| 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 | 34 | Very low | 35.5 | Very low | 249 Ų | 249 | 122.1 Ų | 122.1 | 100% | 1.227 | 76% | 0.764 | S | S | * | * | 0 | 99 | 0 | -91.3 | 158.8 | 118.6 | 0 | 0 | 107.4 | |||||
| 2 | G | 29.5 | Very low | 38.1 | Very low | 76 Ų | 76 | 119.4 Ų | 119.4 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | trans | -76.7 | 120.3 | -174 | 0 | 0 | 0 | 0 | 0 | 111.3 | L4 | G2-L4 PolarHBondContact O-N 3.05Š| ||
| 3 | G | 27.6 | Very low | 40.2 | Very low | 78 Ų | 78 | 117.8 Ų | 117.8 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -75.1 | 101.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | T5 | G3-T5 PolarHBondContact O-N 3.38Š| ||
| 4 | L | 31 | Very low | 42.2 | Very low | 171 Ų | 171 | 112.6 Ų | 112.6 | 90% | 0.895 | 71% | 0.711 | S | S | * | * | trans | -68 | 111.8 | 168 | -82.7 | 149.4 | 0 | 0 | 0 | 108.2 | G2 A6 | G2-L4 PolarHBondContact O-N 3.05Å; L4-A6 PolarHBondContact O-N 3.45Å | ||
| 5 | T | 31 | Very low | 44.1 | Very low | 123 Ų | 123 | 110.1 Ų | 110.1 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | trans | -53 | 115.3 | 166.9 | 42.3 | 0 | 0 | 0 | 0 | 109.8 | G3 S7 | G3-T5 PolarHBondContact O-N 3.38Å; T5-S7 PolarHBondContact O-N 3.33Å | ||
| 6 | A | 32.1 | Very low | 45.7 | Very low | 112 Ų | 112 | 107.1 Ų | 107.1 | 93% | 0.926 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -72.9 | 57.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L4 | L4-A6 PolarHBondContact O-N 3.45Š|
| 7 | S | 35.6 | Very low | 47.2 | Very low | 93 Ų | 93 | 103.4 Ų | 103.4 | 65% | 0.65 | 64% | 0.638 | S | S | * | * | trans | -104.9 | -9.4 | -179.4 | -158.9 | 0 | 0 | 0 | 0 | 115.3 | T5 | T5-S7 PolarHBondContact O-N 3.33Š| ||
| 8 | D | 33.5 | Very low | 48.8 | Very low | 138 Ų | 138 | 105.4 Ų | 105.4 | 74% | 0.738 | 64% | 0.637 | S | S | * | * | trans | -128 | 63.8 | -173.3 | -68.9 | -46.8 | 0 | 0 | 0 | 113.3 | ||||
| 9 | V | 41.6 | Very low | 50.1 | Low | 116 Ų | 116 | 100.2 Ų | 100.2 | 70% | 0.703 | 61% | 0.606 | S | S | * | * | trans | -105.1 | 95.8 | 156.2 | -174.7 | 0 | 0 | 0 | 0 | 107.2 | P11 | V9-P11 WeakPolarHBondContact O-CD 3.35Š| ||
| 10 | H | 40.8 | Very low | 51.2 | Low | 154 Ų | 154 | 96.5 Ų | 96.5 | 71% | 0.713 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 121.6 | 172.5 | -78.3 | -88.9 | 0 | 0 | 0 | 109 | T12 | H10-T12 PolarHBondContact O-N 3.22Š|
| 11 | P | 54.3 | Low | 52.4 | Low | 33 Ų | 33 | 92.4 Ų | 92.4 | 21% | 0.214 | 56% | 0.563 | C | S | . | * | P | Polyproline II helix | trans | -58.9 | 140.1 | 174.7 | -1.7 | 7 | 0 | 0 | 0 | 108.9 | V9 L13 Q16 | V9-P11 WeakPolarHBondContact O-CD 3.35Å; P11-L13 PolarHBondContact O-N 3.46Å; P11-Q16 HydrophobicContact CB-CG 3.75Å; P11-Q16 HydrophobicContact CG-CG 3.82Å |
