolarHBondContact O-CB 3.28Å; T109-W114 PolarHBondContact O-N 3.01Å; T109-W114 VanDerWaalsContact O-N 3.12Å |
| 110 | L | 78.5 | Confident | 76 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -11.3 | 178.1 | -66.8 | 172.2 | 0 | 0 | 0 | 114.2 | L84 L100 I105 T106 P107 E108 P134 I135 L150 R153 A155 | L84-L110 HydrophobicContact CD2-CD2 3.78Å; L100-L110 HydrophobicContact CD2-CD1 3.95Å; L100-L110 HydrophobicContact CD2-CD2 3.7Å; L100-L110 HydrophobicContact CD2-CG 4.48Å; I105-L110 HydrophobicContact CG2-CD1 4.12Å; I105-L110 HydrophobicContact CG2-CD2 3.75Å; I105-L110 HydrophobicContact CG2-CG 3.86Å; T106-L110 PolarHBondContact O-N 3.48Å; P107-L110 PolarHBondContact O-N 2.7Å; E108-L110 VanDerWaalsContact C-N 3.29Å; E108-L110 PolarHBondContact O-N 3.26Å; L110-P134 HydrophobicContact CD2-CB 4.21Å; L110-P134 HydrophobicContact CD2-CG 4.1Å; L110-I135 WeakPolarHBondContact O-CG2 3.11Å; L110-L150 HydrophobicContact CD1-CD2 4.23Å; L110-L150 HydrophobicContact CD2-CD2 4.18Å; L110-R153 HydrophobicContact CD1-CB 4.37Å; L110-A155 HydrophobicContact CB-CB 3.6Å; L110-A155 HydrophobicContact CD1-CB 4.16Å |
| 111 | G | 77.2 | Confident | 74.8 | Confident | 6 Ų | 6 | 53.4 Ų | 53.4 | 6% | 0.062 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -130.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | E108 T109 G113 W114 S133 | E108-G111 PolarHBondContact O-N 3Å; T109-G111 PolarHBondContact O-N 3.2Å; G111-G113 PolarHBondContact O-N 2.79Å; G111-G113 VanDerWaalsContact O-N 3.15Å; G111-W114 WeakPolarHBondContact O-CB 3.42Å; G111-W114 PolarHBondContact O-N 3.1Å; G111-S133 WeakPolarHBondContact O-CB 3.34Å |
| 112 | D | 72 | Confident | 73.6 | Confident | 49 Ų | 49 | 50.4 Ų | 50.4 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20 | 179.2 | -73.4 | -68 | 0 | 0 | 0 | 114.6 | W114 R158 R184 | D112-W114 PolarHBondContact O-N 3.02Å; D112-R158 WeakPolarHBondContact OD2-CB 3.31Å; D112-R158 WeakPolarHBondContact OD2-CD 3.17Å; D112-R158 WeakPolarHBondContact OD2-CG 3.26Å; D112-R158 IonicContact OD2-CZ 3.22Å; D112-R158 IonicContact OD2-NE 2.78Å; D112-R158 PolarHBondContact OD2-NE 3.41Å; D112-R184 IonicContact OD1-CZ 2.75Å; D112-R184 IonicContact OD1-NH2 3.82Å; D112-R184 PolarHBondContact OD1-NH2 3.36Å |
| 113 | G | 72 | Confident | 72.6 | Confident | 32 Ų | 32 | 51.3 Ų | 51.3 | 33% | 0.33 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -6.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E108 G111 | E108-G113 PolarHBondContact O-N 2.98Å; G111-G113 PolarHBondContact O-N 2.79Å; G111-G113 VanDerWaalsContact O-N 3.15Å |
| 114 | W | 79.2 | Confident | 71.5 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.008 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.2 | -45.7 | -174.1 | -172.5 | -110.1 | 0 | 0 | 0 | 113.2 | C81 L84 L85 T109 G111 D112 A116 R117 L118 I132 P134 | C81-W114 HydrophobicContact CB-CH2 3.7Å; C81-W114 HydrophobicContact CB-CZ2 3.86Å; C81-W114 HydrophobicContact CB-CZ3 4.28Å; C81-W114 WeakPolarHBondContact O-CH2 3.36Å; C81-W114 WeakPolarHBondContact O-CZ2 3.34Å; C81-W114 VanDerWaalsContact SG-CH2 3.58Å; C81-W114 VanDerWaalsContact SG-CZ3 3.53Å; L84-W114 HydrophobicContact CB-CH2 4.13Å; L84-W114 HydrophobicContact CD2-CH2 3.91Å; L84-W114 HydrophobicContact CD2-CZ3 4.24Å; L84-W114 HydrophobicContact CG-CH2 4.46Å; L85-W114 HydrophobicContact CD1-CZ2 4.4Å; L85-W114 HydrophobicContact CD2-CZ2 3.97Å; L85-W114 HydrophobicContact CG-CZ2 3.97Å; T109-W114 WeakPolarHBondContact O-CA 3.46Å; T109-W114 VanDerWaalsContact O-CB 3.24Å; T109-W114 WeakPolarHBondContact O-CB 3.28Å; T109-W114 PolarHBondContact O-N 3.01Å; T109-W114 VanDerWaalsContact O-N 3.12Å; G111-W114 WeakPolarHBondContact O-CB 3.42Å; G111-W114 PolarHBondContact O-N 3.1Å; D112-W114 PolarHBondContact O-N 3.02Å; W114-A116 PolarHBondContact O-N 2.98Å; W114-R117 WeakPolarHBondContact O-CA 3.29Å; W114-R117 WeakPolarHBondContact O-CB 3.21Å; W114-R117 PolarHBondContact O-N 2.88Å; W114-L118 HydrophobicContact CZ2-CD1 4.31Å; W114-L118 PolarHBondContact O-N 2.94Å; W114-I132 VanDerWaalsContact CD1-O 3.24Å; W114-P134 HydrophobicContact CD2-CG 3.76Å; W114-P134 HydrophobicContact CE3-CG 3.73Å; W114-P134 HydrophobicContact CG-CG 4.49Å; W114-P134 HydrophobicContact CH2-CG 3.57Å; W114-P134 HydrophobicContact CZ2-CG 3.63Å; W114-P134 HydrophobicContact CZ3-CG 3.64Å |
| 115 | S | 70.5 | Confident | 70.5 | Confident | 39 Ų | 39 | 57 Ų | 57 | 27% | 0.273 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.9 | -48.2 | -172.3 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | R117 L118 V119 S130 | S115-R117 PolarHBondContact O-N 3.31Å; S115-L118 PolarHBondContact O-N 3.33Å; S115-V119 WeakPolarHBondContact O-CG2 3.39Å; S115-V119 PolarHBondContact O-N 3.45Å; S115-V119 VanDerWaalsContact O-N 3.07Å; S115-S130 WeakPolarHBondContact CB-O 3.12Å |
| 116 | A | 70.1 | Confident | 69.7 | Low | 74 Ų | 74 | 58.7 Ų | 58.7 | 61% | 0.612 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.4 | -30.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W114 A120 | W114-A116 PolarHBondContact O-N 2.98Å; A116-A120 WeakPolarHBondContact O-CB 3.32Å; A116-A120 PolarHBondContact O-N 3.39Å |
| 117 | R | 71 | Confident | 69.3 | Low | 64 Ų | 64 | 60.3 Ų | 60.3 | 24% | 0.242 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -81.1 | -43.8 | 177.1 | -173.2 | 177.9 | -178.7 | 113.7 | 21.8 | 112.5 | C81 S104 W114 S115 V119 A120 E121 | C81-R117 WeakPolarHBondContact SG-CD 3.27Å; C81-R117 PolarHBondContact SG-NE 3.34Å; C81-R117 VanDerWaalsContact SG-NE 3.4Å; S104-R117 PolarHBondContact O-NH1 3.45Å; W114-R117 WeakPolarHBondContact O-CA 3.29Å; W114-R117 WeakPolarHBondContact O-CB 3.21Å; W114-R117 PolarHBondContact O-N 2.88Å; S115-R117 PolarHBondContact O-N 3.31Å; R117-V119 VanDerWaalsContact C-N 3.29Å; R117-V119 PolarHBondContact O-N 3.33Å; R117-A120 WeakPolarHBondContact O-CB 3.44Å; R117-A120 PolarHBondContact O-N 2.91Å; R117-A120 VanDerWaalsContact O-N 3.07Å; R117-E121 IonicContact CZ-OE1 3.13Å; R117-E121 IonicContact NE-OE1 2.99Å; R117-E121 PolarHBondContact NE-OE1 3.45Å; R117-E121 IonicContact NH2-OE1 2.84Å; R117-E121 PolarHBondContact NH2-OE1 3.16Å; R117-E121 PolarHBondContact O-N 3.2Å |
| 118 | L | 69.4 | Low | 69.2 | Low | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58 | -44.8 | 178.1 | -167.6 | 76.8 | 0 | 0 | 0 | 110.5 | C81 N82 W114 S115 A120 E121 N122 F126 | C81-L118 HydrophobicContact CB-CD1 4.07Å; N82-L118 HydrophobicContact CB-CD1 4.17Å; W114-L118 HydrophobicContact CZ2-CD1 4.31Å; W114-L118 PolarHBondContact O-N 2.94Å; S115-L118 PolarHBondContact O-N 3.33Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 2.9Å; L118-E121 PolarHBondContact O-N 3.4Å; L118-N122 PolarHBondContact O-N 2.94Å; L118-F126 HydrophobicContact CB-CE1 4.49Å; L118-F126 HydrophobicContact CD2-CD1 3.72Å; L118-F126 HydrophobicContact CD2-CE1 3.93Å; L118-F126 HydrophobicContact CD2-CG 4.4Å; L118-F126 HydrophobicContact CG-CD1 3.82Å; L118-F126 HydrophobicContact CG-CE1 3.7Å |
| 119 | V | 67.5 | Low | 69.1 | Low | 74 Ų | 74 | 53 Ų | 53 | 45% | 0.448 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -39.3 | 174.2 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | S115 R117 G123 F126 | S115-V119 WeakPolarHBondContact O-CG2 3.39Å; S115-V119 PolarHBondContact O-N 3.45Å; S115-V119 VanDerWaalsContact O-N 3.07Å; R117-V119 VanDerWaalsContact C-N 3.29Å; R117-V119 PolarHBondContact O-N 3.33Å; V119-G123 PolarHBondContact O-N 3.43Å; V119-G123 VanDerWaalsContact O-N 3.16Å; V119-F126 HydrophobicContact CG2-CZ 3.95Å |
| 120 | A | 64 | Low | 69.1 | Low | 85 Ų | 85 | 53.8 Ų | 53.8 | 70% | 0.702 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -70.4 | -29.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | A116 R117 L118 | A116-A120 WeakPolarHBondContact O-CB 3.32Å; A116-A120 PolarHBondContact O-N 3.39Å; R117-A120 WeakPolarHBondContact O-CB 3.44Å; R117-A120 PolarHBondContact O-N 2.91Å; R117-A120 VanDerWaalsContact O-N 3.07Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 2.9Å |
| 121 | E | 65.6 | Low | 69.1 | Low | 36 Ų | 36 | 54.4 Ų | 54.4 | 17% | 0.168 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -86.6 | -39.3 | 177.9 | -71.4 | -175.3 | -159.8 | 0 | 0 | 112.9 | K79 V80 C81 R117 L118 | K79-E121 WeakPolarHBondContact CD-O 3.45Å; K79-E121 WeakPolarHBondContact CE-O 3.39Å; K79-E121 PolarHBondContact NZ-O 3.39Å; V80-E121 PolarHBondContact N-OE2 3.17Å; C81-E121 WeakPolarHBondContact CB-OE2 3.37Å; C81-E121 PolarHBondContact N-OE2 3.15Å; R117-E121 IonicContact CZ-OE1 3.13Å; R117-E121 IonicContact NE-OE1 2.99Å; R117-E121 PolarHBondContact NE-OE1 3.45Å; R117-E121 IonicContact NH2-OE1 2.84Å; R117-E121 PolarHBondContact NH2-OE1 3.16Å; R117-E121 PolarHBondContact O-N 3.2Å; L118-E121 PolarHBondContact O-N 3.4Å |
| 122 | N | 61.8 | Low | 69.5 | Low | 33 Ų | 33 | 55 Ų | 55 | 18% | 0.176 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -116.4 | -9 | -167.2 | -80.6 | 21.1 | 0 | 0 | 0 | 117 | N82 L118 E124 F126 | N82-N122 WeakPolarHBondContact CB-ND2 3.21Å; L118-N122 PolarHBondContact O-N 2.94Å; N122-E124 PolarHBondContact O-N 3.44Å; N122-F126 HydrophobicContact CB-CD1 4.14Å; N122-F126 HydrophobicContact CB-CE1 3.82Å |
| 123 | G | 63.4 | Low | 70.3 | Confident | 41 Ų | 41 | 53 Ų | 53 | 42% | 0.423 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -111.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V119 F126 | V119-G123 PolarHBondContact O-N 3.43Å; V119-G123 VanDerWaalsContact O-N 3.16Å; G123-F126 WeakPolarHBondContact O-CE2 3.12Å; G123-F126 WeakPolarHBondContact O-CZ 3.39Å |
| 124 | E | 58.3 | Low | 71.2 | Confident | 183 Ų | 183 | 51.5 Ų | 51.5 | 86% | 0.855 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.1 | -10 | 177.8 | -65.6 | -176.2 | 161.9 | 0 | 0 | 113.3 | N122 F126 | N122-E124 PolarHBondContact O-N 3.44Å; E124-F126 WeakPolarHBondContact O-CD2 3.17Å; E124-F126 PolarHBondContact O-N 3.42Å |
| 125 | N | 58.1 | Low | 71.8 | Confident | 127 Ų | 127 | 51.4 Ų | 51.4 | 68% | 0.679 | 30% | 0.302 | S | S | * | . | trans | -87.1 | 99.6 | -177.2 | -70.4 | -7.4 | 0 | 0 | 0 | 110.5 | ||||
| 126 | F | 64.9 | Low | 72.9 | Confident | 62 Ų | 62 | 49.9 Ų | 49.9 | 27% | 0.272 | 29% | 0.291 | S | S | . | . | trans | -131.9 | 142.9 | 175.4 | -42.1 | -74.5 | 0 | 0 | 0 | 111.1 | L118 V119 N122 G123 E124 Y128 | L118-F126 HydrophobicContact CB-CE1 4.49Å; L118-F126 HydrophobicContact CD2-CD1 3.72Å; L118-F126 HydrophobicContact CD2-CE1 3.93Å; L118-F126 HydrophobicContact CD2-CG 4.4Å; L118-F126 HydrophobicContact CG-CD1 3.82Å; L118-F126 HydrophobicContact CG-CE1 3.7Å; V119-F126 HydrophobicContact CG2-CZ 3.95Å; N122-F126 HydrophobicContact CB-CD1 4.14Å; N122-F126 HydrophobicContact CB-CE1 3.82Å; G123-F126 WeakPolarHBondContact O-CE2 3.12Å; G123-F126 WeakPolarHBondContact O-CZ 3.39Å; E124-F126 WeakPolarHBondContact O-CD2 3.17Å; E124-F126 PolarHBondContact O-N 3.42Å; F126-Y128 WeakPolarHBondContact CB-O 3.17Å | ||
| 127 | E | 69.4 | Low | 74 | Confident | 99 Ų | 99 | 46.8 Ų | 46.8 | 46% | 0.463 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -77.1 | -40.2 | 162.5 | -172.3 | -176.6 | -140.6 | 0 | 0 | 110.4 | R89 | R89-E127 IonicContact CZ-OE1 2.68Å; R89-E127 IonicContact NH1-OE1 3.94Å; R89-E127 PolarHBondContact NH1-OE1 3.13Å; R89-E127 IonicContact NH1-OE2 2.96Å; R89-E127 PolarHBondContact NH1-OE2 2.87Å |
| 128 | Y | 70.8 | Confident | 75.1 | Confident | 34 Ų | 34 | 43.7 Ų | 43.7 | 13% | 0.133 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -93.6 | 141.8 | -179.2 | -68.8 | -76.5 | 0 | 0 | 0 | 112.7 | L85 R89 F126 I132 L137 | L85-Y128 HydrophobicContact CB-CD2 3.78Å; L85-Y128 HydrophobicContact CB-CE2 3.8Å; L85-Y128 HydrophobicContact CD1-CD2 3.69Å; L85-Y128 HydrophobicContact CD1-CG 4.03Å; L85-Y128 HydrophobicContact CG-CD2 4.37Å; R89-Y128 WeakPolarHBondContact CD-OH 3.44Å; F126-Y128 WeakPolarHBondContact CB-O 3.17Å; Y128-I132 HydrophobicContact CD1-CD1 4.13Å; Y128-L137 HydrophobicContact CD1-CD1 4.44Å; Y128-L137 HydrophobicContact CE1-CD1 3.79Å; Y128-L137 HydrophobicContact CE1-CD2 4.18Å; Y128-L137 HydrophobicContact CE2-CD2 4.34Å |
| 129 | A | 72.2 | Confident | 76.3 | Confident | 50 Ų | 50 | 43.7 Ų | 43.7 | 41% | 0.413 | 25% | 0.252 | S | S | . | . | trans | -61.1 | 143.2 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | D131 I132 | A129-D131 WeakPolarHBondContact CB-OD1 3.32Å; A129-D131 PolarHBondContact O-N 3Å; A129-I132 HydrophobicContact CB-CD1 4.38Å; A129-I132 PolarHBondContact O-N 3.41Å | ||
| 130 | S | 74.4 | Confident | 77.5 | Confident | 36 Ų | 36 | 41.7 Ų | 41.7 | 25% | 0.252 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -8.3 | -169.3 | 60.7 | 0 | 0 | 0 | 0 | 114.9 | S115 | S115-S130 WeakPolarHBondContact CB-O 3.12Š|
| 131 | D | 78.6 | Confident | 78.9 | Confident | 17 Ų | 17 | 41.2 Ų | 41.2 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -10.8 | 174 | 68.5 | -51.6 | 0 | 0 | 0 | 114.1 | A129 L180 R184 N187 | A129-D131 WeakPolarHBondContact CB-OD1 3.32Å; A129-D131 PolarHBondContact O-N 3Å; D131-L180 HydrophobicContact CB-CD1 4.2Å; D131-R184 HydrophobicContact CB-CB 3.72Å; D131-R184 HydrophobicContact CB-CG 4.01Å; D131-R184 WeakPolarHBondContact OD2-CA 3.31Å; D131-R184 PolarHBondContact OD2-N 3.35Å; D131-N187 WeakPolarHBondContact OD2-CB 3.4Å; D131-N187 PolarHBondContact OD2-ND2 2.94Å |
| 132 | I | 86.7 | Confident | 80.2 | Confident | 19 Ų | 19 | 41.3 Ų | 41.3 | 10% | 0.097 | 23% | 0.225 | C | C | . | . | trans | -87.2 | 112.8 | 179 | -58.1 | 174.9 | 0 | 0 | 0 | 109.8 | W114 Y128 A129 I136 L137 | W114-I132 VanDerWaalsContact CD1-O 3.24Å; Y128-I132 HydrophobicContact CD1-CD1 4.13Å; A129-I132 HydrophobicContact CB-CD1 4.38Å; A129-I132 PolarHBondContact O-N 3.41Å; I132-I136 HydrophobicContact CG2-CG2 4.34Å; I132-L137 HydrophobicContact CG2-CB 3.89Å; I132-L137 HydrophobicContact CG2-CD1 4.43Å | ||
| 133 | S | 88.6 | Confident | 81.6 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | trans | -96.5 | 162.6 | 170.7 | 67.4 | 0 | 0 | 0 | 0 | 112.2 | G111 I135 I136 L137 | G111-S133 WeakPolarHBondContact O-CB 3.34Å; S133-I135 VanDerWaalsContact C-N 3.25Å; S133-I135 PolarHBondContact O-N 2.97Å; S133-I136 WeakPolarHBondContact O-CA 3.08Å; S133-I136 WeakPolarHBondContact O-CB 3.36Å; S133-I136 PolarHBondContact O-N 3.45Å; S133-I136 WeakPolarHBondContact OG-CD1 3.41Å; S133-I136 WeakPolarHBondContact OG-CG1 3.25Å; S133-L137 PolarHBondContact O-N 3.09Å | ||
| 134 | P | 90.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -53.3 | -39.9 | -178.1 | -31.3 | 38 | 0 | 0 | 0 | 113.7 | L84 L85 I88 L110 W114 L137 A138 L150 | L84-P134 HydrophobicContact CD2-CB 4Å; L84-P134 HydrophobicContact CD2-CG 3.79Å; L84-P134 HydrophobicContact CG-CB 4.35Å; L84-P134 HydrophobicContact CG-CG 4.31Å; L85-P134 HydrophobicContact CD2-CB 4.44Å; L85-P134 HydrophobicContact CD2-CG 4Å; I88-P134 HydrophobicContact CD1-CB 3.6Å; L110-P134 HydrophobicContact CD2-CB 4.21Å; L110-P134 HydrophobicContact CD2-CG 4.1Å; W114-P134 HydrophobicContact CD2-CG 3.76Å; W114-P134 HydrophobicContact CE3-CG 3.73Å; W114-P134 HydrophobicContact CG-CG 4.49Å; W114-P134 HydrophobicContact CH2-CG 3.57Å; W114-P134 HydrophobicContact CZ2-CG 3.63Å; W114-P134 HydrophobicContact CZ3-CG 3.64Å; P134-L137 PolarHBondContact O-N 3.49Å; P134-A138 WeakPolarHBondContact O-CB 3.42Å; P134-A138 PolarHBondContact O-N 2.78Å; P134-L150 HydrophobicContact CB-CD2 4.48Å |
| 135 | I | 92.2 | Very high | 84.6 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73.4 | -27.9 | 177.7 | -164.2 | 171.6 | 0 | 0 | 0 | 113.2 | L110 S133 A139 L147 L151 A155 I157 W197 | L110-I135 WeakPolarHBondContact O-CG2 3.11Å; S133-I135 VanDerWaalsContact C-N 3.25Å; S133-I135 PolarHBondContact O-N 2.97Å; I135-A139 VanDerWaalsContact O-CB 3.24Å; I135-A139 WeakPolarHBondContact O-CB 3.36Å; I135-A139 PolarHBondContact O-N 3.14Å; I135-L147 HydrophobicContact CG1-CD1 3.87Å; I135-L151 HydrophobicContact CD1-CD2 4.25Å; I135-A155 VanDerWaalsContact CD1-C 3.43Å; I135-A155 HydrophobicContact CD1-CB 3.74Å; I135-A155 WeakPolarHBondContact CD1-O 3.47Å; I135-I157 HydrophobicContact CD1-CG1 4.27Å; I135-I157 HydrophobicContact CG1-CD1 4.34Å; I135-I157 HydrophobicContact CG1-CG1 4.17Å; I135-I157 HydrophobicContact CG2-CD1 4.34Å; I135-I157 HydrophobicContact CG2-CG1 3.7Å; I135-W197 HydrophobicContact CD1-CH2 4.06Å; I135-W197 HydrophobicContact CD1-CZ3 3.63Å; I135-W197 HydrophobicContact CG1-CZ3 3.85Å |
| 136 | I | 93.2 | Very high | 86.2 | Confident | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.9 | -46.3 | 172.4 | -70.5 | 173.8 | 0 | 0 | 0 | 109.4 | I132 S133 A139 H140 I157 N187 T188 A191 | I132-I136 HydrophobicContact CG2-CG2 4.34Å; S133-I136 WeakPolarHBondContact O-CA 3.08Å; S133-I136 WeakPolarHBondContact O-CB 3.36Å; S133-I136 PolarHBondContact O-N 3.45Å; S133-I136 WeakPolarHBondContact OG-CD1 3.41Å; S133-I136 WeakPolarHBondContact OG-CG1 3.25Å; I136-A139 PolarHBondContact O-N 3.49Å; I136-H140 VanDerWaalsContact CG2-NE2 3.3Å; I136-H140 WeakPolarHBondContact CG2-NE2 3.41Å; I136-H140 PolarHBondContact O-CD2 3.38Å; I136-H140 PolarHBondContact O-N 3.23Å; I136-I157 HydrophobicContact CG1-CD1 4.07Å; I136-I157 HydrophobicContact CG1-CG1 4.25Å; I136-N187 HydrophobicContact CG2-CB 4.44Å; I136-T188 HydrophobicContact CD1-CG2 3.72Å; I136-A191 HydrophobicContact CB-CB 4.29Å; I136-A191 HydrophobicContact CG1-CB 4.22Å; I136-A191 HydrophobicContact CG2-CB 4.12Å |
| 137 | L | 92.8 | Very high | 87.6 | Confident | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.5 | -50.2 | 178.4 | -174.6 | 61.3 | 0 | 0 | 0 | 112.1 | L85 I88 Y128 I132 S133 P134 A139 H140 L141 | L85-L137 HydrophobicContact CB-CD2 3.91Å; L85-L137 HydrophobicContact CD2-CD2 3.95Å; L85-L137 HydrophobicContact CG-CD2 4.49Å; L85-L137 WeakPolarHBondContact O-CD2 3.47Å; I88-L137 HydrophobicContact CB-CD2 4.3Å; I88-L137 HydrophobicContact CG2-CB 4.24Å; I88-L137 HydrophobicContact CG2-CD2 4.04Å; I88-L137 HydrophobicContact CG2-CG 3.92Å; Y128-L137 HydrophobicContact CD1-CD1 4.44Å; Y128-L137 HydrophobicContact CE1-CD1 3.79Å; Y128-L137 HydrophobicContact CE1-CD2 4.18Å; Y128-L137 HydrophobicContact CE2-CD2 4.34Å; I132-L137 HydrophobicContact CG2-CB 3.89Å; I132-L137 HydrophobicContact CG2-CD1 4.43Å; S133-L137 PolarHBondContact O-N 3.09Å; P134-L137 PolarHBondContact O-N 3.49Å; L137-A139 PolarHBondContact O-N 2.84Å; L137-H140 WeakPolarHBondContact O-CB 3.48Å; L137-H140 PolarHBondContact O-N 3Å; L137-L141 HydrophobicContact CD1-CD1 4.06Å; L137-L141 HydrophobicContact CD1-CG 4.25Å; L137-L141 HydrophobicContact CG-CD1 3.98Å; L137-L141 WeakPolarHBondContact O-CG 3.48Å; L137-L141 PolarHBondContact O-N 2.83Å |
| 138 | A | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.8 | -33 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I88 P134 N142 Q143 I146 L147 L150 | I88-A138 HydrophobicContact CG2-CB 3.83Å; P134-A138 WeakPolarHBondContact O-CB 3.42Å; P134-A138 PolarHBondContact O-N 2.78Å; A138-N142 PolarHBondContact O-N 2.92Å; A138-Q143 PolarHBondContact O-N 3.42Å; A138-I146 HydrophobicContact CB-CG2 3.75Å; A138-L147 HydrophobicContact CB-CD1 4.27Å; A138-L150 HydrophobicContact CB-CD1 3.66Å |
| 139 | A | 94.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -74.5 | -38.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I135 I136 L137 N142 L147 A191 S194 | I135-A139 VanDerWaalsContact O-CB 3.24Å; I135-A139 WeakPolarHBondContact O-CB 3.36Å; I135-A139 PolarHBondContact O-N 3.14Å; I136-A139 PolarHBondContact O-N 3.49Å; L137-A139 PolarHBondContact O-N 2.84Å; A139-N142 PolarHBondContact O-N 2.82Å; A139-L147 HydrophobicContact CB-CD1 4.4Å; A139-L147 HydrophobicContact CB-CD2 4.47Å; A139-A191 HydrophobicContact CB-CB 3.72Å; A139-S194 WeakPolarHBondContact O-CB 3.19Å; A139-S194 PolarHBondContact O-OG 3.45Å |
| 140 | H | 94.1 | Very high | 90.7 | Very high | 32 Ų | 32 | 24.7 Ų | 24.7 | 15% | 0.148 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 174.9 | -74.9 | -162.9 | 0 | 0 | 0 | 111.9 | I136 L137 N142 N187 | I136-H140 VanDerWaalsContact CG2-NE2 3.3Å; I136-H140 WeakPolarHBondContact CG2-NE2 3.41Å; I136-H140 PolarHBondContact O-CD2 3.38Å; I136-H140 PolarHBondContact O-N 3.23Å; L137-H140 WeakPolarHBondContact O-CB 3.48Å; L137-H140 PolarHBondContact O-N 3Å; H140-N142 PolarHBondContact O-N 3.19Å; H140-N187 PolarHBondContact CE1-OD1 3.49Å; H140-N187 PolarHBondContact NE2-O 3.16Å |
| 141 | L | 92.4 | Very high | 91.6 | Very high | 74 Ų | 74 | 25.4 Ų | 25.4 | 39% | 0.387 | 13% | 0.125 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -3.3 | 177.1 | -59.5 | 173.3 | 0 | 0 | 0 | 113 | I88 L137 Q143 | I88-L141 HydrophobicContact CG2-CD1 4.26Å; I88-L141 VanDerWaalsContact O-CD1 3.32Å; I88-L141 WeakPolarHBondContact O-CD1 3.46Å; L137-L141 HydrophobicContact CD1-CD1 4.06Å; L137-L141 HydrophobicContact CD1-CG 4.25Å; L137-L141 HydrophobicContact CG-CD1 3.98Å; L137-L141 WeakPolarHBondContact O-CG 3.48Å; L137-L141 PolarHBondContact O-N 2.83Å; L141-Q143 HydrophobicContact CB-CG 3.98Å; L141-Q143 PolarHBondContact O-N 3.26Å; L141-Q143 VanDerWaalsContact O-N 3.13Å |
| 142 | N | 92.5 | Very high | 92.2 | Very high | 38 Ų | 38 | 28.8 Ų | 28.8 | 20% | 0.203 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 27 | 176.4 | -170.2 | 60 | 0 | 0 | 0 | 114 | A138 A139 H140 F144 P195 A196 | A138-N142 PolarHBondContact O-N 2.92Å; A139-N142 PolarHBondContact O-N 2.82Å; H140-N142 PolarHBondContact O-N 3.19Å; N142-F144 WeakPolarHBondContact O-CD2 3.29Å; N142-F144 PolarHBondContact O-N 2.86Å; N142-P195 WeakPolarHBondContact OD1-CB 3.35Å; N142-P195 WeakPolarHBondContact OD1-CD 3.3Å; N142-A196 WeakPolarHBondContact OD1-CB 3.37Å; N142-A196 PolarHBondContact OD1-N 2.88Å |
| 143 | Q | 91.7 | Very high | 92.3 | Very high | 38 Ų | 38 | 31.8 Ų | 31.8 | 18% | 0.178 | 16% | 0.161 | C | C | . | . | trans | -79.4 | 105.9 | -175.7 | -72 | 170.7 | -9 | 0 | 0 | 111.6 | I88 R89 G91 A138 L141 E145 I146 L147 | I88-Q143 PolarHBondContact O-NE2 2.64Å; I88-Q143 PolarHBondContact O-OE1 2.87Å; R89-Q143 PolarHBondContact O-NE2 2.87Å; G91-Q143 VanDerWaalsContact CA-NE2 3.31Å; A138-Q143 PolarHBondContact O-N 3.42Å; L141-Q143 HydrophobicContact CB-CG 3.98Å; L141-Q143 PolarHBondContact O-N 3.26Å; L141-Q143 VanDerWaalsContact O-N 3.13Å; Q143-E145 PolarHBondContact O-N 2.95Å; Q143-I146 HydrophobicContact CB-CB 4.37Å; Q143-L147 WeakPolarHBondContact O-CB 3.48Å; Q143-L147 PolarHBondContact O-N 2.94Å; Q143-L147 VanDerWaalsContact O-N 3.14Å | ||
| 144 | F | 92.1 | Very high | 92.2 | Very high | 14 Ų | 14 | 33.6 Ų | 33.6 | 6% | 0.061 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.8 | -38 | -172.5 | -63.6 | -84.8 | 0 | 0 | 0 | 114.5 | N142 Q148 A196 F200 Y725 I726 T729 | N142-F144 WeakPolarHBondContact O-CD2 3.29Å; N142-F144 PolarHBondContact O-N 2.86Å; F144-Q148 WeakPolarHBondContact O-CB 3.46Å; F144-Q148 PolarHBondContact O-N 2.77Å; F144-Q148 VanDerWaalsContact O-N 3.12Å; F144-A196 HydrophobicContact CD1-CB 3.83Å; F144-A196 HydrophobicContact CE1-CB 3.82Å; F144-A196 HydrophobicContact CG-CB 4.41Å; F144-A196 HydrophobicContact CZ-CB 4.38Å; F144-F200 HydrophobicContact CB-CE2 4.05Å; F144-F200 HydrophobicContact CB-CZ 4.05Å; F144-F200 AromaticContact CD1-CE2 3.94Å; F144-F200 HydrophobicContact CD1-CE2 3.94Å; F144-F200 HydrophobicContact CD1-CZ 4.24Å; F144-F200 WeakPolarHBondContact O-CE2 3.22Å; F144-F200 WeakPolarHBondContact O-CZ 3.32Å; F144-Y725 HydrophobicContact CE1-CE1 4.47Å; F144-Y725 HydrophobicContact CZ-CE1 4.08Å; F144-I726 HydrophobicContact CB-CG2 4.22Å; F144-I726 HydrophobicContact CD1-CB 4.47Å; F144-I726 HydrophobicContact CD1-CD1 4.01Å; F144-I726 HydrophobicContact CD1-CG1 3.7Å; F144-I726 HydrophobicContact CD1-CG2 4.1Å; F144-I726 HydrophobicContact CD2-CG2 4.26Å; F144-I726 HydrophobicContact CE1-CD1 4.37Å; F144-I726 HydrophobicContact CE1-CG1 3.69Å; F144-I726 HydrophobicContact CG-CG1 4.4Å; F144-I726 HydrophobicContact CG-CG2 3.93Å; F144-I726 HydrophobicContact CZ-CG1 4.39Å; F144-T729 HydrophobicContact CE2-CG2 3.86Å; F144-T729 HydrophobicContact CZ-CG2 4.23Å |
| 145 | E | 92.2 | Very high | 92.1 | Very high | 99 Ų | 99 | 33.7 Ų | 33.7 | 46% | 0.463 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -79.2 | -47.2 | -172.4 | -58.8 | -172.5 | 177.2 | 0 | 0 | 112.4 | F93 Q143 L147 Q148 L149 K730 | F93-E145 HydrophobicContact CD2-CB 3.87Å; F93-E145 HydrophobicContact CE2-CB 4.34Å; Q143-E145 PolarHBondContact O-N 2.95Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-L147 PolarHBondContact O-N 3.37Å; E145-Q148 WeakPolarHBondContact O-CB 3.34Å; E145-Q148 PolarHBondContact O-N 3.12Å; E145-L149 PolarHBondContact O-N 2.96Å; E145-K730 IonicContact OE1-NZ 2.64Å; E145-K730 PolarHBondContact OE1-NZ 2.78Å |
| 146 | I | 93.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 39.2 Ų | 39.2 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | 174.3 | -78.1 | 165 | 0 | 0 | 0 | 111.2 | I88 G91 V96 A138 Q143 Q148 L149 L150 | I88-I146 HydrophobicContact CD1-CG2 4.47Å; I88-I146 HydrophobicContact CG1-CG2 3.94Å; I88-I146 HydrophobicContact CG2-CG2 4.3Å; G91-I146 VanDerWaalsContact CA-CD1 3.49Å; G91-I146 VanDerWaalsContact O-CD1 3.22Å; G91-I146 WeakPolarHBondContact O-CD1 3.41Å; V96-I146 HydrophobicContact CB-CD1 4.48Å; V96-I146 HydrophobicContact CB-CG1 4.27Å; V96-I146 HydrophobicContact CG1-CG1 4.29Å; V96-I146 HydrophobicContact CG1-CG2 4.29Å; V96-I146 HydrophobicContact CG2-CD1 3.79Å; V96-I146 HydrophobicContact CG2-CG1 4.09Å; A138-I146 HydrophobicContact CB-CG2 3.75Å; Q143-I146 HydrophobicContact CB-CB 4.37Å; I146-Q148 VanDerWaalsContact C-N 3.34Å; I146-Q148 PolarHBondContact O-N 3.28Å; I146-L149 WeakPolarHBondContact O-CB 3.45Å; I146-L149 PolarHBondContact O-N 3.48Å; I146-L150 HydrophobicContact CG2-CD1 3.95Å; I146-L150 WeakPolarHBondContact O-CG 3.5Å; I146-L150 PolarHBondContact O-N 3.25Å |
| 147 | L | 93.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66 | -37.5 | 176.8 | -170.5 | 63.6 | 0 | 0 | 0 | 111.9 | I135 A138 A139 Q143 E145 L149 L150 L151 A196 W197 F200 | I135-L147 HydrophobicContact CG1-CD1 3.87Å; A138-L147 HydrophobicContact CB-CD1 4.27Å; A139-L147 HydrophobicContact CB-CD1 4.4Å; A139-L147 HydrophobicContact CB-CD2 4.47Å; Q143-L147 WeakPolarHBondContact O-CB 3.48Å; Q143-L147 PolarHBondContact O-N 2.94Å; Q143-L147 VanDerWaalsContact O-N 3.14Å; E145-L147 VanDerWaalsContact C-N 3.34Å; E145-L147 PolarHBondContact O-N 3.37Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L147-L150 PolarHBondContact O-N 3.24Å; L147-L151 HydrophobicContact CG-CD1 4.16Å; L147-L151 WeakPolarHBondContact O-CB 3.38Å; L147-L151 WeakPolarHBondContact O-CG 3.25Å; L147-L151 PolarHBondContact O-N 3.13Å; L147-A196 HydrophobicContact CD2-CB 3.71Å; L147-W197 HydrophobicContact CD1-CE3 4.13Å; L147-W197 HydrophobicContact CD1-CZ3 4.35Å; L147-W197 HydrophobicContact CD2-CB 4.39Å; L147-W197 HydrophobicContact CD2-CE3 4.3Å; L147-F200 HydrophobicContact CD2-CD2 4.43Å |
| 148 | Q | 93.1 | Very high | 91.6 | Very high | 116 Ų | 116 | 47.7 Ų | 47.7 | 54% | 0.542 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.3 | -40 | 172.4 | -177.7 | 178.6 | -29.7 | 0 | 0 | 111.7 | F144 E145 I146 S152 F200 | F144-Q148 WeakPolarHBondContact O-CB 3.46Å; F144-Q148 PolarHBondContact O-N 2.77Å; F144-Q148 VanDerWaalsContact O-N 3.12Å; E145-Q148 WeakPolarHBondContact O-CB 3.34Å; E145-Q148 PolarHBondContact O-N 3.12Å; I146-Q148 VanDerWaalsContact C-N 3.34Å; I146-Q148 PolarHBondContact O-N 3.28Å; Q148-S152 WeakPolarHBondContact O-CB 3.24Å; Q148-S152 PolarHBondContact O-N 3.24Å; Q148-F200 HydrophobicContact CB-CE1 4.32Å; Q148-F200 HydrophobicContact CB-CE2 4.34Å; Q148-F200 HydrophobicContact CB-CZ 4.04Å; Q148-F200 HydrophobicContact CG-CE1 4.49Å |
| 149 | L | 92.8 | Very high | 91.4 | Very high | 12 Ų | 12 | 53.7 Ų | 53.7 | 6% | 0.063 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.5 | -49.4 | 175.3 | 179.5 | 60.6 | 0 | 0 | 0 | 111.6 | F93 V96 E97 L100 E145 I146 L147 L151 S152 R153 | F93-L149 HydrophobicContact CD2-CD2 4.44Å; F93-L149 HydrophobicContact CE2-CB 3.96Å; F93-L149 HydrophobicContact CE2-CD2 3.95Å; F93-L149 HydrophobicContact CE2-CG 4.44Å; F93-L149 HydrophobicContact CZ-CB 4.44Å; F93-L149 HydrophobicContact CZ-CD1 4.4Å; F93-L149 HydrophobicContact CZ-CD2 4Å; V96-L149 HydrophobicContact CG1-CD2 4.13Å; E97-L149 HydrophobicContact CB-CD2 3.92Å; L100-L149 HydrophobicContact CD1-CD2 3.89Å; L100-L149 HydrophobicContact CD1-CG 3.91Å; E145-L149 PolarHBondContact O-N 2.96Å; I146-L149 WeakPolarHBondContact O-CB 3.45Å; I146-L149 PolarHBondContact O-N 3.48Å; L147-L149 VanDerWaalsContact C-N 3.35Å; L149-L151 PolarHBondContact O-N 2.92Å; L149-S152 WeakPolarHBondContact O-CB 3.29Å; L149-S152 PolarHBondContact O-N 3.38Å; L149-S152 VanDerWaalsContact O-N 3.1Å; L149-S152 PolarHBondContact O-OG 3.47Å; L149-R153 PolarHBondContact O-N 2.96Å; L149-R153 VanDerWaalsContact O-N 3.13Å |
| 150 | L | 92.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.5 | -42 | 177 | -70.4 | 167.4 | 0 | 0 | 0 | 112.6 | I88 L100 L110 P134 A138 I146 L147 S152 R153 G154 A155 | I88-L150 HydrophobicContact CD1-CD1 4.08Å; L100-L150 HydrophobicContact CD1-CD2 3.76Å; L100-L150 HydrophobicContact CD1-CG 4.42Å; L100-L150 HydrophobicContact CD2-CD2 3.93Å; L100-L150 HydrophobicContact CG-CD2 4.47Å; L110-L150 HydrophobicContact CD1-CD2 4.23Å; L110-L150 HydrophobicContact CD2-CD2 4.18Å; P134-L150 HydrophobicContact CB-CD2 4.48Å; A138-L150 HydrophobicContact CB-CD1 3.66Å; I146-L150 HydrophobicContact CG2-CD1 3.95Å; I146-L150 WeakPolarHBondContact O-CG 3.5Å; I146-L150 PolarHBondContact O-N 3.25Å; L147-L150 PolarHBondContact O-N 3.24Å; L150-S152 VanDerWaalsContact C-N 3.33Å; L150-S152 PolarHBondContact O-N 3.01Å; L150-R153 PolarHBondContact O-N 2.67Å; L150-G154 PolarHBondContact O-N 2.86Å; L150-A155 WeakPolarHBondContact O-CB 3.47Å; L150-A155 PolarHBondContact O-N 3.45Å |
| 151 | L | 91.9 | Very high | 91.1 | Very high | 50 Ų | 50 | 58.2 Ų | 58.2 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.3 | -36.4 | 173.9 | -73.2 | 169.5 | 0 | 0 | 0 | 111.8 | I135 L147 L149 R153 G154 W197 F200 T201 | I135-L151 HydrophobicContact CD1-CD2 4.25Å; L147-L151 HydrophobicContact CG-CD1 4.16Å; L147-L151 WeakPolarHBondContact O-CB 3.38Å; L147-L151 WeakPolarHBondContact O-CG 3.25Å; L147-L151 PolarHBondContact O-N 3.13Å; L149-L151 PolarHBondContact O-N 2.92Å; L151-R153 VanDerWaalsContact C-N 3.27Å; L151-R153 PolarHBondContact O-N 2.84Å; L151-G154 PolarHBondContact O-N 2.9Å; L151-W197 HydrophobicContact CD2-CH2 4.13Å; L151-W197 HydrophobicContact CD2-CZ3 3.92Å; L151-F200 HydrophobicContact CD1-CB 3.8Å; L151-F200 HydrophobicContact CD1-CD2 4.47Å; L151-F200 HydrophobicContact CD1-CG 4.41Å; L151-T201 HydrophobicContact CD1-CG2 4.06Å; L151-T201 HydrophobicContact CD2-CG2 4.08Å |
| 152 | S | 91.6 | Very high | 90.9 | Very high | 89 Ų | 89 | 58.2 Ų | 58.2 | 62% | 0.622 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -66.4 | -28.1 | 176.1 | 80 | 0 | 0 | 0 | 0 | 113.2 | Q148 L149 L150 G154 | Q148-S152 WeakPolarHBondContact O-CB 3.24Å; Q148-S152 PolarHBondContact O-N 3.24Å; L149-S152 WeakPolarHBondContact O-CB 3.29Å; L149-S152 PolarHBondContact O-N 3.38Å; L149-S152 VanDerWaalsContact O-N 3.1Å; L149-S152 PolarHBondContact O-OG 3.47Å; L150-S152 VanDerWaalsContact C-N 3.33Å; L150-S152 PolarHBondContact O-N 3.01Å; S152-G154 PolarHBondContact O-N 2.86Å |
| 153 | R | 88.8 | Confident | 90.5 | Very high | 82 Ų | 82 | 59.5 Ų | 59.5 | 31% | 0.309 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -0.3 | 171.4 | -58.3 | -65.4 | 171.5 | 113.8 | -3.9 | 113.3 | L100 N101 P107 L110 L149 L150 L151 | L100-R153 PolarHBondContact O-NH1 3.28Å; N101-R153 VanDerWaalsContact OD1-CZ 3.28Å; N101-R153 PolarHBondContact OD1-NH1 3.45Å; N101-R153 PolarHBondContact OD1-NH2 3.49Å; P107-R153 WeakPolarHBondContact CB-O 3.49Å; L110-R153 HydrophobicContact CD1-CB 4.37Å; L149-R153 PolarHBondContact O-N 2.96Å; L149-R153 VanDerWaalsContact O-N 3.13Å; L150-R153 PolarHBondContact O-N 2.67Å; L151-R153 VanDerWaalsContact C-N 3.27Å; L151-R153 PolarHBondContact O-N 2.84Å |
| 154 | G | 87.4 | Confident | 90.2 | Very high | 44 Ų | 44 | 62.7 Ų | 62.7 | 45% | 0.454 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 15.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L150 L151 S152 | L150-G154 PolarHBondContact O-N 2.86Å; L151-G154 PolarHBondContact O-N 2.9Å; S152-G154 PolarHBondContact O-N 2.86Å |
| 155 | A | 87.8 | Confident | 90.1 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.008 | 34% | 0.337 | C | S | . | . | trans | -70.7 | 138.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111 | L110 I135 L150 | L110-A155 HydrophobicContact CB-CB 3.6Å; L110-A155 HydrophobicContact CD1-CB 4.16Å; I135-A155 VanDerWaalsContact CD1-C 3.43Å; I135-A155 HydrophobicContact CD1-CB 3.74Å; I135-A155 WeakPolarHBondContact CD1-O 3.47Å; L150-A155 WeakPolarHBondContact O-CB 3.47Å; L150-A155 PolarHBondContact O-N 3.45Å | ||
| 156 | I | 88.7 | Confident | 90 | Very high | 117 Ų | 117 | 64.9 Ų | 64.9 | 60% | 0.6 | 35% | 0.354 | S | S | * | . | trans | -137.7 | 133.8 | -172.3 | -62.6 | 171.8 | 0 | 0 | 0 | 110.4 | ||||
| 157 | I | 90.6 | Very high | 89.9 | Confident | 15 Ų | 15 | 67 Ų | 67 | 8% | 0.077 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -85.4 | 119.4 | 167.4 | -60 | 176.5 | 0 | 0 | 0 | 108.8 | I135 I136 T188 A191 L192 W197 | I135-I157 HydrophobicContact CD1-CG1 4.27Å; I135-I157 HydrophobicContact CG1-CD1 4.34Å; I135-I157 HydrophobicContact CG1-CG1 4.17Å; I135-I157 HydrophobicContact CG2-CD1 4.34Å; I135-I157 HydrophobicContact CG2-CG1 3.7Å; I136-I157 HydrophobicContact CG1-CD1 4.07Å; I136-I157 HydrophobicContact CG1-CG1 4.25Å; I157-T188 HydrophobicContact CG2-CG2 4.35Å; I157-A191 HydrophobicContact CD1-CB 3.6Å; I157-L192 HydrophobicContact CB-CD2 4.39Å; I157-L192 HydrophobicContact CG2-CD2 3.98Å; I157-L192 HydrophobicContact CG2-CG 4.17Å; I157-W197 HydrophobicContact CB-CH2 3.82Å; I157-W197 HydrophobicContact CB-CZ2 3.92Å; I157-W197 HydrophobicContact CB-CZ3 4.44Å; I157-W197 HydrophobicContact CD1-CD2 4.21Å; I157-W197 HydrophobicContact CD1-CE3 3.8Å; I157-W197 HydrophobicContact CD1-CH2 3.92Å; I157-W197 HydrophobicContact CD1-CZ2 4.27Å; I157-W197 HydrophobicContact CD1-CZ3 3.66Å; I157-W197 HydrophobicContact CG1-CE3 4.5Å; I157-W197 HydrophobicContact CG1-CH2 3.73Å; I157-W197 HydrophobicContact CG1-CZ2 4.25Å; I157-W197 HydrophobicContact CG1-CZ3 3.87Å |
| 158 | R | 88.5 | Confident | 89.9 | Confident | 179 Ų | 179 | 74.6 Ų | 74.6 | 68% | 0.675 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 141 | 169.2 | -64.1 | -173.7 | -169.8 | 159.3 | 2.5 | 109.7 | D112 | D112-R158 WeakPolarHBondContact OD2-CB 3.31Å; D112-R158 WeakPolarHBondContact OD2-CD 3.17Å; D112-R158 WeakPolarHBondContact OD2-CG 3.26Å; D112-R158 IonicContact OD2-CZ 3.22Å; D112-R158 IonicContact OD2-NE 2.78Å; D112-R158 PolarHBondContact OD2-NE 3.41Å |
| 159 | R | 90.3 | Very high | 89.7 | Confident | 125 Ų | 125 | 74.4 Ų | 74.4 | 47% | 0.472 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 135 | 172.7 | -81.1 | -175.7 | 160.1 | -113.2 | -8.4 | 109.6 | L192 E215 | R159-L192 HydrophobicContact CG-CD1 3.95Å; R159-E215 IonicContact CZ-OE2 3.52Å; R159-E215 IonicContact NH1-OE1 3.66Å; R159-E215 PolarHBondContact NH1-OE1 3.41Å; R159-E215 IonicContact NH1-OE2 3.61Å; R159-E215 PolarHBondContact NH1-OE2 2.84Å; R159-E215 IonicContact NH2-OE2 3.71Å |
| 160 | P | 90.8 | Very high | 89.5 | Confident | 30 Ų | 30 | 74.6 Ų | 74.6 | 20% | 0.195 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 153.6 | 172.6 | 27.5 | -34.7 | 0 | 0 | 0 | 110.8 | R185 Y189 | P160-R185 HydrophobicContact CB-CB 4.41Å; P160-R185 HydrophobicContact CB-CG 4.04Å; P160-R185 HydrophobicContact CG-CG 4.29Å; P160-Y189 HydrophobicContact CB-CE2 4.42Å; P160-Y189 HydrophobicContact CG-CD1 4.48Å; P160-Y189 HydrophobicContact CG-CD2 3.87Å; P160-Y189 HydrophobicContact CG-CE1 4.11Å; P160-Y189 HydrophobicContact CG-CE2 3.44Å; P160-Y189 VanDerWaalsContact CG-CE2 3.44Å; P160-Y189 HydrophobicContact CG-CG 4.36Å |
| 161 | H | 90.5 | Very high | 89.5 | Confident | 97 Ų | 97 | 78.2 Ų | 78.2 | 45% | 0.449 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -72 | 160.9 | 174.8 | -63.5 | 160.4 | 0 | 0 | 0 | 111.5 | C165 C170 | H161-C165 HydrophobicContact CB-CB 3.76Å; H161-C170 PolarHBondContact ND1-SG 2.72Å |
| 162 | S | 88.1 | Confident | 89.5 | Confident | 74 Ų | 74 | 78.4 Ų | 78.4 | 52% | 0.517 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 148.9 | 173.6 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | S164 C165 | S162-S164 PolarHBondContact O-N 3.08Å; S162-S164 PolarHBondContact OG-OG 3.04Å; S162-C165 WeakPolarHBondContact O-CB 3.46Å; S162-C165 PolarHBondContact O-N 3.08Å |
| 163 | L | 85.8 | Confident | 89.2 | Confident | 65 Ų | 65 | 76.4 Ų | 76.4 | 34% | 0.34 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -32.1 | 177.6 | -82.2 | 48.1 | 0 | 0 | 0 | 113.7 | C165 R185 L219 L222 E223 | L163-C165 VanDerWaalsContact C-N 3.27Å; L163-C165 PolarHBondContact O-N 3.1Å; L163-R185 VanDerWaalsContact CD1-NH1 3.33Å; L163-L219 HydrophobicContact CD1-CD2 3.44Å; L163-L219 VanDerWaalsContact CD1-CD2 3.44Å; L163-L219 HydrophobicContact CD2-CD2 3.93Å; L163-L219 HydrophobicContact CG-CD2 4.36Å; L163-L222 HydrophobicContact CD2-CB 3.89Å; L163-L222 HydrophobicContact CD2-CD1 4.22Å; L163-E223 HydrophobicContact CD2-CG 3.62Å; L163-E223 HydrophobicContact CG-CG 4.45Å |
| 164 | S | 85.4 | Confident | 89.2 | Confident | 106 Ų | 106 | 78.8 Ų | 78.8 | 74% | 0.741 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | 13.4 | 177.5 | 66 | 0 | 0 | 0 | 0 | 114.6 | S162 S166 | S162-S164 PolarHBondContact O-N 3.08Å; S162-S164 PolarHBondContact OG-OG 3.04Å; S164-S166 PolarHBondContact O-N 3.09Å |
| 165 | C | 90 | Very high | 89.3 | Confident | 42 Ų | 42 | 82.6 Ų | 82.6 | 28% | 0.284 | 42% | 0.42 | S | S | . | . | trans | -80.6 | 117.2 | -177.2 | -167.9 | 0 | 0 | 0 | 0 | 111.3 | H161 S162 L163 C167 | H161-C165 HydrophobicContact CB-CB 3.76Å; S162-C165 WeakPolarHBondContact O-CB 3.46Å; S162-C165 PolarHBondContact O-N 3.08Å; L163-C165 VanDerWaalsContact C-N 3.27Å; L163-C165 PolarHBondContact O-N 3.1Å; C165-C167 VanDerWaalsContact SG-SG 3.68Å | ||
| 166 | S | 88.1 | Confident | 89.3 | Confident | 117 Ų | 117 | 89.2 Ų | 89.2 | 82% | 0.818 | 46% | 0.455 | S | S | * | . | trans | -96.7 | 22.5 | 178.1 | 53.2 | 0 | 0 | 0 | 0 | 113.6 | S164 | S164-S166 PolarHBondContact O-N 3.09Š| ||
| 167 | C | 93.2 | Very high | 89.2 | Confident | 45 Ų | 45 | 87 Ų | 87 | 30% | 0.304 | 45% | 0.445 | S | S | . | . | trans | -69.7 | 150.4 | 177 | 79.6 | 0 | 0 | 0 | 0 | 110.9 | C165 Q169 C170 H171 | C165-C167 VanDerWaalsContact SG-SG 3.68Å; C167-Q169 VanDerWaalsContact C-N 3.27Å; C167-Q169 PolarHBondContact O-N 3.3Å; C167-C170 PolarHBondContact O-N 2.76Å; C167-C170 VanDerWaalsContact SG-SG 3.62Å; C167-H171 PolarHBondContact O-N 2.7Å | ||
| 168 | K | 92.7 | Very high | 89.1 | Confident | 161 Ų | 161 | 90.1 Ų | 90.1 | 70% | 0.7 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -53.7 | -42.5 | -175.2 | -179.2 | 173.7 | 175.9 | -179.1 | 0 | 112.6 | H171 D172 | K168-H171 WeakPolarHBondContact O-CB 3.18Å; K168-H171 PolarHBondContact O-N 2.83Å; K168-D172 WeakPolarHBondContact CE-OD2 3.47Å; K168-D172 WeakPolarHBondContact CG-OD2 3.45Å; K168-D172 IonicContact NZ-OD2 2.76Å; K168-D172 WeakPolarHBondContact O-CB 3.33Å; K168-D172 PolarHBondContact O-N 3.42Å |
| 169 | Q | 88.1 | Confident | 89.2 | Confident | 111 Ų | 111 | 86 Ų | 86 | 52% | 0.519 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.5 | -51.5 | 180 | -174.2 | 177.3 | -1 | 0 | 0 | 112.4 | C167 H171 D172 D173 | C167-Q169 VanDerWaalsContact C-N 3.27Å; C167-Q169 PolarHBondContact O-N 3.3Å; Q169-H171 VanDerWaalsContact C-N 3.28Å; Q169-H171 PolarHBondContact O-N 3.12Å; Q169-D172 PolarHBondContact O-N 3.02Å; Q169-D173 WeakPolarHBondContact O-CB 3.44Å; Q169-D173 PolarHBondContact O-N 2.55Å |
| 170 | C | 90.1 | Very high | 89 | Confident | 17 Ų | 17 | 83.1 Ų | 83.1 | 12% | 0.115 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -69.3 | -27.2 | 179.4 | -60.8 | 0 | 0 | 0 | 0 | 112.8 | H161 C167 R174 | H161-C170 PolarHBondContact ND1-SG 2.72Å; C167-C170 PolarHBondContact O-N 2.76Å; C167-C170 VanDerWaalsContact SG-SG 3.62Å; C170-R174 WeakPolarHBondContact O-CB 3.47Å; C170-R174 PolarHBondContact O-N 3.44Å |
| 171 | H | 91.4 | Very high | 88.9 | Confident | 76 Ų | 76 | 83.7 Ų | 83.7 | 35% | 0.352 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.4 | -52.3 | 170.5 | 177.4 | -84.9 | 0 | 0 | 0 | 111.2 | C167 K168 Q169 R174 M175 | C167-H171 PolarHBondContact O-N 2.7Å; K168-H171 WeakPolarHBondContact O-CB 3.18Å; K168-H171 PolarHBondContact O-N 2.83Å; Q169-H171 VanDerWaalsContact C-N 3.28Å; Q169-H171 PolarHBondContact O-N 3.12Å; H171-R174 PolarHBondContact O-N 2.89Å; H171-M175 WeakPolarHBondContact NE2-CE 3.34Å; H171-M175 VanDerWaalsContact O-CG 3.3Å; H171-M175 WeakPolarHBondContact O-CG 3.39Å; H171-M175 PolarHBondContact O-N 3.49Å |
| 172 | D | 90.8 | Very high | 89 | Confident | 54 Ų | 54 | 79.6 Ų | 79.6 | 29% | 0.289 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.9 | -42.7 | -174.7 | -62.9 | -5 | 0 | 0 | 0 | 111.1 | K168 Q169 R174 M175 N176 | K168-D172 WeakPolarHBondContact CE-OD2 3.47Å; K168-D172 WeakPolarHBondContact CG-OD2 3.45Å; K168-D172 IonicContact NZ-OD2 2.76Å; K168-D172 WeakPolarHBondContact O-CB 3.33Å; K168-D172 PolarHBondContact O-N 3.42Å; Q169-D172 PolarHBondContact O-N 3.02Å; D172-R174 VanDerWaalsContact C-N 3.31Å; D172-R174 PolarHBondContact O-N 3.45Å; D172-M175 PolarHBondContact O-N 3.39Å; D172-N176 WeakPolarHBondContact O-CB 3.34Å; D172-N176 PolarHBondContact O-N 2.97Å; D172-N176 PolarHBondContact O-ND2 3.45Å |
| 173 | D | 86.3 | Confident | 89.1 | Confident | 47 Ų | 47 | 79 Ų | 79 | 25% | 0.251 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -51.4 | -49.8 | 171.4 | -71.4 | -12.7 | 0 | 0 | 0 | 110.9 | Q169 M175 N176 D177 H181 | Q169-D173 WeakPolarHBondContact O-CB 3.44Å; Q169-D173 PolarHBondContact O-N 2.55Å; D173-M175 PolarHBondContact O-N 2.87Å; D173-N176 PolarHBondContact O-N 3.4Å; D173-D177 CarbonylContact O-C 3.57Å; D173-D177 PolarHBondContact O-N 3.31Å; D173-H181 HydrophobicContact CB-CB 4.34Å; D173-H181 VanDerWaalsContact CB-ND1 3.28Å; D173-H181 WeakPolarHBondContact CB-ND1 3.33Å; D173-H181 IonicContact OD2-CE1 2.72Å; D173-H181 IonicContact OD2-ND1 3.64Å |
| 174 | R | 88.6 | Confident | 89.2 | Confident | 131 Ų | 131 | 79 Ų | 79 | 49% | 0.494 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -70 | -28.3 | -177.7 | -174.8 | -171.4 | 67.2 | 167.6 | 1.4 | 113.4 | C170 H171 D172 S178 | C170-R174 WeakPolarHBondContact O-CB 3.47Å; C170-R174 PolarHBondContact O-N 3.44Å; H171-R174 PolarHBondContact O-N 2.89Å; D172-R174 VanDerWaalsContact C-N 3.31Å; D172-R174 PolarHBondContact O-N 3.45Å; R174-S178 PolarHBondContact O-N 3.14Å |
| 175 | M | 89.7 | Confident | 89.6 | Confident | 125 Ų | 125 | 75.3 Ų | 75.3 | 62% | 0.616 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -81.2 | -28.2 | 175.8 | -70.1 | -61.9 | -169.9 | 0 | 0 | 112.4 | H171 D172 D173 | H171-M175 WeakPolarHBondContact NE2-CE 3.34Å; H171-M175 VanDerWaalsContact O-CG 3.3Å; H171-M175 WeakPolarHBondContact O-CG 3.39Å; H171-M175 PolarHBondContact O-N 3.49Å; D172-M175 PolarHBondContact O-N 3.39Å; D173-M175 PolarHBondContact O-N 2.87Å |
| 176 | N | 86.8 | Confident | 89.7 | Confident | 139 Ų | 139 | 74 Ų | 74 | 74% | 0.743 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -76.2 | -53.7 | 174.5 | -66.7 | -25.9 | 0 | 0 | 0 | 111.1 | D172 D173 | D172-N176 WeakPolarHBondContact O-CB 3.34Å; D172-N176 PolarHBondContact O-N 2.97Å; D172-N176 PolarHBondContact O-ND2 3.45Å; D173-N176 PolarHBondContact O-N 3.4Å |
| 177 | D | 86.9 | Confident | 89.9 | Confident | 72 Ų | 72 | 69.5 Ų | 69.5 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | trans | -152.9 | 105.4 | 174.1 | -175.3 | -13 | 0 | 0 | 0 | 110.9 | D173 L179 L180 H181 | D173-D177 CarbonylContact O-C 3.57Å; D173-D177 PolarHBondContact O-N 3.31Å; D177-L179 VanDerWaalsContact C-N 3.32Å; D177-L179 PolarHBondContact O-N 2.9Å; D177-L179 WeakPolarHBondContact OD1-CA 3.48Å; D177-L179 WeakPolarHBondContact OD1-CB 3.31Å; D177-L179 PolarHBondContact OD1-N 3.49Å; D177-L180 HydrophobicContact CB-CB 3.9Å; D177-L180 VanDerWaalsContact CG-CB 3.46Å; D177-L180 PolarHBondContact OD1-N 3.17Å; D177-L180 VanDerWaalsContact OD2-CB 3.26Å; D177-L180 WeakPolarHBondContact OD2-CB 3.26Å; D177-H181 WeakPolarHBondContact O-CB 3.47Å; D177-H181 PolarHBondContact O-N 3.2Å | ||
| 178 | S | 89.8 | Confident | 90 | Very high | 79 Ų | 79 | 67.8 Ų | 67.8 | 55% | 0.552 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -67.9 | -29.4 | 177.5 | 61 | 0 | 0 | 0 | 0 | 113.4 | R174 S182 | R174-S178 PolarHBondContact O-N 3.14Å; S178-S182 WeakPolarHBondContact O-CB 3.34Å; S178-S182 PolarHBondContact O-N 3.48Å |
| 179 | L | 89.3 | Confident | 90.1 | Very high | 94 Ų | 94 | 60.6 Ų | 60.6 | 49% | 0.492 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -73 | -52.4 | 177.8 | 178.8 | 60.7 | 0 | 0 | 0 | 109.7 | D177 H181 S182 L183 F226 | D177-L179 VanDerWaalsContact C-N 3.32Å; D177-L179 PolarHBondContact O-N 2.9Å; D177-L179 WeakPolarHBondContact OD1-CA 3.48Å; D177-L179 WeakPolarHBondContact OD1-CB 3.31Å; D177-L179 PolarHBondContact OD1-N 3.49Å; L179-H181 VanDerWaalsContact C-N 3.28Å; L179-H181 PolarHBondContact O-N 3.23Å; L179-S182 CarbonylContact O-C 3.57Å; L179-S182 WeakPolarHBondContact O-CA 3.47Å; L179-S182 WeakPolarHBondContact O-CB 3.34Å; L179-S182 PolarHBondContact O-N 3.03Å; L179-S182 PolarHBondContact O-OG 3.32Å; L179-L183 HydrophobicContact CD1-CD1 4.1Å; L179-L183 HydrophobicContact CD1-CG 4.09Å; L179-L183 HydrophobicContact CG-CD1 3.93Å; L179-L183 HydrophobicContact CG-CG 4.33Å; L179-L183 WeakPolarHBondContact O-CG 3.4Å; L179-L183 PolarHBondContact O-N 2.86Å; L179-F226 HydrophobicContact CD1-CZ 4.2Å |
| 180 | L | 87.5 | Confident | 90.4 | Very high | 64 Ų | 64 | 61 Ų | 61 | 34% | 0.335 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.7 | -39.4 | 176.3 | -178.2 | 63.4 | 0 | 0 | 0 | 112 | D131 D177 S182 L183 R184 | D131-L180 HydrophobicContact CB-CD1 4.2Å; D177-L180 HydrophobicContact CB-CB 3.9Å; D177-L180 VanDerWaalsContact CG-CB 3.46Å; D177-L180 PolarHBondContact OD1-N 3.17Å; D177-L180 VanDerWaalsContact OD2-CB 3.26Å; D177-L180 WeakPolarHBondContact OD2-CB 3.26Å; L180-S182 VanDerWaalsContact C-N 3.33Å; L180-S182 PolarHBondContact O-N 3.05Å; L180-L183 PolarHBondContact O-N 2.93Å; L180-R184 WeakPolarHBondContact O-CB 3.45Å; L180-R184 PolarHBondContact O-N 2.93Å |
| 181 | H | 88.9 | Confident | 90.7 | Very high | 42 Ų | 42 | 60.1 Ų | 60.1 | 19% | 0.194 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 173.2 | -175.7 | 79.5 | 0 | 0 | 0 | 112.1 | D173 D177 L179 R185 | D173-H181 HydrophobicContact CB-CB 4.34Å; D173-H181 VanDerWaalsContact CB-ND1 3.28Å; D173-H181 WeakPolarHBondContact CB-ND1 3.33Å; D173-H181 IonicContact OD2-CE1 2.72Å; D173-H181 IonicContact OD2-ND1 3.64Å; D177-H181 WeakPolarHBondContact O-CB 3.47Å; D177-H181 PolarHBondContact O-N 3.2Å; L179-H181 VanDerWaalsContact C-N 3.28Å; L179-H181 PolarHBondContact O-N 3.23Å; H181-R185 PolarHBondContact O-N 3.47Å |
| 182 | S | 90.6 | Very high | 90.9 | Very high | 11 Ų | 11 | 56.9 Ų | 56.9 | 8% | 0.077 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.4 | -42.5 | 176.6 | 78 | 0 | 0 | 0 | 0 | 112.8 | S178 L179 L180 R185 I186 | S178-S182 WeakPolarHBondContact O-CB 3.34Å; S178-S182 PolarHBondContact O-N 3.48Å; L179-S182 CarbonylContact O-C 3.57Å; L179-S182 WeakPolarHBondContact O-CA 3.47Å; L179-S182 WeakPolarHBondContact O-CB 3.34Å; L179-S182 PolarHBondContact O-N 3.03Å; L179-S182 PolarHBondContact O-OG 3.32Å; L180-S182 VanDerWaalsContact C-N 3.33Å; L180-S182 PolarHBondContact O-N 3.05Å; S182-R185 WeakPolarHBondContact O-CB 3.43Å; S182-R185 PolarHBondContact O-N 2.85Å; S182-I186 WeakPolarHBondContact O-CG1 3.29Å; S182-I186 PolarHBondContact O-N 3.43Å |
| 183 | L | 90.5 | Very high | 91.1 | Very high | 60 Ų | 60 | 54.3 Ų | 54.3 | 31% | 0.314 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.8 | -46.6 | 179.6 | -69.5 | 175 | 0 | 0 | 0 | 111.4 | L179 L180 R185 I186 N187 | L179-L183 HydrophobicContact CD1-CD1 4.1Å; L179-L183 HydrophobicContact CD1-CG 4.09Å; L179-L183 HydrophobicContact CG-CD1 3.93Å; L179-L183 HydrophobicContact CG-CG 4.33Å; L179-L183 WeakPolarHBondContact O-CG 3.4Å; L179-L183 PolarHBondContact O-N 2.86Å; L180-L183 PolarHBondContact O-N 2.93Å; L183-R185 PolarHBondContact O-N 2.91Å; L183-I186 CarbonylContact O-C 3.6Å; L183-I186 PolarHBondContact O-N 2.89Å; L183-N187 WeakPolarHBondContact O-CB 3.26Å; L183-N187 PolarHBondContact O-N 3.32Å |
| 184 | R | 89.5 | Confident | 91.5 | Very high | 67 Ų | 67 | 52.2 Ų | 52.2 | 25% | 0.253 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -53.7 | -40.3 | 174.7 | -178 | 176.6 | -179.6 | 176.3 | 5.8 | 112.5 | D112 D131 L180 T188 | D112-R184 IonicContact OD1-CZ 2.75Å; D112-R184 IonicContact OD1-NH2 3.82Å; D112-R184 PolarHBondContact OD1-NH2 3.36Å; D131-R184 HydrophobicContact CB-CB 3.72Å; D131-R184 HydrophobicContact CB-CG 4.01Å; D131-R184 WeakPolarHBondContact OD2-CA 3.31Å; D131-R184 PolarHBondContact OD2-N 3.35Å; L180-R184 WeakPolarHBondContact O-CB 3.45Å; L180-R184 PolarHBondContact O-N 2.93Å; R184-T188 WeakPolarHBondContact O-CB 3.07Å; R184-T188 WeakPolarHBondContact O-CG2 3.45Å; R184-T188 PolarHBondContact O-N 3.1Å; R184-T188 PolarHBondContact O-OG1 3.15Å |
| 185 | R | 92 | Very high | 91.9 | Very high | 28 Ų | 28 | 46.4 Ų | 46.4 | 11% | 0.106 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.2 | -41.5 | 176.4 | 172 | -176.1 | 58.2 | 176.4 | 2.1 | 112 | P160 L163 H181 S182 L183 T188 Y189 E223 Y230 | P160-R185 HydrophobicContact CB-CB 4.41Å; P160-R185 HydrophobicContact CB-CG 4.04Å; P160-R185 HydrophobicContact CG-CG 4.29Å; L163-R185 VanDerWaalsContact CD1-NH1 3.33Å; H181-R185 PolarHBondContact O-N 3.47Å; S182-R185 WeakPolarHBondContact O-CB 3.43Å; S182-R185 PolarHBondContact O-N 2.85Å; L183-R185 PolarHBondContact O-N 2.91Å; R185-T188 WeakPolarHBondContact CA-OG1 3.43Å; R185-T188 PolarHBondContact O-OG1 3.42Å; R185-T188 VanDerWaalsContact O-OG1 3.05Å; R185-Y189 HydrophobicContact CG-CD2 3.82Å; R185-Y189 HydrophobicContact CG-CE2 3.79Å; R185-Y189 WeakPolarHBondContact O-CB 3.25Å; R185-Y189 WeakPolarHBondContact O-CD2 3.41Å; R185-Y189 PolarHBondContact O-N 3.13Å; R185-E223 VanDerWaalsContact CZ-CD 3.47Å; R185-E223 IonicContact CZ-OE1 3.9Å; R185-E223 IonicContact CZ-OE2 3.89Å; R185-E223 IonicContact NE-OE2 3.4Å; R185-E223 IonicContact NH1-OE1 2.92Å; R185-E223 PolarHBondContact NH1-OE1 3.22Å; R185-E223 IonicContact NH1-OE2 3.51Å; R185-E223 PolarHBondContact NH1-OE2 3.39Å; R185-E223 IonicContact NH2-OE1 3.71Å; R185-E223 PolarHBondContact NH2-OE1 2.94Å; R185-E223 IonicContact NH2-OE2 3.2Å; R185-E223 PolarHBondContact NH2-OE2 3.16Å; R185-Y230 PolarHBondContact NE-OH 2.74Å |
| 186 | I | 92.7 | Very high | 92.1 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.5 | -46.1 | 175.3 | -68.1 | 160.2 | 0 | 0 | 0 | 110.6 | S182 L183 Y189 R190 F226 Y230 | S182-I186 WeakPolarHBondContact O-CG1 3.29Å; S182-I186 PolarHBondContact O-N 3.43Å; L183-I186 CarbonylContact O-C 3.6Å; L183-I186 PolarHBondContact O-N 2.89Å; I186-Y189 CarbonylContact O-C 3.58Å; I186-Y189 PolarHBondContact O-N 3.25Å; I186-R190 WeakPolarHBondContact O-CB 3.18Å; I186-R190 PolarHBondContact O-N 2.65Å; I186-F226 HydrophobicContact CD1-CB 3.84Å; I186-F226 HydrophobicContact CD1-CD1 3.56Å; I186-F226 HydrophobicContact CD1-CD2 3.64Å; I186-F226 HydrophobicContact CD1-CE1 3.93Å; I186-F226 HydrophobicContact CD1-CE2 4Å; I186-F226 HydrophobicContact CD1-CG 3.39Å; I186-F226 HydrophobicContact CD1-CZ 4.13Å; I186-Y230 HydrophobicContact CG1-CE1 4.26Å; I186-Y230 HydrophobicContact CG1-CE2 4.48Å |
| 187 | N | 93.2 | Very high | 92.5 | Very high | 24 Ų | 24 | 34.9 Ų | 34.9 | 13% | 0.128 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68 | -37.7 | 179.8 | -77.4 | -30.4 | 0 | 0 | 0 | 112.6 | D131 I136 H140 L183 R190 A191 | D131-N187 WeakPolarHBondContact OD2-CB 3.4Å; D131-N187 PolarHBondContact OD2-ND2 2.94Å; I136-N187 HydrophobicContact CG2-CB 4.44Å; H140-N187 PolarHBondContact CE1-OD1 3.49Å; H140-N187 PolarHBondContact NE2-O 3.16Å; L183-N187 WeakPolarHBondContact O-CB 3.26Å; L183-N187 PolarHBondContact O-N 3.32Å; N187-R190 PolarHBondContact O-N 3.44Å; N187-A191 PolarHBondContact O-N 2.87Å |
| 188 | T | 93.7 | Very high | 92.9 | Very high | 9 Ų | 9 | 31.5 Ų | 31.5 | 6% | 0.055 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.9 | -41 | 169.2 | 47.5 | 0 | 0 | 0 | 0 | 112 | I136 I157 R184 R185 A191 L192 | I136-T188 HydrophobicContact CD1-CG2 3.72Å; I157-T188 HydrophobicContact CG2-CG2 4.35Å; R184-T188 WeakPolarHBondContact O-CB 3.07Å; R184-T188 WeakPolarHBondContact O-CG2 3.45Å; R184-T188 PolarHBondContact O-N 3.1Å; R184-T188 PolarHBondContact O-OG1 3.15Å; R185-T188 WeakPolarHBondContact CA-OG1 3.43Å; R185-T188 PolarHBondContact O-OG1 3.42Å; R185-T188 VanDerWaalsContact O-OG1 3.05Å; T188-A191 PolarHBondContact O-N 3.48Å; T188-L192 WeakPolarHBondContact O-CB 3.34Å; T188-L192 WeakPolarHBondContact O-CG 3.45Å; T188-L192 PolarHBondContact O-N 2.93Å |
| 189 | Y | 95.4 | Very high | 93.1 | Very high | 9 Ų | 9 | 28.2 Ų | 28.2 | 4% | 0.035 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.6 | -40.5 | 173.8 | -87.3 | -57.9 | 0 | 0 | 0 | 113.1 | P160 R185 I186 A191 L192 A193 L212 E215 L216 L219 Y230 | P160-Y189 HydrophobicContact CB-CE2 4.42Å; P160-Y189 HydrophobicContact CG-CD1 4.48Å; P160-Y189 HydrophobicContact CG-CD2 3.87Å; P160-Y189 HydrophobicContact CG-CE1 4.11Å; P160-Y189 HydrophobicContact CG-CE2 3.44Å; P160-Y189 VanDerWaalsContact CG-CE2 3.44Å; P160-Y189 HydrophobicContact CG-CG 4.36Å; R185-Y189 HydrophobicContact CG-CD2 3.82Å; R185-Y189 HydrophobicContact CG-CE2 3.79Å; R185-Y189 WeakPolarHBondContact O-CB 3.25Å; R185-Y189 WeakPolarHBondContact O-CD2 3.41Å; R185-Y189 PolarHBondContact O-N 3.13Å; I186-Y189 CarbonylContact O-C 3.58Å; I186-Y189 PolarHBondContact O-N 3.25Å; Y189-A191 VanDerWaalsContact C-N 3.34Å; Y189-A191 PolarHBondContact O-N 3.39Å; Y189-L192 HydrophobicContact CD1-CD1 4.46Å; Y189-L192 PolarHBondContact O-N 3.25Å; Y189-A193 VanDerWaalsContact O-CB 3.23Å; Y189-A193 WeakPolarHBondContact O-CB 3.44Å; Y189-A193 PolarHBondContact O-N 3.46Å; Y189-L212 HydrophobicContact CD1-CD1 4.16Å; Y189-L212 HydrophobicContact CE1-CD1 4.29Å; Y189-E215 HydrophobicContact CE1-CG 4.47Å; Y189-L216 HydrophobicContact CD1-CD2 3.85Å; Y189-L216 HydrophobicContact CG-CD2 3.94Å; Y189-L219 HydrophobicContact CD2-CD1 4Å; Y189-L219 HydrophobicContact CE1-CD1 4.12Å; Y189-L219 HydrophobicContact CE2-CD1 3.42Å; Y189-L219 VanDerWaalsContact CE2-CD1 3.42Å; Y189-L219 VanDerWaalsContact CZ-CD1 3.5Å; Y189-Y230 HydrophobicContact CD2-CE1 4.01Å |
| 190 | R | 95.5 | Very high | 93.2 | Very high | 119 Ų | 119 | 26.9 Ų | 26.9 | 45% | 0.449 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -60.2 | -41.8 | 174.8 | -180 | 173.1 | -175.7 | -170.2 | 4.1 | 112 | I186 N187 A193 S194 L233 | I186-R190 WeakPolarHBondContact O-CB 3.18Å; I186-R190 PolarHBondContact O-N 2.65Å; N187-R190 PolarHBondContact O-N 3.44Å; R190-A193 PolarHBondContact O-N 2.97Å; R190-S194 PolarHBondContact O-N 3.12Å; R190-L233 HydrophobicContact CB-CD1 4Å; R190-L233 HydrophobicContact CB-CD2 4.07Å; R190-L233 HydrophobicContact CG-CD2 3.95Å |
| 191 | A | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.3 | -44.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I136 A139 I157 N187 T188 Y189 A193 S194 W197 | I136-A191 HydrophobicContact CB-CB 4.29Å; I136-A191 HydrophobicContact CG1-CB 4.22Å; I136-A191 HydrophobicContact CG2-CB 4.12Å; A139-A191 HydrophobicContact CB-CB 3.72Å; I157-A191 HydrophobicContact CD1-CB 3.6Å; N187-A191 PolarHBondContact O-N 2.87Å; T188-A191 PolarHBondContact O-N 3.48Å; Y189-A191 VanDerWaalsContact C-N 3.34Å; Y189-A191 PolarHBondContact O-N 3.39Å; A191-A193 PolarHBondContact O-N 2.82Å; A191-S194 PolarHBondContact O-N 3.1Å; A191-S194 PolarHBondContact O-OG 3.23Å; A191-W197 VanDerWaalsContact O-CB 3.22Å; A191-W197 WeakPolarHBondContact O-CB 3.3Å |
| 192 | L | 95.6 | Very high | 93.5 | Very high | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.042 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.7 | -27.5 | 177 | -69.2 | 171.7 | 0 | 0 | 0 | 113.3 | I157 R159 T188 Y189 W197 I198 L212 | I157-L192 HydrophobicContact CB-CD2 4.39Å; I157-L192 HydrophobicContact CG2-CD2 3.98Å; I157-L192 HydrophobicContact CG2-CG 4.17Å; R159-L192 HydrophobicContact CG-CD1 3.95Å; T188-L192 WeakPolarHBondContact O-CB 3.34Å; T188-L192 WeakPolarHBondContact O-CG 3.45Å; T188-L192 PolarHBondContact O-N 2.93Å; Y189-L192 HydrophobicContact CD1-CD1 4.46Å; Y189-L192 PolarHBondContact O-N 3.25Å; L192-W197 HydrophobicContact CD2-CZ2 4.24Å; L192-I198 WeakPolarHBondContact O-CG1 3.27Å; L192-L212 HydrophobicContact CB-CD2 4.28Å; L192-L212 WeakPolarHBondContact O-CD2 3.42Å |
| 193 | A | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -81.5 | -13.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y189 R190 A191 L212 L216 L233 | Y189-A193 VanDerWaalsContact O-CB 3.23Å; Y189-A193 WeakPolarHBondContact O-CB 3.44Å; Y189-A193 PolarHBondContact O-N 3.46Å; R190-A193 PolarHBondContact O-N 2.97Å; A191-A193 PolarHBondContact O-N 2.82Å; A193-L212 HydrophobicContact CB-CD2 4.16Å; A193-L216 HydrophobicContact CB-CD1 4.21Å; A193-L233 HydrophobicContact CB-CB 4.31Å; A193-L233 HydrophobicContact CB-CD2 4.29Å |
| 194 | S | 95.2 | Very high | 93.2 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -70 | 142.1 | -172 | 87.2 | 0 | 0 | 0 | 0 | 112.6 | A139 R190 A191 A196 W197 I198 | A139-S194 WeakPolarHBondContact O-CB 3.19Å; A139-S194 PolarHBondContact O-OG 3.45Å; R190-S194 PolarHBondContact O-N 3.12Å; A191-S194 PolarHBondContact O-N 3.1Å; A191-S194 PolarHBondContact O-OG 3.23Å; S194-A196 VanDerWaalsContact C-N 3.27Å; S194-A196 PolarHBondContact O-N 3.05Å; S194-W197 PolarHBondContact O-N 2.9Å; S194-W197 VanDerWaalsContact O-N 3.16Å; S194-W197 WeakPolarHBondContact OG-CB 3.44Å; S194-W197 PolarHBondContact OG-N 3.33Å; S194-I198 WeakPolarHBondContact O-CG1 3.41Å; S194-I198 PolarHBondContact O-N 3.39Å |
| 195 | P | 95.8 | Very high | 93.4 | Very high | 9 Ų | 9 | 24.1 Ų | 24.1 | 6% | 0.058 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -53.6 | -42.9 | 176.3 | -28.4 | 35.1 | 0 | 0 | 0 | 113 | N142 S199 F240 Y725 | N142-P195 WeakPolarHBondContact OD1-CB 3.35Å; N142-P195 WeakPolarHBondContact OD1-CD 3.3Å; P195-S199 WeakPolarHBondContact O-CB 3.21Å; P195-S199 PolarHBondContact O-N 3.23Å; P195-S199 PolarHBondContact O-OG 3.11Å; P195-F240 HydrophobicContact CB-CD2 3.62Å; P195-F240 HydrophobicContact CB-CE2 3.84Å; P195-F240 HydrophobicContact CB-CG 4.29Å; P195-F240 HydrophobicContact CG-CB 4.46Å; P195-F240 HydrophobicContact CG-CD2 4.13Å; P195-F240 HydrophobicContact CG-CG 4.44Å; P195-Y725 HydrophobicContact CB-CE1 3.89Å; P195-Y725 WeakPolarHBondContact CB-OH 3.38Å |
| 196 | A | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.2 | -51.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N142 F144 L147 S194 I198 S199 F200 | N142-A196 WeakPolarHBondContact OD1-CB 3.37Å; N142-A196 PolarHBondContact OD1-N 2.88Å; F144-A196 HydrophobicContact CD1-CB 3.83Å; F144-A196 HydrophobicContact CE1-CB 3.82Å; F144-A196 HydrophobicContact CG-CB 4.41Å; F144-A196 HydrophobicContact CZ-CB 4.38Å; L147-A196 HydrophobicContact CD2-CB 3.71Å; S194-A196 VanDerWaalsContact C-N 3.27Å; S194-A196 PolarHBondContact O-N 3.05Å; A196-I198 PolarHBondContact O-N 2.95Å; A196-S199 PolarHBondContact O-N 3.49Å; A196-S199 PolarHBondContact O-OG 3.04Å; A196-F200 VanDerWaalsContact O-CD2 3.3Å; A196-F200 WeakPolarHBondContact O-CD2 3.31Å; A196-F200 PolarHBondContact O-N 3.17Å |
| 197 | W | 95.1 | Very high | 93.4 | Very high | 22 Ų | 22 | 23.2 Ų | 23.2 | 8% | 0.083 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -58.7 | -49.9 | 179.5 | -177.7 | -96.5 | 0 | 0 | 0 | 112.5 | I135 L147 L151 I157 A191 L192 S194 S199 T201 | I135-W197 HydrophobicContact CD1-CH2 4.06Å; I135-W197 HydrophobicContact CD1-CZ3 3.63Å; I135-W197 HydrophobicContact CG1-CZ3 3.85Å; L147-W197 HydrophobicContact CD1-CE3 4.13Å; L147-W197 HydrophobicContact CD1-CZ3 4.35Å; L147-W197 HydrophobicContact CD2-CB 4.39Å; L147-W197 HydrophobicContact CD2-CE3 4.3Å; L151-W197 HydrophobicContact CD2-CH2 4.13Å; L151-W197 HydrophobicContact CD2-CZ3 3.92Å; I157-W197 HydrophobicContact CB-CH2 3.82Å; I157-W197 HydrophobicContact CB-CZ2 3.92Å; I157-W197 HydrophobicContact CB-CZ3 4.44Å; I157-W197 HydrophobicContact CD1-CD2 4.21Å; I157-W197 HydrophobicContact CD1-CE3 3.8Å; I157-W197 HydrophobicContact CD1-CH2 3.92Å; I157-W197 HydrophobicContact CD1-CZ2 4.27Å; I157-W197 HydrophobicContact CD1-CZ3 3.66Å; I157-W197 HydrophobicContact CG1-CE3 4.5Å; I157-W197 HydrophobicContact CG1-CH2 3.73Å; I157-W197 HydrophobicContact CG1-CZ2 4.25Å; I157-W197 HydrophobicContact CG1-CZ3 3.87Å; A191-W197 VanDerWaalsContact O-CB 3.22Å; A191-W197 WeakPolarHBondContact O-CB 3.3Å; L192-W197 HydrophobicContact CD2-CZ2 4.24Å; S194-W197 PolarHBondContact O-N 2.9Å; S194-W197 VanDerWaalsContact O-N 3.16Å; S194-W197 WeakPolarHBondContact OG-CB 3.44Å; S194-W197 PolarHBondContact OG-N 3.33Å; W197-S199 VanDerWaalsContact C-N 3.27Å; W197-S199 PolarHBondContact O-N 3.2Å; W197-T201 HydrophobicContact CD2-CG2 3.88Å; W197-T201 HydrophobicContact CE3-CG2 4.11Å; W197-T201 HydrophobicContact CG-CG2 4.47Å; W197-T201 HydrophobicContact CH2-CG2 4Å; W197-T201 HydrophobicContact CZ2-CG2 3.78Å; W197-T201 HydrophobicContact CZ3-CG2 4.16Å; W197-T201 PolarHBondContact NE1-OG1 3.25Å; W197-T201 WeakPolarHBondContact O-CB 3.26Å; W197-T201 WeakPolarHBondContact O-CG2 3.48Å; W197-T201 PolarHBondContact O-N 3.17Å; W197-T201 VanDerWaalsContact O-N 3.11Å; W197-T201 PolarHBondContact O-OG1 3.42Å |
| 198 | I | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.9 | -33.7 | -177.6 | -59 | 169.3 | 0 | 0 | 0 | 111.1 | L192 S194 A196 S202 P205 T208 A209 L212 F240 | L192-I198 WeakPolarHBondContact O-CG1 3.27Å; S194-I198 WeakPolarHBondContact O-CG1 3.41Å; S194-I198 PolarHBondContact O-N 3.39Å; A196-I198 PolarHBondContact O-N 2.95Å; I198-S202 PolarHBondContact O-OG 3.14Å; I198-P205 HydrophobicContact CG2-CB 3.82Å; I198-T208 HydrophobicContact CG1-CG2 4.37Å; I198-T208 HydrophobicContact CG2-CG2 3.9Å; I198-A209 HydrophobicContact CD1-CB 4.49Å; I198-L212 HydrophobicContact CD1-CD2 4.42Å; I198-F240 HydrophobicContact CB-CE1 3.84Å; I198-F240 HydrophobicContact CB-CZ 4.29Å; I198-F240 HydrophobicContact CD1-CD1 4.25Å; I198-F240 HydrophobicContact CD1-CE1 4.31Å; I198-F240 HydrophobicContact CG2-CD1 4.46Å; I198-F240 HydrophobicContact CG2-CE1 3.57Å; I198-F240 HydrophobicContact CG2-CZ 4.25Å |
| 199 | S | 93.7 | Very high | 93.4 | Very high | 10 Ų | 10 | 23.3 Ų | 23.3 | 7% | 0.07 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.4 | -38.4 | -177.5 | 75.3 | 0 | 0 | 0 | 0 | 114.3 | P195 A196 W197 | P195-S199 WeakPolarHBondContact O-CB 3.21Å; P195-S199 PolarHBondContact O-N 3.23Å; P195-S199 PolarHBondContact O-OG 3.11Å; A196-S199 PolarHBondContact O-N 3.49Å; A196-S199 PolarHBondContact O-OG 3.04Å; W197-S199 VanDerWaalsContact C-N 3.27Å; W197-S199 PolarHBondContact O-N 3.2Å |
| 200 | F | 92.3 | Very high | 93.4 | Very high | 66 Ų | 66 | 22.9 Ų | 22.9 | 29% | 0.289 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -90.5 | -40.4 | -179.9 | -66 | -62.9 | 0 | 0 | 0 | 113.3 | F144 L147 Q148 L151 A196 S202 I726 | F144-F200 HydrophobicContact CB-CE2 4.05Å; F144-F200 HydrophobicContact CB-CZ 4.05Å; F144-F200 AromaticContact CD1-CE2 3.94Å; F144-F200 HydrophobicContact CD1-CE2 3.94Å; F144-F200 HydrophobicContact CD1-CZ 4.24Å; F144-F200 WeakPolarHBondContact O-CE2 3.22Å; F144-F200 WeakPolarHBondContact O-CZ 3.32Å; L147-F200 HydrophobicContact CD2-CD2 4.43Å; Q148-F200 HydrophobicContact CB-CE1 4.32Å; Q148-F200 HydrophobicContact CB-CE2 4.34Å; Q148-F200 HydrophobicContact CB-CZ 4.04Å; Q148-F200 HydrophobicContact CG-CE1 4.49Å; L151-F200 HydrophobicContact CD1-CB 3.8Å; L151-F200 HydrophobicContact CD1-CD2 4.47Å; L151-F200 HydrophobicContact CD1-CG 4.41Å; A196-F200 VanDerWaalsContact O-CD2 3.3Å; A196-F200 WeakPolarHBondContact O-CD2 3.31Å; A196-F200 PolarHBondContact O-N 3.17Å; F200-S202 PolarHBondContact O-N 3.4Å; F200-I726 HydrophobicContact CE1-CD1 4.2Å; F200-I726 HydrophobicContact CZ-CD1 4.17Å |
| 201 | T | 92.2 | Very high | 93.3 | Very high | 64 Ų | 64 | 23.8 Ų | 23.8 | 39% | 0.393 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -83.4 | -11.5 | -168.6 | 63.8 | 0 | 0 | 0 | 0 | 114.4 | L151 W197 | L151-T201 HydrophobicContact CD1-CG2 4.06Å; L151-T201 HydrophobicContact CD2-CG2 4.08Å; W197-T201 HydrophobicContact CD2-CG2 3.88Å; W197-T201 HydrophobicContact CE3-CG2 4.11Å; W197-T201 HydrophobicContact CG-CG2 4.47Å; W197-T201 HydrophobicContact CH2-CG2 4Å; W197-T201 HydrophobicContact CZ2-CG2 3.78Å; W197-T201 HydrophobicContact CZ3-CG2 4.16Å; W197-T201 PolarHBondContact NE1-OG1 3.25Å; W197-T201 WeakPolarHBondContact O-CB 3.26Å; W197-T201 WeakPolarHBondContact O-CG2 3.48Å; W197-T201 PolarHBondContact O-N 3.17Å; W197-T201 VanDerWaalsContact O-N 3.11Å; W197-T201 PolarHBondContact O-OG1 3.42Å |
| 202 | S | 90.1 | Very high | 93.4 | Very high | 24 Ų | 24 | 23.9 Ų | 23.9 | 17% | 0.168 | 13% | 0.127 | C | C | . | . | trans | -127 | 133.6 | -169.8 | 82.6 | 0 | 0 | 0 | 0 | 115.6 | I198 F200 D204 P205 T208 | I198-S202 PolarHBondContact O-OG 3.14Å; F200-S202 PolarHBondContact O-N 3.4Å; S202-D204 PolarHBondContact O-N 3.29Å; S202-P205 WeakPolarHBondContact OG-CA 3.41Å; S202-T208 WeakPolarHBondContact CB-OG1 3.41Å; S202-T208 PolarHBondContact OG-OG1 3.47Å | ||
| 203 | S | 85.9 | Confident | 93.4 | Very high | 88 Ų | 88 | 23.6 Ų | 23.6 | 62% | 0.615 | 13% | 0.126 | S | C | * | . | S | Bend | trans | -79.9 | 4.9 | -178.6 | 60 | 0 | 0 | 0 | 0 | 114.9 | R714 | S203-R714 PolarHBondContact O-NH1 3.46Å; S203-R714 VanDerWaalsContact O-NH1 3.1Å; S203-R714 PolarHBondContact O-NH2 3.49Å; S203-R714 VanDerWaalsContact O-NH2 3.16Å |
| 204 | D | 88.6 | Confident | 93.3 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | trans | -160.4 | 71.1 | 179.9 | -167.5 | -13.1 | 0 | 0 | 0 | 108.8 | S202 V206 L207 T208 K260 R278 R714 | S202-D204 PolarHBondContact O-N 3.29Å; D204-V206 PolarHBondContact O-N 2.88Å; D204-L207 HydrophobicContact CB-CB 4.06Å; D204-L207 WeakPolarHBondContact O-CA 3.49Å; D204-L207 WeakPolarHBondContact O-CB 3.32Å; D204-L207 PolarHBondContact O-N 3.38Å; D204-L207 PolarHBondContact OD1-N 3Å; D204-T208 PolarHBondContact O-N 3.05Å; D204-T208 VanDerWaalsContact O-N 3.12Å; D204-T208 PolarHBondContact O-OG1 3.45Å; D204-K260 IonicContact OD2-NZ 2.68Å; D204-K260 PolarHBondContact OD2-NZ 3.11Å; D204-R278 VanDerWaalsContact CG-NH2 3.31Å; D204-R278 IonicContact OD1-CZ 2.88Å; D204-R278 IonicContact OD1-NH1 2.79Å; D204-R278 PolarHBondContact OD1-NH1 3.35Å; D204-R278 IonicContact OD1-NH2 3.12Å; D204-R278 PolarHBondContact OD1-NH2 3.08Å; D204-R278 IonicContact OD2-CZ 3.18Å; D204-R278 IonicContact OD2-NH1 2.73Å; D204-R278 PolarHBondContact OD2-NH1 3.35Å; D204-R278 IonicContact OD2-NH2 2.7Å; D204-R278 PolarHBondContact OD2-NH2 2.79Å; D204-R714 IonicContact OD1-NH1 3.22Å; D204-R714 IonicContact OD2-NH1 2.55Å | ||
| 205 | P | 93.1 | Very high | 93.3 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.1 | -33.7 | -169.6 | 22.9 | -34.7 | 0 | 0 | 0 | 112.9 | I198 S202 L207 T208 A209 F240 L244 M718 V722 | I198-P205 HydrophobicContact CG2-CB 3.82Å; S202-P205 WeakPolarHBondContact OG-CA 3.41Å; P205-L207 VanDerWaalsContact C-N 3.3Å; P205-L207 PolarHBondContact O-N 3.08Å; P205-T208 PolarHBondContact O-N 2.79Å; P205-A209 VanDerWaalsContact O-CB 3.29Å; P205-A209 WeakPolarHBondContact O-CB 3.45Å; P205-A209 PolarHBondContact O-N 2.84Å; P205-F240 HydrophobicContact CB-CE1 4.14Å; P205-F240 HydrophobicContact CB-CZ 4.24Å; P205-L244 HydrophobicContact CB-CD1 3.93Å; P205-L244 HydrophobicContact CG-CD1 3.94Å; P205-M718 HydrophobicContact CG-SD 4.29Å; P205-V722 HydrophobicContact CG-CG2 3.86Å |
| 206 | V | 92.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.5 | -33.2 | 173.8 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | D204 F210 L244 V257 F290 M718 | D204-V206 PolarHBondContact O-N 2.88Å; V206-F210 HydrophobicContact CG1-CD1 4.36Å; V206-F210 HydrophobicContact CG1-CD2 4.22Å; V206-F210 HydrophobicContact CG1-CE1 3.96Å; V206-F210 HydrophobicContact CG1-CE2 3.8Å; V206-F210 HydrophobicContact CG1-CZ 3.67Å; V206-F210 VanDerWaalsContact O-CB 3.26Å; V206-F210 WeakPolarHBondContact O-CB 3.38Å; V206-F210 VanDerWaalsContact O-CD1 3.31Å; V206-F210 WeakPolarHBondContact O-CD1 3.17Å; V206-F210 WeakPolarHBondContact O-CD2 3.39Å; V206-F210 WeakPolarHBondContact O-CG 3.32Å; V206-F210 PolarHBondContact O-N 3.46Å; V206-F210 VanDerWaalsContact O-N 3.17Å; V206-L244 HydrophobicContact CG2-CB 4.43Å; V206-L244 HydrophobicContact CG2-CD1 3.91Å; V206-V257 HydrophobicContact CG1-CG1 4.4Å; V206-V257 HydrophobicContact CG2-CG1 4.24Å; V206-F290 HydrophobicContact CG1-CE2 4.14Å; V206-F290 HydrophobicContact CG1-CZ 4.33Å; V206-M718 HydrophobicContact CG2-CE 4.25Å; V206-M718 HydrophobicContact CG2-SD 4.29Å |
| 207 | L | 91.5 | Very high | 93.3 | Very high | 22 Ų | 22 | 34 Ų | 34 | 12% | 0.115 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -74.7 | -41.6 | 174.8 | -172.5 | 71.4 | 0 | 0 | 0 | 111.3 | D204 P205 F210 R211 L281 | D204-L207 HydrophobicContact CB-CB 4.06Å; D204-L207 WeakPolarHBondContact O-CA 3.49Å; D204-L207 WeakPolarHBondContact O-CB 3.32Å; D204-L207 PolarHBondContact O-N 3.38Å; D204-L207 PolarHBondContact OD1-N 3Å; P205-L207 VanDerWaalsContact C-N 3.3Å; P205-L207 PolarHBondContact O-N 3.08Å; L207-F210 PolarHBondContact O-N 3.4Å; L207-R211 HydrophobicContact CG-CG 4.41Å; L207-R211 WeakPolarHBondContact O-CB 3.47Å; L207-R211 WeakPolarHBondContact O-CG 3.34Å; L207-R211 PolarHBondContact O-N 3.01Å; L207-L281 HydrophobicContact CD1-CD1 4.28Å; L207-L281 HydrophobicContact CD1-CD2 4.45Å |
| 208 | T | 93.4 | Very high | 93.3 | Very high | 35 Ų | 35 | 40 Ų | 40 | 22% | 0.215 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.9 | -51.4 | 179.2 | -49 | 0 | 0 | 0 | 0 | 109.9 | I198 S202 D204 P205 F210 R211 L212 | I198-T208 HydrophobicContact CG1-CG2 4.37Å; I198-T208 HydrophobicContact CG2-CG2 3.9Å; S202-T208 WeakPolarHBondContact CB-OG1 3.41Å; S202-T208 PolarHBondContact OG-OG1 3.47Å; D204-T208 PolarHBondContact O-N 3.05Å; D204-T208 VanDerWaalsContact O-N 3.12Å; D204-T208 PolarHBondContact O-OG1 3.45Å; P205-T208 PolarHBondContact O-N 2.79Å; T208-F210 PolarHBondContact O-N 3.08Å; T208-R211 PolarHBondContact O-N 2.96Å; T208-L212 VanDerWaalsContact O-CB 3.24Å; T208-L212 WeakPolarHBondContact O-CB 3.18Å; T208-L212 PolarHBondContact O-N 3Å |
| 209 | A | 95.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.6 | -47.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | I198 P205 R211 L212 S213 F240 A241 | I198-A209 HydrophobicContact CD1-CB 4.49Å; P205-A209 VanDerWaalsContact O-CB 3.29Å; P205-A209 WeakPolarHBondContact O-CB 3.45Å; P205-A209 PolarHBondContact O-N 2.84Å; A209-R211 PolarHBondContact O-N 3.22Å; A209-L212 PolarHBondContact O-N 2.95Å; A209-S213 WeakPolarHBondContact O-CB 3.45Å; A209-S213 PolarHBondContact O-N 3.48Å; A209-S213 PolarHBondContact O-OG 3.34Å; A209-F240 HydrophobicContact CB-CD1 3.95Å; A209-F240 HydrophobicContact CB-CE1 4.4Å; A209-A241 HydrophobicContact CB-CB 4.17Å |
| 210 | F | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.2 | -36.4 | 178.8 | -75.8 | 2.1 | 0 | 0 | 0 | 114.1 | V206 L207 T208 S213 W214 A241 R278 L281 A282 Y285 I287 F290 | V206-F210 HydrophobicContact CG1-CD1 4.36Å; V206-F210 HydrophobicContact CG1-CD2 4.22Å; V206-F210 HydrophobicContact CG1-CE1 3.96Å; V206-F210 HydrophobicContact CG1-CE2 3.8Å; V206-F210 HydrophobicContact CG1-CZ 3.67Å; V206-F210 VanDerWaalsContact O-CB 3.26Å; V206-F210 WeakPolarHBondContact O-CB 3.38Å; V206-F210 VanDerWaalsContact O-CD1 3.31Å; V206-F210 WeakPolarHBondContact O-CD1 3.17Å; V206-F210 WeakPolarHBondContact O-CD2 3.39Å; V206-F210 WeakPolarHBondContact O-CG 3.32Å; V206-F210 PolarHBondContact O-N 3.46Å; V206-F210 VanDerWaalsContact O-N 3.17Å; L207-F210 PolarHBondContact O-N 3.4Å; T208-F210 PolarHBondContact O-N 3.08Å; F210-S213 PolarHBondContact O-OG 3.04Å; F210-W214 PolarHBondContact O-N 3.01Å; F210-A241 HydrophobicContact CD1-CB 3.87Å; F210-A241 HydrophobicContact CE1-CB 3.46Å; F210-A241 VanDerWaalsContact CE1-CB 3.46Å; F210-A241 HydrophobicContact CZ-CB 4.49Å; F210-R278 HydrophobicContact CE2-CG 3.92Å; F210-L281 HydrophobicContact CB-CD2 4.1Å; F210-L281 HydrophobicContact CD2-CD2 3.55Å; F210-L281 HydrophobicContact CE2-CD2 4.41Å; F210-L281 HydrophobicContact CG-CD2 4.31Å; F210-A282 HydrophobicContact CE2-CB 3.75Å; F210-A282 HydrophobicContact CZ-CB 3.93Å; F210-Y285 HydrophobicContact CB-CD2 4.13Å; F210-Y285 HydrophobicContact CB-CE2 4.43Å; F210-Y285 WeakPolarHBondContact O-CD2 3.35Å; F210-I287 HydrophobicContact CB-CD1 4Å; F210-I287 HydrophobicContact CD1-CD1 3.19Å; F210-I287 HydrophobicContact CD2-CD1 4.25Å; F210-I287 HydrophobicContact CE1-CD1 3.56Å; F210-I287 HydrophobicContact CE1-CG2 4.25Å; F210-I287 HydrophobicContact CG-CD1 3.56Å; F210-I287 HydrophobicContact CZ-CD1 4.23Å; F210-F290 AromaticContact CE1-CD2 3.97Å; F210-F290 HydrophobicContact CE1-CD2 3.97Å; F210-F290 HydrophobicContact CE1-CE2 4.29Å; F210-F290 HydrophobicContact CE1-CG 4.09Å; F210-F290 HydrophobicContact CE2-CE1 4.32Å; F210-F290 HydrophobicContact CE2-CZ 4.44Å; F210-F290 HydrophobicContact CZ-CB 4.43Å; F210-F290 AromaticContact CZ-CD1 3.68Å; F210-F290 HydrophobicContact CZ-CD1 3.68Å; F210-F290 AromaticContact CZ-CD2 3.71Å; F210-F290 HydrophobicContact CZ-CD2 3.71Å; F210-F290 AromaticContact CZ-CE1 3.73Å; F210-F290 HydrophobicContact CZ-CE1 3.73Å; F210-F290 AromaticContact CZ-CE2 3.74Å; F210-F290 HydrophobicContact CZ-CE2 3.74Å; F210-F290 AromaticContact CZ-CG 3.68Å; F210-F290 HydrophobicContact CZ-CG 3.68Å; F210-F290 AromaticContact CZ-CZ 3.76Å; F210-F290 HydrophobicContact CZ-CZ 3.76Å |
| 211 | R | 94.6 | Very high | 93.2 | Very high | 138 Ų | 138 | 41.4 Ų | 41.4 | 52% | 0.521 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -72.3 | -43.7 | 175.5 | -76 | 177.2 | 172.2 | -175.9 | -3.8 | 110.9 | L207 T208 A209 W214 E215 Y285 | L207-R211 HydrophobicContact CG-CG 4.41Å; L207-R211 WeakPolarHBondContact O-CB 3.47Å; L207-R211 WeakPolarHBondContact O-CG 3.34Å; L207-R211 PolarHBondContact O-N 3.01Å; T208-R211 PolarHBondContact O-N 2.96Å; A209-R211 PolarHBondContact O-N 3.22Å; R211-W214 PolarHBondContact O-N 3.34Å; R211-E215 WeakPolarHBondContact O-CB 3.46Å; R211-E215 PolarHBondContact O-N 3.29Å; R211-Y285 HydrophobicContact CG-CE2 4.5Å |
| 212 | L | 95.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.5 | -38.1 | -177.7 | -172.2 | 58 | 0 | 0 | 0 | 111.7 | Y189 L192 A193 I198 T208 A209 W214 E215 L216 | Y189-L212 HydrophobicContact CD1-CD1 4.16Å; Y189-L212 HydrophobicContact CE1-CD1 4.29Å; L192-L212 HydrophobicContact CB-CD2 4.28Å; L192-L212 WeakPolarHBondContact O-CD2 3.42Å; A193-L212 HydrophobicContact CB-CD2 4.16Å; I198-L212 HydrophobicContact CD1-CD2 4.42Å; T208-L212 VanDerWaalsContact O-CB 3.24Å; T208-L212 WeakPolarHBondContact O-CB 3.18Å; T208-L212 PolarHBondContact O-N 3Å; A209-L212 PolarHBondContact O-N 2.95Å; L212-W214 VanDerWaalsContact C-N 3.3Å; L212-W214 PolarHBondContact O-N 3.1Å; L212-E215 PolarHBondContact O-N 3.09Å; L212-L216 HydrophobicContact CD1-CD1 4.19Å; L212-L216 HydrophobicContact CD1-CG 4.12Å; L212-L216 HydrophobicContact CG-CD1 3.82Å; L212-L216 HydrophobicContact CG-CG 4.25Å; L212-L216 VanDerWaalsContact O-CB 3.31Å; L212-L216 WeakPolarHBondContact O-CB 3.48Å; L212-L216 WeakPolarHBondContact O-CD1 3.37Å; L212-L216 WeakPolarHBondContact O-CG 3.22Å; L212-L216 PolarHBondContact O-N 3.09Å |
| 213 | S | 96.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.1 | -38.9 | 173 | 64.8 | 0 | 0 | 0 | 0 | 112 | A209 F210 Q217 S234 | A209-S213 WeakPolarHBondContact O-CB 3.45Å; A209-S213 PolarHBondContact O-N 3.48Å; A209-S213 PolarHBondContact O-OG 3.34Å; F210-S213 PolarHBondContact O-OG 3.04Å; S213-Q217 WeakPolarHBondContact O-CB 3.38Å; S213-Q217 PolarHBondContact O-N 3.29Å; S213-S234 PolarHBondContact O-OG 3.32Å |
| 214 | W | 95.2 | Very high | 93.4 | Very high | 117 Ų | 117 | 43.6 Ų | 43.6 | 44% | 0.443 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -71.2 | -39 | 175.1 | 179.9 | 79.2 | 0 | 0 | 0 | 112.7 | F210 R211 L212 R218 Y285 | F210-W214 PolarHBondContact O-N 3.01Å; R211-W214 PolarHBondContact O-N 3.34Å; L212-W214 VanDerWaalsContact C-N 3.3Å; L212-W214 PolarHBondContact O-N 3.1Å; W214-R218 WeakPolarHBondContact O-CB 3.46Å; W214-R218 PolarHBondContact O-N 3.21Å; W214-Y285 HydrophobicContact CB-CD1 3.74Å; W214-Y285 HydrophobicContact CB-CD2 4.45Å; W214-Y285 HydrophobicContact CB-CE1 3.85Å; W214-Y285 HydrophobicContact CB-CG 4.04Å; W214-Y285 AromaticContact CD1-CD1 3.38Å; W214-Y285 AromaticContact CD1-CE1 3.73Å; W214-Y285 HydrophobicContact CD2-CD1 4.23Å; W214-Y285 AromaticContact CD2-CE1 3.77Å; W214-Y285 HydrophobicContact CD2-CE1 3.77Å; W214-Y285 HydrophobicContact CE3-CE1 4.42Å; W214-Y285 AromaticContact CG-CD1 3.47Å; W214-Y285 HydrophobicContact CG-CD1 3.47Å; W214-Y285 VanDerWaalsContact CG-CD1 3.47Å; W214-Y285 AromaticContact CG-CE1 3.46Å; W214-Y285 HydrophobicContact CG-CE1 3.46Å; W214-Y285 VanDerWaalsContact CG-CE1 3.46Å; W214-Y285 HydrophobicContact CG-CG 4.26Å |
| 215 | E | 94.5 | Very high | 93.6 | Very high | 58 Ų | 58 | 50.5 Ų | 50.5 | 27% | 0.271 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.7 | -50 | 174.6 | -171.7 | 166.8 | -151.5 | 0 | 0 | 110.7 | R159 Y189 R211 L212 R218 L219 | R159-E215 IonicContact CZ-OE2 3.52Å; R159-E215 IonicContact NH1-OE1 3.66Å; R159-E215 PolarHBondContact NH1-OE1 3.41Å; R159-E215 IonicContact NH1-OE2 3.61Å; R159-E215 PolarHBondContact NH1-OE2 2.84Å; R159-E215 IonicContact NH2-OE2 3.71Å; Y189-E215 HydrophobicContact CE1-CG 4.47Å; R211-E215 WeakPolarHBondContact O-CB 3.46Å; R211-E215 PolarHBondContact O-N 3.29Å; L212-E215 PolarHBondContact O-N 3.09Å; E215-R218 PolarHBondContact O-N 3.25Å; E215-L219 WeakPolarHBondContact O-CG 3.45Å; E215-L219 PolarHBondContact O-N 3.1Å |
| 216 | L | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 176.6 | -68.1 | 166.3 | 0 | 0 | 0 | 113.1 | Y189 A193 L212 R218 L219 S220 Y230 L233 | Y189-L216 HydrophobicContact CD1-CD2 3.85Å; Y189-L216 HydrophobicContact CG-CD2 3.94Å; A193-L216 HydrophobicContact CB-CD1 4.21Å; L212-L216 HydrophobicContact CD1-CD1 4.19Å; L212-L216 HydrophobicContact CD1-CG 4.12Å; L212-L216 HydrophobicContact CG-CD1 3.82Å; L212-L216 HydrophobicContact CG-CG 4.25Å; L212-L216 VanDerWaalsContact O-CB 3.31Å; L212-L216 WeakPolarHBondContact O-CB 3.48Å; L212-L216 WeakPolarHBondContact O-CD1 3.37Å; L212-L216 WeakPolarHBondContact O-CG 3.22Å; L212-L216 PolarHBondContact O-N 3.09Å; L216-R218 VanDerWaalsContact C-N 3.31Å; L216-R218 PolarHBondContact O-N 2.96Å; L216-L219 WeakPolarHBondContact O-CB 3.16Å; L216-L219 PolarHBondContact O-N 3.27Å; L216-L219 VanDerWaalsContact O-N 3.08Å; L216-S220 PolarHBondContact O-N 3.04Å; L216-Y230 HydrophobicContact CD2-CD1 3.97Å; L216-L233 HydrophobicContact CD1-CB 3.79Å; L216-L233 HydrophobicContact CD2-CB 4.34Å |
| 217 | Q | 94.8 | Very high | 93.5 | Very high | 56 Ų | 56 | 56.6 Ų | 56.6 | 26% | 0.262 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 175.2 | -177.3 | 62.8 | 60.9 | 0 | 0 | 110.3 | S213 L219 S220 D221 | S213-Q217 WeakPolarHBondContact O-CB 3.38Å; S213-Q217 PolarHBondContact O-N 3.29Å; Q217-L219 VanDerWaalsContact C-N 3.27Å; Q217-L219 PolarHBondContact O-N 2.58Å; Q217-S220 PolarHBondContact NE2-OG 3.4Å; Q217-S220 VanDerWaalsContact NE2-OG 3.1Å; Q217-S220 WeakPolarHBondContact O-CB 3.38Å; Q217-S220 PolarHBondContact O-N 3.07Å; Q217-S220 VanDerWaalsContact O-N 3.12Å; Q217-S220 PolarHBondContact O-OG 3.41Å; Q217-D221 PolarHBondContact NE2-OD2 2.94Å; Q217-D221 PolarHBondContact O-N 3.11Å |
| 218 | R | 93.9 | Very high | 93.7 | Very high | 147 Ų | 147 | 63.1 Ų | 63.1 | 56% | 0.555 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63 | -31.1 | 176.2 | -176.4 | 179.6 | 175.4 | -148.1 | -4.1 | 112.8 | W214 E215 L216 D221 L222 | W214-R218 WeakPolarHBondContact O-CB 3.46Å; W214-R218 PolarHBondContact O-N 3.21Å; E215-R218 PolarHBondContact O-N 3.25Å; L216-R218 VanDerWaalsContact C-N 3.31Å; L216-R218 PolarHBondContact O-N 2.96Å; R218-D221 PolarHBondContact O-N 2.9Å; R218-L222 HydrophobicContact CG-CD1 4.12Å; R218-L222 WeakPolarHBondContact O-CD1 3.34Å; R218-L222 VanDerWaalsContact O-CG 3.27Å; R218-L222 WeakPolarHBondContact O-CG 3.46Å; R218-L222 PolarHBondContact O-N 2.96Å |
| 219 | L | 93.6 | Very high | 93.8 | Very high | 12 Ų | 12 | 67 Ų | 67 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -70.1 | -39.6 | 173 | -68.3 | 169.2 | 0 | 0 | 0 | 111.7 | L163 Y189 E215 L216 Q217 D221 L222 E223 Y230 | L163-L219 HydrophobicContact CD1-CD2 3.44Å; L163-L219 VanDerWaalsContact CD1-CD2 3.44Å; L163-L219 HydrophobicContact CD2-CD2 3.93Å; L163-L219 HydrophobicContact CG-CD2 4.36Å; Y189-L219 HydrophobicContact CD2-CD1 4Å; Y189-L219 HydrophobicContact CE1-CD1 4.12Å; Y189-L219 HydrophobicContact CE2-CD1 3.42Å; Y189-L219 VanDerWaalsContact CE2-CD1 3.42Å; Y189-L219 VanDerWaalsContact CZ-CD1 3.5Å; E215-L219 WeakPolarHBondContact O-CG 3.45Å; E215-L219 PolarHBondContact O-N 3.1Å; L216-L219 WeakPolarHBondContact O-CB 3.16Å; L216-L219 PolarHBondContact O-N 3.27Å; L216-L219 VanDerWaalsContact O-N 3.08Å; Q217-L219 VanDerWaalsContact C-N 3.27Å; Q217-L219 PolarHBondContact O-N 2.58Å; L219-D221 PolarHBondContact O-N 2.8Å; L219-D221 VanDerWaalsContact O-N 3.17Å; L219-L222 PolarHBondContact O-N 2.93Å; L219-E223 PolarHBondContact O-N 2.91Å; L219-Y230 HydrophobicContact CB-CD1 3.98Å; L219-Y230 HydrophobicContact CB-CD2 4.2Å; L219-Y230 HydrophobicContact CB-CE1 4.11Å; L219-Y230 HydrophobicContact CB-CE2 4.31Å; L219-Y230 HydrophobicContact CB-CG 4.02Å; L219-Y230 HydrophobicContact CD1-CD1 4.28Å; L219-Y230 HydrophobicContact CD1-CE1 3.97Å |
| 220 | S | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.1 | -16.9 | 174.3 | 82.2 | 0 | 0 | 0 | 0 | 114.3 | L216 Q217 K227 | L216-S220 PolarHBondContact O-N 3.04Å; Q217-S220 PolarHBondContact NE2-OG 3.4Å; Q217-S220 VanDerWaalsContact NE2-OG 3.1Å; Q217-S220 WeakPolarHBondContact O-CB 3.38Å; Q217-S220 PolarHBondContact O-N 3.07Å; Q217-S220 VanDerWaalsContact O-N 3.12Å; Q217-S220 PolarHBondContact O-OG 3.41Å; S220-K227 WeakPolarHBondContact CB-O 3.44Å; S220-K227 VanDerWaalsContact O-CD 3.29Å; S220-K227 WeakPolarHBondContact O-CD 3.34Å; S220-K227 WeakPolarHBondContact O-CE 3.41Å; S220-K227 VanDerWaalsContact O-CG 3.25Å; S220-K227 WeakPolarHBondContact O-CG 3.22Å; S220-K227 PolarHBondContact O-NZ 3.48Å |
| 221 | D | 92.1 | Very high | 93.9 | Very high | 93 Ų | 93 | 73.6 Ų | 73.6 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -2.9 | 174.2 | -61.8 | -43.3 | 0 | 0 | 0 | 113.1 | Q217 R218 L219 K227 | Q217-D221 PolarHBondContact NE2-OD2 2.94Å; Q217-D221 PolarHBondContact O-N 3.11Å; R218-D221 PolarHBondContact O-N 2.9Å; L219-D221 PolarHBondContact O-N 2.8Å; L219-D221 VanDerWaalsContact O-N 3.17Å; D221-K227 IonicContact OD1-NZ 3.47Å; D221-K227 PolarHBondContact OD1-NZ 2.84Å |
| 222 | L | 92.1 | Very high | 94 | Very high | 100 Ų | 100 | 73 Ų | 73 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -31.3 | 177.7 | -72.8 | 171.1 | 0 | 0 | 0 | 113.3 | L163 R218 L219 | L163-L222 HydrophobicContact CD2-CB 3.89Å; L163-L222 HydrophobicContact CD2-CD1 4.22Å; R218-L222 HydrophobicContact CG-CD1 4.12Å; R218-L222 WeakPolarHBondContact O-CD1 3.34Å; R218-L222 VanDerWaalsContact O-CG 3.27Å; R218-L222 WeakPolarHBondContact O-CG 3.46Å; R218-L222 PolarHBondContact O-N 2.96Å; L219-L222 PolarHBondContact O-N 2.93Å |
| 223 | E | 89.9 | Confident | 94 | Very high | 23 Ų | 23 | 73.4 Ų | 73.4 | 11% | 0.107 | 34% | 0.339 | C | S | . | . | trans | -115.9 | 101.9 | 177.3 | -49.9 | -158.2 | 126 | 0 | 0 | 108.5 | L163 R185 L219 E225 K227 Y230 | L163-E223 HydrophobicContact CD2-CG 3.62Å; L163-E223 HydrophobicContact CG-CG 4.45Å; R185-E223 VanDerWaalsContact CZ-CD 3.47Å; R185-E223 IonicContact CZ-OE1 3.9Å; R185-E223 IonicContact CZ-OE2 3.89Å; R185-E223 IonicContact NE-OE2 3.4Å; R185-E223 IonicContact NH1-OE1 2.92Å; R185-E223 PolarHBondContact NH1-OE1 3.22Å; R185-E223 IonicContact NH1-OE2 3.51Å; R185-E223 PolarHBondContact NH1-OE2 3.39Å; R185-E223 IonicContact NH2-OE1 3.71Å; R185-E223 PolarHBondContact NH2-OE1 2.94Å; R185-E223 IonicContact NH2-OE2 3.2Å; R185-E223 PolarHBondContact NH2-OE2 3.16Å; L219-E223 PolarHBondContact O-N 2.91Å; E223-E225 VanDerWaalsContact C-N 3.29Å; E223-E225 PolarHBondContact O-N 3.13Å; E223-K227 PolarHBondContact O-N 3.35Å; E223-Y230 HydrophobicContact CB-CE2 4.03Å; E223-Y230 HydrophobicContact CG-CE2 4.32Å; E223-Y230 WeakPolarHBondContact OE2-CE2 3.37Å; E223-Y230 VanDerWaalsContact OE2-CZ 3.29Å; E223-Y230 PolarHBondContact OE2-OH 3.5Å | ||
| 224 | C | 90.7 | Very high | 94.1 | Very high | 100 Ų | 100 | 73.3 Ų | 73.3 | 68% | 0.676 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -70.6 | -29.1 | -175.3 | -67.8 | 0 | 0 | 0 | 0 | 112.2 | K227 | C224-K227 WeakPolarHBondContact O-CB 3.3Š|
| 225 | E | 91.2 | Very high | 94.1 | Very high | 152 Ų | 152 | 70.2 Ų | 70.2 | 71% | 0.71 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -38.4 | -173.4 | -56.5 | 78.3 | -174.2 | 0 | 0 | 112.1 | E223 | E223-E225 VanDerWaalsContact C-N 3.29Å; E223-E225 PolarHBondContact O-N 3.13Å |
| 226 | F | 91.9 | Very high | 94.1 | Very high | 45 Ų | 45 | 70.9 Ų | 70.9 | 20% | 0.197 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114 | 22.6 | -178.9 | -60.5 | -74.8 | 0 | 0 | 0 | 112.3 | L179 I186 E228 F229 Y230 | L179-F226 HydrophobicContact CD1-CZ 4.2Å; I186-F226 HydrophobicContact CD1-CB 3.84Å; I186-F226 HydrophobicContact CD1-CD1 3.56Å; I186-F226 HydrophobicContact CD1-CD2 3.64Å; I186-F226 HydrophobicContact CD1-CE1 3.93Å; I186-F226 HydrophobicContact CD1-CE2 4Å; I186-F226 HydrophobicContact CD1-CG 3.39Å; I186-F226 HydrophobicContact CD1-CZ 4.13Å; F226-E228 VanDerWaalsContact C-N 3.3Å; F226-E228 PolarHBondContact O-N 3.47Å; F226-F229 HydrophobicContact CB-CD2 4.44Å; F226-F229 HydrophobicContact CD1-CD2 4.04Å; F226-F229 HydrophobicContact CD1-CE2 4.32Å; F226-F229 PolarHBondContact O-N 3.05Å; F226-Y230 HydrophobicContact CB-CD2 4.14Å; F226-Y230 HydrophobicContact CB-CE2 4.02Å; F226-Y230 WeakPolarHBondContact O-CD2 3.15Å; F226-Y230 PolarHBondContact O-N 2.82Å; F226-Y230 VanDerWaalsContact O-N 3.17Å |
| 227 | K | 93.7 | Very high | 94.2 | Very high | 86 Ų | 86 | 70.9 Ų | 70.9 | 37% | 0.374 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -52.2 | -45.7 | -175.2 | 174.8 | 162.2 | -164.2 | 118.2 | 0 | 112.9 | S220 D221 E223 C224 Y230 W231 | S220-K227 WeakPolarHBondContact CB-O 3.44Å; S220-K227 VanDerWaalsContact O-CD 3.29Å; S220-K227 WeakPolarHBondContact O-CD 3.34Å; S220-K227 WeakPolarHBondContact O-CE 3.41Å; S220-K227 VanDerWaalsContact O-CG 3.25Å; S220-K227 WeakPolarHBondContact O-CG 3.22Å; S220-K227 PolarHBondContact O-NZ 3.48Å; D221-K227 IonicContact OD1-NZ 3.47Å; D221-K227 PolarHBondContact OD1-NZ 2.84Å; E223-K227 PolarHBondContact O-N 3.35Å; C224-K227 WeakPolarHBondContact O-CB 3.3Å; K227-Y230 PolarHBondContact O-N 3.42Å; K227-W231 VanDerWaalsContact O-CB 3.31Å; K227-W231 WeakPolarHBondContact O-CB 3.29Å; K227-W231 PolarHBondContact O-N 3.38Å |
| 228 | E | 95.1 | Very high | 94.2 | Very high | 160 Ų | 160 | 69.5 Ų | 69.5 | 75% | 0.748 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.7 | -44.3 | -176.2 | -60.6 | -172.1 | 157.2 | 0 | 0 | 111.7 | F226 W231 E232 | F226-E228 VanDerWaalsContact C-N 3.3Å; F226-E228 PolarHBondContact O-N 3.47Å; E228-W231 PolarHBondContact O-N 3.15Å; E228-E232 WeakPolarHBondContact O-CB 3.49Å; E228-E232 PolarHBondContact O-N 2.92Å |
| 229 | F | 94.6 | Very high | 94.3 | Very high | 116 Ų | 116 | 68.4 Ų | 68.4 | 51% | 0.509 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.4 | -47.9 | 175.3 | -66.9 | -74.3 | 0 | 0 | 0 | 112.5 | F226 W231 E232 L233 | F226-F229 HydrophobicContact CB-CD2 4.44Å; F226-F229 HydrophobicContact CD1-CD2 4.04Å; F226-F229 HydrophobicContact CD1-CE2 4.32Å; F226-F229 PolarHBondContact O-N 3.05Å; F229-W231 VanDerWaalsContact C-N 3.28Å; F229-W231 PolarHBondContact O-N 3.39Å; F229-E232 PolarHBondContact O-N 3.25Å; F229-L233 VanDerWaalsContact O-CG 3.31Å; F229-L233 WeakPolarHBondContact O-CG 3.33Å; F229-L233 PolarHBondContact O-N 3.07Å |
| 230 | Y | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.8 | -33.9 | 177.8 | -72.9 | -59.6 | 0 | 0 | 0 | 112.4 | R185 I186 Y189 L216 L219 E223 F226 K227 S234 | R185-Y230 PolarHBondContact NE-OH 2.74Å; I186-Y230 HydrophobicContact CG1-CE1 4.26Å; I186-Y230 HydrophobicContact CG1-CE2 4.48Å; Y189-Y230 HydrophobicContact CD2-CE1 4.01Å; L216-Y230 HydrophobicContact CD2-CD1 3.97Å; L219-Y230 HydrophobicContact CB-CD1 3.98Å; L219-Y230 HydrophobicContact CB-CD2 4.2Å; L219-Y230 HydrophobicContact CB-CE1 4.11Å; L219-Y230 HydrophobicContact CB-CE2 4.31Å; L219-Y230 HydrophobicContact CB-CG 4.02Å; L219-Y230 HydrophobicContact CD1-CD1 4.28Å; L219-Y230 HydrophobicContact CD1-CE1 3.97Å; E223-Y230 HydrophobicContact CB-CE2 4.03Å; E223-Y230 HydrophobicContact CG-CE2 4.32Å; E223-Y230 WeakPolarHBondContact OE2-CE2 3.37Å; E223-Y230 VanDerWaalsContact OE2-CZ 3.29Å; E223-Y230 PolarHBondContact OE2-OH 3.5Å; F226-Y230 HydrophobicContact CB-CD2 4.14Å; F226-Y230 HydrophobicContact CB-CE2 4.02Å; F226-Y230 WeakPolarHBondContact O-CD2 3.15Å; F226-Y230 PolarHBondContact O-N 2.82Å; F226-Y230 VanDerWaalsContact O-N 3.17Å; K227-Y230 PolarHBondContact O-N 3.42Å; Y230-S234 WeakPolarHBondContact O-CB 3.43Å; Y230-S234 PolarHBondContact O-N 2.96Å |
| 231 | W | 95.6 | Very high | 94.4 | Very high | 138 Ų | 138 | 68 Ų | 68 | 52% | 0.523 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.8 | -42.7 | 175.4 | -179.9 | 72.1 | 0 | 0 | 0 | 112.2 | K227 E228 F229 S234 E235 | K227-W231 VanDerWaalsContact O-CB 3.31Å; K227-W231 WeakPolarHBondContact O-CB 3.29Å; K227-W231 PolarHBondContact O-N 3.38Å; E228-W231 PolarHBondContact O-N 3.15Å; F229-W231 VanDerWaalsContact C-N 3.28Å; F229-W231 PolarHBondContact O-N 3.39Å; W231-S234 WeakPolarHBondContact O-CB 3.37Å; W231-S234 PolarHBondContact O-N 3.01Å; W231-E235 PolarHBondContact O-N 3.27Å |
| 232 | E | 96.6 | Very high | 94.5 | Very high | 125 Ų | 125 | 64.1 Ų | 64.1 | 58% | 0.584 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.6 | -48.6 | 174.8 | -173.2 | -174.3 | -168.8 | 0 | 0 | 111.4 | E228 F229 S234 E235 Q236 | E228-E232 WeakPolarHBondContact O-CB 3.49Å; E228-E232 PolarHBondContact O-N 2.92Å; F229-E232 PolarHBondContact O-N 3.25Å; E232-S234 VanDerWaalsContact C-N 3.27Å; E232-S234 PolarHBondContact O-N 3.23Å; E232-E235 CarbonylContact O-C 3.53Å; E232-E235 PolarHBondContact O-N 2.9Å; E232-Q236 PolarHBondContact O-N 3.15Å |
| 233 | L | 96.5 | Very high | 94.6 | Very high | 11 Ų | 11 | 61.4 Ų | 61.4 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.2 | -34.7 | 176.1 | -64.8 | 176.5 | 0 | 0 | 0 | 112.1 | R190 A193 L216 F229 C237 | R190-L233 HydrophobicContact CB-CD1 4Å; R190-L233 HydrophobicContact CB-CD2 4.07Å; R190-L233 HydrophobicContact CG-CD2 3.95Å; A193-L233 HydrophobicContact CB-CB 4.31Å; A193-L233 HydrophobicContact CB-CD2 4.29Å; L216-L233 HydrophobicContact CD1-CB 3.79Å; L216-L233 HydrophobicContact CD2-CB 4.34Å; F229-L233 VanDerWaalsContact O-CG 3.31Å; F229-L233 WeakPolarHBondContact O-CG 3.33Å; F229-L233 PolarHBondContact O-N 3.07Å; L233-C237 PolarHBondContact O-N 3.35Å; L233-C237 VanDerWaalsContact O-N 3.09Å; L233-C237 PolarHBondContact O-SG 3.48Å |
| 234 | S | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 172.1 | -177 | 0 | 0 | 0 | 0 | 111.1 | S213 Y230 W231 E232 C237 K238 | S213-S234 PolarHBondContact O-OG 3.32Å; Y230-S234 WeakPolarHBondContact O-CB 3.43Å; Y230-S234 PolarHBondContact O-N 2.96Å; W231-S234 WeakPolarHBondContact O-CB 3.37Å; W231-S234 PolarHBondContact O-N 3.01Å; E232-S234 VanDerWaalsContact C-N 3.27Å; E232-S234 PolarHBondContact O-N 3.23Å; S234-C237 WeakPolarHBondContact O-CB 3.27Å; S234-C237 PolarHBondContact O-N 3.26Å; S234-K238 WeakPolarHBondContact O-CE 3.38Å; S234-K238 VanDerWaalsContact O-CG 3.32Å; S234-K238 WeakPolarHBondContact O-CG 3.34Å; S234-K238 PolarHBondContact O-N 3.34Å; S234-K238 WeakPolarHBondContact OG-CE 3.19Å; S234-K238 PolarHBondContact OG-NZ 2.89Å |
| 235 | E | 95.3 | Very high | 95 | Very high | 52 Ų | 52 | 55.8 Ų | 55.8 | 24% | 0.243 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.5 | -37.9 | 178.3 | -158.8 | 57.7 | -141.5 | 0 | 0 | 112.3 | W231 E232 C237 K238 K239 Q289 | W231-E235 PolarHBondContact O-N 3.27Å; E232-E235 CarbonylContact O-C 3.53Å; E232-E235 PolarHBondContact O-N 2.9Å; E235-C237 VanDerWaalsContact C-N 3.32Å; E235-C237 PolarHBondContact O-N 3.13Å; E235-K238 PolarHBondContact O-N 3.39Å; E235-K238 WeakPolarHBondContact OE2-CD 3.47Å; E235-K238 WeakPolarHBondContact OE2-CE 3.37Å; E235-K238 IonicContact OE2-NZ 2.71Å; E235-K238 PolarHBondContact OE2-NZ 3.12Å; E235-K239 VanDerWaalsContact O-CB 3.3Å; E235-K239 WeakPolarHBondContact O-CB 3.38Å; E235-K239 PolarHBondContact O-N 2.86Å; E235-Q289 PolarHBondContact OE1-NE2 2.75Å |
| 236 | Q | 95.9 | Very high | 95.1 | Very high | 73 Ų | 73 | 50.7 Ų | 50.7 | 34% | 0.341 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -56.6 | -45.3 | 170.5 | -170.2 | -174.2 | 28.2 | 0 | 0 | 111.2 | E232 K239 F240 | E232-Q236 PolarHBondContact O-N 3.15Å; Q236-K239 PolarHBondContact O-N 3.49Å; Q236-F240 WeakPolarHBondContact O-CB 3.4Å; Q236-F240 PolarHBondContact O-N 3.4Å |
| 237 | C | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.1 | -42.1 | 175.2 | -71.3 | 0 | 0 | 0 | 0 | 112.5 | L233 S234 E235 A241 | L233-C237 PolarHBondContact O-N 3.35Å; L233-C237 VanDerWaalsContact O-N 3.09Å; L233-C237 PolarHBondContact O-SG 3.48Å; S234-C237 WeakPolarHBondContact O-CB 3.27Å; S234-C237 PolarHBondContact O-N 3.26Å; E235-C237 VanDerWaalsContact C-N 3.32Å; E235-C237 PolarHBondContact O-N 3.13Å; C237-A241 PolarHBondContact O-N 3.12Å |
| 238 | K | 95.3 | Very high | 95.3 | Very high | 26 Ų | 26 | 46 Ų | 46 | 11% | 0.113 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.8 | -46.7 | 176.4 | -66.1 | 168.6 | -136.4 | 151.6 | 0 | 110.9 | S234 E235 A241 C242 I287 | S234-K238 WeakPolarHBondContact O-CE 3.38Å; S234-K238 VanDerWaalsContact O-CG 3.32Å; S234-K238 WeakPolarHBondContact O-CG 3.34Å; S234-K238 PolarHBondContact O-N 3.34Å; S234-K238 WeakPolarHBondContact OG-CE 3.19Å; S234-K238 PolarHBondContact OG-NZ 2.89Å; E235-K238 PolarHBondContact O-N 3.39Å; E235-K238 WeakPolarHBondContact OE2-CD 3.47Å; E235-K238 WeakPolarHBondContact OE2-CE 3.37Å; E235-K238 IonicContact OE2-NZ 2.71Å; E235-K238 PolarHBondContact OE2-NZ 3.12Å; K238-A241 PolarHBondContact O-N 3.28Å; K238-C242 PolarHBondContact O-N 3.06Å; K238-C242 VanDerWaalsContact O-N 3.14Å; K238-C242 PolarHBondContact O-SG 3.45Å; K238-I287 HydrophobicContact CB-CG2 4.1Å; K238-I287 HydrophobicContact CG-CG2 4.03Å |
| 239 | K | 95.4 | Very high | 95.2 | Very high | 125 Ų | 125 | 47.6 Ų | 47.6 | 54% | 0.543 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.5 | -48 | 178.1 | -176.4 | 177.9 | 178.6 | -179.3 | 0 | 111.6 | E235 Q236 A241 C242 D243 | E235-K239 VanDerWaalsContact O-CB 3.3Å; E235-K239 WeakPolarHBondContact O-CB 3.38Å; E235-K239 PolarHBondContact O-N 2.86Å; Q236-K239 PolarHBondContact O-N 3.49Å; K239-A241 VanDerWaalsContact C-N 3.3Å; K239-A241 PolarHBondContact O-N 3.14Å; K239-C242 CarbonylContact O-C 3.5Å; K239-C242 WeakPolarHBondContact O-CA 3.28Å; K239-C242 WeakPolarHBondContact O-CB 3.37Å; K239-C242 PolarHBondContact O-N 3.14Å; K239-D243 PolarHBondContact O-N 2.94Å |
| 240 | F | 95.7 | Very high | 95 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.1 | -41.1 | 175.4 | 169.1 | -112.9 | 0 | 0 | 0 | 112.8 | P195 I198 P205 A209 Q236 C242 D243 L244 Y725 | P195-F240 HydrophobicContact CB-CD2 3.62Å; P195-F240 HydrophobicContact CB-CE2 3.84Å; P195-F240 HydrophobicContact CB-CG 4.29Å; P195-F240 HydrophobicContact CG-CB 4.46Å; P195-F240 HydrophobicContact CG-CD2 4.13Å; P195-F240 HydrophobicContact CG-CG 4.44Å; I198-F240 HydrophobicContact CB-CE1 3.84Å; I198-F240 HydrophobicContact CB-CZ 4.29Å; I198-F240 HydrophobicContact CD1-CD1 4.25Å; I198-F240 HydrophobicContact CD1-CE1 4.31Å; I198-F240 HydrophobicContact CG2-CD1 4.46Å; I198-F240 HydrophobicContact CG2-CE1 3.57Å; I198-F240 HydrophobicContact CG2-CZ 4.25Å; P205-F240 HydrophobicContact CB-CE1 4.14Å; P205-F240 HydrophobicContact CB-CZ 4.24Å; A209-F240 HydrophobicContact CB-CD1 3.95Å; A209-F240 HydrophobicContact CB-CE1 4.4Å; Q236-F240 WeakPolarHBondContact O-CB 3.4Å; Q236-F240 PolarHBondContact O-N 3.4Å; F240-C242 VanDerWaalsContact C-N 3.3Å; F240-C242 PolarHBondContact O-N 3.28Å; F240-D243 PolarHBondContact O-N 3.39Å; F240-L244 HydrophobicContact CD1-CD1 4.3Å; F240-L244 HydrophobicContact CD2-CG 4.4Å; F240-L244 HydrophobicContact CE1-CD1 3.69Å; F240-L244 HydrophobicContact CE2-CD1 4.01Å; F240-L244 HydrophobicContact CE2-CD2 4.3Å; F240-L244 HydrophobicContact CE2-CG 3.98Å; F240-L244 HydrophobicContact CZ-CD1 3.55Å; F240-L244 HydrophobicContact CZ-CD2 4.42Å; F240-L244 HydrophobicContact CZ-CG 4.06Å; F240-L244 WeakPolarHBondContact O-CG 3.46Å; F240-L244 PolarHBondContact O-N 2.88Å; F240-Y725 AromaticContact CD2-CE1 3.94Å; F240-Y725 HydrophobicContact CD2-CE1 3.94Å; F240-Y725 HydrophobicContact CD2-CE2 4.15Å; F240-Y725 AromaticContact CD2-CZ 3.69Å; F240-Y725 AromaticContact CE2-CD1 4Å; F240-Y725 HydrophobicContact CE2-CD1 4Å; F240-Y725 AromaticContact CE2-CE1 3.65Å; F240-Y725 HydrophobicContact CE2-CE1 3.65Å; F240-Y725 HydrophobicContact CE2-CE2 4.45Å; F240-Y725 AromaticContact CE2-CZ 3.9Å |
| 241 | A | 94.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.8 | -29.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | A209 F210 C237 K238 K239 L245 F290 | A209-A241 HydrophobicContact CB-CB 4.17Å; F210-A241 HydrophobicContact CD1-CB 3.87Å; F210-A241 HydrophobicContact CE1-CB 3.46Å; F210-A241 VanDerWaalsContact CE1-CB 3.46Å; F210-A241 HydrophobicContact CZ-CB 4.49Å; C237-A241 PolarHBondContact O-N 3.12Å; K238-A241 PolarHBondContact O-N 3.28Å; K239-A241 VanDerWaalsContact C-N 3.3Å; K239-A241 PolarHBondContact O-N 3.14Å; A241-L245 PolarHBondContact O-N 3.41Å; A241-F290 HydrophobicContact CB-CD2 4.37Å; A241-F290 WeakPolarHBondContact O-CD2 3.34Å |
| 242 | C | 94.4 | Very high | 94.1 | Very high | 12 Ų | 12 | 48 Ų | 48 | 8% | 0.081 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -73.9 | -42.9 | 171.9 | -58 | 0 | 0 | 0 | 0 | 111.6 | K238 K239 F240 L244 L245 S246 Q289 F290 | K238-C242 PolarHBondContact O-N 3.06Å; K238-C242 VanDerWaalsContact O-N 3.14Å; K238-C242 PolarHBondContact O-SG 3.45Å; K239-C242 CarbonylContact O-C 3.5Å; K239-C242 WeakPolarHBondContact O-CA 3.28Å; K239-C242 WeakPolarHBondContact O-CB 3.37Å; K239-C242 PolarHBondContact O-N 3.14Å; F240-C242 VanDerWaalsContact C-N 3.3Å; F240-C242 PolarHBondContact O-N 3.28Å; C242-L244 VanDerWaalsContact C-N 3.33Å; C242-L244 PolarHBondContact O-N 3.12Å; C242-L245 CarbonylContact O-C 3.57Å; C242-L245 WeakPolarHBondContact O-CA 3.36Å; C242-L245 WeakPolarHBondContact O-CB 3.49Å; C242-L245 PolarHBondContact O-N 3.18Å; C242-S246 PolarHBondContact O-N 3.03Å; C242-Q289 VanDerWaalsContact SG-CB 3.54Å; C242-F290 WeakPolarHBondContact SG-CA 3.32Å; C242-F290 PolarHBondContact SG-N 2.84Å |
| 243 | D | 95 | Very high | 93.8 | Very high | 42 Ų | 42 | 42.8 Ų | 42.8 | 23% | 0.225 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 175.8 | -73.3 | -32.8 | 0 | 0 | 0 | 111.1 | K239 F240 L245 S246 Q247 Y725 | K239-D243 PolarHBondContact O-N 2.94Å; F240-D243 PolarHBondContact O-N 3.39Å; D243-L245 VanDerWaalsContact C-N 3.3Å; D243-L245 PolarHBondContact O-N 3.26Å; D243-S246 WeakPolarHBondContact O-CB 3.36Å; D243-S246 PolarHBondContact O-N 3.25Å; D243-S246 VanDerWaalsContact O-N 3.12Å; D243-S246 PolarHBondContact O-OG 2.82Å; D243-Q247 PolarHBondContact O-N 3.33Å; D243-Y725 HydrophobicContact CB-CD2 4.04Å; D243-Y725 HydrophobicContact CB-CE2 3.65Å |
| 244 | L | 94.5 | Very high | 93.6 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.6 | -38.2 | 171.6 | -76.5 | 175.8 | 0 | 0 | 0 | 112.8 | P205 V206 F240 C242 S246 Q247 V722 Y725 | P205-L244 HydrophobicContact CB-CD1 3.93Å; P205-L244 HydrophobicContact CG-CD1 3.94Å; V206-L244 HydrophobicContact CG2-CB 4.43Å; V206-L244 HydrophobicContact CG2-CD1 3.91Å; F240-L244 HydrophobicContact CD1-CD1 4.3Å; F240-L244 HydrophobicContact CD2-CG 4.4Å; F240-L244 HydrophobicContact CE1-CD1 3.69Å; F240-L244 HydrophobicContact CE2-CD1 4.01Å; F240-L244 HydrophobicContact CE2-CD2 4.3Å; F240-L244 HydrophobicContact CE2-CG 3.98Å; F240-L244 HydrophobicContact CZ-CD1 3.55Å; F240-L244 HydrophobicContact CZ-CD2 4.42Å; F240-L244 HydrophobicContact CZ-CG 4.06Å; F240-L244 WeakPolarHBondContact O-CG 3.46Å; F240-L244 PolarHBondContact O-N 2.88Å; C242-L244 VanDerWaalsContact C-N 3.33Å; C242-L244 PolarHBondContact O-N 3.12Å; L244-S246 VanDerWaalsContact C-N 3.32Å; L244-Q247 PolarHBondContact O-N 3.4Å; L244-V722 HydrophobicContact CD2-CG2 4.22Å; L244-Y725 HydrophobicContact CD2-CG 4.17Å |
| 245 | L | 93.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.9 | -30.5 | 175.7 | -174.9 | 62.5 | 0 | 0 | 0 | 112 | A241 C242 D243 Q247 C248 V254 V257 F290 H293 C296 | A241-L245 PolarHBondContact O-N 3.41Å; C242-L245 CarbonylContact O-C 3.57Å; C242-L245 WeakPolarHBondContact O-CA 3.36Å; C242-L245 WeakPolarHBondContact O-CB 3.49Å; C242-L245 PolarHBondContact O-N 3.18Å; D243-L245 VanDerWaalsContact C-N 3.3Å; D243-L245 PolarHBondContact O-N 3.26Å; L245-Q247 PolarHBondContact O-N 2.91Å; L245-C248 WeakPolarHBondContact O-CB 3.35Å; L245-C248 PolarHBondContact O-N 2.88Å; L245-V254 HydrophobicContact CD1-CG1 4.41Å; L245-V257 HydrophobicContact CD1-CG1 4.44Å; L245-F290 HydrophobicContact CB-CD2 4.39Å; L245-F290 HydrophobicContact CB-CE2 3.99Å; L245-F290 HydrophobicContact CD2-CD2 4.01Å; L245-F290 HydrophobicContact CD2-CE1 4.47Å; L245-F290 HydrophobicContact CD2-CE2 3.8Å; L245-F290 HydrophobicContact CD2-CG 4.44Å; L245-F290 HydrophobicContact CD2-CZ 4.04Å; L245-F290 HydrophobicContact CG-CE2 4.35Å; L245-H293 HydrophobicContact CD2-CB 3.78Å; L245-C296 HydrophobicContact CD2-CB 4.24Å |
| 246 | S | 94.4 | Very high | 92.5 | Very high | 45 Ų | 45 | 43.5 Ų | 43.5 | 32% | 0.315 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.2 | -21.2 | 172.9 | 82.5 | 0 | 0 | 0 | 0 | 113.7 | C242 D243 L244 C248 | C242-S246 PolarHBondContact O-N 3.03Å; D243-S246 WeakPolarHBondContact O-CB 3.36Å; D243-S246 PolarHBondContact O-N 3.25Å; D243-S246 VanDerWaalsContact O-N 3.12Å; D243-S246 PolarHBondContact O-OG 2.82Å; L244-S246 VanDerWaalsContact C-N 3.32Å; S246-C248 VanDerWaalsContact C-N 3.29Å; S246-C248 PolarHBondContact O-N 3.46Å |
| 247 | Q | 94.5 | Very high | 92.1 | Very high | 25 Ų | 25 | 40.1 Ų | 40.1 | 12% | 0.117 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -4 | 178.1 | -59.8 | -49.4 | -60.4 | 0 | 0 | 113.8 | D243 L244 L245 R249 L721 R724 | D243-Q247 PolarHBondContact O-N 3.33Å; L244-Q247 PolarHBondContact O-N 3.4Å; L245-Q247 PolarHBondContact O-N 2.91Å; Q247-R249 PolarHBondContact O-N 3.3Å; Q247-L721 HydrophobicContact CB-CD2 4.06Å; Q247-L721 WeakPolarHBondContact O-CD2 3.35Å; Q247-R724 HydrophobicContact CB-CB 4.15Å; Q247-R724 HydrophobicContact CG-CB 4.33Å; Q247-R724 PolarHBondContact O-NH1 3.35Å |
| 248 | C | 94.3 | Very high | 91.5 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 5% | 0.047 | 21% | 0.205 | C | C | . | . | trans | -74.7 | 120.3 | 175.8 | -62.8 | 0 | 0 | 0 | 0 | 110.5 | L245 S246 E253 V254 L721 | L245-C248 WeakPolarHBondContact O-CB 3.35Å; L245-C248 PolarHBondContact O-N 2.88Å; S246-C248 VanDerWaalsContact C-N 3.29Å; S246-C248 PolarHBondContact O-N 3.46Å; C248-E253 HydrophobicContact CB-CB 4.09Å; C248-V254 HydrophobicContact CB-CG2 3.55Å; C248-L721 HydrophobicContact CB-CD2 4.29Å; C248-L721 VanDerWaalsContact SG-CD2 3.58Å | ||
| 249 | R | 92.6 | Very high | 90.5 | Very high | 195 Ų | 195 | 40.3 Ų | 40.3 | 74% | 0.736 | 21% | 0.208 | S | C | * | . | trans | -103.1 | -11.7 | -176.9 | -64.2 | -179.7 | -175.6 | 178.5 | 1.3 | 113.4 | Q247 E253 | Q247-R249 PolarHBondContact O-N 3.3Å; R249-E253 PolarHBondContact N-OE2 3.45Å | ||
| 250 | S | 91.5 | Very high | 89 | Confident | 45 Ų | 45 | 37.8 Ų | 37.8 | 32% | 0.315 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -130.7 | 158.9 | 176.2 | 75.6 | 0 | 0 | 0 | 0 | 112 | E252 E253 V254 | S250-E252 PolarHBondContact O-N 2.9Å; S250-E252 PolarHBondContact OG-N 3.33Å; S250-E253 PolarHBondContact O-N 3.28Å; S250-E253 WeakPolarHBondContact OG-CG 3.4Å; S250-E253 PolarHBondContact OG-N 3.47Å; S250-E253 VanDerWaalsContact OG-N 3.14Å; S250-V254 WeakPolarHBondContact O-CG2 3.36Å; S250-V254 PolarHBondContact O-N 2.74Å |
| 251 | S | 87 | Confident | 87.3 | Confident | 87 Ų | 87 | 42.2 Ų | 42.2 | 61% | 0.608 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -60.9 | -32.9 | 171.1 | 47.1 | 0 | 0 | 0 | 0 | 112.3 | V254 I255 | S251-V254 PolarHBondContact O-N 2.95Å; S251-I255 WeakPolarHBondContact O-CB 3.32Å; S251-I255 WeakPolarHBondContact O-CD1 3.4Å; S251-I255 WeakPolarHBondContact O-CG1 3.42Å; S251-I255 PolarHBondContact O-N 3.49Å |
| 252 | E | 86.3 | Confident | 85.2 | Confident | 131 Ų | 131 | 43.4 Ų | 43.4 | 61% | 0.612 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.4 | -44.6 | 174.4 | -172.6 | -172 | 175.1 | 0 | 0 | 111.8 | S250 I255 G256 | S250-E252 PolarHBondContact O-N 2.9Å; S250-E252 PolarHBondContact OG-N 3.33Å; E252-I255 PolarHBondContact O-N 3.36Å; E252-G256 PolarHBondContact O-N 2.93Å |
| 253 | E | 90.6 | Very high | 83 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 176.9 | -70.2 | 175.5 | 164.1 | 0 | 0 | 111.5 | C248 R249 S250 I255 G256 V257 I717 R724 | C248-E253 HydrophobicContact CB-CB 4.09Å; R249-E253 PolarHBondContact N-OE2 3.45Å; S250-E253 PolarHBondContact O-N 3.28Å; S250-E253 WeakPolarHBondContact OG-CG 3.4Å; S250-E253 PolarHBondContact OG-N 3.47Å; S250-E253 VanDerWaalsContact OG-N 3.14Å; E253-I255 VanDerWaalsContact C-N 3.35Å; E253-I255 PolarHBondContact O-N 3.48Å; E253-G256 PolarHBondContact O-N 3.02Å; E253-V257 WeakPolarHBondContact O-CG2 3.44Å; E253-V257 PolarHBondContact O-N 3.29Å; E253-I717 HydrophobicContact CB-CG2 4.33Å; E253-I717 HydrophobicContact CG-CG2 4.28Å; E253-R724 VanDerWaalsContact CD-NH1 3.28Å; E253-R724 IonicContact OE1-CZ 3.56Å; E253-R724 IonicContact OE1-NH1 2.62Å; E253-R724 PolarHBondContact OE1-NH1 2.88Å; E253-R724 VanDerWaalsContact OE1-NH1 3.12Å; E253-R724 IonicContact OE1-NH2 2.67Å; E253-R724 PolarHBondContact OE1-NH2 2.85Å; E253-R724 IonicContact OE2-CZ 2.68Å; E253-R724 IonicContact OE2-NH1 3.54Å; E253-R724 PolarHBondContact OE2-NH1 3.4Å; E253-R724 IonicContact OE2-NH2 3.97Å |
| 254 | V | 90.7 | Very high | 80.6 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 174.8 | 176 | 0 | 0 | 0 | 0 | 111.2 | L245 C248 S250 S251 V257 L258 H295 L299 | L245-V254 HydrophobicContact CD1-CG1 4.41Å; C248-V254 HydrophobicContact CB-CG2 3.55Å; S250-V254 WeakPolarHBondContact O-CG2 3.36Å; S250-V254 PolarHBondContact O-N 2.74Å; S251-V254 PolarHBondContact O-N 2.95Å; V254-V257 PolarHBondContact O-N 3.03Å; V254-L258 HydrophobicContact CG1-CD1 3.73Å; V254-L258 HydrophobicContact CG1-CG 4.43Å; V254-L258 WeakPolarHBondContact O-CB 3.46Å; V254-L258 WeakPolarHBondContact O-CG 3.5Å; V254-L258 PolarHBondContact O-N 3.16Å; V254-H295 HydrophobicContact CG2-CB 4.1Å; V254-L299 HydrophobicContact CG1-CD2 4.22Å |
| 255 | I | 86.1 | Confident | 78.3 | Confident | 53 Ų | 53 | 52.8 Ų | 52.8 | 27% | 0.272 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 177.5 | -68.6 | 168.5 | 0 | 0 | 0 | 110.9 | S251 E252 E253 V257 L258 N259 L274 L299 | S251-I255 WeakPolarHBondContact O-CB 3.32Å; S251-I255 WeakPolarHBondContact O-CD1 3.4Å; S251-I255 WeakPolarHBondContact O-CG1 3.42Å; S251-I255 PolarHBondContact O-N 3.49Å; E252-I255 PolarHBondContact O-N 3.36Å; E253-I255 VanDerWaalsContact C-N 3.35Å; E253-I255 PolarHBondContact O-N 3.48Å; I255-V257 VanDerWaalsContact C-N 3.28Å; I255-V257 PolarHBondContact O-N 2.7Å; I255-L258 PolarHBondContact O-N 2.71Å; I255-N259 HydrophobicContact CG2-CB 4.31Å; I255-N259 WeakPolarHBondContact O-CB 3.24Å; I255-N259 PolarHBondContact O-N 3.11Å; I255-L274 HydrophobicContact CB-CD2 4.47Å; I255-L274 HydrophobicContact CD1-CD2 4.16Å; I255-L274 HydrophobicContact CG1-CD2 3.85Å; I255-L274 HydrophobicContact CG2-CD2 3.92Å; I255-L274 HydrophobicContact CG2-CG 4.4Å; I255-L299 HydrophobicContact CD1-CD1 4.09Å; I255-L299 HydrophobicContact CG1-CD1 4.03Å; I255-L299 HydrophobicContact CG1-CD2 3.94Å |
| 256 | G | 84 | Confident | 75.9 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 16% | 0.155 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.3 | -26.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | E252 E253 | E252-G256 PolarHBondContact O-N 2.93Å; E253-G256 PolarHBondContact O-N 3.02Å |
| 257 | V | 86.5 | Confident | 73.5 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -77.6 | -46.2 | 169.4 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | V206 L245 E253 V254 I255 R278 F290 M718 L721 | V206-V257 HydrophobicContact CG1-CG1 4.4Å; V206-V257 HydrophobicContact CG2-CG1 4.24Å; L245-V257 HydrophobicContact CD1-CG1 4.44Å; E253-V257 WeakPolarHBondContact O-CG2 3.44Å; E253-V257 PolarHBondContact O-N 3.29Å; V254-V257 PolarHBondContact O-N 3.03Å; I255-V257 VanDerWaalsContact C-N 3.28Å; I255-V257 PolarHBondContact O-N 2.7Å; V257-R278 WeakPolarHBondContact O-CG 3.32Å; V257-R278 PolarHBondContact O-NE 3.09Å; V257-F290 HydrophobicContact CG1-CZ 4.15Å; V257-M718 HydrophobicContact CB-CE 4.36Å; V257-M718 HydrophobicContact CG1-CE 4.46Å; V257-M718 HydrophobicContact CG2-CE 3.96Å; V257-L721 HydrophobicContact CG2-CD1 3.47Å; V257-L721 VanDerWaalsContact CG2-CD1 3.47Å |
| 258 | L | 84.4 | Confident | 71.2 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -82 | -20.9 | -171 | -67.4 | 176.6 | 0 | 0 | 0 | 115.1 | V254 I255 L276 R278 L279 F290 L299 | V254-L258 HydrophobicContact CG1-CD1 3.73Å; V254-L258 HydrophobicContact CG1-CG 4.43Å; V254-L258 WeakPolarHBondContact O-CB 3.46Å; V254-L258 WeakPolarHBondContact O-CG 3.5Å; V254-L258 PolarHBondContact O-N 3.16Å; I255-L258 PolarHBondContact O-N 2.71Å; L258-L276 HydrophobicContact CB-CD2 4.45Å; L258-R278 WeakPolarHBondContact O-CB 3.33Å; L258-R278 PolarHBondContact O-N 2.81Å; L258-L279 HydrophobicContact CD2-CB 4.44Å; L258-L279 HydrophobicContact CD2-CD1 4.44Å; L258-F290 HydrophobicContact CD2-CE1 3.5Å; L258-F290 VanDerWaalsContact CD2-CE1 3.5Å; L258-F290 HydrophobicContact CD2-CZ 3.72Å; L258-L299 HydrophobicContact CD1-CD2 3.69Å |
| 259 | N | 73.9 | Confident | 68.7 | Low | 31 Ų | 31 | 62.6 Ų | 62.6 | 17% | 0.166 | 33% | 0.326 | C | S | . | . | trans | -110.1 | 120.1 | -179.7 | -160.5 | 16.4 | 0 | 0 | 0 | 110.3 | I255 S275 | I255-N259 HydrophobicContact CG2-CB 4.31Å; I255-N259 WeakPolarHBondContact O-CB 3.24Å; I255-N259 PolarHBondContact O-N 3.11Å; N259-S275 PolarHBondContact OD1-OG 2.9Å | ||
| 260 | K | 64.5 | Low | 66.1 | Low | 72 Ų | 72 | 64.4 Ų | 64.4 | 31% | 0.313 | 33% | 0.333 | S | S | . | . | trans | -118.5 | -39.3 | -178.2 | -174.7 | 165.6 | -178.2 | 159.9 | 0 | 113.6 | D204 | D204-K260 IonicContact OD2-NZ 2.68Å; D204-K260 PolarHBondContact OD2-NZ 3.11Å | ||
| 261 | D | 58.8 | Low | 63.8 | Low | 95 Ų | 95 | 64.8 Ų | 64.8 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | trans | -106.5 | 117.3 | -168.5 | -58.3 | -40.3 | 0 | 0 | 0 | 111 | S275 A277 | D261-S275 PolarHBondContact O-OG 2.82Å; D261-A277 HydrophobicContact CB-CB 4.15Å; D261-A277 WeakPolarHBondContact OD2-CB 3.46Å | ||
| 262 | V | 51.5 | Low | 61.9 | Low | 26 Ų | 26 | 64.7 Ų | 64.7 | 16% | 0.158 | 34% | 0.335 | C | S | . | . | trans | -80.7 | 116.3 | 164.7 | 172.3 | 0 | 0 | 0 | 0 | 107.7 | I269 | V262-I269 HydrophobicContact CG1-CD1 3.82Å; V262-I269 HydrophobicContact CG1-CG1 3.64Å | ||
| 263 | S | 48 | Very low | 60.3 | Low | 52 Ų | 52 | 62.7 Ų | 62.7 | 36% | 0.364 | 32% | 0.324 | S | S | . | . | trans | -55 | 147.9 | 167.7 | 36.7 | 0 | 0 | 0 | 0 | 110.4 | D265 D268 | S263-D265 PolarHBondContact O-N 2.9Å; S263-D268 PolarHBondContact OG-OD2 3.17Å | ||
| 264 | D | 43.9 | Very low | 59 | Low | 91 Ų | 91 | 64.3 Ų | 64.3 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -67.6 | -2.1 | -178.4 | -67.5 | -57.5 | 0 | 0 | 0 | 113.9 | P266 R707 | D264-P266 VanDerWaalsContact O-CD 3.23Å; D264-P266 WeakPolarHBondContact O-CD 3.32Å; D264-R707 IonicContact OD1-CZ 3.32Å; D264-R707 IonicContact OD1-NH1 2.79Å; D264-R707 IonicContact OD1-NH2 3.89Å; D264-R707 PolarHBondContact OD1-NH2 3.13Å |
| 265 | D | 47.5 | Very low | 57.8 | Low | 112 Ų | 112 | 65.5 Ų | 65.5 | 60% | 0.599 | 34% | 0.342 | S | S | * | . | trans | -90.8 | 100.5 | 170.4 | -79.2 | -50.7 | 0 | 0 | 0 | 111.2 | S263 Q267 D268 | S263-D265 PolarHBondContact O-N 2.9Å; D265-Q267 PolarHBondContact O-N 3.38Å; D265-D268 PolarHBondContact O-N 3.33Å | ||
| 266 | P | 43.4 | Very low | 57.5 | Low | 29 Ų | 29 | 63.1 Ų | 63.1 | 19% | 0.188 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -2.1 | -174.5 | 26.2 | -34.9 | 0 | 0 | 0 | 115.5 | D264 D268 I269 H699 I703 | D264-P266 VanDerWaalsContact O-CD 3.23Å; D264-P266 WeakPolarHBondContact O-CD 3.32Å; P266-D268 VanDerWaalsContact C-N 3.33Å; P266-I269 HydrophobicContact CB-CD1 3.74Å; P266-H699 WeakPolarHBondContact CG-CE1 3.33Å; P266-H699 WeakPolarHBondContact CG-NE2 3.42Å; P266-I703 HydrophobicContact CB-CG1 4Å; P266-I703 HydrophobicContact CG-CD1 4.03Å; P266-I703 HydrophobicContact CG-CG1 3.81Å |
| 267 | Q | 43.5 | Very low | 57.3 | Low | 169 Ų | 169 | 63.3 Ų | 63.3 | 79% | 0.79 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -28 | 169.2 | -68.9 | -170.2 | -68.9 | 0 | 0 | 112.2 | D265 I269 S271 | D265-Q267 PolarHBondContact O-N 3.38Å; Q267-I269 VanDerWaalsContact C-N 3.29Å; Q267-I269 PolarHBondContact O-N 3.5Å; Q267-S271 WeakPolarHBondContact O-CB 3.49Å; Q267-S271 PolarHBondContact O-N 3.48Å; Q267-S271 PolarHBondContact O-OG 2.84Å |
| 268 | D | 47.1 | Very low | 57.3 | Low | 41 Ų | 41 | 63.4 Ų | 63.4 | 22% | 0.219 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -18.9 | 178.4 | -76.7 | -9.9 | 0 | 0 | 0 | 112.8 | S263 D265 P266 W270 S271 K273 | S263-D268 PolarHBondContact OG-OD2 3.17Å; D265-D268 PolarHBondContact O-N 3.33Å; P266-D268 VanDerWaalsContact C-N 3.33Å; D268-W270 PolarHBondContact O-N 2.87Å; D268-W270 VanDerWaalsContact O-N 3.17Å; D268-S271 PolarHBondContact O-N 3.41Å; D268-K273 WeakPolarHBondContact OD1-CE 3.37Å; D268-K273 IonicContact OD1-NZ 2.96Å; D268-K273 PolarHBondContact OD1-NZ 3.46Å; D268-K273 IonicContact OD2-NZ 3Å |
| 269 | I | 42.1 | Very low | 57.6 | Low | 45 Ų | 45 | 63.4 Ų | 63.4 | 23% | 0.231 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -33.1 | -179.7 | -63.8 | 173.3 | 0 | 0 | 0 | 112.2 | V262 P266 Q267 L706 | V262-I269 HydrophobicContact CG1-CD1 3.82Å; V262-I269 HydrophobicContact CG1-CG1 3.64Å; P266-I269 HydrophobicContact CB-CD1 3.74Å; Q267-I269 VanDerWaalsContact C-N 3.29Å; Q267-I269 PolarHBondContact O-N 3.5Å; I269-L706 HydrophobicContact CD1-CB 4.31Å; I269-L706 HydrophobicContact CD1-CD1 3.84Å |
| 270 | W | 37.5 | Very low | 58.3 | Low | 233 Ų | 233 | 66.4 Ų | 66.4 | 88% | 0.883 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | -17.1 | 178 | -72.2 | 89.1 | 0 | 0 | 0 | 114.1 | D268 S272 | D268-W270 PolarHBondContact O-N 2.87Å; D268-W270 VanDerWaalsContact O-N 3.17Å; W270-S272 VanDerWaalsContact C-N 3.34Å; W270-S272 PolarHBondContact O-N 3.04Å; W270-S272 VanDerWaalsContact O-N 3.11Å |
| 271 | S | 43.5 | Very low | 59.5 | Low | 53 Ų | 53 | 65.2 Ų | 65.2 | 37% | 0.371 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -89.4 | 65.9 | -178.7 | 62.2 | 0 | 0 | 0 | 0 | 113.3 | Q267 D268 K273 | Q267-S271 WeakPolarHBondContact O-CB 3.49Å; Q267-S271 PolarHBondContact O-N 3.48Å; Q267-S271 PolarHBondContact O-OG 2.84Å; D268-S271 PolarHBondContact O-N 3.41Å; S271-K273 PolarHBondContact O-N 2.93Å |
| 272 | S | 45.5 | Very low | 61.1 | Low | 84 Ų | 84 | 60.7 Ų | 60.7 | 59% | 0.587 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 51.2 | -4.2 | 162.9 | 63.6 | 0 | 0 | 0 | 0 | 120.1 | W270 L274 | W270-S272 VanDerWaalsContact C-N 3.34Å; W270-S272 PolarHBondContact O-N 3.04Å; W270-S272 VanDerWaalsContact O-N 3.11Å; S272-L274 WeakPolarHBondContact O-CD1 3.49Å; S272-L274 PolarHBondContact O-N 2.88Å; S272-L274 VanDerWaalsContact O-N 3.13Å |
| 273 | K | 53.4 | Low | 63 | Low | 89 Ų | 89 | 60.5 Ų | 60.5 | 39% | 0.387 | 31% | 0.31 | S | S | . | . | trans | -87.1 | 84.8 | -175.4 | -78.3 | 179.7 | -85.3 | 165.8 | 0 | 112.3 | D268 S271 S275 E654 | D268-K273 WeakPolarHBondContact OD1-CE 3.37Å; D268-K273 IonicContact OD1-NZ 2.96Å; D268-K273 PolarHBondContact OD1-NZ 3.46Å; D268-K273 IonicContact OD2-NZ 3Å; S271-K273 PolarHBondContact O-N 2.93Å; K273-S275 PolarHBondContact O-N 2.99Å; K273-S275 VanDerWaalsContact O-N 3.11Å; K273-E654 WeakPolarHBondContact CD-OE1 3.48Å; K273-E654 WeakPolarHBondContact CE-OE1 3.45Å; K273-E654 IonicContact NZ-OE1 2.67Å; K273-E654 PolarHBondContact NZ-OE1 3.45Å | ||
| 274 | L | 62.6 | Low | 65 | Low | 50 Ų | 50 | 65.5 Ų | 65.5 | 26% | 0.262 | 33% | 0.325 | S | S | . | . | trans | -61.2 | 112.6 | 164.4 | -68.8 | 74.4 | 0 | 0 | 0 | 108.2 | I255 S272 L276 L299 I303 | I255-L274 HydrophobicContact CB-CD2 4.47Å; I255-L274 HydrophobicContact CD1-CD2 4.16Å; I255-L274 HydrophobicContact CG1-CD2 3.85Å; I255-L274 HydrophobicContact CG2-CD2 3.92Å; I255-L274 HydrophobicContact CG2-CG 4.4Å; S272-L274 WeakPolarHBondContact O-CD1 3.49Å; S272-L274 PolarHBondContact O-N 2.88Å; S272-L274 VanDerWaalsContact O-N 3.13Å; L274-L276 HydrophobicContact CB-CD2 4.28Å; L274-L276 HydrophobicContact CB-CG 3.96Å; L274-L276 HydrophobicContact CD2-CD2 4.35Å; L274-L276 PolarHBondContact O-N 3.38Å; L274-L276 VanDerWaalsContact O-N 3.14Å; L274-L299 HydrophobicContact CD2-CD2 4.27Å; L274-I303 HydrophobicContact CD2-CD1 4.33Å | ||
| 275 | S | 66.4 | Low | 67.2 | Low | 35 Ų | 35 | 63.4 Ų | 63.4 | 25% | 0.245 | 31% | 0.31 | C | S | . | . | trans | -63.8 | -20.7 | 177.7 | 67.1 | 0 | 0 | 0 | 0 | 112.2 | N259 D261 K273 A277 R280 | N259-S275 PolarHBondContact OD1-OG 2.9Å; D261-S275 PolarHBondContact O-OG 2.82Å; K273-S275 PolarHBondContact O-N 2.99Å; K273-S275 VanDerWaalsContact O-N 3.11Å; S275-A277 PolarHBondContact O-N 3.32Å; S275-A277 VanDerWaalsContact O-N 3.15Å; S275-R280 PolarHBondContact O-NE 3.39Å; S275-R280 PolarHBondContact O-NH2 3.2Å | ||
| 276 | L | 78.8 | Confident | 69.3 | Low | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.016 | 31% | 0.309 | C | S | . | . | trans | 54.3 | 30.1 | 179.3 | -69.1 | 164.5 | 0 | 0 | 0 | 111.9 | L258 L274 R278 L279 R280 M300 I303 M649 F652 | L258-L276 HydrophobicContact CB-CD2 4.45Å; L274-L276 HydrophobicContact CB-CD2 4.28Å; L274-L276 HydrophobicContact CB-CG 3.96Å; L274-L276 HydrophobicContact CD2-CD2 4.35Å; L274-L276 PolarHBondContact O-N 3.38Å; L274-L276 VanDerWaalsContact O-N 3.14Å; L276-R278 PolarHBondContact O-N 3.1Å; L276-R278 VanDerWaalsContact O-N 3.17Å; L276-L279 HydrophobicContact CB-CB 4.29Å; L276-L279 HydrophobicContact CD2-CD2 4.44Å; L276-L279 WeakPolarHBondContact O-CA 3.48Å; L276-L279 WeakPolarHBondContact O-CB 3.39Å; L276-L279 PolarHBondContact O-N 3.35Å; L276-R280 PolarHBondContact O-N 3.23Å; L276-M300 HydrophobicContact CD1-CE 4.46Å; L276-M300 HydrophobicContact CD1-SD 4.02Å; L276-M300 HydrophobicContact CD2-SD 4.43Å; L276-I303 HydrophobicContact CD1-CD1 4.18Å; L276-M649 HydrophobicContact CB-CE 4.16Å; L276-M649 HydrophobicContact CD1-CE 4.28Å; L276-M649 HydrophobicContact CD1-SD 4.11Å; L276-F652 HydrophobicContact CD1-CD2 3.63Å; L276-F652 HydrophobicContact CD1-CE2 3.79Å | ||
| 277 | A | 80.3 | Confident | 71.8 | Confident | 18 Ų | 18 | 62.6 Ų | 62.6 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -55.7 | -36.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | D261 S275 L281 | D261-A277 HydrophobicContact CB-CB 4.15Å; D261-A277 WeakPolarHBondContact OD2-CB 3.46Å; S275-A277 PolarHBondContact O-N 3.32Å; S275-A277 VanDerWaalsContact O-N 3.15Å; A277-L281 WeakPolarHBondContact O-CB 3.43Å; A277-L281 PolarHBondContact O-N 2.96Å |
| 278 | R | 87 | Confident | 74.2 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 173.5 | -171.7 | 74.3 | 65.5 | 158.4 | 0.3 | 111.8 | D204 F210 V257 L258 L276 L281 A282 | D204-R278 VanDerWaalsContact CG-NH2 3.31Å; D204-R278 IonicContact OD1-CZ 2.88Å; D204-R278 IonicContact OD1-NH1 2.79Å; D204-R278 PolarHBondContact OD1-NH1 3.35Å; D204-R278 IonicContact OD1-NH2 3.12Å; D204-R278 PolarHBondContact OD1-NH2 3.08Å; D204-R278 IonicContact OD2-CZ 3.18Å; D204-R278 IonicContact OD2-NH1 2.73Å; D204-R278 PolarHBondContact OD2-NH1 3.35Å; D204-R278 IonicContact OD2-NH2 2.7Å; D204-R278 PolarHBondContact OD2-NH2 2.79Å; F210-R278 HydrophobicContact CE2-CG 3.92Å; V257-R278 WeakPolarHBondContact O-CG 3.32Å; V257-R278 PolarHBondContact O-NE 3.09Å; L258-R278 WeakPolarHBondContact O-CB 3.33Å; L258-R278 PolarHBondContact O-N 2.81Å; L276-R278 PolarHBondContact O-N 3.1Å; L276-R278 VanDerWaalsContact O-N 3.17Å; R278-L281 CarbonylContact O-C 3.59Å; R278-L281 PolarHBondContact O-N 2.75Å; R278-A282 WeakPolarHBondContact O-CB 3.37Å; R278-A282 PolarHBondContact O-N 3Å |
| 279 | L | 89.9 | Confident | 76.4 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -71.3 | -40.2 | -177.3 | -170.3 | 65.6 | 0 | 0 | 0 | 111 | L258 L276 L281 A282 I283 V291 M300 T645 M649 | L258-L279 HydrophobicContact CD2-CB 4.44Å; L258-L279 HydrophobicContact CD2-CD1 4.44Å; L276-L279 HydrophobicContact CB-CB 4.29Å; L276-L279 HydrophobicContact CD2-CD2 4.44Å; L276-L279 WeakPolarHBondContact O-CA 3.48Å; L276-L279 WeakPolarHBondContact O-CB 3.39Å; L276-L279 PolarHBondContact O-N 3.35Å; L279-L281 PolarHBondContact O-N 2.85Å; L279-A282 PolarHBondContact O-N 2.85Å; L279-I283 HydrophobicContact CG-CD1 4.25Å; L279-I283 VanDerWaalsContact O-CG1 3.3Å; L279-I283 WeakPolarHBondContact O-CG1 3.36Å; L279-I283 PolarHBondContact O-N 3.12Å; L279-V291 HydrophobicContact CD1-CG1 4.42Å; L279-V291 HydrophobicContact CD1-CG2 4.03Å; L279-M300 HydrophobicContact CD2-CE 3.62Å; L279-M300 HydrophobicContact CD2-CG 3.97Å; L279-M300 HydrophobicContact CD2-SD 3.35Å; L279-M300 WeakPolarHBondContact CD2-SD 3.44Å; L279-T645 HydrophobicContact CD2-CG2 4.27Å; L279-M649 HydrophobicContact CD2-SD 4.19Å |
| 280 | R | 89.1 | Confident | 78.9 | Confident | 93 Ų | 93 | 57 Ų | 57 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.2 | -40.6 | 169.5 | -66.2 | -179.7 | -164.4 | -116.2 | 5.2 | 111.4 | S275 L276 K284 M649 D653 | S275-R280 PolarHBondContact O-NE 3.39Å; S275-R280 PolarHBondContact O-NH2 3.2Å; L276-R280 PolarHBondContact O-N 3.23Å; R280-K284 WeakPolarHBondContact O-CB 3.35Å; R280-K284 PolarHBondContact O-N 3.47Å; R280-M649 HydrophobicContact CG-CE 3.7Å; R280-D653 IonicContact CZ-OD1 2.89Å; R280-D653 IonicContact CZ-OD2 2.7Å; R280-D653 IonicContact NH1-OD1 2.84Å; R280-D653 PolarHBondContact NH1-OD1 2.68Å; R280-D653 IonicContact NH1-OD2 2.68Å; R280-D653 PolarHBondContact NH1-OD2 2.68Å; R280-D653 IonicContact NH2-OD1 2.64Å; R280-D653 PolarHBondContact NH2-OD1 3.12Å; R280-D653 IonicContact NH2-OD2 3.68Å |
| 281 | L | 89.2 | Confident | 81.6 | Confident | 47 Ų | 47 | 45.9 Ų | 45.9 | 25% | 0.246 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.3 | -36.9 | 177.2 | -177.5 | 147.9 | 0 | 0 | 0 | 112.8 | L207 F210 A277 R278 L279 I283 K284 Y285 | L207-L281 HydrophobicContact CD1-CD1 4.28Å; L207-L281 HydrophobicContact CD1-CD2 4.45Å; F210-L281 HydrophobicContact CB-CD2 4.1Å; F210-L281 HydrophobicContact CD2-CD2 3.55Å; F210-L281 HydrophobicContact CE2-CD2 4.41Å; F210-L281 HydrophobicContact CG-CD2 4.31Å; A277-L281 WeakPolarHBondContact O-CB 3.43Å; A277-L281 PolarHBondContact O-N 2.96Å; R278-L281 CarbonylContact O-C 3.59Å; R278-L281 PolarHBondContact O-N 2.75Å; L279-L281 PolarHBondContact O-N 2.85Å; L281-I283 VanDerWaalsContact C-N 3.35Å; L281-K284 PolarHBondContact O-N 3.15Å; L281-Y285 HydrophobicContact CD1-CE2 4.35Å; L281-Y285 HydrophobicContact CD2-CD2 3.59Å; L281-Y285 HydrophobicContact CD2-CE2 3.59Å; L281-Y285 HydrophobicContact CG-CD2 4.06Å; L281-Y285 HydrophobicContact CG-CE2 3.88Å; L281-Y285 PolarHBondContact O-N 2.6Å |
| 282 | A | 92.7 | Very high | 84 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.4 | -37.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F210 R278 L279 Y285 E286 I287 F290 V291 | F210-A282 HydrophobicContact CE2-CB 3.75Å; F210-A282 HydrophobicContact CZ-CB 3.93Å; R278-A282 WeakPolarHBondContact O-CB 3.37Å; R278-A282 PolarHBondContact O-N 3Å; L279-A282 PolarHBondContact O-N 2.85Å; A282-Y285 CarbonylContact O-C 3.48Å; A282-Y285 PolarHBondContact O-N 2.88Å; A282-E286 PolarHBondContact O-N 3.13Å; A282-E286 VanDerWaalsContact O-N 3.09Å; A282-I287 PolarHBondContact O-N 2.93Å; A282-F290 HydrophobicContact CB-CD1 3.91Å; A282-F290 HydrophobicContact CB-CE1 4.31Å; A282-V291 HydrophobicContact CB-CG2 4.19Å |
| 283 | I | 91.2 | Very high | 86.4 | Confident | 22 Ų | 22 | 41.5 Ų | 41.5 | 11% | 0.113 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.5 | -41.1 | 172.1 | -66.7 | 164.9 | 0 | 0 | 0 | 110.5 | L279 L281 Y285 E286 V291 F642 T645 K646 M649 | L279-I283 HydrophobicContact CG-CD1 4.25Å; L279-I283 VanDerWaalsContact O-CG1 3.3Å; L279-I283 WeakPolarHBondContact O-CG1 3.36Å; L279-I283 PolarHBondContact O-N 3.12Å; L281-I283 VanDerWaalsContact C-N 3.35Å; I283-Y285 VanDerWaalsContact C-N 3.29Å; I283-Y285 PolarHBondContact O-N 3.21Å; I283-E286 PolarHBondContact O-N 2.97Å; I283-E286 VanDerWaalsContact O-N 3.1Å; I283-V291 HydrophobicContact CG1-CG2 3.94Å; I283-F642 HydrophobicContact CB-CE2 4.48Å; I283-F642 HydrophobicContact CG1-CE2 4.32Å; I283-F642 HydrophobicContact CG2-CE2 4.47Å; I283-F642 HydrophobicContact CG2-CZ 4.25Å; I283-T645 HydrophobicContact CD1-CG2 4.42Å; I283-K646 HydrophobicContact CG2-CB 4.43Å; I283-K646 HydrophobicContact CG2-CG 4.18Å; I283-M649 HydrophobicContact CD1-CG 3.76Å |
| 284 | K | 89.6 | Confident | 88.4 | Confident | 158 Ų | 158 | 41.5 Ų | 41.5 | 69% | 0.687 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -63.1 | -31.9 | 176.1 | -172.8 | -171.3 | 173 | -168.4 | 0 | 113.2 | R280 L281 | R280-K284 WeakPolarHBondContact O-CB 3.35Å; R280-K284 PolarHBondContact O-N 3.47Å; L281-K284 PolarHBondContact O-N 3.15Å |