| 12 | T | 66.4 | Low | 54.6 | Low | 90 Ų | 90 | 83.5 Ų | 83.5 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | P | Polyproline II helix | trans | -50.2 | 135.3 | 177.4 | -21.7 | 0 | 0 | 0 | 0 | 109.4 | H10 G14 I15 Q16 | H10-T12 PolarHBondContact O-N 3.22Å; T12-G14 PolarHBondContact O-N 2.69Å; T12-I15 WeakPolarHBondContact O-CA 3.37Å; T12-I15 WeakPolarHBondContact O-CB 3.29Å; T12-I15 PolarHBondContact O-N 2.97Å; T12-Q16 PolarHBondContact O-N 2.89Å |
| 13 | L | 65.3 | Low | 56.8 | Low | 98 Ų | 98 | 79.9 Ų | 79.9 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -49 | -37.7 | -172.7 | -159.5 | 110.7 | 0 | 0 | 0 | 112.5 | P11 I15 Q16 L17 | P11-L13 PolarHBondContact O-N 3.46Å; L13-I15 PolarHBondContact O-N 3.34Å; L13-Q16 PolarHBondContact O-N 3.43Å; L13-L17 HydrophobicContact CD2-CD1 3.7Å; L13-L17 HydrophobicContact CG-CD1 4.25Å; L13-L17 WeakPolarHBondContact O-CB 3.11Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.26Å |
| 14 | G | 67.9 | Low | 59.1 | Low | 46 Ų | 46 | 76.3 Ų | 76.3 | 47% | 0.474 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T12 L17 F18 | T12-G14 PolarHBondContact O-N 2.69Å; G14-L17 PolarHBondContact O-N 3.01Å; G14-F18 VanDerWaalsContact O-CB 3.24Å; G14-F18 WeakPolarHBondContact O-CB 3.45Å; G14-F18 PolarHBondContact O-N 2.99Å |
| 15 | I | 71.6 | Confident | 61.4 | Low | 74 Ų | 74 | 69.5 Ų | 69.5 | 38% | 0.379 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.3 | -39 | 177 | -61.4 | 175.2 | 0 | 0 | 0 | 110 | T12 L13 S19 L296 | T12-I15 WeakPolarHBondContact O-CA 3.37Å; T12-I15 WeakPolarHBondContact O-CB 3.29Å; T12-I15 PolarHBondContact O-N 2.97Å; L13-I15 PolarHBondContact O-N 3.34Å; I15-S19 VanDerWaalsContact O-CB 3.28Å; I15-S19 WeakPolarHBondContact O-CB 3.33Å; I15-S19 PolarHBondContact O-N 3.24Å; I15-S19 PolarHBondContact O-OG 3.16Å; I15-L296 HydrophobicContact CG2-CD1 3.8Å |
| 16 | Q | 69 | Low | 63.7 | Low | 63 Ų | 63 | 67.7 Ų | 67.7 | 29% | 0.294 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 175.4 | -63.6 | -171.9 | -37.1 | 0 | 0 | 111.4 | P11 T12 L13 S19 A20 | P11-Q16 HydrophobicContact CB-CG 3.75Å; P11-Q16 HydrophobicContact CG-CG 3.82Å; T12-Q16 PolarHBondContact O-N 2.89Å; L13-Q16 PolarHBondContact O-N 3.43Å; Q16-S19 WeakPolarHBondContact CA-OG 3.35Å; Q16-S19 PolarHBondContact O-OG 3.46Å; Q16-A20 WeakPolarHBondContact O-CB 3.26Å; Q16-A20 PolarHBondContact O-N 2.97Å |
| 17 | L | 71.3 | Confident | 65.7 | Low | 44 Ų | 44 | 62.4 Ų | 62.4 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.3 | -40.5 | 178.9 | -71 | 170.8 | 0 | 0 | 0 | 112.3 | L13 G14 G21 I93 | L13-L17 HydrophobicContact CD2-CD1 3.7Å; L13-L17 HydrophobicContact CG-CD1 4.25Å; L13-L17 WeakPolarHBondContact O-CB 3.11Å; L13-L17 VanDerWaalsContact O-CG 3.29Å; L13-L17 WeakPolarHBondContact O-CG 3.48Å; L13-L17 PolarHBondContact O-N 3.26Å; G14-L17 PolarHBondContact O-N 3.01Å; L17-G21 PolarHBondContact O-N 3.01Å; L17-I93 HydrophobicContact CB-CD1 4.25Å; L17-I93 HydrophobicContact CB-CG1 4.04Å; L17-I93 HydrophobicContact CD1-CG1 3.85Å; L17-I93 HydrophobicContact CG-CG1 4.45Å |
| 18 | F | 75.7 | Confident | 67.8 | Low | 140 Ų | 140 | 58.2 Ų | 58.2 | 61% | 0.614 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -68.5 | -45.1 | 178.1 | -171.3 | -105.5 | 0 | 0 | 0 | 112.2 | G14 G21 I22 | G14-F18 VanDerWaalsContact O-CB 3.24Å; G14-F18 WeakPolarHBondContact O-CB 3.45Å; G14-F18 PolarHBondContact O-N 2.99Å; F18-G21 PolarHBondContact O-N 3.26Å; F18-I22 HydrophobicContact CD1-CD1 3.8Å; F18-I22 HydrophobicContact CE1-CD1 3.31Å; F18-I22 HydrophobicContact CE1-CG1 4.34Å; F18-I22 HydrophobicContact CZ-CD1 3.72Å; F18-I22 HydrophobicContact CZ-CG1 4.46Å; F18-I22 PolarHBondContact O-N 3.46Å |
| 19 | S | 73.1 | Confident | 70 | Confident | 6 Ų | 6 | 54.2 Ų | 54.2 | 4% | 0.042 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.1 | -39.1 | 175.7 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | I15 Q16 I22 A23 | I15-S19 VanDerWaalsContact O-CB 3.28Å; I15-S19 WeakPolarHBondContact O-CB 3.33Å; I15-S19 PolarHBondContact O-N 3.24Å; I15-S19 PolarHBondContact O-OG 3.16Å; Q16-S19 WeakPolarHBondContact CA-OG 3.35Å; Q16-S19 PolarHBondContact O-OG 3.46Å; S19-I22 PolarHBondContact O-N 3.27Å; S19-A23 VanDerWaalsContact O-CB 3.28Å; S19-A23 WeakPolarHBondContact O-CB 3.27Å; S19-A23 PolarHBondContact O-N 3.49Å |
| 20 | A | 72.6 | Confident | 71.8 | Confident | 25 Ų | 25 | 53.3 Ų | 53.3 | 21% | 0.207 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64 | -37.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q16 A24 F289 | Q16-A20 WeakPolarHBondContact O-CB 3.26Å; Q16-A20 PolarHBondContact O-N 2.97Å; A20-A24 VanDerWaalsContact O-CB 3.28Å; A20-A24 WeakPolarHBondContact O-CB 3.33Å; A20-A24 PolarHBondContact O-N 3.47Å; A20-F289 HydrophobicContact CB-CD2 4.13Å; A20-F289 HydrophobicContact CB-CE2 4.13Å |
| 21 | G | 76.6 | Confident | 73.3 | Confident | 11 Ų | 11 | 46 Ų | 46 | 11% | 0.113 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L17 F18 A24 C25 | L17-G21 PolarHBondContact O-N 3.01Å; F18-G21 PolarHBondContact O-N 3.26Å; G21-A24 PolarHBondContact O-N 2.76Å; G21-C25 PolarHBondContact O-N 2.89Å; G21-C25 PolarHBondContact O-SG 3.37Å; G21-C25 VanDerWaalsContact O-SG 3.37Å |