| 285 | Y | 91.4 | Very high | 89.9 | Confident | 46 Ų | 46 | 42.2 Ų | 42.2 | 18% | 0.18 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 12.8 | 175.2 | -64 | -35 | 0 | 0 | 0 | 113.1 | F210 R211 W214 L281 A282 I283 I287 | F210-Y285 HydrophobicContact CB-CD2 4.13Å; F210-Y285 HydrophobicContact CB-CE2 4.43Å; F210-Y285 WeakPolarHBondContact O-CD2 3.35Å; R211-Y285 HydrophobicContact CG-CE2 4.5Å; W214-Y285 HydrophobicContact CB-CD1 3.74Å; W214-Y285 HydrophobicContact CB-CD2 4.45Å; W214-Y285 HydrophobicContact CB-CE1 3.85Å; W214-Y285 HydrophobicContact CB-CG 4.04Å; W214-Y285 AromaticContact CD1-CD1 3.38Å; W214-Y285 AromaticContact CD1-CE1 3.73Å; W214-Y285 HydrophobicContact CD2-CD1 4.23Å; W214-Y285 AromaticContact CD2-CE1 3.77Å; W214-Y285 HydrophobicContact CD2-CE1 3.77Å; W214-Y285 HydrophobicContact CE3-CE1 4.42Å; W214-Y285 AromaticContact CG-CD1 3.47Å; W214-Y285 HydrophobicContact CG-CD1 3.47Å; W214-Y285 VanDerWaalsContact CG-CD1 3.47Å; W214-Y285 AromaticContact CG-CE1 3.46Å; W214-Y285 HydrophobicContact CG-CE1 3.46Å; W214-Y285 VanDerWaalsContact CG-CE1 3.46Å; W214-Y285 HydrophobicContact CG-CG 4.26Å; L281-Y285 HydrophobicContact CD1-CE2 4.35Å; L281-Y285 HydrophobicContact CD2-CD2 3.59Å; L281-Y285 HydrophobicContact CD2-CE2 3.59Å; L281-Y285 HydrophobicContact CG-CD2 4.06Å; L281-Y285 HydrophobicContact CG-CE2 3.88Å; L281-Y285 PolarHBondContact O-N 2.6Å; A282-Y285 CarbonylContact O-C 3.48Å; A282-Y285 PolarHBondContact O-N 2.88Å; I283-Y285 VanDerWaalsContact C-N 3.29Å; I283-Y285 PolarHBondContact O-N 3.21Å; Y285-I287 VanDerWaalsContact C-N 3.25Å; Y285-I287 WeakPolarHBondContact O-CG1 3.47Å; Y285-I287 PolarHBondContact O-N 2.83Å; Y285-I287 VanDerWaalsContact O-N 3.16Å |
| 286 | E | 91.8 | Very high | 91.2 | Very high | 124 Ų | 124 | 40.6 Ų | 40.6 | 58% | 0.579 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 37.3 | 174.5 | -51.9 | -158.7 | 141.9 | 0 | 0 | 115.1 | A282 I283 K288 F642 | A282-E286 PolarHBondContact O-N 3.13Å; A282-E286 VanDerWaalsContact O-N 3.09Å; I283-E286 PolarHBondContact O-N 2.97Å; I283-E286 VanDerWaalsContact O-N 3.1Å; E286-K288 PolarHBondContact O-N 3.25Å; E286-F642 HydrophobicContact CB-CZ 4.2Å; E286-F642 HydrophobicContact CG-CZ 4.26Å |
| 287 | I | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -81.1 | 72.5 | -177.2 | -50.6 | -177.8 | 0 | 0 | 0 | 109.6 | F210 K238 A282 Y285 Q289 F290 V291 | F210-I287 HydrophobicContact CB-CD1 4Å; F210-I287 HydrophobicContact CD1-CD1 3.19Å; F210-I287 HydrophobicContact CD2-CD1 4.25Å; F210-I287 HydrophobicContact CE1-CD1 3.56Å; F210-I287 HydrophobicContact CE1-CG2 4.25Å; F210-I287 HydrophobicContact CG-CD1 3.56Å; F210-I287 HydrophobicContact CZ-CD1 4.23Å; K238-I287 HydrophobicContact CB-CG2 4.1Å; K238-I287 HydrophobicContact CG-CG2 4.03Å; A282-I287 PolarHBondContact O-N 2.93Å; Y285-I287 VanDerWaalsContact C-N 3.25Å; Y285-I287 WeakPolarHBondContact O-CG1 3.47Å; Y285-I287 PolarHBondContact O-N 2.83Å; Y285-I287 VanDerWaalsContact O-N 3.16Å; I287-Q289 PolarHBondContact O-N 2.66Å; I287-F290 HydrophobicContact CB-CB 4.38Å; I287-F290 HydrophobicContact CG2-CB 3.63Å; I287-F290 PolarHBondContact O-N 2.71Å; I287-V291 PolarHBondContact O-N 3.21Å | ||
| 288 | K | 93.8 | Very high | 92.4 | Very high | 67 Ų | 67 | 45.9 Ų | 45.9 | 29% | 0.291 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -52 | -49 | -170.8 | -63.6 | 176 | -175.2 | 175 | 0 | 113.1 | E286 F290 V291 A292 L638 E639 F642 | E286-K288 PolarHBondContact O-N 3.25Å; K288-F290 PolarHBondContact O-N 3.26Å; K288-V291 PolarHBondContact O-N 3.17Å; K288-A292 VanDerWaalsContact O-CB 3.28Å; K288-A292 WeakPolarHBondContact O-CB 3.49Å; K288-A292 PolarHBondContact O-N 3.41Å; K288-L638 HydrophobicContact CB-CD2 3.6Å; K288-L638 HydrophobicContact CB-CG 4.11Å; K288-L638 HydrophobicContact CD-CD2 4.06Å; K288-L638 HydrophobicContact CG-CD2 4.42Å; K288-E639 IonicContact NZ-OE1 2.67Å; K288-E639 PolarHBondContact NZ-OE1 2.98Å; K288-F642 HydrophobicContact CB-CB 4.4Å; K288-F642 HydrophobicContact CB-CD2 4.36Å; K288-F642 HydrophobicContact CB-CG 4.44Å; K288-F642 HydrophobicContact CG-CB 4.25Å; K288-F642 HydrophobicContact CG-CD1 4.28Å; K288-F642 HydrophobicContact CG-CD2 4.04Å; K288-F642 HydrophobicContact CG-CE2 4.45Å; K288-F642 HydrophobicContact CG-CG 3.94Å |
| 289 | Q | 93.7 | Very high | 92.6 | Very high | 71 Ų | 71 | 46.6 Ų | 46.6 | 33% | 0.332 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -56.4 | -47.5 | 179.4 | -69.6 | 170.9 | 11.7 | 0 | 0 | 112.8 | E235 C242 I287 V291 A292 H293 L638 | E235-Q289 PolarHBondContact OE1-NE2 2.75Å; C242-Q289 VanDerWaalsContact SG-CB 3.54Å; I287-Q289 PolarHBondContact O-N 2.66Å; Q289-V291 VanDerWaalsContact C-N 3.34Å; Q289-V291 PolarHBondContact O-N 3.16Å; Q289-A292 PolarHBondContact O-N 3.03Å; Q289-H293 PolarHBondContact O-N 3.12Å; Q289-L638 HydrophobicContact CB-CD1 4.23Å; Q289-L638 HydrophobicContact CG-CD1 3.6Å |
| 290 | F | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | -177.4 | -178 | -87 | 0 | 0 | 0 | 111.6 | V206 F210 A241 C242 L245 V257 L258 A282 I287 K288 H293 | V206-F290 HydrophobicContact CG1-CE2 4.14Å; V206-F290 HydrophobicContact CG1-CZ 4.33Å; F210-F290 AromaticContact CE1-CD2 3.97Å; F210-F290 HydrophobicContact CE1-CD2 3.97Å; F210-F290 HydrophobicContact CE1-CE2 4.29Å; F210-F290 HydrophobicContact CE1-CG 4.09Å; F210-F290 HydrophobicContact CE2-CE1 4.32Å; F210-F290 HydrophobicContact CE2-CZ 4.44Å; F210-F290 HydrophobicContact CZ-CB 4.43Å; F210-F290 AromaticContact CZ-CD1 3.68Å; F210-F290 HydrophobicContact CZ-CD1 3.68Å; F210-F290 AromaticContact CZ-CD2 3.71Å; F210-F290 HydrophobicContact CZ-CD2 3.71Å; F210-F290 AromaticContact CZ-CE1 3.73Å; F210-F290 HydrophobicContact CZ-CE1 3.73Å; F210-F290 AromaticContact CZ-CE2 3.74Å; F210-F290 HydrophobicContact CZ-CE2 3.74Å; F210-F290 AromaticContact CZ-CG 3.68Å; F210-F290 HydrophobicContact CZ-CG 3.68Å; F210-F290 AromaticContact CZ-CZ 3.76Å; F210-F290 HydrophobicContact CZ-CZ 3.76Å; A241-F290 HydrophobicContact CB-CD2 4.37Å; A241-F290 WeakPolarHBondContact O-CD2 3.34Å; C242-F290 WeakPolarHBondContact SG-CA 3.32Å; C242-F290 PolarHBondContact SG-N 2.84Å; L245-F290 HydrophobicContact CB-CD2 4.39Å; L245-F290 HydrophobicContact CB-CE2 3.99Å; L245-F290 HydrophobicContact CD2-CD2 4.01Å; L245-F290 HydrophobicContact CD2-CE1 4.47Å; L245-F290 HydrophobicContact CD2-CE2 3.8Å; L245-F290 HydrophobicContact CD2-CG 4.44Å; L245-F290 HydrophobicContact CD2-CZ 4.04Å; L245-F290 HydrophobicContact CG-CE2 4.35Å; V257-F290 HydrophobicContact CG1-CZ 4.15Å; L258-F290 HydrophobicContact CD2-CE1 3.5Å; L258-F290 VanDerWaalsContact CD2-CE1 3.5Å; L258-F290 HydrophobicContact CD2-CZ 3.72Å; A282-F290 HydrophobicContact CB-CD1 3.91Å; A282-F290 HydrophobicContact CB-CE1 4.31Å; I287-F290 HydrophobicContact CB-CB 4.38Å; I287-F290 HydrophobicContact CG2-CB 3.63Å; I287-F290 PolarHBondContact O-N 2.71Å; K288-F290 PolarHBondContact O-N 3.26Å; F290-H293 WeakPolarHBondContact O-CB 3.39Å |
| 291 | V | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.8 | -44.6 | 175.8 | 179 | 0 | 0 | 0 | 0 | 110.4 | L279 A282 I283 I287 K288 Q289 H293 C296 Q297 F642 T645 | L279-V291 HydrophobicContact CD1-CG1 4.42Å; L279-V291 HydrophobicContact CD1-CG2 4.03Å; A282-V291 HydrophobicContact CB-CG2 4.19Å; I283-V291 HydrophobicContact CG1-CG2 3.94Å; I287-V291 PolarHBondContact O-N 3.21Å; K288-V291 PolarHBondContact O-N 3.17Å; Q289-V291 VanDerWaalsContact C-N 3.34Å; Q289-V291 PolarHBondContact O-N 3.16Å; V291-H293 VanDerWaalsContact C-N 3.27Å; V291-H293 PolarHBondContact O-N 2.94Å; V291-C296 PolarHBondContact O-SG 2.95Å; V291-Q297 PolarHBondContact O-NE2 3.3Å; V291-F642 HydrophobicContact CB-CD2 3.95Å; V291-F642 HydrophobicContact CG1-CD2 4.13Å; V291-F642 HydrophobicContact CG2-CD2 3.95Å; V291-F642 HydrophobicContact CG2-CE2 4.16Å; V291-T645 HydrophobicContact CG1-CG2 3.75Å |
| 292 | A | 94.6 | Very high | 92.5 | Very high | 11 Ų | 11 | 44.5 Ų | 44.5 | 9% | 0.091 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.1 | -14.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K288 Q289 Q297 L638 K641 | K288-A292 VanDerWaalsContact O-CB 3.28Å; K288-A292 WeakPolarHBondContact O-CB 3.49Å; K288-A292 PolarHBondContact O-N 3.41Å; Q289-A292 PolarHBondContact O-N 3.03Å; A292-Q297 VanDerWaalsContact O-CG 3.31Å; A292-Q297 WeakPolarHBondContact O-CG 3.44Å; A292-L638 HydrophobicContact CB-CB 4.49Å; A292-L638 HydrophobicContact CB-CG 4.25Å; A292-K641 HydrophobicContact CB-CB 3.77Å; A292-K641 HydrophobicContact CB-CD 4.1Å |
| 293 | H | 95.4 | Very high | 92.3 | Very high | 33 Ų | 33 | 45.8 Ų | 45.8 | 15% | 0.153 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -53.8 | 135.8 | -175.9 | -170.1 | -101 | 0 | 0 | 0 | 112.8 | L245 Q289 F290 V291 H295 C296 Q297 | L245-H293 HydrophobicContact CD2-CB 3.78Å; Q289-H293 PolarHBondContact O-N 3.12Å; F290-H293 WeakPolarHBondContact O-CB 3.39Å; V291-H293 VanDerWaalsContact C-N 3.27Å; V291-H293 PolarHBondContact O-N 2.94Å; H293-H295 VanDerWaalsContact C-N 3.33Å; H293-H295 AromaticContact CE1-CD2 3.54Å; H293-H295 AromaticContact CE1-CG 3.91Å; H293-H295 PolarHBondContact O-N 3.33Å; H293-H295 VanDerWaalsContact O-N 3.15Å; H293-C296 HydrophobicContact CB-CB 4.44Å; H293-C296 WeakPolarHBondContact O-CB 3.09Å; H293-C296 PolarHBondContact O-N 3.43Å; H293-Q297 PolarHBondContact O-N 2.89Å |
| 294 | P | 94.5 | Very high | 92.1 | Very high | 89 Ų | 89 | 44.8 Ų | 44.8 | 58% | 0.578 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -53 | -41.5 | -172.4 | -30.9 | 36.7 | 0 | 0 | 0 | 115.2 | Q297 Q298 | P294-Q297 PolarHBondContact O-N 3.39Å; P294-Q298 VanDerWaalsContact O-CB 3.32Å; P294-Q298 WeakPolarHBondContact O-CB 3.5Å; P294-Q298 PolarHBondContact O-N 3.03Å |
| 295 | H | 94.1 | Very high | 92 | Very high | 66 Ų | 66 | 40.8 Ų | 40.8 | 31% | 0.306 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -67.5 | -36 | 178.6 | -57.3 | -24.8 | 0 | 0 | 0 | 113 | V254 H293 L299 | V254-H295 HydrophobicContact CG2-CB 4.1Å; H293-H295 VanDerWaalsContact C-N 3.33Å; H293-H295 AromaticContact CE1-CD2 3.54Å; H293-H295 AromaticContact CE1-CG 3.91Å; H293-H295 PolarHBondContact O-N 3.33Å; H293-H295 VanDerWaalsContact O-N 3.15Å; H295-L299 PolarHBondContact O-N 3.26Å; H295-L299 VanDerWaalsContact O-N 3.16Å |
| 296 | C | 93.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.4 | -50.7 | 172.6 | 175.6 | 0 | 0 | 0 | 0 | 109.8 | L245 V291 H293 Q298 L299 M300 | L245-C296 HydrophobicContact CD2-CB 4.24Å; V291-C296 PolarHBondContact O-SG 2.95Å; H293-C296 HydrophobicContact CB-CB 4.44Å; H293-C296 WeakPolarHBondContact O-CB 3.09Å; H293-C296 PolarHBondContact O-N 3.43Å; C296-Q298 VanDerWaalsContact C-N 3.29Å; C296-Q298 PolarHBondContact O-N 3.21Å; C296-L299 PolarHBondContact O-N 3.26Å; C296-M300 WeakPolarHBondContact O-CB 3.19Å; C296-M300 VanDerWaalsContact O-CG 3.3Å; C296-M300 WeakPolarHBondContact O-CG 3.41Å; C296-M300 PolarHBondContact O-N 3.21Å |
| 297 | Q | 94 | Very high | 90.7 | Very high | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.8 | -34.6 | 179.6 | -69.4 | -60.3 | -41.8 | 0 | 0 | 113.1 | V291 A292 H293 P294 T301 T645 | V291-Q297 PolarHBondContact O-NE2 3.3Å; A292-Q297 VanDerWaalsContact O-CG 3.31Å; A292-Q297 WeakPolarHBondContact O-CG 3.44Å; H293-Q297 PolarHBondContact O-N 2.89Å; P294-Q297 PolarHBondContact O-N 3.39Å; Q297-T301 VanDerWaalsContact O-CB 3.26Å; Q297-T301 WeakPolarHBondContact O-CB 3.33Å; Q297-T301 PolarHBondContact O-N 2.96Å; Q297-T301 PolarHBondContact O-OG1 2.93Å; Q297-T645 PolarHBondContact NE2-OG1 3.2Å |
| 298 | Q | 91.9 | Very high | 89.9 | Confident | 120 Ų | 120 | 41.8 Ų | 41.8 | 56% | 0.561 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -65.5 | -46.5 | 173.6 | 179.3 | 172.8 | -11.6 | 0 | 0 | 112 | P294 C296 T301 S302 | P294-Q298 VanDerWaalsContact O-CB 3.32Å; P294-Q298 WeakPolarHBondContact O-CB 3.5Å; P294-Q298 PolarHBondContact O-N 3.03Å; C296-Q298 VanDerWaalsContact C-N 3.29Å; C296-Q298 PolarHBondContact O-N 3.21Å; Q298-T301 PolarHBondContact O-N 3.28Å; Q298-S302 PolarHBondContact O-N 3.2Å |
| 299 | L | 90.4 | Very high | 88.6 | Confident | 19 Ų | 19 | 44 Ų | 44 | 10% | 0.099 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.3 | -49 | 175.2 | -179.3 | 68.3 | 0 | 0 | 0 | 110.7 | V254 I255 L258 L274 H295 C296 T301 S302 I303 | V254-L299 HydrophobicContact CG1-CD2 4.22Å; I255-L299 HydrophobicContact CD1-CD1 4.09Å; I255-L299 HydrophobicContact CG1-CD1 4.03Å; I255-L299 HydrophobicContact CG1-CD2 3.94Å; L258-L299 HydrophobicContact CD1-CD2 3.69Å; L274-L299 HydrophobicContact CD2-CD2 4.27Å; H295-L299 PolarHBondContact O-N 3.26Å; H295-L299 VanDerWaalsContact O-N 3.16Å; C296-L299 PolarHBondContact O-N 3.26Å; L299-T301 VanDerWaalsContact C-N 3.3Å; L299-T301 PolarHBondContact O-N 2.94Å; L299-S302 WeakPolarHBondContact O-CA 3.42Å; L299-S302 WeakPolarHBondContact O-CB 3.42Å; L299-S302 PolarHBondContact O-N 3.4Å; L299-S302 PolarHBondContact O-OG 3.32Å; L299-I303 HydrophobicContact CD1-CD1 4.41Å; L299-I303 HydrophobicContact CG-CD1 4.09Å; L299-I303 WeakPolarHBondContact O-CG1 3.44Å; L299-I303 PolarHBondContact O-N 2.65Å |
| 300 | M | 90.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.6 | -38.6 | 179.6 | -67.9 | -58.3 | -75 | 0 | 0 | 112.2 | L276 L279 C296 S302 I303 W304 T645 W648 M649 F652 | L276-M300 HydrophobicContact CD1-CE 4.46Å; L276-M300 HydrophobicContact CD1-SD 4.02Å; L276-M300 HydrophobicContact CD2-SD 4.43Å; L279-M300 HydrophobicContact CD2-CE 3.62Å; L279-M300 HydrophobicContact CD2-CG 3.97Å; L279-M300 HydrophobicContact CD2-SD 3.35Å; L279-M300 WeakPolarHBondContact CD2-SD 3.44Å; C296-M300 WeakPolarHBondContact O-CB 3.19Å; C296-M300 VanDerWaalsContact O-CG 3.3Å; C296-M300 WeakPolarHBondContact O-CG 3.41Å; C296-M300 PolarHBondContact O-N 3.21Å; M300-S302 VanDerWaalsContact C-N 3.33Å; M300-S302 PolarHBondContact O-N 2.76Å; M300-I303 PolarHBondContact O-N 2.99Å; M300-W304 VanDerWaalsContact O-CB 3.31Å; M300-W304 WeakPolarHBondContact O-CB 3.2Å; M300-W304 PolarHBondContact O-N 3.33Å; M300-T645 HydrophobicContact CE-CG2 3.71Å; M300-T645 HydrophobicContact CG-CG2 4.32Å; M300-W648 HydrophobicContact CB-CE3 3.91Å; M300-W648 HydrophobicContact CB-CZ3 3.81Å; M300-M649 HydrophobicContact CE-CG 4.37Å; M300-M649 HydrophobicContact CE-SD 3.54Å; M300-M649 VanDerWaalsContact CE-SD 3.54Å; M300-F652 HydrophobicContact CE-CD2 4.03Å; M300-F652 HydrophobicContact CE-CE2 3.29Å; M300-F652 HydrophobicContact CE-CZ 3.81Å; M300-F652 HydrophobicContact SD-CE2 3.8Å; M300-F652 HydrophobicContact SD-CZ 4.45Å |
| 301 | T | 89.8 | Confident | 86.4 | Confident | 29 Ų | 29 | 44.2 Ų | 44.2 | 18% | 0.178 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.1 | -35.1 | 173.3 | -58.8 | 0 | 0 | 0 | 0 | 112.1 | Q297 Q298 L299 Y305 | Q297-T301 VanDerWaalsContact O-CB 3.26Å; Q297-T301 WeakPolarHBondContact O-CB 3.33Å; Q297-T301 PolarHBondContact O-N 2.96Å; Q297-T301 PolarHBondContact O-OG1 2.93Å; Q298-T301 PolarHBondContact O-N 3.28Å; L299-T301 VanDerWaalsContact C-N 3.3Å; L299-T301 PolarHBondContact O-N 2.94Å; T301-Y305 HydrophobicContact CG2-CD2 3.88Å; T301-Y305 HydrophobicContact CG2-CE2 4.02Å; T301-Y305 WeakPolarHBondContact O-CD2 3.22Å; T301-Y305 PolarHBondContact O-N 3.03Å |
| 302 | S | 87 | Confident | 85.3 | Confident | 68 Ų | 68 | 52.7 Ų | 52.7 | 48% | 0.476 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.2 | -36.7 | 177.6 | 73.2 | 0 | 0 | 0 | 0 | 113 | Q298 L299 M300 E306 | Q298-S302 PolarHBondContact O-N 3.2Å; L299-S302 WeakPolarHBondContact O-CA 3.42Å; L299-S302 WeakPolarHBondContact O-CB 3.42Å; L299-S302 PolarHBondContact O-N 3.4Å; L299-S302 PolarHBondContact O-OG 3.32Å; M300-S302 VanDerWaalsContact C-N 3.33Å; M300-S302 PolarHBondContact O-N 2.76Å; S302-E306 PolarHBondContact O-N 3.37Å |
| 303 | I | 86.6 | Confident | 84.3 | Confident | 27 Ų | 27 | 60.6 Ų | 60.6 | 14% | 0.138 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -72.6 | -39.8 | 174.3 | -58.7 | 167.1 | 0 | 0 | 0 | 110.3 | L274 L276 L299 M300 Y305 E306 F652 | L274-I303 HydrophobicContact CD2-CD1 4.33Å; L276-I303 HydrophobicContact CD1-CD1 4.18Å; L299-I303 HydrophobicContact CD1-CD1 4.41Å; L299-I303 HydrophobicContact CG-CD1 4.09Å; L299-I303 WeakPolarHBondContact O-CG1 3.44Å; L299-I303 PolarHBondContact O-N 2.65Å; M300-I303 PolarHBondContact O-N 2.99Å; I303-Y305 VanDerWaalsContact C-N 3.31Å; I303-Y305 PolarHBondContact O-N 2.94Å; I303-E306 WeakPolarHBondContact O-CB 3.24Å; I303-E306 PolarHBondContact O-N 3.27Å; I303-F652 HydrophobicContact CB-CE2 3.97Å; I303-F652 HydrophobicContact CB-CZ 3.74Å; I303-F652 HydrophobicContact CD1-CE2 4.28Å; I303-F652 HydrophobicContact CG2-CD2 4.16Å; I303-F652 HydrophobicContact CG2-CE1 3.99Å; I303-F652 HydrophobicContact CG2-CE2 3.54Å; I303-F652 HydrophobicContact CG2-CZ 3.45Å; I303-F652 VanDerWaalsContact CG2-CZ 3.45Å |
| 304 | W | 88.4 | Confident | 83.3 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 0% | 0.004 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -58.3 | -41.5 | 178.9 | -176.4 | -97.3 | 0 | 0 | 0 | 113 | M300 P352 F353 F356 M503 W648 F651 F652 | M300-W304 VanDerWaalsContact O-CB 3.31Å; M300-W304 WeakPolarHBondContact O-CB 3.2Å; M300-W304 PolarHBondContact O-N 3.33Å; W304-P352 HydrophobicContact CD2-CB 4.37Å; W304-P352 HydrophobicContact CE3-CB 3.77Å; W304-P352 HydrophobicContact CZ3-CB 3.92Å; W304-F353 HydrophobicContact CZ2-CB 4.43Å; W304-F353 HydrophobicContact CZ2-CD2 4.33Å; W304-F353 AromaticContact NE1-CD2 3.61Å; W304-F353 VanDerWaalsContact O-CB 3.32Å; W304-F353 WeakPolarHBondContact O-CB 3.41Å; W304-F353 PolarHBondContact O-N 3.27Å; W304-F356 HydrophobicContact CH2-CB 3.53Å; W304-F356 HydrophobicContact CH2-CD1 4.47Å; W304-F356 HydrophobicContact CH2-CD2 4.49Å; W304-F356 AromaticContact CH2-CG 3.91Å; W304-F356 HydrophobicContact CH2-CG 3.91Å; W304-F356 HydrophobicContact CZ2-CB 3.74Å; W304-F356 AromaticContact CZ2-CD1 3.98Å; W304-F356 HydrophobicContact CZ2-CD1 3.98Å; W304-F356 AromaticContact CZ2-CG 3.88Å; W304-F356 HydrophobicContact CZ2-CG 3.88Å; W304-M503 HydrophobicContact CH2-CE 3.85Å; W304-M503 HydrophobicContact CZ2-CE 3.28Å; W304-W648 HydrophobicContact CB-CE3 4.38Å; W304-W648 HydrophobicContact CB-CZ3 4.43Å; W304-W648 HydrophobicContact CD2-CD2 4.07Å; W304-W648 AromaticContact CD2-CE2 4Å; W304-W648 HydrophobicContact CD2-CG 4.1Å; W304-W648 AromaticContact CD2-NE1 3.98Å; W304-W648 HydrophobicContact CE3-CB 3.77Å; W304-W648 AromaticContact CE3-CD1 3.54Å; W304-W648 AromaticContact CE3-CD2 3.81Å; W304-W648 HydrophobicContact CE3-CD2 3.81Å; W304-W648 AromaticContact CE3-CG 3.42Å; W304-W648 HydrophobicContact CE3-CG 3.42Å; W304-W648 VanDerWaalsContact CE3-CG 3.42Å; W304-W648 AromaticContact CE3-NE1 3.96Å; W304-W648 HydrophobicContact CG-CD2 4.36Å; W304-W648 HydrophobicContact CG-CZ2 4.39Å; W304-W648 AromaticContact CH2-CD1 3.84Å; W304-W648 HydrophobicContact CH2-CG 4.47Å; W304-W648 HydrophobicContact CZ3-CB 3.85Å; W304-W648 AromaticContact CZ3-CD1 3.45Å; W304-W648 VanDerWaalsContact CZ3-CD1 3.45Å; W304-W648 HydrophobicContact CZ3-CD2 4.47Å; W304-W648 AromaticContact CZ3-CG 3.66Å; W304-W648 HydrophobicContact CZ3-CG 3.66Å; W304-F651 HydrophobicContact CH2-CB 4.39Å; W304-F651 AromaticContact CH2-CD2 3.99Å; W304-F651 HydrophobicContact CH2-CD2 3.99Å; W304-F651 HydrophobicContact CH2-CG 4.39Å; W304-F651 HydrophobicContact CZ3-CB 4.05Å; W304-F651 HydrophobicContact CZ3-CD2 4.17Å; W304-F651 HydrophobicContact CZ3-CG 4.46Å; W304-F652 AromaticContact CE3-CE1 3.82Å; W304-F652 HydrophobicContact CE3-CE1 3.82Å; W304-F652 HydrophobicContact CZ3-CE1 4.47Å |
| 305 | Y | 86.6 | Confident | 82.8 | Confident | 74 Ų | 74 | 58.8 Ų | 58.8 | 29% | 0.29 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 20 | 178.6 | -65.3 | -60.6 | 0 | 0 | 0 | 114.2 | T301 I303 G307 F308 F353 | T301-Y305 HydrophobicContact CG2-CD2 3.88Å; T301-Y305 HydrophobicContact CG2-CE2 4.02Å; T301-Y305 WeakPolarHBondContact O-CD2 3.22Å; T301-Y305 PolarHBondContact O-N 3.03Å; I303-Y305 VanDerWaalsContact C-N 3.31Å; I303-Y305 PolarHBondContact O-N 2.94Å; Y305-G307 PolarHBondContact O-N 3.46Å; Y305-F308 PolarHBondContact O-N 3.05Å; Y305-F353 HydrophobicContact CD1-CB 4.42Å; Y305-F353 HydrophobicContact CD1-CG 4.3Å; Y305-F353 HydrophobicContact CE1-CD2 4.03Å; Y305-F353 HydrophobicContact CE1-CE2 4.39Å; Y305-F353 HydrophobicContact CE1-CG 4.22Å |
| 306 | E | 80.8 | Confident | 82.2 | Confident | 100 Ų | 100 | 64.8 Ų | 64.8 | 47% | 0.467 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 130.8 | 174.3 | -169 | 179 | 169.8 | 0 | 0 | 110.4 | S302 I303 A351 | S302-E306 PolarHBondContact O-N 3.37Å; I303-E306 WeakPolarHBondContact O-CB 3.24Å; I303-E306 PolarHBondContact O-N 3.27Å; E306-A351 WeakPolarHBondContact O-CB 3.44Å |
| 307 | G | 75.8 | Confident | 82 | Confident | 53 Ų | 53 | 69.6 Ų | 69.6 | 55% | 0.546 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | -13.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y305 P309 | Y305-G307 PolarHBondContact O-N 3.46Å; G307-P309 VanDerWaalsContact C-CD 3.48Å; G307-P309 WeakPolarHBondContact O-CD 3.41Å |
| 308 | F | 77.7 | Confident | 81.6 | Confident | 37 Ų | 37 | 74.7 Ų | 74.7 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | trans | -125.5 | 59.6 | 179.5 | -69.9 | -84.5 | 0 | 0 | 0 | 113.5 | Y305 G310 R311 L326 L348 M354 | Y305-F308 PolarHBondContact O-N 3.05Å; F308-G310 VanDerWaalsContact C-N 3.33Å; F308-G310 PolarHBondContact O-N 2.71Å; F308-R311 HydrophobicContact CB-CB 4.08Å; F308-R311 VanDerWaalsContact O-CB 3.3Å; F308-R311 WeakPolarHBondContact O-CB 3.34Å; F308-R311 PolarHBondContact O-N 3.17Å; F308-L326 HydrophobicContact CE1-CD1 4.17Å; F308-L326 HydrophobicContact CZ-CD1 4.06Å; F308-L326 HydrophobicContact CZ-CD2 4.48Å; F308-L348 HydrophobicContact CD2-CD1 4.07Å; F308-L348 HydrophobicContact CE1-CD1 4.35Å; F308-L348 HydrophobicContact CE2-CD1 3.48Å; F308-L348 VanDerWaalsContact CE2-CD1 3.48Å; F308-L348 HydrophobicContact CE2-CD2 4.44Å; F308-L348 HydrophobicContact CE2-CG 3.94Å; F308-L348 HydrophobicContact CZ-CD1 3.66Å; F308-L348 HydrophobicContact CZ-CD2 3.87Å; F308-L348 HydrophobicContact CZ-CG 3.88Å; F308-M354 HydrophobicContact CE2-CG 3.69Å; F308-M354 HydrophobicContact CE2-SD 3.65Å; F308-M354 HydrophobicContact CZ-CG 4.27Å; F308-M354 HydrophobicContact CZ-SD 3.71Å | ||
| 309 | P | 66.8 | Low | 81.3 | Confident | 114 Ų | 114 | 70.3 Ų | 70.3 | 74% | 0.74 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -58 | -38.9 | -171.4 | 22.8 | -34 | 0 | 0 | 0 | 114.1 | G307 R311 | G307-P309 VanDerWaalsContact C-CD 3.48Å; G307-P309 WeakPolarHBondContact O-CD 3.41Å; P309-R311 VanDerWaalsContact C-N 3.28Å; P309-R311 PolarHBondContact O-N 3.4Å |
| 310 | G | 69.2 | Low | 81.1 | Confident | 40 Ų | 40 | 72.3 Ų | 72.3 | 41% | 0.412 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -69.7 | -17.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | F308 R312 Q313 S314 | F308-G310 VanDerWaalsContact C-N 3.33Å; F308-G310 PolarHBondContact O-N 2.71Å; G310-R312 PolarHBondContact O-N 3.11Å; G310-Q313 PolarHBondContact O-N 3.16Å; G310-S314 PolarHBondContact O-N 2.81Å; G310-S314 VanDerWaalsContact O-N 3.12Å |
| 311 | R | 72.5 | Confident | 81 | Confident | 36 Ų | 36 | 76 Ų | 76 | 14% | 0.136 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -61.3 | -32.5 | -174 | -163 | -174.6 | 164.3 | 73.9 | 4.7 | 112.7 | F308 P309 Q313 S314 N319 C323 | F308-R311 HydrophobicContact CB-CB 4.08Å; F308-R311 VanDerWaalsContact O-CB 3.3Å; F308-R311 WeakPolarHBondContact O-CB 3.34Å; F308-R311 PolarHBondContact O-N 3.17Å; P309-R311 VanDerWaalsContact C-N 3.28Å; P309-R311 PolarHBondContact O-N 3.4Å; R311-Q313 VanDerWaalsContact C-N 3.3Å; R311-Q313 PolarHBondContact O-N 2.78Å; R311-S314 PolarHBondContact O-OG 3.07Å; R311-N319 WeakPolarHBondContact CG-OD1 3.21Å; R311-N319 PolarHBondContact NH1-O 3.46Å; R311-N319 PolarHBondContact NH1-OD1 3.47Å; R311-N319 PolarHBondContact O-ND2 3.36Å; R311-N319 PolarHBondContact O-OD1 3.22Å; R311-C323 PolarHBondContact NH2-SG 2.73Å |
| 312 | R | 72 | Confident | 80.8 | Confident | 177 Ų | 177 | 77.4 Ų | 77.4 | 67% | 0.668 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -71.5 | -21.2 | 176.9 | -177.2 | 172.7 | 175.6 | 177.9 | -1.2 | 113.5 | G310 | G310-R312 PolarHBondContact O-N 3.11Š|
| 313 | Q | 72.9 | Confident | 80.8 | Confident | 177 Ų | 177 | 75.2 Ų | 75.2 | 83% | 0.827 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -22.9 | -174.9 | -68.2 | 176.8 | -23.3 | 0 | 0 | 113.3 | G310 R311 | G310-Q313 PolarHBondContact O-N 3.16Å; R311-Q313 VanDerWaalsContact C-N 3.3Å; R311-Q313 PolarHBondContact O-N 2.78Å |
| 314 | S | 74.7 | Confident | 81 | Confident | 36 Ų | 36 | 78.1 Ų | 78.1 | 25% | 0.252 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -73.1 | 141.3 | 179.6 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | G310 R311 N319 | G310-S314 PolarHBondContact O-N 2.81Å; G310-S314 VanDerWaalsContact O-N 3.12Å; R311-S314 PolarHBondContact O-OG 3.07Å; S314-N319 PolarHBondContact O-ND2 3.25Å; S314-N319 VanDerWaalsContact OG-CG 3.31Å; S314-N319 PolarHBondContact OG-ND2 3.43Å; S314-N319 PolarHBondContact OG-OD1 3.38Å |
| 315 | G | 83 | Confident | 81.1 | Confident | 48 Ų | 48 | 83.4 Ų | 83.4 | 50% | 0.495 | 44% | 0.444 | S | S | . | . | trans | -60.2 | 159.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L317 M318 N319 | G315-L317 VanDerWaalsContact C-N 3.3Å; G315-L317 PolarHBondContact O-N 3Å; G315-M318 PolarHBondContact O-N 2.81Å; G315-N319 PolarHBondContact O-N 3.18Å; G315-N319 VanDerWaalsContact O-N 3.08Å | ||
| 316 | W | 82.9 | Confident | 81.2 | Confident | 192 Ų | 192 | 80.9 Ų | 80.9 | 73% | 0.727 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -54.9 | -41.1 | -171.3 | 75.6 | -85.8 | 0 | 0 | 0 | 113.6 | M318 N319 T320 | W316-M318 PolarHBondContact O-N 2.96Å; W316-N319 CarbonylContact O-C 3.6Å; W316-N319 WeakPolarHBondContact O-CA 3.41Å; W316-N319 WeakPolarHBondContact O-CB 3.33Å; W316-N319 PolarHBondContact O-N 3.44Å; W316-N319 VanDerWaalsContact O-N 3.15Å; W316-T320 HydrophobicContact CE3-CG2 4.23Å; W316-T320 PolarHBondContact O-N 2.75Å; W316-T320 PolarHBondContact O-OG1 3.12Å |
| 317 | L | 87.7 | Confident | 81.6 | Confident | 102 Ų | 102 | 78.7 Ų | 78.7 | 53% | 0.534 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 176.1 | -68.9 | 173.3 | 0 | 0 | 0 | 113.4 | G315 N319 T320 V321 | G315-L317 VanDerWaalsContact C-N 3.3Å; G315-L317 PolarHBondContact O-N 3Å; L317-N319 VanDerWaalsContact C-N 3.27Å; L317-N319 PolarHBondContact O-N 2.84Å; L317-T320 PolarHBondContact O-N 3.26Å; L317-T320 PolarHBondContact O-OG1 3.25Å; L317-V321 WeakPolarHBondContact O-CG2 3.2Å; L317-V321 PolarHBondContact O-N 2.78Å |
| 318 | M | 86.4 | Confident | 82.3 | Confident | 118 Ų | 118 | 83.9 Ų | 83.9 | 58% | 0.581 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.8 | -35.8 | 176.8 | -67.9 | -61.8 | -73.1 | 0 | 0 | 110.5 | G315 W316 I322 | G315-M318 PolarHBondContact O-N 2.81Å; W316-M318 PolarHBondContact O-N 2.96Å; M318-I322 WeakPolarHBondContact O-CB 3.33Å; M318-I322 WeakPolarHBondContact O-CD1 3.18Å; M318-I322 WeakPolarHBondContact O-CG1 3.24Å; M318-I322 PolarHBondContact O-N 3Å |
| 319 | N | 84.9 | Confident | 82.8 | Confident | 28 Ų | 28 | 83.7 Ų | 83.7 | 15% | 0.15 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -67.4 | -35.5 | 175.9 | -96.4 | -43.8 | 0 | 0 | 0 | 113.9 | R311 S314 G315 W316 L317 C323 | R311-N319 WeakPolarHBondContact CG-OD1 3.21Å; R311-N319 PolarHBondContact NH1-O 3.46Å; R311-N319 PolarHBondContact NH1-OD1 3.47Å; R311-N319 PolarHBondContact O-ND2 3.36Å; R311-N319 PolarHBondContact O-OD1 3.22Å; S314-N319 PolarHBondContact O-ND2 3.25Å; S314-N319 VanDerWaalsContact OG-CG 3.31Å; S314-N319 PolarHBondContact OG-ND2 3.43Å; S314-N319 PolarHBondContact OG-OD1 3.38Å; G315-N319 PolarHBondContact O-N 3.18Å; G315-N319 VanDerWaalsContact O-N 3.08Å; W316-N319 CarbonylContact O-C 3.6Å; W316-N319 WeakPolarHBondContact O-CA 3.41Å; W316-N319 WeakPolarHBondContact O-CB 3.33Å; W316-N319 PolarHBondContact O-N 3.44Å; W316-N319 VanDerWaalsContact O-N 3.15Å; L317-N319 VanDerWaalsContact C-N 3.27Å; L317-N319 PolarHBondContact O-N 2.84Å; N319-C323 WeakPolarHBondContact O-CB 3.41Å; N319-C323 PolarHBondContact O-N 3.24Å; N319-C323 VanDerWaalsContact O-N 3.07Å |
| 320 | T | 85.9 | Confident | 83.9 | Confident | 61 Ų | 61 | 79.4 Ų | 79.4 | 37% | 0.374 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -73.4 | -44.1 | 173.7 | 53.8 | 0 | 0 | 0 | 0 | 111.4 | W316 L317 I322 C323 L324 | W316-T320 HydrophobicContact CE3-CG2 4.23Å; W316-T320 PolarHBondContact O-N 2.75Å; W316-T320 PolarHBondContact O-OG1 3.12Å; L317-T320 PolarHBondContact O-N 3.26Å; L317-T320 PolarHBondContact O-OG1 3.25Å; T320-I322 PolarHBondContact O-N 3.16Å; T320-C323 CarbonylContact O-C 3.47Å; T320-C323 WeakPolarHBondContact O-CB 3.47Å; T320-C323 PolarHBondContact O-N 3.12Å; T320-C323 VanDerWaalsContact O-N 3.13Å; T320-L324 WeakPolarHBondContact O-CG 3.38Å; T320-L324 PolarHBondContact O-N 3.3Å |
| 321 | V | 89.4 | Confident | 84.8 | Confident | 77 Ų | 77 | 79.4 Ų | 79.4 | 47% | 0.467 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -59.4 | -46.6 | 175.2 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | L317 C323 L324 L325 | L317-V321 WeakPolarHBondContact O-CG2 3.2Å; L317-V321 PolarHBondContact O-N 2.78Å; V321-C323 VanDerWaalsContact C-N 3.32Å; V321-C323 PolarHBondContact O-N 2.72Å; V321-L324 PolarHBondContact O-N 3.13Å; V321-L325 HydrophobicContact CG1-CD1 4.09Å; V321-L325 WeakPolarHBondContact O-CG 3.11Å; V321-L325 PolarHBondContact O-N 3.11Å |
| 322 | I | 86.4 | Confident | 85.6 | Confident | 59 Ų | 59 | 83.2 Ų | 83.2 | 30% | 0.303 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 174.9 | -69.6 | 165.7 | 0 | 0 | 0 | 111 | M318 T320 L325 L326 | M318-I322 WeakPolarHBondContact O-CB 3.33Å; M318-I322 WeakPolarHBondContact O-CD1 3.18Å; M318-I322 WeakPolarHBondContact O-CG1 3.24Å; M318-I322 PolarHBondContact O-N 3Å; T320-I322 PolarHBondContact O-N 3.16Å; I322-L325 PolarHBondContact O-N 3.1Å; I322-L326 HydrophobicContact CG2-CD1 3.91Å; I322-L326 HydrophobicContact CG2-CG 4.46Å; I322-L326 WeakPolarHBondContact O-CB 3.11Å; I322-L326 VanDerWaalsContact O-CG 3.26Å; I322-L326 WeakPolarHBondContact O-CG 3.23Å; I322-L326 PolarHBondContact O-N 2.68Å |
| 323 | C | 86.7 | Confident | 86.3 | Confident | 22 Ų | 22 | 76.4 Ų | 76.4 | 15% | 0.149 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 174.1 | -97.2 | 0 | 0 | 0 | 0 | 112.4 | R311 N319 T320 V321 L325 L326 I327 | R311-C323 PolarHBondContact NH2-SG 2.73Å; N319-C323 WeakPolarHBondContact O-CB 3.41Å; N319-C323 PolarHBondContact O-N 3.24Å; N319-C323 VanDerWaalsContact O-N 3.07Å; T320-C323 CarbonylContact O-C 3.47Å; T320-C323 WeakPolarHBondContact O-CB 3.47Å; T320-C323 PolarHBondContact O-N 3.12Å; T320-C323 VanDerWaalsContact O-N 3.13Å; V321-C323 VanDerWaalsContact C-N 3.32Å; V321-C323 PolarHBondContact O-N 2.72Å; C323-L325 VanDerWaalsContact C-N 3.34Å; C323-L325 PolarHBondContact O-N 2.7Å; C323-L326 PolarHBondContact O-N 3.45Å; C323-I327 WeakPolarHBondContact O-CB 3.33Å; C323-I327 WeakPolarHBondContact O-CD1 2.93Å; C323-I327 WeakPolarHBondContact O-CG1 3.19Å; C323-I327 PolarHBondContact O-N 2.96Å |
| 324 | L | 89.8 | Confident | 86.9 | Confident | 88 Ų | 88 | 68 Ų | 68 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 179.4 | -70.3 | 169.9 | 0 | 0 | 0 | 111.4 | T320 V321 L326 I327 F328 | T320-L324 WeakPolarHBondContact O-CG 3.38Å; T320-L324 PolarHBondContact O-N 3.3Å; V321-L324 PolarHBondContact O-N 3.13Å; L324-L326 PolarHBondContact O-N 3.05Å; L324-I327 WeakPolarHBondContact O-CB 3.41Å; L324-I327 PolarHBondContact O-N 3Å; L324-F328 HydrophobicContact CB-CE2 4.36Å; L324-F328 WeakPolarHBondContact O-CD2 3.32Å; L324-F328 PolarHBondContact O-N 2.71Å |
| 325 | L | 90.4 | Very high | 87.4 | Confident | 112 Ų | 112 | 70.8 Ų | 70.8 | 59% | 0.586 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.2 | -39.9 | 175 | -68.6 | 170.8 | 0 | 0 | 0 | 112.5 | V321 I322 C323 S329 | V321-L325 HydrophobicContact CG1-CD1 4.09Å; V321-L325 WeakPolarHBondContact O-CG 3.11Å; V321-L325 PolarHBondContact O-N 3.11Å; I322-L325 PolarHBondContact O-N 3.1Å; C323-L325 VanDerWaalsContact C-N 3.34Å; C323-L325 PolarHBondContact O-N 2.7Å; L325-S329 WeakPolarHBondContact O-CB 3.45Å; L325-S329 PolarHBondContact O-N 3.4Å; L325-S329 PolarHBondContact O-OG 2.72Å |
| 326 | L | 89.2 | Confident | 87.6 | Confident | 22 Ų | 22 | 71.4 Ų | 71.4 | 12% | 0.115 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.7 | -31.4 | 174.8 | -68.1 | 171.5 | 0 | 0 | 0 | 112.8 | F308 I322 C323 L324 S329 W330 M354 L357 | F308-L326 HydrophobicContact CE1-CD1 4.17Å; F308-L326 HydrophobicContact CZ-CD1 4.06Å; F308-L326 HydrophobicContact CZ-CD2 4.48Å; I322-L326 HydrophobicContact CG2-CD1 3.91Å; I322-L326 HydrophobicContact CG2-CG 4.46Å; I322-L326 WeakPolarHBondContact O-CB 3.11Å; I322-L326 VanDerWaalsContact O-CG 3.26Å; I322-L326 WeakPolarHBondContact O-CG 3.23Å; I322-L326 PolarHBondContact O-N 2.68Å; C323-L326 PolarHBondContact O-N 3.45Å; L324-L326 PolarHBondContact O-N 3.05Å; L326-S329 WeakPolarHBondContact CA-OG 3.42Å; L326-W330 PolarHBondContact O-N 2.97Å; L326-M354 HydrophobicContact CD1-SD 4.05Å; L326-M354 HydrophobicContact CD2-CE 4.01Å; L326-M354 HydrophobicContact CD2-SD 4.43Å; L326-L357 HydrophobicContact CB-CD2 3.7Å; L326-L357 HydrophobicContact CD1-CD2 4.2Å |
| 327 | I | 90.4 | Very high | 87.7 | Confident | 54 Ų | 54 | 63.1 Ų | 63.1 | 28% | 0.277 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.8 | -53.7 | 172.6 | -73.9 | 162.5 | 0 | 0 | 0 | 109.8 | C323 L324 S329 W330 L357 T361 | C323-I327 WeakPolarHBondContact O-CB 3.33Å; C323-I327 WeakPolarHBondContact O-CD1 2.93Å; C323-I327 WeakPolarHBondContact O-CG1 3.19Å; C323-I327 PolarHBondContact O-N 2.96Å; L324-I327 WeakPolarHBondContact O-CB 3.41Å; L324-I327 PolarHBondContact O-N 3Å; I327-S329 VanDerWaalsContact C-N 3.29Å; I327-S329 PolarHBondContact O-N 2.9Å; I327-W330 WeakPolarHBondContact O-CB 3.3Å; I327-W330 PolarHBondContact O-N 3.2Å; I327-L357 HydrophobicContact CD1-CD1 4.3Å; I327-L357 HydrophobicContact CG1-CD1 4.01Å; I327-L357 HydrophobicContact CG1-CG 4.49Å; I327-T361 HydrophobicContact CG2-CG2 3.97Å |
| 328 | F | 89.6 | Confident | 87.5 | Confident | 161 Ų | 161 | 60 Ų | 60 | 71% | 0.706 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.5 | -30.2 | -179.6 | -70.4 | -61.3 | 0 | 0 | 0 | 113.3 | L324 W330 | L324-F328 HydrophobicContact CB-CE2 4.36Å; L324-F328 WeakPolarHBondContact O-CD2 3.32Å; L324-F328 PolarHBondContact O-N 2.71Å; F328-W330 VanDerWaalsContact C-N 3.34Å |
| 329 | S | 88.2 | Confident | 87.4 | Confident | 33 Ų | 33 | 57.8 Ų | 57.8 | 23% | 0.231 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 0.8 | 176.7 | 57.9 | 0 | 0 | 0 | 0 | 115 | L325 L326 I327 P331 L332 L333 | L325-S329 WeakPolarHBondContact O-CB 3.45Å; L325-S329 PolarHBondContact O-N 3.4Å; L325-S329 PolarHBondContact O-OG 2.72Å; L326-S329 WeakPolarHBondContact CA-OG 3.42Å; I327-S329 VanDerWaalsContact C-N 3.29Å; I327-S329 PolarHBondContact O-N 2.9Å; S329-P331 WeakPolarHBondContact O-CD 3.3Å; S329-L332 PolarHBondContact O-N 2.91Å; S329-L333 WeakPolarHBondContact O-CG 3.49Å; S329-L333 PolarHBondContact O-N 2.92Å; S329-L333 WeakPolarHBondContact OG-CD1 3.26Å |
| 330 | W | 89.5 | Confident | 87.4 | Confident | 24 Ų | 24 | 60.6 Ų | 60.6 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -54.6 | -37.1 | -175.8 | 91.4 | -76.8 | 0 | 0 | 0 | 116.6 | L326 I327 F328 S334 Y358 T361 W408 A660 F662 | L326-W330 PolarHBondContact O-N 2.97Å; I327-W330 WeakPolarHBondContact O-CB 3.3Å; I327-W330 PolarHBondContact O-N 3.2Å; F328-W330 VanDerWaalsContact C-N 3.34Å; W330-S334 VanDerWaalsContact O-CB 3.32Å; W330-S334 WeakPolarHBondContact O-CB 3.48Å; W330-S334 PolarHBondContact O-N 2.72Å; W330-S334 PolarHBondContact O-OG 3.03Å; W330-Y358 HydrophobicContact CB-CD1 3.98Å; W330-Y358 HydrophobicContact CB-CE1 3.94Å; W330-T361 HydrophobicContact CB-CG2 4.32Å; W330-T361 HydrophobicContact CD2-CG2 3.91Å; W330-T361 HydrophobicContact CG-CG2 3.73Å; W330-W408 HydrophobicContact CH2-CZ2 4.38Å; W330-W408 HydrophobicContact CZ2-CZ2 4.28Å; W330-A660 WeakPolarHBondContact CH2-O 3.38Å; W330-F662 HydrophobicContact CE3-CD2 4.47Å; W330-F662 HydrophobicContact CE3-CE2 4.2Å; W330-F662 HydrophobicContact CH2-CD2 4.2Å; W330-F662 AromaticContact CH2-CE2 3.86Å; W330-F662 HydrophobicContact CH2-CE2 3.86Å; W330-F662 HydrophobicContact CZ2-CE2 4.27Å; W330-F662 AromaticContact CZ3-CD2 3.9Å; W330-F662 HydrophobicContact CZ3-CD2 3.9Å; W330-F662 AromaticContact CZ3-CE2 3.82Å; W330-F662 HydrophobicContact CZ3-CE2 3.82Å |
| 331 | P | 87.8 | Confident | 87.1 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -79.4 | -38.7 | -175.7 | 31.9 | -28.8 | 0 | 0 | 0 | 110.6 | S329 S334 I335 F662 | S329-P331 WeakPolarHBondContact O-CD 3.3Å; P331-S334 PolarHBondContact O-N 3.08Å; P331-I335 VanDerWaalsContact O-CG1 3.3Å; P331-I335 WeakPolarHBondContact O-CG1 3.4Å; P331-I335 PolarHBondContact O-N 3.07Å; P331-F662 HydrophobicContact CB-CE2 4.13Å; P331-F662 HydrophobicContact CB-CZ 3.75Å |
| 332 | L | 89.4 | Confident | 86.6 | Confident | 116 Ų | 116 | 65.1 Ų | 65.1 | 61% | 0.607 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61 | -48.4 | 175.3 | -62.2 | 175.6 | 0 | 0 | 0 | 110.6 | S329 S334 I335 C336 | S329-L332 PolarHBondContact O-N 2.91Å; L332-S334 VanDerWaalsContact C-N 3.31Å; L332-S334 PolarHBondContact O-N 3.11Å; L332-I335 PolarHBondContact O-N 3.12Å; L332-C336 WeakPolarHBondContact O-CB 3.41Å; L332-C336 PolarHBondContact O-N 2.87Å; L332-C336 PolarHBondContact O-SG 3.32Å |
| 333 | L | 87.7 | Confident | 86.6 | Confident | 34 Ų | 34 | 63.9 Ų | 63.9 | 18% | 0.178 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66 | -33.3 | 179 | -64.9 | 173.5 | 0 | 0 | 0 | 112.4 | S329 Y337 V345 V349 Y358 | S329-L333 WeakPolarHBondContact O-CG 3.49Å; S329-L333 PolarHBondContact O-N 2.92Å; S329-L333 WeakPolarHBondContact OG-CD1 3.26Å; L333-Y337 PolarHBondContact O-N 3.07Å; L333-V345 HydrophobicContact CD2-CG1 3.65Å; L333-V349 HydrophobicContact CB-CG2 4.48Å; L333-Y358 WeakPolarHBondContact CB-OH 3.39Å; L333-Y358 VanDerWaalsContact CD1-OH 3.23Å; L333-Y358 WeakPolarHBondContact CD1-OH 3.26Å |
| 334 | S | 85.6 | Confident | 86.5 | Confident | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.007 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66 | -44.2 | 173.1 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | W330 P331 L332 Y337 I338 | W330-S334 VanDerWaalsContact O-CB 3.32Å; W330-S334 WeakPolarHBondContact O-CB 3.48Å; W330-S334 PolarHBondContact O-N 2.72Å; W330-S334 PolarHBondContact O-OG 3.03Å; P331-S334 PolarHBondContact O-N 3.08Å; L332-S334 VanDerWaalsContact C-N 3.31Å; L332-S334 PolarHBondContact O-N 3.11Å; S334-Y337 WeakPolarHBondContact O-CB 3.47Å; S334-Y337 PolarHBondContact O-N 3.32Å; S334-I338 WeakPolarHBondContact O-CG1 3.33Å; S334-I338 PolarHBondContact O-N 3.22Å; S334-I338 VanDerWaalsContact O-N 3.14Å |
| 335 | I | 85.3 | Confident | 86.2 | Confident | 93 Ų | 93 | 72.5 Ų | 72.5 | 48% | 0.477 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 174.7 | -67.2 | 163.4 | 0 | 0 | 0 | 110.6 | P331 L332 Y337 I338 A339 F662 | P331-I335 VanDerWaalsContact O-CG1 3.3Å; P331-I335 WeakPolarHBondContact O-CG1 3.4Å; P331-I335 PolarHBondContact O-N 3.07Å; L332-I335 PolarHBondContact O-N 3.12Å; I335-Y337 VanDerWaalsContact C-N 3.3Å; I335-Y337 PolarHBondContact O-N 3.4Å; I335-I338 PolarHBondContact O-N 2.84Å; I335-A339 PolarHBondContact O-N 3.37Å; I335-F662 HydrophobicContact CG1-CE1 4.49Å |
| 336 | C | 85.8 | Confident | 85.8 | Confident | 61 Ų | 61 | 67.1 Ų | 67.1 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.3 | -36.1 | 174.8 | -69 | 0 | 0 | 0 | 0 | 113 | L332 V340 V345 | L332-C336 WeakPolarHBondContact O-CB 3.41Å; L332-C336 PolarHBondContact O-N 2.87Å; L332-C336 PolarHBondContact O-SG 3.32Å; C336-V340 PolarHBondContact O-N 3.37Å; C336-V345 HydrophobicContact CB-CG1 4.46Å |
| 337 | Y | 85.2 | Confident | 85.5 | Confident | 19 Ų | 19 | 70.4 Ų | 70.4 | 8% | 0.075 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.2 | -40 | 174.8 | 179.9 | -96.4 | 0 | 0 | 0 | 112.5 | L333 S334 I335 P341 G346 V349 R350 T657 L658 | L333-Y337 PolarHBondContact O-N 3.07Å; S334-Y337 WeakPolarHBondContact O-CB 3.47Å; S334-Y337 PolarHBondContact O-N 3.32Å; I335-Y337 VanDerWaalsContact C-N 3.3Å; I335-Y337 PolarHBondContact O-N 3.4Å; Y337-P341 HydrophobicContact CE2-CB 4.47Å; Y337-P341 WeakPolarHBondContact O-CA 3.47Å; Y337-P341 WeakPolarHBondContact O-CB 3.37Å; Y337-P341 WeakPolarHBondContact O-CD 2.94Å; Y337-G346 WeakPolarHBondContact CD2-O 3.35Å; Y337-G346 VanDerWaalsContact CE2-O 3.31Å; Y337-G346 WeakPolarHBondContact CE2-O 3.29Å; Y337-V349 HydrophobicContact CD2-CB 3.87Å; Y337-V349 HydrophobicContact CD2-CG1 3.74Å; Y337-V349 HydrophobicContact CE2-CG1 4.39Å; Y337-V349 HydrophobicContact CG-CB 4.36Å; Y337-V349 HydrophobicContact CG-CG1 3.86Å; Y337-R350 HydrophobicContact CE2-CG 3.96Å; Y337-R350 PolarHBondContact OH-NE 3.44Å; Y337-T657 WeakPolarHBondContact CE1-OG1 3.4Å; Y337-T657 VanDerWaalsContact CZ-OG1 3.32Å; Y337-T657 PolarHBondContact OH-OG1 3.3Å; Y337-T657 VanDerWaalsContact OH-OG1 3.1Å; Y337-L658 HydrophobicContact CD1-CD1 4.32Å; Y337-L658 HydrophobicContact CD1-CD2 4.06Å; Y337-L658 HydrophobicContact CD1-CG 4.14Å; Y337-L658 HydrophobicContact CE1-CG 4.42Å |
| 338 | I | 83.9 | Confident | 85.2 | Confident | 35 Ų | 35 | 70.4 Ų | 70.4 | 18% | 0.179 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 176.8 | -66.1 | 165.9 | 0 | 0 | 0 | 110.6 | S334 I335 L658 L665 | S334-I338 WeakPolarHBondContact O-CG1 3.33Å; S334-I338 PolarHBondContact O-N 3.22Å; S334-I338 VanDerWaalsContact O-N 3.14Å; I335-I338 PolarHBondContact O-N 2.84Å; I338-L658 HydrophobicContact CD1-CD1 4.05Å; I338-L658 HydrophobicContact CG1-CD1 3.72Å; I338-L658 HydrophobicContact CG1-CD2 4.4Å; I338-L665 HydrophobicContact CD1-CB 4.3Å; I338-L665 HydrophobicContact CD1-CD1 3.86Å |
| 339 | A | 84.6 | Confident | 85 | Confident | 73 Ų | 73 | 62.9 Ų | 62.9 | 60% | 0.603 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -74.4 | -50.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I335 P341 | I335-A339 PolarHBondContact O-N 3.37Å; A339-P341 WeakPolarHBondContact O-CD 3.32Å |
| 340 | V | 84.8 | Confident | 84.8 | Confident | 86 Ų | 86 | 64.6 Ų | 64.6 | 52% | 0.521 | 33% | 0.334 | S | S | . | . | trans | -130.4 | 69 | -173.1 | -163.8 | 0 | 0 | 0 | 0 | 111.5 | C336 K342 S343 | C336-V340 PolarHBondContact O-N 3.37Å; V340-K342 PolarHBondContact O-N 3.37Å; V340-K342 VanDerWaalsContact O-N 3.07Å; V340-S343 WeakPolarHBondContact O-CB 3.34Å; V340-S343 PolarHBondContact O-N 2.93Å; V340-S343 VanDerWaalsContact O-N 3.07Å; V340-S343 PolarHBondContact O-OG 3.34Å | ||
| 341 | P | 79.4 | Confident | 84.6 | Confident | 41 Ų | 41 | 63.9 Ų | 63.9 | 27% | 0.266 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -13.1 | -174.8 | 24.5 | -34.5 | 0 | 0 | 0 | 114.7 | Y337 A339 R350 | Y337-P341 HydrophobicContact CE2-CB 4.47Å; Y337-P341 WeakPolarHBondContact O-CA 3.47Å; Y337-P341 WeakPolarHBondContact O-CB 3.37Å; Y337-P341 WeakPolarHBondContact O-CD 2.94Å; A339-P341 WeakPolarHBondContact O-CD 3.32Å; P341-R350 PolarHBondContact O-NH1 2.96Å; P341-R350 PolarHBondContact O-NH2 3.36Å |
| 342 | K | 79.1 | Confident | 84.6 | Confident | 192 Ų | 192 | 62.4 Ų | 62.4 | 84% | 0.835 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -1.3 | 175.5 | -71.5 | -172.2 | 175.6 | -176.4 | 0 | 114.1 | V340 | V340-K342 PolarHBondContact O-N 3.37Å; V340-K342 VanDerWaalsContact O-N 3.07Å |
| 343 | S | 85.7 | Confident | 84.6 | Confident | 34 Ų | 34 | 57.5 Ų | 57.5 | 24% | 0.238 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -70.6 | 166.2 | 178.8 | 63.3 | 0 | 0 | 0 | 0 | 112.4 | V340 V345 G346 N347 | V340-S343 WeakPolarHBondContact O-CB 3.34Å; V340-S343 PolarHBondContact O-N 2.93Å; V340-S343 VanDerWaalsContact O-N 3.07Å; V340-S343 PolarHBondContact O-OG 3.34Å; S343-V345 VanDerWaalsContact C-N 3.27Å; S343-V345 PolarHBondContact O-N 2.99Å; S343-G346 CarbonylContact O-C 3.6Å; S343-G346 WeakPolarHBondContact O-CA 3.31Å; S343-G346 PolarHBondContact O-N 2.89Å; S343-G346 PolarHBondContact OG-N 3.34Å; S343-N347 PolarHBondContact O-N 2.88Å |
| 344 | R | 84.9 | Confident | 84.6 | Confident | 234 Ų | 234 | 56 Ų | 56 | 88% | 0.883 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -56.5 | -42.3 | 171.3 | -70.1 | -176.2 | 178.2 | 177.3 | -0.7 | 111.6 | G346 N347 L348 | R344-G346 VanDerWaalsContact C-N 3.35Å; R344-N347 PolarHBondContact O-N 3.48Å; R344-L348 PolarHBondContact O-N 2.98Å |
| 345 | V | 84 | Confident | 84.8 | Confident | 56 Ų | 56 | 56.6 Ų | 56.6 | 34% | 0.339 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 172.6 | -178.9 | 0 | 0 | 0 | 0 | 111 | L333 C336 S343 N347 L348 V349 | L333-V345 HydrophobicContact CD2-CG1 3.65Å; C336-V345 HydrophobicContact CB-CG1 4.46Å; S343-V345 VanDerWaalsContact C-N 3.27Å; S343-V345 PolarHBondContact O-N 2.99Å; V345-N347 VanDerWaalsContact C-N 3.26Å; V345-N347 PolarHBondContact O-N 3.24Å; V345-L348 WeakPolarHBondContact O-CB 3.42Å; V345-L348 PolarHBondContact O-N 3.29Å; V345-L348 VanDerWaalsContact O-N 3.11Å; V345-V349 WeakPolarHBondContact O-CG2 3.5Å; V345-V349 PolarHBondContact O-N 2.68Å |
| 346 | G | 82.3 | Confident | 85 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.5 | -31.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y337 S343 R344 | Y337-G346 WeakPolarHBondContact CD2-O 3.35Å; Y337-G346 VanDerWaalsContact CE2-O 3.31Å; Y337-G346 WeakPolarHBondContact CE2-O 3.29Å; S343-G346 CarbonylContact O-C 3.6Å; S343-G346 WeakPolarHBondContact O-CA 3.31Å; S343-G346 PolarHBondContact O-N 2.89Å; S343-G346 PolarHBondContact OG-N 3.34Å; R344-G346 VanDerWaalsContact C-N 3.35Å |
| 347 | N | 82 | Confident | 85.2 | Confident | 91 Ų | 91 | 51 Ų | 51 | 49% | 0.487 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -78.5 | -38.1 | 171.5 | -68.6 | -9.5 | 0 | 0 | 0 | 111.9 | S343 R344 V345 V349 R350 | S343-N347 PolarHBondContact O-N 2.88Å; R344-N347 PolarHBondContact O-N 3.48Å; V345-N347 VanDerWaalsContact C-N 3.26Å; V345-N347 PolarHBondContact O-N 3.24Å; N347-V349 VanDerWaalsContact C-N 3.33Å; N347-V349 PolarHBondContact O-N 3.31Å; N347-R350 WeakPolarHBondContact O-CB 3.43Å; N347-R350 PolarHBondContact O-N 2.96Å; N347-R350 PolarHBondContact OD1-NH1 3.31Å |
| 348 | L | 85.2 | Confident | 85.4 | Confident | 54 Ų | 54 | 50.2 Ų | 50.2 | 28% | 0.283 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 176.3 | -165.7 | 68.6 | 0 | 0 | 0 | 112 | F308 R344 V345 R350 A351 M354 | F308-L348 HydrophobicContact CD2-CD1 4.07Å; F308-L348 HydrophobicContact CE1-CD1 4.35Å; F308-L348 HydrophobicContact CE2-CD1 3.48Å; F308-L348 VanDerWaalsContact CE2-CD1 3.48Å; F308-L348 HydrophobicContact CE2-CD2 4.44Å; F308-L348 HydrophobicContact CE2-CG 3.94Å; F308-L348 HydrophobicContact CZ-CD1 3.66Å; F308-L348 HydrophobicContact CZ-CD2 3.87Å; F308-L348 HydrophobicContact CZ-CG 3.88Å; R344-L348 PolarHBondContact O-N 2.98Å; V345-L348 WeakPolarHBondContact O-CB 3.42Å; V345-L348 PolarHBondContact O-N 3.29Å; V345-L348 VanDerWaalsContact O-N 3.11Å; L348-R350 PolarHBondContact O-N 3.14Å; L348-A351 VanDerWaalsContact O-CB 3.23Å; L348-A351 WeakPolarHBondContact O-CB 3.18Å; L348-A351 PolarHBondContact O-N 3.17Å; L348-M354 VanDerWaalsContact O-CG 3.32Å; L348-M354 WeakPolarHBondContact O-CG 3.43Å |
| 349 | V | 84.5 | Confident | 85.8 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -17.7 | 175.4 | 172.4 | 0 | 0 | 0 | 0 | 112.9 | L333 Y337 V345 N347 Y358 | L333-V349 HydrophobicContact CB-CG2 4.48Å; Y337-V349 HydrophobicContact CD2-CB 3.87Å; Y337-V349 HydrophobicContact CD2-CG1 3.74Å; Y337-V349 HydrophobicContact CE2-CG1 4.39Å; Y337-V349 HydrophobicContact CG-CB 4.36Å; Y337-V349 HydrophobicContact CG-CG1 3.86Å; V345-V349 WeakPolarHBondContact O-CG2 3.5Å; V345-V349 PolarHBondContact O-N 2.68Å; N347-V349 VanDerWaalsContact C-N 3.33Å; N347-V349 PolarHBondContact O-N 3.31Å; V349-Y358 HydrophobicContact CG1-CD2 4.46Å; V349-Y358 HydrophobicContact CG1-CE2 3.87Å; V349-Y358 HydrophobicContact CG2-CE2 4.03Å |
| 350 | R | 83.6 | Confident | 86.1 | Confident | 69 Ų | 69 | 48.9 Ų | 48.9 | 26% | 0.26 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -12.3 | 171.2 | -65.3 | -169.5 | -170.9 | 99 | 21.7 | 114.2 | Y337 P341 N347 L348 K355 T657 | Y337-R350 HydrophobicContact CE2-CG 3.96Å; Y337-R350 PolarHBondContact OH-NE 3.44Å; P341-R350 PolarHBondContact O-NH1 2.96Å; P341-R350 PolarHBondContact O-NH2 3.36Å; N347-R350 WeakPolarHBondContact O-CB 3.43Å; N347-R350 PolarHBondContact O-N 2.96Å; N347-R350 PolarHBondContact OD1-NH1 3.31Å; L348-R350 PolarHBondContact O-N 3.14Å; R350-K355 WeakPolarHBondContact O-CE 3.44Å; R350-T657 HydrophobicContact CG-CG2 4.44Å |
| 351 | A | 85.2 | Confident | 86.4 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -59.5 | 136.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | E306 L348 F353 M354 K355 | E306-A351 WeakPolarHBondContact O-CB 3.44Å; L348-A351 VanDerWaalsContact O-CB 3.23Å; L348-A351 WeakPolarHBondContact O-CB 3.18Å; L348-A351 PolarHBondContact O-N 3.17Å; A351-F353 VanDerWaalsContact C-N 3.3Å; A351-F353 PolarHBondContact O-N 2.91Å; A351-M354 HydrophobicContact CB-CB 4.47Å; A351-M354 HydrophobicContact CB-CG 4.22Å; A351-M354 WeakPolarHBondContact O-CB 3.36Å; A351-M354 PolarHBondContact O-N 3.44Å; A351-K355 PolarHBondContact O-N 2.81Å |
| 352 | P | 88.6 | Confident | 87 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 7% | 0.065 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -54.2 | -44.1 | -175.9 | -29.3 | 36.5 | 0 | 0 | 0 | 113.7 | W304 M354 K355 F356 F651 F652 | W304-P352 HydrophobicContact CD2-CB 4.37Å; W304-P352 HydrophobicContact CE3-CB 3.77Å; W304-P352 HydrophobicContact CZ3-CB 3.92Å; P352-M354 VanDerWaalsContact C-N 3.28Å; P352-M354 PolarHBondContact O-N 3.17Å; P352-K355 PolarHBondContact O-N 3.3Å; P352-F356 PolarHBondContact O-N 3.23Å; P352-F356 VanDerWaalsContact O-N 3.1Å; P352-F651 HydrophobicContact CB-CB 4.41Å; P352-F652 HydrophobicContact CB-CD1 3.62Å; P352-F652 HydrophobicContact CB-CE1 3.59Å; P352-F652 HydrophobicContact CG-CD1 3.5Å; P352-F652 VanDerWaalsContact CG-CD1 3.5Å; P352-F652 HydrophobicContact CG-CE1 3.53Å |
| 353 | F | 88.4 | Confident | 87.7 | Confident | 13 Ų | 13 | 34.9 Ų | 34.9 | 6% | 0.057 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57 | -37.2 | 175.4 | 176.1 | -110.8 | 0 | 0 | 0 | 113.3 | W304 Y305 A351 L357 | W304-F353 HydrophobicContact CZ2-CB 4.43Å; W304-F353 HydrophobicContact CZ2-CD2 4.33Å; W304-F353 AromaticContact NE1-CD2 3.61Å; W304-F353 VanDerWaalsContact O-CB 3.32Å; W304-F353 WeakPolarHBondContact O-CB 3.41Å; W304-F353 PolarHBondContact O-N 3.27Å; Y305-F353 HydrophobicContact CD1-CB 4.42Å; Y305-F353 HydrophobicContact CD1-CG 4.3Å; Y305-F353 HydrophobicContact CE1-CD2 4.03Å; Y305-F353 HydrophobicContact CE1-CE2 4.39Å; Y305-F353 HydrophobicContact CE1-CG 4.22Å; A351-F353 VanDerWaalsContact C-N 3.3Å; A351-F353 PolarHBondContact O-N 2.91Å; F353-L357 HydrophobicContact CE1-CD2 4.27Å; F353-L357 HydrophobicContact CZ-CD2 4.36Å; F353-L357 VanDerWaalsContact O-CB 3.28Å; F353-L357 WeakPolarHBondContact O-CB 3.09Å; F353-L357 PolarHBondContact O-N 3.41Å |
| 354 | M | 88.8 | Confident | 88.1 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72 | -40 | 179 | -68.4 | -59 | -65.7 | 0 | 0 | 112.2 | F308 L326 L348 A351 P352 F356 L357 Y358 | F308-M354 HydrophobicContact CE2-CG 3.69Å; F308-M354 HydrophobicContact CE2-SD 3.65Å; F308-M354 HydrophobicContact CZ-CG 4.27Å; F308-M354 HydrophobicContact CZ-SD 3.71Å; L326-M354 HydrophobicContact CD1-SD 4.05Å; L326-M354 HydrophobicContact CD2-CE 4.01Å; L326-M354 HydrophobicContact CD2-SD 4.43Å; L348-M354 VanDerWaalsContact O-CG 3.32Å; L348-M354 WeakPolarHBondContact O-CG 3.43Å; A351-M354 HydrophobicContact CB-CB 4.47Å; A351-M354 HydrophobicContact CB-CG 4.22Å; A351-M354 WeakPolarHBondContact O-CB 3.36Å; A351-M354 PolarHBondContact O-N 3.44Å; P352-M354 VanDerWaalsContact C-N 3.28Å; P352-M354 PolarHBondContact O-N 3.17Å; M354-F356 VanDerWaalsContact C-N 3.33Å; M354-F356 PolarHBondContact O-N 3.41Å; M354-L357 PolarHBondContact O-N 2.9Å; M354-L357 HydrophobicContact SD-CD2 4.37Å; M354-Y358 HydrophobicContact CE-CD1 4.46Å; M354-Y358 HydrophobicContact CE-CE1 3.51Å; M354-Y358 VanDerWaalsContact CE-OH 3.26Å; M354-Y358 WeakPolarHBondContact CE-OH 3.34Å; M354-Y358 WeakPolarHBondContact O-CB 3.4Å; M354-Y358 PolarHBondContact O-N 3.05Å |
| 355 | K | 89.2 | Confident | 88.5 | Confident | 14 Ų | 14 | 25.9 Ų | 25.9 | 6% | 0.061 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 173.7 | -57.5 | -177.7 | -157.8 | 164.1 | 0 | 111 | R350 A351 P352 Y358 Y359 F651 D653 T657 | R350-K355 WeakPolarHBondContact O-CE 3.44Å; A351-K355 PolarHBondContact O-N 2.81Å; P352-K355 PolarHBondContact O-N 3.3Å; K355-Y358 PolarHBondContact O-N 2.86Å; K355-Y359 WeakPolarHBondContact O-CB 3.49Å; K355-Y359 PolarHBondContact O-N 3.42Å; K355-F651 HydrophobicContact CB-CD1 3.83Å; K355-F651 WeakPolarHBondContact CD-O 3.1Å; K355-F651 WeakPolarHBondContact CE-O 3.41Å; K355-F651 PolarHBondContact NZ-O 3.24Å; K355-D653 PolarHBondContact NZ-O 3.12Å; K355-T657 HydrophobicContact CD-CG2 4.5Å |
| 356 | F | 90.4 | Very high | 88.9 | Confident | 24 Ų | 24 | 23.2 Ų | 23.2 | 11% | 0.105 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 177.2 | 168.2 | -96.2 | 0 | 0 | 0 | 112.7 | W304 P352 M354 Y358 Y359 S360 L500 M503 F651 | W304-F356 HydrophobicContact CH2-CB 3.53Å; W304-F356 HydrophobicContact CH2-CD1 4.47Å; W304-F356 HydrophobicContact CH2-CD2 4.49Å; W304-F356 AromaticContact CH2-CG 3.91Å; W304-F356 HydrophobicContact CH2-CG 3.91Å; W304-F356 HydrophobicContact CZ2-CB 3.74Å; W304-F356 AromaticContact CZ2-CD1 3.98Å; W304-F356 HydrophobicContact CZ2-CD1 3.98Å; W304-F356 AromaticContact CZ2-CG 3.88Å; W304-F356 HydrophobicContact CZ2-CG 3.88Å; P352-F356 PolarHBondContact O-N 3.23Å; P352-F356 VanDerWaalsContact O-N 3.1Å; M354-F356 VanDerWaalsContact C-N 3.33Å; M354-F356 PolarHBondContact O-N 3.41Å; F356-Y358 VanDerWaalsContact C-N 3.35Å; F356-Y358 PolarHBondContact O-N 3.49Å; F356-Y359 PolarHBondContact O-N 3Å; F356-S360 WeakPolarHBondContact CE2-OG 3.47Å; F356-S360 VanDerWaalsContact CZ-OG 3.32Å; F356-S360 WeakPolarHBondContact CZ-OG 3.23Å; F356-S360 WeakPolarHBondContact O-CB 3.46Å; F356-S360 PolarHBondContact O-N 3.34Å; F356-S360 PolarHBondContact O-OG 2.91Å; F356-L500 HydrophobicContact CE2-CD2 3.89Å; F356-L500 HydrophobicContact CZ-CD2 4.36Å; F356-M503 HydrophobicContact CD1-CE 4.12Å; F356-M503 HydrophobicContact CE1-CE 4.03Å; F356-M503 HydrophobicContact CE1-CG 4.31Å; F356-M503 HydrophobicContact CE2-CE 4.43Å; F356-M503 HydrophobicContact CE2-CG 3.7Å; F356-M503 HydrophobicContact CE2-SD 4.49Å; F356-M503 HydrophobicContact CG-CE 4.38Å; F356-M503 HydrophobicContact CZ-CB 4.14Å; F356-M503 HydrophobicContact CZ-CE 4.2Å; F356-M503 HydrophobicContact CZ-CG 3.6Å; F356-F651 HydrophobicContact CB-CD1 4.25Å; F356-F651 HydrophobicContact CB-CD2 4.17Å; F356-F651 HydrophobicContact CB-CE1 4.2Å; F356-F651 HydrophobicContact CB-CE2 4.12Å; F356-F651 HydrophobicContact CB-CG 4.23Å; F356-F651 HydrophobicContact CB-CZ 4.14Å; F356-F651 HydrophobicContact CD2-CD2 4.44Å; F356-F651 AromaticContact CD2-CE2 3.71Å; F356-F651 HydrophobicContact CD2-CE2 3.71Å; F356-F651 AromaticContact CD2-CZ 3.84Å; F356-F651 HydrophobicContact CD2-CZ 3.84Å; F356-F651 HydrophobicContact CG-CE2 4.39Å |
| 357 | L | 90 | Very high | 89.5 | Confident | 14 Ų | 14 | 23.9 Ų | 23.9 | 7% | 0.073 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 177.7 | -175.4 | 62.2 | 0 | 0 | 0 | 111.1 | L326 I327 F353 M354 S360 T361 | L326-L357 HydrophobicContact CB-CD2 3.7Å; L326-L357 HydrophobicContact CD1-CD2 4.2Å; I327-L357 HydrophobicContact CD1-CD1 4.3Å; I327-L357 HydrophobicContact CG1-CD1 4.01Å; I327-L357 HydrophobicContact CG1-CG 4.49Å; F353-L357 HydrophobicContact CE1-CD2 4.27Å; F353-L357 HydrophobicContact CZ-CD2 4.36Å; F353-L357 VanDerWaalsContact O-CB 3.28Å; F353-L357 WeakPolarHBondContact O-CB 3.09Å; F353-L357 PolarHBondContact O-N 3.41Å; M354-L357 PolarHBondContact O-N 2.9Å; M354-L357 HydrophobicContact SD-CD2 4.37Å; L357-S360 PolarHBondContact O-N 3.47Å; L357-T361 VanDerWaalsContact O-CB 3.28Å; L357-T361 WeakPolarHBondContact O-CB 3.49Å; L357-T361 PolarHBondContact O-N 3.42Å; L357-T361 PolarHBondContact O-OG1 2.88Å |
| 358 | Y | 89.9 | Confident | 90 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.2 | -37.7 | 176.9 | -69.2 | -1.7 | 0 | 0 | 0 | 112.9 | W330 L333 V349 M354 K355 F356 T361 S362 S659 | W330-Y358 HydrophobicContact CB-CD1 3.98Å; W330-Y358 HydrophobicContact CB-CE1 3.94Å; L333-Y358 WeakPolarHBondContact CB-OH 3.39Å; L333-Y358 VanDerWaalsContact CD1-OH 3.23Å; L333-Y358 WeakPolarHBondContact CD1-OH 3.26Å; V349-Y358 HydrophobicContact CG1-CD2 4.46Å; V349-Y358 HydrophobicContact CG1-CE2 3.87Å; V349-Y358 HydrophobicContact CG2-CE2 4.03Å; M354-Y358 HydrophobicContact CE-CD1 4.46Å; M354-Y358 HydrophobicContact CE-CE1 3.51Å; M354-Y358 VanDerWaalsContact CE-OH 3.26Å; M354-Y358 WeakPolarHBondContact CE-OH 3.34Å; M354-Y358 WeakPolarHBondContact O-CB 3.4Å; M354-Y358 PolarHBondContact O-N 3.05Å; K355-Y358 PolarHBondContact O-N 2.86Å; F356-Y358 VanDerWaalsContact C-N 3.35Å; F356-Y358 PolarHBondContact O-N 3.49Å; Y358-T361 PolarHBondContact O-N 3.05Å; Y358-S362 VanDerWaalsContact O-CB 3.24Å; Y358-S362 WeakPolarHBondContact O-CB 3.45Å; Y358-S362 PolarHBondContact O-N 3.33Å; Y358-S659 VanDerWaalsContact C-OG 3.29Å; Y358-S659 PolarHBondContact O-OG 2.9Å |
| 359 | Y | 90.6 | Very high | 90.3 | Very high | 54 Ų | 54 | 24.5 Ų | 24.5 | 21% | 0.212 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.5 | -49.4 | 171.8 | 177.5 | -98.2 | 0 | 0 | 0 | 111.1 | K355 F356 T361 S362 F363 R496 L500 F651 S659 | K355-Y359 WeakPolarHBondContact O-CB 3.49Å; K355-Y359 PolarHBondContact O-N 3.42Å; F356-Y359 PolarHBondContact O-N 3Å; Y359-T361 VanDerWaalsContact C-N 3.35Å; Y359-T361 PolarHBondContact O-N 3.28Å; Y359-S362 PolarHBondContact O-N 2.93Å; Y359-F363 WeakPolarHBondContact O-CB 3.38Å; Y359-F363 PolarHBondContact O-N 3.32Å; Y359-R496 PolarHBondContact OH-NH2 2.92Å; Y359-R496 VanDerWaalsContact OH-NH2 3.12Å; Y359-L500 HydrophobicContact CD1-CD2 4.39Å; Y359-L500 HydrophobicContact CE1-CD2 4.28Å; Y359-F651 HydrophobicContact CD1-CZ 4.45Å; Y359-S659 WeakPolarHBondContact CA-OG 3.46Å; Y359-S659 PolarHBondContact N-OG 3.19Å |
| 360 | S | 91.3 | Very high | 90.7 | Very high | 26 Ų | 26 | 24.6 Ų | 24.6 | 18% | 0.182 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.5 | -39.5 | 178.7 | -53.3 | 0 | 0 | 0 | 0 | 112.1 | F356 L357 F363 G364 | F356-S360 WeakPolarHBondContact CE2-OG 3.47Å; F356-S360 VanDerWaalsContact CZ-OG 3.32Å; F356-S360 WeakPolarHBondContact CZ-OG 3.23Å; F356-S360 WeakPolarHBondContact O-CB 3.46Å; F356-S360 PolarHBondContact O-N 3.34Å; F356-S360 PolarHBondContact O-OG 2.91Å; L357-S360 PolarHBondContact O-N 3.47Å; S360-F363 PolarHBondContact O-N 3.47Å; S360-G364 PolarHBondContact O-N 3.07Å |
| 361 | T | 91.6 | Very high | 91 | Very high | 12 Ų | 12 | 23.3 Ų | 23.3 | 7% | 0.074 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.2 | -48.2 | 176.9 | -57 | 0 | 0 | 0 | 0 | 111.2 | I327 W330 L357 Y358 Y359 F363 G364 C365 | I327-T361 HydrophobicContact CG2-CG2 3.97Å; W330-T361 HydrophobicContact CB-CG2 4.32Å; W330-T361 HydrophobicContact CD2-CG2 3.91Å; W330-T361 HydrophobicContact CG-CG2 3.73Å; L357-T361 VanDerWaalsContact O-CB 3.28Å; L357-T361 WeakPolarHBondContact O-CB 3.49Å; L357-T361 PolarHBondContact O-N 3.42Å; L357-T361 PolarHBondContact O-OG1 2.88Å; Y358-T361 PolarHBondContact O-N 3.05Å; Y359-T361 VanDerWaalsContact C-N 3.35Å; Y359-T361 PolarHBondContact O-N 3.28Å; T361-F363 VanDerWaalsContact C-N 3.27Å; T361-F363 PolarHBondContact O-N 3.07Å; T361-G364 PolarHBondContact O-N 2.94Å; T361-C365 WeakPolarHBondContact O-CB 3.41Å; T361-C365 PolarHBondContact O-N 2.83Å; T361-C365 PolarHBondContact O-SG 3.11Å |
| 362 | S | 92.5 | Very high | 91.1 | Very high | 5 Ų | 5 | 27.2 Ų | 27.2 | 4% | 0.035 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -53.6 | -45.1 | 173.7 | 164 | 0 | 0 | 0 | 0 | 111.7 | Y358 Y359 C365 F366 W408 A660 | Y358-S362 VanDerWaalsContact O-CB 3.24Å; Y358-S362 WeakPolarHBondContact O-CB 3.45Å; Y358-S362 PolarHBondContact O-N 3.33Å; Y359-S362 PolarHBondContact O-N 2.93Å; S362-C365 PolarHBondContact O-N 2.95Å; S362-F366 WeakPolarHBondContact O-CB 3.46Å; S362-F366 PolarHBondContact O-N 3.26Å; S362-W408 PolarHBondContact O-NE1 2.92Å; S362-W408 PolarHBondContact OG-NE1 2.74Å; S362-A660 WeakPolarHBondContact CB-O 3.48Å; S362-A660 PolarHBondContact OG-O 3.39Å |
| 363 | F | 93.3 | Very high | 91 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -71.9 | -39.7 | -178.8 | -162.8 | -107.9 | 0 | 0 | 0 | 112.2 | Y359 S360 T361 C365 F366 L367 M412 S493 R496 I497 | Y359-F363 WeakPolarHBondContact O-CB 3.38Å; Y359-F363 PolarHBondContact O-N 3.32Å; S360-F363 PolarHBondContact O-N 3.47Å; T361-F363 VanDerWaalsContact C-N 3.27Å; T361-F363 PolarHBondContact O-N 3.07Å; F363-C365 PolarHBondContact O-N 3.16Å; F363-F366 HydrophobicContact CD2-CD1 4.24Å; F363-F366 AromaticContact CE2-CD1 3.95Å; F363-F366 HydrophobicContact CE2-CD1 3.95Å; F363-F366 HydrophobicContact CE2-CE1 4.36Å; F363-F366 WeakPolarHBondContact O-CB 3.36Å; F363-F366 PolarHBondContact O-N 3.4Å; F363-L367 HydrophobicContact CD1-CD1 3.75Å; F363-L367 HydrophobicContact CD1-CG 4.3Å; F363-L367 HydrophobicContact CE1-CD1 3.61Å; F363-L367 HydrophobicContact CE1-CD2 4.29Å; F363-L367 HydrophobicContact CE1-CG 4.04Å; F363-L367 HydrophobicContact CZ-CD1 4.42Å; F363-L367 HydrophobicContact CZ-CD2 4.34Å; F363-L367 HydrophobicContact CZ-CG 4.4Å; F363-L367 WeakPolarHBondContact O-CG 3.41Å; F363-L367 PolarHBondContact O-N 3.41Å; F363-M412 HydrophobicContact CD2-SD 4.15Å; F363-M412 HydrophobicContact CE2-SD 4.24Å; F363-S493 WeakPolarHBondContact CZ-O 3.35Å; F363-R496 HydrophobicContact CE1-CB 3.96Å; F363-R496 HydrophobicContact CE1-CG 3.8Å; F363-R496 HydrophobicContact CE2-CG 4.19Å; F363-R496 HydrophobicContact CZ-CB 3.68Å; F363-R496 HydrophobicContact CZ-CG 3.54Å; F363-I497 HydrophobicContact CE1-CG1 4.26Å |
| 364 | G | 93.1 | Very high | 90.7 | Very high | 38 Ų | 38 | 30.2 Ų | 30.2 | 39% | 0.392 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.7 | -41.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S360 T361 L367 F368 | S360-G364 PolarHBondContact O-N 3.07Å; T361-G364 PolarHBondContact O-N 2.94Å; G364-L367 PolarHBondContact O-N 3.31Å; G364-F368 WeakPolarHBondContact O-CB 3.31Å; G364-F368 PolarHBondContact O-N 3.34Å |
| 365 | C | 93.1 | Very high | 90.3 | Very high | 41 Ų | 41 | 36.7 Ų | 36.7 | 28% | 0.277 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.2 | -39.1 | 173.5 | -69.3 | 0 | 0 | 0 | 0 | 112.5 | T361 S362 F363 F368 L369 W408 | T361-C365 WeakPolarHBondContact O-CB 3.41Å; T361-C365 PolarHBondContact O-N 2.83Å; T361-C365 PolarHBondContact O-SG 3.11Å; S362-C365 PolarHBondContact O-N 2.95Å; F363-C365 PolarHBondContact O-N 3.16Å; C365-F368 PolarHBondContact O-N 3.32Å; C365-L369 WeakPolarHBondContact O-CG 3.15Å; C365-L369 PolarHBondContact O-N 3.27Å; C365-W408 HydrophobicContact CB-CZ2 4.1Å |
| 366 | F | 93.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.2 | -48.3 | 174.3 | 171.4 | -106.7 | 0 | 0 | 0 | 111.8 | S362 F363 F368 L369 L370 I405 W408 V409 M412 Y444 | S362-F366 WeakPolarHBondContact O-CB 3.46Å; S362-F366 PolarHBondContact O-N 3.26Å; F363-F366 HydrophobicContact CD2-CD1 4.24Å; F363-F366 AromaticContact CE2-CD1 3.95Å; F363-F366 HydrophobicContact CE2-CD1 3.95Å; F363-F366 HydrophobicContact CE2-CE1 4.36Å; F363-F366 WeakPolarHBondContact O-CB 3.36Å; F363-F366 PolarHBondContact O-N 3.4Å; F366-F368 VanDerWaalsContact C-N 3.33Å; F366-F368 PolarHBondContact O-N 3.29Å; F366-L369 WeakPolarHBondContact O-CB 3.08Å; F366-L369 PolarHBondContact O-N 2.93Å; F366-L369 VanDerWaalsContact O-N 3.17Å; F366-L370 HydrophobicContact CD1-CD1 4.23Å; F366-L370 HydrophobicContact CE1-CD1 3.65Å; F366-L370 HydrophobicContact CE1-CG 4.34Å; F366-L370 HydrophobicContact CE2-CD2 4.45Å; F366-L370 HydrophobicContact CE2-CG 4.46Å; F366-L370 HydrophobicContact CZ-CD1 3.83Å; F366-L370 HydrophobicContact CZ-CD2 4.28Å; F366-L370 HydrophobicContact CZ-CG 4.2Å; F366-L370 PolarHBondContact O-N 2.96Å; F366-I405 HydrophobicContact CE2-CG2 3.97Å; F366-W408 HydrophobicContact CB-CG 4.31Å; F366-W408 HydrophobicContact CD2-CB 3.69Å; F366-W408 HydrophobicContact CD2-CG 4.02Å; F366-W408 HydrophobicContact CE2-CB 4.23Å; F366-V409 HydrophobicContact CE2-CG2 3.92Å; F366-V409 HydrophobicContact CZ-CG2 4.14Å; F366-M412 HydrophobicContact CD1-CE 4.02Å; F366-M412 HydrophobicContact CD2-CE 3.92Å; F366-M412 HydrophobicContact CE1-CE 3.78Å; F366-M412 HydrophobicContact CE2-CE 3.67Å; F366-M412 HydrophobicContact CG-CE 4.08Å; F366-M412 HydrophobicContact CZ-CE 3.61Å; F366-Y444 HydrophobicContact CE1-CE2 4.34Å; F366-Y444 AromaticContact CZ-CE2 3.88Å; F366-Y444 HydrophobicContact CZ-CE2 3.88Å; F366-Y444 AromaticContact CZ-CZ 3.97Å |
| 367 | L | 93.9 | Very high | 88.1 | Confident | 14 Ų | 14 | 41.8 Ų | 41.8 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -39.6 | 175.8 | -67.3 | 167 | 0 | 0 | 0 | 112.3 | F363 G364 L369 L370 T371 S493 F494 I497 | F363-L367 HydrophobicContact CD1-CD1 3.75Å; F363-L367 HydrophobicContact CD1-CG 4.3Å; F363-L367 HydrophobicContact CE1-CD1 3.61Å; F363-L367 HydrophobicContact CE1-CD2 4.29Å; F363-L367 HydrophobicContact CE1-CG 4.04Å; F363-L367 HydrophobicContact CZ-CD1 4.42Å; F363-L367 HydrophobicContact CZ-CD2 4.34Å; F363-L367 HydrophobicContact CZ-CG 4.4Å; F363-L367 WeakPolarHBondContact O-CG 3.41Å; F363-L367 PolarHBondContact O-N 3.41Å; G364-L367 PolarHBondContact O-N 3.31Å; L367-L369 VanDerWaalsContact C-N 3.34Å; L367-L369 PolarHBondContact O-N 3.01Å; L367-L370 HydrophobicContact CD2-CD1 4.39Å; L367-L370 PolarHBondContact O-N 3.41Å; L367-T371 PolarHBondContact O-N 2.97Å; L367-S493 WeakPolarHBondContact CD2-OG 3.48Å; L367-F494 HydrophobicContact CB-CE1 4.41Å; L367-F494 HydrophobicContact CD2-CD1 4.06Å; L367-F494 HydrophobicContact CD2-CE1 4.05Å; L367-F494 HydrophobicContact CD2-CG 4.28Å; L367-F494 HydrophobicContact CD2-CZ 4.26Å; L367-I497 HydrophobicContact CD1-CD1 3.6Å; L367-I497 HydrophobicContact CD1-CG1 3.55Å |
| 368 | F | 92.7 | Very high | 86.6 | Confident | 134 Ų | 134 | 49.9 Ų | 49.9 | 59% | 0.588 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -61.1 | -43.1 | 173.6 | -177.1 | -97.8 | 0 | 0 | 0 | 111.5 | G364 C365 F366 L370 T371 F372 | G364-F368 WeakPolarHBondContact O-CB 3.31Å; G364-F368 PolarHBondContact O-N 3.34Å; C365-F368 PolarHBondContact O-N 3.32Å; F366-F368 VanDerWaalsContact C-N 3.33Å; F366-F368 PolarHBondContact O-N 3.29Å; F368-L370 VanDerWaalsContact C-N 3.35Å; F368-L370 PolarHBondContact O-N 3.29Å; F368-T371 PolarHBondContact O-N 3.17Å; F368-T371 PolarHBondContact O-OG1 3.46Å; F368-F372 WeakPolarHBondContact O-CB 3.18Å; F368-F372 PolarHBondContact O-N 2.88Å |
| 369 | L | 92.5 | Very high | 84.8 | Confident | 24 Ų | 24 | 58.6 Ų | 58.6 | 13% | 0.126 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63 | -36.8 | 174.4 | -72.7 | 169 | 0 | 0 | 0 | 112.7 | C365 F366 L367 F372 A373 V401 L404 I405 W408 | C365-L369 WeakPolarHBondContact O-CG 3.15Å; C365-L369 PolarHBondContact O-N 3.27Å; F366-L369 WeakPolarHBondContact O-CB 3.08Å; F366-L369 PolarHBondContact O-N 2.93Å; F366-L369 VanDerWaalsContact O-N 3.17Å; L367-L369 VanDerWaalsContact C-N 3.34Å; L367-L369 PolarHBondContact O-N 3.01Å; L369-F372 PolarHBondContact O-N 3.26Å; L369-A373 PolarHBondContact O-N 2.85Å; L369-V401 HydrophobicContact CD2-CG1 4.32Å; L369-L404 HydrophobicContact CD1-CB 4.27Å; L369-L404 HydrophobicContact CD2-CD1 4.22Å; L369-I405 HydrophobicContact CB-CG1 4.2Å; L369-W408 HydrophobicContact CD1-CD2 4.29Å; L369-W408 HydrophobicContact CD1-CE3 3.68Å; L369-W408 HydrophobicContact CD1-CH2 3.86Å; L369-W408 HydrophobicContact CD1-CZ2 4.44Å; L369-W408 HydrophobicContact CD1-CZ3 3.45Å; L369-W408 VanDerWaalsContact CD1-CZ3 3.45Å |
| 370 | L | 92.2 | Very high | 82.9 | Confident | 4 Ų | 4 | 59.5 Ų | 59.5 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.1 | -45.9 | 172.3 | -66.7 | 177.3 | 0 | 0 | 0 | 111.7 | F366 L367 F368 F372 A373 T374 I405 Y444 F486 S493 | F366-L370 HydrophobicContact CD1-CD1 4.23Å; F366-L370 HydrophobicContact CE1-CD1 3.65Å; F366-L370 HydrophobicContact CE1-CG 4.34Å; F366-L370 HydrophobicContact CE2-CD2 4.45Å; F366-L370 HydrophobicContact CE2-CG 4.46Å; F366-L370 HydrophobicContact CZ-CD1 3.83Å; F366-L370 HydrophobicContact CZ-CD2 4.28Å; F366-L370 HydrophobicContact CZ-CG 4.2Å; F366-L370 PolarHBondContact O-N 2.96Å; L367-L370 HydrophobicContact CD2-CD1 4.39Å; L367-L370 PolarHBondContact O-N 3.41Å; F368-L370 VanDerWaalsContact C-N 3.35Å; F368-L370 PolarHBondContact O-N 3.29Å; L370-F372 VanDerWaalsContact C-N 3.31Å; L370-F372 PolarHBondContact O-N 2.91Å; L370-A373 PolarHBondContact O-N 3.39Å; L370-T374 PolarHBondContact O-N 3.43Å; L370-I405 HydrophobicContact CD2-CD1 3.99Å; L370-I405 HydrophobicContact CD2-CG1 4.29Å; L370-I405 HydrophobicContact CD2-CG2 3.97Å; L370-Y444 VanDerWaalsContact CD1-OH 3.26Å; L370-Y444 WeakPolarHBondContact CD1-OH 3.47Å; L370-F486 HydrophobicContact CD2-CE2 4.25Å; L370-F486 HydrophobicContact CD2-CZ 4.11Å; L370-S493 VanDerWaalsContact CD1-OG 3.32Å; L370-S493 WeakPolarHBondContact CD1-OG 3.49Å |
| 371 | T | 90 | Very high | 81 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 26% | 0.264 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63 | -39.7 | 174.5 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | L367 F368 A373 T374 F375 F494 | L367-T371 PolarHBondContact O-N 2.97Å; F368-T371 PolarHBondContact O-N 3.17Å; F368-T371 PolarHBondContact O-OG1 3.46Å; T371-A373 PolarHBondContact O-N 3.15Å; T371-T374 PolarHBondContact O-N 3.17Å; T371-T374 PolarHBondContact O-OG1 3.4Å; T371-F375 WeakPolarHBondContact O-CD2 3.38Å; T371-F375 PolarHBondContact O-N 3.02Å; T371-F494 HydrophobicContact CG2-CE1 4.49Å; T371-F494 HydrophobicContact CG2-CZ 3.8Å |
| 372 | F | 88.2 | Confident | 79.2 | Confident | 92 Ų | 92 | 66.4 Ų | 66.4 | 40% | 0.404 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 179.6 | -172 | -94.5 | 0 | 0 | 0 | 111.7 | F368 L369 L370 T374 F375 E376 V401 | F368-F372 WeakPolarHBondContact O-CB 3.18Å; F368-F372 PolarHBondContact O-N 2.88Å; L369-F372 PolarHBondContact O-N 3.26Å; L370-F372 VanDerWaalsContact C-N 3.31Å; L370-F372 PolarHBondContact O-N 2.91Å; F372-T374 PolarHBondContact O-N 3.04Å; F372-F375 CarbonylContact O-C 3.53Å; F372-F375 PolarHBondContact O-N 3.38Å; F372-F375 VanDerWaalsContact O-N 3.17Å; F372-E376 WeakPolarHBondContact O-CB 3.34Å; F372-E376 PolarHBondContact O-N 2.76Å; F372-V401 HydrophobicContact CD1-CG1 4.15Å; F372-V401 HydrophobicContact CD1-CG2 3.68Å; F372-V401 HydrophobicContact CE1-CG2 3.73Å |
| 373 | A | 84.9 | Confident | 77.2 | Confident | 8 Ų | 8 | 70 Ų | 70 | 7% | 0.066 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.5 | -48.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L369 L370 T371 F375 E376 D377 V401 I405 | L369-A373 PolarHBondContact O-N 2.85Å; L370-A373 PolarHBondContact O-N 3.39Å; T371-A373 PolarHBondContact O-N 3.15Å; A373-F375 PolarHBondContact O-N 2.93Å; A373-E376 WeakPolarHBondContact O-CB 3.48Å; A373-E376 PolarHBondContact O-N 3.14Å; A373-E376 VanDerWaalsContact O-N 3.12Å; A373-D377 PolarHBondContact O-N 3.07Å; A373-V401 HydrophobicContact CB-CG1 3.93Å; A373-I405 HydrophobicContact CB-CD1 3.99Å |
| 374 | T | 81.9 | Confident | 75.4 | Confident | 77 Ų | 77 | 72 Ų | 72 | 47% | 0.472 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.3 | -25.9 | 177.6 | 55.7 | 0 | 0 | 0 | 0 | 113.9 | L370 T371 F372 | L370-T374 PolarHBondContact O-N 3.43Å; T371-T374 PolarHBondContact O-N 3.17Å; T371-T374 PolarHBondContact O-OG1 3.4Å; F372-T374 PolarHBondContact O-N 3.04Å |
| 375 | F | 80.2 | Confident | 73.6 | Confident | 138 Ų | 138 | 74.3 Ų | 74.3 | 61% | 0.605 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -85.9 | -26.3 | 173.2 | -73.5 | -58.8 | 0 | 0 | 0 | 113.5 | T371 F372 A373 R379 | T371-F375 WeakPolarHBondContact O-CD2 3.38Å; T371-F375 PolarHBondContact O-N 3.02Å; F372-F375 CarbonylContact O-C 3.53Å; F372-F375 PolarHBondContact O-N 3.38Å; F372-F375 VanDerWaalsContact O-N 3.17Å; A373-F375 PolarHBondContact O-N 2.93Å; F375-R379 WeakPolarHBondContact O-CB 3Å; F375-R379 PolarHBondContact O-N 3.32Å |
| 376 | E | 71.3 | Confident | 71.8 | Confident | 47 Ų | 47 | 78.4 Ų | 78.4 | 22% | 0.22 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61.9 | -53 | 174.9 | -174.8 | 166.9 | -114.7 | 0 | 0 | 109.4 | F372 A373 Y378 R379 H380 S399 V401 | F372-E376 WeakPolarHBondContact O-CB 3.34Å; F372-E376 PolarHBondContact O-N 2.76Å; A373-E376 WeakPolarHBondContact O-CB 3.48Å; A373-E376 PolarHBondContact O-N 3.14Å; A373-E376 VanDerWaalsContact O-N 3.12Å; E376-Y378 PolarHBondContact O-N 3.15Å; E376-R379 PolarHBondContact O-N 3.01Å; E376-H380 PolarHBondContact O-CD2 3.48Å; E376-H380 VanDerWaalsContact O-CD2 3.29Å; E376-H380 PolarHBondContact O-N 2.91Å; E376-S399 PolarHBondContact OE2-OG 3.47Å; E376-S399 VanDerWaalsContact OE2-OG 3.04Å; E376-V401 VanDerWaalsContact OE2-CG2 3.24Å; E376-V401 WeakPolarHBondContact OE2-CG2 3.49Å |
| 377 | D | 62.4 | Low | 69.9 | Low | 97 Ų | 97 | 80 Ų | 80 | 52% | 0.519 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -56.2 | -46.5 | 176.3 | -68.4 | -34.1 | 0 | 0 | 0 | 112.2 | A373 R379 H380 S381 | A373-D377 PolarHBondContact O-N 3.07Å; D377-R379 PolarHBondContact O-N 3.07Å; D377-H380 PolarHBondContact O-N 2.72Å; D377-S381 VanDerWaalsContact O-CB 3.31Å; D377-S381 WeakPolarHBondContact O-CB 3.44Å; D377-S381 PolarHBondContact O-N 2.81Å |
| 378 | Y | 59.1 | Low | 68 | Low | 185 Ų | 185 | 83 Ų | 83 | 73% | 0.725 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.5 | -39.4 | 179.3 | -167.6 | -94 | 0 | 0 | 0 | 112.6 | E376 | E376-Y378 PolarHBondContact O-N 3.15Å |
| 379 | R | 51.1 | Low | 66.4 | Low | 184 Ų | 184 | 81 Ų | 81 | 69% | 0.694 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -73.7 | -29.9 | -178.7 | -160.8 | -177.1 | 75.6 | 117.2 | 7.8 | 112.4 | F375 E376 D377 | F375-R379 WeakPolarHBondContact O-CB 3Å; F375-R379 PolarHBondContact O-N 3.32Å; E376-R379 PolarHBondContact O-N 3.01Å; D377-R379 PolarHBondContact O-N 3.07Å |
| 380 | H | 51.1 | Low | 65.1 | Low | 73 Ų | 73 | 84.2 Ų | 84.2 | 34% | 0.338 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -75.7 | -42.4 | 173.2 | -84.1 | -84.4 | 0 | 0 | 0 | 112.2 | E376 D377 A382 S383 | E376-H380 PolarHBondContact O-CD2 3.48Å; E376-H380 VanDerWaalsContact O-CD2 3.29Å; E376-H380 PolarHBondContact O-N 2.91Å; D377-H380 PolarHBondContact O-N 2.72Å; H380-A382 PolarHBondContact O-N 3.44Å; H380-S383 WeakPolarHBondContact O-CB 3.34Å; H380-S383 PolarHBondContact O-N 3.02Å; H380-S383 PolarHBondContact O-OG 3.5Å |
| 381 | S | 52 | Low | 64 | Low | 94 Ų | 94 | 87.2 Ų | 87.2 | 66% | 0.657 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -52.4 | -27 | 176.7 | -174.6 | 0 | 0 | 0 | 0 | 114.5 | D377 S383 | D377-S381 VanDerWaalsContact O-CB 3.31Å; D377-S381 WeakPolarHBondContact O-CB 3.44Å; D377-S381 PolarHBondContact O-N 2.81Å; S381-S383 PolarHBondContact O-N 2.83Å |
| 382 | A | 53.5 | Low | 63 | Low | 90 Ų | 90 | 85.7 Ų | 85.7 | 74% | 0.744 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -5.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | H380 | H380-A382 PolarHBondContact O-N 3.44Š|
| 383 | S | 51.1 | Low | 62.4 | Low | 81 Ų | 81 | 84.9 Ų | 84.9 | 57% | 0.566 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | -29.2 | -156.8 | 74.8 | 0 | 0 | 0 | 0 | 117.6 | H380 S381 | H380-S383 WeakPolarHBondContact O-CB 3.34Å; H380-S383 PolarHBondContact O-N 3.02Å; H380-S383 PolarHBondContact O-OG 3.5Å; S381-S383 PolarHBondContact O-N 2.83Å |
| 384 | S | 54.3 | Low | 61.9 | Low | 49 Ų | 49 | 85.5 Ų | 85.5 | 34% | 0.343 | 47% | 0.47 | S | S | . | . | trans | -156.1 | 157 | -176.6 | 90.6 | 0 | 0 | 0 | 0 | 115.5 | I386 D387 | S384-I386 PolarHBondContact O-N 3.36Å; S384-I386 WeakPolarHBondContact OG-CB 3.37Å; S384-I386 PolarHBondContact OG-N 3.44Å; S384-D387 PolarHBondContact O-N 2.93Å; S384-D387 PolarHBondContact OG-OD2 2.64Å | ||
| 385 | A | 57.1 | Low | 61.8 | Low | 85 Ų | 85 | 82.2 Ų | 82.2 | 70% | 0.702 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -2.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S388 | A385-S388 PolarHBondContact O-OG 2.98Š|
| 386 | I | 55 | Low | 61.7 | Low | 127 Ų | 127 | 77.6 Ų | 77.6 | 65% | 0.651 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -27.5 | 175.6 | -52.3 | 173.1 | 0 | 0 | 0 | 109.8 | S384 L389 R390 | S384-I386 PolarHBondContact O-N 3.36Å; S384-I386 WeakPolarHBondContact OG-CB 3.37Å; S384-I386 PolarHBondContact OG-N 3.44Å; I386-L389 WeakPolarHBondContact O-CB 3.37Å; I386-L389 PolarHBondContact O-N 2.94Å; I386-R390 PolarHBondContact O-N 3.25Å |
| 387 | D | 54.3 | Low | 62.1 | Low | 33 Ų | 33 | 78 Ų | 78 | 18% | 0.176 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -80.2 | -22.7 | -177 | -57.3 | -70.5 | 0 | 0 | 0 | 112.7 | S384 L389 R390 A391 | S384-D387 PolarHBondContact O-N 2.93Å; S384-D387 PolarHBondContact OG-OD2 2.64Å; D387-L389 PolarHBondContact O-N 2.86Å; D387-R390 PolarHBondContact O-N 3.15Å; D387-A391 PolarHBondContact O-N 3.39Å |
| 388 | S | 53.9 | Low | 63 | Low | 77 Ų | 77 | 76.6 Ų | 76.6 | 54% | 0.538 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.7 | -24.4 | 166.6 | 68 | 0 | 0 | 0 | 0 | 112.3 | A385 A392 | A385-S388 PolarHBondContact O-OG 2.98Å; S388-A392 WeakPolarHBondContact O-CB 3.44Å; S388-A392 PolarHBondContact O-N 3.05Å |
| 389 | L | 58.6 | Low | 64.1 | Low | 94 Ų | 94 | 68.8 Ų | 68.8 | 49% | 0.492 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.9 | -48.7 | 168.5 | -128.3 | 73.2 | 0 | 0 | 0 | 110.1 | I386 D387 A391 A392 E393 L467 | I386-L389 WeakPolarHBondContact O-CB 3.37Å; I386-L389 PolarHBondContact O-N 2.94Å; D387-L389 PolarHBondContact O-N 2.86Å; L389-A391 VanDerWaalsContact C-N 3.31Å; L389-A391 PolarHBondContact O-N 3.07Å; L389-A392 CarbonylContact O-C 3.59Å; L389-A392 WeakPolarHBondContact O-CA 3.25Å; L389-A392 PolarHBondContact O-N 3.47Å; L389-E393 PolarHBondContact O-N 2.98Å; L389-L467 HydrophobicContact CB-CD1 4.43Å; L389-L467 HydrophobicContact CD1-CD1 4.42Å; L389-L467 HydrophobicContact CD1-CD2 3.67Å; L389-L467 HydrophobicContact CG-CD1 3.83Å; L389-L467 HydrophobicContact CG-CD2 3.92Å; L389-L467 VanDerWaalsContact O-CD1 3.24Å; L389-L467 WeakPolarHBondContact O-CD1 3.39Å |
| 390 | R | 64.4 | Low | 65.8 | Low | 90 Ų | 90 | 67.2 Ų | 67.2 | 34% | 0.34 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.9 | -36.5 | 178.2 | -168.8 | 174.8 | -179.4 | 78.3 | 0.9 | 112.6 | I386 D387 A392 E393 A397 | I386-R390 PolarHBondContact O-N 3.25Å; D387-R390 PolarHBondContact O-N 3.15Å; R390-A392 PolarHBondContact O-N 3.42Å; R390-E393 PolarHBondContact O-N 3.24Å; R390-A397 PolarHBondContact NH2-O 3.34Å |
| 391 | A | 70 | Confident | 67.6 | Low | 68 Ų | 68 | 64 Ų | 64 | 56% | 0.562 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D387 L389 | D387-A391 PolarHBondContact O-N 3.39Å; L389-A391 VanDerWaalsContact C-N 3.31Å; L389-A391 PolarHBondContact O-N 3.07Å |
| 392 | A | 69 | Low | 69.3 | Low | 11 Ų | 11 | 60.6 Ų | 60.6 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S388 L389 R390 L467 L468 | S388-A392 WeakPolarHBondContact O-CB 3.44Å; S388-A392 PolarHBondContact O-N 3.05Å; L389-A392 CarbonylContact O-C 3.59Å; L389-A392 WeakPolarHBondContact O-CA 3.25Å; L389-A392 PolarHBondContact O-N 3.47Å; R390-A392 PolarHBondContact O-N 3.42Å; A392-L467 HydrophobicContact CB-CD1 3.87Å; A392-L467 HydrophobicContact CB-CG 4.05Å; A392-L467 WeakPolarHBondContact O-CA 3.28Å; A392-L468 WeakPolarHBondContact CA-O 3.35Å; A392-L468 WeakPolarHBondContact CB-O 3.31Å; A392-L468 PolarHBondContact O-N 3.15Å; A392-L468 VanDerWaalsContact O-O 3.1Å |
| 393 | E | 75.4 | Confident | 71 | Confident | 74 Ų | 74 | 61.2 Ų | 61.2 | 35% | 0.346 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -79 | 119.9 | -179.5 | -173.4 | 176.8 | -162 | 0 | 0 | 110 | L389 R390 G395 P396 L467 | L389-E393 PolarHBondContact O-N 2.98Å; R390-E393 PolarHBondContact O-N 3.24Å; E393-G395 PolarHBondContact O-N 2.73Å; E393-P396 HydrophobicContact CB-CB 4.37Å; E393-P396 HydrophobicContact CG-CB 4.07Å; E393-P396 WeakPolarHBondContact OE2-CB 3.26Å; E393-L467 HydrophobicContact CB-CD1 4.42Å |
| 394 | R | 75.2 | Confident | 73 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 8% | 0.079 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -77.8 | 121.5 | 172 | -73.5 | 170.3 | 157.6 | 143.6 | -6.1 | 109.4 | V458 P465 A466 W473 E477 | R394-V458 HydrophobicContact CB-CG2 3.88Å; R394-V458 WeakPolarHBondContact O-CG2 3.3Å; R394-P465 PolarHBondContact NH1-O 3.3Å; R394-A466 WeakPolarHBondContact CB-O 3.5Å; R394-A466 PolarHBondContact N-O 3.22Å; R394-W473 HydrophobicContact CG-CZ2 4.19Å; R394-E477 IonicContact CZ-OE1 2.71Å; R394-E477 IonicContact CZ-OE2 2.92Å; R394-E477 IonicContact NE-OE1 3.22Å; R394-E477 IonicContact NE-OE2 2.67Å; R394-E477 PolarHBondContact NE-OE2 2.91Å; R394-E477 IonicContact NH2-OE1 3.42Å; R394-E477 PolarHBondContact NH2-OE1 3.31Å; R394-E477 IonicContact NH2-OE2 3.22Å; R394-E477 PolarHBondContact NH2-OE2 2.82Å |
| 395 | G | 77.8 | Confident | 74.8 | Confident | 8 Ų | 8 | 57.5 Ų | 57.5 | 8% | 0.082 | 33% | 0.327 | C | S | . | . | S | Bend | trans | 64.9 | 53.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E393 | E393-G395 PolarHBondContact O-N 2.73Š|
| 396 | P | 78.4 | Confident | 76.5 | Confident | 41 Ų | 41 | 54.8 Ų | 54.8 | 27% | 0.266 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 152.3 | -177 | 29.1 | -36.8 | 0 | 0 | 0 | 111.9 | E393 | E393-P396 HydrophobicContact CB-CB 4.37Å; E393-P396 HydrophobicContact CG-CB 4.07Å; E393-P396 WeakPolarHBondContact OE2-CB 3.26Å |
| 397 | A | 80.2 | Confident | 78.3 | Confident | 55 Ų | 55 | 52 Ų | 52 | 46% | 0.455 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 137.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R390 S399 | R390-A397 PolarHBondContact NH2-O 3.34Å; A397-S399 PolarHBondContact O-N 3.03Å |
| 398 | L | 81.8 | Confident | 80.2 | Confident | 68 Ų | 68 | 51.9 Ų | 51.9 | 36% | 0.356 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 134.2 | -176.1 | -75.7 | 79.4 | 0 | 0 | 0 | 111.1 | E402 V406 | L398-E402 VanDerWaalsContact CA-OE2 3.29Å; L398-E402 WeakPolarHBondContact CA-OE2 3.34Å; L398-E402 HydrophobicContact CB-CB 4.37Å; L398-V406 HydrophobicContact CD2-CG2 4.03Å |
| 399 | S | 82.8 | Confident | 82.2 | Confident | 21 Ų | 21 | 48.2 Ų | 48.2 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 160.1 | 173.1 | 121.1 | 0 | 0 | 0 | 0 | 111.2 | E376 A397 V401 E402 M403 | E376-S399 PolarHBondContact OE2-OG 3.47Å; E376-S399 VanDerWaalsContact OE2-OG 3.04Å; A397-S399 PolarHBondContact O-N 3.03Å; S399-V401 PolarHBondContact O-N 3.49Å; S399-V401 PolarHBondContact OG-N 2.84Å; S399-E402 PolarHBondContact N-OE2 3.33Å; S399-E402 PolarHBondContact O-N 3.25Å; S399-E402 PolarHBondContact OG-N 2.89Å; S399-M403 PolarHBondContact O-N 3.26Å |
| 400 | F | 87.1 | Confident | 83.8 | Confident | 151 Ų | 151 | 47.8 Ų | 47.8 | 66% | 0.662 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -59.5 | -38.3 | 173.4 | 177.4 | -103.3 | 0 | 0 | 0 | 111.8 | M403 L404 | F400-M403 PolarHBondContact O-N 3.48Å; F400-L404 HydrophobicContact CD1-CD1 4.34Å; F400-L404 HydrophobicContact CE1-CD1 3.84Å; F400-L404 HydrophobicContact CE1-CG 4.47Å; F400-L404 HydrophobicContact CZ-CD1 4.27Å; F400-L404 WeakPolarHBondContact O-CG 3.45Å; F400-L404 PolarHBondContact O-N 3.21Å |
| 401 | V | 88.9 | Confident | 85.2 | Confident | 5 Ų | 5 | 43.5 Ų | 43.5 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.6 | -41.4 | 176.3 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | L369 F372 A373 E376 S399 M403 L404 I405 | L369-V401 HydrophobicContact CD2-CG1 4.32Å; F372-V401 HydrophobicContact CD1-CG1 4.15Å; F372-V401 HydrophobicContact CD1-CG2 3.68Å; F372-V401 HydrophobicContact CE1-CG2 3.73Å; A373-V401 HydrophobicContact CB-CG1 3.93Å; E376-V401 VanDerWaalsContact OE2-CG2 3.24Å; E376-V401 WeakPolarHBondContact OE2-CG2 3.49Å; S399-V401 PolarHBondContact O-N 3.49Å; S399-V401 PolarHBondContact OG-N 2.84Å; V401-M403 VanDerWaalsContact C-N 3.32Å; V401-M403 PolarHBondContact O-N 2.61Å; V401-L404 WeakPolarHBondContact O-CB 3.32Å; V401-L404 PolarHBondContact O-N 2.77Å; V401-L404 VanDerWaalsContact O-N 3.16Å; V401-I405 HydrophobicContact CG1-CD1 3.99Å; V401-I405 VanDerWaalsContact O-CG1 3.31Å; V401-I405 WeakPolarHBondContact O-CG1 3.38Å; V401-I405 PolarHBondContact O-N 2.82Å |
| 402 | E | 87.4 | Confident | 86.2 | Confident | 24 Ų | 24 | 41.2 Ų | 41.2 | 11% | 0.112 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.1 | -39 | 174.8 | -63 | -179.9 | 151.4 | 0 | 0 | 112.2 | L398 S399 L404 I405 V406 R451 | L398-E402 VanDerWaalsContact CA-OE2 3.29Å; L398-E402 WeakPolarHBondContact CA-OE2 3.34Å; L398-E402 HydrophobicContact CB-CB 4.37Å; S399-E402 PolarHBondContact N-OE2 3.33Å; S399-E402 PolarHBondContact O-N 3.25Å; S399-E402 PolarHBondContact OG-N 2.89Å; E402-L404 VanDerWaalsContact C-N 3.32Å; E402-L404 PolarHBondContact O-N 3.42Å; E402-I405 PolarHBondContact O-N 3.18Å; E402-V406 WeakPolarHBondContact O-CG2 3.3Å; E402-V406 PolarHBondContact O-N 3.32Å; E402-R451 IonicContact OE1-CZ 3.66Å; E402-R451 IonicContact OE1-NH1 3.38Å; E402-R451 PolarHBondContact OE1-NH1 3.43Å; E402-R451 IonicContact OE1-NH2 3.27Å; E402-R451 IonicContact OE2-NH1 2.73Å |
| 403 | M | 89.1 | Confident | 87.4 | Confident | 103 Ų | 103 | 41.7 Ų | 41.7 | 51% | 0.507 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.3 | -39.9 | 174.1 | -169.6 | -175.6 | -61.9 | 0 | 0 | 111.8 | S399 F400 V401 V406 I407 | S399-M403 PolarHBondContact O-N 3.26Å; F400-M403 PolarHBondContact O-N 3.48Å; V401-M403 VanDerWaalsContact C-N 3.32Å; V401-M403 PolarHBondContact O-N 2.61Å; M403-V406 PolarHBondContact O-N 3.09Å; M403-I407 HydrophobicContact CG-CD1 4.44Å; M403-I407 WeakPolarHBondContact O-CD1 3.21Å; M403-I407 VanDerWaalsContact O-CG1 3.29Å; M403-I407 WeakPolarHBondContact O-CG1 3.18Å; M403-I407 PolarHBondContact O-N 2.8Å; M403-I407 VanDerWaalsContact O-N 3.1Å |
| 404 | L | 92.3 | Very high | 88.1 | Confident | 49 Ų | 49 | 44.1 Ų | 44.1 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 172.5 | -65.5 | 175.1 | 0 | 0 | 0 | 111.4 | L369 F400 V401 E402 V406 I407 W408 | L369-L404 HydrophobicContact CD1-CB 4.27Å; L369-L404 HydrophobicContact CD2-CD1 4.22Å; F400-L404 HydrophobicContact CD1-CD1 4.34Å; F400-L404 HydrophobicContact CE1-CD1 3.84Å; F400-L404 HydrophobicContact CE1-CG 4.47Å; F400-L404 HydrophobicContact CZ-CD1 4.27Å; F400-L404 WeakPolarHBondContact O-CG 3.45Å; F400-L404 PolarHBondContact O-N 3.21Å; V401-L404 WeakPolarHBondContact O-CB 3.32Å; V401-L404 PolarHBondContact O-N 2.77Å; V401-L404 VanDerWaalsContact O-N 3.16Å; E402-L404 VanDerWaalsContact C-N 3.32Å; E402-L404 PolarHBondContact O-N 3.42Å; L404-V406 VanDerWaalsContact C-N 3.31Å; L404-V406 PolarHBondContact O-N 3.21Å; L404-I407 PolarHBondContact O-N 3.27Å; L404-I407 VanDerWaalsContact O-N 3.14Å; L404-W408 HydrophobicContact CB-CE3 4.44Å; L404-W408 HydrophobicContact CB-CZ3 4.39Å; L404-W408 PolarHBondContact O-N 3.33Å |
| 405 | I | 92.7 | Very high | 88.8 | Confident | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.8 | -43.3 | 177.5 | -66.1 | 162 | 0 | 0 | 0 | 110.6 | F366 L369 L370 A373 V401 E402 W408 V409 F448 | F366-I405 HydrophobicContact CE2-CG2 3.97Å; L369-I405 HydrophobicContact CB-CG1 4.2Å; L370-I405 HydrophobicContact CD2-CD1 3.99Å; L370-I405 HydrophobicContact CD2-CG1 4.29Å; L370-I405 HydrophobicContact CD2-CG2 3.97Å; A373-I405 HydrophobicContact CB-CD1 3.99Å; V401-I405 HydrophobicContact CG1-CD1 3.99Å; V401-I405 VanDerWaalsContact O-CG1 3.31Å; V401-I405 WeakPolarHBondContact O-CG1 3.38Å; V401-I405 PolarHBondContact O-N 2.82Å; E402-I405 PolarHBondContact O-N 3.18Å; I405-W408 PolarHBondContact O-N 3.03Å; I405-V409 WeakPolarHBondContact O-CG2 3.03Å; I405-V409 PolarHBondContact O-N 3.42Å; I405-F448 HydrophobicContact CG2-CZ 4.08Å |
| 406 | V | 92.5 | Very high | 89.4 | Confident | 29 Ų | 29 | 45 Ų | 45 | 18% | 0.176 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.9 | -46.8 | 174.6 | 168 | 0 | 0 | 0 | 0 | 111.6 | L398 E402 M403 L404 W408 V409 I410 F448 | L398-V406 HydrophobicContact CD2-CG2 4.03Å; E402-V406 WeakPolarHBondContact O-CG2 3.3Å; E402-V406 PolarHBondContact O-N 3.32Å; M403-V406 PolarHBondContact O-N 3.09Å; L404-V406 VanDerWaalsContact C-N 3.31Å; L404-V406 PolarHBondContact O-N 3.21Å; V406-W408 VanDerWaalsContact C-N 3.3Å; V406-W408 PolarHBondContact O-N 2.84Å; V406-V409 PolarHBondContact O-N 3.02Å; V406-I410 HydrophobicContact CG1-CD1 3.7Å; V406-I410 HydrophobicContact CG1-CG1 4.4Å; V406-I410 WeakPolarHBondContact O-CB 3.31Å; V406-I410 VanDerWaalsContact O-CG1 3.3Å; V406-I410 WeakPolarHBondContact O-CG1 3.4Å; V406-I410 PolarHBondContact O-N 3.02Å; V406-F448 HydrophobicContact CG2-CD1 3.61Å; V406-F448 HydrophobicContact CG2-CD2 4.04Å; V406-F448 HydrophobicContact CG2-CE1 3.47Å; V406-F448 VanDerWaalsContact CG2-CE1 3.47Å; V406-F448 HydrophobicContact CG2-CE2 3.9Å; V406-F448 HydrophobicContact CG2-CG 3.92Å; V406-F448 HydrophobicContact CG2-CZ 3.63Å |
| 407 | I | 92.6 | Very high | 90 | Very high | 68 Ų | 68 | 46.9 Ų | 46.9 | 35% | 0.349 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.4 | -40 | 177.3 | -66.3 | 163.2 | 0 | 0 | 0 | 110.8 | M403 L404 G411 P661 I664 | M403-I407 HydrophobicContact CG-CD1 4.44Å; M403-I407 WeakPolarHBondContact O-CD1 3.21Å; M403-I407 VanDerWaalsContact O-CG1 3.29Å; M403-I407 WeakPolarHBondContact O-CG1 3.18Å; M403-I407 PolarHBondContact O-N 2.8Å; M403-I407 VanDerWaalsContact O-N 3.1Å; L404-I407 PolarHBondContact O-N 3.27Å; L404-I407 VanDerWaalsContact O-N 3.14Å; I407-G411 PolarHBondContact O-N 3.3Å; I407-P661 HydrophobicContact CG2-CB 3.71Å; I407-I664 HydrophobicContact CG2-CD1 4.17Å |
| 408 | W | 94.5 | Very high | 90.4 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 11% | 0.114 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.7 | -45.1 | 174.9 | -108.7 | -86.2 | 0 | 0 | 0 | 112.6 | W330 S362 C365 F366 L369 L404 I405 V406 G411 M412 P661 | W330-W408 HydrophobicContact CH2-CZ2 4.38Å; W330-W408 HydrophobicContact CZ2-CZ2 4.28Å; S362-W408 PolarHBondContact O-NE1 2.92Å; S362-W408 PolarHBondContact OG-NE1 2.74Å; C365-W408 HydrophobicContact CB-CZ2 4.1Å; F366-W408 HydrophobicContact CB-CG 4.31Å; F366-W408 HydrophobicContact CD2-CB 3.69Å; F366-W408 HydrophobicContact CD2-CG 4.02Å; F366-W408 HydrophobicContact CE2-CB 4.23Å; L369-W408 HydrophobicContact CD1-CD2 4.29Å; L369-W408 HydrophobicContact CD1-CE3 3.68Å; L369-W408 HydrophobicContact CD1-CH2 3.86Å; L369-W408 HydrophobicContact CD1-CZ2 4.44Å; L369-W408 HydrophobicContact CD1-CZ3 3.45Å; L369-W408 VanDerWaalsContact CD1-CZ3 3.45Å; L404-W408 HydrophobicContact CB-CE3 4.44Å; L404-W408 HydrophobicContact CB-CZ3 4.39Å; L404-W408 PolarHBondContact O-N 3.33Å; I405-W408 PolarHBondContact O-N 3.03Å; V406-W408 VanDerWaalsContact C-N 3.3Å; V406-W408 PolarHBondContact O-N 2.84Å; W408-G411 CarbonylContact O-C 3.42Å; W408-G411 WeakPolarHBondContact O-CA 3.45Å; W408-G411 PolarHBondContact O-N 2.95Å; W408-M412 WeakPolarHBondContact O-CG 3.45Å; W408-M412 PolarHBondContact O-N 3.37Å; W408-P661 HydrophobicContact CE3-CG 4.5Å; W408-P661 HydrophobicContact CH2-CG 4.34Å; W408-P661 HydrophobicContact CZ2-CG 4.35Å; W408-P661 HydrophobicContact CZ3-CG 4.4Å |
| 409 | V | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.8 | -41.5 | 178.7 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | F366 I405 V406 G411 M412 A413 L441 Y444 L445 F448 | F366-V409 HydrophobicContact CE2-CG2 3.92Å; F366-V409 HydrophobicContact CZ-CG2 4.14Å; I405-V409 WeakPolarHBondContact O-CG2 3.03Å; I405-V409 PolarHBondContact O-N 3.42Å; V406-V409 PolarHBondContact O-N 3.02Å; V409-G411 VanDerWaalsContact C-N 3.28Å; V409-G411 PolarHBondContact O-N 3.25Å; V409-M412 HydrophobicContact CG2-CE 4.04Å; V409-M412 PolarHBondContact O-N 3.1Å; V409-A413 WeakPolarHBondContact O-CB 3.48Å; V409-A413 PolarHBondContact O-N 3.17Å; V409-L441 HydrophobicContact CG1-CD2 4.09Å; V409-Y444 HydrophobicContact CG2-CD2 4.12Å; V409-Y444 HydrophobicContact CG2-CG 4.05Å; V409-L445 HydrophobicContact CG1-CD2 4.36Å; V409-L445 HydrophobicContact CG1-CG 4.49Å; V409-F448 HydrophobicContact CB-CE2 3.91Å; V409-F448 HydrophobicContact CG1-CE2 3.98Å; V409-F448 HydrophobicContact CG2-CE2 3.97Å; V409-F448 HydrophobicContact CG2-CZ 4.41Å |
| 410 | I | 93.5 | Very high | 91 | Very high | 85 Ų | 85 | 47.6 Ų | 47.6 | 44% | 0.436 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.7 | -42.4 | 172.3 | -68.5 | 168.3 | 0 | 0 | 0 | 110.1 | V406 W414 I664 | V406-I410 HydrophobicContact CG1-CD1 3.7Å; V406-I410 HydrophobicContact CG1-CG1 4.4Å; V406-I410 WeakPolarHBondContact O-CB 3.31Å; V406-I410 VanDerWaalsContact O-CG1 3.3Å; V406-I410 WeakPolarHBondContact O-CG1 3.4Å; V406-I410 PolarHBondContact O-N 3.02Å; I410-W414 VanDerWaalsContact O-CB 3.27Å; I410-W414 WeakPolarHBondContact O-CB 3.36Å; I410-W414 PolarHBondContact O-N 3.14Å; I410-I664 HydrophobicContact CB-CD1 4.36Å; I410-I664 HydrophobicContact CG2-CD1 3.93Å |
| 411 | G | 92.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.8 | -46.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | I407 W408 V409 W414 S415 N663 | I407-G411 PolarHBondContact O-N 3.3Å; W408-G411 CarbonylContact O-C 3.42Å; W408-G411 WeakPolarHBondContact O-CA 3.45Å; W408-G411 PolarHBondContact O-N 2.95Å; V409-G411 VanDerWaalsContact C-N 3.28Å; V409-G411 PolarHBondContact O-N 3.25Å; G411-W414 PolarHBondContact O-N 3.36Å; G411-S415 PolarHBondContact O-N 3.4Å; G411-S415 VanDerWaalsContact O-N 3.12Å; G411-S415 PolarHBondContact O-OG 3.47Å; G411-S415 VanDerWaalsContact O-OG 3.11Å; G411-N663 VanDerWaalsContact CA-OD1 3.29Å; G411-N663 WeakPolarHBondContact CA-OD1 3.3Å; G411-N663 PolarHBondContact O-ND2 3.44Å; G411-N663 PolarHBondContact O-OD1 3.25Å |
| 412 | M | 93 | Very high | 90.8 | Very high | 20 Ų | 20 | 55.9 Ų | 55.9 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.5 | -46.6 | 179.9 | -70.9 | -172.9 | -64.3 | 0 | 0 | 112.1 | F363 F366 W408 V409 W414 S415 E416 L441 A660 | F363-M412 HydrophobicContact CD2-SD 4.15Å; F363-M412 HydrophobicContact CE2-SD 4.24Å; F366-M412 HydrophobicContact CD1-CE 4.02Å; F366-M412 HydrophobicContact CD2-CE 3.92Å; F366-M412 HydrophobicContact CE1-CE 3.78Å; F366-M412 HydrophobicContact CE2-CE 3.67Å; F366-M412 HydrophobicContact CG-CE 4.08Å; F366-M412 HydrophobicContact CZ-CE 3.61Å; W408-M412 WeakPolarHBondContact O-CG 3.45Å; W408-M412 PolarHBondContact O-N 3.37Å; V409-M412 HydrophobicContact CG2-CE 4.04Å; V409-M412 PolarHBondContact O-N 3.1Å; M412-W414 PolarHBondContact O-N 3.25Å; M412-S415 WeakPolarHBondContact CA-OG 3.48Å; M412-S415 WeakPolarHBondContact O-CA 3.26Å; M412-S415 WeakPolarHBondContact O-CB 3.32Å; M412-S415 PolarHBondContact O-N 3.17Å; M412-S415 PolarHBondContact O-OG 3.37Å; M412-E416 PolarHBondContact O-N 3.05Å; M412-E416 VanDerWaalsContact O-N 3.09Å; M412-L441 HydrophobicContact CB-CD1 4.47Å; M412-L441 HydrophobicContact CB-CD2 3.79Å; M412-L441 HydrophobicContact CE-CD2 4.35Å; M412-A660 HydrophobicContact CG-CB 4.15Å |
| 413 | A | 93.1 | Very high | 90.5 | Very high | 21 Ų | 21 | 58.1 Ų | 58.1 | 17% | 0.174 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.7 | -37.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V409 S415 E416 V417 | V409-A413 WeakPolarHBondContact O-CB 3.48Å; V409-A413 PolarHBondContact O-N 3.17Å; A413-S415 VanDerWaalsContact C-N 3.29Å; A413-S415 PolarHBondContact O-N 3.47Å; A413-E416 PolarHBondContact O-N 3.47Å; A413-V417 WeakPolarHBondContact O-CG2 3Å; A413-V417 PolarHBondContact O-N 2.94Å |
| 414 | W | 91.1 | Very high | 90.4 | Very high | 126 Ų | 126 | 54.7 Ų | 54.7 | 48% | 0.477 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -72.8 | -16 | 175.1 | -170.4 | -138.9 | 0 | 0 | 0 | 114.1 | I410 G411 M412 V417 K418 | I410-W414 VanDerWaalsContact O-CB 3.27Å; I410-W414 WeakPolarHBondContact O-CB 3.36Å; I410-W414 PolarHBondContact O-N 3.14Å; G411-W414 PolarHBondContact O-N 3.36Å; M412-W414 PolarHBondContact O-N 3.25Å; W414-V417 HydrophobicContact CE3-CB 4.35Å; W414-V417 HydrophobicContact CE3-CG1 4.2Å; W414-V417 HydrophobicContact CZ3-CG1 4.08Å; W414-K418 VanDerWaalsContact CE2-CE 3.46Å; W414-K418 WeakPolarHBondContact O-CD 3.48Å; W414-K418 WeakPolarHBondContact O-CE 3.23Å; W414-K418 VanDerWaalsContact O-CG 3.22Å; W414-K418 WeakPolarHBondContact O-CG 3.36Å; W414-K418 PolarHBondContact O-NZ 3.23Å |
| 415 | S | 89.3 | Confident | 90.3 | Very high | 27 Ų | 27 | 59.1 Ų | 59.1 | 19% | 0.189 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -77.7 | -47.5 | 164.3 | 4.4 | 0 | 0 | 0 | 0 | 111.4 | G411 M412 A413 V417 K418 Q419 | G411-S415 PolarHBondContact O-N 3.4Å; G411-S415 VanDerWaalsContact O-N 3.12Å; G411-S415 PolarHBondContact O-OG 3.47Å; G411-S415 VanDerWaalsContact O-OG 3.11Å; M412-S415 WeakPolarHBondContact CA-OG 3.48Å; M412-S415 WeakPolarHBondContact O-CA 3.26Å; M412-S415 WeakPolarHBondContact O-CB 3.32Å; M412-S415 PolarHBondContact O-N 3.17Å; M412-S415 PolarHBondContact O-OG 3.37Å; A413-S415 VanDerWaalsContact C-N 3.29Å; A413-S415 PolarHBondContact O-N 3.47Å; S415-V417 PolarHBondContact O-N 3.44Å; S415-K418 CarbonylContact O-C 3.58Å; S415-K418 WeakPolarHBondContact O-CA 3.49Å; S415-K418 WeakPolarHBondContact O-CB 3.32Å; S415-K418 PolarHBondContact O-N 3.35Å; S415-Q419 PolarHBondContact O-N 2.8Å |
| 416 | E | 90.5 | Very high | 90.2 | Very high | 19 Ų | 19 | 65.3 Ų | 65.3 | 9% | 0.089 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.2 | -41.9 | -178.3 | -59.1 | -41.3 | 125.8 | 0 | 0 | 112 | M412 A413 K418 Q419 I420 L441 | M412-E416 PolarHBondContact O-N 3.05Å; M412-E416 VanDerWaalsContact O-N 3.09Å; A413-E416 PolarHBondContact O-N 3.47Å; E416-K418 PolarHBondContact O-N 2.79Å; E416-Q419 PolarHBondContact O-N 3.22Å; E416-I420 VanDerWaalsContact O-CG1 3.3Å; E416-I420 WeakPolarHBondContact O-CG1 3.37Å; E416-I420 PolarHBondContact O-N 2.93Å; E416-L441 HydrophobicContact CB-CD1 4.45Å; E416-L441 HydrophobicContact CG-CD1 3.52Å |
| 417 | V | 91.1 | Very high | 89.9 | Confident | 81 Ų | 81 | 70.5 Ų | 70.5 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58 | -37.1 | 172.7 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | A413 W414 S415 W421 | A413-V417 WeakPolarHBondContact O-CG2 3Å; A413-V417 PolarHBondContact O-N 2.94Å; W414-V417 HydrophobicContact CE3-CB 4.35Å; W414-V417 HydrophobicContact CE3-CG1 4.2Å; W414-V417 HydrophobicContact CZ3-CG1 4.08Å; S415-V417 PolarHBondContact O-N 3.44Å; V417-W421 WeakPolarHBondContact O-CB 3.31Å; V417-W421 PolarHBondContact O-N 3.21Å |
| 418 | K | 87.5 | Confident | 89.7 | Confident | 49 Ų | 49 | 67.8 Ų | 67.8 | 21% | 0.213 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -71.9 | -35.9 | 174.5 | -71.5 | 167.3 | -167.9 | 146.2 | 0 | 112.4 | W414 S415 E416 W421 Q422 N663 | W414-K418 VanDerWaalsContact CE2-CE 3.46Å; W414-K418 WeakPolarHBondContact O-CD 3.48Å; W414-K418 WeakPolarHBondContact O-CE 3.23Å; W414-K418 VanDerWaalsContact O-CG 3.22Å; W414-K418 WeakPolarHBondContact O-CG 3.36Å; W414-K418 PolarHBondContact O-NZ 3.23Å; S415-K418 CarbonylContact O-C 3.58Å; S415-K418 WeakPolarHBondContact O-CA 3.49Å; S415-K418 WeakPolarHBondContact O-CB 3.32Å; S415-K418 PolarHBondContact O-N 3.35Å; E416-K418 PolarHBondContact O-N 2.79Å; K418-W421 PolarHBondContact O-N 3.26Å; K418-Q422 WeakPolarHBondContact O-CB 3.22Å; K418-Q422 VanDerWaalsContact O-CG 3.3Å; K418-Q422 WeakPolarHBondContact O-CG 3.46Å; K418-Q422 PolarHBondContact O-N 2.74Å; K418-Q422 VanDerWaalsContact O-N 3.09Å; K418-Q422 PolarHBondContact O-NE2 2.9Å; K418-N663 PolarHBondContact NZ-O 2.92Å |
| 419 | Q | 87.4 | Confident | 89.4 | Confident | 56 Ų | 56 | 68.4 Ų | 68.4 | 26% | 0.262 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.7 | -48.6 | 177.4 | -177.5 | 169.2 | -27.6 | 0 | 0 | 110.7 | S415 E416 W421 Q422 E423 Y428 N434 | S415-Q419 PolarHBondContact O-N 2.8Å; E416-Q419 PolarHBondContact O-N 3.22Å; Q419-W421 PolarHBondContact O-N 3.08Å; Q419-Q422 PolarHBondContact O-N 2.91Å; Q419-E423 HydrophobicContact CG-CG 3.97Å; Q419-E423 WeakPolarHBondContact CG-OE2 3.45Å; Q419-E423 PolarHBondContact NE2-OE2 3.03Å; Q419-E423 PolarHBondContact O-N 3.22Å; Q419-Y428 HydrophobicContact CG-CD2 4.28Å; Q419-N434 PolarHBondContact NE2-ND2 3.03Å; Q419-N434 VanDerWaalsContact NE2-ND2 3.17Å |
| 420 | I | 90.6 | Very high | 89 | Confident | 54 Ų | 54 | 74.3 Ų | 74.3 | 28% | 0.277 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -53.5 | -40.8 | 174.3 | -66.4 | 164 | 0 | 0 | 0 | 111 | E416 G424 Y428 | E416-I420 VanDerWaalsContact O-CG1 3.3Å; E416-I420 WeakPolarHBondContact O-CG1 3.37Å; E416-I420 PolarHBondContact O-N 2.93Å; I420-G424 VanDerWaalsContact O-CA 3.24Å; I420-G424 WeakPolarHBondContact O-CA 3.43Å; I420-G424 PolarHBondContact O-N 2.8Å; I420-Y428 HydrophobicContact CD1-CD1 4.48Å; I420-Y428 HydrophobicContact CD1-CD2 4.36Å; I420-Y428 HydrophobicContact CD1-CE1 4.26Å; I420-Y428 HydrophobicContact CD1-CE2 4.11Å; I420-Y428 HydrophobicContact CG1-CD1 4.05Å; I420-Y428 HydrophobicContact CG1-CD2 3.42Å; I420-Y428 VanDerWaalsContact CG1-CD2 3.42Å; I420-Y428 HydrophobicContact CG1-CE1 4.22Å; I420-Y428 HydrophobicContact CG1-CE2 3.6Å; I420-Y428 HydrophobicContact CG1-CG 3.67Å |
| 421 | W | 88.4 | Confident | 88.6 | Confident | 219 Ų | 219 | 71.8 Ų | 71.8 | 83% | 0.83 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -74.5 | -24.9 | 179.4 | -162.1 | 62.6 | 0 | 0 | 0 | 114.5 | V417 K418 Q419 | V417-W421 WeakPolarHBondContact O-CB 3.31Å; V417-W421 PolarHBondContact O-N 3.21Å; K418-W421 PolarHBondContact O-N 3.26Å; Q419-W421 PolarHBondContact O-N 3.08Å |
| 422 | Q | 82.7 | Confident | 88.4 | Confident | 111 Ų | 111 | 81 Ų | 81 | 52% | 0.519 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -91.3 | -43 | 178.9 | -73.9 | 171.9 | 49.7 | 0 | 0 | 112.8 | K418 Q419 | K418-Q422 WeakPolarHBondContact O-CB 3.22Å; K418-Q422 VanDerWaalsContact O-CG 3.3Å; K418-Q422 WeakPolarHBondContact O-CG 3.46Å; K418-Q422 PolarHBondContact O-N 2.74Å; K418-Q422 VanDerWaalsContact O-N 3.09Å; K418-Q422 PolarHBondContact O-NE2 2.9Å; Q419-Q422 PolarHBondContact O-N 2.91Å |
| 423 | E | 81.5 | Confident | 88.2 | Confident | 71 Ų | 71 | 82.7 Ų | 82.7 | 33% | 0.332 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -83.2 | -31.2 | -179.4 | -60.6 | -167.9 | 129.9 | 0 | 0 | 112.3 | Q419 K427 | Q419-E423 HydrophobicContact CG-CG 3.97Å; Q419-E423 WeakPolarHBondContact CG-OE2 3.45Å; Q419-E423 PolarHBondContact NE2-OE2 3.03Å; Q419-E423 PolarHBondContact O-N 3.22Å; E423-K427 HydrophobicContact CB-CB 4.3Å; E423-K427 WeakPolarHBondContact O-CD 3.01Å; E423-K427 WeakPolarHBondContact O-CG 3.2Å; E423-K427 PolarHBondContact O-NZ 2.76Å |
| 424 | G | 88.2 | Confident | 88.2 | Confident | 32 Ų | 32 | 81.8 Ų | 81.8 | 33% | 0.33 | 38% | 0.381 | S | S | . | . | trans | 86 | 136.8 | -171 | 0 | 0 | 0 | 0 | 0 | 112.2 | I420 I426 K427 Y428 | I420-G424 VanDerWaalsContact O-CA 3.24Å; I420-G424 WeakPolarHBondContact O-CA 3.43Å; I420-G424 PolarHBondContact O-N 2.8Å; G424-I426 VanDerWaalsContact C-N 3.32Å; G424-I426 PolarHBondContact O-N 3.35Å; G424-I426 VanDerWaalsContact O-N 3.11Å; G424-K427 PolarHBondContact O-N 3.27Å; G424-Y428 PolarHBondContact O-N 2.89Å | ||
| 425 | F | 90 | Very high | 88.2 | Confident | 142 Ų | 142 | 81.7 Ų | 81.7 | 62% | 0.623 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -44.9 | -46.6 | -171.8 | -177.6 | -104.4 | 0 | 0 | 0 | 115.1 | K427 Y428 V429 | F425-K427 VanDerWaalsContact C-N 3.3Å; F425-K427 PolarHBondContact O-N 3.04Å; F425-Y428 WeakPolarHBondContact O-CB 3.32Å; F425-Y428 PolarHBondContact O-N 2.72Å; F425-V429 HydrophobicContact CD1-CG2 4.27Å; F425-V429 HydrophobicContact CD2-CG2 4.22Å; F425-V429 HydrophobicContact CE1-CG2 3.9Å; F425-V429 HydrophobicContact CE2-CG2 3.85Å; F425-V429 HydrophobicContact CG-CG2 4.42Å; F425-V429 HydrophobicContact CZ-CG2 3.69Å; F425-V429 WeakPolarHBondContact O-CG2 3.23Å; F425-V429 PolarHBondContact O-N 2.99Å |
| 426 | I | 90.6 | Very high | 88.3 | Confident | 131 Ų | 131 | 81.9 Ų | 81.9 | 67% | 0.672 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.9 | -37.2 | -178.9 | -59.7 | 171 | 0 | 0 | 0 | 111.9 | G424 N430 | G424-I426 VanDerWaalsContact C-N 3.32Å; G424-I426 PolarHBondContact O-N 3.35Å; G424-I426 VanDerWaalsContact O-N 3.11Å; I426-N430 VanDerWaalsContact O-CG 3.26Å; I426-N430 PolarHBondContact O-N 3.26Å; I426-N430 PolarHBondContact O-OD1 3.36Å |
| 427 | K | 85.2 | Confident | 88.4 | Confident | 138 Ų | 138 | 81.1 Ų | 81.1 | 60% | 0.6 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -72.2 | -39.8 | 177.8 | -57.3 | -158.6 | -160.3 | 97.9 | 0 | 111.7 | E423 G424 F425 N430 | E423-K427 HydrophobicContact CB-CB 4.3Å; E423-K427 WeakPolarHBondContact O-CD 3.01Å; E423-K427 WeakPolarHBondContact O-CG 3.2Å; E423-K427 PolarHBondContact O-NZ 2.76Å; G424-K427 PolarHBondContact O-N 3.27Å; F425-K427 VanDerWaalsContact C-N 3.3Å; F425-K427 PolarHBondContact O-N 3.04Å; K427-N430 PolarHBondContact O-N 3.31Å |
| 428 | Y | 88 | Confident | 88.6 | Confident | 12 Ų | 12 | 82.5 Ų | 82.5 | 5% | 0.047 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 178.4 | -179.8 | -81.7 | 0 | 0 | 0 | 111.1 | Q419 I420 G424 F425 N430 Q431 N434 | Q419-Y428 HydrophobicContact CG-CD2 4.28Å; I420-Y428 HydrophobicContact CD1-CD1 4.48Å; I420-Y428 HydrophobicContact CD1-CD2 4.36Å; I420-Y428 HydrophobicContact CD1-CE1 4.26Å; I420-Y428 HydrophobicContact CD1-CE2 4.11Å; I420-Y428 HydrophobicContact CG1-CD1 4.05Å; I420-Y428 HydrophobicContact CG1-CD2 3.42Å; I420-Y428 VanDerWaalsContact CG1-CD2 3.42Å; I420-Y428 HydrophobicContact CG1-CE1 4.22Å; I420-Y428 HydrophobicContact CG1-CE2 3.6Å; I420-Y428 HydrophobicContact CG1-CG 3.67Å; G424-Y428 PolarHBondContact O-N 2.89Å; F425-Y428 WeakPolarHBondContact O-CB 3.32Å; F425-Y428 PolarHBondContact O-N 2.72Å; Y428-N430 VanDerWaalsContact C-N 3.28Å; Y428-N430 PolarHBondContact O-N 3.23Å; Y428-Q431 PolarHBondContact O-N 2.91Å; Y428-N434 HydrophobicContact CD1-CB 4.11Å; Y428-N434 HydrophobicContact CD2-CB 4.14Å; Y428-N434 WeakPolarHBondContact CD2-ND2 3.39Å; Y428-N434 HydrophobicContact CE1-CB 3.8Å; Y428-N434 HydrophobicContact CE2-CB 3.85Å; Y428-N434 WeakPolarHBondContact CE2-ND2 3.47Å; Y428-N434 HydrophobicContact CG-CB 4.26Å; Y428-N434 WeakPolarHBondContact O-CB 3.33Å; Y428-N434 PolarHBondContact OH-O 3.18Å; Y428-N434 VanDerWaalsContact OH-O 3.13Å |
| 429 | V | 89.3 | Confident | 88.9 | Confident | 43 Ų | 43 | 83.1 Ų | 83.1 | 26% | 0.261 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.8 | -29.5 | 179.9 | 170.7 | 0 | 0 | 0 | 0 | 112.8 | F425 Q431 W435 | F425-V429 HydrophobicContact CD1-CG2 4.27Å; F425-V429 HydrophobicContact CD2-CG2 4.22Å; F425-V429 HydrophobicContact CE1-CG2 3.9Å; F425-V429 HydrophobicContact CE2-CG2 3.85Å; F425-V429 HydrophobicContact CG-CG2 4.42Å; F425-V429 HydrophobicContact CZ-CG2 3.69Å; F425-V429 WeakPolarHBondContact O-CG2 3.23Å; F425-V429 PolarHBondContact O-N 2.99Å; V429-Q431 PolarHBondContact O-N 3.41Å; V429-W435 HydrophobicContact CG1-CZ2 3.92Å; V429-W435 PolarHBondContact O-NE1 2.92Å |
| 430 | N | 85.4 | Confident | 89.3 | Confident | 123 Ų | 123 | 80.6 Ų | 80.6 | 66% | 0.658 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | 0.1 | 177.7 | -72.7 | 7.5 | 0 | 0 | 0 | 114.1 | I426 K427 Y428 | I426-N430 VanDerWaalsContact O-CG 3.26Å; I426-N430 PolarHBondContact O-N 3.26Å; I426-N430 PolarHBondContact O-OD1 3.36Å; K427-N430 PolarHBondContact O-N 3.31Å; Y428-N430 VanDerWaalsContact C-N 3.28Å; Y428-N430 PolarHBondContact O-N 3.23Å |
| 431 | Q | 86.5 | Confident | 89.5 | Confident | 33 Ų | 33 | 78.6 Ų | 78.6 | 15% | 0.154 | 36% | 0.358 | C | S | . | . | trans | -110.5 | 109.5 | 179.1 | -174.7 | 155.5 | -82.9 | 0 | 0 | 111.3 | Y428 V429 W433 N434 W435 K646 | Y428-Q431 PolarHBondContact O-N 2.91Å; V429-Q431 PolarHBondContact O-N 3.41Å; Q431-W433 HydrophobicContact CG-CB 4.36Å; Q431-W433 PolarHBondContact O-N 2.71Å; Q431-W433 VanDerWaalsContact O-N 3.1Å; Q431-N434 HydrophobicContact CB-CB 4.34Å; Q431-N434 WeakPolarHBondContact CG-OD1 3.47Å; Q431-N434 PolarHBondContact NE2-OD1 2.72Å; Q431-N434 WeakPolarHBondContact O-CB 3.09Å; Q431-N434 PolarHBondContact O-N 2.75Å; Q431-W435 PolarHBondContact O-N 2.89Å; Q431-K646 VanDerWaalsContact OE1-CE 3.23Å | ||
| 432 | Y | 87.2 | Confident | 89.8 | Confident | 194 Ų | 194 | 70.2 Ų | 70.2 | 76% | 0.761 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -52.7 | -34.7 | -178 | -59.2 | -72.7 | 0 | 0 | 0 | 114.5 | N434 W435 L436 | Y432-N434 VanDerWaalsContact C-N 3.29Å; Y432-N434 PolarHBondContact O-N 2.71Å; Y432-W435 WeakPolarHBondContact O-CB 3.1Å; Y432-W435 PolarHBondContact O-N 3Å; Y432-L436 PolarHBondContact O-N 3.32Å |
| 433 | W | 90 | Very high | 90.5 | Very high | 54 Ų | 54 | 66.2 Ų | 66.2 | 21% | 0.205 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.1 | -32.8 | 176.2 | -71.2 | 109.8 | 0 | 0 | 0 | 113.4 | Q431 W435 L436 D437 R496 I498 Y499 | Q431-W433 HydrophobicContact CG-CB 4.36Å; Q431-W433 PolarHBondContact O-N 2.71Å; Q431-W433 VanDerWaalsContact O-N 3.1Å; W433-W435 VanDerWaalsContact C-N 3.32Å; W433-L436 HydrophobicContact CE3-CD1 4.33Å; W433-L436 HydrophobicContact CZ3-CD1 4.12Å; W433-L436 WeakPolarHBondContact O-CB 3.33Å; W433-L436 PolarHBondContact O-N 2.98Å; W433-D437 PolarHBondContact O-N 3.22Å; W433-D437 VanDerWaalsContact O-OD2 3.07Å; W433-R496 PolarHBondContact O-NH1 3.41Å; W433-I498 HydrophobicContact CH2-CB 4Å; W433-I498 HydrophobicContact CH2-CG2 3.9Å; W433-Y499 HydrophobicContact CB-CD2 4.22Å; W433-Y499 HydrophobicContact CB-CE2 4.17Å; W433-Y499 AromaticContact CD1-CD2 3.71Å; W433-Y499 AromaticContact CD1-CE2 3.75Å; W433-Y499 AromaticContact CD2-CD2 3.55Å; W433-Y499 HydrophobicContact CD2-CD2 3.55Å; W433-Y499 HydrophobicContact CD2-CE2 4.28Å; W433-Y499 HydrophobicContact CD2-CG 4.16Å; W433-Y499 AromaticContact CE2-CD2 3.73Å; W433-Y499 HydrophobicContact CE3-CD2 4.13Å; W433-Y499 HydrophobicContact CE3-CG 4.28Å; W433-Y499 AromaticContact CG-CD2 3.56Å; W433-Y499 HydrophobicContact CG-CD2 3.56Å; W433-Y499 AromaticContact CG-CE2 3.79Å; W433-Y499 HydrophobicContact CG-CE2 3.79Å; W433-Y499 HydrophobicContact CG-CG 4.43Å; W433-Y499 HydrophobicContact CZ2-CD2 4.43Å; W433-Y499 AromaticContact NE1-CD2 3.81Å |
| 434 | N | 91.3 | Very high | 91.2 | Very high | 3 Ų | 3 | 62.8 Ų | 62.8 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -75 | -23.8 | 178.4 | -63.2 | 28.6 | 0 | 0 | 0 | 112 | Q419 Y428 Q431 Y432 F438 | Q419-N434 PolarHBondContact NE2-ND2 3.03Å; Q419-N434 VanDerWaalsContact NE2-ND2 3.17Å; Y428-N434 HydrophobicContact CD1-CB 4.11Å; Y428-N434 HydrophobicContact CD2-CB 4.14Å; Y428-N434 WeakPolarHBondContact CD2-ND2 3.39Å; Y428-N434 HydrophobicContact CE1-CB 3.8Å; Y428-N434 HydrophobicContact CE2-CB 3.85Å; Y428-N434 WeakPolarHBondContact CE2-ND2 3.47Å; Y428-N434 HydrophobicContact CG-CB 4.26Å; Y428-N434 WeakPolarHBondContact O-CB 3.33Å; Y428-N434 PolarHBondContact OH-O 3.18Å; Y428-N434 VanDerWaalsContact OH-O 3.13Å; Q431-N434 HydrophobicContact CB-CB 4.34Å; Q431-N434 WeakPolarHBondContact CG-OD1 3.47Å; Q431-N434 PolarHBondContact NE2-OD1 2.72Å; Q431-N434 WeakPolarHBondContact O-CB 3.09Å; Q431-N434 PolarHBondContact O-N 2.75Å; Y432-N434 VanDerWaalsContact C-N 3.29Å; Y432-N434 PolarHBondContact O-N 2.71Å; N434-F438 VanDerWaalsContact O-CB 3.29Å; N434-F438 WeakPolarHBondContact O-CB 3.42Å; N434-F438 PolarHBondContact O-N 2.99Å |
| 435 | W | 92.3 | Very high | 91.5 | Very high | 124 Ų | 124 | 65.2 Ų | 65.2 | 47% | 0.47 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.7 | -41.8 | 168.3 | -82.3 | 96 | 0 | 0 | 0 | 111.6 | V429 Q431 Y432 W433 D437 F438 I439 | V429-W435 HydrophobicContact CG1-CZ2 3.92Å; V429-W435 PolarHBondContact O-NE1 2.92Å; Q431-W435 PolarHBondContact O-N 2.89Å; Y432-W435 WeakPolarHBondContact O-CB 3.1Å; Y432-W435 PolarHBondContact O-N 3Å; W433-W435 VanDerWaalsContact C-N 3.32Å; W435-D437 VanDerWaalsContact C-N 3.33Å; W435-D437 PolarHBondContact O-N 2.94Å; W435-F438 PolarHBondContact O-N 2.84Å; W435-I439 WeakPolarHBondContact O-CB 3.5Å; W435-I439 VanDerWaalsContact O-CG1 3.26Å; W435-I439 WeakPolarHBondContact O-CG1 3.49Å; W435-I439 PolarHBondContact O-N 2.8Å |
| 436 | L | 91.9 | Very high | 91.8 | Very high | 30 Ų | 30 | 60.9 Ų | 60.9 | 16% | 0.157 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.3 | -43.7 | 174.2 | -169.3 | 157.9 | 0 | 0 | 0 | 110.7 | Y432 W433 I439 M440 F492 A495 R496 | Y432-L436 PolarHBondContact O-N 3.32Å; W433-L436 HydrophobicContact CE3-CD1 4.33Å; W433-L436 HydrophobicContact CZ3-CD1 4.12Å; W433-L436 WeakPolarHBondContact O-CB 3.33Å; W433-L436 PolarHBondContact O-N 2.98Å; L436-I439 PolarHBondContact O-N 3.21Å; L436-M440 VanDerWaalsContact O-CB 3.25Å; L436-M440 WeakPolarHBondContact O-CB 3.33Å; L436-M440 PolarHBondContact O-N 3.26Å; L436-F492 HydrophobicContact CG-CD1 4.22Å; L436-A495 HydrophobicContact CD1-CB 4.45Å; L436-R496 HydrophobicContact CD2-CB 3.89Å |
| 437 | D | 92.4 | Very high | 92 | Very high | 4 Ų | 4 | 54.6 Ų | 54.6 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 174.2 | -64.5 | -40.2 | 0 | 0 | 0 | 112.5 | W433 W435 M440 L441 R496 | W433-D437 PolarHBondContact O-N 3.22Å; W433-D437 VanDerWaalsContact O-OD2 3.07Å; W435-D437 VanDerWaalsContact C-N 3.33Å; W435-D437 PolarHBondContact O-N 2.94Å; D437-M440 PolarHBondContact O-N 2.82Å; D437-M440 WeakPolarHBondContact OD1-CE 3.12Å; D437-L441 WeakPolarHBondContact O-CB 3.24Å; D437-L441 VanDerWaalsContact O-CG 3.28Å; D437-L441 WeakPolarHBondContact O-CG 3.43Å; D437-L441 PolarHBondContact O-N 3.26Å; D437-R496 WeakPolarHBondContact OD1-CD 3.47Å; D437-R496 IonicContact OD1-CZ 2.81Å; D437-R496 IonicContact OD1-NE 2.76Å; D437-R496 PolarHBondContact OD1-NE 2.83Å; D437-R496 IonicContact OD1-NH1 3.7Å; D437-R496 PolarHBondContact OD1-NH1 2.83Å; D437-R496 IonicContact OD1-NH2 2.64Å; D437-R496 PolarHBondContact OD1-NH2 3.44Å; D437-R496 IonicContact OD2-CZ 3.91Å; D437-R496 IonicContact OD2-NH1 3.05Å; D437-R496 PolarHBondContact OD2-NH1 3.13Å; D437-R496 IonicContact OD2-NH2 3.56Å; D437-R496 PolarHBondContact OD2-NH2 2.83Å |
| 438 | F | 93.5 | Very high | 92.3 | Very high | 109 Ų | 109 | 49.1 Ų | 49.1 | 48% | 0.478 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.5 | -42.3 | 178.3 | -179.7 | -98.6 | 0 | 0 | 0 | 112.5 | N434 W435 S442 | N434-F438 VanDerWaalsContact O-CB 3.29Å; N434-F438 WeakPolarHBondContact O-CB 3.42Å; N434-F438 PolarHBondContact O-N 2.99Å; W435-F438 PolarHBondContact O-N 2.84Å; F438-S442 VanDerWaalsContact O-CB 3.23Å; F438-S442 WeakPolarHBondContact O-CB 3.37Å; F438-S442 PolarHBondContact O-N 3.13Å; F438-S442 PolarHBondContact O-OG 2.99Å |
| 439 | I | 94.6 | Very high | 92.6 | Very high | 63 Ų | 63 | 51 Ų | 51 | 32% | 0.323 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.4 | -51.1 | 176.1 | -69.6 | 164.6 | 0 | 0 | 0 | 109.8 | W435 L436 L441 S442 L443 F492 | W435-I439 WeakPolarHBondContact O-CB 3.5Å; W435-I439 VanDerWaalsContact O-CG1 3.26Å; W435-I439 WeakPolarHBondContact O-CG1 3.49Å; W435-I439 PolarHBondContact O-N 2.8Å; L436-I439 PolarHBondContact O-N 3.21Å; I439-L441 PolarHBondContact O-N 2.9Å; I439-S442 PolarHBondContact O-N 3.49Å; I439-S442 PolarHBondContact O-OG 2.88Å; I439-S442 VanDerWaalsContact O-OG 3.07Å; I439-L443 HydrophobicContact CG2-CD1 3.83Å; I439-L443 HydrophobicContact CG2-CG 4.47Å; I439-L443 WeakPolarHBondContact O-CB 3.46Å; I439-L443 WeakPolarHBondContact O-CG 3.44Å; I439-L443 PolarHBondContact O-N 3.06Å; I439-F492 HydrophobicContact CG2-CD2 4Å; I439-F492 HydrophobicContact CG2-CE1 4.45Å; I439-F492 HydrophobicContact CG2-CE2 3.77Å; I439-F492 HydrophobicContact CG2-CG 4.44Å; I439-F492 HydrophobicContact CG2-CZ 4.02Å |
| 440 | M | 95.1 | Very high | 92.8 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -53.5 | -51.4 | 176.5 | 173.7 | 177.5 | 45.7 | 0 | 0 | 112.1 | L436 D437 L443 Y444 F492 S493 R496 | L436-M440 VanDerWaalsContact O-CB 3.25Å; L436-M440 WeakPolarHBondContact O-CB 3.33Å; L436-M440 PolarHBondContact O-N 3.26Å; D437-M440 PolarHBondContact O-N 2.82Å; D437-M440 WeakPolarHBondContact OD1-CE 3.12Å; M440-L443 PolarHBondContact O-N 3.37Å; M440-Y444 HydrophobicContact CG-CD2 3.87Å; M440-Y444 HydrophobicContact CG-CE2 3.6Å; M440-Y444 WeakPolarHBondContact O-CD2 3.29Å; M440-Y444 PolarHBondContact O-N 3.36Å; M440-Y444 VanDerWaalsContact O-N 3.09Å; M440-Y444 HydrophobicContact SD-CE2 4.34Å; M440-F492 HydrophobicContact CB-CB 4.09Å; M440-S493 VanDerWaalsContact SD-CA 3.56Å; M440-R496 HydrophobicContact CE-CB 4.38Å; M440-R496 HydrophobicContact CE-CG 4.26Å |
| 441 | L | 95.1 | Very high | 93.1 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 6% | 0.058 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -72.9 | -35.6 | -176.1 | -68.1 | 169.6 | 0 | 0 | 0 | 112.9 | V409 M412 E416 D437 I439 Y444 L445 | V409-L441 HydrophobicContact CG1-CD2 4.09Å; M412-L441 HydrophobicContact CB-CD1 4.47Å; M412-L441 HydrophobicContact CB-CD2 3.79Å; M412-L441 HydrophobicContact CE-CD2 4.35Å; E416-L441 HydrophobicContact CB-CD1 4.45Å; E416-L441 HydrophobicContact CG-CD1 3.52Å; D437-L441 WeakPolarHBondContact O-CB 3.24Å; D437-L441 VanDerWaalsContact O-CG 3.28Å; D437-L441 WeakPolarHBondContact O-CG 3.43Å; D437-L441 PolarHBondContact O-N 3.26Å; I439-L441 PolarHBondContact O-N 2.9Å; L441-Y444 PolarHBondContact O-N 2.87Å; L441-L445 WeakPolarHBondContact O-CB 3.48Å; L441-L445 VanDerWaalsContact O-CG 3.23Å; L441-L445 WeakPolarHBondContact O-CG 3.2Å; L441-L445 PolarHBondContact O-N 3.18Å |
| 442 | S | 95.9 | Very high | 93.3 | Very high | 43 Ų | 43 | 50 Ų | 50 | 30% | 0.301 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.7 | -36.3 | 175.1 | 57 | 0 | 0 | 0 | 0 | 112.2 | F438 I439 S446 | F438-S442 VanDerWaalsContact O-CB 3.23Å; F438-S442 WeakPolarHBondContact O-CB 3.37Å; F438-S442 PolarHBondContact O-N 3.13Å; F438-S442 PolarHBondContact O-OG 2.99Å; I439-S442 PolarHBondContact O-N 3.49Å; I439-S442 PolarHBondContact O-OG 2.88Å; I439-S442 VanDerWaalsContact O-OG 3.07Å; S442-S446 VanDerWaalsContact O-CB 3.27Å; S442-S446 WeakPolarHBondContact O-CB 3.41Å; S442-S446 PolarHBondContact O-N 3.45Å; S442-S446 PolarHBondContact O-OG 3.42Å |
| 443 | L | 96.6 | Very high | 93.5 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 14% | 0.141 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65 | -44.2 | 172 | -68.1 | 168 | 0 | 0 | 0 | 112.2 | I439 M440 S446 T447 L485 V488 A489 F492 | I439-L443 HydrophobicContact CG2-CD1 3.83Å; I439-L443 HydrophobicContact CG2-CG 4.47Å; I439-L443 WeakPolarHBondContact O-CB 3.46Å; I439-L443 WeakPolarHBondContact O-CG 3.44Å; I439-L443 PolarHBondContact O-N 3.06Å; M440-L443 PolarHBondContact O-N 3.37Å; L443-S446 PolarHBondContact O-N 3.07Å; L443-T447 WeakPolarHBondContact O-CB 3.27Å; L443-T447 PolarHBondContact O-N 2.66Å; L443-T447 PolarHBondContact O-OG1 3.04Å; L443-L485 HydrophobicContact CD2-CD2 3.75Å; L443-V488 HydrophobicContact CD1-CB 4.47Å; L443-V488 HydrophobicContact CD1-CG1 3.83Å; L443-A489 HydrophobicContact CB-CB 3.73Å; L443-A489 HydrophobicContact CD1-CB 4.48Å; L443-F492 HydrophobicContact CD1-CD2 3.83Å; L443-F492 HydrophobicContact CD1-CE2 4.08Å |
| 444 | Y | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.5 | -44.6 | 174.9 | -76.4 | -56.3 | 0 | 0 | 0 | 112.7 | F366 L370 V409 M440 L441 S446 T447 F448 F486 A489 N490 S493 | F366-Y444 HydrophobicContact CE1-CE2 4.34Å; F366-Y444 AromaticContact CZ-CE2 3.88Å; F366-Y444 HydrophobicContact CZ-CE2 3.88Å; F366-Y444 AromaticContact CZ-CZ 3.97Å; L370-Y444 VanDerWaalsContact CD1-OH 3.26Å; L370-Y444 WeakPolarHBondContact CD1-OH 3.47Å; V409-Y444 HydrophobicContact CG2-CD2 4.12Å; V409-Y444 HydrophobicContact CG2-CG 4.05Å; M440-Y444 HydrophobicContact CG-CD2 3.87Å; M440-Y444 HydrophobicContact CG-CE2 3.6Å; M440-Y444 WeakPolarHBondContact O-CD2 3.29Å; M440-Y444 PolarHBondContact O-N 3.36Å; M440-Y444 VanDerWaalsContact O-N 3.09Å; M440-Y444 HydrophobicContact SD-CE2 4.34Å; L441-Y444 PolarHBondContact O-N 2.87Å; Y444-S446 VanDerWaalsContact C-N 3.3Å; Y444-S446 PolarHBondContact O-N 3.2Å; Y444-T447 WeakPolarHBondContact O-CB 3.46Å; Y444-T447 PolarHBondContact O-N 3.34Å; Y444-F448 WeakPolarHBondContact O-CD2 3.47Å; Y444-F448 WeakPolarHBondContact O-CG 3.41Å; Y444-F448 PolarHBondContact O-N 3.18Å; Y444-F486 HydrophobicContact CD1-CD2 4.05Å; Y444-F486 HydrophobicContact CD1-CE2 4.22Å; Y444-F486 AromaticContact CE1-CD2 3.81Å; Y444-F486 HydrophobicContact CE1-CD2 3.81Å; Y444-F486 AromaticContact CE1-CE2 3.76Å; Y444-F486 HydrophobicContact CE1-CE2 3.76Å; Y444-A489 HydrophobicContact CD1-CB 3.65Å; Y444-A489 HydrophobicContact CD2-CB 4.06Å; Y444-A489 HydrophobicContact CE1-CB 3.49Å; Y444-A489 VanDerWaalsContact CE1-CB 3.49Å; Y444-A489 HydrophobicContact CE2-CB 3.93Å; Y444-A489 HydrophobicContact CG-CB 3.91Å; Y444-A489 PolarHBondContact OH-O 3.14Å; Y444-N490 WeakPolarHBondContact CE1-OD1 3.39Å; Y444-N490 WeakPolarHBondContact OH-CA 3.33Å; Y444-N490 PolarHBondContact OH-OD1 3.25Å; Y444-S493 WeakPolarHBondContact OH-CB 3.48Å |
| 445 | L | 95.8 | Very high | 93.3 | Very high | 82 Ų | 82 | 45.8 Ų | 45.8 | 43% | 0.429 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63 | -38 | 176.8 | -70.9 | 170 | 0 | 0 | 0 | 111.6 | V409 L441 F448 A449 | V409-L445 HydrophobicContact CG1-CD2 4.36Å; V409-L445 HydrophobicContact CG1-CG 4.49Å; L441-L445 WeakPolarHBondContact O-CB 3.48Å; L441-L445 VanDerWaalsContact O-CG 3.23Å; L441-L445 WeakPolarHBondContact O-CG 3.2Å; L441-L445 PolarHBondContact O-N 3.18Å; L445-F448 PolarHBondContact O-N 2.92Å; L445-A449 WeakPolarHBondContact O-CB 3.39Å; L445-A449 PolarHBondContact O-N 2.81Å |
| 446 | S | 95.8 | Very high | 93.2 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 36% | 0.357 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.3 | -40 | 173.9 | -57.4 | 0 | 0 | 0 | 0 | 112.1 | S442 L443 Y444 A449 L450 | S442-S446 VanDerWaalsContact O-CB 3.27Å; S442-S446 WeakPolarHBondContact O-CB 3.41Å; S442-S446 PolarHBondContact O-N 3.45Å; S442-S446 PolarHBondContact O-OG 3.42Å; L443-S446 PolarHBondContact O-N 3.07Å; Y444-S446 VanDerWaalsContact C-N 3.3Å; Y444-S446 PolarHBondContact O-N 3.2Å; S446-A449 PolarHBondContact O-N 2.92Å; S446-L450 WeakPolarHBondContact O-CB 3.12Å; S446-L450 WeakPolarHBondContact O-CG 3.44Å; S446-L450 PolarHBondContact O-N 2.92Å |
| 447 | T | 94.4 | Very high | 93 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.2 | -51.4 | 173.4 | -61 | 0 | 0 | 0 | 0 | 111 | L443 Y444 L450 R451 F486 | L443-T447 WeakPolarHBondContact O-CB 3.27Å; L443-T447 PolarHBondContact O-N 2.66Å; L443-T447 PolarHBondContact O-OG1 3.04Å; Y444-T447 WeakPolarHBondContact O-CB 3.46Å; Y444-T447 PolarHBondContact O-N 3.34Å; T447-L450 PolarHBondContact O-N 3.13Å; T447-R451 WeakPolarHBondContact O-CG 3.47Å; T447-R451 PolarHBondContact O-N 3.34Å; T447-F486 HydrophobicContact CG2-CB 3.78Å; T447-F486 HydrophobicContact CG2-CD2 4.05Å; T447-F486 HydrophobicContact CG2-CG 4.25Å; T447-F486 PolarHBondContact OG1-N 3.49Å |
| 448 | F | 92.2 | Very high | 92.7 | Very high | 22 Ų | 22 | 48 Ų | 48 | 10% | 0.096 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.4 | -36 | -179.6 | -57.8 | -44.5 | 0 | 0 | 0 | 112.3 | I405 V406 V409 Y444 L445 R451 L452 | I405-F448 HydrophobicContact CG2-CZ 4.08Å; V406-F448 HydrophobicContact CG2-CD1 3.61Å; V406-F448 HydrophobicContact CG2-CD2 4.04Å; V406-F448 HydrophobicContact CG2-CE1 3.47Å; V406-F448 VanDerWaalsContact CG2-CE1 3.47Å; V406-F448 HydrophobicContact CG2-CE2 3.9Å; V406-F448 HydrophobicContact CG2-CG 3.92Å; V406-F448 HydrophobicContact CG2-CZ 3.63Å; V409-F448 HydrophobicContact CB-CE2 3.91Å; V409-F448 HydrophobicContact CG1-CE2 3.98Å; V409-F448 HydrophobicContact CG2-CE2 3.97Å; V409-F448 HydrophobicContact CG2-CZ 4.41Å; Y444-F448 WeakPolarHBondContact O-CD2 3.47Å; Y444-F448 WeakPolarHBondContact O-CG 3.41Å; Y444-F448 PolarHBondContact O-N 3.18Å; L445-F448 PolarHBondContact O-N 2.92Å; F448-R451 PolarHBondContact O-N 3.06Å; F448-L452 WeakPolarHBondContact O-CB 3.47Å; F448-L452 VanDerWaalsContact O-CG 3.28Å; F448-L452 WeakPolarHBondContact O-CG 3.2Å; F448-L452 PolarHBondContact O-N 3.22Å |
| 449 | A | 94.4 | Very high | 92.3 | Very high | 51 Ų | 51 | 46.7 Ų | 46.7 | 42% | 0.421 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.3 | -46.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L445 S446 L452 V453 | L445-A449 WeakPolarHBondContact O-CB 3.39Å; L445-A449 PolarHBondContact O-N 2.81Å; S446-A449 PolarHBondContact O-N 2.92Å; A449-L452 PolarHBondContact O-N 3.03Å; A449-V453 WeakPolarHBondContact O-CB 3.4Å; A449-V453 VanDerWaalsContact O-CG2 3.28Å; A449-V453 WeakPolarHBondContact O-CG2 3.39Å; A449-V453 PolarHBondContact O-N 3.47Å |
| 450 | L | 93.4 | Very high | 92 | Very high | 43 Ų | 43 | 47.7 Ų | 47.7 | 23% | 0.225 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 177.6 | -73.2 | 172.6 | 0 | 0 | 0 | 112.8 | S446 T447 V453 A454 P478 I481 L485 | S446-L450 WeakPolarHBondContact O-CB 3.12Å; S446-L450 WeakPolarHBondContact O-CG 3.44Å; S446-L450 PolarHBondContact O-N 2.92Å; T447-L450 PolarHBondContact O-N 3.13Å; L450-V453 PolarHBondContact O-N 2.86Å; L450-A454 WeakPolarHBondContact O-CB 3.46Å; L450-A454 PolarHBondContact O-N 2.68Å; L450-P478 HydrophobicContact CD2-CB 4.15Å; L450-I481 HydrophobicContact CD1-CB 4.06Å; L450-I481 HydrophobicContact CD1-CG2 3.62Å; L450-L485 HydrophobicContact CD1-CD1 3.82Å |
| 451 | R | 90.7 | Very high | 91.3 | Very high | 53 Ų | 53 | 49.7 Ų | 49.7 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 175 | -74.2 | -179.7 | 168.1 | -155.3 | -3.8 | 112.4 | E402 T447 F448 V453 A454 Y455 S482 | E402-R451 IonicContact OE1-CZ 3.66Å; E402-R451 IonicContact OE1-NH1 3.38Å; E402-R451 PolarHBondContact OE1-NH1 3.43Å; E402-R451 IonicContact OE1-NH2 3.27Å; E402-R451 IonicContact OE2-NH1 2.73Å; T447-R451 WeakPolarHBondContact O-CG 3.47Å; T447-R451 PolarHBondContact O-N 3.34Å; F448-R451 PolarHBondContact O-N 3.06Å; R451-V453 VanDerWaalsContact C-N 3.35Å; R451-A454 PolarHBondContact O-N 2.89Å; R451-Y455 WeakPolarHBondContact O-CB 3.44Å; R451-Y455 PolarHBondContact O-N 3.34Å; R451-S482 WeakPolarHBondContact CG-OG 3.35Å |