| 22 | I | 80 | Confident | 74.4 | Confident | 62 Ų | 62 | 44.5 Ų | 44.5 | 32% | 0.318 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 176.2 | -67.4 | 174.3 | 0 | 0 | 0 | 110.8 | F18 S19 A24 C25 L26 L292 | F18-I22 HydrophobicContact CD1-CD1 3.8Å; F18-I22 HydrophobicContact CE1-CD1 3.31Å; F18-I22 HydrophobicContact CE1-CG1 4.34Å; F18-I22 HydrophobicContact CZ-CD1 3.72Å; F18-I22 HydrophobicContact CZ-CG1 4.46Å; F18-I22 PolarHBondContact O-N 3.46Å; S19-I22 PolarHBondContact O-N 3.27Å; I22-A24 VanDerWaalsContact C-N 3.29Å; I22-A24 PolarHBondContact O-N 3.5Å; I22-C25 PolarHBondContact O-N 2.97Å; I22-L26 HydrophobicContact CG2-CD1 3.74Å; I22-L26 WeakPolarHBondContact O-CD1 3.17Å; I22-L26 PolarHBondContact O-N 2.92Å; I22-L292 HydrophobicContact CB-CD1 4.3Å; I22-L292 HydrophobicContact CG2-CD1 4.02Å |
| 23 | A | 76.6 | Confident | 74.7 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.1 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S19 L26 A27 C288 F289 L292 | S19-A23 VanDerWaalsContact O-CB 3.28Å; S19-A23 WeakPolarHBondContact O-CB 3.27Å; S19-A23 PolarHBondContact O-N 3.49Å; A23-L26 PolarHBondContact O-N 3.37Å; A23-A27 WeakPolarHBondContact O-CB 3.31Å; A23-A27 PolarHBondContact O-N 3.38Å; A23-C288 HydrophobicContact CB-CB 3.81Å; A23-F289 HydrophobicContact CB-CB 4.1Å; A23-L292 HydrophobicContact CB-CD1 4.04Å |
| 24 | A | 74.5 | Confident | 75 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.8 | -38.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A20 G21 I22 A27 D28 Q85 W281 | A20-A24 VanDerWaalsContact O-CB 3.28Å; A20-A24 WeakPolarHBondContact O-CB 3.33Å; A20-A24 PolarHBondContact O-N 3.47Å; G21-A24 PolarHBondContact O-N 2.76Å; I22-A24 VanDerWaalsContact C-N 3.29Å; I22-A24 PolarHBondContact O-N 3.5Å; A24-A27 PolarHBondContact O-N 2.85Å; A24-D28 WeakPolarHBondContact O-CB 3.41Å; A24-D28 PolarHBondContact O-N 2.84Å; A24-Q85 HydrophobicContact CB-CG 4.13Å; A24-W281 HydrophobicContact CB-CZ2 4.44Å |
| 25 | C | 79.6 | Confident | 75.1 | Confident | 28 Ų | 28 | 36.8 Ų | 36.8 | 19% | 0.189 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 173.6 | -73 | 0 | 0 | 0 | 0 | 112.1 | G21 I22 D28 V29 L82 | G21-C25 PolarHBondContact O-N 2.89Å; G21-C25 PolarHBondContact O-SG 3.37Å; G21-C25 VanDerWaalsContact O-SG 3.37Å; I22-C25 PolarHBondContact O-N 2.97Å; C25-D28 PolarHBondContact O-N 3.23Å; C25-V29 WeakPolarHBondContact O-CG2 3.05Å; C25-V29 PolarHBondContact O-N 2.99Å; C25-L82 HydrophobicContact CB-CD2 4Å |
| 26 | L | 79.9 | Confident | 75 | Confident | 86 Ų | 86 | 33.3 Ų | 33.3 | 45% | 0.45 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.9 | -44.2 | 174.2 | -95 | 97.5 | 0 | 0 | 0 | 111.8 | I22 A23 D28 V29 I30 | I22-L26 HydrophobicContact CG2-CD1 3.74Å; I22-L26 WeakPolarHBondContact O-CD1 3.17Å; I22-L26 PolarHBondContact O-N 2.92Å; A23-L26 PolarHBondContact O-N 3.37Å; L26-D28 VanDerWaalsContact C-N 3.3Å; L26-D28 PolarHBondContact O-N 3.46Å; L26-V29 PolarHBondContact O-N 2.92Å; L26-I30 WeakPolarHBondContact O-CG1 3.43Å; L26-I30 PolarHBondContact O-N 3.42Å |