| 452 | L | 90.8 | Very high | 90.6 | Very high | 83 Ų | 83 | 58.6 Ų | 58.6 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 171.6 | -74.1 | 170.6 | 0 | 0 | 0 | 111.5 | F448 A449 Y455 F456 | F448-L452 WeakPolarHBondContact O-CB 3.47Å; F448-L452 VanDerWaalsContact O-CG 3.28Å; F448-L452 WeakPolarHBondContact O-CG 3.2Å; F448-L452 PolarHBondContact O-N 3.22Å; A449-L452 PolarHBondContact O-N 3.03Å; L452-Y455 PolarHBondContact O-N 3.35Å; L452-F456 HydrophobicContact CB-CD2 4.43Å; L452-F456 HydrophobicContact CB-CE2 4.36Å; L452-F456 WeakPolarHBondContact O-CB 3.08Å; L452-F456 WeakPolarHBondContact O-CD2 3.45Å; L452-F456 WeakPolarHBondContact O-CG 3.36Å; L452-F456 PolarHBondContact O-N 3Å |
| 453 | V | 91.8 | Very high | 89.4 | Confident | 63 Ų | 63 | 60.3 Ų | 60.3 | 38% | 0.382 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 175.1 | 166 | 0 | 0 | 0 | 0 | 111.5 | A449 L450 R451 F456 M457 | A449-V453 WeakPolarHBondContact O-CB 3.4Å; A449-V453 VanDerWaalsContact O-CG2 3.28Å; A449-V453 WeakPolarHBondContact O-CG2 3.39Å; A449-V453 PolarHBondContact O-N 3.47Å; L450-V453 PolarHBondContact O-N 2.86Å; R451-V453 VanDerWaalsContact C-N 3.35Å; V453-F456 PolarHBondContact O-N 3.17Å; V453-M457 HydrophobicContact CG1-CE 3.58Å; V453-M457 HydrophobicContact CG1-CG 4.29Å; V453-M457 HydrophobicContact CG1-SD 3.75Å; V453-M457 VanDerWaalsContact O-CB 3.31Å; V453-M457 WeakPolarHBondContact O-CB 3.49Å; V453-M457 VanDerWaalsContact O-CG 3.23Å; V453-M457 WeakPolarHBondContact O-CG 3.4Å; V453-M457 PolarHBondContact O-N 3.48Å |
| 454 | A | 89 | Confident | 88 | Confident | 4 Ų | 4 | 67 Ų | 67 | 3% | 0.033 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L450 R451 F456 M457 V458 P478 V479 | L450-A454 WeakPolarHBondContact O-CB 3.46Å; L450-A454 PolarHBondContact O-N 2.68Å; R451-A454 PolarHBondContact O-N 2.89Å; A454-F456 PolarHBondContact O-N 3.3Å; A454-M457 PolarHBondContact O-N 3.32Å; A454-V458 PolarHBondContact O-N 3.17Å; A454-P478 HydrophobicContact CB-CG 4.07Å; A454-V479 HydrophobicContact CB-CG2 3.71Å |
| 455 | Y | 88.4 | Confident | 87.1 | Confident | 95 Ų | 95 | 70.3 Ų | 70.3 | 37% | 0.373 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.3 | -43.9 | 175.1 | 177.9 | -95.2 | 0 | 0 | 0 | 112 | R451 L452 T459 | R451-Y455 WeakPolarHBondContact O-CB 3.44Å; R451-Y455 PolarHBondContact O-N 3.34Å; L452-Y455 PolarHBondContact O-N 3.35Å; Y455-T459 HydrophobicContact CD1-CG2 4.38Å; Y455-T459 HydrophobicContact CD2-CG2 4.42Å; Y455-T459 HydrophobicContact CE1-CG2 3.99Å; Y455-T459 HydrophobicContact CE2-CG2 4.03Å; Y455-T459 WeakPolarHBondContact O-CB 3.47Å; Y455-T459 WeakPolarHBondContact O-CG2 3.02Å; Y455-T459 PolarHBondContact O-N 3.4Å; Y455-T459 PolarHBondContact O-OG1 3.31Å |
| 456 | F | 88.9 | Confident | 86.2 | Confident | 118 Ų | 118 | 68.5 Ų | 68.5 | 52% | 0.518 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.2 | -35.8 | 174.8 | -75.3 | -54.2 | 0 | 0 | 0 | 112.8 | L452 V453 A454 T459 T460 | L452-F456 HydrophobicContact CB-CD2 4.43Å; L452-F456 HydrophobicContact CB-CE2 4.36Å; L452-F456 WeakPolarHBondContact O-CB 3.08Å; L452-F456 WeakPolarHBondContact O-CD2 3.45Å; L452-F456 WeakPolarHBondContact O-CG 3.36Å; L452-F456 PolarHBondContact O-N 3Å; V453-F456 PolarHBondContact O-N 3.17Å; A454-F456 PolarHBondContact O-N 3.3Å; F456-T459 WeakPolarHBondContact CA-OG1 3.35Å; F456-T459 PolarHBondContact O-OG1 3.44Å; F456-T460 VanDerWaalsContact O-CB 3.29Å; F456-T460 WeakPolarHBondContact O-CB 3.32Å; F456-T460 VanDerWaalsContact O-CG2 3.24Å; F456-T460 WeakPolarHBondContact O-CG2 3.33Å; F456-T460 PolarHBondContact O-N 2.93Å; F456-T460 PolarHBondContact O-OG1 3.49Å |
| 457 | M | 88.6 | Confident | 85.4 | Confident | 52 Ų | 52 | 70 Ų | 70 | 26% | 0.256 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 177.7 | -82.3 | 174.2 | 172.3 | 0 | 0 | 112.5 | V453 A454 T460 R462 Y463 P478 | V453-M457 HydrophobicContact CG1-CE 3.58Å; V453-M457 HydrophobicContact CG1-CG 4.29Å; V453-M457 HydrophobicContact CG1-SD 3.75Å; V453-M457 VanDerWaalsContact O-CB 3.31Å; V453-M457 WeakPolarHBondContact O-CB 3.49Å; V453-M457 VanDerWaalsContact O-CG 3.23Å; V453-M457 WeakPolarHBondContact O-CG 3.4Å; V453-M457 PolarHBondContact O-N 3.48Å; A454-M457 PolarHBondContact O-N 3.32Å; M457-T460 PolarHBondContact O-OG1 3.44Å; M457-R462 WeakPolarHBondContact O-CB 3.33Å; M457-R462 PolarHBondContact O-N 2.99Å; M457-Y463 HydrophobicContact CB-CD2 3.66Å; M457-Y463 HydrophobicContact CB-CE2 4.04Å; M457-Y463 HydrophobicContact CB-CG 4.37Å; M457-Y463 HydrophobicContact CE-CE2 4.32Å; M457-Y463 HydrophobicContact CG-CD2 4.07Å; M457-Y463 HydrophobicContact CG-CE2 3.96Å; M457-Y463 PolarHBondContact O-N 3.02Å; M457-Y463 HydrophobicContact SD-CD2 4.08Å; M457-Y463 HydrophobicContact SD-CE2 3.44Å; M457-Y463 WeakPolarHBondContact SD-CE2 3.28Å; M457-P478 HydrophobicContact SD-CG 4.14Å |
| 458 | V | 85.6 | Confident | 84.7 | Confident | 35 Ų | 35 | 72.2 Ų | 72.2 | 21% | 0.212 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -78.9 | -45.2 | 176.7 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | R394 A454 T460 G461 A466 | R394-V458 HydrophobicContact CB-CG2 3.88Å; R394-V458 WeakPolarHBondContact O-CG2 3.3Å; A454-V458 PolarHBondContact O-N 3.17Å; V458-T460 PolarHBondContact O-N 3.46Å; V458-G461 PolarHBondContact O-N 2.89Å; V458-A466 HydrophobicContact CG1-CB 3.58Å |
| 459 | T | 85.5 | Confident | 84.2 | Confident | 82 Ų | 82 | 75.3 Ų | 75.3 | 50% | 0.503 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.4 | -19.9 | 176.4 | 51.9 | 0 | 0 | 0 | 0 | 114 | Y455 F456 | Y455-T459 HydrophobicContact CD1-CG2 4.38Å; Y455-T459 HydrophobicContact CD2-CG2 4.42Å; Y455-T459 HydrophobicContact CE1-CG2 3.99Å; Y455-T459 HydrophobicContact CE2-CG2 4.03Å; Y455-T459 WeakPolarHBondContact O-CB 3.47Å; Y455-T459 WeakPolarHBondContact O-CG2 3.02Å; Y455-T459 PolarHBondContact O-N 3.4Å; Y455-T459 PolarHBondContact O-OG1 3.31Å; F456-T459 WeakPolarHBondContact CA-OG1 3.35Å; F456-T459 PolarHBondContact O-OG1 3.44Å |
| 460 | T | 87.5 | Confident | 83.6 | Confident | 84 Ų | 84 | 78.5 Ų | 78.5 | 52% | 0.515 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 8 | 171.6 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | F456 M457 V458 R462 | F456-T460 VanDerWaalsContact O-CB 3.29Å; F456-T460 WeakPolarHBondContact O-CB 3.32Å; F456-T460 VanDerWaalsContact O-CG2 3.24Å; F456-T460 WeakPolarHBondContact O-CG2 3.33Å; F456-T460 PolarHBondContact O-N 2.93Å; F456-T460 PolarHBondContact O-OG1 3.49Å; M457-T460 PolarHBondContact O-OG1 3.44Å; V458-T460 PolarHBondContact O-N 3.46Å; T460-R462 PolarHBondContact O-N 3.27Å |
| 461 | G | 81 | Confident | 83.2 | Confident | 45 Ų | 45 | 81.8 Ų | 81.8 | 46% | 0.464 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | 16.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V458 | V458-G461 PolarHBondContact O-N 2.89Š|
| 462 | R | 79.7 | Confident | 82.9 | Confident | 198 Ų | 198 | 87.5 Ų | 87.5 | 75% | 0.747 | 45% | 0.446 | S | S | * | . | trans | -81.7 | -16.3 | 179.2 | -67 | -178.1 | 174.6 | -169 | -1.2 | 113.2 | M457 T460 | M457-R462 WeakPolarHBondContact O-CB 3.33Å; M457-R462 PolarHBondContact O-N 2.99Å; T460-R462 PolarHBondContact O-N 3.27Å | ||
| 463 | Y | 72.4 | Confident | 82.7 | Confident | 79 Ų | 79 | 84.7 Ų | 84.7 | 31% | 0.31 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -127.3 | 92.3 | -179.8 | -86.4 | -111.2 | 0 | 0 | 0 | 109.6 | M457 E477 | M457-Y463 HydrophobicContact CB-CD2 3.66Å; M457-Y463 HydrophobicContact CB-CE2 4.04Å; M457-Y463 HydrophobicContact CB-CG 4.37Å; M457-Y463 HydrophobicContact CE-CE2 4.32Å; M457-Y463 HydrophobicContact CG-CD2 4.07Å; M457-Y463 HydrophobicContact CG-CE2 3.96Å; M457-Y463 PolarHBondContact O-N 3.02Å; M457-Y463 HydrophobicContact SD-CD2 4.08Å; M457-Y463 HydrophobicContact SD-CE2 3.44Å; M457-Y463 WeakPolarHBondContact SD-CE2 3.28Å; Y463-E477 HydrophobicContact CE1-CG 4.35Å |
| 464 | E | 66.8 | Low | 82.5 | Confident | 167 Ų | 167 | 89.1 Ų | 89.1 | 78% | 0.78 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -107.2 | 145.1 | 168.8 | -66.1 | -167.6 | 154.5 | 0 | 0 | 110.9 | ||
| 465 | P | 76.1 | Confident | 82.3 | Confident | 69 Ų | 69 | 93.4 Ų | 93.4 | 45% | 0.448 | 48% | 0.479 | S | S | . | . | cis | -72.1 | 146.9 | -12.4 | 32 | -35.2 | 0 | 0 | 0 | 111.3 | R394 L467 L468 | R394-P465 PolarHBondContact NH1-O 3.3Å; P465-L467 WeakPolarHBondContact CB-O 3.36Å; P465-L467 WeakPolarHBondContact CG-O 3.23Å; P465-L467 PolarHBondContact O-N 3.34Å; P465-L468 HydrophobicContact CG-CB 4.3Å; P465-L468 HydrophobicContact CG-CD1 4.18Å | ||
| 466 | A | 76.9 | Confident | 82.3 | Confident | 45 Ų | 45 | 96.8 Ų | 96.8 | 37% | 0.372 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -63.8 | -28.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R394 V458 | R394-A466 WeakPolarHBondContact CB-O 3.5Å; R394-A466 PolarHBondContact N-O 3.22Å; V458-A466 HydrophobicContact CG1-CB 3.58Å |
| 467 | L | 78.5 | Confident | 82.2 | Confident | 82 Ų | 82 | 91.5 Ų | 91.5 | 43% | 0.429 | 48% | 0.475 | S | S | . | . | B | Isolated β-bridge | trans | -106.1 | 118.6 | 173.3 | -162.5 | 80.9 | 0 | 0 | 0 | 109.6 | L389 A392 E393 P465 | L389-L467 HydrophobicContact CB-CD1 4.43Å; L389-L467 HydrophobicContact CD1-CD1 4.42Å; L389-L467 HydrophobicContact CD1-CD2 3.67Å; L389-L467 HydrophobicContact CG-CD1 3.83Å; L389-L467 HydrophobicContact CG-CD2 3.92Å; L389-L467 VanDerWaalsContact O-CD1 3.24Å; L389-L467 WeakPolarHBondContact O-CD1 3.39Å; A392-L467 HydrophobicContact CB-CD1 3.87Å; A392-L467 HydrophobicContact CB-CG 4.05Å; A392-L467 WeakPolarHBondContact O-CA 3.28Å; E393-L467 HydrophobicContact CB-CD1 4.42Å; P465-L467 WeakPolarHBondContact CB-O 3.36Å; P465-L467 WeakPolarHBondContact CG-O 3.23Å; P465-L467 PolarHBondContact O-N 3.34Å |
| 468 | L | 81.7 | Confident | 82.3 | Confident | 46 Ų | 46 | 89.6 Ų | 89.6 | 24% | 0.241 | 47% | 0.467 | C | S | . | . | trans | -148.4 | 139.2 | 173.1 | -168.9 | 64.8 | 0 | 0 | 0 | 110.5 | A392 P465 R470 W473 | A392-L468 WeakPolarHBondContact CA-O 3.35Å; A392-L468 WeakPolarHBondContact CB-O 3.31Å; A392-L468 PolarHBondContact O-N 3.15Å; A392-L468 VanDerWaalsContact O-O 3.1Å; P465-L468 HydrophobicContact CG-CB 4.3Å; P465-L468 HydrophobicContact CG-CD1 4.18Å; L468-R470 PolarHBondContact O-N 3.47Å; L468-W473 PolarHBondContact O-NE1 3.48Å | ||
| 469 | V | 81.4 | Confident | 82.5 | Confident | 87 Ų | 87 | 88.5 Ų | 88.5 | 53% | 0.527 | 46% | 0.46 | S | S | . | . | trans | -61.4 | 131.4 | 175.1 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | T471 Y472 | V469-T471 PolarHBondContact O-N 3.16Å; V469-Y472 HydrophobicContact CB-CD2 4.2Å; V469-Y472 PolarHBondContact O-N 2.96Å | ||
| 470 | R | 82.1 | Confident | 82.7 | Confident | 118 Ų | 118 | 86.2 Ų | 86.2 | 45% | 0.445 | 45% | 0.445 | S | S | . | . | G | 310 helix | trans | -52.7 | -24.6 | -171.5 | -170.7 | 173.8 | 173.4 | 123.7 | -4.9 | 115.3 | L468 Y472 W473 E483 | L468-R470 PolarHBondContact O-N 3.47Å; R470-Y472 PolarHBondContact O-N 3.09Å; R470-W473 HydrophobicContact CB-CD2 4.44Å; R470-W473 HydrophobicContact CG-CD2 4.17Å; R470-W473 HydrophobicContact CG-CE3 4.12Å; R470-W473 HydrophobicContact CG-CZ3 4.37Å; R470-W473 PolarHBondContact O-N 3.38Å; R470-E483 IonicContact CZ-OE1 2.72Å; R470-E483 IonicContact CZ-OE2 3.25Å; R470-E483 VanDerWaalsContact NH1-CD 3.27Å; R470-E483 IonicContact NH1-OE1 3.71Å; R470-E483 PolarHBondContact NH1-OE1 3.1Å; R470-E483 IonicContact NH1-OE2 3.78Å; R470-E483 PolarHBondContact NH1-OE2 2.88Å; R470-E483 IonicContact NH2-OE2 2.67Å; R470-E483 PolarHBondContact NH2-OE2 2.96Å |
| 471 | T | 83.6 | Confident | 83 | Confident | 113 Ų | 113 | 85.7 Ų | 85.7 | 69% | 0.693 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -65.1 | -18.5 | 174.5 | 51.8 | 0 | 0 | 0 | 0 | 114.5 | V469 | V469-T471 PolarHBondContact O-N 3.16Š|
| 472 | Y | 85.4 | Confident | 83.5 | Confident | 172 Ų | 172 | 83.5 Ų | 83.5 | 68% | 0.675 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -108.2 | 9.2 | 178.9 | -58.6 | -79.1 | 0 | 0 | 0 | 113.1 | V469 R470 | V469-Y472 HydrophobicContact CB-CD2 4.2Å; V469-Y472 PolarHBondContact O-N 2.96Å; R470-Y472 PolarHBondContact O-N 3.09Å |
| 473 | W | 86.1 | Confident | 84 | Confident | 24 Ų | 24 | 77 Ų | 77 | 9% | 0.091 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -74.4 | 146.6 | 172.9 | -66.4 | 12.1 | 0 | 0 | 0 | 110 | R394 L468 R470 E477 V479 L480 | R394-W473 HydrophobicContact CG-CZ2 4.19Å; L468-W473 PolarHBondContact O-NE1 3.48Å; R470-W473 HydrophobicContact CB-CD2 4.44Å; R470-W473 HydrophobicContact CG-CD2 4.17Å; R470-W473 HydrophobicContact CG-CE3 4.12Å; R470-W473 HydrophobicContact CG-CZ3 4.37Å; R470-W473 PolarHBondContact O-N 3.38Å; W473-E477 WeakPolarHBondContact CA-OE1 3.3Å; W473-E477 WeakPolarHBondContact CB-OE1 3.31Å; W473-V479 HydrophobicContact CH2-CB 4.47Å; W473-V479 HydrophobicContact CH2-CG1 4.04Å; W473-V479 HydrophobicContact CZ3-CB 3.94Å; W473-V479 HydrophobicContact CZ3-CG1 3.77Å; W473-L480 HydrophobicContact CB-CD1 4.38Å; W473-L480 HydrophobicContact CE3-CD1 4.26Å; W473-L480 HydrophobicContact CE3-CD2 3.63Å; W473-L480 HydrophobicContact CE3-CG 3.77Å; W473-L480 HydrophobicContact CZ3-CD2 3.87Å; W473-L480 HydrophobicContact CZ3-CG 4.24Å |
| 474 | K | 86.7 | Confident | 85 | Confident | 157 Ų | 157 | 77.1 Ų | 77.1 | 68% | 0.683 | 41% | 0.405 | S | S | * | . | trans | -73.8 | 144.3 | 172.1 | -61.1 | -179.2 | 179.1 | -179.6 | 0 | 109.5 | E476 E477 | K474-E476 PolarHBondContact O-N 3.36Å; K474-E477 HydrophobicContact CB-CG 4.15Å; K474-E477 PolarHBondContact N-OE1 3.47Å; K474-E477 WeakPolarHBondContact O-CB 3.21Å; K474-E477 WeakPolarHBondContact O-CG 3.2Å; K474-E477 PolarHBondContact O-N 3.38Å | ||
| 475 | A | 86.6 | Confident | 86.3 | Confident | 94 Ų | 94 | 71.4 Ų | 71.4 | 78% | 0.777 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -26.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 476 | E | 87.1 | Confident | 87.2 | Confident | 166 Ų | 166 | 69.5 Ų | 69.5 | 78% | 0.776 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | 3.3 | 179.9 | -59 | 176.5 | 168.7 | 0 | 0 | 114.1 | K474 I481 | K474-E476 PolarHBondContact O-N 3.36Å; E476-I481 WeakPolarHBondContact O-CD1 3.4Å |
| 477 | E | 87.8 | Confident | 87.9 | Confident | 6 Ų | 6 | 70 Ų | 70 | 3% | 0.028 | 37% | 0.369 | C | S | . | . | trans | -65.3 | 134.6 | -174.8 | -79.4 | -172.7 | -132.6 | 0 | 0 | 112.7 | R394 Y463 W473 K474 V479 L480 I481 | R394-E477 IonicContact CZ-OE1 2.71Å; R394-E477 IonicContact CZ-OE2 2.92Å; R394-E477 IonicContact NE-OE1 3.22Å; R394-E477 IonicContact NE-OE2 2.67Å; R394-E477 PolarHBondContact NE-OE2 2.91Å; R394-E477 IonicContact NH2-OE1 3.42Å; R394-E477 PolarHBondContact NH2-OE1 3.31Å; R394-E477 IonicContact NH2-OE2 3.22Å; R394-E477 PolarHBondContact NH2-OE2 2.82Å; Y463-E477 HydrophobicContact CE1-CG 4.35Å; W473-E477 WeakPolarHBondContact CA-OE1 3.3Å; W473-E477 WeakPolarHBondContact CB-OE1 3.31Å; K474-E477 HydrophobicContact CB-CG 4.15Å; K474-E477 PolarHBondContact N-OE1 3.47Å; K474-E477 WeakPolarHBondContact O-CB 3.21Å; K474-E477 WeakPolarHBondContact O-CG 3.2Å; K474-E477 PolarHBondContact O-N 3.38Å; E477-V479 PolarHBondContact O-N 2.69Å; E477-L480 PolarHBondContact O-N 2.99Å; E477-I481 PolarHBondContact O-N 3.05Å | ||
| 478 | P | 90.5 | Very high | 88.7 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 8% | 0.084 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.4 | -23.7 | -169.8 | 24.2 | -34.7 | 0 | 0 | 0 | 113.3 | L450 A454 M457 S482 | L450-P478 HydrophobicContact CD2-CB 4.15Å; A454-P478 HydrophobicContact CB-CG 4.07Å; M457-P478 HydrophobicContact SD-CG 4.14Å; P478-S482 VanDerWaalsContact O-CB 3.3Å; P478-S482 WeakPolarHBondContact O-CB 3.34Å; P478-S482 PolarHBondContact O-N 2.78Å |
| 479 | V | 89.3 | Confident | 89.4 | Confident | 12 Ų | 12 | 67.2 Ų | 67.2 | 7% | 0.073 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.6 | -50.6 | 174.1 | -175 | 0 | 0 | 0 | 0 | 110.5 | A454 W473 E477 I481 S482 E483 | A454-V479 HydrophobicContact CB-CG2 3.71Å; W473-V479 HydrophobicContact CH2-CB 4.47Å; W473-V479 HydrophobicContact CH2-CG1 4.04Å; W473-V479 HydrophobicContact CZ3-CB 3.94Å; W473-V479 HydrophobicContact CZ3-CG1 3.77Å; E477-V479 PolarHBondContact O-N 2.69Å; V479-I481 PolarHBondContact O-N 3.24Å; V479-S482 WeakPolarHBondContact O-CB 3.18Å; V479-S482 PolarHBondContact O-N 2.99Å; V479-S482 VanDerWaalsContact O-N 3.11Å; V479-S482 PolarHBondContact O-OG 2.74Å; V479-E483 PolarHBondContact O-N 2.93Å |
| 480 | L | 90.1 | Very high | 90 | Very high | 34 Ų | 34 | 64.1 Ų | 64.1 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 179.1 | -62.2 | 175.7 | 0 | 0 | 0 | 111.2 | W473 E477 S482 E483 C484 | W473-L480 HydrophobicContact CB-CD1 4.38Å; W473-L480 HydrophobicContact CE3-CD1 4.26Å; W473-L480 HydrophobicContact CE3-CD2 3.63Å; W473-L480 HydrophobicContact CE3-CG 3.77Å; W473-L480 HydrophobicContact CZ3-CD2 3.87Å; W473-L480 HydrophobicContact CZ3-CG 4.24Å; E477-L480 PolarHBondContact O-N 2.99Å; L480-S482 VanDerWaalsContact C-N 3.3Å; L480-S482 PolarHBondContact O-N 3.19Å; L480-E483 PolarHBondContact O-N 3.41Å; L480-C484 PolarHBondContact O-N 3.31Å; L480-C484 PolarHBondContact O-SG 3.42Å; L480-C484 VanDerWaalsContact O-SG 3.38Å |
| 481 | I | 92.8 | Very high | 90.6 | Very high | 72 Ų | 72 | 63.3 Ų | 63.3 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 176.7 | -56.6 | 174.7 | 0 | 0 | 0 | 109.9 | L450 E476 E477 V479 E483 C484 L485 | L450-I481 HydrophobicContact CD1-CB 4.06Å; L450-I481 HydrophobicContact CD1-CG2 3.62Å; E476-I481 WeakPolarHBondContact O-CD1 3.4Å; E477-I481 PolarHBondContact O-N 3.05Å; V479-I481 PolarHBondContact O-N 3.24Å; I481-E483 PolarHBondContact O-N 3.47Å; I481-C484 PolarHBondContact O-N 2.74Å; I481-L485 HydrophobicContact CG2-CD1 4.23Å; I481-L485 HydrophobicContact CG2-CG 4.44Å; I481-L485 WeakPolarHBondContact O-CG 3.48Å; I481-L485 PolarHBondContact O-N 3.31Å |
| 482 | S | 92.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.5 | -38.9 | 176.8 | 83.2 | 0 | 0 | 0 | 0 | 113.1 | R451 P478 V479 L480 L485 F486 | R451-S482 WeakPolarHBondContact CG-OG 3.35Å; P478-S482 VanDerWaalsContact O-CB 3.3Å; P478-S482 WeakPolarHBondContact O-CB 3.34Å; P478-S482 PolarHBondContact O-N 2.78Å; V479-S482 WeakPolarHBondContact O-CB 3.18Å; V479-S482 PolarHBondContact O-N 2.99Å; V479-S482 VanDerWaalsContact O-N 3.11Å; V479-S482 PolarHBondContact O-OG 2.74Å; L480-S482 VanDerWaalsContact C-N 3.3Å; L480-S482 PolarHBondContact O-N 3.19Å; S482-L485 PolarHBondContact O-N 3.33Å; S482-F486 VanDerWaalsContact O-CB 3.27Å; S482-F486 WeakPolarHBondContact O-CB 3.3Å; S482-F486 PolarHBondContact O-N 3.38Å |
| 483 | E | 90.1 | Very high | 91.5 | Very high | 60 Ų | 60 | 52.9 Ų | 52.9 | 28% | 0.28 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.5 | -42.4 | 177.2 | -71.9 | 176.3 | -155.9 | 0 | 0 | 111.8 | R470 V479 L480 I481 F486 A487 | R470-E483 IonicContact CZ-OE1 2.72Å; R470-E483 IonicContact CZ-OE2 3.25Å; R470-E483 VanDerWaalsContact NH1-CD 3.27Å; R470-E483 IonicContact NH1-OE1 3.71Å; R470-E483 PolarHBondContact NH1-OE1 3.1Å; R470-E483 IonicContact NH1-OE2 3.78Å; R470-E483 PolarHBondContact NH1-OE2 2.88Å; R470-E483 IonicContact NH2-OE2 2.67Å; R470-E483 PolarHBondContact NH2-OE2 2.96Å; V479-E483 PolarHBondContact O-N 2.93Å; L480-E483 PolarHBondContact O-N 3.41Å; I481-E483 PolarHBondContact O-N 3.47Å; E483-F486 PolarHBondContact O-N 3.05Å; E483-A487 WeakPolarHBondContact O-CB 3.39Å; E483-A487 PolarHBondContact O-N 3.35Å |
| 484 | C | 93.3 | Very high | 91.8 | Very high | 83 Ų | 83 | 56.1 Ų | 56.1 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.3 | -46.4 | 174.3 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | L480 I481 F486 A487 V488 | L480-C484 PolarHBondContact O-N 3.31Å; L480-C484 PolarHBondContact O-SG 3.42Å; L480-C484 VanDerWaalsContact O-SG 3.38Å; I481-C484 PolarHBondContact O-N 2.74Å; C484-F486 PolarHBondContact O-N 3.07Å; C484-A487 PolarHBondContact O-N 3.25Å; C484-V488 WeakPolarHBondContact O-CG2 3.33Å; C484-V488 PolarHBondContact O-N 2.98Å; C484-V488 VanDerWaalsContact O-N 3.15Å |
| 485 | L | 95.2 | Very high | 92.1 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.3 | -35.9 | 176.6 | -64.3 | 179.8 | 0 | 0 | 0 | 112.3 | L443 L450 I481 S482 V488 A489 | L443-L485 HydrophobicContact CD2-CD2 3.75Å; L450-L485 HydrophobicContact CD1-CD1 3.82Å; I481-L485 HydrophobicContact CG2-CD1 4.23Å; I481-L485 HydrophobicContact CG2-CG 4.44Å; I481-L485 WeakPolarHBondContact O-CG 3.48Å; I481-L485 PolarHBondContact O-N 3.31Å; S482-L485 PolarHBondContact O-N 3.33Å; L485-V488 PolarHBondContact O-N 2.9Å; L485-A489 VanDerWaalsContact O-CB 3.31Å; L485-A489 WeakPolarHBondContact O-CB 3.45Å; L485-A489 PolarHBondContact O-N 2.89Å |
| 486 | F | 93.4 | Very high | 92.4 | Very high | 28 Ų | 28 | 46.2 Ų | 46.2 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 175.5 | -173.5 | -119.6 | 0 | 0 | 0 | 112 | L370 Y444 T447 S482 E483 C484 V488 A489 N490 | L370-F486 HydrophobicContact CD2-CE2 4.25Å; L370-F486 HydrophobicContact CD2-CZ 4.11Å; Y444-F486 HydrophobicContact CD1-CD2 4.05Å; Y444-F486 HydrophobicContact CD1-CE2 4.22Å; Y444-F486 AromaticContact CE1-CD2 3.81Å; Y444-F486 HydrophobicContact CE1-CD2 3.81Å; Y444-F486 AromaticContact CE1-CE2 3.76Å; Y444-F486 HydrophobicContact CE1-CE2 3.76Å; T447-F486 HydrophobicContact CG2-CB 3.78Å; T447-F486 HydrophobicContact CG2-CD2 4.05Å; T447-F486 HydrophobicContact CG2-CG 4.25Å; T447-F486 PolarHBondContact OG1-N 3.49Å; S482-F486 VanDerWaalsContact O-CB 3.27Å; S482-F486 WeakPolarHBondContact O-CB 3.3Å; S482-F486 PolarHBondContact O-N 3.38Å; E483-F486 PolarHBondContact O-N 3.05Å; C484-F486 PolarHBondContact O-N 3.07Å; F486-V488 PolarHBondContact O-N 2.96Å; F486-A489 PolarHBondContact O-N 3.27Å; F486-N490 WeakPolarHBondContact CD1-ND2 3.43Å; F486-N490 WeakPolarHBondContact CE1-ND2 3.35Å; F486-N490 WeakPolarHBondContact CZ-ND2 3.33Å; F486-N490 WeakPolarHBondContact O-CB 3.32Å; F486-N490 PolarHBondContact O-N 3.05Å; F486-N490 PolarHBondContact O-ND2 3.44Å |
| 487 | A | 93.2 | Very high | 92.6 | Very high | 56 Ų | 56 | 40.7 Ų | 40.7 | 46% | 0.463 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.7 | -45.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E483 C484 N490 V491 | E483-A487 WeakPolarHBondContact O-CB 3.39Å; E483-A487 PolarHBondContact O-N 3.35Å; C484-A487 PolarHBondContact O-N 3.25Å; A487-N490 PolarHBondContact O-N 3.1Å; A487-V491 PolarHBondContact O-N 3.12Å |
| 488 | V | 95.2 | Very high | 92.8 | Very high | 69 Ų | 69 | 43.9 Ų | 43.9 | 42% | 0.418 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.1 | -41.8 | 176.3 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | L443 C484 L485 F486 N490 V491 F492 | L443-V488 HydrophobicContact CD1-CB 4.47Å; L443-V488 HydrophobicContact CD1-CG1 3.83Å; C484-V488 WeakPolarHBondContact O-CG2 3.33Å; C484-V488 PolarHBondContact O-N 2.98Å; C484-V488 VanDerWaalsContact O-N 3.15Å; L485-V488 PolarHBondContact O-N 2.9Å; F486-V488 PolarHBondContact O-N 2.96Å; V488-N490 VanDerWaalsContact C-N 3.3Å; V488-N490 PolarHBondContact O-N 2.96Å; V488-V491 PolarHBondContact O-N 3.12Å; V488-F492 HydrophobicContact CG1-CD2 3.98Å; V488-F492 HydrophobicContact CG1-CE2 3.69Å; V488-F492 VanDerWaalsContact O-CD2 3.32Å; V488-F492 WeakPolarHBondContact O-CD2 3.44Å; V488-F492 PolarHBondContact O-N 2.86Å |
| 489 | A | 95.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.1 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L443 Y444 L485 F486 V491 F492 S493 | L443-A489 HydrophobicContact CB-CB 3.73Å; L443-A489 HydrophobicContact CD1-CB 4.48Å; Y444-A489 HydrophobicContact CD1-CB 3.65Å; Y444-A489 HydrophobicContact CD2-CB 4.06Å; Y444-A489 HydrophobicContact CE1-CB 3.49Å; Y444-A489 VanDerWaalsContact CE1-CB 3.49Å; Y444-A489 HydrophobicContact CE2-CB 3.93Å; Y444-A489 HydrophobicContact CG-CB 3.91Å; Y444-A489 PolarHBondContact OH-O 3.14Å; L485-A489 VanDerWaalsContact O-CB 3.31Å; L485-A489 WeakPolarHBondContact O-CB 3.45Å; L485-A489 PolarHBondContact O-N 2.89Å; F486-A489 PolarHBondContact O-N 3.27Å; A489-V491 PolarHBondContact O-N 2.94Å; A489-F492 PolarHBondContact O-N 3.16Å; A489-S493 PolarHBondContact O-N 3.46Å |
| 490 | N | 93.6 | Very high | 92.7 | Very high | 22 Ų | 22 | 45.9 Ų | 45.9 | 12% | 0.118 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 177.3 | -68.4 | -20.4 | 0 | 0 | 0 | 111.7 | Y444 F486 A487 V488 F492 S493 F494 | Y444-N490 WeakPolarHBondContact CE1-OD1 3.39Å; Y444-N490 WeakPolarHBondContact OH-CA 3.33Å; Y444-N490 PolarHBondContact OH-OD1 3.25Å; F486-N490 WeakPolarHBondContact CD1-ND2 3.43Å; F486-N490 WeakPolarHBondContact CE1-ND2 3.35Å; F486-N490 WeakPolarHBondContact CZ-ND2 3.33Å; F486-N490 WeakPolarHBondContact O-CB 3.32Å; F486-N490 PolarHBondContact O-N 3.05Å; F486-N490 PolarHBondContact O-ND2 3.44Å; A487-N490 PolarHBondContact O-N 3.1Å; V488-N490 VanDerWaalsContact C-N 3.3Å; V488-N490 PolarHBondContact O-N 2.96Å; N490-F492 PolarHBondContact O-N 3.18Å; N490-S493 WeakPolarHBondContact O-CB 3.48Å; N490-S493 PolarHBondContact O-N 3.35Å; N490-S493 VanDerWaalsContact O-N 3.12Å; N490-S493 PolarHBondContact O-OG 2.86Å; N490-F494 VanDerWaalsContact O-CD2 3.3Å; N490-F494 WeakPolarHBondContact O-CD2 3.4Å; N490-F494 PolarHBondContact O-N 2.84Å; N490-F494 VanDerWaalsContact O-N 3.12Å |
| 491 | V | 94.8 | Very high | 92.8 | Very high | 101 Ų | 101 | 48.1 Ų | 48.1 | 61% | 0.612 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -58.7 | -46.1 | 174.1 | 175 | 0 | 0 | 0 | 0 | 111.3 | A487 V488 A489 S493 F494 A495 | A487-V491 PolarHBondContact O-N 3.12Å; V488-V491 PolarHBondContact O-N 3.12Å; A489-V491 PolarHBondContact O-N 2.94Å; V491-S493 VanDerWaalsContact C-N 3.3Å; V491-S493 PolarHBondContact O-N 3.47Å; V491-F494 PolarHBondContact O-N 3.47Å; V491-A495 PolarHBondContact O-N 3.31Å |
| 492 | F | 94.6 | Very high | 92.7 | Very high | 67 Ų | 67 | 45 Ų | 45 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.9 | -33.4 | 175.6 | -75.7 | -68.2 | 0 | 0 | 0 | 112.8 | L436 I439 M440 L443 V488 A489 N490 A495 R496 | L436-F492 HydrophobicContact CG-CD1 4.22Å; I439-F492 HydrophobicContact CG2-CD2 4Å; I439-F492 HydrophobicContact CG2-CE1 4.45Å; I439-F492 HydrophobicContact CG2-CE2 3.77Å; I439-F492 HydrophobicContact CG2-CG 4.44Å; I439-F492 HydrophobicContact CG2-CZ 4.02Å; M440-F492 HydrophobicContact CB-CB 4.09Å; L443-F492 HydrophobicContact CD1-CD2 3.83Å; L443-F492 HydrophobicContact CD1-CE2 4.08Å; V488-F492 HydrophobicContact CG1-CD2 3.98Å; V488-F492 HydrophobicContact CG1-CE2 3.69Å; V488-F492 VanDerWaalsContact O-CD2 3.32Å; V488-F492 WeakPolarHBondContact O-CD2 3.44Å; V488-F492 PolarHBondContact O-N 2.86Å; A489-F492 PolarHBondContact O-N 3.16Å; N490-F492 PolarHBondContact O-N 3.18Å; F492-A495 PolarHBondContact O-N 3.15Å; F492-R496 PolarHBondContact O-N 3.37Å |
| 493 | S | 93.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.5 | -40 | 176 | 82.4 | 0 | 0 | 0 | 0 | 113.1 | F363 L367 L370 M440 Y444 A489 N490 V491 R496 | F363-S493 WeakPolarHBondContact CZ-O 3.35Å; L367-S493 WeakPolarHBondContact CD2-OG 3.48Å; L370-S493 VanDerWaalsContact CD1-OG 3.32Å; L370-S493 WeakPolarHBondContact CD1-OG 3.49Å; M440-S493 VanDerWaalsContact SD-CA 3.56Å; Y444-S493 WeakPolarHBondContact OH-CB 3.48Å; A489-S493 PolarHBondContact O-N 3.46Å; N490-S493 WeakPolarHBondContact O-CB 3.48Å; N490-S493 PolarHBondContact O-N 3.35Å; N490-S493 VanDerWaalsContact O-N 3.12Å; N490-S493 PolarHBondContact O-OG 2.86Å; V491-S493 VanDerWaalsContact C-N 3.3Å; V491-S493 PolarHBondContact O-N 3.47Å; S493-R496 WeakPolarHBondContact O-CB 3.43Å; S493-R496 PolarHBondContact O-N 3.35Å |
| 494 | F | 93.5 | Very high | 92.6 | Very high | 91 Ų | 91 | 47 Ų | 47 | 40% | 0.399 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -70.6 | -38.8 | 173.2 | -76.4 | -76.5 | 0 | 0 | 0 | 111.6 | L367 T371 N490 V491 R496 I497 | L367-F494 HydrophobicContact CB-CE1 4.41Å; L367-F494 HydrophobicContact CD2-CD1 4.06Å; L367-F494 HydrophobicContact CD2-CE1 4.05Å; L367-F494 HydrophobicContact CD2-CG 4.28Å; L367-F494 HydrophobicContact CD2-CZ 4.26Å; T371-F494 HydrophobicContact CG2-CE1 4.49Å; T371-F494 HydrophobicContact CG2-CZ 3.8Å; N490-F494 VanDerWaalsContact O-CD2 3.3Å; N490-F494 WeakPolarHBondContact O-CD2 3.4Å; N490-F494 PolarHBondContact O-N 2.84Å; N490-F494 VanDerWaalsContact O-N 3.12Å; V491-F494 PolarHBondContact O-N 3.47Å; F494-R496 PolarHBondContact O-N 3.2Å; F494-I497 HydrophobicContact CD1-CD1 3.94Å; F494-I497 WeakPolarHBondContact O-CB 3.47Å; F494-I497 WeakPolarHBondContact O-CD1 3.41Å; F494-I497 VanDerWaalsContact O-CG1 3.25Å; F494-I497 WeakPolarHBondContact O-CG1 3.37Å; F494-I497 PolarHBondContact O-N 3.07Å; F494-I497 VanDerWaalsContact O-N 3.14Å |
| 495 | A | 92.6 | Very high | 92.4 | Very high | 32 Ų | 32 | 47.1 Ų | 47.1 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60 | -32.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | L436 V491 F492 I497 I498 | L436-A495 HydrophobicContact CD1-CB 4.45Å; V491-A495 PolarHBondContact O-N 3.31Å; F492-A495 PolarHBondContact O-N 3.15Å; A495-I497 PolarHBondContact O-N 3.34Å; A495-I498 WeakPolarHBondContact O-CB 3.31Å; A495-I498 WeakPolarHBondContact O-CG1 3.28Å; A495-I498 PolarHBondContact O-N 2.85Å |
| 496 | R | 92.3 | Very high | 92.2 | Very high | 11 Ų | 11 | 49.4 Ų | 49.4 | 4% | 0.042 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -60.3 | -24.5 | 176.5 | 177.8 | 56.4 | 179.9 | -152.2 | -16.4 | 113.8 | Y359 F363 W433 L436 D437 M440 F492 S493 F494 I498 Y499 | Y359-R496 PolarHBondContact OH-NH2 2.92Å; Y359-R496 VanDerWaalsContact OH-NH2 3.12Å; F363-R496 HydrophobicContact CE1-CB 3.96Å; F363-R496 HydrophobicContact CE1-CG 3.8Å; F363-R496 HydrophobicContact CE2-CG 4.19Å; F363-R496 HydrophobicContact CZ-CB 3.68Å; F363-R496 HydrophobicContact CZ-CG 3.54Å; W433-R496 PolarHBondContact O-NH1 3.41Å; L436-R496 HydrophobicContact CD2-CB 3.89Å; D437-R496 WeakPolarHBondContact OD1-CD 3.47Å; D437-R496 IonicContact OD1-CZ 2.81Å; D437-R496 IonicContact OD1-NE 2.76Å; D437-R496 PolarHBondContact OD1-NE 2.83Å; D437-R496 IonicContact OD1-NH1 3.7Å; D437-R496 PolarHBondContact OD1-NH1 2.83Å; D437-R496 IonicContact OD1-NH2 2.64Å; D437-R496 PolarHBondContact OD1-NH2 3.44Å; D437-R496 IonicContact OD2-CZ 3.91Å; D437-R496 IonicContact OD2-NH1 3.05Å; D437-R496 PolarHBondContact OD2-NH1 3.13Å; D437-R496 IonicContact OD2-NH2 3.56Å; D437-R496 PolarHBondContact OD2-NH2 2.83Å; M440-R496 HydrophobicContact CE-CB 4.38Å; M440-R496 HydrophobicContact CE-CG 4.26Å; F492-R496 PolarHBondContact O-N 3.37Å; S493-R496 WeakPolarHBondContact O-CB 3.43Å; S493-R496 PolarHBondContact O-N 3.35Å; F494-R496 PolarHBondContact O-N 3.2Å; R496-I498 PolarHBondContact O-N 2.92Å; R496-I498 VanDerWaalsContact O-N 3.16Å; R496-Y499 WeakPolarHBondContact O-CB 3.34Å; R496-Y499 PolarHBondContact O-N 3.39Å; R496-Y499 VanDerWaalsContact O-N 3.15Å |
| 497 | I | 91.5 | Very high | 92.2 | Very high | 51 Ų | 51 | 51.2 Ų | 51.2 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -56.2 | -33.6 | 176.6 | -57.5 | 168.8 | 0 | 0 | 0 | 111.3 | F363 L367 F494 A495 Y499 L500 F501 | F363-I497 HydrophobicContact CE1-CG1 4.26Å; L367-I497 HydrophobicContact CD1-CD1 3.6Å; L367-I497 HydrophobicContact CD1-CG1 3.55Å; F494-I497 HydrophobicContact CD1-CD1 3.94Å; F494-I497 WeakPolarHBondContact O-CB 3.47Å; F494-I497 WeakPolarHBondContact O-CD1 3.41Å; F494-I497 VanDerWaalsContact O-CG1 3.25Å; F494-I497 WeakPolarHBondContact O-CG1 3.37Å; F494-I497 PolarHBondContact O-N 3.07Å; F494-I497 VanDerWaalsContact O-N 3.14Å; A495-I497 PolarHBondContact O-N 3.34Å; I497-Y499 PolarHBondContact O-N 2.92Å; I497-Y499 VanDerWaalsContact O-N 3.11Å; I497-L500 WeakPolarHBondContact O-CB 3.22Å; I497-L500 PolarHBondContact O-N 3.17Å; I497-F501 HydrophobicContact CG2-CE1 3.93Å; I497-F501 HydrophobicContact CG2-CZ 4.18Å |
| 498 | I | 92.2 | Very high | 92.2 | Very high | 72 Ų | 72 | 48.5 Ų | 48.5 | 37% | 0.369 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -57.4 | -30.1 | -177.6 | -59.5 | 170.8 | 0 | 0 | 0 | 111.6 | W433 A495 R496 L500 F501 Q511 | W433-I498 HydrophobicContact CH2-CB 4Å; W433-I498 HydrophobicContact CH2-CG2 3.9Å; A495-I498 WeakPolarHBondContact O-CB 3.31Å; A495-I498 WeakPolarHBondContact O-CG1 3.28Å; A495-I498 PolarHBondContact O-N 2.85Å; R496-I498 PolarHBondContact O-N 2.92Å; R496-I498 VanDerWaalsContact O-N 3.16Å; I498-L500 VanDerWaalsContact C-N 3.27Å; I498-L500 PolarHBondContact O-N 2.85Å; I498-F501 HydrophobicContact CG1-CE2 4.35Å; I498-F501 HydrophobicContact CG2-CD2 4.36Å; I498-F501 WeakPolarHBondContact O-CB 3.45Å; I498-F501 PolarHBondContact O-N 3.35Å; I498-F501 VanDerWaalsContact O-N 3.15Å; I498-Q511 HydrophobicContact CG2-CG 3.52Å |
| 499 | Y | 89.2 | Confident | 92.1 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 12% | 0.118 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -59.1 | -36.6 | 174.6 | -175.2 | -125.8 | 0 | 0 | 0 | 112.8 | W433 R496 I497 F501 Q502 L647 | W433-Y499 HydrophobicContact CB-CD2 4.22Å; W433-Y499 HydrophobicContact CB-CE2 4.17Å; W433-Y499 AromaticContact CD1-CD2 3.71Å; W433-Y499 AromaticContact CD1-CE2 3.75Å; W433-Y499 AromaticContact CD2-CD2 3.55Å; W433-Y499 HydrophobicContact CD2-CD2 3.55Å; W433-Y499 HydrophobicContact CD2-CE2 4.28Å; W433-Y499 HydrophobicContact CD2-CG 4.16Å; W433-Y499 AromaticContact CE2-CD2 3.73Å; W433-Y499 HydrophobicContact CE3-CD2 4.13Å; W433-Y499 HydrophobicContact CE3-CG 4.28Å; W433-Y499 AromaticContact CG-CD2 3.56Å; W433-Y499 HydrophobicContact CG-CD2 3.56Å; W433-Y499 AromaticContact CG-CE2 3.79Å; W433-Y499 HydrophobicContact CG-CE2 3.79Å; W433-Y499 HydrophobicContact CG-CG 4.43Å; W433-Y499 HydrophobicContact CZ2-CD2 4.43Å; W433-Y499 AromaticContact NE1-CD2 3.81Å; R496-Y499 WeakPolarHBondContact O-CB 3.34Å; R496-Y499 PolarHBondContact O-N 3.39Å; R496-Y499 VanDerWaalsContact O-N 3.15Å; I497-Y499 PolarHBondContact O-N 2.92Å; I497-Y499 VanDerWaalsContact O-N 3.11Å; Y499-F501 VanDerWaalsContact C-N 3.27Å; Y499-F501 PolarHBondContact O-N 2.86Å; Y499-Q502 WeakPolarHBondContact O-CG 3.39Å; Y499-Q502 PolarHBondContact O-N 2.91Å; Y499-L647 HydrophobicContact CE1-CD1 3.89Å; Y499-L647 HydrophobicContact CE2-CD1 4.46Å; Y499-L647 WeakPolarHBondContact OH-CD1 3.31Å |
| 500 | L | 89.2 | Confident | 91.9 | Very high | 37 Ų | 37 | 51.7 Ų | 51.7 | 19% | 0.194 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -71.4 | -21.2 | -179.8 | -57.9 | 176.9 | 0 | 0 | 0 | 112.5 | F356 Y359 I497 I498 Q502 M503 | F356-L500 HydrophobicContact CE2-CD2 3.89Å; F356-L500 HydrophobicContact CZ-CD2 4.36Å; Y359-L500 HydrophobicContact CD1-CD2 4.39Å; Y359-L500 HydrophobicContact CE1-CD2 4.28Å; I497-L500 WeakPolarHBondContact O-CB 3.22Å; I497-L500 PolarHBondContact O-N 3.17Å; I498-L500 VanDerWaalsContact C-N 3.27Å; I498-L500 PolarHBondContact O-N 2.85Å; L500-Q502 PolarHBondContact O-N 3.13Å; L500-M503 WeakPolarHBondContact O-CB 3.32Å; L500-M503 PolarHBondContact O-N 3.13Å; L500-M503 VanDerWaalsContact O-N 3.16Å |
| 501 | F | 91.3 | Very high | 91.9 | Very high | 81 Ų | 81 | 51.7 Ų | 51.7 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -64.8 | -22.3 | 179 | -63.4 | -14.2 | 0 | 0 | 0 | 113 | I497 I498 Y499 M503 N504 L507 G508 | I497-F501 HydrophobicContact CG2-CE1 3.93Å; I497-F501 HydrophobicContact CG2-CZ 4.18Å; I498-F501 HydrophobicContact CG1-CE2 4.35Å; I498-F501 HydrophobicContact CG2-CD2 4.36Å; I498-F501 WeakPolarHBondContact O-CB 3.45Å; I498-F501 PolarHBondContact O-N 3.35Å; I498-F501 VanDerWaalsContact O-N 3.15Å; Y499-F501 VanDerWaalsContact C-N 3.27Å; Y499-F501 PolarHBondContact O-N 2.86Å; F501-M503 PolarHBondContact O-N 3.46Å; F501-N504 PolarHBondContact O-N 3.34Å; F501-L507 HydrophobicContact CB-CB 3.97Å; F501-L507 HydrophobicContact CD1-CD1 4.12Å; F501-L507 HydrophobicContact CE1-CD1 4.43Å; F501-L507 HydrophobicContact CG-CB 4.36Å; F501-L507 HydrophobicContact CG-CD1 4.17Å; F501-G508 WeakPolarHBondContact O-CA 3.21Å; F501-G508 PolarHBondContact O-N 3.36Å |
| 502 | Q | 91.9 | Very high | 91.7 | Very high | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -55.7 | -22.5 | 172.6 | -65 | 176.8 | 15.8 | 0 | 0 | 113.5 | Y499 L500 W640 L647 | Y499-Q502 WeakPolarHBondContact O-CG 3.39Å; Y499-Q502 PolarHBondContact O-N 2.91Å; L500-Q502 PolarHBondContact O-N 3.13Å; Q502-W640 PolarHBondContact O-NE1 3.41Å; Q502-L647 HydrophobicContact CB-CD2 4.06Å |
| 503 | M | 90 | Very high | 91.6 | Very high | 39 Ų | 39 | 44.3 Ų | 44.3 | 19% | 0.192 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -81.1 | -18.7 | 178.2 | -69.5 | -68.3 | -69.5 | 0 | 0 | 114.1 | W304 F356 L500 F501 R644 L647 W648 | W304-M503 HydrophobicContact CH2-CE 3.85Å; W304-M503 HydrophobicContact CZ2-CE 3.28Å; F356-M503 HydrophobicContact CD1-CE 4.12Å; F356-M503 HydrophobicContact CE1-CE 4.03Å; F356-M503 HydrophobicContact CE1-CG 4.31Å; F356-M503 HydrophobicContact CE2-CE 4.43Å; F356-M503 HydrophobicContact CE2-CG 3.7Å; F356-M503 HydrophobicContact CE2-SD 4.49Å; F356-M503 HydrophobicContact CG-CE 4.38Å; F356-M503 HydrophobicContact CZ-CB 4.14Å; F356-M503 HydrophobicContact CZ-CE 4.2Å; F356-M503 HydrophobicContact CZ-CG 3.6Å; L500-M503 WeakPolarHBondContact O-CB 3.32Å; L500-M503 PolarHBondContact O-N 3.13Å; L500-M503 VanDerWaalsContact O-N 3.16Å; F501-M503 PolarHBondContact O-N 3.46Å; M503-R644 HydrophobicContact SD-CG 4.4Å; M503-L647 HydrophobicContact CG-CD2 3.64Å; M503-L647 HydrophobicContact SD-CD2 3.69Å; M503-L647 HydrophobicContact SD-CG 4.27Å; M503-W648 VanDerWaalsContact SD-CD1 3.57Å; M503-W648 PolarHBondContact SD-NE1 3.49Å |
| 504 | N | 89.5 | Confident | 91.5 | Very high | 63 Ų | 63 | 49 Ų | 49 | 34% | 0.337 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -91.8 | 127.3 | -177 | -178.6 | -13.9 | 0 | 0 | 0 | 110.4 | F501 S506 L507 G508 | F501-N504 PolarHBondContact O-N 3.34Å; N504-S506 PolarHBondContact O-N 3.23Å; N504-S506 PolarHBondContact OD1-N 3.39Å; N504-L507 HydrophobicContact CB-CB 4.22Å; N504-L507 PolarHBondContact O-N 3.08Å; N504-G508 WeakPolarHBondContact O-CA 3.33Å; N504-G508 PolarHBondContact O-N 3.03Å |
| 505 | P | 89.7 | Confident | 91.3 | Very high | 84 Ų | 84 | 46.1 Ų | 46.1 | 55% | 0.545 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -32.1 | 176 | 21.9 | -33.9 | 0 | 0 | 0 | 115.1 | P509 W640 | P505-P509 VanDerWaalsContact O-CD 3.27Å; P505-P509 WeakPolarHBondContact O-CD 3.28Å; P505-W640 VanDerWaalsContact CA-CH2 3.48Å; P505-W640 VanDerWaalsContact CA-CZ2 3.4Å; P505-W640 HydrophobicContact CB-CH2 3.64Å; P505-W640 HydrophobicContact CB-CZ2 4.05Å; P505-W640 HydrophobicContact CB-CZ3 4.44Å |
| 506 | S | 90.2 | Very high | 91.2 | Very high | 95 Ų | 95 | 46.5 Ų | 46.5 | 66% | 0.664 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -32.3 | -177 | -54 | 0 | 0 | 0 | 0 | 113.5 | N504 | N504-S506 PolarHBondContact O-N 3.23Å; N504-S506 PolarHBondContact OD1-N 3.39Å |
| 507 | L | 92.7 | Very high | 91.2 | Very high | 66 Ų | 66 | 47.6 Ų | 47.6 | 35% | 0.346 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -24.4 | -175.6 | -58.3 | 178.4 | 0 | 0 | 0 | 113.4 | F501 N504 L510 Q511 | F501-L507 HydrophobicContact CB-CB 3.97Å; F501-L507 HydrophobicContact CD1-CD1 4.12Å; F501-L507 HydrophobicContact CE1-CD1 4.43Å; F501-L507 HydrophobicContact CG-CB 4.36Å; F501-L507 HydrophobicContact CG-CD1 4.17Å; N504-L507 HydrophobicContact CB-CB 4.22Å; N504-L507 PolarHBondContact O-N 3.08Å; L507-L510 PolarHBondContact O-N 2.94Å; L507-Q511 WeakPolarHBondContact O-CB 3.4Å; L507-Q511 PolarHBondContact O-N 3.04Å |
| 508 | G | 93.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.8 | -50.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114 | F501 N504 L510 Q511 I512 | F501-G508 WeakPolarHBondContact O-CA 3.21Å; F501-G508 PolarHBondContact O-N 3.36Å; N504-G508 WeakPolarHBondContact O-CA 3.33Å; N504-G508 PolarHBondContact O-N 3.03Å; G508-L510 PolarHBondContact O-N 2.84Å; G508-Q511 PolarHBondContact O-N 3.32Å; G508-I512 WeakPolarHBondContact O-CD1 3.41Å; G508-I512 WeakPolarHBondContact O-CG1 3.47Å; G508-I512 PolarHBondContact O-N 3.14Å; G508-I512 VanDerWaalsContact O-N 3.12Å |
| 509 | P | 93.7 | Very high | 91 | Very high | 29 Ų | 29 | 49.9 Ų | 49.9 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 175.3 | -25 | 34.7 | 0 | 0 | 0 | 112.4 | P505 Q511 I512 S513 A636 W640 | P505-P509 VanDerWaalsContact O-CD 3.27Å; P505-P509 WeakPolarHBondContact O-CD 3.28Å; P509-Q511 PolarHBondContact O-N 3.01Å; P509-I512 PolarHBondContact O-N 3.4Å; P509-S513 PolarHBondContact O-N 3.45Å; P509-S513 PolarHBondContact O-OG 3.47Å; P509-A636 HydrophobicContact CB-CB 4.21Å; P509-W640 HydrophobicContact CB-CB 4.41Å; P509-W640 HydrophobicContact CG-CB 3.91Å; P509-W640 HydrophobicContact CG-CD2 4.07Å; P509-W640 HydrophobicContact CG-CE3 4.33Å; P509-W640 HydrophobicContact CG-CG 3.86Å |
| 510 | L | 91.5 | Very high | 91 | Very high | 106 Ų | 106 | 49.5 Ų | 49.5 | 56% | 0.555 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.1 | -41.3 | 179.2 | -179.8 | 64.3 | 0 | 0 | 0 | 112.9 | L507 G508 I512 S513 L514 | L507-L510 PolarHBondContact O-N 2.94Å; G508-L510 PolarHBondContact O-N 2.84Å; L510-I512 VanDerWaalsContact C-N 3.33Å; L510-S513 PolarHBondContact O-OG 3.21Å; L510-L514 PolarHBondContact O-N 3.05Å |
| 511 | Q | 92.6 | Very high | 91.1 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 11% | 0.107 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 175.1 | -172.8 | -83.9 | -85.5 | 0 | 0 | 110.6 | I498 L507 G508 P509 L514 G515 | I498-Q511 HydrophobicContact CG2-CG 3.52Å; L507-Q511 WeakPolarHBondContact O-CB 3.4Å; L507-Q511 PolarHBondContact O-N 3.04Å; G508-Q511 PolarHBondContact O-N 3.32Å; P509-Q511 PolarHBondContact O-N 3.01Å; Q511-L514 PolarHBondContact O-N 3.16Å; Q511-G515 PolarHBondContact O-N 2.89Å |
| 512 | I | 92.1 | Very high | 91.1 | Very high | 8 Ų | 8 | 49.3 Ų | 49.3 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.4 | -40.9 | -175.2 | -68.9 | 163.1 | 0 | 0 | 0 | 111 | G508 P509 L510 L514 G515 C516 E639 W640 H643 | G508-I512 WeakPolarHBondContact O-CD1 3.41Å; G508-I512 WeakPolarHBondContact O-CG1 3.47Å; G508-I512 PolarHBondContact O-N 3.14Å; G508-I512 VanDerWaalsContact O-N 3.12Å; P509-I512 PolarHBondContact O-N 3.4Å; L510-I512 VanDerWaalsContact C-N 3.33Å; I512-L514 VanDerWaalsContact C-N 3.3Å; I512-L514 PolarHBondContact O-N 3.25Å; I512-G515 WeakPolarHBondContact O-CA 3.16Å; I512-G515 PolarHBondContact O-N 3.19Å; I512-G515 VanDerWaalsContact O-N 3.08Å; I512-C516 PolarHBondContact O-N 3.46Å; I512-E639 HydrophobicContact CG2-CB 3.97Å; I512-W640 HydrophobicContact CD1-CB 4.11Å; I512-H643 HydrophobicContact CD1-CB 3.62Å; I512-H643 HydrophobicContact CG1-CB 4.48Å |
| 513 | S | 91.5 | Very high | 91 | Very high | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.028 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60 | -40.8 | 174.3 | 60 | 0 | 0 | 0 | 0 | 112.1 | P509 L510 C516 M517 | P509-S513 PolarHBondContact O-N 3.45Å; P509-S513 PolarHBondContact O-OG 3.47Å; L510-S513 PolarHBondContact O-OG 3.21Å; S513-C516 PolarHBondContact O-N 3.05Å; S513-M517 WeakPolarHBondContact O-CG 3.47Å; S513-M517 PolarHBondContact O-N 3.05Å |
| 514 | L | 90.6 | Very high | 91 | Very high | 100 Ų | 100 | 53.8 Ų | 53.8 | 52% | 0.524 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 172.5 | -173.5 | 157.3 | 0 | 0 | 0 | 111.4 | L510 Q511 I512 C516 M517 L518 | L510-L514 PolarHBondContact O-N 3.05Å; Q511-L514 PolarHBondContact O-N 3.16Å; I512-L514 VanDerWaalsContact C-N 3.3Å; I512-L514 PolarHBondContact O-N 3.25Å; L514-C516 PolarHBondContact O-N 3.12Å; L514-M517 PolarHBondContact O-N 3.15Å; L514-L518 HydrophobicContact CD2-CD1 3.92Å; L514-L518 HydrophobicContact CD2-CG 4.28Å; L514-L518 WeakPolarHBondContact O-CG 3.42Å; L514-L518 PolarHBondContact O-N 3.38Å; L514-L518 VanDerWaalsContact O-N 3.12Å |
| 515 | G | 89.8 | Confident | 91 | Very high | 29 Ų | 29 | 56.7 Ų | 56.7 | 30% | 0.299 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.3 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q511 I512 | Q511-G515 PolarHBondContact O-N 2.89Å; I512-G515 WeakPolarHBondContact O-CA 3.16Å; I512-G515 PolarHBondContact O-N 3.19Å; I512-G515 VanDerWaalsContact O-N 3.08Å |
| 516 | C | 90.4 | Very high | 91.1 | Very high | 41 Ų | 41 | 59.9 Ų | 59.9 | 28% | 0.277 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.6 | -39 | 176.6 | -71 | 0 | 0 | 0 | 0 | 112 | I512 S513 L514 L518 V519 I632 E639 | I512-C516 PolarHBondContact O-N 3.46Å; S513-C516 PolarHBondContact O-N 3.05Å; L514-C516 PolarHBondContact O-N 3.12Å; C516-L518 VanDerWaalsContact C-N 3.32Å; C516-L518 PolarHBondContact O-N 3.47Å; C516-V519 PolarHBondContact O-N 3.43Å; C516-I632 HydrophobicContact CB-CD1 3.61Å; C516-I632 HydrophobicContact CB-CG1 4.22Å; C516-I632 HydrophobicContact CB-CG2 4.22Å; C516-E639 PolarHBondContact SG-OE2 3.43Å |
| 517 | M | 92.3 | Very high | 91.2 | Very high | 33 Ų | 33 | 59.3 Ų | 59.3 | 16% | 0.163 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.4 | -32.7 | 175.7 | -74.2 | -173.3 | -64.6 | 0 | 0 | 113.5 | S513 L514 V519 D520 I521 F629 I632 | S513-M517 WeakPolarHBondContact O-CG 3.47Å; S513-M517 PolarHBondContact O-N 3.05Å; L514-M517 PolarHBondContact O-N 3.15Å; M517-V519 PolarHBondContact O-N 2.65Å; M517-V519 VanDerWaalsContact O-N 3.13Å; M517-D520 PolarHBondContact O-N 2.88Å; M517-I521 WeakPolarHBondContact O-CG1 3.44Å; M517-I521 PolarHBondContact O-N 3.23Å; M517-F629 HydrophobicContact CE-CD2 3.89Å; M517-F629 HydrophobicContact SD-CB 3.7Å; M517-F629 HydrophobicContact SD-CD2 3.93Å; M517-F629 HydrophobicContact SD-CG 4.29Å; M517-I632 HydrophobicContact CG-CD1 3.86Å |
| 518 | L | 90.4 | Very high | 91.2 | Very high | 97 Ų | 97 | 57.1 Ų | 57.1 | 51% | 0.508 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.9 | -28.2 | 176.6 | -75.4 | 171.6 | 0 | 0 | 0 | 113.2 | L514 C516 I521 A522 | L514-L518 HydrophobicContact CD2-CD1 3.92Å; L514-L518 HydrophobicContact CD2-CG 4.28Å; L514-L518 WeakPolarHBondContact O-CG 3.42Å; L514-L518 PolarHBondContact O-N 3.38Å; L514-L518 VanDerWaalsContact O-N 3.12Å; C516-L518 VanDerWaalsContact C-N 3.32Å; C516-L518 PolarHBondContact O-N 3.47Å; L518-I521 HydrophobicContact CD2-CD1 4.36Å; L518-A522 WeakPolarHBondContact O-CB 3.13Å; L518-A522 PolarHBondContact O-N 3.1Å |
| 519 | V | 88.4 | Confident | 91.1 | Very high | 75 Ų | 75 | 59.5 Ų | 59.5 | 46% | 0.455 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -71 | -34.1 | 177.3 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | C516 M517 K523 | C516-V519 PolarHBondContact O-N 3.43Å; M517-V519 PolarHBondContact O-N 2.65Å; M517-V519 VanDerWaalsContact O-N 3.13Å; V519-K523 WeakPolarHBondContact O-CE 3.36Å; V519-K523 WeakPolarHBondContact O-CG 3.38Å |
| 520 | D | 90 | Very high | 91.1 | Very high | 21 Ų | 21 | 63.2 Ų | 63.2 | 11% | 0.112 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -78.7 | -38.4 | 175.4 | -69.5 | -27.1 | 0 | 0 | 0 | 111 | M517 A522 K523 F524 S628 R631 | M517-D520 PolarHBondContact O-N 2.88Å; D520-A522 VanDerWaalsContact C-N 3.3Å; D520-A522 PolarHBondContact O-N 2.67Å; D520-K523 WeakPolarHBondContact O-CB 3.36Å; D520-K523 PolarHBondContact O-N 3.44Å; D520-K523 IonicContact OD1-NZ 3.61Å; D520-K523 PolarHBondContact OD1-NZ 2.84Å; D520-F524 PolarHBondContact O-N 3.24Å; D520-S628 WeakPolarHBondContact OD2-CB 3.35Å; D520-S628 PolarHBondContact OD2-OG 3.18Å; D520-R631 IonicContact OD2-NH2 3.46Å; D520-R631 PolarHBondContact OD2-NH2 3.23Å; D520-R631 VanDerWaalsContact OD2-NH2 3.13Å |
| 521 | I | 92.1 | Very high | 91.2 | Very high | 53 Ų | 53 | 59.6 Ų | 59.6 | 27% | 0.272 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59 | -40.2 | 171.8 | -63.2 | 166.1 | 0 | 0 | 0 | 111 | M517 L518 K523 F524 F525 L621 M625 | M517-I521 WeakPolarHBondContact O-CG1 3.44Å; M517-I521 PolarHBondContact O-N 3.23Å; L518-I521 HydrophobicContact CD2-CD1 4.36Å; I521-K523 VanDerWaalsContact C-N 3.34Å; I521-K523 PolarHBondContact O-N 2.98Å; I521-F524 WeakPolarHBondContact O-CB 3.32Å; I521-F524 PolarHBondContact O-N 3.26Å; I521-F525 WeakPolarHBondContact O-CB 3.46Å; I521-F525 PolarHBondContact O-N 2.83Å; I521-L621 HydrophobicContact CG1-CD1 4.32Å; I521-M625 HydrophobicContact CD1-CG 4.33Å; I521-M625 HydrophobicContact CD1-SD 3.75Å; I521-M625 HydrophobicContact CG1-CG 4.09Å; I521-M625 HydrophobicContact CG1-SD 3.99Å |
| 522 | A | 90.1 | Very high | 91.3 | Very high | 62 Ų | 62 | 59.4 Ų | 59.4 | 51% | 0.512 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.3 | -35.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L518 D520 F525 F526 | L518-A522 WeakPolarHBondContact O-CB 3.13Å; L518-A522 PolarHBondContact O-N 3.1Å; D520-A522 VanDerWaalsContact C-N 3.3Å; D520-A522 PolarHBondContact O-N 2.67Å; A522-F525 PolarHBondContact O-N 3.41Å; A522-F526 PolarHBondContact O-N 2.67Å |
| 523 | K | 89.2 | Confident | 91.4 | Very high | 127 Ų | 127 | 60.5 Ų | 60.5 | 55% | 0.552 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.5 | -42.3 | 173.2 | -61.5 | 163.9 | -164.5 | 166.4 | 0 | 110.8 | V519 D520 I521 F526 | V519-K523 WeakPolarHBondContact O-CE 3.36Å; V519-K523 WeakPolarHBondContact O-CG 3.38Å; D520-K523 WeakPolarHBondContact O-CB 3.36Å; D520-K523 PolarHBondContact O-N 3.44Å; D520-K523 IonicContact OD1-NZ 3.61Å; D520-K523 PolarHBondContact OD1-NZ 2.84Å; I521-K523 VanDerWaalsContact C-N 3.34Å; I521-K523 PolarHBondContact O-N 2.98Å; K523-F526 WeakPolarHBondContact O-CB 3.49Å; K523-F526 PolarHBondContact O-N 3.39Å |
| 524 | F | 90.2 | Very high | 91.6 | Very high | 14 Ų | 14 | 63.4 Ų | 63.4 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66 | -38.9 | 177.5 | -167.5 | -90 | 0 | 0 | 0 | 112.3 | D520 I521 F526 I527 F528 L617 M620 L621 M624 | D520-F524 PolarHBondContact O-N 3.24Å; I521-F524 WeakPolarHBondContact O-CB 3.32Å; I521-F524 PolarHBondContact O-N 3.26Å; F524-F526 PolarHBondContact O-N 2.85Å; F524-I527 WeakPolarHBondContact O-CB 3.37Å; F524-I527 PolarHBondContact O-N 3.26Å; F524-F528 PolarHBondContact O-N 3.38Å; F524-F528 VanDerWaalsContact O-N 3.08Å; F524-L617 HydrophobicContact CE1-CB 4.06Å; F524-L617 HydrophobicContact CE1-CD2 4.45Å; F524-L617 HydrophobicContact CE2-CD2 4.46Å; F524-L617 HydrophobicContact CZ-CB 3.78Å; F524-L617 HydrophobicContact CZ-CD2 3.76Å; F524-L617 HydrophobicContact CZ-CG 4.31Å; F524-L617 WeakPolarHBondContact CZ-O 3.47Å; F524-M620 HydrophobicContact CE2-CB 3.99Å; F524-M620 HydrophobicContact CZ-CB 4.27Å; F524-L621 HydrophobicContact CB-CD1 4.12Å; F524-L621 HydrophobicContact CD1-CB 4.07Å; F524-L621 HydrophobicContact CD1-CD1 3.85Å; F524-L621 HydrophobicContact CD1-CD2 4.22Å; F524-L621 HydrophobicContact CD1-CG 4.26Å; F524-L621 HydrophobicContact CE1-CB 3.82Å; F524-L621 HydrophobicContact CE1-CD1 4.48Å; F524-L621 HydrophobicContact CE1-CD2 4.38Å; F524-L621 HydrophobicContact CE1-CG 4.45Å; F524-L621 HydrophobicContact CE2-CB 4.45Å; F524-L621 HydrophobicContact CG-CB 4.49Å; F524-L621 HydrophobicContact CG-CD1 3.91Å; F524-L621 HydrophobicContact CZ-CB 4.03Å; F524-M624 HydrophobicContact CB-SD 4.41Å; F524-M624 HydrophobicContact CD2-CE 3.89Å; F524-M624 HydrophobicContact CD2-SD 4.31Å |
| 525 | F | 90.4 | Very high | 91.8 | Very high | 124 Ų | 124 | 60.2 Ų | 60.2 | 54% | 0.544 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -60.4 | -28.3 | 178.5 | -172.3 | -98.9 | 0 | 0 | 0 | 113.2 | I521 A522 F528 T529 | I521-F525 WeakPolarHBondContact O-CB 3.46Å; I521-F525 PolarHBondContact O-N 2.83Å; A522-F525 PolarHBondContact O-N 3.41Å; F525-F528 HydrophobicContact CD2-CD1 4.16Å; F525-F528 AromaticContact CE2-CD1 3.99Å; F525-F528 HydrophobicContact CE2-CD1 3.99Å; F525-F528 HydrophobicContact CE2-CE1 4.4Å; F525-F528 PolarHBondContact O-N 2.8Å; F525-T529 WeakPolarHBondContact CE1-OG1 3.48Å; F525-T529 WeakPolarHBondContact O-CB 3.45Å; F525-T529 PolarHBondContact O-N 2.97Å; F525-T529 PolarHBondContact O-OG1 3.08Å |
| 526 | F | 91.7 | Very high | 92 | Very high | 151 Ų | 151 | 58.9 Ų | 58.9 | 66% | 0.662 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.5 | -42.6 | 171.8 | -178.5 | -100.7 | 0 | 0 | 0 | 112.3 | A522 K523 F524 T529 L530 | A522-F526 PolarHBondContact O-N 2.67Å; K523-F526 WeakPolarHBondContact O-CB 3.49Å; K523-F526 PolarHBondContact O-N 3.39Å; F524-F526 PolarHBondContact O-N 2.85Å; F526-T529 PolarHBondContact O-N 3.38Å; F526-L530 PolarHBondContact O-N 3.45Å |
| 527 | I | 92.1 | Very high | 92.2 | Very high | 83 Ų | 83 | 61.6 Ų | 61.6 | 43% | 0.426 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -66.2 | -44.3 | 176.8 | -55.8 | 175.1 | 0 | 0 | 0 | 110.2 | F524 T529 L530 I531 L617 | F524-I527 WeakPolarHBondContact O-CB 3.37Å; F524-I527 PolarHBondContact O-N 3.26Å; I527-T529 VanDerWaalsContact C-N 3.34Å; I527-T529 PolarHBondContact O-N 2.97Å; I527-L530 PolarHBondContact O-N 3.46Å; I527-I531 HydrophobicContact CG2-CD1 4.08Å; I527-I531 PolarHBondContact O-N 3.47Å; I527-I531 VanDerWaalsContact O-N 3.15Å; I527-L617 HydrophobicContact CG2-CD2 4.37Å |
| 528 | F | 92 | Very high | 92.3 | Very high | 19 Ų | 19 | 61.5 Ų | 61.5 | 8% | 0.083 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.5 | -44.2 | 173.7 | 175.9 | -99.4 | 0 | 0 | 0 | 111.9 | F524 F525 L530 I531 L532 L580 L617 | F524-F528 PolarHBondContact O-N 3.38Å; F524-F528 VanDerWaalsContact O-N 3.08Å; F525-F528 HydrophobicContact CD2-CD1 4.16Å; F525-F528 AromaticContact CE2-CD1 3.99Å; F525-F528 HydrophobicContact CE2-CD1 3.99Å; F525-F528 HydrophobicContact CE2-CE1 4.4Å; F525-F528 PolarHBondContact O-N 2.8Å; F528-L530 PolarHBondContact O-N 3.07Å; F528-I531 PolarHBondContact O-N 2.93Å; F528-L532 HydrophobicContact CE1-CD2 4.06Å; F528-L532 HydrophobicContact CZ-CD2 4.48Å; F528-L532 VanDerWaalsContact O-CB 3.31Å; F528-L532 WeakPolarHBondContact O-CB 3.42Å; F528-L532 PolarHBondContact O-N 3.12Å; F528-L580 HydrophobicContact CE2-CD1 4.2Å; F528-L580 HydrophobicContact CE2-CD2 4.2Å; F528-L580 HydrophobicContact CZ-CD2 4Å; F528-L617 HydrophobicContact CB-CD1 4.39Å; F528-L617 HydrophobicContact CD2-CD1 3.9Å |
| 529 | T | 91.9 | Very high | 92.4 | Very high | 51 Ų | 51 | 56.9 Ų | 56.9 | 31% | 0.313 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 178.8 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | F525 F526 I527 I531 L532 S533 | F525-T529 WeakPolarHBondContact CE1-OG1 3.48Å; F525-T529 WeakPolarHBondContact O-CB 3.45Å; F525-T529 PolarHBondContact O-N 2.97Å; F525-T529 PolarHBondContact O-OG1 3.08Å; F526-T529 PolarHBondContact O-N 3.38Å; I527-T529 VanDerWaalsContact C-N 3.34Å; I527-T529 PolarHBondContact O-N 2.97Å; T529-I531 VanDerWaalsContact C-N 3.35Å; T529-I531 PolarHBondContact O-N 3.18Å; T529-L532 PolarHBondContact O-N 2.94Å; T529-S533 WeakPolarHBondContact O-CB 3.31Å; T529-S533 PolarHBondContact O-N 2.88Å; T529-S533 PolarHBondContact O-OG 3.33Å; T529-S533 VanDerWaalsContact O-OG 3.14Å |
| 530 | L | 94.1 | Very high | 92.6 | Very high | 107 Ų | 107 | 53.9 Ų | 53.9 | 56% | 0.56 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -59 | -45.7 | 176.7 | -172.5 | 162.1 | 0 | 0 | 0 | 111.6 | F526 I527 F528 S533 S534 | F526-L530 PolarHBondContact O-N 3.45Å; I527-L530 PolarHBondContact O-N 3.46Å; F528-L530 PolarHBondContact O-N 3.07Å; L530-S533 PolarHBondContact O-N 2.97Å; L530-S534 PolarHBondContact O-N 3.41Å |
| 531 | I | 94 | Very high | 92.7 | Very high | 30 Ų | 30 | 58.8 Ų | 58.8 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.1 | -41.7 | 179.3 | -70.7 | 166.8 | 0 | 0 | 0 | 111 | I527 F528 T529 S533 S534 F535 T612 L617 | I527-I531 HydrophobicContact CG2-CD1 4.08Å; I527-I531 PolarHBondContact O-N 3.47Å; I527-I531 VanDerWaalsContact O-N 3.15Å; F528-I531 PolarHBondContact O-N 2.93Å; T529-I531 VanDerWaalsContact C-N 3.35Å; T529-I531 PolarHBondContact O-N 3.18Å; I531-S533 VanDerWaalsContact C-N 3.33Å; I531-S533 PolarHBondContact O-N 3.17Å; I531-S534 PolarHBondContact O-N 3.38Å; I531-S534 PolarHBondContact O-OG 3.05Å; I531-S534 VanDerWaalsContact O-OG 3.05Å; I531-F535 HydrophobicContact CG2-CD2 3.92Å; I531-F535 HydrophobicContact CG2-CE2 4.04Å; I531-F535 WeakPolarHBondContact O-CD2 3.24Å; I531-F535 PolarHBondContact O-N 3.24Å; I531-F535 VanDerWaalsContact O-N 3.15Å; I531-T612 HydrophobicContact CD1-CG2 4.17Å; I531-T612 HydrophobicContact CG2-CG2 3.98Å; I531-L617 HydrophobicContact CD1-CD1 3.82Å; I531-L617 HydrophobicContact CD1-CD2 4.02Å; I531-L617 HydrophobicContact CD1-CG 4.33Å; I531-L617 HydrophobicContact CG2-CD1 4.45Å |
| 532 | L | 94.3 | Very high | 92.7 | Very high | 18 Ų | 18 | 58 Ų | 58 | 9% | 0.094 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 173.2 | -178.2 | 65.9 | 0 | 0 | 0 | 111 | F528 T529 A536 Y573 L576 Y609 | F528-L532 HydrophobicContact CE1-CD2 4.06Å; F528-L532 HydrophobicContact CZ-CD2 4.48Å; F528-L532 VanDerWaalsContact O-CB 3.31Å; F528-L532 WeakPolarHBondContact O-CB 3.42Å; F528-L532 PolarHBondContact O-N 3.12Å; T529-L532 PolarHBondContact O-N 2.94Å; L532-A536 WeakPolarHBondContact O-CB 3.38Å; L532-A536 PolarHBondContact O-N 3.44Å; L532-Y573 HydrophobicContact CD2-CD1 4.05Å; L532-Y573 HydrophobicContact CD2-CE1 4.47Å; L532-Y573 HydrophobicContact CG-CD1 3.9Å; L532-Y573 HydrophobicContact CG-CE1 4.14Å; L532-L576 HydrophobicContact CD1-CB 3.49Å; L532-L576 VanDerWaalsContact CD1-CB 3.49Å; L532-L576 HydrophobicContact CD1-CD1 4.18Å; L532-Y609 HydrophobicContact CD1-CE2 3.98Å |
| 533 | S | 94.5 | Very high | 92.7 | Very high | 31 Ų | 31 | 55.7 Ų | 55.7 | 22% | 0.217 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 177.2 | -70.2 | 0 | 0 | 0 | 0 | 113.6 | T529 L530 I531 A536 I537 Y573 | T529-S533 WeakPolarHBondContact O-CB 3.31Å; T529-S533 PolarHBondContact O-N 2.88Å; T529-S533 PolarHBondContact O-OG 3.33Å; T529-S533 VanDerWaalsContact O-OG 3.14Å; L530-S533 PolarHBondContact O-N 2.97Å; I531-S533 VanDerWaalsContact C-N 3.33Å; I531-S533 PolarHBondContact O-N 3.17Å; S533-A536 PolarHBondContact O-N 2.76Å; S533-I537 WeakPolarHBondContact O-CB 3.4Å; S533-I537 VanDerWaalsContact O-CG1 3.3Å; S533-I537 WeakPolarHBondContact O-CG1 3.28Å; S533-I537 PolarHBondContact O-N 2.62Å; S533-Y573 WeakPolarHBondContact CA-OH 3.34Å; S533-Y573 VanDerWaalsContact CB-OH 3.28Å; S533-Y573 WeakPolarHBondContact CB-OH 3.45Å; S533-Y573 PolarHBondContact OG-OH 3.39Å |
| 534 | S | 95.1 | Very high | 92.7 | Very high | 66 Ų | 66 | 56.3 Ų | 56.3 | 46% | 0.462 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | -178.8 | 65.1 | 0 | 0 | 0 | 0 | 112 | L530 I531 G538 | L530-S534 PolarHBondContact O-N 3.41Å; I531-S534 PolarHBondContact O-N 3.38Å; I531-S534 PolarHBondContact O-OG 3.05Å; I531-S534 VanDerWaalsContact O-OG 3.05Å; S534-G538 PolarHBondContact O-N 2.83Å |
| 535 | F | 94.7 | Very high | 92.4 | Very high | 33 Ų | 33 | 64.1 Ų | 64.1 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.8 | -37.3 | 173.7 | -77.8 | -75.6 | 0 | 0 | 0 | 112.7 | I531 G538 L539 L576 L605 A608 Y609 | I531-F535 HydrophobicContact CG2-CD2 3.92Å; I531-F535 HydrophobicContact CG2-CE2 4.04Å; I531-F535 WeakPolarHBondContact O-CD2 3.24Å; I531-F535 PolarHBondContact O-N 3.24Å; I531-F535 VanDerWaalsContact O-N 3.15Å; F535-G538 PolarHBondContact O-N 3.07Å; F535-L539 WeakPolarHBondContact O-CB 3.45Å; F535-L539 WeakPolarHBondContact O-CG 3.17Å; F535-L539 PolarHBondContact O-N 3.33Å; F535-L576 HydrophobicContact CB-CD1 4.04Å; F535-L605 HydrophobicContact CE1-CD2 4.36Å; F535-L605 WeakPolarHBondContact CE1-O 3.46Å; F535-A608 HydrophobicContact CE1-CB 4.02Å; F535-A608 HydrophobicContact CZ-CB 4.1Å; F535-Y609 HydrophobicContact CB-CD2 3.79Å; F535-Y609 HydrophobicContact CB-CG 4.38Å; F535-Y609 AromaticContact CD2-CD2 3.75Å; F535-Y609 HydrophobicContact CD2-CD2 3.75Å; F535-Y609 HydrophobicContact CD2-CG 4.41Å; F535-Y609 AromaticContact CG-CD2 3.85Å; F535-Y609 HydrophobicContact CG-CD2 3.85Å; F535-Y609 HydrophobicContact CG-CG 4.29Å |
| 536 | A | 94.4 | Very high | 92 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.2 | -47.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L532 S533 V540 S572 Y573 L576 | L532-A536 WeakPolarHBondContact O-CB 3.38Å; L532-A536 PolarHBondContact O-N 3.44Å; S533-A536 PolarHBondContact O-N 2.76Å; A536-V540 WeakPolarHBondContact O-CG2 3.43Å; A536-V540 PolarHBondContact O-N 2.84Å; A536-S572 VanDerWaalsContact CA-OG 3.31Å; A536-S572 WeakPolarHBondContact CA-OG 3.47Å; A536-S572 PolarHBondContact O-OG 3.24Å; A536-Y573 HydrophobicContact CB-CD1 3.85Å; A536-Y573 HydrophobicContact CB-CD2 4.38Å; A536-Y573 HydrophobicContact CB-CE1 3.8Å; A536-Y573 HydrophobicContact CB-CE2 4.32Å; A536-Y573 HydrophobicContact CB-CG 4.13Å; A536-L576 HydrophobicContact CB-CD1 3.91Å |
| 537 | I | 94.7 | Very high | 91.2 | Very high | 97 Ų | 97 | 55.3 Ų | 55.3 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -70 | -40.4 | 178.2 | -64.6 | 167.6 | 0 | 0 | 0 | 110.7 | S533 L539 V540 Q541 | S533-I537 WeakPolarHBondContact O-CB 3.4Å; S533-I537 VanDerWaalsContact O-CG1 3.3Å; S533-I537 WeakPolarHBondContact O-CG1 3.28Å; S533-I537 PolarHBondContact O-N 2.62Å; I537-L539 PolarHBondContact O-N 3.05Å; I537-V540 PolarHBondContact O-N 2.7Å; I537-Q541 WeakPolarHBondContact O-CB 3.45Å; I537-Q541 PolarHBondContact O-N 2.99Å |
| 538 | G | 94.4 | Very high | 89.8 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 32% | 0.32 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | S534 F535 L542 | S534-G538 PolarHBondContact O-N 2.83Å; F535-G538 PolarHBondContact O-N 3.07Å; G538-L542 PolarHBondContact O-N 3.48Å |
| 539 | L | 92.7 | Very high | 88 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71 | -41.5 | 174.6 | -70.6 | 168.8 | 0 | 0 | 0 | 111.5 | F535 I537 Q541 L542 Y543 F566 L576 L605 | F535-L539 WeakPolarHBondContact O-CB 3.45Å; F535-L539 WeakPolarHBondContact O-CG 3.17Å; F535-L539 PolarHBondContact O-N 3.33Å; I537-L539 PolarHBondContact O-N 3.05Å; L539-Q541 VanDerWaalsContact C-N 3.34Å; L539-Q541 PolarHBondContact O-N 2.81Å; L539-L542 WeakPolarHBondContact O-CB 3.46Å; L539-L542 PolarHBondContact O-N 2.68Å; L539-L542 VanDerWaalsContact O-N 3.12Å; L539-Y543 HydrophobicContact CB-CD2 4.45Å; L539-Y543 HydrophobicContact CD2-CD2 4.35Å; L539-Y543 HydrophobicContact CD2-CE2 3.95Å; L539-Y543 VanDerWaalsContact O-CD2 3.31Å; L539-Y543 WeakPolarHBondContact O-CD2 3.26Å; L539-Y543 PolarHBondContact O-N 3.35Å; L539-F566 HydrophobicContact CB-CB 4.38Å; L539-F566 HydrophobicContact CB-CD1 3.92Å; L539-F566 HydrophobicContact CB-CE1 4.47Å; L539-F566 HydrophobicContact CB-CG 4.18Å; L539-F566 HydrophobicContact CD1-CD1 4.02Å; L539-F566 HydrophobicContact CD1-CE1 3.71Å; L539-F566 HydrophobicContact CD1-CZ 4.16Å; L539-L576 HydrophobicContact CD1-CD1 4.22Å; L539-L576 HydrophobicContact CD1-CD2 3.87Å; L539-L576 HydrophobicContact CD1-CG 4.39Å; L539-L605 HydrophobicContact CD2-CB 3.86Å; L539-L605 HydrophobicContact CD2-CD1 4.27Å |
| 540 | V | 92.7 | Very high | 86 | Confident | 12 Ų | 12 | 69.6 Ų | 69.6 | 7% | 0.073 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59 | -45.6 | 174.2 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | A536 I537 L542 Y543 W544 F566 I569 S572 | A536-V540 WeakPolarHBondContact O-CG2 3.43Å; A536-V540 PolarHBondContact O-N 2.84Å; I537-V540 PolarHBondContact O-N 2.7Å; V540-L542 PolarHBondContact O-N 3.47Å; V540-L542 VanDerWaalsContact O-N 3.17Å; V540-Y543 PolarHBondContact O-N 2.95Å; V540-W544 HydrophobicContact CG1-CE3 4.04Å; V540-W544 WeakPolarHBondContact O-CB 3.49Å; V540-W544 PolarHBondContact O-N 2.98Å; V540-F566 WeakPolarHBondContact CA-O 3.42Å; V540-I569 HydrophobicContact CG1-CG1 4.17Å; V540-I569 HydrophobicContact CG2-CG1 4.41Å; V540-S572 VanDerWaalsContact CG2-CB 3.4Å |
| 541 | Q | 92.3 | Very high | 84 | Confident | 124 Ų | 124 | 72.3 Ų | 72.3 | 58% | 0.579 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.9 | -24.5 | 179.2 | -173.7 | 55.6 | 77.6 | 0 | 0 | 113.3 | I537 L539 | I537-Q541 WeakPolarHBondContact O-CB 3.45Å; I537-Q541 PolarHBondContact O-N 2.99Å; L539-Q541 VanDerWaalsContact C-N 3.34Å; L539-Q541 PolarHBondContact O-N 2.81Å |
| 542 | L | 91.5 | Very high | 81.8 | Confident | 37 Ų | 37 | 76.2 Ų | 76.2 | 19% | 0.194 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -83.8 | -41.2 | 174.3 | -174.2 | 68.5 | 0 | 0 | 0 | 112.7 | G538 L539 V540 T598 T601 L605 | G538-L542 PolarHBondContact O-N 3.48Å; L539-L542 WeakPolarHBondContact O-CB 3.46Å; L539-L542 PolarHBondContact O-N 2.68Å; L539-L542 VanDerWaalsContact O-N 3.12Å; V540-L542 PolarHBondContact O-N 3.47Å; V540-L542 VanDerWaalsContact O-N 3.17Å; L542-T598 HydrophobicContact CD1-CG2 3.82Å; L542-T598 HydrophobicContact CD2-CG2 4.4Å; L542-T598 HydrophobicContact CG-CG2 3.89Å; L542-T601 HydrophobicContact CD1-CG2 4.22Å; L542-T601 HydrophobicContact CD2-CG2 4.05Å; L542-L605 HydrophobicContact CD2-CD1 4.28Å |
| 543 | Y | 90.3 | Very high | 80 | Confident | 14 Ų | 14 | 77.9 Ų | 77.9 | 6% | 0.055 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -96.7 | -11.6 | -171.6 | -75.1 | -77.6 | 0 | 0 | 0 | 115 | L539 V540 Y545 Y546 F566 T589 V591 G602 | L539-Y543 HydrophobicContact CB-CD2 4.45Å; L539-Y543 HydrophobicContact CD2-CD2 4.35Å; L539-Y543 HydrophobicContact CD2-CE2 3.95Å; L539-Y543 VanDerWaalsContact O-CD2 3.31Å; L539-Y543 WeakPolarHBondContact O-CD2 3.26Å; L539-Y543 PolarHBondContact O-N 3.35Å; V540-Y543 PolarHBondContact O-N 2.95Å; Y543-Y545 VanDerWaalsContact C-N 3.29Å; Y543-Y545 PolarHBondContact O-N 2.9Å; Y543-Y546 WeakPolarHBondContact O-CA 3.39Å; Y543-Y546 WeakPolarHBondContact O-CB 3.41Å; Y543-Y546 PolarHBondContact O-N 3.08Å; Y543-F566 HydrophobicContact CD2-CB 3.72Å; Y543-F566 AromaticContact CD2-CD2 3.92Å; Y543-F566 HydrophobicContact CD2-CD2 3.92Å; Y543-F566 HydrophobicContact CD2-CG 4.07Å; Y543-F566 HydrophobicContact CE2-CD2 4.01Å; Y543-F566 HydrophobicContact CG-CB 3.88Å; Y543-F566 HydrophobicContact CG-CD2 4.4Å; Y543-T589 VanDerWaalsContact OH-CA 3.31Å; Y543-T589 WeakPolarHBondContact OH-CA 3.5Å; Y543-T589 WeakPolarHBondContact OH-CB 3.33Å; Y543-T589 PolarHBondContact OH-O 2.96Å; Y543-V591 HydrophobicContact CD1-CG2 4.22Å; Y543-V591 HydrophobicContact CE1-CG2 3.7Å; Y543-G602 WeakPolarHBondContact OH-CA 3.36Å |
| 544 | W | 87.8 | Confident | 78.1 | Confident | 140 Ų | 140 | 85.6 Ų | 85.6 | 53% | 0.53 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -50.4 | -44.4 | -178 | 179.7 | -91.2 | 0 | 0 | 0 | 113.7 | V540 Y546 S547 | V540-W544 HydrophobicContact CG1-CE3 4.04Å; V540-W544 WeakPolarHBondContact O-CB 3.49Å; V540-W544 PolarHBondContact O-N 2.98Å; W544-Y546 PolarHBondContact O-N 3.14Å; W544-S547 WeakPolarHBondContact O-CB 3.45Å; W544-S547 PolarHBondContact O-N 2.68Å; W544-S547 PolarHBondContact O-OG 2.84Å |
| 545 | Y | 85.9 | Confident | 76.3 | Confident | 177 Ų | 177 | 90.1 Ų | 90.1 | 69% | 0.694 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -71.1 | -10.2 | -179.4 | -59.6 | -73.7 | 0 | 0 | 0 | 114.3 | Y543 | Y543-Y545 VanDerWaalsContact C-N 3.29Å; Y543-Y545 PolarHBondContact O-N 2.9Å |
| 546 | Y | 82.1 | Confident | 74.5 | Confident | 45 Ų | 45 | 97.2 Ų | 97.2 | 18% | 0.176 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -104.1 | 15.8 | 176.4 | -54.7 | -84 | 0 | 0 | 0 | 111.9 | Y543 W544 T548 V591 E593 H595 T598 | Y543-Y546 WeakPolarHBondContact O-CA 3.39Å; Y543-Y546 WeakPolarHBondContact O-CB 3.41Å; Y543-Y546 PolarHBondContact O-N 3.08Å; W544-Y546 PolarHBondContact O-N 3.14Å; Y546-T548 PolarHBondContact O-N 3.39Å; Y546-V591 HydrophobicContact CD1-CG1 3.34Å; Y546-V591 HydrophobicContact CE1-CG1 3.51Å; Y546-V591 HydrophobicContact CG-CG1 4.04Å; Y546-E593 WeakPolarHBondContact CD1-OE2 3.38Å; Y546-E593 HydrophobicContact CE1-CB 4.49Å; Y546-H595 AromaticContact CE1-ND1 3.42Å; Y546-H595 WeakPolarHBondContact CE1-ND1 3.34Å; Y546-H595 AromaticContact CZ-ND1 3.58Å; Y546-H595 PolarHBondContact OH-ND1 2.79Å; Y546-T598 HydrophobicContact CD2-CG2 4.47Å; Y546-T598 HydrophobicContact CE2-CG2 3.6Å; Y546-T598 PolarHBondContact OH-OG1 3.47Å; Y546-T598 VanDerWaalsContact OH-OG1 3.13Å |
| 547 | S | 74.4 | Confident | 72.9 | Confident | 45 Ų | 45 | 101 Ų | 101 | 32% | 0.315 | 50% | 0.499 | S | S | . | . | trans | -61.9 | 113 | 164.8 | 48.8 | 0 | 0 | 0 | 0 | 109.4 | W544 E549 | W544-S547 WeakPolarHBondContact O-CB 3.45Å; W544-S547 PolarHBondContact O-N 2.68Å; W544-S547 PolarHBondContact O-OG 2.84Å; S547-E549 PolarHBondContact O-N 3Å | ||
| 548 | T | 61.6 | Low | 71 | Confident | 65 Ų | 65 | 104.1 Ų | 104.1 | 40% | 0.399 | 51% | 0.505 | S | S | . | . | trans | -78.8 | 54.6 | -174 | 39.3 | 0 | 0 | 0 | 0 | 112.8 | Y546 R550 | Y546-T548 PolarHBondContact O-N 3.39Å; T548-R550 CarbonylContact O-C 3.36Å; T548-R550 PolarHBondContact O-N 3.49Å | ||
| 549 | E | 54.6 | Low | 69.1 | Low | 174 Ų | 174 | 106 Ų | 106 | 81% | 0.813 | 51% | 0.513 | S | S | * | . | trans | -53.4 | -26.5 | 169.4 | -70.5 | -164.9 | 146.2 | 0 | 0 | 111.9 | S547 H551 | S547-E549 PolarHBondContact O-N 3Å; E549-H551 PolarHBondContact O-N 3.28Å; E549-H551 VanDerWaalsContact O-N 3.11Å | ||
| 550 | R | 49.7 | Very low | 67.2 | Low | 215 Ų | 215 | 111.9 Ų | 111.9 | 81% | 0.811 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -77.8 | 89.5 | 165.5 | -64.7 | -177 | -177.1 | 162.2 | 4 | 109.8 | T548 V552 | T548-R550 CarbonylContact O-C 3.36Å; T548-R550 PolarHBondContact O-N 3.49Å; R550-V552 HydrophobicContact CB-CG2 4.03Å; R550-V552 PolarHBondContact O-N 3.16Å |
| 551 | H | 52.3 | Low | 65.4 | Low | 163 Ų | 163 | 119.8 Ų | 119.8 | 76% | 0.755 | 58% | 0.58 | S | S | * | * | trans | -61.3 | 71.7 | 161 | -65.8 | -83.2 | 0 | 0 | 0 | 111.2 | E549 C553 | E549-H551 PolarHBondContact O-N 3.28Å; E549-H551 VanDerWaalsContact O-N 3.11Å; H551-C553 PolarHBondContact O-N 3.38Å | ||
| 552 | V | 48.3 | Very low | 63.6 | Low | 113 Ų | 113 | 117.5 Ų | 117.5 | 69% | 0.685 | 58% | 0.578 | S | S | * | * | trans | -77.5 | 71.4 | 170.5 | -170.9 | 0 | 0 | 0 | 0 | 107.9 | R550 R554 | R550-V552 HydrophobicContact CB-CG2 4.03Å; R550-V552 PolarHBondContact O-N 3.16Å; V552-R554 PolarHBondContact O-N 3.34Å | ||
| 553 | C | 55.5 | Low | 62 | Low | 52 Ų | 52 | 121.5 Ų | 121.5 | 35% | 0.351 | 60% | 0.604 | S | S | . | * | trans | -59.5 | 100.7 | 175.1 | -60.8 | 0 | 0 | 0 | 0 | 108.7 | H551 K555 C559 | H551-C553 PolarHBondContact O-N 3.38Å; C553-K555 PolarHBondContact O-N 3.38Å; C553-C559 HydrophobicContact CB-CB 4.05Å; C553-C559 WeakPolarHBondContact CB-SG 3.28Å; C553-C559 WeakPolarHBondContact SG-CB 3.27Å; C553-C559 CovalentContact SG-SG 2.04Å; C553-C559 PolarHBondContact SG-SG 3.21Å | ||
| 554 | R | 55.6 | Low | 60.9 | Low | 193 Ų | 193 | 122.7 Ų | 122.7 | 73% | 0.728 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -62.9 | -11.1 | -166.4 | -116.6 | -177.2 | -167.2 | 110.8 | 2.6 | 113.8 | V552 E592 | V552-R554 PolarHBondContact O-N 3.34Å; R554-E592 IonicContact CZ-OE2 3.18Å; R554-E592 VanDerWaalsContact CZ-OE2 3.25Å; R554-E592 VanDerWaalsContact NH1-CD 3.31Å; R554-E592 IonicContact NH1-OE1 2.65Å; R554-E592 PolarHBondContact NH1-OE1 2.84Å; R554-E592 IonicContact NH1-OE2 2.83Å; R554-E592 PolarHBondContact NH1-OE2 3.28Å; R554-E592 IonicContact NH2-OE2 2.68Å; R554-E592 PolarHBondContact NH2-OE2 2.87Å |
| 555 | K | 56.5 | Low | 60.5 | Low | 161 Ų | 161 | 116.7 Ų | 116.7 | 70% | 0.7 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -144.1 | 154.2 | 168.9 | -64.5 | -179.6 | -177.8 | 170.6 | 0 | 109.5 | C553 G557 | C553-K555 PolarHBondContact O-N 3.38Å; K555-G557 PolarHBondContact O-N 3.3Å |
| 556 | L | 57.1 | Low | 60.5 | Low | 182 Ų | 182 | 108.3 Ų | 108.3 | 95% | 0.953 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | 129.9 | 164.6 | -101.5 | 72 | 0 | 0 | 0 | 109.8 | Y558 | L556-Y558 PolarHBondContact O-N 2.99Š|
| 557 | G | 60.2 | Low | 60.6 | Low | 82 Ų | 82 | 107.2 Ų | 107.2 | 85% | 0.845 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.8 | 2.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | K555 | K555-G557 PolarHBondContact O-N 3.3Š|
| 558 | Y | 55.4 | Low | 61.2 | Low | 162 Ų | 162 | 106.5 Ų | 106.5 | 64% | 0.635 | 56% | 0.556 | S | S | * | * | trans | -140 | 90.6 | 170.1 | -141.8 | -88.7 | 0 | 0 | 0 | 110.1 | L556 D560 | L556-Y558 PolarHBondContact O-N 2.99Å; Y558-D560 WeakPolarHBondContact CE1-OD1 3.34Å | ||
| 559 | C | 54.1 | Low | 62.5 | Low | 71 Ų | 71 | 108 Ų | 108 | 48% | 0.48 | 56% | 0.56 | S | S | . | * | trans | -92.2 | 104 | 164.2 | -48.9 | 0 | 0 | 0 | 0 | 105.8 | C553 E561 | C553-C559 HydrophobicContact CB-CB 4.05Å; C553-C559 WeakPolarHBondContact CB-SG 3.28Å; C553-C559 WeakPolarHBondContact SG-CB 3.27Å; C553-C559 CovalentContact SG-SG 2.04Å; C553-C559 PolarHBondContact SG-SG 3.21Å; C559-E561 PolarHBondContact O-N 3.19Å | ||
| 560 | D | 53.1 | Low | 64.3 | Low | 122 Ų | 122 | 103 Ų | 103 | 65% | 0.652 | 55% | 0.545 | S | S | * | . | trans | -62.9 | 121.5 | 166.9 | -87.9 | -56.1 | 0 | 0 | 0 | 107.7 | Y558 S562 | Y558-D560 WeakPolarHBondContact CE1-OD1 3.34Å; D560-S562 PolarHBondContact O-N 3.19Å | ||
| 561 | E | 54.5 | Low | 66.1 | Low | 179 Ų | 179 | 96.1 Ų | 96.1 | 84% | 0.836 | 52% | 0.524 | S | S | * | . | trans | -75.5 | 70.3 | 171.4 | -68.3 | -173.6 | 134 | 0 | 0 | 109.2 | C559 T563 | C559-E561 PolarHBondContact O-N 3.19Å; E561-T563 PolarHBondContact O-N 2.99Å | ||
| 562 | S | 54.6 | Low | 68 | Low | 76 Ų | 76 | 88.4 Ų | 88.4 | 53% | 0.531 | 49% | 0.488 | S | S | . | . | trans | -69 | 68 | 164.9 | 46.4 | 0 | 0 | 0 | 0 | 109.6 | D560 S564 | D560-S562 PolarHBondContact O-N 3.19Å; S562-S564 PolarHBondContact O-N 3.39Å | ||
| 563 | T | 59.5 | Low | 70.1 | Confident | 120 Ų | 120 | 86.3 Ų | 86.3 | 74% | 0.736 | 47% | 0.469 | S | S | * | . | trans | -53.2 | 114.9 | 175.5 | 46 | 0 | 0 | 0 | 0 | 108.8 | E561 A565 | E561-T563 PolarHBondContact O-N 2.99Å; T563-A565 PolarHBondContact O-N 3.18Å | ||
| 564 | S | 67.1 | Low | 71.8 | Confident | 39 Ų | 39 | 88 Ų | 88 | 27% | 0.273 | 47% | 0.473 | S | S | . | . | trans | -72.4 | 93.7 | -173.4 | 35.2 | 0 | 0 | 0 | 0 | 108.4 | S562 F566 S567 | S562-S564 PolarHBondContact O-N 3.39Å; S564-F566 PolarHBondContact O-N 3.32Å; S564-S567 WeakPolarHBondContact O-CB 3.22Å; S564-S567 PolarHBondContact O-N 3.43Å; S564-S567 PolarHBondContact O-OG 3.09Å; S564-S567 VanDerWaalsContact OG-CB 3.3Å; S564-S567 WeakPolarHBondContact OG-CB 3.46Å; S564-S567 PolarHBondContact OG-OG 3.03Å; S564-S567 VanDerWaalsContact OG-OG 3.1Å | ||
| 565 | A | 79.4 | Confident | 73.5 | Confident | 14 Ų | 14 | 79.6 Ų | 79.6 | 12% | 0.116 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -14.4 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | T563 D571 S572 T575 T588 | T563-A565 PolarHBondContact O-N 3.18Å; A565-D571 CarbonylContact O-C 3.2Å; A565-S572 WeakPolarHBondContact O-CA 3.45Å; A565-S572 PolarHBondContact O-N 3.38Å; A565-T575 HydrophobicContact CB-CG2 3.98Å; A565-T575 PolarHBondContact O-OG1 3Å; A565-T588 HydrophobicContact CB-CG2 4.05Å |
| 566 | F | 85.7 | Confident | 75.3 | Confident | 2 Ų | 2 | 72 Ų | 72 | 1% | 0.009 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | 14.2 | 178.1 | -54.3 | -66.3 | 0 | 0 | 0 | 113.2 | L539 V540 Y543 S564 T575 L576 T588 T589 Y606 | L539-F566 HydrophobicContact CB-CB 4.38Å; L539-F566 HydrophobicContact CB-CD1 3.92Å; L539-F566 HydrophobicContact CB-CE1 4.47Å; L539-F566 HydrophobicContact CB-CG 4.18Å; L539-F566 HydrophobicContact CD1-CD1 4.02Å; L539-F566 HydrophobicContact CD1-CE1 3.71Å; L539-F566 HydrophobicContact CD1-CZ 4.16Å; V540-F566 WeakPolarHBondContact CA-O 3.42Å; Y543-F566 HydrophobicContact CD2-CB 3.72Å; Y543-F566 AromaticContact CD2-CD2 3.92Å; Y543-F566 HydrophobicContact CD2-CD2 3.92Å; Y543-F566 HydrophobicContact CD2-CG 4.07Å; Y543-F566 HydrophobicContact CE2-CD2 4.01Å; Y543-F566 HydrophobicContact CG-CB 3.88Å; Y543-F566 HydrophobicContact CG-CD2 4.4Å; S564-F566 PolarHBondContact O-N 3.32Å; F566-T575 HydrophobicContact CE1-CG2 3.72Å; F566-T575 HydrophobicContact CZ-CG2 3.7Å; F566-L576 HydrophobicContact CE1-CD2 4.28Å; F566-L576 HydrophobicContact CE1-CG 4.35Å; F566-T588 WeakPolarHBondContact CE2-O 3.3Å; F566-T589 HydrophobicContact CE2-CG2 3.99Å; F566-Y606 HydrophobicContact CZ-CD2 4.21Å; F566-Y606 HydrophobicContact CZ-CE2 4.31Å |
| 567 | S | 83 | Confident | 76.9 | Confident | 21 Ų | 21 | 67 Ų | 67 | 15% | 0.147 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -42.3 | 177.9 | 59.2 | 0 | 0 | 0 | 0 | 112.6 | S564 | S564-S567 WeakPolarHBondContact O-CB 3.22Å; S564-S567 PolarHBondContact O-N 3.43Å; S564-S567 PolarHBondContact O-OG 3.09Å; S564-S567 VanDerWaalsContact OG-CB 3.3Å; S564-S567 WeakPolarHBondContact OG-CB 3.46Å; S564-S567 PolarHBondContact OG-OG 3.03Å; S564-S567 VanDerWaalsContact OG-OG 3.1Å |
| 568 | S | 86.8 | Confident | 78.4 | Confident | 30 Ų | 30 | 69.4 Ų | 69.4 | 21% | 0.21 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -104.3 | 155.6 | 176.4 | 96.5 | 0 | 0 | 0 | 0 | 112.2 | S570 D571 S572 | S568-S570 PolarHBondContact OG-N 3.47Å; S568-S570 PolarHBondContact OG-OG 2.83Å; S568-D571 VanDerWaalsContact CB-OD2 3.31Å; S568-D571 WeakPolarHBondContact CB-OD2 3.09Å; S568-D571 PolarHBondContact O-N 3.19Å; S568-D571 WeakPolarHBondContact OG-CB 3.5Å; S568-D571 PolarHBondContact OG-N 3.25Å; S568-D571 PolarHBondContact OG-OD2 2.99Å; S568-S572 WeakPolarHBondContact O-CB 3.32Å; S568-S572 PolarHBondContact O-N 2.8Å |
| 569 | I | 90.7 | Very high | 80.1 | Confident | 96 Ų | 96 | 61.8 Ų | 61.8 | 49% | 0.492 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | 177.3 | -63.2 | 174.1 | 0 | 0 | 0 | 110.7 | V540 Y573 | V540-I569 HydrophobicContact CG1-CG1 4.17Å; V540-I569 HydrophobicContact CG2-CG1 4.41Å; I569-Y573 HydrophobicContact CG2-CD2 3.78Å; I569-Y573 HydrophobicContact CG2-CE2 3.57Å; I569-Y573 WeakPolarHBondContact O-CD2 3.38Å; I569-Y573 PolarHBondContact O-N 3.49Å; I569-Y573 VanDerWaalsContact O-N 3.09Å |
| 570 | S | 91 | Very high | 81.8 | Confident | 71 Ų | 71 | 61 Ų | 61 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 177.5 | 33 | 0 | 0 | 0 | 0 | 112.4 | S568 S572 Y573 I574 | S568-S570 PolarHBondContact OG-N 3.47Å; S568-S570 PolarHBondContact OG-OG 2.83Å; S570-S572 VanDerWaalsContact C-N 3.34Å; S570-S572 PolarHBondContact O-N 3.31Å; S570-Y573 PolarHBondContact O-N 3.1Å; S570-I574 WeakPolarHBondContact O-CB 3.32Å; S570-I574 VanDerWaalsContact O-CG1 3.27Å; S570-I574 WeakPolarHBondContact O-CG1 3.18Å; S570-I574 PolarHBondContact O-N 3.38Å |
| 571 | D | 87.9 | Confident | 83.6 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.2 | -34.3 | -176.6 | -55.5 | -41.2 | 0 | 0 | 0 | 111.1 | A565 S568 I574 T575 | A565-D571 CarbonylContact O-C 3.2Å; S568-D571 VanDerWaalsContact CB-OD2 3.31Å; S568-D571 WeakPolarHBondContact CB-OD2 3.09Å; S568-D571 PolarHBondContact O-N 3.19Å; S568-D571 WeakPolarHBondContact OG-CB 3.5Å; S568-D571 PolarHBondContact OG-N 3.25Å; S568-D571 PolarHBondContact OG-OD2 2.99Å; D571-I574 PolarHBondContact O-N 3.18Å; D571-T575 WeakPolarHBondContact O-CB 3.22Å; D571-T575 PolarHBondContact O-N 3.37Å; D571-T575 PolarHBondContact O-OG1 2.99Å |
| 572 | S | 91.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 171.6 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | A536 V540 A565 S568 S570 T575 L576 | A536-S572 VanDerWaalsContact CA-OG 3.31Å; A536-S572 WeakPolarHBondContact CA-OG 3.47Å; A536-S572 PolarHBondContact O-OG 3.24Å; V540-S572 VanDerWaalsContact CG2-CB 3.4Å; A565-S572 WeakPolarHBondContact O-CA 3.45Å; A565-S572 PolarHBondContact O-N 3.38Å; S568-S572 WeakPolarHBondContact O-CB 3.32Å; S568-S572 PolarHBondContact O-N 2.8Å; S570-S572 VanDerWaalsContact C-N 3.34Å; S570-S572 PolarHBondContact O-N 3.31Å; S572-T575 PolarHBondContact O-N 3.43Å; S572-L576 WeakPolarHBondContact O-CB 3.3Å; S572-L576 WeakPolarHBondContact O-CG 3.48Å; S572-L576 PolarHBondContact O-N 3.43Å |
| 573 | Y | 93.2 | Very high | 86.8 | Confident | 70 Ų | 70 | 57.9 Ų | 57.9 | 28% | 0.275 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 174.2 | -84.6 | -66.3 | 0 | 0 | 0 | 112.4 | L532 S533 A536 I569 S570 L577 | L532-Y573 HydrophobicContact CD2-CD1 4.05Å; L532-Y573 HydrophobicContact CD2-CE1 4.47Å; L532-Y573 HydrophobicContact CG-CD1 3.9Å; L532-Y573 HydrophobicContact CG-CE1 4.14Å; S533-Y573 WeakPolarHBondContact CA-OH 3.34Å; S533-Y573 VanDerWaalsContact CB-OH 3.28Å; S533-Y573 WeakPolarHBondContact CB-OH 3.45Å; S533-Y573 PolarHBondContact OG-OH 3.39Å; A536-Y573 HydrophobicContact CB-CD1 3.85Å; A536-Y573 HydrophobicContact CB-CD2 4.38Å; A536-Y573 HydrophobicContact CB-CE1 3.8Å; A536-Y573 HydrophobicContact CB-CE2 4.32Å; A536-Y573 HydrophobicContact CB-CG 4.13Å; I569-Y573 HydrophobicContact CG2-CD2 3.78Å; I569-Y573 HydrophobicContact CG2-CE2 3.57Å; I569-Y573 WeakPolarHBondContact O-CD2 3.38Å; I569-Y573 PolarHBondContact O-N 3.49Å; I569-Y573 VanDerWaalsContact O-N 3.09Å; S570-Y573 PolarHBondContact O-N 3.1Å; Y573-L577 VanDerWaalsContact O-CB 3.29Å; Y573-L577 WeakPolarHBondContact O-CB 3.22Å; Y573-L577 PolarHBondContact O-N 3.12Å |
| 574 | I | 91.7 | Very high | 87.9 | Confident | 86 Ų | 86 | 53.6 Ų | 53.6 | 44% | 0.441 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | -179.8 | -70.4 | 166 | 0 | 0 | 0 | 110.6 | S570 D571 L577 W578 | S570-I574 WeakPolarHBondContact O-CB 3.32Å; S570-I574 VanDerWaalsContact O-CG1 3.27Å; S570-I574 WeakPolarHBondContact O-CG1 3.18Å; S570-I574 PolarHBondContact O-N 3.38Å; D571-I574 PolarHBondContact O-N 3.18Å; I574-L577 PolarHBondContact O-N 3.13Å; I574-W578 PolarHBondContact O-N 3Å |
| 575 | T | 91.5 | Very high | 88.6 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 177.7 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | A565 F566 D571 S572 L577 W578 S579 T584 | A565-T575 HydrophobicContact CB-CG2 3.98Å; A565-T575 PolarHBondContact O-OG1 3Å; F566-T575 HydrophobicContact CE1-CG2 3.72Å; F566-T575 HydrophobicContact CZ-CG2 3.7Å; D571-T575 WeakPolarHBondContact O-CB 3.22Å; D571-T575 PolarHBondContact O-N 3.37Å; D571-T575 PolarHBondContact O-OG1 2.99Å; S572-T575 PolarHBondContact O-N 3.43Å; T575-L577 VanDerWaalsContact C-N 3.32Å; T575-L577 PolarHBondContact O-N 3.08Å; T575-W578 PolarHBondContact O-N 3.44Å; T575-S579 WeakPolarHBondContact O-CB 3.47Å; T575-S579 PolarHBondContact O-N 3.47Å; T575-T584 HydrophobicContact CG2-CG2 4.03Å |
| 576 | L | 92.7 | Very high | 88.5 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.4 | -30.8 | 177.3 | -70.5 | 180 | 0 | 0 | 0 | 113.1 | L532 F535 A536 L539 F566 S572 S579 L580 Y606 Y609 | L532-L576 HydrophobicContact CD1-CB 3.49Å; L532-L576 VanDerWaalsContact CD1-CB 3.49Å; L532-L576 HydrophobicContact CD1-CD1 4.18Å; F535-L576 HydrophobicContact CB-CD1 4.04Å; A536-L576 HydrophobicContact CB-CD1 3.91Å; L539-L576 HydrophobicContact CD1-CD1 4.22Å; L539-L576 HydrophobicContact CD1-CD2 3.87Å; L539-L576 HydrophobicContact CD1-CG 4.39Å; F566-L576 HydrophobicContact CE1-CD2 4.28Å; F566-L576 HydrophobicContact CE1-CG 4.35Å; S572-L576 WeakPolarHBondContact O-CB 3.3Å; S572-L576 WeakPolarHBondContact O-CG 3.48Å; S572-L576 PolarHBondContact O-N 3.43Å; L576-S579 PolarHBondContact O-OG 3.33Å; L576-L580 PolarHBondContact O-N 2.91Å; L576-Y606 HydrophobicContact CD2-CD2 4.16Å; L576-Y606 HydrophobicContact CD2-CE2 4.32Å; L576-Y609 HydrophobicContact CB-CE1 4.35Å; L576-Y609 HydrophobicContact CB-CE2 4.41Å; L576-Y609 HydrophobicContact CD1-CE2 4.46Å; L576-Y609 HydrophobicContact CD2-CD1 3.82Å; L576-Y609 HydrophobicContact CD2-CD2 4.37Å; L576-Y609 HydrophobicContact CD2-CE1 3.94Å; L576-Y609 HydrophobicContact CD2-CE2 4.47Å; L576-Y609 HydrophobicContact CD2-CG 4.04Å; L576-Y609 PolarHBondContact O-OH 3.11Å |
| 577 | L | 92.1 | Very high | 88.3 | Confident | 79 Ų | 79 | 69.1 Ų | 69.1 | 41% | 0.414 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.8 | -45.6 | 173.8 | -175.1 | 66 | 0 | 0 | 0 | 111.6 | Y573 I574 T575 S579 L580 | Y573-L577 VanDerWaalsContact O-CB 3.29Å; Y573-L577 WeakPolarHBondContact O-CB 3.22Å; Y573-L577 PolarHBondContact O-N 3.12Å; I574-L577 PolarHBondContact O-N 3.13Å; T575-L577 VanDerWaalsContact C-N 3.32Å; T575-L577 PolarHBondContact O-N 3.08Å; L577-S579 VanDerWaalsContact C-N 3.3Å; L577-S579 PolarHBondContact O-N 2.88Å; L577-L580 WeakPolarHBondContact O-CB 3.43Å; L577-L580 PolarHBondContact O-N 3.11Å |
| 578 | W | 91.2 | Very high | 88.2 | Confident | 132 Ų | 132 | 70.3 Ų | 70.3 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -69.2 | -27.1 | 175.7 | -72.9 | 125.7 | 0 | 0 | 0 | 113.3 | I574 T575 L580 F581 I583 T584 | I574-W578 PolarHBondContact O-N 3Å; T575-W578 PolarHBondContact O-N 3.44Å; W578-L580 VanDerWaalsContact C-N 3.28Å; W578-L580 PolarHBondContact O-N 3.15Å; W578-F581 HydrophobicContact CE3-CD2 4.24Å; W578-F581 PolarHBondContact O-N 3.16Å; W578-F581 VanDerWaalsContact O-N 3.17Å; W578-I583 HydrophobicContact CE3-CD1 3.88Å; W578-I583 HydrophobicContact CZ3-CD1 4.17Å; W578-I583 PolarHBondContact O-N 3.3Å; W578-T584 HydrophobicContact CB-CG2 3.85Å |
| 579 | S | 91 | Very high | 88 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.007 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.4 | -29.4 | 176.3 | 84.9 | 0 | 0 | 0 | 0 | 112.7 | T575 L576 L577 F581 G582 T584 Y609 H610 | T575-S579 WeakPolarHBondContact O-CB 3.47Å; T575-S579 PolarHBondContact O-N 3.47Å; L576-S579 PolarHBondContact O-OG 3.33Å; L577-S579 VanDerWaalsContact C-N 3.3Å; L577-S579 PolarHBondContact O-N 2.88Å; S579-F581 PolarHBondContact O-N 2.84Å; S579-G582 PolarHBondContact O-N 3.48Å; S579-T584 WeakPolarHBondContact CA-OG1 3.24Å; S579-T584 WeakPolarHBondContact CB-OG1 3.25Å; S579-Y609 VanDerWaalsContact OG-CE1 3.3Å; S579-Y609 WeakPolarHBondContact OG-CE1 2.83Å; S579-H610 PolarHBondContact O-CE1 2.93Å; S579-H610 PolarHBondContact OG-CE1 3.22Å; S579-H610 VanDerWaalsContact OG-CE1 3.3Å |
| 580 | L | 90.5 | Very high | 87.6 | Confident | 54 Ų | 54 | 67.8 Ų | 67.8 | 28% | 0.283 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -29.4 | 173.2 | -167.5 | 73.5 | 0 | 0 | 0 | 112.5 | F528 L576 L577 W578 I614 | F528-L580 HydrophobicContact CE2-CD1 4.2Å; F528-L580 HydrophobicContact CE2-CD2 4.2Å; F528-L580 HydrophobicContact CZ-CD2 4Å; L576-L580 PolarHBondContact O-N 2.91Å; L577-L580 WeakPolarHBondContact O-CB 3.43Å; L577-L580 PolarHBondContact O-N 3.11Å; W578-L580 VanDerWaalsContact C-N 3.28Å; W578-L580 PolarHBondContact O-N 3.15Å; L580-I614 HydrophobicContact CD1-CG1 3.98Å |
| 581 | F | 90 | Very high | 87.1 | Confident | 139 Ų | 139 | 65.3 Ų | 65.3 | 61% | 0.61 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 5.6 | 177.2 | -59.4 | -74.8 | 0 | 0 | 0 | 113.4 | W578 S579 I583 | W578-F581 HydrophobicContact CE3-CD2 4.24Å; W578-F581 PolarHBondContact O-N 3.16Å; W578-F581 VanDerWaalsContact O-N 3.17Å; S579-F581 PolarHBondContact O-N 2.84Å; F581-I583 VanDerWaalsContact C-N 3.28Å; F581-I583 HydrophobicContact CB-CD1 4.08Å; F581-I583 HydrophobicContact CB-CG1 4.14Å; F581-I583 PolarHBondContact O-N 2.93Å |
| 582 | G | 87.3 | Confident | 86.6 | Confident | 64 Ų | 64 | 67.6 Ų | 67.6 | 66% | 0.66 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | 14.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | S579 | S579-G582 PolarHBondContact O-N 3.48Š|
| 583 | I | 88.1 | Confident | 86 | Confident | 109 Ų | 109 | 71.8 Ų | 71.8 | 56% | 0.559 | 37% | 0.369 | S | S | * | . | trans | -81.4 | -22 | -173.7 | -64.8 | 177.9 | 0 | 0 | 0 | 112.3 | W578 F581 | W578-I583 HydrophobicContact CE3-CD1 3.88Å; W578-I583 HydrophobicContact CZ3-CD1 4.17Å; W578-I583 PolarHBondContact O-N 3.3Å; F581-I583 VanDerWaalsContact C-N 3.28Å; F581-I583 HydrophobicContact CB-CD1 4.08Å; F581-I583 HydrophobicContact CB-CG1 4.14Å; F581-I583 PolarHBondContact O-N 2.93Å | ||
| 584 | T | 83.6 | Confident | 85.4 | Confident | 30 Ų | 30 | 77 Ų | 77 | 18% | 0.184 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -93.3 | 125.3 | -176.2 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | T575 W578 S579 Y606 | T575-T584 HydrophobicContact CG2-CG2 4.03Å; W578-T584 HydrophobicContact CB-CG2 3.85Å; S579-T584 WeakPolarHBondContact CA-OG1 3.24Å; S579-T584 WeakPolarHBondContact CB-OG1 3.25Å; T584-Y606 PolarHBondContact O-OH 3.09Å; T584-Y606 PolarHBondContact OG1-OH 3.48Å |
| 585 | N | 80.8 | Confident | 85.2 | Confident | 121 Ų | 121 | 77.3 Ų | 77.3 | 65% | 0.647 | 40% | 0.395 | S | S | * | . | trans | -67.3 | 144.1 | 177.2 | -68.1 | -64.6 | 0 | 0 | 0 | 112.4 | K587 T588 | N585-K587 PolarHBondContact O-N 3.48Å; N585-K587 VanDerWaalsContact O-N 3.13Å; N585-T588 PolarHBondContact O-N 2.86Å; N585-T588 PolarHBondContact O-OG1 3.46Å | ||
| 586 | T | 78.7 | Confident | 85.1 | Confident | 102 Ų | 102 | 82.6 Ų | 82.6 | 63% | 0.626 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -57.7 | -27.1 | 174.8 | 48.2 | 0 | 0 | 0 | 0 | 113.8 | T588 T589 | T586-T588 PolarHBondContact O-N 3.33Å; T586-T589 PolarHBondContact O-N 3.27Å; T586-T589 PolarHBondContact O-OG1 2.91Å |
| 587 | K | 80.8 | Confident | 85 | Confident | 159 Ų | 159 | 89.3 Ų | 89.3 | 69% | 0.691 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -58.1 | -16.9 | 177.3 | -62.8 | -173.6 | 179.1 | -176.5 | 0 | 114.5 | N585 T589 D590 | N585-K587 PolarHBondContact O-N 3.48Å; N585-K587 VanDerWaalsContact O-N 3.13Å; K587-T589 PolarHBondContact O-N 2.96Å; K587-D590 WeakPolarHBondContact O-CB 3.19Å; K587-D590 PolarHBondContact O-N 3.24Å; K587-D590 VanDerWaalsContact O-N 3.14Å |
| 588 | T | 81 | Confident | 84.9 | Confident | 45 Ų | 45 | 86.8 Ų | 86.8 | 28% | 0.276 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -68 | -11.2 | 173.7 | 59.7 | 0 | 0 | 0 | 0 | 113.5 | A565 F566 N585 T586 | A565-T588 HydrophobicContact CB-CG2 4.05Å; F566-T588 WeakPolarHBondContact CE2-O 3.3Å; N585-T588 PolarHBondContact O-N 2.86Å; N585-T588 PolarHBondContact O-OG1 3.46Å; T586-T588 PolarHBondContact O-N 3.33Å |
| 589 | T | 82.8 | Confident | 84.8 | Confident | 2 Ų | 2 | 81.9 Ų | 81.9 | 1% | 0.012 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -94.6 | -4.2 | 173.4 | 61.8 | 0 | 0 | 0 | 0 | 113.6 | Y543 F566 T586 K587 R603 Y606 | Y543-T589 VanDerWaalsContact OH-CA 3.31Å; Y543-T589 WeakPolarHBondContact OH-CA 3.5Å; Y543-T589 WeakPolarHBondContact OH-CB 3.33Å; Y543-T589 PolarHBondContact OH-O 2.96Å; F566-T589 HydrophobicContact CE2-CG2 3.99Å; T586-T589 PolarHBondContact O-N 3.27Å; T586-T589 PolarHBondContact O-OG1 2.91Å; K587-T589 PolarHBondContact O-N 2.96Å; T589-R603 VanDerWaalsContact OG1-CG 3.25Å; T589-R603 WeakPolarHBondContact OG1-CG 3.47Å; T589-Y606 HydrophobicContact CG2-CD1 4.11Å; T589-Y606 HydrophobicContact CG2-CG 3.98Å |
| 590 | D | 82.3 | Confident | 84.8 | Confident | 71 Ų | 71 | 89.8 Ų | 89.8 | 38% | 0.38 | 45% | 0.453 | S | S | . | . | trans | -82.3 | 150.4 | 179.8 | -60.2 | -20 | 0 | 0 | 0 | 110.7 | K587 R603 | K587-D590 WeakPolarHBondContact O-CB 3.19Å; K587-D590 PolarHBondContact O-N 3.24Å; K587-D590 VanDerWaalsContact O-N 3.14Å; D590-R603 IonicContact OD1-CZ 3.63Å; D590-R603 IonicContact OD1-NE 3.6Å; D590-R603 PolarHBondContact OD1-NE 2.77Å; D590-R603 IonicContact OD1-NH2 2.75Å; D590-R603 PolarHBondContact OD1-NH2 3.12Å | ||
| 591 | V | 80.8 | Confident | 85 | Confident | 20 Ų | 20 | 90.1 Ų | 90.1 | 12% | 0.121 | 46% | 0.458 | C | S | . | . | trans | -124.2 | 143.3 | -175.4 | 175.4 | 0 | 0 | 0 | 0 | 108.1 | Y543 Y546 E593 Q599 | Y543-V591 HydrophobicContact CD1-CG2 4.22Å; Y543-V591 HydrophobicContact CE1-CG2 3.7Å; Y546-V591 HydrophobicContact CD1-CG1 3.34Å; Y546-V591 HydrophobicContact CE1-CG1 3.51Å; Y546-V591 HydrophobicContact CG-CG1 4.04Å; V591-E593 HydrophobicContact CG1-CB 4.08Å; V591-E593 VanDerWaalsContact CG1-OE2 3.24Å; V591-E593 WeakPolarHBondContact CG1-OE2 3.49Å; V591-Q599 HydrophobicContact CB-CG 3.91Å; V591-Q599 HydrophobicContact CG2-CG 3.98Å; V591-Q599 PolarHBondContact O-NE2 3.4Å | ||
| 592 | E | 76.7 | Confident | 85.1 | Confident | 118 Ų | 118 | 83.5 Ų | 83.5 | 55% | 0.551 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -69.2 | -37 | 179.3 | -77.5 | -138.1 | -162.6 | 0 | 0 | 112.5 | R554 | R554-E592 IonicContact CZ-OE2 3.18Å; R554-E592 VanDerWaalsContact CZ-OE2 3.25Å; R554-E592 VanDerWaalsContact NH1-CD 3.31Å; R554-E592 IonicContact NH1-OE1 2.65Å; R554-E592 PolarHBondContact NH1-OE1 2.84Å; R554-E592 IonicContact NH1-OE2 2.83Å; R554-E592 PolarHBondContact NH1-OE2 3.28Å; R554-E592 IonicContact NH2-OE2 2.68Å; R554-E592 PolarHBondContact NH2-OE2 2.87Å |
| 593 | E | 79.4 | Confident | 85.3 | Confident | 88 Ų | 88 | 84.1 Ų | 84.1 | 41% | 0.411 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -68.3 | 146.8 | 171.7 | -64.1 | 78 | -175.5 | 0 | 0 | 112.2 | Y546 V591 H595 Q599 | Y546-E593 WeakPolarHBondContact CD1-OE2 3.38Å; Y546-E593 HydrophobicContact CE1-CB 4.49Å; V591-E593 HydrophobicContact CG1-CB 4.08Å; V591-E593 VanDerWaalsContact CG1-OE2 3.24Å; V591-E593 WeakPolarHBondContact CG1-OE2 3.49Å; E593-H595 PolarHBondContact O-N 3.28Å; E593-Q599 PolarHBondContact O-NE2 2.8Å |
| 594 | H | 81.3 | Confident | 85.5 | Confident | 180 Ų | 180 | 81.6 Ų | 81.6 | 83% | 0.833 | 41% | 0.406 | S | S | * | . | trans | -72.1 | 40.4 | 176.6 | -62.3 | -61.2 | 0 | 0 | 0 | 113.7 | E596 | H594-E596 VanDerWaalsContact C-N 3.32Å; H594-E596 PolarHBondContact O-N 3.22Å | ||
| 595 | H | 87.5 | Confident | 86 | Confident | 92 Ų | 92 | 82.8 Ų | 82.8 | 43% | 0.426 | 41% | 0.412 | S | S | . | . | trans | -90.5 | 65.5 | -179.9 | -63.5 | 174.1 | 0 | 0 | 0 | 110.5 | Y546 E593 I597 T598 Q599 | Y546-H595 AromaticContact CE1-ND1 3.42Å; Y546-H595 WeakPolarHBondContact CE1-ND1 3.34Å; Y546-H595 AromaticContact CZ-ND1 3.58Å; Y546-H595 PolarHBondContact OH-ND1 2.79Å; E593-H595 PolarHBondContact O-N 3.28Å; H595-I597 PolarHBondContact O-N 3.12Å; H595-I597 VanDerWaalsContact O-N 3.14Å; H595-T598 WeakPolarHBondContact O-CB 3.42Å; H595-T598 PolarHBondContact O-N 3.22Å; H595-Q599 PolarHBondContact O-N 3.37Å; H595-Q599 VanDerWaalsContact O-N 3.13Å | ||
| 596 | E | 87.8 | Confident | 86.5 | Confident | 129 Ų | 129 | 77.7 Ų | 77.7 | 60% | 0.603 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -52.7 | -38.6 | -174.8 | -63.4 | -170.5 | 173.8 | 0 | 0 | 113 | H594 T598 Q599 W600 | H594-E596 VanDerWaalsContact C-N 3.32Å; H594-E596 PolarHBondContact O-N 3.22Å; E596-T598 VanDerWaalsContact C-N 3.32Å; E596-T598 PolarHBondContact O-N 2.68Å; E596-Q599 PolarHBondContact O-N 2.96Å; E596-W600 WeakPolarHBondContact O-CB 3.38Å; E596-W600 PolarHBondContact O-N 3.3Å |
| 597 | I | 90.3 | Very high | 87.2 | Confident | 141 Ų | 141 | 77.8 Ų | 77.8 | 72% | 0.723 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.3 | -41.8 | 178.6 | -59.7 | 174.7 | 0 | 0 | 0 | 111.1 | H595 T601 | H595-I597 PolarHBondContact O-N 3.12Å; H595-I597 VanDerWaalsContact O-N 3.14Å; I597-T601 WeakPolarHBondContact O-CB 3.29Å; I597-T601 PolarHBondContact O-N 3.19Å; I597-T601 PolarHBondContact O-OG1 3.37Å |
| 598 | T | 90.2 | Very high | 87.8 | Confident | 25 Ų | 25 | 72.1 Ų | 72.1 | 15% | 0.153 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66 | -46.7 | 175.2 | -57.5 | 0 | 0 | 0 | 0 | 110.6 | L542 Y546 H595 E596 W600 T601 G602 | L542-T598 HydrophobicContact CD1-CG2 3.82Å; L542-T598 HydrophobicContact CD2-CG2 4.4Å; L542-T598 HydrophobicContact CG-CG2 3.89Å; Y546-T598 HydrophobicContact CD2-CG2 4.47Å; Y546-T598 HydrophobicContact CE2-CG2 3.6Å; Y546-T598 PolarHBondContact OH-OG1 3.47Å; Y546-T598 VanDerWaalsContact OH-OG1 3.13Å; H595-T598 WeakPolarHBondContact O-CB 3.42Å; H595-T598 PolarHBondContact O-N 3.22Å; E596-T598 VanDerWaalsContact C-N 3.32Å; E596-T598 PolarHBondContact O-N 2.68Å; T598-W600 PolarHBondContact O-N 3.17Å; T598-T601 PolarHBondContact O-N 3.26Å; T598-G602 PolarHBondContact O-N 3.46Å |
| 599 | Q | 89.5 | Confident | 88.5 | Confident | 29 Ų | 29 | 70 Ų | 70 | 14% | 0.136 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 178.5 | -63.1 | -175.9 | 12 | 0 | 0 | 111.8 | V591 E593 H595 E596 T601 G602 R603 | V591-Q599 HydrophobicContact CB-CG 3.91Å; V591-Q599 HydrophobicContact CG2-CG 3.98Å; V591-Q599 PolarHBondContact O-NE2 3.4Å; E593-Q599 PolarHBondContact O-NE2 2.8Å; H595-Q599 PolarHBondContact O-N 3.37Å; H595-Q599 VanDerWaalsContact O-N 3.13Å; E596-Q599 PolarHBondContact O-N 2.96Å; Q599-T601 PolarHBondContact O-N 2.99Å; Q599-G602 PolarHBondContact O-N 2.92Å; Q599-R603 VanDerWaalsContact O-CB 3.28Å; Q599-R603 WeakPolarHBondContact O-CB 3.44Å; Q599-R603 WeakPolarHBondContact O-CG 3.46Å; Q599-R603 PolarHBondContact O-N 3.26Å |
| 600 | W | 91.9 | Very high | 89 | Confident | 168 Ų | 168 | 71.8 Ų | 71.8 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.4 | -41.4 | 174.9 | -82.3 | 113.4 | 0 | 0 | 0 | 112.2 | E596 T598 A604 | E596-W600 WeakPolarHBondContact O-CB 3.38Å; E596-W600 PolarHBondContact O-N 3.3Å; T598-W600 PolarHBondContact O-N 3.17Å; W600-A604 WeakPolarHBondContact O-CB 3.48Å; W600-A604 PolarHBondContact O-N 2.78Å |
| 601 | T | 93.3 | Very high | 89.5 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 37% | 0.374 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 177.2 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | L542 I597 T598 Q599 A604 L605 | L542-T601 HydrophobicContact CD1-CG2 4.22Å; L542-T601 HydrophobicContact CD2-CG2 4.05Å; I597-T601 WeakPolarHBondContact O-CB 3.29Å; I597-T601 PolarHBondContact O-N 3.19Å; I597-T601 PolarHBondContact O-OG1 3.37Å; T598-T601 PolarHBondContact O-N 3.26Å; Q599-T601 PolarHBondContact O-N 2.99Å; T601-A604 PolarHBondContact O-N 2.95Å; T601-L605 HydrophobicContact CG2-CD1 4.28Å; T601-L605 WeakPolarHBondContact O-CG 3.25Å; T601-L605 PolarHBondContact O-N 3.43Å |
| 602 | G | 92 | Very high | 90.1 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.8 | -42.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y543 T598 Q599 A604 L605 Y606 | Y543-G602 WeakPolarHBondContact OH-CA 3.36Å; T598-G602 PolarHBondContact O-N 3.46Å; Q599-G602 PolarHBondContact O-N 2.92Å; G602-A604 VanDerWaalsContact C-N 3.34Å; G602-A604 PolarHBondContact O-N 3.48Å; G602-L605 PolarHBondContact O-N 3.31Å; G602-Y606 VanDerWaalsContact O-CB 3.28Å; G602-Y606 WeakPolarHBondContact O-CB 3.35Å; G602-Y606 PolarHBondContact O-N 3.31Å |
| 603 | R | 91.9 | Very high | 90.8 | Very high | 76 Ų | 76 | 67.3 Ų | 67.3 | 29% | 0.287 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.3 | -43.6 | 170.3 | -72.6 | 169.1 | -179.2 | 168.3 | 2.2 | 111.5 | T589 D590 Q599 Y606 I607 | T589-R603 VanDerWaalsContact OG1-CG 3.25Å; T589-R603 WeakPolarHBondContact OG1-CG 3.47Å; D590-R603 IonicContact OD1-CZ 3.63Å; D590-R603 IonicContact OD1-NE 3.6Å; D590-R603 PolarHBondContact OD1-NE 2.77Å; D590-R603 IonicContact OD1-NH2 2.75Å; D590-R603 PolarHBondContact OD1-NH2 3.12Å; Q599-R603 VanDerWaalsContact O-CB 3.28Å; Q599-R603 WeakPolarHBondContact O-CB 3.44Å; Q599-R603 WeakPolarHBondContact O-CG 3.46Å; Q599-R603 PolarHBondContact O-N 3.26Å; R603-Y606 PolarHBondContact O-N 2.8Å; R603-I607 WeakPolarHBondContact O-CB 3.37Å; R603-I607 WeakPolarHBondContact O-CD1 3.18Å; R603-I607 WeakPolarHBondContact O-CG1 3.07Å; R603-I607 PolarHBondContact O-N 3.11Å |
| 604 | A | 93.4 | Very high | 91.4 | Very high | 56 Ų | 56 | 66 Ų | 66 | 46% | 0.463 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | W600 T601 G602 I607 A608 | W600-A604 WeakPolarHBondContact O-CB 3.48Å; W600-A604 PolarHBondContact O-N 2.78Å; T601-A604 PolarHBondContact O-N 2.95Å; G602-A604 VanDerWaalsContact C-N 3.34Å; G602-A604 PolarHBondContact O-N 3.48Å; A604-I607 PolarHBondContact O-N 3.01Å; A604-A608 VanDerWaalsContact O-CB 3.32Å; A604-A608 WeakPolarHBondContact O-CB 3.29Å; A604-A608 PolarHBondContact O-N 2.85Å |
| 605 | L | 93.6 | Very high | 91.9 | Very high | 56 Ų | 56 | 62.3 Ų | 62.3 | 29% | 0.293 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.8 | -42 | 174.3 | -74.5 | 172.4 | 0 | 0 | 0 | 112 | F535 L539 L542 T601 G602 A608 Y609 | F535-L605 HydrophobicContact CE1-CD2 4.36Å; F535-L605 WeakPolarHBondContact CE1-O 3.46Å; L539-L605 HydrophobicContact CD2-CB 3.86Å; L539-L605 HydrophobicContact CD2-CD1 4.27Å; L542-L605 HydrophobicContact CD2-CD1 4.28Å; T601-L605 HydrophobicContact CG2-CD1 4.28Å; T601-L605 WeakPolarHBondContact O-CG 3.25Å; T601-L605 PolarHBondContact O-N 3.43Å; G602-L605 PolarHBondContact O-N 3.31Å; L605-A608 PolarHBondContact O-N 3.05Å; L605-Y609 PolarHBondContact O-N 3.27Å |
| 606 | Y | 92.3 | Very high | 92.1 | Very high | 13 Ų | 13 | 61 Ų | 61 | 5% | 0.051 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.6 | -40.2 | 177.5 | -175.6 | -110.8 | 0 | 0 | 0 | 112 | F566 L576 T584 T589 G602 R603 Y609 H610 | F566-Y606 HydrophobicContact CZ-CD2 4.21Å; F566-Y606 HydrophobicContact CZ-CE2 4.31Å; L576-Y606 HydrophobicContact CD2-CD2 4.16Å; L576-Y606 HydrophobicContact CD2-CE2 4.32Å; T584-Y606 PolarHBondContact O-OH 3.09Å; T584-Y606 PolarHBondContact OG1-OH 3.48Å; T589-Y606 HydrophobicContact CG2-CD1 4.11Å; T589-Y606 HydrophobicContact CG2-CG 3.98Å; G602-Y606 VanDerWaalsContact O-CB 3.28Å; G602-Y606 WeakPolarHBondContact O-CB 3.35Å; G602-Y606 PolarHBondContact O-N 3.31Å; R603-Y606 PolarHBondContact O-N 2.8Å; Y606-Y609 PolarHBondContact O-N 3.31Å; Y606-H610 AromaticContact CD1-CD2 3.87Å; Y606-H610 AromaticContact CE1-CD2 3.71Å; Y606-H610 AromaticContact CE1-NE2 3.48Å; Y606-H610 WeakPolarHBondContact CE1-NE2 3.47Å; Y606-H610 AromaticContact CE2-NE2 3.47Å; Y606-H610 WeakPolarHBondContact CE2-NE2 3.36Å; Y606-H610 AromaticContact CZ-CD2 3.84Å; Y606-H610 AromaticContact CZ-NE2 3.16Å; Y606-H610 PolarHBondContact O-CD2 2.99Å; Y606-H610 PolarHBondContact O-N 2.93Å; Y606-H610 PolarHBondContact OH-NE2 3.23Å |
| 607 | I | 92.7 | Very high | 92.3 | Very high | 105 Ų | 105 | 55.4 Ų | 55.4 | 54% | 0.538 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 172 | -70 | 164.2 | 0 | 0 | 0 | 110.9 | R603 A604 Y609 H610 V611 | R603-I607 WeakPolarHBondContact O-CB 3.37Å; R603-I607 WeakPolarHBondContact O-CD1 3.18Å; R603-I607 WeakPolarHBondContact O-CG1 3.07Å; R603-I607 PolarHBondContact O-N 3.11Å; A604-I607 PolarHBondContact O-N 3.01Å; I607-Y609 VanDerWaalsContact C-N 3.35Å; I607-Y609 PolarHBondContact O-N 3.42Å; I607-H610 PolarHBondContact O-N 2.88Å; I607-V611 HydrophobicContact CG2-CG2 4.4Å; I607-V611 WeakPolarHBondContact O-CG2 3.42Å; I607-V611 PolarHBondContact O-N 3.46Å |
| 608 | A | 94.2 | Very high | 92.4 | Very high | 40 Ų | 40 | 52.8 Ų | 52.8 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | F535 A604 L605 T612 | F535-A608 HydrophobicContact CE1-CB 4.02Å; F535-A608 HydrophobicContact CZ-CB 4.1Å; A604-A608 VanDerWaalsContact O-CB 3.32Å; A604-A608 WeakPolarHBondContact O-CB 3.29Å; A604-A608 PolarHBondContact O-N 2.85Å; L605-A608 PolarHBondContact O-N 3.05Å; A608-T612 WeakPolarHBondContact O-CB 3.44Å; A608-T612 PolarHBondContact O-N 2.81Å; A608-T612 PolarHBondContact O-OG1 3.47Å |
| 609 | Y | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 169.6 | 170.7 | -95.5 | 0 | 0 | 0 | 111.2 | L532 F535 L576 S579 L605 Y606 I607 T612 S613 | L532-Y609 HydrophobicContact CD1-CE2 3.98Å; F535-Y609 HydrophobicContact CB-CD2 3.79Å; F535-Y609 HydrophobicContact CB-CG 4.38Å; F535-Y609 AromaticContact CD2-CD2 3.75Å; F535-Y609 HydrophobicContact CD2-CD2 3.75Å; F535-Y609 HydrophobicContact CD2-CG 4.41Å; F535-Y609 AromaticContact CG-CD2 3.85Å; F535-Y609 HydrophobicContact CG-CD2 3.85Å; F535-Y609 HydrophobicContact CG-CG 4.29Å; L576-Y609 HydrophobicContact CB-CE1 4.35Å; L576-Y609 HydrophobicContact CB-CE2 4.41Å; L576-Y609 HydrophobicContact CD1-CE2 4.46Å; L576-Y609 HydrophobicContact CD2-CD1 3.82Å; L576-Y609 HydrophobicContact CD2-CD2 4.37Å; L576-Y609 HydrophobicContact CD2-CE1 3.94Å; L576-Y609 HydrophobicContact CD2-CE2 4.47Å; L576-Y609 HydrophobicContact CD2-CG 4.04Å; L576-Y609 PolarHBondContact O-OH 3.11Å; S579-Y609 VanDerWaalsContact OG-CE1 3.3Å; S579-Y609 WeakPolarHBondContact OG-CE1 2.83Å; L605-Y609 PolarHBondContact O-N 3.27Å; Y606-Y609 PolarHBondContact O-N 3.31Å; I607-Y609 VanDerWaalsContact C-N 3.35Å; I607-Y609 PolarHBondContact O-N 3.42Å; Y609-T612 PolarHBondContact O-N 3.33Å; Y609-S613 WeakPolarHBondContact CD2-OG 3.3Å; Y609-S613 WeakPolarHBondContact CE2-OG 3.48Å; Y609-S613 VanDerWaalsContact O-CB 3.26Å; Y609-S613 WeakPolarHBondContact O-CB 3.46Å; Y609-S613 PolarHBondContact O-N 2.91Å; Y609-S613 PolarHBondContact O-OG 3.19Å |
| 610 | H | 93.1 | Very high | 92.6 | Very high | 39 Ų | 39 | 60 Ų | 60 | 18% | 0.181 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.8 | -44.8 | -179.8 | -82.9 | -59.1 | 0 | 0 | 0 | 113.3 | S579 Y606 I607 T612 I614 | S579-H610 PolarHBondContact O-CE1 2.93Å; S579-H610 PolarHBondContact OG-CE1 3.22Å; S579-H610 VanDerWaalsContact OG-CE1 3.3Å; Y606-H610 AromaticContact CD1-CD2 3.87Å; Y606-H610 AromaticContact CE1-CD2 3.71Å; Y606-H610 AromaticContact CE1-NE2 3.48Å; Y606-H610 WeakPolarHBondContact CE1-NE2 3.47Å; Y606-H610 AromaticContact CE2-NE2 3.47Å; Y606-H610 WeakPolarHBondContact CE2-NE2 3.36Å; Y606-H610 AromaticContact CZ-CD2 3.84Å; Y606-H610 AromaticContact CZ-NE2 3.16Å; Y606-H610 PolarHBondContact O-CD2 2.99Å; Y606-H610 PolarHBondContact O-N 2.93Å; Y606-H610 PolarHBondContact OH-NE2 3.23Å; I607-H610 PolarHBondContact O-N 2.88Å; H610-T612 VanDerWaalsContact C-N 3.32Å; H610-T612 PolarHBondContact O-N 3.31Å; H610-I614 WeakPolarHBondContact ND1-CD1 3.43Å; H610-I614 WeakPolarHBondContact O-CB 3.3Å; H610-I614 PolarHBondContact O-N 3.03Å |
| 611 | V | 93.5 | Very high | 92.7 | Very high | 71 Ų | 71 | 53.6 Ų | 53.6 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | I | π-helix | trans | -60.3 | -44 | 175 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | I607 I615 V616 | I607-V611 HydrophobicContact CG2-CG2 4.4Å; I607-V611 WeakPolarHBondContact O-CG2 3.42Å; I607-V611 PolarHBondContact O-N 3.46Å; V611-I615 HydrophobicContact CG1-CD1 4.48Å; V611-I615 HydrophobicContact CG2-CD1 4.28Å; V611-I615 WeakPolarHBondContact O-CA 3.24Å; V611-I615 VanDerWaalsContact O-CB 3.28Å; V611-I615 WeakPolarHBondContact O-CB 3.44Å; V611-I615 PolarHBondContact O-N 3.49Å; V611-I615 VanDerWaalsContact O-N 3.16Å; V611-V616 PolarHBondContact O-N 3.12Å; V611-V616 VanDerWaalsContact O-N 3.13Å |
| 612 | T | 92.9 | Very high | 92.7 | Very high | 42 Ų | 42 | 54.9 Ų | 54.9 | 26% | 0.258 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -67.4 | -52.7 | 179.5 | -52.5 | 0 | 0 | 0 | 0 | 111.5 | I531 A608 Y609 H610 V616 L617 | I531-T612 HydrophobicContact CD1-CG2 4.17Å; I531-T612 HydrophobicContact CG2-CG2 3.98Å; A608-T612 WeakPolarHBondContact O-CB 3.44Å; A608-T612 PolarHBondContact O-N 2.81Å; A608-T612 PolarHBondContact O-OG1 3.47Å; Y609-T612 PolarHBondContact O-N 3.33Å; H610-T612 VanDerWaalsContact C-N 3.32Å; H610-T612 PolarHBondContact O-N 3.31Å; T612-V616 WeakPolarHBondContact O-CB 3.38Å; T612-V616 PolarHBondContact O-N 3.5Å; T612-L617 WeakPolarHBondContact O-CG 3.37Å; T612-L617 PolarHBondContact O-N 3.37Å |
| 613 | S | 91.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | I | π-helix | trans | -78.2 | -37.4 | -170 | -61.5 | 0 | 0 | 0 | 0 | 113.8 | Y609 L618 | Y609-S613 WeakPolarHBondContact CD2-OG 3.3Å; Y609-S613 WeakPolarHBondContact CE2-OG 3.48Å; Y609-S613 VanDerWaalsContact O-CB 3.26Å; Y609-S613 WeakPolarHBondContact O-CB 3.46Å; Y609-S613 PolarHBondContact O-N 2.91Å; Y609-S613 PolarHBondContact O-OG 3.19Å; S613-L618 PolarHBondContact O-N 2.99Å |
| 614 | I | 91.4 | Very high | 92.8 | Very high | 60 Ų | 60 | 57.9 Ų | 57.9 | 31% | 0.308 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -93.6 | -44.5 | -179.1 | -57.4 | 178.5 | 0 | 0 | 0 | 111.2 | L580 H610 L618 | L580-I614 HydrophobicContact CD1-CG1 3.98Å; H610-I614 WeakPolarHBondContact ND1-CD1 3.43Å; H610-I614 WeakPolarHBondContact O-CB 3.3Å; H610-I614 PolarHBondContact O-N 3.03Å; I614-L618 VanDerWaalsContact O-CB 3.24Å; I614-L618 WeakPolarHBondContact O-CB 3.27Å |
| 615 | I | 91.7 | Very high | 92.8 | Very high | 103 Ų | 103 | 58.2 Ų | 58.2 | 53% | 0.528 | 32% | 0.32 | S | S | . | . | I | π-helix | trans | -86.2 | -42.3 | -173.8 | -48.9 | 180 | 0 | 0 | 0 | 111.9 | V611 N619 | V611-I615 HydrophobicContact CG1-CD1 4.48Å; V611-I615 HydrophobicContact CG2-CD1 4.28Å; V611-I615 WeakPolarHBondContact O-CA 3.24Å; V611-I615 VanDerWaalsContact O-CB 3.28Å; V611-I615 WeakPolarHBondContact O-CB 3.44Å; V611-I615 PolarHBondContact O-N 3.49Å; V611-I615 VanDerWaalsContact O-N 3.16Å; I615-N619 PolarHBondContact O-ND2 3.13Å |
| 616 | V | 92.6 | Very high | 92.8 | Very high | 65 Ų | 65 | 58.6 Ų | 58.6 | 39% | 0.394 | 33% | 0.328 | S | S | . | . | I | π-helix | trans | -85 | -59.4 | -179.9 | -173.7 | 0 | 0 | 0 | 0 | 111.3 | V611 T612 M620 | V611-V616 PolarHBondContact O-N 3.12Å; V611-V616 VanDerWaalsContact O-N 3.13Å; T612-V616 WeakPolarHBondContact O-CB 3.38Å; T612-V616 PolarHBondContact O-N 3.5Å; V616-M620 HydrophobicContact CG1-CE 3.84Å; V616-M620 HydrophobicContact CG1-SD 3.98Å; V616-M620 WeakPolarHBondContact O-CG 3.33Å; V616-M620 PolarHBondContact O-N 3.26Å; V616-M620 VanDerWaalsContact O-N 3.08Å |
| 617 | L | 92.3 | Very high | 92.9 | Very high | 10 Ų | 10 | 63.8 Ų | 63.8 | 5% | 0.052 | 35% | 0.352 | C | S | . | . | I | π-helix | trans | -66.7 | -45 | -171 | -66.2 | -177.2 | 0 | 0 | 0 | 113.3 | F524 I527 F528 I531 T612 N619 M620 L621 | F524-L617 HydrophobicContact CE1-CB 4.06Å; F524-L617 HydrophobicContact CE1-CD2 4.45Å; F524-L617 HydrophobicContact CE2-CD2 4.46Å; F524-L617 HydrophobicContact CZ-CB 3.78Å; F524-L617 HydrophobicContact CZ-CD2 3.76Å; F524-L617 HydrophobicContact CZ-CG 4.31Å; F524-L617 WeakPolarHBondContact CZ-O 3.47Å; I527-L617 HydrophobicContact CG2-CD2 4.37Å; F528-L617 HydrophobicContact CB-CD1 4.39Å; F528-L617 HydrophobicContact CD2-CD1 3.9Å; I531-L617 HydrophobicContact CD1-CD1 3.82Å; I531-L617 HydrophobicContact CD1-CD2 4.02Å; I531-L617 HydrophobicContact CD1-CG 4.33Å; I531-L617 HydrophobicContact CG2-CD1 4.45Å; T612-L617 WeakPolarHBondContact O-CG 3.37Å; T612-L617 PolarHBondContact O-N 3.37Å; L617-N619 PolarHBondContact O-N 2.69Å; L617-M620 PolarHBondContact O-N 3.4Å; L617-L621 WeakPolarHBondContact O-CB 3.35Å; L617-L621 PolarHBondContact O-N 2.99Å |
| 618 | L | 91.5 | Very high | 92.9 | Very high | 87 Ų | 87 | 59.1 Ų | 59.1 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.8 | -41.2 | -178.5 | -170.4 | 63.6 | 0 | 0 | 0 | 112.2 | S613 I614 L621 I622 | S613-L618 PolarHBondContact O-N 2.99Å; I614-L618 VanDerWaalsContact O-CB 3.24Å; I614-L618 WeakPolarHBondContact O-CB 3.27Å; L618-L621 PolarHBondContact O-N 3.38Å; L618-I622 HydrophobicContact CG-CD1 4.09Å; L618-I622 VanDerWaalsContact O-CG1 3.3Å; L618-I622 WeakPolarHBondContact O-CG1 3.35Å; L618-I622 PolarHBondContact O-N 3.02Å |
| 619 | N | 92.4 | Very high | 92.8 | Very high | 96 Ų | 96 | 61 Ų | 61 | 51% | 0.513 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 176.8 | -76 | -44.2 | 0 | 0 | 0 | 112.1 | I615 L617 L621 I622 A623 | I615-N619 PolarHBondContact O-ND2 3.13Å; L617-N619 PolarHBondContact O-N 2.69Å; N619-L621 VanDerWaalsContact C-N 3.35Å; N619-I622 PolarHBondContact O-N 3.12Å; N619-A623 WeakPolarHBondContact O-CB 3.48Å; N619-A623 PolarHBondContact O-N 3.31Å |
| 620 | M | 92.3 | Very high | 92.8 | Very high | 109 Ų | 109 | 66.3 Ų | 66.3 | 54% | 0.537 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 172.1 | -74.5 | -175.6 | 172 | 0 | 0 | 112.2 | F524 V616 L617 A623 M624 | F524-M620 HydrophobicContact CE2-CB 3.99Å; F524-M620 HydrophobicContact CZ-CB 4.27Å; V616-M620 HydrophobicContact CG1-CE 3.84Å; V616-M620 HydrophobicContact CG1-SD 3.98Å; V616-M620 WeakPolarHBondContact O-CG 3.33Å; V616-M620 PolarHBondContact O-N 3.26Å; V616-M620 VanDerWaalsContact O-N 3.08Å; L617-M620 PolarHBondContact O-N 3.4Å; M620-A623 PolarHBondContact O-N 2.67Å; M620-M624 VanDerWaalsContact O-CB 3.3Å; M620-M624 WeakPolarHBondContact O-CB 3.36Å; M620-M624 PolarHBondContact O-N 2.82Å |
| 621 | L | 93.3 | Very high | 92.6 | Very high | 33 Ų | 33 | 70.7 Ų | 70.7 | 17% | 0.173 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65 | -43.9 | 176.9 | 179.7 | 59.2 | 0 | 0 | 0 | 111.8 | I521 F524 L617 L618 N619 M624 M625 | I521-L621 HydrophobicContact CG1-CD1 4.32Å; F524-L621 HydrophobicContact CB-CD1 4.12Å; F524-L621 HydrophobicContact CD1-CB 4.07Å; F524-L621 HydrophobicContact CD1-CD1 3.85Å; F524-L621 HydrophobicContact CD1-CD2 4.22Å; F524-L621 HydrophobicContact CD1-CG 4.26Å; F524-L621 HydrophobicContact CE1-CB 3.82Å; F524-L621 HydrophobicContact CE1-CD1 4.48Å; F524-L621 HydrophobicContact CE1-CD2 4.38Å; F524-L621 HydrophobicContact CE1-CG 4.45Å; F524-L621 HydrophobicContact CE2-CB 4.45Å; F524-L621 HydrophobicContact CG-CB 4.49Å; F524-L621 HydrophobicContact CG-CD1 3.91Å; F524-L621 HydrophobicContact CZ-CB 4.03Å; L617-L621 WeakPolarHBondContact O-CB 3.35Å; L617-L621 PolarHBondContact O-N 2.99Å; L618-L621 PolarHBondContact O-N 3.38Å; N619-L621 VanDerWaalsContact C-N 3.35Å; L621-M624 PolarHBondContact O-N 2.76Å; L621-M625 HydrophobicContact CD1-CG 4.08Å; L621-M625 HydrophobicContact CD1-SD 4.28Å; L621-M625 HydrophobicContact CG-CE 4.12Å; L621-M625 HydrophobicContact CG-CG 4.48Å; L621-M625 HydrophobicContact CG-SD 4.33Å; L621-M625 WeakPolarHBondContact O-CB 3.25Å; L621-M625 VanDerWaalsContact O-CG 3.31Å; L621-M625 WeakPolarHBondContact O-CG 3.47Å; L621-M625 PolarHBondContact O-N 3.46Å |
| 622 | I | 94 | Very high | 92.5 | Very high | 88 Ų | 88 | 68 Ų | 68 | 45% | 0.451 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.8 | -45.5 | 176.7 | -69.2 | 164.3 | 0 | 0 | 0 | 110.8 | L618 N619 M625 S626 | L618-I622 HydrophobicContact CG-CD1 4.09Å; L618-I622 VanDerWaalsContact O-CG1 3.3Å; L618-I622 WeakPolarHBondContact O-CG1 3.35Å; L618-I622 PolarHBondContact O-N 3.02Å; N619-I622 PolarHBondContact O-N 3.12Å; I622-M625 HydrophobicContact CG1-CE 4.46Å; I622-M625 PolarHBondContact O-N 3.38Å; I622-S626 WeakPolarHBondContact O-CB 3.37Å; I622-S626 PolarHBondContact O-N 2.98Å |
| 623 | A | 94.1 | Very high | 92.3 | Very high | 63 Ų | 63 | 70.1 Ų | 70.1 | 52% | 0.521 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.7 | -44.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N619 M620 S626 H627 | N619-A623 WeakPolarHBondContact O-CB 3.48Å; N619-A623 PolarHBondContact O-N 3.31Å; M620-A623 PolarHBondContact O-N 2.67Å; A623-S626 PolarHBondContact O-N 3.23Å; A623-H627 PolarHBondContact O-N 3.14Å; A623-H627 VanDerWaalsContact O-N 3.12Å |
| 624 | M | 92.4 | Very high | 92.4 | Very high | 77 Ų | 77 | 75.8 Ų | 75.8 | 38% | 0.379 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.4 | -44.6 | 177.7 | -173.7 | -178.7 | -63.6 | 0 | 0 | 112.1 | F524 M620 L621 S626 H627 S628 | F524-M624 HydrophobicContact CB-SD 4.41Å; F524-M624 HydrophobicContact CD2-CE 3.89Å; F524-M624 HydrophobicContact CD2-SD 4.31Å; M620-M624 VanDerWaalsContact O-CB 3.3Å; M620-M624 WeakPolarHBondContact O-CB 3.36Å; M620-M624 PolarHBondContact O-N 2.82Å; L621-M624 PolarHBondContact O-N 2.76Å; M624-S626 PolarHBondContact O-N 3.49Å; M624-H627 PolarHBondContact O-N 3.27Å; M624-S628 WeakPolarHBondContact O-CB 3.47Å; M624-S628 PolarHBondContact O-N 3.42Å; M624-S628 PolarHBondContact O-OG 3.25Å |
| 625 | M | 93 | Very high | 92.3 | Very high | 63 Ų | 63 | 77.9 Ų | 77.9 | 31% | 0.31 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 176.5 | -72.6 | -171 | -54.4 | 0 | 0 | 112 | I521 L621 I622 S628 F629 | I521-M625 HydrophobicContact CD1-CG 4.33Å; I521-M625 HydrophobicContact CD1-SD 3.75Å; I521-M625 HydrophobicContact CG1-CG 4.09Å; I521-M625 HydrophobicContact CG1-SD 3.99Å; L621-M625 HydrophobicContact CD1-CG 4.08Å; L621-M625 HydrophobicContact CD1-SD 4.28Å; L621-M625 HydrophobicContact CG-CE 4.12Å; L621-M625 HydrophobicContact CG-CG 4.48Å; L621-M625 HydrophobicContact CG-SD 4.33Å; L621-M625 WeakPolarHBondContact O-CB 3.25Å; L621-M625 VanDerWaalsContact O-CG 3.31Å; L621-M625 WeakPolarHBondContact O-CG 3.47Å; L621-M625 PolarHBondContact O-N 3.46Å; I622-M625 HydrophobicContact CG1-CE 4.46Å; I622-M625 PolarHBondContact O-N 3.38Å; M625-S628 PolarHBondContact O-N 3.44Å; M625-F629 VanDerWaalsContact O-CB 3.24Å; M625-F629 WeakPolarHBondContact O-CB 3.45Å; M625-F629 PolarHBondContact O-N 3.19Å |
| 626 | S | 93.6 | Very high | 92.3 | Very high | 64 Ų | 64 | 73.4 Ų | 73.4 | 45% | 0.448 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.3 | -50 | 177.2 | -172 | 0 | 0 | 0 | 0 | 111.9 | I622 A623 M624 F629 Q630 | I622-S626 WeakPolarHBondContact O-CB 3.37Å; I622-S626 PolarHBondContact O-N 2.98Å; A623-S626 PolarHBondContact O-N 3.23Å; M624-S626 PolarHBondContact O-N 3.49Å; S626-F629 PolarHBondContact O-N 2.98Å; S626-Q630 WeakPolarHBondContact O-CG 3.37Å; S626-Q630 PolarHBondContact O-N 2.97Å; S626-Q630 VanDerWaalsContact O-N 3.1Å |
| 627 | H | 93.6 | Very high | 92.3 | Very high | 122 Ų | 122 | 74.1 Ų | 74.1 | 57% | 0.565 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.2 | -42.3 | 177.1 | 176.5 | -105.6 | 0 | 0 | 0 | 112.6 | A623 M624 Q630 R631 | A623-H627 PolarHBondContact O-N 3.14Å; A623-H627 VanDerWaalsContact O-N 3.12Å; M624-H627 PolarHBondContact O-N 3.27Å; H627-Q630 PolarHBondContact O-N 3.29Å; H627-R631 PolarHBondContact O-N 3.1Å |
| 628 | S | 92.5 | Very high | 92.3 | Very high | 7 Ų | 7 | 75.6 Ų | 75.6 | 5% | 0.049 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 175.3 | -76.3 | 0 | 0 | 0 | 0 | 112.2 | D520 M624 M625 I632 | D520-S628 WeakPolarHBondContact OD2-CB 3.35Å; D520-S628 PolarHBondContact OD2-OG 3.18Å; M624-S628 WeakPolarHBondContact O-CB 3.47Å; M624-S628 PolarHBondContact O-N 3.42Å; M624-S628 PolarHBondContact O-OG 3.25Å; M625-S628 PolarHBondContact O-N 3.44Å; S628-I632 WeakPolarHBondContact O-CB 3.48Å; S628-I632 VanDerWaalsContact O-CD1 3.25Å; S628-I632 WeakPolarHBondContact O-CD1 3.49Å; S628-I632 WeakPolarHBondContact O-CG1 3.42Å; S628-I632 PolarHBondContact O-N 3.4Å; S628-I632 VanDerWaalsContact O-N 3.12Å |
| 629 | F | 92.4 | Very high | 92.4 | Very high | 79 Ų | 79 | 72.4 Ų | 72.4 | 35% | 0.346 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.4 | -48.5 | 176.4 | -179.5 | -104.3 | 0 | 0 | 0 | 111.6 | M517 M625 S626 I632 N633 | M517-F629 HydrophobicContact CE-CD2 3.89Å; M517-F629 HydrophobicContact SD-CB 3.7Å; M517-F629 HydrophobicContact SD-CD2 3.93Å; M517-F629 HydrophobicContact SD-CG 4.29Å; M625-F629 VanDerWaalsContact O-CB 3.24Å; M625-F629 WeakPolarHBondContact O-CB 3.45Å; M625-F629 PolarHBondContact O-N 3.19Å; S626-F629 PolarHBondContact O-N 2.98Å; F629-I632 PolarHBondContact O-N 2.93Å; F629-N633 HydrophobicContact CE1-CB 4.25Å; F629-N633 HydrophobicContact CZ-CB 4.32Å; F629-N633 WeakPolarHBondContact O-CB 3.49Å; F629-N633 PolarHBondContact O-N 3.17Å |
| 630 | Q | 94 | Very high | 92.5 | Very high | 112 Ų | 112 | 68.7 Ų | 68.7 | 52% | 0.523 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -55.6 | -57.3 | 178.4 | -71.9 | 171.8 | -14.8 | 0 | 0 | 111.4 | S626 H627 I632 N633 D634 | S626-Q630 WeakPolarHBondContact O-CG 3.37Å; S626-Q630 PolarHBondContact O-N 2.97Å; S626-Q630 VanDerWaalsContact O-N 3.1Å; H627-Q630 PolarHBondContact O-N 3.29Å; Q630-I632 PolarHBondContact O-N 3.29Å; Q630-I632 VanDerWaalsContact O-N 3.14Å; Q630-N633 WeakPolarHBondContact O-CB 3.43Å; Q630-N633 PolarHBondContact O-N 3.07Å; Q630-D634 VanDerWaalsContact O-CG 3.27Å; Q630-D634 PolarHBondContact O-N 3.5Å; Q630-D634 VanDerWaalsContact O-N 3.08Å |
| 631 | R | 90.7 | Very high | 92.6 | Very high | 131 Ų | 131 | 66 Ų | 66 | 49% | 0.494 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -54.3 | -35.2 | 179.7 | -179.9 | -179.8 | 62.3 | 118 | -0.9 | 114 | D520 H627 H635 | D520-R631 IonicContact OD2-NH2 3.46Å; D520-R631 PolarHBondContact OD2-NH2 3.23Å; D520-R631 VanDerWaalsContact OD2-NH2 3.13Å; H627-R631 PolarHBondContact O-N 3.1Å; R631-H635 PolarHBondContact O-ND1 3.34Å |
| 632 | I | 89.6 | Confident | 92.7 | Very high | 15 Ų | 15 | 64.5 Ų | 64.5 | 8% | 0.077 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -80.1 | -41.3 | 177.1 | -63.1 | 160 | 0 | 0 | 0 | 110.8 | C516 M517 S628 F629 Q630 D634 H635 A636 | C516-I632 HydrophobicContact CB-CD1 3.61Å; C516-I632 HydrophobicContact CB-CG1 4.22Å; C516-I632 HydrophobicContact CB-CG2 4.22Å; M517-I632 HydrophobicContact CG-CD1 3.86Å; S628-I632 WeakPolarHBondContact O-CB 3.48Å; S628-I632 VanDerWaalsContact O-CD1 3.25Å; S628-I632 WeakPolarHBondContact O-CD1 3.49Å; S628-I632 WeakPolarHBondContact O-CG1 3.42Å; S628-I632 PolarHBondContact O-N 3.4Å; S628-I632 VanDerWaalsContact O-N 3.12Å; F629-I632 PolarHBondContact O-N 2.93Å; Q630-I632 PolarHBondContact O-N 3.29Å; Q630-I632 VanDerWaalsContact O-N 3.14Å; I632-D634 VanDerWaalsContact C-N 3.32Å; I632-D634 PolarHBondContact O-N 3.47Å; I632-H635 CarbonylContact O-C 3.59Å; I632-H635 PolarHBondContact O-N 3.13Å; I632-A636 PolarHBondContact O-N 3.31Å |
| 633 | N | 90.4 | Very high | 92.6 | Very high | 86 Ų | 86 | 63 Ų | 63 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.4 | -40.8 | -178.8 | -179.1 | 80.7 | 0 | 0 | 0 | 112.2 | F629 Q630 H635 A636 | F629-N633 HydrophobicContact CE1-CB 4.25Å; F629-N633 HydrophobicContact CZ-CB 4.32Å; F629-N633 WeakPolarHBondContact O-CB 3.49Å; F629-N633 PolarHBondContact O-N 3.17Å; Q630-N633 WeakPolarHBondContact O-CB 3.43Å; Q630-N633 PolarHBondContact O-N 3.07Å; N633-H635 PolarHBondContact O-N 2.97Å; N633-A636 WeakPolarHBondContact O-CB 3.5Å; N633-A636 PolarHBondContact O-N 3.29Å |
| 634 | D | 91.6 | Very high | 92.6 | Very high | 121 Ų | 121 | 61.3 Ų | 61.3 | 65% | 0.647 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -24.9 | 175.8 | -60.6 | -25.7 | 0 | 0 | 0 | 113.1 | Q630 I632 | Q630-D634 VanDerWaalsContact O-CG 3.27Å; Q630-D634 PolarHBondContact O-N 3.5Å; Q630-D634 VanDerWaalsContact O-N 3.08Å; I632-D634 VanDerWaalsContact C-N 3.32Å; I632-D634 PolarHBondContact O-N 3.47Å |
| 635 | H | 90.3 | Very high | 92.7 | Very high | 105 Ų | 105 | 57.7 Ų | 57.7 | 49% | 0.486 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 2.2 | -178.6 | -61.5 | 90.7 | 0 | 0 | 0 | 113.5 | R631 I632 N633 D637 L638 E639 | R631-H635 PolarHBondContact O-ND1 3.34Å; I632-H635 CarbonylContact O-C 3.59Å; I632-H635 PolarHBondContact O-N 3.13Å; N633-H635 PolarHBondContact O-N 2.97Å; H635-D637 PolarHBondContact O-N 3.14Å; H635-L638 WeakPolarHBondContact O-CA 3.44Å; H635-L638 WeakPolarHBondContact O-CB 3.39Å; H635-L638 PolarHBondContact O-N 2.9Å; H635-E639 HydrophobicContact CB-CG 4.38Å; H635-E639 WeakPolarHBondContact O-CG 3.28Å; H635-E639 PolarHBondContact O-N 2.86Å |
| 636 | A | 92.4 | Very high | 92.6 | Very high | 8 Ų | 8 | 58.5 Ų | 58.5 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.5 | -32.5 | -163 | 0 | 0 | 0 | 0 | 0 | 114.8 | P509 I632 N633 W640 | P509-A636 HydrophobicContact CB-CB 4.21Å; I632-A636 PolarHBondContact O-N 3.31Å; N633-A636 WeakPolarHBondContact O-CB 3.5Å; N633-A636 PolarHBondContact O-N 3.29Å; A636-W640 WeakPolarHBondContact O-CB 3.29Å; A636-W640 PolarHBondContact O-N 3.37Å |
| 637 | D | 92.3 | Very high | 92.4 | Very high | 80 Ų | 80 | 55.9 Ų | 55.9 | 43% | 0.428 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.4 | -35 | 173.1 | 166.8 | 63.2 | 0 | 0 | 0 | 112.2 | H635 K641 | H635-D637 PolarHBondContact O-N 3.14Å; D637-K641 WeakPolarHBondContact O-CB 3.42Å; D637-K641 WeakPolarHBondContact O-CD 3.34Å; D637-K641 VanDerWaalsContact O-CG 3.25Å; D637-K641 WeakPolarHBondContact O-CG 3.42Å; D637-K641 PolarHBondContact O-N 2.86Å; D637-K641 WeakPolarHBondContact OD1-CE 3.32Å; D637-K641 IonicContact OD1-NZ 3.22Å; D637-K641 PolarHBondContact OD1-NZ 3.21Å; D637-K641 WeakPolarHBondContact OD2-CE 3.5Å; D637-K641 IonicContact OD2-NZ 2.81Å; D637-K641 PolarHBondContact OD2-NZ 2.98Å |
| 638 | L | 92.8 | Very high | 92.3 | Very high | 42 Ų | 42 | 50.7 Ų | 50.7 | 22% | 0.22 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.1 | -41.9 | 175.7 | 165.3 | 144 | 0 | 0 | 0 | 111.4 | K288 Q289 A292 H635 F642 | K288-L638 HydrophobicContact CB-CD2 3.6Å; K288-L638 HydrophobicContact CB-CG 4.11Å; K288-L638 HydrophobicContact CD-CD2 4.06Å; K288-L638 HydrophobicContact CG-CD2 4.42Å; Q289-L638 HydrophobicContact CB-CD1 4.23Å; Q289-L638 HydrophobicContact CG-CD1 3.6Å; A292-L638 HydrophobicContact CB-CB 4.49Å; A292-L638 HydrophobicContact CB-CG 4.25Å; H635-L638 WeakPolarHBondContact O-CA 3.44Å; H635-L638 WeakPolarHBondContact O-CB 3.39Å; H635-L638 PolarHBondContact O-N 2.9Å; L638-F642 WeakPolarHBondContact O-CB 3.49Å; L638-F642 PolarHBondContact O-N 3.1Å |
| 639 | E | 92.4 | Very high | 92 | Very high | 19 Ų | 19 | 51 Ų | 51 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63 | -45.8 | 171.9 | -57.1 | -136.3 | 118.4 | 0 | 0 | 110.8 | K288 I512 C516 H635 K641 F642 H643 | K288-E639 IonicContact NZ-OE1 2.67Å; K288-E639 PolarHBondContact NZ-OE1 2.98Å; I512-E639 HydrophobicContact CG2-CB 3.97Å; C516-E639 PolarHBondContact SG-OE2 3.43Å; H635-E639 HydrophobicContact CB-CG 4.38Å; H635-E639 WeakPolarHBondContact O-CG 3.28Å; H635-E639 PolarHBondContact O-N 2.86Å; E639-K641 PolarHBondContact O-N 3.29Å; E639-F642 WeakPolarHBondContact O-CB 3.29Å; E639-F642 PolarHBondContact O-N 3.38Å; E639-H643 PolarHBondContact O-CD2 3.19Å; E639-H643 VanDerWaalsContact O-CD2 3.26Å; E639-H643 PolarHBondContact O-N 2.95Å |
| 640 | W | 94.9 | Very high | 91.6 | Very high | 19 Ų | 19 | 50.1 Ų | 50.1 | 7% | 0.072 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.4 | -48.3 | 177.1 | 171.3 | 58.7 | 0 | 0 | 0 | 112.8 | Q502 P505 P509 I512 A636 F642 H643 R644 | Q502-W640 PolarHBondContact O-NE1 3.41Å; P505-W640 VanDerWaalsContact CA-CH2 3.48Å; P505-W640 VanDerWaalsContact CA-CZ2 3.4Å; P505-W640 HydrophobicContact CB-CH2 3.64Å; P505-W640 HydrophobicContact CB-CZ2 4.05Å; P505-W640 HydrophobicContact CB-CZ3 4.44Å; P509-W640 HydrophobicContact CB-CB 4.41Å; P509-W640 HydrophobicContact CG-CB 3.91Å; P509-W640 HydrophobicContact CG-CD2 4.07Å; P509-W640 HydrophobicContact CG-CE3 4.33Å; P509-W640 HydrophobicContact CG-CG 3.86Å; I512-W640 HydrophobicContact CD1-CB 4.11Å; A636-W640 WeakPolarHBondContact O-CB 3.29Å; A636-W640 PolarHBondContact O-N 3.37Å; W640-F642 VanDerWaalsContact C-N 3.28Å; W640-F642 PolarHBondContact O-N 2.91Å; W640-H643 PolarHBondContact O-N 3.27Å; W640-R644 WeakPolarHBondContact O-CB 3.4Å; W640-R644 PolarHBondContact O-N 2.83Å |
| 641 | K | 94.9 | Very high | 91.2 | Very high | 51 Ų | 51 | 46.3 Ų | 46.3 | 22% | 0.222 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.2 | -39.5 | 175.2 | -77.3 | 164 | 177.7 | 161.4 | 0 | 111.7 | A292 D637 E639 T645 | A292-K641 HydrophobicContact CB-CB 3.77Å; A292-K641 HydrophobicContact CB-CD 4.1Å; D637-K641 WeakPolarHBondContact O-CB 3.42Å; D637-K641 WeakPolarHBondContact O-CD 3.34Å; D637-K641 VanDerWaalsContact O-CG 3.25Å; D637-K641 WeakPolarHBondContact O-CG 3.42Å; D637-K641 PolarHBondContact O-N 2.86Å; D637-K641 WeakPolarHBondContact OD1-CE 3.32Å; D637-K641 IonicContact OD1-NZ 3.22Å; D637-K641 PolarHBondContact OD1-NZ 3.21Å; D637-K641 WeakPolarHBondContact OD2-CE 3.5Å; D637-K641 IonicContact OD2-NZ 2.81Å; D637-K641 PolarHBondContact OD2-NZ 2.98Å; E639-K641 PolarHBondContact O-N 3.29Å; K641-T645 WeakPolarHBondContact O-CB 3.43Å; K641-T645 PolarHBondContact O-N 2.94Å; K641-T645 PolarHBondContact O-OG1 3.42Å |