| 27 | A | 74.4 | Confident | 74.9 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | A23 A24 V29 I30 T31 I284 M285 | A23-A27 WeakPolarHBondContact O-CB 3.31Å; A23-A27 PolarHBondContact O-N 3.38Å; A24-A27 PolarHBondContact O-N 2.85Å; A27-V29 PolarHBondContact O-N 3.05Å; A27-I30 PolarHBondContact O-N 3.45Å; A27-T31 WeakPolarHBondContact O-CB 3.29Å; A27-T31 WeakPolarHBondContact O-CG2 3.43Å; A27-T31 PolarHBondContact O-N 2.95Å; A27-T31 PolarHBondContact O-OG1 2.86Å; A27-I284 HydrophobicContact CB-CB 4.28Å; A27-I284 HydrophobicContact CB-CG2 3.86Å; A27-M285 HydrophobicContact CB-CB 4.12Å |
| 28 | D | 78.3 | Confident | 74.8 | Confident | 6 Ų | 6 | 29.3 Ų | 29.3 | 3% | 0.032 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.7 | -40.6 | 175.2 | -86.4 | 9 | 0 | 0 | 0 | 111.7 | A24 C25 L26 F32 R84 W281 | A24-D28 WeakPolarHBondContact O-CB 3.41Å; A24-D28 PolarHBondContact O-N 2.84Å; C25-D28 PolarHBondContact O-N 3.23Å; L26-D28 VanDerWaalsContact C-N 3.3Å; L26-D28 PolarHBondContact O-N 3.46Å; D28-F32 WeakPolarHBondContact O-CA 3.46Å; D28-F32 VanDerWaalsContact O-CB 3.24Å; D28-F32 WeakPolarHBondContact O-CB 3.3Å; D28-F32 PolarHBondContact O-N 3.38Å; D28-R84 IonicContact OD2-NH2 3.59Å; D28-R84 PolarHBondContact OD2-NH2 3.41Å; D28-W281 PolarHBondContact OD1-NE1 2.91Å |
| 29 | V | 81.3 | Confident | 74.3 | Confident | 54 Ų | 54 | 23.4 Ų | 23.4 | 33% | 0.327 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -63.6 | -44.5 | 176.9 | 172 | 0 | 0 | 0 | 0 | 111.2 | C25 L26 A27 Y75 L78 L82 | C25-V29 WeakPolarHBondContact O-CG2 3.05Å; C25-V29 PolarHBondContact O-N 2.99Å; L26-V29 PolarHBondContact O-N 2.92Å; A27-V29 PolarHBondContact O-N 3.05Å; V29-Y75 HydrophobicContact CG1-CE1 4.44Å; V29-Y75 WeakPolarHBondContact O-CE1 3.25Å; V29-L78 HydrophobicContact CG2-CD1 4.02Å; V29-L78 HydrophobicContact CG2-CD2 4.39Å; V29-L82 HydrophobicContact CG2-CD2 4.31Å |
| 30 | I | 78.5 | Confident | 74 | Confident | 97 Ų | 97 | 23.9 Ų | 23.9 | 50% | 0.497 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -71.5 | -37.7 | -177.2 | -63.2 | 165.6 | 0 | 0 | 0 | 111.3 | L26 A27 P33 I284 | L26-I30 WeakPolarHBondContact O-CG1 3.43Å; L26-I30 PolarHBondContact O-N 3.42Å; A27-I30 PolarHBondContact O-N 3.45Å; I30-P33 WeakPolarHBondContact O-CD 3.28Å; I30-I284 HydrophobicContact CB-CD1 4.3Å; I30-I284 HydrophobicContact CB-CG2 4.46Å; I30-I284 HydrophobicContact CD1-CG2 3.82Å; I30-I284 HydrophobicContact CG2-CD1 3.68Å |
| 31 | T | 73.3 | Confident | 73.7 | Confident | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -88.4 | -7.8 | -178.9 | 57 | 0 | 0 | 0 | 0 | 114.2 | A27 P33 L34 D35 W281 I284 | A27-T31 WeakPolarHBondContact O-CB 3.29Å; A27-T31 WeakPolarHBondContact O-CG2 3.43Å; A27-T31 PolarHBondContact O-N 2.95Å; A27-T31 PolarHBondContact O-OG1 2.86Å; T31-P33 VanDerWaalsContact C-CD 3.42Å; T31-P33 VanDerWaalsContact C-N 3.33Å; T31-L34 WeakPolarHBondContact O-CB 3.17Å; T31-L34 PolarHBondContact O-N 2.91Å; T31-D35 PolarHBondContact O-N 3.36Å; T31-D35 VanDerWaalsContact O-N 3.14Å; T31-W281 HydrophobicContact CG2-CB 4.2Å; T31-I284 HydrophobicContact CG2-CD1 3.64Å |