| 642 | F | 94.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63 | -54.9 | 175.4 | 178.7 | -99.1 | 0 | 0 | 0 | 112.1 | I283 E286 K288 V291 L638 E639 W640 R644 T645 K646 | I283-F642 HydrophobicContact CB-CE2 4.48Å; I283-F642 HydrophobicContact CG1-CE2 4.32Å; I283-F642 HydrophobicContact CG2-CE2 4.47Å; I283-F642 HydrophobicContact CG2-CZ 4.25Å; E286-F642 HydrophobicContact CB-CZ 4.2Å; E286-F642 HydrophobicContact CG-CZ 4.26Å; K288-F642 HydrophobicContact CB-CB 4.4Å; K288-F642 HydrophobicContact CB-CD2 4.36Å; K288-F642 HydrophobicContact CB-CG 4.44Å; K288-F642 HydrophobicContact CG-CB 4.25Å; K288-F642 HydrophobicContact CG-CD1 4.28Å; K288-F642 HydrophobicContact CG-CD2 4.04Å; K288-F642 HydrophobicContact CG-CE2 4.45Å; K288-F642 HydrophobicContact CG-CG 3.94Å; V291-F642 HydrophobicContact CB-CD2 3.95Å; V291-F642 HydrophobicContact CG1-CD2 4.13Å; V291-F642 HydrophobicContact CG2-CD2 3.95Å; V291-F642 HydrophobicContact CG2-CE2 4.16Å; L638-F642 WeakPolarHBondContact O-CB 3.49Å; L638-F642 PolarHBondContact O-N 3.1Å; E639-F642 WeakPolarHBondContact O-CB 3.29Å; E639-F642 PolarHBondContact O-N 3.38Å; W640-F642 VanDerWaalsContact C-N 3.28Å; W640-F642 PolarHBondContact O-N 2.91Å; F642-R644 PolarHBondContact O-N 3.35Å; F642-T645 PolarHBondContact O-N 2.93Å; F642-T645 VanDerWaalsContact O-N 3.13Å; F642-K646 PolarHBondContact O-N 2.98Å |
| 643 | H | 92.4 | Very high | 90.2 | Very high | 55 Ų | 55 | 44.1 Ų | 44.1 | 26% | 0.255 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.6 | -42.5 | -179.4 | -79.5 | -81.2 | 0 | 0 | 0 | 112.7 | I512 E639 W640 T645 K646 L647 | I512-H643 HydrophobicContact CD1-CB 3.62Å; I512-H643 HydrophobicContact CG1-CB 4.48Å; E639-H643 PolarHBondContact O-CD2 3.19Å; E639-H643 VanDerWaalsContact O-CD2 3.26Å; E639-H643 PolarHBondContact O-N 2.95Å; W640-H643 PolarHBondContact O-N 3.27Å; H643-T645 VanDerWaalsContact C-N 3.27Å; H643-T645 PolarHBondContact O-N 3.38Å; H643-K646 WeakPolarHBondContact O-CB 3.46Å; H643-K646 PolarHBondContact O-N 3.45Å; H643-L647 PolarHBondContact O-N 2.86Å |
| 644 | R | 94.2 | Very high | 89 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 11% | 0.109 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.2 | -40.5 | 172.4 | -173.8 | -174.2 | 77.6 | -169.7 | 6 | 111.8 | M503 W640 F642 L647 W648 | M503-R644 HydrophobicContact SD-CG 4.4Å; W640-R644 WeakPolarHBondContact O-CB 3.4Å; W640-R644 PolarHBondContact O-N 2.83Å; F642-R644 PolarHBondContact O-N 3.35Å; R644-L647 PolarHBondContact O-N 2.92Å; R644-W648 HydrophobicContact CG-CD2 4.44Å; R644-W648 HydrophobicContact CG-CZ2 3.99Å; R644-W648 VanDerWaalsContact O-CG 3.25Å; R644-W648 PolarHBondContact O-N 3.48Å |
| 645 | T | 93.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.3 | -38 | 177.9 | -51.1 | 0 | 0 | 0 | 0 | 111.7 | L279 I283 V291 Q297 M300 K641 F642 H643 L647 W648 M649 | L279-T645 HydrophobicContact CD2-CG2 4.27Å; I283-T645 HydrophobicContact CD1-CG2 4.42Å; V291-T645 HydrophobicContact CG1-CG2 3.75Å; Q297-T645 PolarHBondContact NE2-OG1 3.2Å; M300-T645 HydrophobicContact CE-CG2 3.71Å; M300-T645 HydrophobicContact CG-CG2 4.32Å; K641-T645 WeakPolarHBondContact O-CB 3.43Å; K641-T645 PolarHBondContact O-N 2.94Å; K641-T645 PolarHBondContact O-OG1 3.42Å; F642-T645 PolarHBondContact O-N 2.93Å; F642-T645 VanDerWaalsContact O-N 3.13Å; H643-T645 VanDerWaalsContact C-N 3.27Å; H643-T645 PolarHBondContact O-N 3.38Å; T645-L647 VanDerWaalsContact C-N 3.32Å; T645-L647 PolarHBondContact O-N 3.18Å; T645-W648 PolarHBondContact O-N 3.17Å; T645-M649 WeakPolarHBondContact O-CG 3.3Å; T645-M649 PolarHBondContact O-N 2.75Å |
| 646 | K | 91.2 | Very high | 86.5 | Confident | 80 Ų | 80 | 39.1 Ų | 39.1 | 35% | 0.348 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.4 | -44.5 | 171.7 | -172.3 | -177.4 | 179.9 | -172.2 | 0 | 111.1 | I283 Q431 F642 H643 M649 | I283-K646 HydrophobicContact CG2-CB 4.43Å; I283-K646 HydrophobicContact CG2-CG 4.18Å; Q431-K646 VanDerWaalsContact OE1-CE 3.23Å; F642-K646 PolarHBondContact O-N 2.98Å; H643-K646 WeakPolarHBondContact O-CB 3.46Å; H643-K646 PolarHBondContact O-N 3.45Å; K646-M649 PolarHBondContact O-N 3.26Å |
| 647 | L | 89.8 | Confident | 85.7 | Confident | 10 Ų | 10 | 39.6 Ų | 39.6 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -44.1 | 173.7 | 177.9 | 58.7 | 0 | 0 | 0 | 112.1 | Y499 Q502 M503 H643 R644 T645 M649 G650 F651 | Y499-L647 HydrophobicContact CE1-CD1 3.89Å; Y499-L647 HydrophobicContact CE2-CD1 4.46Å; Y499-L647 WeakPolarHBondContact OH-CD1 3.31Å; Q502-L647 HydrophobicContact CB-CD2 4.06Å; M503-L647 HydrophobicContact CG-CD2 3.64Å; M503-L647 HydrophobicContact SD-CD2 3.69Å; M503-L647 HydrophobicContact SD-CG 4.27Å; H643-L647 PolarHBondContact O-N 2.86Å; R644-L647 PolarHBondContact O-N 2.92Å; T645-L647 VanDerWaalsContact C-N 3.32Å; T645-L647 PolarHBondContact O-N 3.18Å; L647-M649 PolarHBondContact O-N 3.49Å; L647-G650 PolarHBondContact O-N 2.78Å; L647-F651 HydrophobicContact CD1-CE2 3.82Å; L647-F651 HydrophobicContact CG-CE2 4.37Å; L647-F651 WeakPolarHBondContact O-CD2 3.34Å |
| 648 | W | 91.1 | Very high | 85.2 | Confident | 12 Ų | 12 | 36.6 Ų | 36.6 | 5% | 0.045 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -40.5 | 177.9 | -70.2 | 1.1 | 0 | 0 | 0 | 113.1 | M300 W304 M503 R644 T645 G650 F651 F652 | M300-W648 HydrophobicContact CB-CE3 3.91Å; M300-W648 HydrophobicContact CB-CZ3 3.81Å; W304-W648 HydrophobicContact CB-CE3 4.38Å; W304-W648 HydrophobicContact CB-CZ3 4.43Å; W304-W648 HydrophobicContact CD2-CD2 4.07Å; W304-W648 AromaticContact CD2-CE2 4Å; W304-W648 HydrophobicContact CD2-CG 4.1Å; W304-W648 AromaticContact CD2-NE1 3.98Å; W304-W648 HydrophobicContact CE3-CB 3.77Å; W304-W648 AromaticContact CE3-CD1 3.54Å; W304-W648 AromaticContact CE3-CD2 3.81Å; W304-W648 HydrophobicContact CE3-CD2 3.81Å; W304-W648 AromaticContact CE3-CG 3.42Å; W304-W648 HydrophobicContact CE3-CG 3.42Å; W304-W648 VanDerWaalsContact CE3-CG 3.42Å; W304-W648 AromaticContact CE3-NE1 3.96Å; W304-W648 HydrophobicContact CG-CD2 4.36Å; W304-W648 HydrophobicContact CG-CZ2 4.39Å; W304-W648 AromaticContact CH2-CD1 3.84Å; W304-W648 HydrophobicContact CH2-CG 4.47Å; W304-W648 HydrophobicContact CZ3-CB 3.85Å; W304-W648 AromaticContact CZ3-CD1 3.45Å; W304-W648 VanDerWaalsContact CZ3-CD1 3.45Å; W304-W648 HydrophobicContact CZ3-CD2 4.47Å; W304-W648 AromaticContact CZ3-CG 3.66Å; W304-W648 HydrophobicContact CZ3-CG 3.66Å; M503-W648 VanDerWaalsContact SD-CD1 3.57Å; M503-W648 PolarHBondContact SD-NE1 3.49Å; R644-W648 HydrophobicContact CG-CD2 4.44Å; R644-W648 HydrophobicContact CG-CZ2 3.99Å; R644-W648 VanDerWaalsContact O-CG 3.25Å; R644-W648 PolarHBondContact O-N 3.48Å; T645-W648 PolarHBondContact O-N 3.17Å; W648-G650 VanDerWaalsContact C-N 3.25Å; W648-G650 PolarHBondContact O-N 3.49Å; W648-F651 PolarHBondContact O-N 3.45Å; W648-F652 HydrophobicContact CB-CE1 4.41Å; W648-F652 VanDerWaalsContact O-CD1 3.23Å; W648-F652 WeakPolarHBondContact O-CD1 3.39Å; W648-F652 PolarHBondContact O-N 3.34Å |
| 649 | M | 87.4 | Confident | 84.7 | Confident | 15 Ų | 15 | 35.3 Ų | 35.3 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59 | -34.4 | 179.9 | -73.1 | -56.5 | -52.6 | 0 | 0 | 112.9 | L276 L279 R280 I283 M300 T645 K646 L647 F651 F652 | L276-M649 HydrophobicContact CB-CE 4.16Å; L276-M649 HydrophobicContact CD1-CE 4.28Å; L276-M649 HydrophobicContact CD1-SD 4.11Å; L279-M649 HydrophobicContact CD2-SD 4.19Å; R280-M649 HydrophobicContact CG-CE 3.7Å; I283-M649 HydrophobicContact CD1-CG 3.76Å; M300-M649 HydrophobicContact CE-CG 4.37Å; M300-M649 HydrophobicContact CE-SD 3.54Å; M300-M649 VanDerWaalsContact CE-SD 3.54Å; T645-M649 WeakPolarHBondContact O-CG 3.3Å; T645-M649 PolarHBondContact O-N 2.75Å; K646-M649 PolarHBondContact O-N 3.26Å; L647-M649 PolarHBondContact O-N 3.49Å; M649-F651 PolarHBondContact O-N 3.04Å; M649-F652 HydrophobicContact CE-CD2 4.38Å; M649-F652 PolarHBondContact O-N 3.39Å; M649-F652 VanDerWaalsContact O-N 3.08Å; M649-F652 HydrophobicContact SD-CD2 3.86Å; M649-F652 HydrophobicContact SD-CE2 4.39Å |
| 650 | G | 83.4 | Confident | 84.3 | Confident | 59 Ų | 59 | 34.6 Ų | 34.6 | 61% | 0.608 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -62.5 | -28.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L647 W648 | L647-G650 PolarHBondContact O-N 2.78Å; W648-G650 VanDerWaalsContact C-N 3.25Å; W648-G650 PolarHBondContact O-N 3.49Å |
| 651 | F | 86.4 | Confident | 83.9 | Confident | 33 Ų | 33 | 34.8 Ų | 34.8 | 15% | 0.145 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -2.6 | 174.9 | -61.8 | -74.6 | 0 | 0 | 0 | 113.6 | W304 P352 K355 F356 Y359 L647 W648 M649 | W304-F651 HydrophobicContact CH2-CB 4.39Å; W304-F651 AromaticContact CH2-CD2 3.99Å; W304-F651 HydrophobicContact CH2-CD2 3.99Å; W304-F651 HydrophobicContact CH2-CG 4.39Å; W304-F651 HydrophobicContact CZ3-CB 4.05Å; W304-F651 HydrophobicContact CZ3-CD2 4.17Å; W304-F651 HydrophobicContact CZ3-CG 4.46Å; P352-F651 HydrophobicContact CB-CB 4.41Å; K355-F651 HydrophobicContact CB-CD1 3.83Å; K355-F651 WeakPolarHBondContact CD-O 3.1Å; K355-F651 WeakPolarHBondContact CE-O 3.41Å; K355-F651 PolarHBondContact NZ-O 3.24Å; F356-F651 HydrophobicContact CB-CD1 4.25Å; F356-F651 HydrophobicContact CB-CD2 4.17Å; F356-F651 HydrophobicContact CB-CE1 4.2Å; F356-F651 HydrophobicContact CB-CE2 4.12Å; F356-F651 HydrophobicContact CB-CG 4.23Å; F356-F651 HydrophobicContact CB-CZ 4.14Å; F356-F651 HydrophobicContact CD2-CD2 4.44Å; F356-F651 AromaticContact CD2-CE2 3.71Å; F356-F651 HydrophobicContact CD2-CE2 3.71Å; F356-F651 AromaticContact CD2-CZ 3.84Å; F356-F651 HydrophobicContact CD2-CZ 3.84Å; F356-F651 HydrophobicContact CG-CE2 4.39Å; Y359-F651 HydrophobicContact CD1-CZ 4.45Å; L647-F651 HydrophobicContact CD1-CE2 3.82Å; L647-F651 HydrophobicContact CG-CE2 4.37Å; L647-F651 WeakPolarHBondContact O-CD2 3.34Å; W648-F651 PolarHBondContact O-N 3.45Å; M649-F651 PolarHBondContact O-N 3.04Å |
| 652 | F | 84.4 | Confident | 83.4 | Confident | 32 Ų | 32 | 33.9 Ų | 33.9 | 14% | 0.14 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -35.6 | 179.9 | -81 | 14.9 | 0 | 0 | 0 | 112.4 | L276 M300 I303 W304 P352 W648 M649 | L276-F652 HydrophobicContact CD1-CD2 3.63Å; L276-F652 HydrophobicContact CD1-CE2 3.79Å; M300-F652 HydrophobicContact CE-CD2 4.03Å; M300-F652 HydrophobicContact CE-CE2 3.29Å; M300-F652 HydrophobicContact CE-CZ 3.81Å; M300-F652 HydrophobicContact SD-CE2 3.8Å; M300-F652 HydrophobicContact SD-CZ 4.45Å; I303-F652 HydrophobicContact CB-CE2 3.97Å; I303-F652 HydrophobicContact CB-CZ 3.74Å; I303-F652 HydrophobicContact CD1-CE2 4.28Å; I303-F652 HydrophobicContact CG2-CD2 4.16Å; I303-F652 HydrophobicContact CG2-CE1 3.99Å; I303-F652 HydrophobicContact CG2-CE2 3.54Å; I303-F652 HydrophobicContact CG2-CZ 3.45Å; I303-F652 VanDerWaalsContact CG2-CZ 3.45Å; W304-F652 AromaticContact CE3-CE1 3.82Å; W304-F652 HydrophobicContact CE3-CE1 3.82Å; W304-F652 HydrophobicContact CZ3-CE1 4.47Å; P352-F652 HydrophobicContact CB-CD1 3.62Å; P352-F652 HydrophobicContact CB-CE1 3.59Å; P352-F652 HydrophobicContact CG-CD1 3.5Å; P352-F652 VanDerWaalsContact CG-CD1 3.5Å; P352-F652 HydrophobicContact CG-CE1 3.53Å; W648-F652 HydrophobicContact CB-CE1 4.41Å; W648-F652 VanDerWaalsContact O-CD1 3.23Å; W648-F652 WeakPolarHBondContact O-CD1 3.39Å; W648-F652 PolarHBondContact O-N 3.34Å; M649-F652 HydrophobicContact CE-CD2 4.38Å; M649-F652 PolarHBondContact O-N 3.39Å; M649-F652 VanDerWaalsContact O-N 3.08Å; M649-F652 HydrophobicContact SD-CD2 3.86Å; M649-F652 HydrophobicContact SD-CE2 4.39Å |
| 653 | D | 73.9 | Confident | 82.9 | Confident | 68 Ų | 68 | 34.5 Ų | 34.5 | 36% | 0.364 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -64.1 | 150.5 | 179.6 | -75.9 | -44.1 | 0 | 0 | 0 | 113.4 | R280 K355 G655 | R280-D653 IonicContact CZ-OD1 2.89Å; R280-D653 IonicContact CZ-OD2 2.7Å; R280-D653 IonicContact NH1-OD1 2.84Å; R280-D653 PolarHBondContact NH1-OD1 2.68Å; R280-D653 IonicContact NH1-OD2 2.68Å; R280-D653 PolarHBondContact NH1-OD2 2.68Å; R280-D653 IonicContact NH2-OD1 2.64Å; R280-D653 PolarHBondContact NH2-OD1 3.12Å; R280-D653 IonicContact NH2-OD2 3.68Å; K355-D653 PolarHBondContact NZ-O 3.12Å; D653-G655 PolarHBondContact O-N 3.32Å |
| 654 | E | 65.7 | Low | 82.3 | Confident | 101 Ų | 101 | 35 Ų | 35 | 47% | 0.472 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -64.8 | -4.2 | 179.5 | -81.4 | -162.8 | -155.4 | 0 | 0 | 114.1 | K273 | K273-E654 WeakPolarHBondContact CD-OE1 3.48Å; K273-E654 WeakPolarHBondContact CE-OE1 3.45Å; K273-E654 IonicContact NZ-OE1 2.67Å; K273-E654 PolarHBondContact NZ-OE1 3.45Å |
| 655 | G | 66 | Low | 81.5 | Confident | 28 Ų | 28 | 38.1 Ų | 38.1 | 29% | 0.289 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -66.3 | 164.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D653 T657 | D653-G655 PolarHBondContact O-N 3.32Å; G655-T657 VanDerWaalsContact C-N 3.27Å; G655-T657 PolarHBondContact O-N 3.02Å |
| 656 | S | 63.7 | Low | 80.5 | Confident | 77 Ų | 77 | 44.5 Ų | 44.5 | 54% | 0.538 | 25% | 0.253 | S | S | . | . | trans | 47.2 | 37 | 161 | -55 | 0 | 0 | 0 | 0 | 117 | L658 | S656-L658 PolarHBondContact O-N 3.2Š| ||
| 657 | T | 74.7 | Confident | 79.4 | Confident | 19 Ų | 19 | 42.4 Ų | 42.4 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | trans | -66.8 | -3.7 | 178.4 | 61.2 | 0 | 0 | 0 | 0 | 115 | Y337 R350 K355 G655 | Y337-T657 WeakPolarHBondContact CE1-OG1 3.4Å; Y337-T657 VanDerWaalsContact CZ-OG1 3.32Å; Y337-T657 PolarHBondContact OH-OG1 3.3Å; Y337-T657 VanDerWaalsContact OH-OG1 3.1Å; R350-T657 HydrophobicContact CG-CG2 4.44Å; K355-T657 HydrophobicContact CD-CG2 4.5Å; G655-T657 VanDerWaalsContact C-N 3.27Å; G655-T657 PolarHBondContact O-N 3.02Å | ||
| 658 | L | 80.9 | Confident | 78.5 | Confident | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.089 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -126.1 | 130.7 | 177 | -69.7 | 168.6 | 0 | 0 | 0 | 108 | Y337 I338 S656 F662 N663 T667 | Y337-L658 HydrophobicContact CD1-CD1 4.32Å; Y337-L658 HydrophobicContact CD1-CD2 4.06Å; Y337-L658 HydrophobicContact CD1-CG 4.14Å; Y337-L658 HydrophobicContact CE1-CG 4.42Å; I338-L658 HydrophobicContact CD1-CD1 4.05Å; I338-L658 HydrophobicContact CG1-CD1 3.72Å; I338-L658 HydrophobicContact CG1-CD2 4.4Å; S656-L658 PolarHBondContact O-N 3.2Å; L658-F662 HydrophobicContact CD2-CB 4.43Å; L658-N663 HydrophobicContact CB-CB 4.39Å; L658-N663 VanDerWaalsContact O-CB 3.3Å; L658-N663 WeakPolarHBondContact O-CB 3.5Å; L658-T667 HydrophobicContact CD1-CG2 4.08Å |
| 659 | S | 84.2 | Confident | 77.5 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 11% | 0.105 | 29% | 0.288 | C | S | . | . | trans | -85.2 | 174.4 | 174.2 | -47.6 | 0 | 0 | 0 | 0 | 111 | Y358 Y359 F662 N663 | Y358-S659 VanDerWaalsContact C-OG 3.29Å; Y358-S659 PolarHBondContact O-OG 2.9Å; Y359-S659 WeakPolarHBondContact CA-OG 3.46Å; Y359-S659 PolarHBondContact N-OG 3.19Å; S659-F662 CarbonylContact O-C 3.54Å; S659-F662 PolarHBondContact O-N 3.24Å; S659-F662 VanDerWaalsContact O-N 3.14Å; S659-N663 WeakPolarHBondContact O-CB 3.42Å; S659-N663 PolarHBondContact O-N 3.44Å | ||
| 660 | A | 83.8 | Confident | 76.7 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.033 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 152.3 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | W330 S362 M412 F662 | W330-A660 WeakPolarHBondContact CH2-O 3.38Å; S362-A660 WeakPolarHBondContact CB-O 3.48Å; S362-A660 PolarHBondContact OG-O 3.39Å; M412-A660 HydrophobicContact CG-CB 4.15Å; A660-F662 VanDerWaalsContact C-N 3.32Å |
| 661 | P | 85 | Confident | 76.2 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -79.5 | -11.3 | -11.9 | 35 | -35 | 0 | 0 | 0 | 112.7 | I407 W408 N663 I664 | I407-P661 HydrophobicContact CG2-CB 3.71Å; W408-P661 HydrophobicContact CE3-CG 4.5Å; W408-P661 HydrophobicContact CH2-CG 4.34Å; W408-P661 HydrophobicContact CZ2-CG 4.35Å; W408-P661 HydrophobicContact CZ3-CG 4.4Å; P661-N663 PolarHBondContact O-N 2.68Å; P661-N663 VanDerWaalsContact O-N 3.08Å; P661-I664 PolarHBondContact O-N 2.89Å |
| 662 | F | 85.2 | Confident | 75.8 | Confident | 32 Ų | 32 | 57.7 Ų | 57.7 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -64.1 | -16.3 | -172.7 | -57.9 | -66.6 | 0 | 0 | 0 | 114.5 | W330 P331 I335 L658 S659 A660 I664 L665 | W330-F662 HydrophobicContact CE3-CD2 4.47Å; W330-F662 HydrophobicContact CE3-CE2 4.2Å; W330-F662 HydrophobicContact CH2-CD2 4.2Å; W330-F662 AromaticContact CH2-CE2 3.86Å; W330-F662 HydrophobicContact CH2-CE2 3.86Å; W330-F662 HydrophobicContact CZ2-CE2 4.27Å; W330-F662 AromaticContact CZ3-CD2 3.9Å; W330-F662 HydrophobicContact CZ3-CD2 3.9Å; W330-F662 AromaticContact CZ3-CE2 3.82Å; W330-F662 HydrophobicContact CZ3-CE2 3.82Å; P331-F662 HydrophobicContact CB-CE2 4.13Å; P331-F662 HydrophobicContact CB-CZ 3.75Å; I335-F662 HydrophobicContact CG1-CE1 4.49Å; L658-F662 HydrophobicContact CD2-CB 4.43Å; S659-F662 CarbonylContact O-C 3.54Å; S659-F662 PolarHBondContact O-N 3.24Å; S659-F662 VanDerWaalsContact O-N 3.14Å; A660-F662 VanDerWaalsContact C-N 3.32Å; F662-I664 PolarHBondContact O-N 2.93Å; F662-L665 HydrophobicContact CD1-CD1 4.11Å; F662-L665 WeakPolarHBondContact O-CB 3.47Å; F662-L665 PolarHBondContact O-N 3.23Å |
| 663 | N | 83.9 | Confident | 75.3 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 9% | 0.086 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -72 | -8.5 | 177.5 | 76.3 | -14.8 | 0 | 0 | 0 | 115.2 | G411 K418 L658 S659 P661 | G411-N663 VanDerWaalsContact CA-OD1 3.29Å; G411-N663 WeakPolarHBondContact CA-OD1 3.3Å; G411-N663 PolarHBondContact O-ND2 3.44Å; G411-N663 PolarHBondContact O-OD1 3.25Å; K418-N663 PolarHBondContact NZ-O 2.92Å; L658-N663 HydrophobicContact CB-CB 4.39Å; L658-N663 VanDerWaalsContact O-CB 3.3Å; L658-N663 WeakPolarHBondContact O-CB 3.5Å; S659-N663 WeakPolarHBondContact O-CB 3.42Å; S659-N663 PolarHBondContact O-N 3.44Å; P661-N663 PolarHBondContact O-N 2.68Å; P661-N663 VanDerWaalsContact O-N 3.08Å |
| 664 | I | 80.9 | Confident | 75.6 | Confident | 64 Ų | 64 | 63.5 Ų | 63.5 | 33% | 0.328 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -79.1 | -31.8 | 170 | -58.3 | 174.2 | 0 | 0 | 0 | 110.5 | I407 I410 P661 F662 I666 | I407-I664 HydrophobicContact CG2-CD1 4.17Å; I410-I664 HydrophobicContact CB-CD1 4.36Å; I410-I664 HydrophobicContact CG2-CD1 3.93Å; P661-I664 PolarHBondContact O-N 2.89Å; F662-I664 PolarHBondContact O-N 2.93Å; I664-I666 PolarHBondContact O-N 3.38Å |
| 665 | L | 77.4 | Confident | 76.3 | Confident | 96 Ų | 96 | 63.8 Ų | 63.8 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -66.3 | 119.9 | -175.7 | -61.7 | 176.6 | 0 | 0 | 0 | 111.3 | I338 F662 T667 | I338-L665 HydrophobicContact CD1-CB 4.3Å; I338-L665 HydrophobicContact CD1-CD1 3.86Å; F662-L665 HydrophobicContact CD1-CD1 4.11Å; F662-L665 WeakPolarHBondContact O-CB 3.47Å; F662-L665 PolarHBondContact O-N 3.23Å; L665-T667 PolarHBondContact O-N 3.03Å |
| 666 | I | 72 | Confident | 77 | Confident | 134 Ų | 134 | 64.5 Ų | 64.5 | 69% | 0.687 | 34% | 0.343 | S | S | * | . | trans | -74.2 | 98.8 | -173.4 | -47.8 | 178.1 | 0 | 0 | 0 | 109.8 | I664 A670 V671 | I664-I666 PolarHBondContact O-N 3.38Å; I666-A670 HydrophobicContact CG2-CB 4.45Å; I666-V671 HydrophobicContact CG2-CG2 3.6Å | ||
| 667 | T | 68.6 | Low | 77.6 | Confident | 36 Ų | 36 | 67.3 Ų | 67.3 | 22% | 0.221 | 35% | 0.346 | C | S | . | . | trans | -58.1 | 143.3 | 179.3 | 66.4 | 0 | 0 | 0 | 0 | 112 | L658 L665 K669 A670 V671 | L658-T667 HydrophobicContact CD1-CG2 4.08Å; L665-T667 PolarHBondContact O-N 3.03Å; T667-K669 PolarHBondContact O-N 3.41Å; T667-K669 VanDerWaalsContact O-N 3.12Å; T667-A670 WeakPolarHBondContact O-CA 3.24Å; T667-A670 WeakPolarHBondContact O-CB 3.32Å; T667-A670 PolarHBondContact O-N 2.93Å; T667-A670 WeakPolarHBondContact OG1-CB 3.26Å; T667-A670 PolarHBondContact OG1-N 3.21Å; T667-V671 PolarHBondContact O-N 3.18Å; T667-V671 VanDerWaalsContact O-N 3.12Å | ||
| 668 | P | 69.3 | Low | 78 | Confident | 86 Ų | 86 | 71 Ų | 71 | 56% | 0.558 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -57.1 | -31.2 | 177.5 | -27.5 | 35.3 | 0 | 0 | 0 | 113.7 | A670 V671 Y672 | P668-A670 VanDerWaalsContact C-N 3.3Å; P668-A670 PolarHBondContact O-N 3.16Å; P668-V671 PolarHBondContact O-N 3.43Å; P668-Y672 WeakPolarHBondContact O-CB 3.31Å; P668-Y672 PolarHBondContact O-N 3.39Å |
| 669 | K | 70.2 | Confident | 78 | Confident | 92 Ų | 92 | 77.3 Ų | 77.3 | 40% | 0.4 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.9 | -35.7 | 173.1 | -171.5 | -177.4 | 179.5 | -172.7 | 0 | 111.9 | T667 R673 | T667-K669 PolarHBondContact O-N 3.41Å; T667-K669 VanDerWaalsContact O-N 3.12Å; K669-R673 WeakPolarHBondContact O-CB 3.16Å; K669-R673 VanDerWaalsContact O-CG 3.29Å; K669-R673 WeakPolarHBondContact O-CG 3.33Å; K669-R673 PolarHBondContact O-N 3.09Å; K669-R673 VanDerWaalsContact O-N 3.15Å |
| 670 | A | 71.1 | Confident | 77.7 | Confident | 44 Ų | 44 | 82.7 Ų | 82.7 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -73.9 | -43.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I666 T667 P668 Y672 R673 C674 | I666-A670 HydrophobicContact CG2-CB 4.45Å; T667-A670 WeakPolarHBondContact O-CA 3.24Å; T667-A670 WeakPolarHBondContact O-CB 3.32Å; T667-A670 PolarHBondContact O-N 2.93Å; T667-A670 WeakPolarHBondContact OG1-CB 3.26Å; T667-A670 PolarHBondContact OG1-N 3.21Å; P668-A670 VanDerWaalsContact C-N 3.3Å; P668-A670 PolarHBondContact O-N 3.16Å; A670-Y672 PolarHBondContact O-N 3.49Å; A670-R673 PolarHBondContact O-N 3.5Å; A670-C674 VanDerWaalsContact O-CB 3.31Å; A670-C674 WeakPolarHBondContact O-CB 3.47Å; A670-C674 PolarHBondContact O-N 2.87Å |
| 671 | V | 72.8 | Confident | 77.4 | Confident | 64 Ų | 64 | 87.1 Ų | 87.1 | 39% | 0.388 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -57.2 | -50.3 | 175 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | I666 T667 P668 R673 C674 L675 | I666-V671 HydrophobicContact CG2-CG2 3.6Å; T667-V671 PolarHBondContact O-N 3.18Å; T667-V671 VanDerWaalsContact O-N 3.12Å; P668-V671 PolarHBondContact O-N 3.43Å; V671-R673 PolarHBondContact O-N 2.89Å; V671-C674 WeakPolarHBondContact O-CB 3.42Å; V671-C674 PolarHBondContact O-N 3.22Å; V671-C674 VanDerWaalsContact O-N 3.16Å; V671-L675 HydrophobicContact CG1-CD1 3.87Å; V671-L675 HydrophobicContact CG1-CG 4.27Å; V671-L675 WeakPolarHBondContact O-CG 3.25Å; V671-L675 PolarHBondContact O-N 2.91Å |
| 672 | Y | 77.4 | Confident | 77.2 | Confident | 163 Ų | 163 | 88 Ų | 88 | 64% | 0.639 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.1 | -43.8 | 178.2 | -177.9 | -95.4 | 0 | 0 | 0 | 112.8 | P668 A670 C674 T676 | P668-Y672 WeakPolarHBondContact O-CB 3.31Å; P668-Y672 PolarHBondContact O-N 3.39Å; A670-Y672 PolarHBondContact O-N 3.49Å; Y672-C674 VanDerWaalsContact C-N 3.33Å; Y672-C674 PolarHBondContact O-N 3.49Å; Y672-T676 HydrophobicContact CD1-CG2 4.22Å; Y672-T676 HydrophobicContact CD2-CG2 4.45Å; Y672-T676 HydrophobicContact CE1-CG2 3.81Å; Y672-T676 HydrophobicContact CE2-CG2 4.06Å; Y672-T676 WeakPolarHBondContact O-CB 3.33Å; Y672-T676 WeakPolarHBondContact O-CG2 3.23Å; Y672-T676 PolarHBondContact O-N 3.03Å; Y672-T676 PolarHBondContact O-OG1 3.3Å |
| 673 | R | 74.7 | Confident | 76.6 | Confident | 154 Ų | 154 | 89.6 Ų | 89.6 | 58% | 0.581 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.9 | -36.6 | 174 | -80 | 177.3 | 168.3 | -171.4 | -5.4 | 112.7 | K669 A670 V671 T676 K677 | K669-R673 WeakPolarHBondContact O-CB 3.16Å; K669-R673 VanDerWaalsContact O-CG 3.29Å; K669-R673 WeakPolarHBondContact O-CG 3.33Å; K669-R673 PolarHBondContact O-N 3.09Å; K669-R673 VanDerWaalsContact O-N 3.15Å; A670-R673 PolarHBondContact O-N 3.5Å; V671-R673 PolarHBondContact O-N 2.89Å; R673-T676 WeakPolarHBondContact CA-OG1 3.45Å; R673-T676 PolarHBondContact O-OG1 2.71Å; R673-K677 WeakPolarHBondContact O-CB 3.23Å; R673-K677 PolarHBondContact O-N 2.9Å |
| 674 | C | 79.4 | Confident | 76 | Confident | 69 Ų | 69 | 91.9 Ų | 91.9 | 47% | 0.466 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.9 | -53.4 | 176.6 | -166.9 | 0 | 0 | 0 | 0 | 110.9 | A670 V671 Y672 T676 K677 I678 | A670-C674 VanDerWaalsContact O-CB 3.31Å; A670-C674 WeakPolarHBondContact O-CB 3.47Å; A670-C674 PolarHBondContact O-N 2.87Å; V671-C674 WeakPolarHBondContact O-CB 3.42Å; V671-C674 PolarHBondContact O-N 3.22Å; V671-C674 VanDerWaalsContact O-N 3.16Å; Y672-C674 VanDerWaalsContact C-N 3.33Å; Y672-C674 PolarHBondContact O-N 3.49Å; C674-T676 VanDerWaalsContact C-N 3.34Å; C674-T676 PolarHBondContact O-N 3.44Å; C674-K677 PolarHBondContact O-N 2.86Å; C674-K677 VanDerWaalsContact O-N 3.13Å; C674-I678 WeakPolarHBondContact O-CG1 3.26Å; C674-I678 PolarHBondContact O-N 3.44Å |
| 675 | L | 82 | Confident | 75.7 | Confident | 107 Ų | 107 | 99.8 Ų | 99.8 | 56% | 0.56 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.4 | -41.1 | 178.1 | -69 | 175.6 | 0 | 0 | 0 | 112.5 | V671 I678 Y679 | V671-L675 HydrophobicContact CG1-CD1 3.87Å; V671-L675 HydrophobicContact CG1-CG 4.27Å; V671-L675 WeakPolarHBondContact O-CG 3.25Å; V671-L675 PolarHBondContact O-N 2.91Å; L675-I678 PolarHBondContact O-N 2.9Å; L675-Y679 VanDerWaalsContact O-CB 3.28Å; L675-Y679 WeakPolarHBondContact O-CB 3.44Å; L675-Y679 PolarHBondContact O-N 2.89Å |
| 676 | T | 79.7 | Confident | 75.5 | Confident | 42 Ų | 42 | 101.6 Ų | 101.6 | 26% | 0.258 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.5 | -35.5 | 175.3 | 50.3 | 0 | 0 | 0 | 0 | 113 | Y672 R673 C674 Q680 | Y672-T676 HydrophobicContact CD1-CG2 4.22Å; Y672-T676 HydrophobicContact CD2-CG2 4.45Å; Y672-T676 HydrophobicContact CE1-CG2 3.81Å; Y672-T676 HydrophobicContact CE2-CG2 4.06Å; Y672-T676 WeakPolarHBondContact O-CB 3.33Å; Y672-T676 WeakPolarHBondContact O-CG2 3.23Å; Y672-T676 PolarHBondContact O-N 3.03Å; Y672-T676 PolarHBondContact O-OG1 3.3Å; R673-T676 WeakPolarHBondContact CA-OG1 3.45Å; R673-T676 PolarHBondContact O-OG1 2.71Å; C674-T676 VanDerWaalsContact C-N 3.34Å; C674-T676 PolarHBondContact O-N 3.44Å; T676-Q680 WeakPolarHBondContact O-CB 3.3Å; T676-Q680 VanDerWaalsContact O-CG 3.22Å; T676-Q680 WeakPolarHBondContact O-CG 3.49Å; T676-Q680 PolarHBondContact O-N 3.41Å |
| 677 | K | 77.3 | Confident | 74.7 | Confident | 137 Ų | 137 | 97.7 Ų | 97.7 | 60% | 0.596 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.4 | -45.9 | 169.4 | -96.1 | -164.4 | 171.6 | -169.5 | 0 | 112.1 | R673 C674 Y679 Q680 I681 | R673-K677 WeakPolarHBondContact O-CB 3.23Å; R673-K677 PolarHBondContact O-N 2.9Å; C674-K677 PolarHBondContact O-N 2.86Å; C674-K677 VanDerWaalsContact O-N 3.13Å; K677-Y679 VanDerWaalsContact C-N 3.32Å; K677-Y679 PolarHBondContact O-N 2.88Å; K677-Q680 PolarHBondContact O-N 3.08Å; K677-Q680 VanDerWaalsContact O-N 3.17Å; K677-I681 VanDerWaalsContact O-CG1 3.28Å; K677-I681 WeakPolarHBondContact O-CG1 3.36Å; K677-I681 PolarHBondContact O-N 3.46Å |
| 678 | I | 82.8 | Confident | 74 | Confident | 96 Ų | 96 | 102.2 Ų | 102.2 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 177.2 | -68.7 | 165.6 | 0 | 0 | 0 | 110 | C674 L675 I681 A682 | C674-I678 WeakPolarHBondContact O-CG1 3.26Å; C674-I678 PolarHBondContact O-N 3.44Å; L675-I678 PolarHBondContact O-N 2.9Å; I678-I681 PolarHBondContact O-N 3.47Å; I678-A682 VanDerWaalsContact O-CB 3.32Å; I678-A682 WeakPolarHBondContact O-CB 3.3Å; I678-A682 PolarHBondContact O-N 3.01Å |
| 679 | Y | 81.2 | Confident | 73.2 | Confident | 149 Ų | 149 | 104 Ų | 104 | 58% | 0.584 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.5 | -39.5 | 174.6 | 178.3 | -96.1 | 0 | 0 | 0 | 112.9 | L675 K677 K683 | L675-Y679 VanDerWaalsContact O-CB 3.28Å; L675-Y679 WeakPolarHBondContact O-CB 3.44Å; L675-Y679 PolarHBondContact O-N 2.89Å; K677-Y679 VanDerWaalsContact C-N 3.32Å; K677-Y679 PolarHBondContact O-N 2.88Å; Y679-K683 HydrophobicContact CE1-CD 4.24Å; Y679-K683 WeakPolarHBondContact O-CB 3.44Å; Y679-K683 PolarHBondContact O-N 3.27Å |
| 680 | Q | 76.9 | Confident | 72.1 | Confident | 128 Ų | 128 | 104.1 Ų | 104.1 | 60% | 0.598 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.9 | -41.2 | 174.6 | -77.1 | 170.7 | 6 | 0 | 0 | 112.2 | T676 K677 K683 A684 | T676-Q680 WeakPolarHBondContact O-CB 3.3Å; T676-Q680 VanDerWaalsContact O-CG 3.22Å; T676-Q680 WeakPolarHBondContact O-CG 3.49Å; T676-Q680 PolarHBondContact O-N 3.41Å; K677-Q680 PolarHBondContact O-N 3.08Å; K677-Q680 VanDerWaalsContact O-N 3.17Å; Q680-K683 PolarHBondContact O-N 3.21Å; Q680-A684 WeakPolarHBondContact O-CB 3.14Å; Q680-A684 PolarHBondContact O-N 3.41Å |
| 681 | I | 78.7 | Confident | 71 | Confident | 97 Ų | 97 | 107.3 Ų | 107.3 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.5 | -49.2 | 175.4 | -67.9 | 162.7 | 0 | 0 | 0 | 109.8 | K677 I678 K683 A684 W685 | K677-I681 VanDerWaalsContact O-CG1 3.28Å; K677-I681 WeakPolarHBondContact O-CG1 3.36Å; K677-I681 PolarHBondContact O-N 3.46Å; I678-I681 PolarHBondContact O-N 3.47Å; I681-K683 VanDerWaalsContact C-N 3.29Å; I681-K683 PolarHBondContact O-N 3.19Å; I681-A684 WeakPolarHBondContact O-CB 3.4Å; I681-A684 PolarHBondContact O-N 2.85Å; I681-A684 VanDerWaalsContact O-N 3.13Å; I681-W685 PolarHBondContact O-N 3.08Å |
| 682 | A | 79.4 | Confident | 69.8 | Low | 43 Ų | 43 | 113.8 Ų | 113.8 | 36% | 0.355 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -58.2 | -40.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I678 W685 L686 | I678-A682 VanDerWaalsContact O-CB 3.32Å; I678-A682 WeakPolarHBondContact O-CB 3.3Å; I678-A682 PolarHBondContact O-N 3.01Å; A682-W685 PolarHBondContact O-N 3.17Å; A682-L686 WeakPolarHBondContact O-CB 3.48Å; A682-L686 WeakPolarHBondContact O-CG 3.48Å; A682-L686 PolarHBondContact O-N 2.97Å |
| 683 | K | 72.5 | Confident | 68.5 | Low | 65 Ų | 65 | 108.1 Ų | 108.1 | 28% | 0.283 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.1 | -31.3 | 176.7 | -173.7 | 161 | -172.9 | 153.2 | 0 | 113.5 | Y679 Q680 I681 G687 Q688 | Y679-K683 HydrophobicContact CE1-CD 4.24Å; Y679-K683 WeakPolarHBondContact O-CB 3.44Å; Y679-K683 PolarHBondContact O-N 3.27Å; Q680-K683 PolarHBondContact O-N 3.21Å; I681-K683 VanDerWaalsContact C-N 3.29Å; I681-K683 PolarHBondContact O-N 3.19Å; K683-G687 PolarHBondContact O-N 3.29Å; K683-Q688 WeakPolarHBondContact CE-O 3.45Å; K683-Q688 HydrophobicContact CG-CB 4.18Å; K683-Q688 PolarHBondContact O-N 3.37Å |
| 684 | A | 71.4 | Confident | 67.3 | Low | 63 Ų | 63 | 111.6 Ų | 111.6 | 52% | 0.521 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.9 | -43.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q680 I681 L686 G687 | Q680-A684 WeakPolarHBondContact O-CB 3.14Å; Q680-A684 PolarHBondContact O-N 3.41Å; I681-A684 WeakPolarHBondContact O-CB 3.4Å; I681-A684 PolarHBondContact O-N 2.85Å; I681-A684 VanDerWaalsContact O-N 3.13Å; A684-L686 VanDerWaalsContact C-N 3.32Å; A684-L686 PolarHBondContact O-N 3.12Å; A684-G687 PolarHBondContact O-N 2.91Å; A684-G687 VanDerWaalsContact O-N 3.13Å |
| 685 | W | 74.2 | Confident | 66 | Low | 231 Ų | 231 | 112.6 Ų | 112.6 | 88% | 0.875 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.8 | -36.5 | 172.4 | -87.2 | 73.8 | 0 | 0 | 0 | 112.7 | I681 A682 G687 | I681-W685 PolarHBondContact O-N 3.08Å; A682-W685 PolarHBondContact O-N 3.17Å; W685-G687 PolarHBondContact O-N 3.24Å |
| 686 | L | 73.1 | Confident | 64.6 | Low | 133 Ų | 133 | 111.1 Ų | 111.1 | 70% | 0.696 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | 11 | 174.4 | -77.8 | 160.7 | 0 | 0 | 0 | 114 | A682 A684 Q688 | A682-L686 WeakPolarHBondContact O-CB 3.48Å; A682-L686 WeakPolarHBondContact O-CG 3.48Å; A682-L686 PolarHBondContact O-N 2.97Å; A684-L686 VanDerWaalsContact C-N 3.32Å; A684-L686 PolarHBondContact O-N 3.12Å; L686-Q688 PolarHBondContact O-N 3.21Å |
| 687 | G | 55.5 | Low | 63.5 | Low | 52 Ų | 52 | 114.5 Ų | 114.5 | 54% | 0.536 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 67 | -3.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | K683 A684 W685 T689 | K683-G687 PolarHBondContact O-N 3.29Å; A684-G687 PolarHBondContact O-N 2.91Å; A684-G687 VanDerWaalsContact O-N 3.13Å; W685-G687 PolarHBondContact O-N 3.24Å; G687-T689 PolarHBondContact O-N 3.48Å |
| 688 | Q | 55.5 | Low | 62.6 | Low | 132 Ų | 132 | 118 Ų | 118 | 62% | 0.617 | 60% | 0.601 | S | S | * | * | trans | -81.7 | 61.8 | -175.9 | -70.1 | -166.4 | -1.3 | 0 | 0 | 112.8 | K683 L686 S690 | K683-Q688 WeakPolarHBondContact CE-O 3.45Å; K683-Q688 HydrophobicContact CG-CB 4.18Å; K683-Q688 PolarHBondContact O-N 3.37Å; L686-Q688 PolarHBondContact O-N 3.21Å; Q688-S690 PolarHBondContact O-N 3.23Å | ||
| 689 | T | 50.7 | Low | 61.5 | Low | 123 Ų | 123 | 117.7 Ų | 117.7 | 76% | 0.755 | 60% | 0.597 | S | S | * | * | trans | -72.2 | 63.6 | 171.9 | 47.8 | 0 | 0 | 0 | 0 | 111.6 | G687 S691 | G687-T689 PolarHBondContact O-N 3.48Å; T689-S691 PolarHBondContact O-N 3.27Å | ||
| 690 | S | 49.1 | Very low | 60.8 | Low | 94 Ų | 94 | 116.7 Ų | 116.7 | 66% | 0.657 | 59% | 0.592 | S | S | * | * | trans | -55.7 | 111.2 | 177.5 | -178.2 | 0 | 0 | 0 | 0 | 111 | Q688 R692 | Q688-S690 PolarHBondContact O-N 3.23Å; S690-R692 PolarHBondContact O-N 3.28Å | ||
| 691 | S | 46.2 | Very low | 60.4 | Low | 111 Ų | 111 | 118.4 Ų | 118.4 | 78% | 0.776 | 59% | 0.593 | S | S | * | * | trans | -66.3 | 94.5 | -178.3 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | T689 G693 | T689-S691 PolarHBondContact O-N 3.27Å; S691-G693 PolarHBondContact O-N 3.04Å | ||
| 692 | R | 47.5 | Very low | 60.1 | Low | 200 Ų | 200 | 117.5 Ų | 117.5 | 76% | 0.755 | 59% | 0.592 | S | S | * | * | trans | -74 | 32.6 | 167.3 | -80.1 | -175 | 162.6 | -178.4 | -5.3 | 112.7 | S690 R694 P695 L696 | S690-R692 PolarHBondContact O-N 3.28Å; R692-R694 PolarHBondContact O-N 3.37Å; R692-R694 VanDerWaalsContact O-N 3.08Å; R692-P695 WeakPolarHBondContact O-CD 3.48Å; R692-L696 HydrophobicContact CB-CD1 4.12Å; R692-L696 WeakPolarHBondContact O-CD1 3.19Å | ||
| 693 | G | 50.2 | Low | 59.6 | Low | 44 Ų | 44 | 115.6 Ų | 115.6 | 45% | 0.454 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70 | -0.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | S691 | S691-G693 PolarHBondContact O-N 3.04Š|
| 694 | R | 49.5 | Very low | 59.8 | Low | 228 Ų | 228 | 116 Ų | 116 | 86% | 0.86 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | -47.3 | -175.4 | -62 | -171.1 | -178.3 | -170.1 | 0.7 | 115.4 | R692 | R692-R694 PolarHBondContact O-N 3.37Å; R692-R694 VanDerWaalsContact O-N 3.08Å |
| 695 | P | 51.8 | Low | 60 | Low | 90 Ų | 90 | 120.9 Ų | 120.9 | 58% | 0.584 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.1 | -35.8 | 175.6 | 25.9 | -33.6 | 0 | 0 | 0 | 112.9 | R692 Q697 | R692-P695 WeakPolarHBondContact O-CD 3.48Å; P695-Q697 VanDerWaalsContact C-N 3.3Å; P695-Q697 PolarHBondContact O-N 2.91Å |
| 696 | L | 53.9 | Low | 60 | Low | 75 Ų | 75 | 112.1 Ų | 112.1 | 39% | 0.393 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.6 | -31.2 | 179.8 | -85.4 | 94.3 | 0 | 0 | 0 | 113 | R692 R698 H699 W700 | R692-L696 HydrophobicContact CB-CD1 4.12Å; R692-L696 WeakPolarHBondContact O-CD1 3.19Å; L696-R698 VanDerWaalsContact C-N 3.33Å; L696-R698 PolarHBondContact O-N 3.39Å; L696-H699 WeakPolarHBondContact O-CB 3.49Å; L696-H699 PolarHBondContact O-N 3.28Å; L696-H699 VanDerWaalsContact O-N 3.1Å; L696-W700 HydrophobicContact CD2-CZ2 4.47Å; L696-W700 PolarHBondContact O-N 3.46Å |
| 697 | Q | 56.8 | Low | 60 | Low | 114 Ų | 114 | 111 Ų | 111 | 53% | 0.533 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -67.1 | -32.3 | -174.6 | -159.4 | -175.6 | 27.9 | 0 | 0 | 113 | P695 R701 | P695-Q697 VanDerWaalsContact C-N 3.3Å; P695-Q697 PolarHBondContact O-N 2.91Å; Q697-R701 WeakPolarHBondContact O-CG 3.35Å; Q697-R701 PolarHBondContact O-N 2.87Å |
| 698 | R | 58.1 | Low | 61 | Low | 210 Ų | 210 | 109.9 Ų | 109.9 | 79% | 0.792 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.1 | -42.9 | 170.1 | -71.2 | -174.7 | 178.2 | -179.5 | -1.1 | 110.9 | L696 R701 T702 | L696-R698 VanDerWaalsContact C-N 3.33Å; L696-R698 PolarHBondContact O-N 3.39Å; R698-R701 PolarHBondContact O-N 2.64Å; R698-T702 PolarHBondContact O-N 3.35Å; R698-T702 PolarHBondContact O-OG1 3.4Å |
| 699 | H | 59.8 | Low | 62.1 | Low | 90 Ų | 90 | 107.3 Ų | 107.3 | 42% | 0.417 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 179.4 | -160.7 | 68.2 | 0 | 0 | 0 | 112.4 | P266 L696 R701 T702 I703 | P266-H699 WeakPolarHBondContact CG-CE1 3.33Å; P266-H699 WeakPolarHBondContact CG-NE2 3.42Å; L696-H699 WeakPolarHBondContact O-CB 3.49Å; L696-H699 PolarHBondContact O-N 3.28Å; L696-H699 VanDerWaalsContact O-N 3.1Å; H699-R701 VanDerWaalsContact C-N 3.33Å; H699-R701 PolarHBondContact O-N 2.89Å; H699-T702 WeakPolarHBondContact O-CB 3.49Å; H699-T702 PolarHBondContact O-N 3.42Å; H699-T702 VanDerWaalsContact O-N 3.11Å; H699-I703 WeakPolarHBondContact O-CG1 3.24Å; H699-I703 PolarHBondContact O-N 3Å |
| 700 | W | 65.9 | Low | 63.4 | Low | 128 Ų | 128 | 104.3 Ų | 104.3 | 49% | 0.485 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.4 | -39.1 | 174.5 | -73.5 | 124.6 | 0 | 0 | 0 | 112.8 | L696 I703 S704 | L696-W700 HydrophobicContact CD2-CZ2 4.47Å; L696-W700 PolarHBondContact O-N 3.46Å; W700-I703 HydrophobicContact CE3-CD1 4.01Å; W700-I703 HydrophobicContact CZ3-CD1 4.3Å; W700-I703 PolarHBondContact O-N 3.07Å; W700-S704 WeakPolarHBondContact O-CB 3.46Å; W700-S704 PolarHBondContact O-N 3.4Å; W700-S704 PolarHBondContact O-OG 3.44Å |
| 701 | R | 69.5 | Low | 64.8 | Low | 164 Ų | 164 | 104 Ų | 104 | 62% | 0.619 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.9 | -37.5 | 174.4 | -73.1 | 175.6 | -175.8 | -168.7 | 2.6 | 112.2 | Q697 R698 H699 S704 Y705 | Q697-R701 WeakPolarHBondContact O-CG 3.35Å; Q697-R701 PolarHBondContact O-N 2.87Å; R698-R701 PolarHBondContact O-N 2.64Å; H699-R701 VanDerWaalsContact C-N 3.33Å; H699-R701 PolarHBondContact O-N 2.89Å; R701-S704 PolarHBondContact O-OG 2.8Å; R701-Y705 VanDerWaalsContact O-CB 3.26Å; R701-Y705 WeakPolarHBondContact O-CB 3.47Å; R701-Y705 PolarHBondContact O-N 3.47Å |
| 702 | T | 71 | Confident | 66.5 | Low | 77 Ų | 77 | 105.1 Ų | 105.1 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.4 | -44.8 | 173.8 | -53.1 | 0 | 0 | 0 | 0 | 111.4 | R698 H699 Y705 L706 | R698-T702 PolarHBondContact O-N 3.35Å; R698-T702 PolarHBondContact O-OG1 3.4Å; H699-T702 WeakPolarHBondContact O-CB 3.49Å; H699-T702 PolarHBondContact O-N 3.42Å; H699-T702 VanDerWaalsContact O-N 3.11Å; T702-Y705 PolarHBondContact O-N 2.88Å; T702-L706 HydrophobicContact CG2-CD1 4.06Å; T702-L706 WeakPolarHBondContact O-CB 3.31Å; T702-L706 VanDerWaalsContact O-CG 3.31Å; T702-L706 WeakPolarHBondContact O-CG 3.32Å; T702-L706 PolarHBondContact O-N 3.42Å |
| 703 | I | 70 | Confident | 68.2 | Low | 4 Ų | 4 | 99.5 Ų | 99.5 | 2% | 0.021 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 175.8 | -65.7 | 161.4 | 0 | 0 | 0 | 110.7 | P266 H699 W700 L706 R707 | P266-I703 HydrophobicContact CB-CG1 4Å; P266-I703 HydrophobicContact CG-CD1 4.03Å; P266-I703 HydrophobicContact CG-CG1 3.81Å; H699-I703 WeakPolarHBondContact O-CG1 3.24Å; H699-I703 PolarHBondContact O-N 3Å; W700-I703 HydrophobicContact CE3-CD1 4.01Å; W700-I703 HydrophobicContact CZ3-CD1 4.3Å; W700-I703 PolarHBondContact O-N 3.07Å; I703-L706 PolarHBondContact O-N 2.92Å; I703-R707 WeakPolarHBondContact O-CB 3.29Å; I703-R707 PolarHBondContact O-N 2.69Å |
| 704 | S | 76 | Confident | 69.7 | Low | 74 Ų | 74 | 98 Ų | 98 | 52% | 0.517 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.1 | -36 | -179.5 | 69 | 0 | 0 | 0 | 0 | 112.5 | W700 R701 G708 | W700-S704 WeakPolarHBondContact O-CB 3.46Å; W700-S704 PolarHBondContact O-N 3.4Å; W700-S704 PolarHBondContact O-OG 3.44Å; R701-S704 PolarHBondContact O-OG 2.8Å; S704-G708 PolarHBondContact O-N 3.3Å |
| 705 | Y | 76.3 | Confident | 71.4 | Confident | 164 Ų | 164 | 88.9 Ų | 88.9 | 64% | 0.643 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.2 | -48.2 | 172.4 | 178.6 | -98.1 | 0 | 0 | 0 | 112 | R701 T702 R707 G708 L709 | R701-Y705 VanDerWaalsContact O-CB 3.26Å; R701-Y705 WeakPolarHBondContact O-CB 3.47Å; R701-Y705 PolarHBondContact O-N 3.47Å; T702-Y705 PolarHBondContact O-N 2.88Å; Y705-R707 PolarHBondContact O-N 2.98Å; Y705-G708 PolarHBondContact O-N 3.21Å; Y705-L709 PolarHBondContact O-N 2.9Å |
| 706 | L | 73.9 | Confident | 73.2 | Confident | 47 Ų | 47 | 86.3 Ų | 86.3 | 25% | 0.246 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 176.8 | -69.8 | 171.8 | 0 | 0 | 0 | 112 | I269 T702 I703 G708 L709 Q710 | I269-L706 HydrophobicContact CD1-CB 4.31Å; I269-L706 HydrophobicContact CD1-CD1 3.84Å; T702-L706 HydrophobicContact CG2-CD1 4.06Å; T702-L706 WeakPolarHBondContact O-CB 3.31Å; T702-L706 VanDerWaalsContact O-CG 3.31Å; T702-L706 WeakPolarHBondContact O-CG 3.32Å; T702-L706 PolarHBondContact O-N 3.42Å; I703-L706 PolarHBondContact O-N 2.92Å; L706-G708 VanDerWaalsContact C-N 3.33Å; L706-G708 PolarHBondContact O-N 2.93Å; L706-L709 PolarHBondContact O-N 2.73Å; L706-Q710 WeakPolarHBondContact O-CB 3.22Å; L706-Q710 PolarHBondContact O-N 2.85Å |
| 707 | R | 72.2 | Confident | 74.9 | Confident | 111 Ų | 111 | 83.2 Ų | 83.2 | 42% | 0.419 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 174.1 | -176 | 175.7 | -72.4 | 169.9 | -1.3 | 111.6 | D264 I703 Y705 Q711 | D264-R707 IonicContact OD1-CZ 3.32Å; D264-R707 IonicContact OD1-NH1 2.79Å; D264-R707 IonicContact OD1-NH2 3.89Å; D264-R707 PolarHBondContact OD1-NH2 3.13Å; I703-R707 WeakPolarHBondContact O-CB 3.29Å; I703-R707 PolarHBondContact O-N 2.69Å; Y705-R707 PolarHBondContact O-N 2.98Å; R707-Q711 VanDerWaalsContact O-CB 3.27Å; R707-Q711 WeakPolarHBondContact O-CB 3.45Å; R707-Q711 PolarHBondContact O-N 2.78Å |
| 708 | G | 77.4 | Confident | 76.5 | Confident | 27 Ų | 27 | 78.1 Ų | 78.1 | 28% | 0.278 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.6 | -51.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | S704 Y705 L706 Q710 Q711 H712 | S704-G708 PolarHBondContact O-N 3.3Å; Y705-G708 PolarHBondContact O-N 3.21Å; L706-G708 VanDerWaalsContact C-N 3.33Å; L706-G708 PolarHBondContact O-N 2.93Å; G708-Q710 PolarHBondContact O-N 3.16Å; G708-Q711 WeakPolarHBondContact O-CB 3.32Å; G708-Q711 PolarHBondContact O-N 3.49Å; G708-H712 PolarHBondContact O-CD2 2.81Å; G708-H712 PolarHBondContact O-N 3.47Å |
| 709 | L | 79.1 | Confident | 78.2 | Confident | 79 Ų | 79 | 74.7 Ų | 74.7 | 41% | 0.414 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -58 | -46.2 | 179.2 | -176.2 | 64.2 | 0 | 0 | 0 | 112.1 | Y705 L706 H712 I713 | Y705-L709 PolarHBondContact O-N 2.9Å; L706-L709 PolarHBondContact O-N 2.73Å; L709-H712 PolarHBondContact O-N 3.34Å; L709-I713 HydrophobicContact CG-CD1 4.12Å; L709-I713 WeakPolarHBondContact O-CG1 3.4Å; L709-I713 PolarHBondContact O-N 3.49Å |
| 710 | Q | 76.2 | Confident | 79.8 | Confident | 59 Ų | 59 | 77.7 Ų | 77.7 | 28% | 0.276 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 177.1 | -176 | 170.6 | -22.1 | 0 | 0 | 112.4 | L706 G708 I713 R714 | L706-Q710 WeakPolarHBondContact O-CB 3.22Å; L706-Q710 PolarHBondContact O-N 2.85Å; G708-Q710 PolarHBondContact O-N 3.16Å; Q710-I713 PolarHBondContact O-N 2.91Å; Q710-R714 WeakPolarHBondContact O-CB 3.45Å; Q710-R714 PolarHBondContact O-N 3.46Å |
| 711 | Q | 79.7 | Confident | 81.1 | Confident | 89 Ų | 89 | 71.7 Ų | 71.7 | 42% | 0.416 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.6 | -41.3 | 172.3 | 175 | 70.5 | -24 | 0 | 0 | 111.4 | R707 G708 R714 T715 | R707-Q711 VanDerWaalsContact O-CB 3.27Å; R707-Q711 WeakPolarHBondContact O-CB 3.45Å; R707-Q711 PolarHBondContact O-N 2.78Å; G708-Q711 WeakPolarHBondContact O-CB 3.32Å; G708-Q711 PolarHBondContact O-N 3.49Å; Q711-R714 PolarHBondContact O-N 2.99Å; Q711-R714 VanDerWaalsContact OE1-CZ 3.32Å; Q711-T715 PolarHBondContact O-N 3.29Å; Q711-T715 PolarHBondContact O-OG1 3.49Å; Q711-T715 VanDerWaalsContact O-OG1 3.1Å |
| 712 | H | 82.1 | Confident | 82.3 | Confident | 134 Ų | 134 | 64.7 Ų | 64.7 | 62% | 0.62 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -63.4 | -46.1 | 175.3 | -72.7 | -61.4 | 0 | 0 | 0 | 112.3 | G708 L709 R714 T715 A716 | G708-H712 PolarHBondContact O-CD2 2.81Å; G708-H712 PolarHBondContact O-N 3.47Å; L709-H712 PolarHBondContact O-N 3.34Å; H712-R714 VanDerWaalsContact C-N 3.34Å; H712-R714 PolarHBondContact O-N 3.03Å; H712-T715 WeakPolarHBondContact CA-OG1 3.09Å; H712-T715 PolarHBondContact O-N 3.15Å; H712-T715 PolarHBondContact O-OG1 3.34Å; H712-A716 PolarHBondContact O-N 3.44Å |
| 713 | I | 82.6 | Confident | 83.4 | Confident | 82 Ų | 82 | 64.8 Ų | 64.8 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.8 | -47.6 | 174.4 | -68 | 164.2 | 0 | 0 | 0 | 110.1 | L709 Q710 T715 A716 I717 | L709-I713 HydrophobicContact CG-CD1 4.12Å; L709-I713 WeakPolarHBondContact O-CG1 3.4Å; L709-I713 PolarHBondContact O-N 3.49Å; Q710-I713 PolarHBondContact O-N 2.91Å; I713-T715 PolarHBondContact O-N 3.01Å; I713-A716 PolarHBondContact O-N 3.5Å; I713-I717 HydrophobicContact CG2-CD1 3.9Å; I713-I717 WeakPolarHBondContact O-CG1 3.33Å; I713-I717 PolarHBondContact O-N 2.95Å |
| 714 | R | 81.3 | Confident | 84.6 | Confident | 13 Ų | 13 | 67 Ų | 67 | 5% | 0.049 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.8 | -42 | 177.1 | -169.4 | -160.8 | 62.1 | 71.2 | 6.5 | 112.2 | S203 D204 Q710 Q711 H712 I717 M718 | S203-R714 PolarHBondContact O-NH1 3.46Å; S203-R714 VanDerWaalsContact O-NH1 3.1Å; S203-R714 PolarHBondContact O-NH2 3.49Å; S203-R714 VanDerWaalsContact O-NH2 3.16Å; D204-R714 IonicContact OD1-NH1 3.22Å; D204-R714 IonicContact OD2-NH1 2.55Å; Q710-R714 WeakPolarHBondContact O-CB 3.45Å; Q710-R714 PolarHBondContact O-N 3.46Å; Q711-R714 PolarHBondContact O-N 2.99Å; Q711-R714 VanDerWaalsContact OE1-CZ 3.32Å; H712-R714 VanDerWaalsContact C-N 3.34Å; H712-R714 PolarHBondContact O-N 3.03Å; R714-I717 PolarHBondContact O-N 2.94Å; R714-M718 VanDerWaalsContact O-CG 3.29Å; R714-M718 WeakPolarHBondContact O-CG 3.27Å; R714-M718 PolarHBondContact O-N 2.72Å |
| 715 | T | 86.2 | Confident | 85.5 | Confident | 36 Ų | 36 | 64.2 Ų | 64.2 | 22% | 0.221 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 176 | 44.9 | 0 | 0 | 0 | 0 | 112.3 | Q711 H712 I713 M718 Q719 | Q711-T715 PolarHBondContact O-N 3.29Å; Q711-T715 PolarHBondContact O-OG1 3.49Å; Q711-T715 VanDerWaalsContact O-OG1 3.1Å; H712-T715 WeakPolarHBondContact CA-OG1 3.09Å; H712-T715 PolarHBondContact O-N 3.15Å; H712-T715 PolarHBondContact O-OG1 3.34Å; I713-T715 PolarHBondContact O-N 3.01Å; T715-M718 PolarHBondContact O-N 2.9Å; T715-Q719 WeakPolarHBondContact O-CB 3.28Å; T715-Q719 WeakPolarHBondContact O-CG 3.24Å; T715-Q719 PolarHBondContact O-N 3.15Å |
| 716 | A | 89.5 | Confident | 86.4 | Confident | 35 Ų | 35 | 57.6 Ų | 57.6 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.6 | -38.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H712 I713 R720 | H712-A716 PolarHBondContact O-N 3.44Å; I713-A716 PolarHBondContact O-N 3.5Å; A716-R720 WeakPolarHBondContact O-CD 3.36Å; A716-R720 VanDerWaalsContact O-CG 3.24Å; A716-R720 WeakPolarHBondContact O-CG 3.47Å; A716-R720 PolarHBondContact O-N 2.88Å |
| 717 | I | 89.9 | Confident | 87.3 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 6% | 0.056 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.3 | -50 | 171.2 | -69.6 | 168.4 | 0 | 0 | 0 | 110.1 | E253 I713 R714 Q719 R720 L721 | E253-I717 HydrophobicContact CB-CG2 4.33Å; E253-I717 HydrophobicContact CG-CG2 4.28Å; I713-I717 HydrophobicContact CG2-CD1 3.9Å; I713-I717 WeakPolarHBondContact O-CG1 3.33Å; I713-I717 PolarHBondContact O-N 2.95Å; R714-I717 PolarHBondContact O-N 2.94Å; I717-Q719 PolarHBondContact O-N 3.47Å; I717-R720 PolarHBondContact O-N 3.48Å; I717-R720 VanDerWaalsContact O-N 3.17Å; I717-L721 HydrophobicContact CG2-CD1 3.83Å; I717-L721 HydrophobicContact CG2-CG 4.29Å; I717-L721 WeakPolarHBondContact O-CG 3.36Å; I717-L721 PolarHBondContact O-N 3.23Å |
| 718 | M | 90.8 | Very high | 88.3 | Confident | 7 Ų | 7 | 59.8 Ų | 59.8 | 3% | 0.034 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.6 | -42.1 | 179.6 | -70.5 | -70.2 | 175.5 | 0 | 0 | 112.4 | P205 V206 V257 R714 T715 R720 L721 V722 | P205-M718 HydrophobicContact CG-SD 4.29Å; V206-M718 HydrophobicContact CG2-CE 4.25Å; V206-M718 HydrophobicContact CG2-SD 4.29Å; V257-M718 HydrophobicContact CB-CE 4.36Å; V257-M718 HydrophobicContact CG1-CE 4.46Å; V257-M718 HydrophobicContact CG2-CE 3.96Å; R714-M718 VanDerWaalsContact O-CG 3.29Å; R714-M718 WeakPolarHBondContact O-CG 3.27Å; R714-M718 PolarHBondContact O-N 2.72Å; T715-M718 PolarHBondContact O-N 2.9Å; M718-R720 PolarHBondContact O-N 2.99Å; M718-L721 PolarHBondContact O-N 2.95Å; M718-V722 WeakPolarHBondContact O-CB 3.37Å; M718-V722 WeakPolarHBondContact O-CG2 3.49Å; M718-V722 PolarHBondContact O-N 3.47Å |
| 719 | Q | 92.2 | Very high | 88.9 | Confident | 137 Ų | 137 | 59.9 Ų | 59.9 | 64% | 0.64 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.4 | -41.8 | 174.8 | -75.5 | 170.8 | -30 | 0 | 0 | 112.2 | T715 I717 S723 | T715-Q719 WeakPolarHBondContact O-CB 3.28Å; T715-Q719 WeakPolarHBondContact O-CG 3.24Å; T715-Q719 PolarHBondContact O-N 3.15Å; I717-Q719 PolarHBondContact O-N 3.47Å; Q719-S723 VanDerWaalsContact O-CB 3.29Å; Q719-S723 WeakPolarHBondContact O-CB 3.31Å; Q719-S723 PolarHBondContact O-N 3.36Å |
| 720 | R | 93.2 | Very high | 89.5 | Confident | 153 Ų | 153 | 59.5 Ų | 59.5 | 58% | 0.577 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.3 | -41.8 | 174.8 | -71.6 | 167.4 | -179.7 | -176.1 | 1.3 | 112.2 | A716 I717 M718 R724 | A716-R720 WeakPolarHBondContact O-CD 3.36Å; A716-R720 VanDerWaalsContact O-CG 3.24Å; A716-R720 WeakPolarHBondContact O-CG 3.47Å; A716-R720 PolarHBondContact O-N 2.88Å; I717-R720 PolarHBondContact O-N 3.48Å; I717-R720 VanDerWaalsContact O-N 3.17Å; M718-R720 PolarHBondContact O-N 2.99Å; R720-R724 VanDerWaalsContact O-CG 3.32Å; R720-R724 WeakPolarHBondContact O-CG 3.46Å; R720-R724 PolarHBondContact O-N 2.91Å |
| 721 | L | 94.2 | Very high | 90.1 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67 | -43.1 | 177.9 | -67.3 | 173.7 | 0 | 0 | 0 | 111.8 | Q247 C248 V257 I717 M718 R724 Y725 | Q247-L721 HydrophobicContact CB-CD2 4.06Å; Q247-L721 WeakPolarHBondContact O-CD2 3.35Å; C248-L721 HydrophobicContact CB-CD2 4.29Å; C248-L721 VanDerWaalsContact SG-CD2 3.58Å; V257-L721 HydrophobicContact CG2-CD1 3.47Å; V257-L721 VanDerWaalsContact CG2-CD1 3.47Å; I717-L721 HydrophobicContact CG2-CD1 3.83Å; I717-L721 HydrophobicContact CG2-CG 4.29Å; I717-L721 WeakPolarHBondContact O-CG 3.36Å; I717-L721 PolarHBondContact O-N 3.23Å; M718-L721 PolarHBondContact O-N 2.95Å; L721-R724 PolarHBondContact O-N 3.38Å; L721-Y725 WeakPolarHBondContact O-CB 3.39Å; L721-Y725 PolarHBondContact O-N 3.4Å |
| 722 | V | 94 | Very high | 90.6 | Very high | 17 Ų | 17 | 62.8 Ų | 62.8 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.8 | -47.1 | 173.7 | 165.2 | 0 | 0 | 0 | 0 | 111.1 | P205 L244 M718 R724 Y725 I726 | P205-V722 HydrophobicContact CG-CG2 3.86Å; L244-V722 HydrophobicContact CD2-CG2 4.22Å; M718-V722 WeakPolarHBondContact O-CB 3.37Å; M718-V722 WeakPolarHBondContact O-CG2 3.49Å; M718-V722 PolarHBondContact O-N 3.47Å; V722-R724 VanDerWaalsContact C-N 3.34Å; V722-R724 PolarHBondContact O-N 2.94Å; V722-Y725 WeakPolarHBondContact O-CB 3.27Å; V722-Y725 PolarHBondContact O-N 3.41Å; V722-Y725 VanDerWaalsContact O-N 3.12Å; V722-I726 HydrophobicContact CG1-CD1 3.7Å; V722-I726 HydrophobicContact CG1-CG1 4.27Å; V722-I726 WeakPolarHBondContact O-CG1 3.48Å; V722-I726 PolarHBondContact O-N 2.92Å |
| 723 | S | 94.3 | Very high | 90.6 | Very high | 78 Ų | 78 | 59.2 Ų | 59.2 | 55% | 0.545 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.8 | -43.6 | 177.5 | 174.3 | 0 | 0 | 0 | 0 | 112.3 | Q719 H727 | Q719-S723 VanDerWaalsContact O-CB 3.29Å; Q719-S723 WeakPolarHBondContact O-CB 3.31Å; Q719-S723 PolarHBondContact O-N 3.36Å; S723-H727 WeakPolarHBondContact O-CB 3.3Å; S723-H727 PolarHBondContact O-N 2.91Å; S723-H727 VanDerWaalsContact O-N 3.08Å |
| 724 | R | 95.7 | Very high | 90.6 | Very high | 52 Ų | 52 | 63 Ų | 63 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 172.7 | -71.6 | 175.1 | -165.6 | 158.8 | 11.1 | 112.3 | Q247 E253 R720 L721 V722 H727 Q728 | Q247-R724 HydrophobicContact CB-CB 4.15Å; Q247-R724 HydrophobicContact CG-CB 4.33Å; Q247-R724 PolarHBondContact O-NH1 3.35Å; E253-R724 VanDerWaalsContact CD-NH1 3.28Å; E253-R724 IonicContact OE1-CZ 3.56Å; E253-R724 IonicContact OE1-NH1 2.62Å; E253-R724 PolarHBondContact OE1-NH1 2.88Å; E253-R724 VanDerWaalsContact OE1-NH1 3.12Å; E253-R724 IonicContact OE1-NH2 2.67Å; E253-R724 PolarHBondContact OE1-NH2 2.85Å; E253-R724 IonicContact OE2-CZ 2.68Å; E253-R724 IonicContact OE2-NH1 3.54Å; E253-R724 PolarHBondContact OE2-NH1 3.4Å; E253-R724 IonicContact OE2-NH2 3.97Å; R720-R724 VanDerWaalsContact O-CG 3.32Å; R720-R724 WeakPolarHBondContact O-CG 3.46Å; R720-R724 PolarHBondContact O-N 2.91Å; L721-R724 PolarHBondContact O-N 3.38Å; V722-R724 VanDerWaalsContact C-N 3.34Å; V722-R724 PolarHBondContact O-N 2.94Å; R724-H727 PolarHBondContact O-N 2.9Å; R724-Q728 VanDerWaalsContact O-CB 3.27Å; R724-Q728 WeakPolarHBondContact O-CB 3.32Å; R724-Q728 PolarHBondContact O-N 3.39Å |
| 725 | Y | 95.6 | Very high | 90.7 | Very high | 15 Ų | 15 | 69.4 Ų | 69.4 | 6% | 0.059 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.4 | -49.3 | 177.7 | 174.9 | -95.1 | 0 | 0 | 0 | 111.5 | F144 P195 F240 D243 L244 L721 V722 H727 Q728 T729 | F144-Y725 HydrophobicContact CE1-CE1 4.47Å; F144-Y725 HydrophobicContact CZ-CE1 4.08Å; P195-Y725 HydrophobicContact CB-CE1 3.89Å; P195-Y725 WeakPolarHBondContact CB-OH 3.38Å; F240-Y725 AromaticContact CD2-CE1 3.94Å; F240-Y725 HydrophobicContact CD2-CE1 3.94Å; F240-Y725 HydrophobicContact CD2-CE2 4.15Å; F240-Y725 AromaticContact CD2-CZ 3.69Å; F240-Y725 AromaticContact CE2-CD1 4Å; F240-Y725 HydrophobicContact CE2-CD1 4Å; F240-Y725 AromaticContact CE2-CE1 3.65Å; F240-Y725 HydrophobicContact CE2-CE1 3.65Å; F240-Y725 HydrophobicContact CE2-CE2 4.45Å; F240-Y725 AromaticContact CE2-CZ 3.9Å; D243-Y725 HydrophobicContact CB-CD2 4.04Å; D243-Y725 HydrophobicContact CB-CE2 3.65Å; L244-Y725 HydrophobicContact CD2-CG 4.17Å; L721-Y725 WeakPolarHBondContact O-CB 3.39Å; L721-Y725 PolarHBondContact O-N 3.4Å; V722-Y725 WeakPolarHBondContact O-CB 3.27Å; V722-Y725 PolarHBondContact O-N 3.41Å; V722-Y725 VanDerWaalsContact O-N 3.12Å; Y725-H727 VanDerWaalsContact C-N 3.35Å; Y725-H727 PolarHBondContact O-N 3.45Å; Y725-Q728 PolarHBondContact O-N 2.92Å; Y725-Q728 VanDerWaalsContact O-N 3.15Å; Y725-T729 WeakPolarHBondContact O-CB 3.43Å; Y725-T729 PolarHBondContact O-N 3.17Å; Y725-T729 PolarHBondContact O-OG1 3.47Å; Y725-T729 VanDerWaalsContact O-OG1 3.05Å |
| 726 | I | 94.3 | Very high | 90.3 | Very high | 24 Ų | 24 | 74.3 Ų | 74.3 | 12% | 0.123 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 178.1 | -64.2 | 171.4 | 0 | 0 | 0 | 110.5 | F144 F200 V722 Q728 T729 K730 | F144-I726 HydrophobicContact CB-CG2 4.22Å; F144-I726 HydrophobicContact CD1-CB 4.47Å; F144-I726 HydrophobicContact CD1-CD1 4.01Å; F144-I726 HydrophobicContact CD1-CG1 3.7Å; F144-I726 HydrophobicContact CD1-CG2 4.1Å; F144-I726 HydrophobicContact CD2-CG2 4.26Å; F144-I726 HydrophobicContact CE1-CD1 4.37Å; F144-I726 HydrophobicContact CE1-CG1 3.69Å; F144-I726 HydrophobicContact CG-CG1 4.4Å; F144-I726 HydrophobicContact CG-CG2 3.93Å; F144-I726 HydrophobicContact CZ-CG1 4.39Å; F200-I726 HydrophobicContact CE1-CD1 4.2Å; F200-I726 HydrophobicContact CZ-CD1 4.17Å; V722-I726 HydrophobicContact CG1-CD1 3.7Å; V722-I726 HydrophobicContact CG1-CG1 4.27Å; V722-I726 WeakPolarHBondContact O-CG1 3.48Å; V722-I726 PolarHBondContact O-N 2.92Å; I726-Q728 PolarHBondContact O-N 3.17Å; I726-T729 PolarHBondContact O-N 3.42Å; I726-K730 HydrophobicContact CG2-CD 4.45Å; I726-K730 WeakPolarHBondContact O-CG 3.37Å; I726-K730 PolarHBondContact O-N 3.38Å |
| 727 | H | 93.3 | Very high | 89.5 | Confident | 132 Ų | 132 | 75.4 Ų | 75.4 | 61% | 0.611 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -62.4 | -40.9 | 176.3 | -174.2 | -36.7 | 0 | 0 | 0 | 112.2 | S723 R724 Y725 K731 | S723-H727 WeakPolarHBondContact O-CB 3.3Å; S723-H727 PolarHBondContact O-N 2.91Å; S723-H727 VanDerWaalsContact O-N 3.08Å; R724-H727 PolarHBondContact O-N 2.9Å; Y725-H727 VanDerWaalsContact C-N 3.35Å; Y725-H727 PolarHBondContact O-N 3.45Å; H727-K731 WeakPolarHBondContact O-CB 3.47Å; H727-K731 PolarHBondContact O-N 3.26Å |
| 728 | Q | 92.9 | Very high | 88.8 | Confident | 73 Ų | 73 | 81.7 Ų | 81.7 | 34% | 0.341 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -71.3 | -33.4 | -179.9 | -174.6 | 57.1 | 59.8 | 0 | 0 | 112.2 | R724 Y725 I726 K732 | R724-Q728 VanDerWaalsContact O-CB 3.27Å; R724-Q728 WeakPolarHBondContact O-CB 3.32Å; R724-Q728 PolarHBondContact O-N 3.39Å; Y725-Q728 PolarHBondContact O-N 2.92Å; Y725-Q728 VanDerWaalsContact O-N 3.15Å; I726-Q728 PolarHBondContact O-N 3.17Å; Q728-K732 WeakPolarHBondContact O-CG 3.05Å; Q728-K732 PolarHBondContact O-N 3.17Å; Q728-K732 VanDerWaalsContact O-N 3.09Å |
| 729 | T | 91.2 | Very high | 88.1 | Confident | 28 Ų | 28 | 85.8 Ų | 85.8 | 17% | 0.172 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -73.2 | -45 | 175.8 | -61 | 0 | 0 | 0 | 0 | 111.2 | F144 Y725 I726 K731 K732 A733 | F144-T729 HydrophobicContact CE2-CG2 3.86Å; F144-T729 HydrophobicContact CZ-CG2 4.23Å; Y725-T729 WeakPolarHBondContact O-CB 3.43Å; Y725-T729 PolarHBondContact O-N 3.17Å; Y725-T729 PolarHBondContact O-OG1 3.47Å; Y725-T729 VanDerWaalsContact O-OG1 3.05Å; I726-T729 PolarHBondContact O-N 3.42Å; T729-K731 VanDerWaalsContact C-N 3.3Å; T729-K731 PolarHBondContact O-N 2.99Å; T729-K732 WeakPolarHBondContact O-CB 3.43Å; T729-K732 PolarHBondContact O-N 2.72Å; T729-A733 PolarHBondContact O-N 3.37Å |
| 730 | K | 89.9 | Confident | 87.6 | Confident | 72 Ų | 72 | 86.4 Ų | 86.4 | 31% | 0.313 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.6 | -42.9 | 171 | -74 | -174 | -179.9 | -178.7 | 0 | 112.1 | E145 I726 K732 A733 Q734 | E145-K730 IonicContact OE1-NZ 2.64Å; E145-K730 PolarHBondContact OE1-NZ 2.78Å; I726-K730 HydrophobicContact CG2-CD 4.45Å; I726-K730 WeakPolarHBondContact O-CG 3.37Å; I726-K730 PolarHBondContact O-N 3.38Å; K730-K732 VanDerWaalsContact C-N 3.26Å; K730-K732 PolarHBondContact O-N 3.46Å; K730-A733 PolarHBondContact O-N 3.4Å; K730-Q734 WeakPolarHBondContact O-CG 3.43Å; K730-Q734 PolarHBondContact O-N 3.36Å |
| 731 | K | 89.9 | Confident | 86.7 | Confident | 111 Ų | 111 | 84.1 Ų | 84.1 | 48% | 0.483 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65 | -25.5 | 174.8 | -178.2 | 169.9 | -179.6 | 179.2 | 0 | 113.3 | H727 T729 M735 | H727-K731 WeakPolarHBondContact O-CB 3.47Å; H727-K731 PolarHBondContact O-N 3.26Å; T729-K731 VanDerWaalsContact C-N 3.3Å; T729-K731 PolarHBondContact O-N 2.99Å; K731-M735 WeakPolarHBondContact O-CG 3.28Å |
| 732 | K | 89 | Confident | 86.1 | Confident | 106 Ų | 106 | 87.8 Ų | 87.8 | 46% | 0.461 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -74.1 | -48 | 173.1 | -78.6 | 177.8 | 176.8 | -174.9 | 0 | 111.2 | Q728 T729 K730 Q734 M735 E736 | Q728-K732 WeakPolarHBondContact O-CG 3.05Å; Q728-K732 PolarHBondContact O-N 3.17Å; Q728-K732 VanDerWaalsContact O-N 3.09Å; T729-K732 WeakPolarHBondContact O-CB 3.43Å; T729-K732 PolarHBondContact O-N 2.72Å; K730-K732 VanDerWaalsContact C-N 3.26Å; K730-K732 PolarHBondContact O-N 3.46Å; K732-Q734 VanDerWaalsContact C-N 3.3Å; K732-Q734 PolarHBondContact O-N 2.81Å; K732-M735 CarbonylContact O-C 3.56Å; K732-M735 WeakPolarHBondContact O-CA 3.45Å; K732-M735 WeakPolarHBondContact O-CB 3.37Å; K732-M735 PolarHBondContact O-N 3.45Å; K732-E736 PolarHBondContact O-N 2.86Å; K732-E736 VanDerWaalsContact O-N 3.11Å |
| 733 | A | 84 | Confident | 85.6 | Confident | 58 Ų | 58 | 92.4 Ų | 92.4 | 48% | 0.479 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.2 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T729 K730 M735 E736 | T729-A733 PolarHBondContact O-N 3.37Å; K730-A733 PolarHBondContact O-N 3.4Å; A733-M735 PolarHBondContact O-N 2.83Å; A733-E736 PolarHBondContact O-N 3.15Å; A733-E736 VanDerWaalsContact O-N 3.08Å |
| 734 | Q | 82.1 | Confident | 85 | Confident | 161 Ų | 161 | 92.2 Ų | 92.2 | 75% | 0.752 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 1.2 | 173.6 | -69.5 | 177.5 | -34.1 | 0 | 0 | 115.5 | K730 K732 | K730-Q734 WeakPolarHBondContact O-CG 3.43Å; K730-Q734 PolarHBondContact O-N 3.36Å; K732-Q734 VanDerWaalsContact C-N 3.3Å; K732-Q734 PolarHBondContact O-N 2.81Å |
| 735 | M | 82.2 | Confident | 84.3 | Confident | 149 Ų | 149 | 93.1 Ų | 93.1 | 73% | 0.734 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | -0.2 | 176.4 | -63.3 | -83 | -52.4 | 0 | 0 | 111.7 | K731 K732 A733 | K731-M735 WeakPolarHBondContact O-CG 3.28Å; K732-M735 CarbonylContact O-C 3.56Å; K732-M735 WeakPolarHBondContact O-CA 3.45Å; K732-M735 WeakPolarHBondContact O-CB 3.37Å; K732-M735 PolarHBondContact O-N 3.45Å; A733-M735 PolarHBondContact O-N 2.83Å |
| 736 | E | 78.7 | Confident | 83.9 | Confident | 139 Ų | 139 | 96.7 Ų | 96.7 | 65% | 0.65 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -76.8 | 163.5 | 164.7 | -73.4 | 150.4 | -154.1 | 0 | 0 | 108.1 | K732 A733 | K732-E736 PolarHBondContact O-N 2.86Å; K732-E736 VanDerWaalsContact O-N 3.11Å; A733-E736 PolarHBondContact O-N 3.15Å; A733-E736 VanDerWaalsContact O-N 3.08Å |
| 737 | G | 71.7 | Confident | 83.5 | Confident | 58 Ų | 58 | 101 Ų | 101 | 60% | 0.598 | 51% | 0.511 | S | S | * | . | P | Polyproline II helix | trans | -73.2 | 153 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N739 | G737-N739 PolarHBondContact O-N 3.05Š|
| 738 | I | 76.2 | Confident | 83.1 | Confident | 142 Ų | 142 | 95.5 Ų | 95.5 | 73% | 0.728 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 121.9 | 170.3 | -63.8 | 172 | 0 | 0 | 0 | 108.6 | E742 | I738-E742 WeakPolarHBondContact CA-OE2 3.44Å; I738-E742 HydrophobicContact CG2-CB 4.17Å; I738-E742 WeakPolarHBondContact CG2-OE2 3.34Å |
| 739 | N | 76.5 | Confident | 82.8 | Confident | 93 Ų | 93 | 96.4 Ų | 96.4 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -81 | 163.8 | 179 | -67.8 | -48.9 | 0 | 0 | 0 | 111.7 | G737 D741 E742 L743 | G737-N739 PolarHBondContact O-N 3.05Å; N739-D741 PolarHBondContact O-N 3.14Å; N739-E742 HydrophobicContact CB-CG 4.39Å; N739-E742 PolarHBondContact O-N 3.37Å; N739-L743 PolarHBondContact O-N 3.31Å |
| 740 | E | 80.2 | Confident | 82.7 | Confident | 151 Ų | 151 | 100.1 Ų | 100.1 | 71% | 0.706 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.3 | -32.1 | 172.7 | -171.9 | 168.3 | 175.7 | 0 | 0 | 111.1 | L743 L744 | E740-L743 WeakPolarHBondContact O-CB 3.37Å; E740-L743 PolarHBondContact O-N 3Å; E740-L743 VanDerWaalsContact O-N 3.14Å; E740-L744 WeakPolarHBondContact O-CG 3.28Å; E740-L744 PolarHBondContact O-N 3.48Å |
| 741 | D | 75.7 | Confident | 82.5 | Confident | 105 Ų | 105 | 98.1 Ų | 98.1 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66 | -41.7 | 179.7 | -46 | -62.6 | 0 | 0 | 0 | 112.2 | N739 L743 L744 E745 | N739-D741 PolarHBondContact O-N 3.14Å; D741-L743 PolarHBondContact O-N 2.75Å; D741-L744 CarbonylContact O-C 3.56Å; D741-L744 WeakPolarHBondContact O-CA 3.26Å; D741-L744 WeakPolarHBondContact O-CB 3.47Å; D741-L744 PolarHBondContact O-N 2.62Å; D741-E745 PolarHBondContact O-N 3.24Å |
| 742 | E | 81.4 | Confident | 82.3 | Confident | 79 Ų | 79 | 93.4 Ų | 93.4 | 37% | 0.369 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.6 | -30.7 | 172.6 | -63.8 | 177.3 | -171.9 | 0 | 0 | 111.9 | I738 N739 I746 | I738-E742 WeakPolarHBondContact CA-OE2 3.44Å; I738-E742 HydrophobicContact CG2-CB 4.17Å; I738-E742 WeakPolarHBondContact CG2-OE2 3.34Å; N739-E742 HydrophobicContact CB-CG 4.39Å; N739-E742 PolarHBondContact O-N 3.37Å; E742-I746 WeakPolarHBondContact O-CD1 3.29Å; E742-I746 VanDerWaalsContact O-CG1 3.29Å; E742-I746 WeakPolarHBondContact O-CG1 3.44Å; E742-I746 PolarHBondContact O-N 3.45Å |
| 743 | L | 82.9 | Confident | 82.4 | Confident | 114 Ų | 114 | 92.7 Ų | 92.7 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -74.6 | -30.5 | 174.2 | -167.1 | 72.1 | 0 | 0 | 0 | 111.8 | N739 E740 D741 K747 | N739-L743 PolarHBondContact O-N 3.31Å; E740-L743 WeakPolarHBondContact O-CB 3.37Å; E740-L743 PolarHBondContact O-N 3Å; E740-L743 VanDerWaalsContact O-N 3.14Å; D741-L743 PolarHBondContact O-N 2.75Å; L743-K747 WeakPolarHBondContact O-CB 3.31Å; L743-K747 PolarHBondContact O-N 3.02Å; L743-K747 VanDerWaalsContact O-N 3.16Å |
| 744 | L | 81.9 | Confident | 82.7 | Confident | 74 Ų | 74 | 96.5 Ų | 96.5 | 39% | 0.387 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73.7 | -40.7 | 174.5 | -67.1 | 172.3 | 0 | 0 | 0 | 111.6 | E740 D741 K747 Q748 | E740-L744 WeakPolarHBondContact O-CG 3.28Å; E740-L744 PolarHBondContact O-N 3.48Å; D741-L744 CarbonylContact O-C 3.56Å; D741-L744 WeakPolarHBondContact O-CA 3.26Å; D741-L744 WeakPolarHBondContact O-CB 3.47Å; D741-L744 PolarHBondContact O-N 2.62Å; L744-K747 HydrophobicContact CD2-CD 4.11Å; L744-K747 PolarHBondContact O-N 3.36Å; L744-Q748 VanDerWaalsContact O-CB 3.32Å; L744-Q748 WeakPolarHBondContact O-CB 3.34Å; L744-Q748 PolarHBondContact O-N 3.06Å |
| 745 | E | 81.5 | Confident | 82.9 | Confident | 72 Ų | 72 | 91.8 Ų | 91.8 | 34% | 0.336 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -51.2 | -60.4 | 169 | -178.4 | -149.4 | 150.1 | 0 | 0 | 110.6 | E64 D741 K747 Q748 D749 | E64-E745 HydrophobicContact CG-CG 4.34Å; D741-E745 PolarHBondContact O-N 3.24Å; E745-K747 VanDerWaalsContact C-N 3.3Å; E745-K747 PolarHBondContact O-N 2.89Å; E745-Q748 CarbonylContact O-C 3.55Å; E745-Q748 WeakPolarHBondContact O-CA 3.4Å; E745-Q748 WeakPolarHBondContact O-CB 3.34Å; E745-Q748 PolarHBondContact O-N 2.84Å; E745-D749 PolarHBondContact O-N 3Å |
| 746 | I | 85.7 | Confident | 83.2 | Confident | 90 Ų | 90 | 88 Ų | 88 | 46% | 0.462 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.5 | -40.7 | -178.7 | -67.7 | 165.9 | 0 | 0 | 0 | 111.9 | E742 Q748 D749 I750 | E742-I746 WeakPolarHBondContact O-CD1 3.29Å; E742-I746 VanDerWaalsContact O-CG1 3.29Å; E742-I746 WeakPolarHBondContact O-CG1 3.44Å; E742-I746 PolarHBondContact O-N 3.45Å; I746-Q748 VanDerWaalsContact C-N 3.28Å; I746-Q748 PolarHBondContact O-N 3.36Å; I746-D749 PolarHBondContact O-N 3.39Å; I746-I750 HydrophobicContact CG2-CD1 3.96Å; I746-I750 WeakPolarHBondContact O-CB 3.16Å; I746-I750 WeakPolarHBondContact O-CD1 3.33Å; I746-I750 VanDerWaalsContact O-CG1 3.23Å; I746-I750 WeakPolarHBondContact O-CG1 3.04Å; I746-I750 PolarHBondContact O-N 3.17Å |
| 747 | K | 86.9 | Confident | 83.7 | Confident | 115 Ų | 115 | 86 Ų | 86 | 50% | 0.5 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -64 | -33.9 | 176 | 168.1 | -168.1 | 164 | -156.3 | 0 | 112.1 | L743 L744 E745 S751 | L743-K747 WeakPolarHBondContact O-CB 3.31Å; L743-K747 PolarHBondContact O-N 3.02Å; L743-K747 VanDerWaalsContact O-N 3.16Å; L744-K747 HydrophobicContact CD2-CD 4.11Å; L744-K747 PolarHBondContact O-N 3.36Å; E745-K747 VanDerWaalsContact C-N 3.3Å; E745-K747 PolarHBondContact O-N 2.89Å; K747-S751 PolarHBondContact O-N 3.38Å; K747-S751 PolarHBondContact O-OG 3.45Å |
| 748 | Q | 84.3 | Confident | 84.6 | Confident | 15 Ų | 15 | 88.8 Ų | 88.8 | 7% | 0.07 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -77.6 | -39.9 | 178.8 | -175.9 | 72.8 | -19.7 | 0 | 0 | 111.8 | Y27 N63 N65 L744 E745 I746 I750 S751 S752 | Y27-Q748 PolarHBondContact O-NE2 3.38Å; Y27-Q748 PolarHBondContact O-OE1 3.4Å; N63-Q748 HydrophobicContact CB-CG 4.03Å; N65-Q748 WeakPolarHBondContact ND2-CG 3.33Å; L744-Q748 VanDerWaalsContact O-CB 3.32Å; L744-Q748 WeakPolarHBondContact O-CB 3.34Å; L744-Q748 PolarHBondContact O-N 3.06Å; E745-Q748 CarbonylContact O-C 3.55Å; E745-Q748 WeakPolarHBondContact O-CA 3.4Å; E745-Q748 WeakPolarHBondContact O-CB 3.34Å; E745-Q748 PolarHBondContact O-N 2.84Å; I746-Q748 VanDerWaalsContact C-N 3.28Å; I746-Q748 PolarHBondContact O-N 3.36Å; Q748-I750 VanDerWaalsContact C-N 3.32Å; Q748-I750 PolarHBondContact O-N 3.33Å; Q748-S751 CarbonylContact O-C 3.58Å; Q748-S751 VanDerWaalsContact O-CA 3.29Å; Q748-S751 WeakPolarHBondContact O-CA 3.42Å; Q748-S751 VanDerWaalsContact O-CB 3.25Å; Q748-S751 WeakPolarHBondContact O-CB 3.48Å; Q748-S751 PolarHBondContact O-N 3.03Å; Q748-S752 PolarHBondContact O-N 3.41Å; Q748-S752 PolarHBondContact O-OG 2.67Å |
| 749 | D | 86.1 | Confident | 85.1 | Confident | 92 Ų | 92 | 83.6 Ų | 83.6 | 49% | 0.492 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 173.1 | -113.3 | 22.6 | 0 | 0 | 0 | 112 | E745 I746 S751 S752 L753 | E745-D749 PolarHBondContact O-N 3Å; I746-D749 PolarHBondContact O-N 3.39Å; D749-S751 PolarHBondContact O-N 3.11Å; D749-S752 WeakPolarHBondContact CA-OG 3.4Å; D749-S752 PolarHBondContact O-OG 3.42Å; D749-S752 VanDerWaalsContact O-OG 3.08Å; D749-L753 WeakPolarHBondContact O-CB 3.4Å; D749-L753 PolarHBondContact O-N 3.5Å; D749-L753 VanDerWaalsContact O-N 3.12Å |
| 750 | I | 89.2 | Confident | 85.7 | Confident | 106 Ų | 106 | 85.3 Ų | 85.3 | 54% | 0.544 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.2 | -26.5 | 169.9 | -69.5 | 165.8 | 0 | 0 | 0 | 111.6 | I746 Q748 R754 | I746-I750 HydrophobicContact CG2-CD1 3.96Å; I746-I750 WeakPolarHBondContact O-CB 3.16Å; I746-I750 WeakPolarHBondContact O-CD1 3.33Å; I746-I750 VanDerWaalsContact O-CG1 3.23Å; I746-I750 WeakPolarHBondContact O-CG1 3.04Å; I746-I750 PolarHBondContact O-N 3.17Å; Q748-I750 VanDerWaalsContact C-N 3.32Å; Q748-I750 PolarHBondContact O-N 3.33Å; I750-R754 WeakPolarHBondContact O-CB 3.23Å; I750-R754 PolarHBondContact O-N 3.26Å |
| 751 | S | 86.3 | Confident | 86.2 | Confident | 30 Ų | 30 | 86.9 Ų | 86.9 | 21% | 0.21 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -82.4 | -47.9 | 179.6 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | K747 Q748 D749 R754 Y755 | K747-S751 PolarHBondContact O-N 3.38Å; K747-S751 PolarHBondContact O-OG 3.45Å; Q748-S751 CarbonylContact O-C 3.58Å; Q748-S751 VanDerWaalsContact O-CA 3.29Å; Q748-S751 WeakPolarHBondContact O-CA 3.42Å; Q748-S751 VanDerWaalsContact O-CB 3.25Å; Q748-S751 WeakPolarHBondContact O-CB 3.48Å; Q748-S751 PolarHBondContact O-N 3.03Å; D749-S751 PolarHBondContact O-N 3.11Å; S751-R754 WeakPolarHBondContact O-CB 3.31Å; S751-R754 PolarHBondContact O-N 2.84Å; S751-Y755 WeakPolarHBondContact O-CD2 3.15Å; S751-Y755 PolarHBondContact O-N 3.19Å; S751-Y755 VanDerWaalsContact O-N 3.12Å |
| 752 | S | 86.8 | Confident | 86.8 | Confident | 13 Ų | 13 | 90 Ų | 90 | 9% | 0.091 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.8 | -50.9 | 176.2 | 56.7 | 0 | 0 | 0 | 0 | 111.5 | Q748 D749 R754 Y755 E756 | Q748-S752 PolarHBondContact O-N 3.41Å; Q748-S752 PolarHBondContact O-OG 2.67Å; D749-S752 WeakPolarHBondContact CA-OG 3.4Å; D749-S752 PolarHBondContact O-OG 3.42Å; D749-S752 VanDerWaalsContact O-OG 3.08Å; S752-R754 PolarHBondContact O-N 3.29Å; S752-R754 VanDerWaalsContact O-N 3.15Å; S752-Y755 WeakPolarHBondContact O-CA 3.29Å; S752-Y755 WeakPolarHBondContact O-CB 3.24Å; S752-Y755 PolarHBondContact O-N 2.81Å; S752-E756 PolarHBondContact O-N 3.46Å |
| 753 | L | 89.1 | Confident | 87.1 | Confident | 91 Ų | 91 | 91 Ų | 91 | 48% | 0.476 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -54.7 | -36.4 | 174.9 | 179.6 | 63.9 | 0 | 0 | 0 | 112.3 | D749 Y755 E756 L757 | D749-L753 WeakPolarHBondContact O-CB 3.4Å; D749-L753 PolarHBondContact O-N 3.5Å; D749-L753 VanDerWaalsContact O-N 3.12Å; L753-Y755 VanDerWaalsContact C-N 3.33Å; L753-E756 PolarHBondContact O-N 2.92Å; L753-L757 HydrophobicContact CD1-CD1 4.01Å; L753-L757 HydrophobicContact CD1-CG 4.1Å; L753-L757 HydrophobicContact CG-CD1 3.94Å; L753-L757 HydrophobicContact CG-CG 4.43Å; L753-L757 WeakPolarHBondContact O-CB 3.48Å; L753-L757 VanDerWaalsContact O-CG 3.29Å; L753-L757 WeakPolarHBondContact O-CG 3.32Å; L753-L757 PolarHBondContact O-N 2.7Å |
| 754 | R | 90.3 | Very high | 87.4 | Confident | 137 Ų | 137 | 89.7 Ų | 89.7 | 52% | 0.517 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -74.6 | -18.7 | 177.3 | 179 | -171.3 | 179.1 | -130.1 | 7.5 | 113.2 | I750 S751 S752 R758 | I750-R754 WeakPolarHBondContact O-CB 3.23Å; I750-R754 PolarHBondContact O-N 3.26Å; S751-R754 WeakPolarHBondContact O-CB 3.31Å; S751-R754 PolarHBondContact O-N 2.84Å; S752-R754 PolarHBondContact O-N 3.29Å; S752-R754 VanDerWaalsContact O-N 3.15Å; R754-R758 VanDerWaalsContact O-CD 3.25Å; R754-R758 WeakPolarHBondContact O-CD 3.43Å; R754-R758 VanDerWaalsContact O-CG 3.28Å; R754-R758 WeakPolarHBondContact O-CG 3.36Å; R754-R758 PolarHBondContact O-NH1 2.63Å |
| 755 | Y | 88 | Confident | 87.7 | Confident | 62 Ų | 62 | 91.4 Ų | 91.4 | 24% | 0.243 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -83.2 | -44.9 | 166.7 | -78.3 | -76.9 | 0 | 0 | 0 | 111.4 | K28 D30 S751 S752 L753 R758 E759 | K28-Y755 HydrophobicContact CB-CE2 3.99Å; K28-Y755 WeakPolarHBondContact O-CE2 3.47Å; D30-Y755 HydrophobicContact CB-CD1 3.79Å; D30-Y755 HydrophobicContact CB-CD2 4.08Å; D30-Y755 HydrophobicContact CB-CE1 4.01Å; D30-Y755 HydrophobicContact CB-CE2 4.34Å; D30-Y755 HydrophobicContact CB-CG 3.84Å; D30-Y755 VanDerWaalsContact CG-CD1 3.42Å; D30-Y755 WeakPolarHBondContact OD2-CD1 2.94Å; D30-Y755 WeakPolarHBondContact OD2-CE1 3.34Å; S751-Y755 WeakPolarHBondContact O-CD2 3.15Å; S751-Y755 PolarHBondContact O-N 3.19Å; S751-Y755 VanDerWaalsContact O-N 3.12Å; S752-Y755 WeakPolarHBondContact O-CA 3.29Å; S752-Y755 WeakPolarHBondContact O-CB 3.24Å; S752-Y755 PolarHBondContact O-N 2.81Å; L753-Y755 VanDerWaalsContact C-N 3.33Å; Y755-R758 WeakPolarHBondContact O-CB 3.41Å; Y755-R758 PolarHBondContact O-N 3.04Å; Y755-E759 PolarHBondContact O-N 2.98Å |
| 756 | E | 87.7 | Confident | 87.9 | Confident | 70 Ų | 70 | 90.7 Ų | 90.7 | 33% | 0.327 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -57.6 | -53.7 | 177.8 | -68.4 | -177.9 | 170 | 0 | 0 | 112.5 | S752 L753 R758 E759 E760 | S752-E756 PolarHBondContact O-N 3.46Å; L753-E756 PolarHBondContact O-N 2.92Å; E756-R758 PolarHBondContact O-N 3.44Å; E756-R758 VanDerWaalsContact O-N 3.08Å; E756-E759 PolarHBondContact O-N 3.17Å; E756-E760 PolarHBondContact O-N 3.35Å |
| 757 | L | 90.1 | Very high | 88 | Confident | 96 Ų | 96 | 93.3 Ų | 93.3 | 50% | 0.503 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.8 | -22.7 | 179.5 | -69.8 | 171.8 | 0 | 0 | 0 | 113.6 | L753 R761 | L753-L757 HydrophobicContact CD1-CD1 4.01Å; L753-L757 HydrophobicContact CD1-CG 4.1Å; L753-L757 HydrophobicContact CG-CD1 3.94Å; L753-L757 HydrophobicContact CG-CG 4.43Å; L753-L757 WeakPolarHBondContact O-CB 3.48Å; L753-L757 VanDerWaalsContact O-CG 3.29Å; L753-L757 WeakPolarHBondContact O-CG 3.32Å; L753-L757 PolarHBondContact O-N 2.7Å; L757-R761 WeakPolarHBondContact O-CB 3.3Å; L757-R761 PolarHBondContact O-N 2.91Å |
| 758 | R | 89.7 | Confident | 88 | Confident | 118 Ų | 118 | 90.4 Ų | 90.4 | 45% | 0.445 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -79.3 | -41.3 | 172.2 | -75.1 | 174.6 | 175.9 | 142.3 | -12.6 | 111.8 | R754 Y755 E756 R761 R762 | R754-R758 VanDerWaalsContact O-CD 3.25Å; R754-R758 WeakPolarHBondContact O-CD 3.43Å; R754-R758 VanDerWaalsContact O-CG 3.28Å; R754-R758 WeakPolarHBondContact O-CG 3.36Å; R754-R758 PolarHBondContact O-NH1 2.63Å; Y755-R758 WeakPolarHBondContact O-CB 3.41Å; Y755-R758 PolarHBondContact O-N 3.04Å; E756-R758 PolarHBondContact O-N 3.44Å; E756-R758 VanDerWaalsContact O-N 3.08Å; R758-R761 PolarHBondContact O-N 3.35Å; R758-R762 WeakPolarHBondContact O-CB 3.38Å; R758-R762 PolarHBondContact O-N 3.3Å |
| 759 | E | 86.6 | Confident | 88.1 | Confident | 33 Ų | 33 | 92.8 Ų | 92.8 | 15% | 0.154 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -73.3 | -36.6 | -179.7 | -174.8 | 54.5 | -149.4 | 0 | 0 | 111.6 | A32 Y755 E756 R762 K763 | A32-E759 HydrophobicContact CB-CB 4.38Å; A32-E759 HydrophobicContact CB-CG 3.93Å; Y755-E759 PolarHBondContact O-N 2.98Å; E756-E759 PolarHBondContact O-N 3.17Å; E759-R762 PolarHBondContact O-N 3.15Å; E759-R762 WeakPolarHBondContact OE2-CD 3.12Å; E759-R762 IonicContact OE2-CZ 2.73Å; E759-R762 IonicContact OE2-NE 3.67Å; E759-R762 IonicContact OE2-NH1 3.83Å; E759-R762 PolarHBondContact OE2-NH1 2.92Å; E759-K763 HydrophobicContact CG-CD 4.05Å; E759-K763 WeakPolarHBondContact O-CB 3.31Å; E759-K763 VanDerWaalsContact O-CG 3.29Å; E759-K763 WeakPolarHBondContact O-CG 3.3Å; E759-K763 PolarHBondContact O-N 3.02Å; E759-K763 WeakPolarHBondContact OE1-CE 3.37Å; E759-K763 IonicContact OE1-NZ 2.76Å |
| 760 | E | 89.3 | Confident | 88 | Confident | 129 Ų | 129 | 91.4 Ų | 91.4 | 60% | 0.603 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -58.7 | -47.6 | 167.2 | -71 | -155.6 | 127.9 | 0 | 0 | 111.4 | E756 R762 K763 E764 | E756-E760 PolarHBondContact O-N 3.35Å; E760-R762 VanDerWaalsContact C-N 3.31Å; E760-R762 PolarHBondContact O-N 3.48Å; E760-K763 PolarHBondContact O-N 3.32Å; E760-E764 WeakPolarHBondContact O-CB 3.43Å; E760-E764 PolarHBondContact O-N 2.86Å |
| 761 | R | 90.5 | Very high | 87.8 | Confident | 183 Ų | 183 | 91.2 Ų | 91.2 | 69% | 0.691 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60 | -39.6 | 175.3 | -174.8 | -178.3 | -64.7 | -162.1 | -1.6 | 112 | L757 R758 L765 | L757-R761 WeakPolarHBondContact O-CB 3.3Å; L757-R761 PolarHBondContact O-N 2.91Å; R758-R761 PolarHBondContact O-N 3.35Å; R761-L765 HydrophobicContact CG-CD1 4.06Å; R761-L765 WeakPolarHBondContact O-CB 3.27Å; R761-L765 VanDerWaalsContact O-CG 3.23Å; R761-L765 WeakPolarHBondContact O-CG 3.15Å; R761-L765 PolarHBondContact O-N 2.89Å |
| 762 | R | 88.4 | Confident | 87.8 | Confident | 171 Ų | 171 | 96.9 Ų | 96.9 | 65% | 0.645 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.1 | -46.5 | 175.4 | -177 | -173.9 | -77.2 | 151.5 | -14.4 | 111.2 | R758 E759 E760 L765 A766 | R758-R762 WeakPolarHBondContact O-CB 3.38Å; R758-R762 PolarHBondContact O-N 3.3Å; E759-R762 PolarHBondContact O-N 3.15Å; E759-R762 WeakPolarHBondContact OE2-CD 3.12Å; E759-R762 IonicContact OE2-CZ 2.73Å; E759-R762 IonicContact OE2-NE 3.67Å; E759-R762 IonicContact OE2-NH1 3.83Å; E759-R762 PolarHBondContact OE2-NH1 2.92Å; E760-R762 VanDerWaalsContact C-N 3.31Å; E760-R762 PolarHBondContact O-N 3.48Å; R762-L765 PolarHBondContact O-N 3.39Å; R762-A766 WeakPolarHBondContact O-CB 3.46Å; R762-A766 PolarHBondContact O-N 2.96Å |
| 763 | K | 88.2 | Confident | 87.6 | Confident | 99 Ų | 99 | 99.4 Ų | 99.4 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 177.2 | -75 | 163.7 | 175.3 | 161.8 | 0 | 111.8 | E759 E760 A766 R767 | E759-K763 HydrophobicContact CG-CD 4.05Å; E759-K763 WeakPolarHBondContact O-CB 3.31Å; E759-K763 VanDerWaalsContact O-CG 3.29Å; E759-K763 WeakPolarHBondContact O-CG 3.3Å; E759-K763 PolarHBondContact O-N 3.02Å; E759-K763 WeakPolarHBondContact OE1-CE 3.37Å; E759-K763 IonicContact OE1-NZ 2.76Å; E760-K763 PolarHBondContact O-N 3.32Å; K763-A766 PolarHBondContact O-N 3.44Å; K763-R767 WeakPolarHBondContact O-CG 3.24Å; K763-R767 PolarHBondContact O-N 2.95Å |
| 764 | E | 88.3 | Confident | 87.5 | Confident | 88 Ų | 88 | 96.4 Ų | 96.4 | 41% | 0.411 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -72.9 | -39.5 | 178.1 | -162.5 | 55.4 | -141.8 | 0 | 0 | 112.5 | E760 A766 R767 T768 | E760-E764 WeakPolarHBondContact O-CB 3.43Å; E760-E764 PolarHBondContact O-N 2.86Å; E764-A766 VanDerWaalsContact C-N 3.29Å; E764-A766 PolarHBondContact O-N 3.43Å; E764-R767 PolarHBondContact O-N 2.87Å; E764-R767 WeakPolarHBondContact OE2-CD 3.47Å; E764-R767 IonicContact OE2-CZ 3.36Å; E764-R767 IonicContact OE2-NE 3.56Å; E764-R767 IonicContact OE2-NH1 2.78Å; E764-R767 PolarHBondContact OE2-NH1 2.79Å; E764-T768 WeakPolarHBondContact O-CG2 3.41Å; E764-T768 PolarHBondContact O-N 3.32Å; E764-T768 PolarHBondContact O-OG1 2.87Å |
| 765 | L | 89 | Confident | 87.2 | Confident | 109 Ų | 109 | 94.6 Ų | 94.6 | 57% | 0.571 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -58.7 | -41 | 169.5 | -74.5 | 168 | 0 | 0 | 0 | 111.6 | R761 R762 T768 S769 | R761-L765 HydrophobicContact CG-CD1 4.06Å; R761-L765 WeakPolarHBondContact O-CB 3.27Å; R761-L765 VanDerWaalsContact O-CG 3.23Å; R761-L765 WeakPolarHBondContact O-CG 3.15Å; R761-L765 PolarHBondContact O-N 2.89Å; R762-L765 PolarHBondContact O-N 3.39Å; L765-T768 WeakPolarHBondContact CA-OG1 3.44Å; L765-T768 PolarHBondContact O-N 3.46Å; L765-T768 PolarHBondContact O-OG1 3.09Å; L765-S769 WeakPolarHBondContact O-CB 3.43Å; L765-S769 PolarHBondContact O-N 3.32Å |
| 766 | A | 86.2 | Confident | 87 | Confident | 58 Ų | 58 | 97.4 Ų | 97.4 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R762 K763 E764 S770 | R762-A766 WeakPolarHBondContact O-CB 3.46Å; R762-A766 PolarHBondContact O-N 2.96Å; K763-A766 PolarHBondContact O-N 3.44Å; E764-A766 VanDerWaalsContact C-N 3.29Å; E764-A766 PolarHBondContact O-N 3.43Å; A766-S770 WeakPolarHBondContact O-CB 3.28Å; A766-S770 PolarHBondContact O-N 3Å; A766-S770 PolarHBondContact O-OG 3.35Å |
| 767 | R | 86.5 | Confident | 86.8 | Confident | 144 Ų | 144 | 101 Ų | 101 | 54% | 0.543 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.1 | -50.5 | 172.4 | -73.7 | 164.7 | 177.3 | 166.2 | 0.3 | 111.9 | K763 E764 S769 S770 N771 | K763-R767 WeakPolarHBondContact O-CG 3.24Å; K763-R767 PolarHBondContact O-N 2.95Å; E764-R767 PolarHBondContact O-N 2.87Å; E764-R767 WeakPolarHBondContact OE2-CD 3.47Å; E764-R767 IonicContact OE2-CZ 3.36Å; E764-R767 IonicContact OE2-NE 3.56Å; E764-R767 IonicContact OE2-NH1 2.78Å; E764-R767 PolarHBondContact OE2-NH1 2.79Å; R767-S769 PolarHBondContact O-N 3.44Å; R767-S770 WeakPolarHBondContact CA-OG 3.45Å; R767-S770 PolarHBondContact O-N 2.98Å; R767-S770 PolarHBondContact O-OG 2.93Å; R767-S770 VanDerWaalsContact O-OG 3.05Å; R767-N771 WeakPolarHBondContact O-CB 3.4Å; R767-N771 VanDerWaalsContact O-CG 3.23Å; R767-N771 PolarHBondContact O-N 3.03Å; R767-N771 PolarHBondContact O-ND2 3.32Å |
| 768 | T | 87.8 | Confident | 86.5 | Confident | 55 Ų | 55 | 101 Ų | 101 | 34% | 0.337 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 177.6 | 57.2 | 0 | 0 | 0 | 0 | 111.7 | E764 L765 N771 F772 | E764-T768 WeakPolarHBondContact O-CG2 3.41Å; E764-T768 PolarHBondContact O-N 3.32Å; E764-T768 PolarHBondContact O-OG1 2.87Å; L765-T768 WeakPolarHBondContact CA-OG1 3.44Å; L765-T768 PolarHBondContact O-N 3.46Å; L765-T768 PolarHBondContact O-OG1 3.09Å; T768-N771 PolarHBondContact O-N 3.4Å; T768-F772 VanDerWaalsContact O-CD2 3.23Å; T768-F772 WeakPolarHBondContact O-CD2 3.5Å; T768-F772 PolarHBondContact O-N 2.94Å |
| 769 | S | 86.5 | Confident | 86.1 | Confident | 65 Ų | 65 | 99.7 Ų | 99.7 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.3 | -46.8 | 176.4 | -166.8 | 0 | 0 | 0 | 0 | 112.1 | L765 R767 N771 F772 D773 | L765-S769 WeakPolarHBondContact O-CB 3.43Å; L765-S769 PolarHBondContact O-N 3.32Å; R767-S769 PolarHBondContact O-N 3.44Å; S769-N771 VanDerWaalsContact C-N 3.34Å; S769-N771 PolarHBondContact O-N 2.85Å; S769-F772 PolarHBondContact O-N 2.92Å; S769-D773 PolarHBondContact O-N 2.9Å |
| 770 | S | 83.5 | Confident | 85.8 | Confident | 63 Ų | 63 | 103.1 Ų | 103.1 | 44% | 0.441 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.4 | -31.7 | 179.1 | 53.7 | 0 | 0 | 0 | 0 | 113.1 | A766 R767 G774 | A766-S770 WeakPolarHBondContact O-CB 3.28Å; A766-S770 PolarHBondContact O-N 3Å; A766-S770 PolarHBondContact O-OG 3.35Å; R767-S770 WeakPolarHBondContact CA-OG 3.45Å; R767-S770 PolarHBondContact O-N 2.98Å; R767-S770 PolarHBondContact O-OG 2.93Å; R767-S770 VanDerWaalsContact O-OG 3.05Å; S770-G774 PolarHBondContact O-N 3.06Å |
| 771 | N | 85.9 | Confident | 85.4 | Confident | 102 Ų | 102 | 104.4 Ų | 104.4 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.9 | -47.2 | 169.4 | -74.3 | -20.3 | 0 | 0 | 0 | 111.6 | R767 T768 S769 G774 I775 | R767-N771 WeakPolarHBondContact O-CB 3.4Å; R767-N771 VanDerWaalsContact O-CG 3.23Å; R767-N771 PolarHBondContact O-N 3.03Å; R767-N771 PolarHBondContact O-ND2 3.32Å; T768-N771 PolarHBondContact O-N 3.4Å; S769-N771 VanDerWaalsContact C-N 3.34Å; S769-N771 PolarHBondContact O-N 2.85Å; N771-G774 WeakPolarHBondContact O-CA 3.45Å; N771-G774 PolarHBondContact O-N 3.18Å; N771-G774 VanDerWaalsContact O-N 3.13Å; N771-I775 WeakPolarHBondContact O-CG1 3.45Å; N771-I775 PolarHBondContact O-N 2.89Å |
| 772 | F | 85.3 | Confident | 84.9 | Confident | 149 Ų | 149 | 99.9 Ų | 99.9 | 65% | 0.654 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.8 | -44.3 | 175.3 | -87.4 | -66.7 | 0 | 0 | 0 | 112.1 | T768 S769 G774 I775 K776 | T768-F772 VanDerWaalsContact O-CD2 3.23Å; T768-F772 WeakPolarHBondContact O-CD2 3.5Å; T768-F772 PolarHBondContact O-N 2.94Å; S769-F772 PolarHBondContact O-N 2.92Å; F772-G774 VanDerWaalsContact C-N 3.29Å; F772-G774 PolarHBondContact O-N 2.99Å; F772-I775 PolarHBondContact O-N 3.4Å; F772-K776 WeakPolarHBondContact O-CB 3.22Å; F772-K776 PolarHBondContact O-N 3.2Å |
| 773 | D | 83.4 | Confident | 84.2 | Confident | 65 Ų | 65 | 96.6 Ų | 96.6 | 35% | 0.348 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.6 | -28 | 174.1 | -85.4 | -38.6 | 0 | 0 | 0 | 112.6 | S769 K776 R777 | S769-D773 PolarHBondContact O-N 2.9Å; D773-K776 IonicContact OD1-NZ 2.86Å; D773-R777 WeakPolarHBondContact O-CB 3.44Å; D773-R777 VanDerWaalsContact O-CG 3.31Å; D773-R777 WeakPolarHBondContact O-CG 3.47Å; D773-R777 PolarHBondContact O-N 2.98Å; D773-R777 VanDerWaalsContact O-N 3.09Å; D773-R777 PolarHBondContact O-NE 2.81Å |
| 774 | G | 85.5 | Confident | 83.4 | Confident | 29 Ų | 29 | 94.9 Ų | 94.9 | 30% | 0.299 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.6 | -55.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S770 N771 F772 K776 R777 E778 | S770-G774 PolarHBondContact O-N 3.06Å; N771-G774 WeakPolarHBondContact O-CA 3.45Å; N771-G774 PolarHBondContact O-N 3.18Å; N771-G774 VanDerWaalsContact O-N 3.13Å; F772-G774 VanDerWaalsContact C-N 3.29Å; F772-G774 PolarHBondContact O-N 2.99Å; G774-K776 VanDerWaalsContact C-N 3.34Å; G774-K776 PolarHBondContact O-N 3.24Å; G774-R777 PolarHBondContact O-N 3.45Å; G774-E778 PolarHBondContact O-N 3.39Å |
| 775 | I | 85.2 | Confident | 82.4 | Confident | 98 Ų | 98 | 93.9 Ų | 93.9 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.5 | -46.4 | 177.6 | -67.2 | 163 | 0 | 0 | 0 | 110.8 | N771 F772 R777 E778 I779 | N771-I775 WeakPolarHBondContact O-CG1 3.45Å; N771-I775 PolarHBondContact O-N 2.89Å; F772-I775 PolarHBondContact O-N 3.4Å; I775-R777 PolarHBondContact O-N 2.76Å; I775-E778 PolarHBondContact O-N 3Å; I775-E778 VanDerWaalsContact O-N 3.13Å; I775-I779 HydrophobicContact CG2-CD1 3.75Å; I775-I779 HydrophobicContact CG2-CG1 4.41Å; I775-I779 WeakPolarHBondContact O-CG1 3.17Å; I775-I779 PolarHBondContact O-N 3.42Å |
| 776 | K | 83.7 | Confident | 80.9 | Confident | 121 Ų | 121 | 92 Ų | 92 | 53% | 0.526 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.4 | -42.8 | 176.4 | 178.3 | -179.5 | 171.7 | -170 | 0 | 112.6 | F772 D773 G774 E778 L780 | F772-K776 WeakPolarHBondContact O-CB 3.22Å; F772-K776 PolarHBondContact O-N 3.2Å; D773-K776 IonicContact OD1-NZ 2.86Å; G774-K776 VanDerWaalsContact C-N 3.34Å; G774-K776 PolarHBondContact O-N 3.24Å; K776-E778 VanDerWaalsContact C-N 3.33Å; K776-L780 HydrophobicContact CG-CD1 4.21Å; K776-L780 WeakPolarHBondContact O-CB 3.41Å; K776-L780 VanDerWaalsContact O-CG 3.25Å; K776-L780 WeakPolarHBondContact O-CG 3.19Å; K776-L780 PolarHBondContact O-N 3.13Å |
| 777 | R | 83.1 | Confident | 79.5 | Confident | 147 Ų | 147 | 96 Ų | 96 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.4 | -34.9 | 175.4 | -80.7 | 173.7 | -72.4 | 174.8 | -2.2 | 112.3 | D773 G774 I775 R781 | D773-R777 WeakPolarHBondContact O-CB 3.44Å; D773-R777 VanDerWaalsContact O-CG 3.31Å; D773-R777 WeakPolarHBondContact O-CG 3.47Å; D773-R777 PolarHBondContact O-N 2.98Å; D773-R777 VanDerWaalsContact O-N 3.09Å; D773-R777 PolarHBondContact O-NE 2.81Å; G774-R777 PolarHBondContact O-N 3.45Å; I775-R777 PolarHBondContact O-N 2.76Å; R777-R781 WeakPolarHBondContact O-CG 3.37Å; R777-R781 PolarHBondContact O-N 3.36Å; R777-R781 VanDerWaalsContact O-N 3.08Å |
| 778 | E | 84.2 | Confident | 77.9 | Confident | 95 Ų | 95 | 99.1 Ų | 99.1 | 44% | 0.444 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -74.8 | -40.1 | 178.4 | -158.4 | 58.4 | -153 | 0 | 0 | 112.6 | G774 I775 K776 L780 R781 T782 | G774-E778 PolarHBondContact O-N 3.39Å; I775-E778 PolarHBondContact O-N 3Å; I775-E778 VanDerWaalsContact O-N 3.13Å; K776-E778 VanDerWaalsContact C-N 3.33Å; E778-L780 VanDerWaalsContact C-N 3.32Å; E778-L780 PolarHBondContact O-N 3.43Å; E778-R781 WeakPolarHBondContact O-CB 3.28Å; E778-R781 PolarHBondContact O-N 2.91Å; E778-R781 WeakPolarHBondContact OE2-CD 3.33Å; E778-R781 IonicContact OE2-CZ 3.09Å; E778-R781 IonicContact OE2-NE 3.67Å; E778-R781 IonicContact OE2-NH1 3.44Å; E778-R781 PolarHBondContact OE2-NH1 3.41Å; E778-T782 PolarHBondContact O-N 2.89Å; E778-T782 PolarHBondContact O-OG1 3.46Å |
| 779 | I | 80.9 | Confident | 76.2 | Confident | 90 Ų | 90 | 102.4 Ų | 102.4 | 46% | 0.462 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.4 | -42.4 | 171.6 | -67 | 168.1 | 0 | 0 | 0 | 110.8 | I775 R781 T782 L783 | I775-I779 HydrophobicContact CG2-CD1 3.75Å; I775-I779 HydrophobicContact CG2-CG1 4.41Å; I775-I779 WeakPolarHBondContact O-CG1 3.17Å; I775-I779 PolarHBondContact O-N 3.42Å; I779-R781 VanDerWaalsContact C-N 3.33Å; I779-R781 PolarHBondContact O-N 3.03Å; I779-T782 PolarHBondContact O-N 3.2Å; I779-T782 PolarHBondContact O-OG1 2.73Å; I779-T782 VanDerWaalsContact O-OG1 3.07Å; I779-L783 HydrophobicContact CG2-CD1 3.92Å; I779-L783 HydrophobicContact CG2-CG 4.48Å; I779-L783 WeakPolarHBondContact O-CG 3.41Å; I779-L783 PolarHBondContact O-N 3.24Å; I779-L783 VanDerWaalsContact O-N 3.08Å |
| 780 | L | 81.2 | Confident | 74 | Confident | 105 Ų | 105 | 109.6 Ų | 109.6 | 55% | 0.55 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.3 | -34.5 | 176.4 | -73 | 168.4 | 0 | 0 | 0 | 112.5 | K776 E778 S784 | K776-L780 HydrophobicContact CG-CD1 4.21Å; K776-L780 WeakPolarHBondContact O-CB 3.41Å; K776-L780 VanDerWaalsContact O-CG 3.25Å; K776-L780 WeakPolarHBondContact O-CG 3.19Å; K776-L780 PolarHBondContact O-N 3.13Å; E778-L780 VanDerWaalsContact C-N 3.32Å; E778-L780 PolarHBondContact O-N 3.43Å; L780-S784 VanDerWaalsContact O-CB 3.28Å; L780-S784 WeakPolarHBondContact O-CB 3.48Å; L780-S784 PolarHBondContact O-N 2.89Å; L780-S784 PolarHBondContact O-OG 2.88Å |
| 781 | R | 80.1 | Confident | 72 | Confident | 157 Ų | 157 | 115.5 Ų | 115.5 | 59% | 0.592 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.5 | -51.7 | 172.6 | -78.5 | 175.1 | -179.1 | 145 | -2.6 | 111.7 | R777 E778 I779 L783 S784 A785 | R777-R781 WeakPolarHBondContact O-CG 3.37Å; R777-R781 PolarHBondContact O-N 3.36Å; R777-R781 VanDerWaalsContact O-N 3.08Å; E778-R781 WeakPolarHBondContact O-CB 3.28Å; E778-R781 PolarHBondContact O-N 2.91Å; E778-R781 WeakPolarHBondContact OE2-CD 3.33Å; E778-R781 IonicContact OE2-CZ 3.09Å; E778-R781 IonicContact OE2-NE 3.67Å; E778-R781 IonicContact OE2-NH1 3.44Å; E778-R781 PolarHBondContact OE2-NH1 3.41Å; I779-R781 VanDerWaalsContact C-N 3.33Å; I779-R781 PolarHBondContact O-N 3.03Å; R781-L783 PolarHBondContact O-N 3.26Å; R781-S784 PolarHBondContact O-N 3.01Å; R781-S784 VanDerWaalsContact O-N 3.16Å; R781-S784 PolarHBondContact O-OG 3.48Å; R781-A785 PolarHBondContact O-N 2.91Å |
| 782 | T | 78.9 | Confident | 69.7 | Low | 88 Ų | 88 | 116.3 Ų | 116.3 | 54% | 0.54 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -64.5 | -39.1 | -175.5 | 53.6 | 0 | 0 | 0 | 0 | 112.1 | E778 I779 A785 | E778-T782 PolarHBondContact O-N 2.89Å; E778-T782 PolarHBondContact O-OG1 3.46Å; I779-T782 PolarHBondContact O-N 3.2Å; I779-T782 PolarHBondContact O-OG1 2.73Å; I779-T782 VanDerWaalsContact O-OG1 3.07Å; T782-A785 PolarHBondContact O-N 3.4Å |
| 783 | L | 75.5 | Confident | 67.3 | Low | 101 Ų | 101 | 118.7 Ų | 118.7 | 53% | 0.529 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.1 | -48.2 | 170.6 | -68.3 | 170.8 | 0 | 0 | 0 | 111.8 | I779 R781 A785 A786 | I779-L783 HydrophobicContact CG2-CD1 3.92Å; I779-L783 HydrophobicContact CG2-CG 4.48Å; I779-L783 WeakPolarHBondContact O-CG 3.41Å; I779-L783 PolarHBondContact O-N 3.24Å; I779-L783 VanDerWaalsContact O-N 3.08Å; R781-L783 PolarHBondContact O-N 3.26Å; L783-A785 PolarHBondContact O-N 2.88Å; L783-A786 PolarHBondContact O-N 3.33Å |
| 784 | S | 70.6 | Confident | 65.1 | Low | 63 Ų | 63 | 122.8 Ų | 122.8 | 44% | 0.441 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65 | -11.2 | -179.4 | 77 | 0 | 0 | 0 | 0 | 115.5 | L780 R781 R788 | L780-S784 VanDerWaalsContact O-CB 3.28Å; L780-S784 WeakPolarHBondContact O-CB 3.48Å; L780-S784 PolarHBondContact O-N 2.89Å; L780-S784 PolarHBondContact O-OG 2.88Å; R781-S784 PolarHBondContact O-N 3.01Å; R781-S784 VanDerWaalsContact O-N 3.16Å; R781-S784 PolarHBondContact O-OG 3.48Å; S784-R788 PolarHBondContact O-NE 3.49Å |
| 785 | A | 66.5 | Low | 62.7 | Low | 67 Ų | 67 | 126.8 Ų | 126.8 | 55% | 0.554 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -88.9 | -26 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R781 T782 L783 | R781-A785 PolarHBondContact O-N 2.91Å; T782-A785 PolarHBondContact O-N 3.4Å; L783-A785 PolarHBondContact O-N 2.88Å |
| 786 | A | 58.6 | Low | 60.6 | Low | 69 Ų | 69 | 127.3 Ų | 127.3 | 57% | 0.57 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -75.9 | -40.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L783 R788 | L783-A786 PolarHBondContact O-N 3.33Å; A786-R788 PolarHBondContact O-N 3.06Å; A786-R788 VanDerWaalsContact O-N 3.11Å |
| 787 | D | 56.8 | Low | 58.4 | Low | 144 Ų | 144 | 126 Ų | 126 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -69.8 | -7.2 | -172.4 | -75.9 | -26.6 | 0 | 0 | 0 | 115.4 | V789 | D787-V789 VanDerWaalsContact C-N 3.28Å; D787-V789 PolarHBondContact O-N 3.05Å; D787-V789 VanDerWaalsContact O-N 3.17Å |
| 788 | R | 53.5 | Low | 56.3 | Low | 208 Ų | 208 | 128.3 Ų | 128.3 | 79% | 0.785 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -84.1 | 15.9 | -167.8 | -63.7 | -170 | 179.9 | -146.4 | -2.6 | 115.9 | S784 A786 | S784-R788 PolarHBondContact O-NE 3.49Å; A786-R788 PolarHBondContact O-N 3.06Å; A786-R788 VanDerWaalsContact O-N 3.11Å |
| 789 | V | 51.9 | Low | 54.1 | Low | 124 Ų | 124 | 131 Ų | 131 | 75% | 0.752 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -103.5 | -8.4 | -163.6 | -177.5 | 0 | 0 | 0 | 0 | 114.4 | D787 | D787-V789 VanDerWaalsContact C-N 3.28Å; D787-V789 PolarHBondContact O-N 3.05Å; D787-V789 VanDerWaalsContact O-N 3.17Å |
| 790 | Y | 39.8 | Very low | 52 | Low | 217 Ų | 217 | 131.4 Ų | 131.4 | 85% | 0.851 | 71% | 0.708 | S | S | * | * | trans | -150.1 | 98.4 | -168.8 | -151.2 | -92.4 | 0 | 0 | 0 | 116.1 | ||||
| 791 | E | 42.4 | Very low | 50 | Low | 187 Ų | 187 | 131.8 Ų | 131.8 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | trans | -167.7 | 138.4 | 162.3 | -134.3 | -178.4 | -137.5 | 0 | 0 | 115.3 | ||||
| 792 | P | 37 | Very low | 47.9 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 73% | 0.728 | S | S | * | * | trans | -115.4 | 162.4 | 159.6 | 36.2 | -25.4 | 0 | 0 | 0 | 113.7 | ||||
| 793 | K | 35.5 | Very low | 46 | Very low | 199 Ų | 199 | 137 Ų | 137 | 87% | 0.865 | 74% | 0.741 | S | S | * | * | trans | -104.9 | 151.5 | -151.9 | -52.5 | 166.2 | -177.2 | 171.3 | 0 | 116.8 | ||||
| 794 | T | 35.9 | Very low | 44.2 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 93% | 0.926 | 75% | 0.753 | S | S | * | * | trans | -150.2 | -179.4 | 143.8 | 9.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 795 | S | 36.4 | Very low | 42.9 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -141.2 | 174.7 | -145.6 | 56 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 796 | S | 39.1 | Very low | 41.5 | Very low | 110 Ų | 110 | 143 Ų | 143 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | 89.9 | 143.2 | 164.7 | -136.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 797 | S | 38.4 | Very low | 40.5 | Very low | 92 Ų | 92 | 145.9 Ų | 145.9 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | cis | -177.3 | 140.8 | -21.1 | 48 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 798 | K | 39.3 | Very low | 39.6 | Very low | 196 Ų | 196 | 142.6 Ų | 142.6 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | 62.7 | 155 | 147 | -73.7 | -176 | 176.3 | 179.3 | 0 | 120.7 | ||||
| 799 | M | 37.5 | Very low | 38.7 | Very low | 153 Ų | 153 | 140 Ų | 140 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | cis | -175.6 | 159.1 | -17.3 | -174 | 174.8 | 86.1 | 0 | 0 | 112.5 | ||||
| 800 | S | 38.2 | Very low | 38 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | 73.8 | 154.3 | 160.1 | -97.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 801 | S | 38 | Very low | 37.8 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | cis | -167.1 | 164.3 | -18.9 | 41.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 802 | K | 36.5 | Very low | 37.4 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | -58 | 156.2 | -174.4 | -49 | 164.2 | 180 | 176.2 | 0 | 118.7 | ||||
| 803 | H | 37.9 | Very low | 37.4 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | 179.6 | 165.1 | 105.4 | -103.4 | -82.7 | 0 | 0 | 0 | 114.7 | |||||
| 804 | V | 37.9 | Very low | 37.3 | Very low | 128 Ų | 128 | 133.7 Ų | 133.7 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | trans | -157.8 | 141.1 | -165.7 | 177.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 805 | P | 44.1 | Very low | 37.1 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | -165.1 | -164.8 | 75.2 | 45.4 | -21.1 | 0 | 0 | 0 | 119.7 | |||||
| 806 | T | 36 | Very low | 37 | Very low | 125 Ų | 125 | 132 Ų | 132 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | trans | 68.5 | 147.3 | 153.7 | 49.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 807 | V | 38.3 | Very low | 36.9 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | cis | -165.3 | 162.5 | -10.7 | 119.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 808 | A | 37.5 | Very low | 36.7 | Very low | 75 Ų | 75 | 135.4 Ų | 135.4 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | trans | 73.6 | 118.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 809 | D | 35.7 | Very low | 36.5 | Very low | 154 Ų | 154 | 134 Ų | 134 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | 48.1 | 120 | 123.9 | -44.9 | -20.6 | 0 | 0 | 0 | 123.3 | |||||
| 810 | S | 36.7 | Very low | 36.4 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 88% | 0.881 | 75% | 0.748 | S | S | * | * | -178.7 | 161 | 116.1 | -78.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 811 | E | 36 | Very low | 36.4 | Very low | 191 Ų | 191 | 133.4 Ų | 133.4 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | trans | -69.7 | 155.1 | -158.1 | -53.6 | 178.9 | 121.7 | 0 | 0 | 120.4 | ||||
| 812 | A | 34.4 | Very low | 36.3 | Very low | 88 Ų | 88 | 134.7 Ų | 134.7 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 78.4 | 125.6 | 132.8 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 813 | K | 35.3 | Very low | 36.4 | Very low | 163 Ų | 163 | 133 Ų | 133 | 71% | 0.709 | 75% | 0.748 | S | S | * | * | trans | 84.2 | 115.1 | 136.5 | -84.4 | 176.7 | 160.5 | -87.4 | 0 | 122.7 | ||||
| 814 | E | 33.2 | Very low | 36.4 | Very low | 143 Ų | 143 | 130.2 Ų | 130.2 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | 73.5 | 98.4 | 128.8 | -72.5 | 163.8 | 159.4 | 0 | 0 | 121.8 | |||||
| 815 | S | 32.3 | Very low | 36.3 | Very low | 109 Ų | 109 | 134 Ų | 134 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | 99 | 165.5 | 111.4 | 76.3 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 816 | V | 35.6 | Very low | 36.2 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | 85.2 | 105.5 | 165.9 | -178.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 817 | D | 35.4 | Very low | 36.3 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 64% | 0.642 | 74% | 0.741 | S | S | * | * | trans | 61.2 | 162.5 | 140.1 | -76 | 13.6 | 0 | 0 | 0 | 122.2 | ||||
| 818 | K | 35.7 | Very low | 36.5 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 67% | 0.665 | 73% | 0.733 | S | S | * | * | cis | -172.1 | -177.8 | -32.2 | -109.8 | -171.7 | -162.5 | 82.5 | 0 | 107.2 | ||||
| 819 | Q | 35.3 | Very low | 36.8 | Very low | 166 Ų | 166 | 137.3 Ų | 137.3 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | 73.5 | 103.7 | 153.6 | -84.7 | 166.3 | -9.7 | 0 | 0 | 117.8 | ||||
| 820 | T | 34.5 | Very low | 37.3 | Very low | 124 Ų | 124 | 132 Ų | 132 | 76% | 0.761 | 72% | 0.724 | S | S | * | * | 82.6 | 150 | 99.5 | 53 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 821 | T | 37.2 | Very low | 38 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 71% | 0.706 | 71% | 0.709 | S | S | * | * | cis | -147 | 147.7 | 29.3 | 5.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 822 | E | 36 | Very low | 38.8 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | trans | 12.9 | 134.1 | 145.6 | -56.1 | -177 | 95.6 | 0 | 0 | 123.8 | Q824 | E822-Q824 PolarHBondContact OE1-NE2 3.44Š| ||
| 823 | V | 39.8 | Very low | 40.3 | Very low | 149 Ų | 149 | 130.1 Ų | 130.1 | 90% | 0.903 | 69% | 0.685 | S | S | * | * | -137.2 | 149 | 125.8 | -180 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 824 | Q | 37.4 | Very low | 41.9 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 53% | 0.528 | 68% | 0.677 | S | S | . | * | trans | -119.8 | 172.3 | -170.3 | -42.2 | -177.1 | -3 | 0 | 0 | 111.9 | E822 | E822-Q824 PolarHBondContact OE1-NE2 3.44Š| ||
| 825 | R | 36.4 | Very low | 43.7 | Very low | 208 Ų | 208 | 125.7 Ų | 125.7 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | cis | -134 | -103.2 | 8.4 | -164.7 | -179.7 | -68.9 | 166 | -0 | 115.2 | ||||
| 826 | P | 41.7 | Very low | 45.7 | Very low | 95 Ų | 95 | 126.6 Ų | 126.6 | 62% | 0.617 | 67% | 0.665 | S | S | * | * | trans | -130.7 | 162 | -144.1 | 38.3 | -17.9 | 0 | 0 | 0 | 118.6 | ||||
| 827 | F | 37.7 | Very low | 47.6 | Very low | 211 Ų | 211 | 127.5 Ų | 127.5 | 93% | 0.925 | 66% | 0.655 | S | S | * | * | trans | -148.9 | 27.1 | 134.6 | -127.7 | -76.7 | 0 | 0 | 0 | 112.4 | G829 | F827-G829 VanDerWaalsContact C-N 3.29Å; F827-G829 PolarHBondContact O-N 3Å | ||
| 828 | D | 42.8 | Very low | 49.4 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 63% | 0.631 | 65% | 0.65 | S | S | * | * | trans | -75.6 | 66.1 | -172.9 | -64.1 | -69.9 | 0 | 0 | 0 | 114.2 | ||||
| 829 | G | 43.2 | Very low | 51.3 | Low | 78 Ų | 78 | 122.5 Ų | 122.5 | 80% | 0.804 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -94.7 | -14.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | F827 | F827-G829 VanDerWaalsContact C-N 3.29Å; F827-G829 PolarHBondContact O-N 3Å |
| 830 | G | 46.2 | Very low | 53.4 | Low | 44 Ų | 44 | 119.5 Ų | 119.5 | 45% | 0.454 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -122 | -21.8 | -166.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 831 | I | 52.7 | Low | 55.6 | Low | 109 Ų | 109 | 118.3 Ų | 118.3 | 56% | 0.559 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -78.3 | -40.3 | -170.1 | -62.6 | 175.9 | 0 | 0 | 0 | 111.9 | D833 V834 E835 | I831-D833 VanDerWaalsContact C-N 3.34Å; I831-D833 PolarHBondContact O-N 3.46Å; I831-V834 WeakPolarHBondContact O-CB 3.48Å; I831-V834 PolarHBondContact O-N 3.3Å; I831-E835 PolarHBondContact O-N 3.36Å; I831-E835 VanDerWaalsContact O-N 3.09Å |
| 832 | Y | 52.9 | Low | 57.6 | Low | 181 Ų | 181 | 118.6 Ų | 118.6 | 71% | 0.71 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.4 | -37.6 | 178.5 | -87.4 | -84.6 | 0 | 0 | 0 | 113.6 | V834 Q836 | Y832-V834 VanDerWaalsContact C-N 3.27Å; Y832-V834 PolarHBondContact O-N 2.92Å; Y832-Q836 VanDerWaalsContact O-CB 3.25Å; Y832-Q836 WeakPolarHBondContact O-CB 3.33Å; Y832-Q836 PolarHBondContact O-N 2.53Å |
| 833 | D | 64.1 | Low | 59.9 | Low | 75 Ų | 75 | 118.7 Ų | 118.7 | 40% | 0.401 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.9 | -26.8 | 176.2 | -179.6 | 45.4 | 0 | 0 | 0 | 112 | I831 R837 | I831-D833 VanDerWaalsContact C-N 3.34Å; I831-D833 PolarHBondContact O-N 3.46Å; D833-R837 VanDerWaalsContact CG-NE 3.33Å; D833-R837 WeakPolarHBondContact O-CB 3.22Å; D833-R837 VanDerWaalsContact O-CD 3.28Å; D833-R837 WeakPolarHBondContact O-CD 3.47Å; D833-R837 WeakPolarHBondContact O-CG 3.45Å; D833-R837 PolarHBondContact O-N 3Å; D833-R837 IonicContact OD1-CZ 2.68Å; D833-R837 VanDerWaalsContact OD1-CZ 3.22Å; D833-R837 IonicContact OD1-NE 2.7Å; D833-R837 PolarHBondContact OD1-NE 2.9Å; D833-R837 IonicContact OD1-NH2 3.18Å; D833-R837 PolarHBondContact OD1-NH2 3.44Å; D833-R837 IonicContact OD2-CZ 3.7Å; D833-R837 IonicContact OD2-NE 3.22Å; D833-R837 PolarHBondContact OD2-NE 2.73Å; D833-R837 IonicContact OD2-NH2 3.98Å; D833-R837 PolarHBondContact OD2-NH2 3.27Å |
| 834 | V | 69.7 | Low | 62 | Low | 91 Ų | 91 | 117.6 Ų | 117.6 | 55% | 0.552 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -77 | -48.9 | 174.5 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | I831 Y832 Q836 R837 L838 | I831-V834 WeakPolarHBondContact O-CB 3.48Å; I831-V834 PolarHBondContact O-N 3.3Å; Y832-V834 VanDerWaalsContact C-N 3.27Å; Y832-V834 PolarHBondContact O-N 2.92Å; V834-Q836 PolarHBondContact O-N 2.96Å; V834-R837 PolarHBondContact O-N 3.06Å; V834-L838 WeakPolarHBondContact O-CB 3.46Å; V834-L838 PolarHBondContact O-N 3.3Å |
| 835 | E | 71.3 | Confident | 64.1 | Low | 122 Ų | 122 | 117.1 Ų | 117.1 | 57% | 0.57 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.3 | -43.7 | 177.1 | -76.7 | -167.1 | 128.9 | 0 | 0 | 111.8 | I831 R837 L838 S839 | I831-E835 PolarHBondContact O-N 3.36Å; I831-E835 VanDerWaalsContact O-N 3.09Å; E835-R837 VanDerWaalsContact C-N 3.34Å; E835-R837 PolarHBondContact O-N 2.82Å; E835-L838 PolarHBondContact O-N 2.9Å; E835-L838 VanDerWaalsContact O-N 3.08Å; E835-S839 PolarHBondContact O-N 3.14Å; E835-S839 PolarHBondContact O-OG 2.73Å |
| 836 | Q | 73.5 | Confident | 66.5 | Low | 127 Ų | 127 | 111.6 Ų | 111.6 | 59% | 0.593 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.8 | -38.1 | -179.7 | -166.3 | 169.8 | 19 | 0 | 0 | 112.2 | Y832 V834 Q840 | Y832-Q836 VanDerWaalsContact O-CB 3.25Å; Y832-Q836 WeakPolarHBondContact O-CB 3.33Å; Y832-Q836 PolarHBondContact O-N 2.53Å; V834-Q836 PolarHBondContact O-N 2.96Å; Q836-Q840 WeakPolarHBondContact O-CG 3.22Å; Q836-Q840 PolarHBondContact O-N 3.05Å; Q836-Q840 VanDerWaalsContact O-N 3.1Å |
| 837 | R | 75.3 | Confident | 68.4 | Low | 140 Ų | 140 | 109.3 Ų | 109.3 | 53% | 0.528 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -68.2 | -35.1 | 172 | -73.2 | 172.4 | -162.6 | -154.1 | 6.2 | 112.8 | D833 V834 E835 Q840 L841 | D833-R837 VanDerWaalsContact CG-NE 3.33Å; D833-R837 WeakPolarHBondContact O-CB 3.22Å; D833-R837 VanDerWaalsContact O-CD 3.28Å; D833-R837 WeakPolarHBondContact O-CD 3.47Å; D833-R837 WeakPolarHBondContact O-CG 3.45Å; D833-R837 PolarHBondContact O-N 3Å; D833-R837 IonicContact OD1-CZ 2.68Å; D833-R837 VanDerWaalsContact OD1-CZ 3.22Å; D833-R837 IonicContact OD1-NE 2.7Å; D833-R837 PolarHBondContact OD1-NE 2.9Å; D833-R837 IonicContact OD1-NH2 3.18Å; D833-R837 PolarHBondContact OD1-NH2 3.44Å; D833-R837 IonicContact OD2-CZ 3.7Å; D833-R837 IonicContact OD2-NE 3.22Å; D833-R837 PolarHBondContact OD2-NE 2.73Å; D833-R837 IonicContact OD2-NH2 3.98Å; D833-R837 PolarHBondContact OD2-NH2 3.27Å; V834-R837 PolarHBondContact O-N 3.06Å; E835-R837 VanDerWaalsContact C-N 3.34Å; E835-R837 PolarHBondContact O-N 2.82Å; R837-Q840 PolarHBondContact O-N 2.68Å; R837-L841 WeakPolarHBondContact O-CB 3.38Å; R837-L841 WeakPolarHBondContact O-CG 3.5Å; R837-L841 PolarHBondContact O-N 3.39Å |
| 838 | L | 73.3 | Confident | 70.5 | Confident | 101 Ų | 101 | 102 Ų | 102 | 53% | 0.529 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -71.9 | -38.1 | -178.5 | -152.1 | 143.5 | 0 | 0 | 0 | 111.3 | V834 E835 L841 Q842 | V834-L838 WeakPolarHBondContact O-CB 3.46Å; V834-L838 PolarHBondContact O-N 3.3Å; E835-L838 PolarHBondContact O-N 2.9Å; E835-L838 VanDerWaalsContact O-N 3.08Å; L838-L841 PolarHBondContact O-N 2.87Å; L838-Q842 PolarHBondContact O-N 3.07Å |
| 839 | S | 77.3 | Confident | 72.4 | Confident | 67 Ų | 67 | 100.4 Ų | 100.4 | 47% | 0.469 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 168.5 | -60.5 | 0 | 0 | 0 | 0 | 112.3 | E835 L841 Q842 E843 | E835-S839 PolarHBondContact O-N 3.14Å; E835-S839 PolarHBondContact O-OG 2.73Å; S839-L841 VanDerWaalsContact C-N 3.3Å; S839-L841 PolarHBondContact O-N 3.48Å; S839-Q842 PolarHBondContact O-N 3.23Å; S839-Q842 VanDerWaalsContact O-N 3.11Å; S839-E843 PolarHBondContact O-N 3.19Å |
| 840 | Q | 78.8 | Confident | 74.4 | Confident | 103 Ų | 103 | 102 Ų | 102 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.3 | -38.5 | 175.5 | -76.7 | 178.3 | -6.1 | 0 | 0 | 112.5 | Q836 R837 E843 Q844 | Q836-Q840 WeakPolarHBondContact O-CG 3.22Å; Q836-Q840 PolarHBondContact O-N 3.05Å; Q836-Q840 VanDerWaalsContact O-N 3.1Å; R837-Q840 PolarHBondContact O-N 2.68Å; Q840-E843 PolarHBondContact O-N 3.33Å; Q840-Q844 WeakPolarHBondContact O-CB 3.28Å; Q840-Q844 WeakPolarHBondContact O-CG 3.45Å; Q840-Q844 PolarHBondContact O-N 2.89Å |
| 841 | L | 79.8 | Confident | 76.2 | Confident | 98 Ų | 98 | 108 Ų | 108 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 173.6 | -83.2 | 165.6 | 0 | 0 | 0 | 112.2 | R837 L838 S839 Q844 I845 | R837-L841 WeakPolarHBondContact O-CB 3.38Å; R837-L841 WeakPolarHBondContact O-CG 3.5Å; R837-L841 PolarHBondContact O-N 3.39Å; L838-L841 PolarHBondContact O-N 2.87Å; S839-L841 VanDerWaalsContact C-N 3.3Å; S839-L841 PolarHBondContact O-N 3.48Å; L841-Q844 PolarHBondContact O-N 2.87Å; L841-I845 WeakPolarHBondContact O-CB 3.41Å; L841-I845 WeakPolarHBondContact O-CD1 3.25Å; L841-I845 VanDerWaalsContact O-CG1 3.23Å; L841-I845 WeakPolarHBondContact O-CG1 3.44Å; L841-I845 PolarHBondContact O-N 2.97Å |
| 842 | Q | 80.8 | Confident | 77.7 | Confident | 122 Ų | 122 | 106.8 Ų | 106.8 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.1 | -45.2 | 173.6 | -75.4 | -170.7 | -50.5 | 0 | 0 | 112 | L838 S839 Q844 I845 V846 | L838-Q842 PolarHBondContact O-N 3.07Å; S839-Q842 PolarHBondContact O-N 3.23Å; S839-Q842 VanDerWaalsContact O-N 3.11Å; Q842-Q844 PolarHBondContact O-N 2.77Å; Q842-I845 PolarHBondContact O-N 3.1Å; Q842-V846 WeakPolarHBondContact O-CG2 3.21Å; Q842-V846 PolarHBondContact O-N 2.88Å |
| 843 | E | 83.4 | Confident | 79.2 | Confident | 141 Ų | 141 | 102.3 Ų | 102.3 | 66% | 0.659 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.4 | -37.8 | 176.8 | -69 | -172.6 | 149.2 | 0 | 0 | 112.5 | S839 Q840 S847 | S839-E843 PolarHBondContact O-N 3.19Å; Q840-E843 PolarHBondContact O-N 3.33Å; E843-S847 VanDerWaalsContact O-CB 3.27Å; E843-S847 WeakPolarHBondContact O-CB 3.31Å; E843-S847 PolarHBondContact O-N 3.04Å; E843-S847 PolarHBondContact O-OG 3.17Å |
| 844 | Q | 83.7 | Confident | 80.2 | Confident | 125 Ų | 125 | 102.2 Ų | 102.2 | 58% | 0.584 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 173.3 | -75.2 | -176.1 | 0.1 | 0 | 0 | 112.6 | Q840 L841 Q842 S847 S848 | Q840-Q844 WeakPolarHBondContact O-CB 3.28Å; Q840-Q844 WeakPolarHBondContact O-CG 3.45Å; Q840-Q844 PolarHBondContact O-N 2.89Å; L841-Q844 PolarHBondContact O-N 2.87Å; Q842-Q844 PolarHBondContact O-N 2.77Å; Q844-S847 PolarHBondContact O-OG 3.12Å; Q844-S848 VanDerWaalsContact O-CB 3.22Å; Q844-S848 WeakPolarHBondContact O-CB 3.48Å; Q844-S848 PolarHBondContact O-N 3.29Å; Q844-S848 PolarHBondContact O-OG 2.81Å |
| 845 | I | 82.5 | Confident | 81 | Confident | 104 Ų | 104 | 104.1 Ų | 104.1 | 53% | 0.533 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67 | -48.5 | 176.2 | -70.4 | 165.3 | 0 | 0 | 0 | 110.5 | L841 Q842 S847 S848 V849 | L841-I845 WeakPolarHBondContact O-CB 3.41Å; L841-I845 WeakPolarHBondContact O-CD1 3.25Å; L841-I845 VanDerWaalsContact O-CG1 3.23Å; L841-I845 WeakPolarHBondContact O-CG1 3.44Å; L841-I845 PolarHBondContact O-N 2.97Å; Q842-I845 PolarHBondContact O-N 3.1Å; I845-S847 PolarHBondContact O-N 3.2Å; I845-S848 PolarHBondContact O-N 3.42Å; I845-S848 PolarHBondContact O-OG 3.21Å; I845-V849 HydrophobicContact CG2-CG2 4.47Å; I845-V849 WeakPolarHBondContact O-CG2 3.36Å; I845-V849 PolarHBondContact O-N 2.86Å |
| 846 | V | 85 | Confident | 81.5 | Confident | 91 Ų | 91 | 105.4 Ų | 105.4 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.2 | -48.7 | 179.2 | 172.2 | 0 | 0 | 0 | 0 | 111 | Q842 S848 V849 Q850 | Q842-V846 WeakPolarHBondContact O-CG2 3.21Å; Q842-V846 PolarHBondContact O-N 2.88Å; V846-S848 VanDerWaalsContact C-N 3.34Å; V846-S848 PolarHBondContact O-N 2.81Å; V846-V849 PolarHBondContact O-N 3.4Å; V846-Q850 WeakPolarHBondContact O-CB 3.35Å; V846-Q850 PolarHBondContact O-N 3.46Å |
| 847 | S | 82 | Confident | 81.9 | Confident | 48 Ų | 48 | 103.7 Ų | 103.7 | 34% | 0.336 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.9 | -27.8 | -179.3 | 61 | 0 | 0 | 0 | 0 | 113.9 | E843 Q844 I845 R851 | E843-S847 VanDerWaalsContact O-CB 3.27Å; E843-S847 WeakPolarHBondContact O-CB 3.31Å; E843-S847 PolarHBondContact O-N 3.04Å; E843-S847 PolarHBondContact O-OG 3.17Å; Q844-S847 PolarHBondContact O-OG 3.12Å; I845-S847 PolarHBondContact O-N 3.2Å; S847-R851 VanDerWaalsContact O-CG 3.31Å; S847-R851 WeakPolarHBondContact O-CG 3.49Å; S847-R851 PolarHBondContact O-N 2.88Å |
| 848 | S | 82.4 | Confident | 82 | Confident | 56 Ų | 56 | 102 Ų | 102 | 39% | 0.392 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -76 | -41.4 | 173.4 | 60.5 | 0 | 0 | 0 | 0 | 112.5 | Q844 I845 V846 V852 | Q844-S848 VanDerWaalsContact O-CB 3.22Å; Q844-S848 WeakPolarHBondContact O-CB 3.48Å; Q844-S848 PolarHBondContact O-N 3.29Å; Q844-S848 PolarHBondContact O-OG 2.81Å; I845-S848 PolarHBondContact O-N 3.42Å; I845-S848 PolarHBondContact O-OG 3.21Å; V846-S848 VanDerWaalsContact C-N 3.34Å; V846-S848 PolarHBondContact O-N 2.81Å; S848-V852 WeakPolarHBondContact O-CG2 3.39Å; S848-V852 PolarHBondContact O-N 2.67Å |
| 849 | V | 82.5 | Confident | 82.3 | Confident | 85 Ų | 85 | 103.1 Ų | 103.1 | 52% | 0.515 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 173 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | I845 V846 R851 V852 V853 | I845-V849 HydrophobicContact CG2-CG2 4.47Å; I845-V849 WeakPolarHBondContact O-CG2 3.36Å; I845-V849 PolarHBondContact O-N 2.86Å; V846-V849 PolarHBondContact O-N 3.4Å; V849-R851 PolarHBondContact O-N 2.97Å; V849-V852 PolarHBondContact O-N 2.81Å; V849-V852 VanDerWaalsContact O-N 3.09Å; V849-V853 PolarHBondContact O-N 3.13Å |
| 850 | Q | 85 | Confident | 82.3 | Confident | 113 Ų | 113 | 107 Ų | 107 | 53% | 0.528 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -45.3 | -178.6 | -168.4 | 163.6 | -8.2 | 0 | 0 | 111.7 | V846 V852 V853 D854 | V846-Q850 WeakPolarHBondContact O-CB 3.35Å; V846-Q850 PolarHBondContact O-N 3.46Å; Q850-V852 VanDerWaalsContact C-N 3.26Å; Q850-V852 PolarHBondContact O-N 3.24Å; Q850-V853 WeakPolarHBondContact O-CB 3.31Å; Q850-V853 PolarHBondContact O-N 3.17Å; Q850-V853 VanDerWaalsContact O-N 3.09Å; Q850-D854 PolarHBondContact O-N 3.13Å |
| 851 | R | 83.5 | Confident | 82.2 | Confident | 168 Ų | 168 | 105.3 Ų | 105.3 | 63% | 0.634 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -57.1 | -34.9 | 172.9 | -73.1 | 177 | -159 | 157 | 8.6 | 113.9 | S847 V849 Q855 | S847-R851 VanDerWaalsContact O-CG 3.31Å; S847-R851 WeakPolarHBondContact O-CG 3.49Å; S847-R851 PolarHBondContact O-N 2.88Å; V849-R851 PolarHBondContact O-N 2.97Å; R851-Q855 WeakPolarHBondContact O-CB 3.37Å; R851-Q855 WeakPolarHBondContact O-CG 3.4Å; R851-Q855 PolarHBondContact O-N 2.7Å |
| 852 | V | 85.5 | Confident | 81.9 | Confident | 85 Ų | 85 | 104 Ų | 104 | 52% | 0.515 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -74.5 | -34.1 | 178.6 | 172 | 0 | 0 | 0 | 0 | 111.5 | S848 V849 Q850 K856 | S848-V852 WeakPolarHBondContact O-CG2 3.39Å; S848-V852 PolarHBondContact O-N 2.67Å; V849-V852 PolarHBondContact O-N 2.81Å; V849-V852 VanDerWaalsContact O-N 3.09Å; Q850-V852 VanDerWaalsContact C-N 3.26Å; Q850-V852 PolarHBondContact O-N 3.24Å; V852-K856 PolarHBondContact O-N 2.86Å |
| 853 | V | 83.8 | Confident | 81.3 | Confident | 86 Ų | 86 | 105.8 Ų | 105.8 | 52% | 0.521 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66 | -50.3 | 170.7 | 174 | 0 | 0 | 0 | 0 | 110.1 | V849 Q850 Q855 K856 L857 | V849-V853 PolarHBondContact O-N 3.13Å; Q850-V853 WeakPolarHBondContact O-CB 3.31Å; Q850-V853 PolarHBondContact O-N 3.17Å; Q850-V853 VanDerWaalsContact O-N 3.09Å; V853-Q855 PolarHBondContact O-N 3.17Å; V853-K856 PolarHBondContact O-N 2.9Å; V853-K856 VanDerWaalsContact O-N 3.1Å; V853-L857 PolarHBondContact O-N 3.19Å |
| 854 | D | 85.8 | Confident | 80.4 | Confident | 73 Ų | 73 | 106.1 Ų | 106.1 | 39% | 0.39 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 179.7 | -60.6 | -26.9 | 0 | 0 | 0 | 111.2 | Q850 K856 L857 D858 | Q850-D854 PolarHBondContact O-N 3.13Å; D854-K856 VanDerWaalsContact C-N 3.3Å; D854-K856 PolarHBondContact O-N 3.23Å; D854-L857 PolarHBondContact O-N 2.69Å; D854-L857 VanDerWaalsContact O-N 3.13Å; D854-D858 PolarHBondContact O-N 3.39Å |
| 855 | Q | 85.4 | Confident | 79 | Confident | 131 Ų | 131 | 104 Ų | 104 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.2 | -35.3 | 174.8 | -82.9 | -168.5 | -30.3 | 0 | 0 | 113.6 | R851 V853 Q859 | R851-Q855 WeakPolarHBondContact O-CB 3.37Å; R851-Q855 WeakPolarHBondContact O-CG 3.4Å; R851-Q855 PolarHBondContact O-N 2.7Å; V853-Q855 PolarHBondContact O-N 3.17Å; Q855-Q859 WeakPolarHBondContact O-CB 3.3Å; Q855-Q859 WeakPolarHBondContact O-CG 3.46Å; Q855-Q859 PolarHBondContact O-N 3.17Å |
| 856 | K | 81.9 | Confident | 77.1 | Confident | 150 Ų | 150 | 106.1 Ų | 106.1 | 65% | 0.652 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -74.2 | -35 | 175 | -83.3 | -166.9 | 172.6 | -172.9 | 0 | 112.2 | V852 V853 D854 Q859 W860 | V852-K856 PolarHBondContact O-N 2.86Å; V853-K856 PolarHBondContact O-N 2.9Å; V853-K856 VanDerWaalsContact O-N 3.1Å; D854-K856 VanDerWaalsContact C-N 3.3Å; D854-K856 PolarHBondContact O-N 3.23Å; K856-Q859 PolarHBondContact O-N 3.14Å; K856-W860 WeakPolarHBondContact O-CB 3.21Å; K856-W860 PolarHBondContact O-N 2.86Å |
| 857 | L | 81.3 | Confident | 75.1 | Confident | 90 Ų | 90 | 107.1 Ų | 107.1 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.6 | -45.6 | 175.1 | -169.1 | 65.2 | 0 | 0 | 0 | 110.4 | V853 D854 Q859 W860 L861 | V853-L857 PolarHBondContact O-N 3.19Å; D854-L857 PolarHBondContact O-N 2.69Å; D854-L857 VanDerWaalsContact O-N 3.13Å; L857-Q859 PolarHBondContact O-N 3.43Å; L857-W860 WeakPolarHBondContact O-CB 3.31Å; L857-W860 PolarHBondContact O-N 2.04Å; L857-W860 VanDerWaalsContact O-N 3.09Å; L857-L861 HydrophobicContact CG-CD1 4.07Å; L857-L861 HydrophobicContact CG-CG 4.5Å; L857-L861 WeakPolarHBondContact O-CB 3.43Å; L857-L861 WeakPolarHBondContact O-CG 3.42Å; L857-L861 PolarHBondContact O-N 3.05Å |
| 858 | D | 78.8 | Confident | 73.2 | Confident | 105 Ų | 105 | 113.8 Ų | 113.8 | 56% | 0.561 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.1 | -40.3 | 173.4 | -79 | -18.3 | 0 | 0 | 0 | 112.4 | D854 W860 S862 | D854-D858 PolarHBondContact O-N 3.39Å; D858-W860 PolarHBondContact O-N 3.01Å; D858-S862 VanDerWaalsContact O-CB 3.23Å; D858-S862 WeakPolarHBondContact O-CB 3.42Å; D858-S862 PolarHBondContact O-N 2.78Å; D858-S862 PolarHBondContact O-OG 3.22Å |
| 859 | Q | 79.5 | Confident | 71.3 | Confident | 124 Ų | 124 | 115.7 Ų | 115.7 | 58% | 0.579 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.5 | -23.1 | 173.4 | -81.1 | -169.2 | 7.2 | 0 | 0 | 114 | Q855 K856 L857 S862 K863 | Q855-Q859 WeakPolarHBondContact O-CB 3.3Å; Q855-Q859 WeakPolarHBondContact O-CG 3.46Å; Q855-Q859 PolarHBondContact O-N 3.17Å; K856-Q859 PolarHBondContact O-N 3.14Å; L857-Q859 PolarHBondContact O-N 3.43Å; Q859-S862 WeakPolarHBondContact CA-OG 3.05Å; Q859-K863 WeakPolarHBondContact O-CD 3.47Å; Q859-K863 WeakPolarHBondContact O-CG 3.4Å |
| 860 | W | 76.9 | Confident | 69 | Low | 148 Ų | 148 | 120.3 Ų | 120.3 | 56% | 0.561 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -84.6 | -49.5 | 176.1 | -173.2 | 84 | 0 | 0 | 0 | 110.5 | K856 L857 D858 S862 K863 F864 | K856-W860 WeakPolarHBondContact O-CB 3.21Å; K856-W860 PolarHBondContact O-N 2.86Å; L857-W860 WeakPolarHBondContact O-CB 3.31Å; L857-W860 PolarHBondContact O-N 2.04Å; L857-W860 VanDerWaalsContact O-N 3.09Å; D858-W860 PolarHBondContact O-N 3.01Å; W860-S862 PolarHBondContact O-N 2.92Å; W860-K863 PolarHBondContact O-N 2.67Å; W860-F864 AromaticContact CD1-CD2 3.88Å; W860-F864 AromaticContact CD1-CE2 3.99Å; W860-F864 HydrophobicContact CD2-CD2 4.39Å; W860-F864 HydrophobicContact CG-CD2 4.26Å; W860-F864 AromaticContact NE1-CD2 3.76Å; W860-F864 AromaticContact NE1-CE2 3.89Å; W860-F864 WeakPolarHBondContact O-CD2 3.36Å; W860-F864 PolarHBondContact O-N 2.74Å |
| 861 | L | 77 | Confident | 66.8 | Low | 68 Ų | 68 | 122 Ų | 122 | 36% | 0.356 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -59.7 | -43.3 | 175.4 | -68.4 | 171.8 | 0 | 0 | 0 | 111.9 | L857 K863 F864 C865 | L857-L861 HydrophobicContact CG-CD1 4.07Å; L857-L861 HydrophobicContact CG-CG 4.5Å; L857-L861 WeakPolarHBondContact O-CB 3.43Å; L857-L861 WeakPolarHBondContact O-CG 3.42Å; L857-L861 PolarHBondContact O-N 3.05Å; L861-K863 PolarHBondContact O-N 3.35Å; L861-F864 PolarHBondContact O-N 3.11Å; L861-C865 WeakPolarHBondContact O-CA 3.24Å; L861-C865 VanDerWaalsContact O-CB 3.28Å; L861-C865 WeakPolarHBondContact O-CB 3.49Å; L861-C865 PolarHBondContact O-N 2.87Å |
| 862 | S | 72.3 | Confident | 64.6 | Low | 72 Ų | 72 | 117.6 Ų | 117.6 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.4 | -16.4 | 176.5 | 54 | 0 | 0 | 0 | 0 | 114.3 | D858 Q859 W860 | D858-S862 VanDerWaalsContact O-CB 3.23Å; D858-S862 WeakPolarHBondContact O-CB 3.42Å; D858-S862 PolarHBondContact O-N 2.78Å; D858-S862 PolarHBondContact O-OG 3.22Å; Q859-S862 WeakPolarHBondContact CA-OG 3.05Å; W860-S862 PolarHBondContact O-N 2.92Å |
| 863 | K | 70.1 | Confident | 62.4 | Low | 158 Ų | 158 | 121.3 Ų | 121.3 | 69% | 0.687 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -93.6 | -29.1 | 173.8 | -79.7 | 179.6 | 176.5 | 176.7 | 0 | 114.6 | Q859 W860 L861 | Q859-K863 WeakPolarHBondContact O-CD 3.47Å; Q859-K863 WeakPolarHBondContact O-CG 3.4Å; W860-K863 PolarHBondContact O-N 2.67Å; L861-K863 PolarHBondContact O-N 3.35Å |
| 864 | F | 63.5 | Low | 60.2 | Low | 148 Ų | 148 | 125.1 Ų | 125.1 | 65% | 0.649 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -116.4 | -12.9 | -172.4 | -71.6 | -76.2 | 0 | 0 | 0 | 114.6 | W860 L861 | W860-F864 AromaticContact CD1-CD2 3.88Å; W860-F864 AromaticContact CD1-CE2 3.99Å; W860-F864 HydrophobicContact CD2-CD2 4.39Å; W860-F864 HydrophobicContact CG-CD2 4.26Å; W860-F864 AromaticContact NE1-CD2 3.76Å; W860-F864 AromaticContact NE1-CE2 3.89Å; W860-F864 WeakPolarHBondContact O-CD2 3.36Å; W860-F864 PolarHBondContact O-N 2.74Å; L861-F864 PolarHBondContact O-N 3.11Å |
| 865 | C | 53.9 | Low | 57.9 | Low | 81 Ų | 81 | 127.1 Ų | 127.1 | 55% | 0.547 | 66% | 0.66 | S | S | . | * | trans | -117.4 | 25.8 | 179 | -57.3 | 0 | 0 | 0 | 0 | 113 | L861 P867 | L861-C865 WeakPolarHBondContact O-CA 3.24Å; L861-C865 VanDerWaalsContact O-CB 3.28Å; L861-C865 WeakPolarHBondContact O-CB 3.49Å; L861-C865 PolarHBondContact O-N 2.87Å; C865-P867 VanDerWaalsContact O-CD 3.31Å; C865-P867 WeakPolarHBondContact O-CD 3.09Å | ||
| 866 | Q | 43.1 | Very low | 55.7 | Low | 148 Ų | 148 | 129.6 Ų | 129.6 | 69% | 0.692 | 67% | 0.671 | S | S | * | * | trans | -68.8 | 119.1 | 155.5 | -77.6 | -166.7 | -10.2 | 0 | 0 | 108.3 | H868 | Q866-H868 PolarHBondContact O-N 2.93Š| ||
| 867 | P | 42.5 | Very low | 53.7 | Low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | trans | -69.5 | 117.3 | 169.9 | 29.1 | -31.7 | 0 | 0 | 0 | 108.1 | C865 S869 | C865-P867 VanDerWaalsContact O-CD 3.31Å; C865-P867 WeakPolarHBondContact O-CD 3.09Å; P867-S869 PolarHBondContact O-N 2.82Å | ||
| 868 | H | 42.6 | Very low | 51.6 | Low | 189 Ų | 189 | 127.8 Ų | 127.8 | 88% | 0.875 | 69% | 0.685 | S | S | * | * | trans | -69.8 | 83.2 | 166.7 | -96.7 | -66.7 | 0 | 0 | 0 | 109.3 | Q866 | Q866-H868 PolarHBondContact O-N 2.93Š| ||
| 869 | S | 41.6 | Very low | 49.7 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | trans | -65.7 | 153.8 | 166.4 | 46.9 | 0 | 0 | 0 | 0 | 110.9 | P867 D871 | P867-S869 PolarHBondContact O-N 2.82Å; S869-D871 PolarHBondContact O-N 2.9Å | ||
| 870 | H | 36 | Very low | 47.8 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 84% | 0.843 | 71% | 0.707 | S | S | * | * | trans | -68.1 | 122.2 | 177.4 | -85.8 | -109.9 | 0 | 0 | 0 | 112.1 | ||||
| 871 | D | 38.6 | Very low | 45.9 | Very low | 149 Ų | 149 | 133.5 Ų | 133.5 | 80% | 0.797 | 72% | 0.72 | S | S | * | * | trans | -138.9 | 128.7 | 142.4 | -67.8 | -56.1 | 0 | 0 | 0 | 104.7 | S869 | S869-D871 PolarHBondContact O-N 2.9Š| ||
| 872 | A | 37.2 | Very low | 44.5 | Very low | 76 Ų | 76 | 136.1 Ų | 136.1 | 63% | 0.628 | 74% | 0.739 | S | S | * | * | cis | 64.4 | 70.7 | 21 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 873 | D | 38 | Very low | 43.3 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 87% | 0.872 | 75% | 0.754 | S | S | * | * | -163.5 | 175 | 118.8 | -105.4 | -15.6 | 0 | 0 | 0 | 115.8 | |||||
| 874 | E | 38.4 | Very low | 41.9 | Very low | 165 Ų | 165 | 140.1 Ų | 140.1 | 77% | 0.771 | 78% | 0.783 | S | S | * | * | trans | -69.4 | 151.6 | -158.3 | -48.3 | -178 | 115.3 | 0 | 0 | 117.4 | ||||
| 875 | S | 37.5 | Very low | 40.8 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -166 | 105.8 | 131.6 | 23.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 876 | H | 39.6 | Very low | 40.1 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | 8.7 | 118.7 | 159.4 | -59.9 | -71.8 | 0 | 0 | 0 | 121.8 | ||||
| 877 | S | 38.4 | Very low | 39.9 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | -159.6 | 95.5 | 122.7 | -163.8 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 878 | S | 37.6 | Very low | 39.8 | Very low | 85 Ų | 85 | 144.4 Ų | 144.4 | 59% | 0.594 | 81% | 0.814 | S | S | * | * | trans | 50.5 | 89.3 | 137.1 | 176.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 879 | K | 39.8 | Very low | 39.6 | Very low | 189 Ų | 189 | 141.6 Ų | 141.6 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | 119 | 103.3 | 122.9 | -70.9 | 165.9 | -171.3 | 168.3 | 0 | 120 | |||||
| 880 | K | 38.2 | Very low | 39.5 | Very low | 181 Ų | 181 | 144.7 Ų | 144.7 | 79% | 0.787 | 82% | 0.819 | S | S | * | * | trans | 50.1 | 112.1 | 138.2 | -66.5 | -166.4 | 174.4 | -167.1 | 0 | 120.3 | ||||
| 881 | P | 37.2 | Very low | 39.7 | Very low | 127 Ų | 127 | 142 Ų | 142 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -88.7 | 147.9 | 130.8 | 35.4 | -29.5 | 0 | 0 | 0 | 111.2 | ||||
| 882 | T | 47.8 | Very low | 39.8 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 76% | 0.755 | 82% | 0.819 | S | S | * | * | trans | -149.3 | 136.5 | 164.3 | 42.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 883 | A | 46.9 | Very low | 40 | Very low | 99 Ų | 99 | 146.9 Ų | 146.9 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -56.8 | 136.2 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 884 | V | 40.7 | Very low | 40.2 | Very low | 215 Ų | 215 | 145.5 Ų | 145.5 | 100% | 1.303 | 83% | 0.832 | S | S | * | * | -127 | 0 | 94 | 171 | 0 | 0 | 0 | 0 | 107.4 |
Retrieved 884 of 884 residues in 898.5 ms
(Link to these results)