| 32 | F | 75.6 | Confident | 73 | Confident | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -52.4 | -40.7 | -179.4 | -148.7 | -92.9 | 0 | 0 | 0 | 114.7 | D28 L34 D35 T36 L74 Y75 L78 Q142 | D28-F32 WeakPolarHBondContact O-CA 3.46Å; D28-F32 VanDerWaalsContact O-CB 3.24Å; D28-F32 WeakPolarHBondContact O-CB 3.3Å; D28-F32 PolarHBondContact O-N 3.38Å; F32-L34 VanDerWaalsContact C-N 3.27Å; F32-L34 PolarHBondContact O-N 2.99Å; F32-D35 WeakPolarHBondContact O-CB 3.19Å; F32-D35 PolarHBondContact O-N 3.21Å; F32-T36 PolarHBondContact O-N 3Å; F32-T36 PolarHBondContact O-OG1 2.87Å; F32-L74 WeakPolarHBondContact CD1-O 3.29Å; F32-L74 WeakPolarHBondContact CE1-O 3.25Å; F32-Y75 HydrophobicContact CB-CD1 4.12Å; F32-Y75 HydrophobicContact CB-CE1 4.2Å; F32-Y75 HydrophobicContact CD1-CD1 4.22Å; F32-Y75 HydrophobicContact CG-CD1 4.4Å; F32-L78 HydrophobicContact CB-CD1 4.22Å; F32-L78 HydrophobicContact CD1-CB 4.32Å; F32-L78 HydrophobicContact CD2-CB 4.31Å; F32-L78 HydrophobicContact CD2-CD1 3.5Å; F32-L78 VanDerWaalsContact CD2-CD1 3.5Å; F32-L78 HydrophobicContact CE1-CB 4.17Å; F32-L78 HydrophobicContact CE2-CB 4.16Å; F32-L78 HydrophobicContact CE2-CD1 4.02Å; F32-L78 HydrophobicContact CG-CB 4.4Å; F32-L78 HydrophobicContact CG-CD1 3.8Å; F32-L78 VanDerWaalsContact CZ-CA 3.44Å; F32-L78 HydrophobicContact CZ-CB 4.11Å; F32-Q142 HydrophobicContact CZ-CG 4.33Å |
| 33 | P | 73.8 | Confident | 72.1 | Confident | 24 Ų | 24 | 23.7 Ų | 23.7 | 16% | 0.156 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.9 | -36.8 | 174.6 | -29.4 | 39.3 | 0 | 0 | 0 | 113.9 | I30 T31 A37 L74 | I30-P33 WeakPolarHBondContact O-CD 3.28Å; T31-P33 VanDerWaalsContact C-CD 3.42Å; T31-P33 VanDerWaalsContact C-N 3.33Å; P33-A37 WeakPolarHBondContact O-CB 3.1Å; P33-A37 PolarHBondContact O-N 2.66Å; P33-L74 HydrophobicContact CB-CD2 3.71Å; P33-L74 HydrophobicContact CG-CD2 4.41Å |
| 34 | L | 71.9 | Confident | 71.2 | Confident | 39 Ų | 39 | 26.5 Ų | 26.5 | 20% | 0.204 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -72.7 | -40 | 178.1 | -65.7 | 168.5 | 0 | 0 | 0 | 111.2 | T31 F32 T36 A37 K38 V58 I62 | T31-L34 WeakPolarHBondContact O-CB 3.17Å; T31-L34 PolarHBondContact O-N 2.91Å; F32-L34 VanDerWaalsContact C-N 3.27Å; F32-L34 PolarHBondContact O-N 2.99Å; L34-T36 VanDerWaalsContact C-N 3.35Å; L34-A37 PolarHBondContact O-N 2.84Å; L34-K38 WeakPolarHBondContact O-CB 3.41Å; L34-K38 PolarHBondContact O-N 2.74Å; L34-V58 HydrophobicContact CD2-CG1 3.68Å; L34-I62 HydrophobicContact CD2-CD1 3.99Å |
| 35 | D | 70 | Confident | 70.1 | Confident | 8 Ų | 8 | 28.2 Ų | 28.2 | 4% | 0.043 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.9 | -50.3 | 172.9 | -90.5 | 15.4 | 0 | 0 | 0 | 110.5 | T31 F32 A37 K38 V39 K138 R277 | T31-D35 PolarHBondContact O-N 3.36Å; T31-D35 VanDerWaalsContact O-N 3.14Å; F32-D35 WeakPolarHBondContact O-CB 3.19Å; F32-D35 PolarHBondContact O-N 3.21Å; D35-A37 PolarHBondContact O-N 3.45Å; D35-K38 PolarHBondContact O-N 3.37Å; D35-V39 WeakPolarHBondContact O-CG2 3.24Å; D35-V39 PolarHBondContact O-N 3.4Å; D35-V39 VanDerWaalsContact O-N 3.1Å; D35-K138 IonicContact OD2-NZ 2.74Å; D35-K138 PolarHBondContact OD2-NZ 2.92Å; D35-R277 WeakPolarHBondContact OD1-CD 3.5Å; D35-R277 WeakPolarHBondContact OD1-CG 3.43Å; D35-R277 IonicContact OD1-CZ 3.69Å; D35-R277 IonicContact OD1-NE 3.82Å; D35-R277 IonicContact OD1-NH1 3.07Å; D35-R277 PolarHBondContact OD1-NH1 3.43Å; D35-R277 IonicContact OD2-NH1 2.78Å |
| 36 | T | 68.8 | Low | 68.7 | Low | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.4 | -44.5 | 178.6 | -60.9 | 0 | 0 | 0 | 0 | 111.3 | F32 L34 K38 V39 R40 L65 L74 | F32-T36 PolarHBondContact O-N 3Å; F32-T36 PolarHBondContact O-OG1 2.87Å; L34-T36 VanDerWaalsContact C-N 3.35Å; T36-K38 PolarHBondContact O-N 2.91Å; T36-V39 PolarHBondContact O-N 3.39Å; T36-R40 WeakPolarHBondContact O-CG 3.37Å; T36-R40 PolarHBondContact O-N 3Å; T36-R40 VanDerWaalsContact O-N 3.07Å; T36-L65 HydrophobicContact CG2-CD2 3.86Å; T36-L74 PolarHBondContact OG1-O 3.38Å |
| 37 | A | 67.3 | Low | 67.1 | Low | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | P33 L34 D35 R40 L41 V58 T61 I62 | P33-A37 WeakPolarHBondContact O-CB 3.1Å; P33-A37 PolarHBondContact O-N 2.66Å; L34-A37 PolarHBondContact O-N 2.84Å; D35-A37 PolarHBondContact O-N 3.45Å; A37-R40 PolarHBondContact O-N 3.02Å; A37-L41 WeakPolarHBondContact O-CG 3.25Å; A37-L41 PolarHBondContact O-N 3.41Å; A37-V58 HydrophobicContact CB-CG1 4.1Å; A37-T61 HydrophobicContact CB-CG2 4.26Å; A37-I62 HydrophobicContact CB-CD1 4.21Å; A37-I62 HydrophobicContact CB-CG1 3.72Å |
| 38 | K | 69.1 | Low | 65.5 | Low | 23 Ų | 23 | 39.2 Ų | 39.2 | 10% | 0.1 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.5 | -50.1 | 176 | 174.7 | -179.8 | 164.6 | 173.3 | 0 | 111.2 | L34 D35 T36 R40 L41 Q42 S274 | L34-K38 WeakPolarHBondContact O-CB 3.41Å; L34-K38 PolarHBondContact O-N 2.74Å; D35-K38 PolarHBondContact O-N 3.37Å; T36-K38 PolarHBondContact O-N 2.91Å; K38-R40 VanDerWaalsContact C-N 3.32Å; K38-R40 PolarHBondContact O-N 3.1Å; K38-L41 PolarHBondContact O-N 2.94Å; K38-Q42 WeakPolarHBondContact O-CG 3.46Å; K38-Q42 PolarHBondContact O-N 2.84Å; K38-S274 WeakPolarHBondContact CE-OG 3.15Å; K38-S274 PolarHBondContact NZ-OG 3.43Å |
| 39 | V | 65.6 | Low | 63.9 | Low | 16 Ų | 16 | 45.2 Ų | 45.2 | 10% | 0.097 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.5 | -43.3 | -179.6 | 172.8 | 0 | 0 | 0 | 0 | 110.6 | D35 T36 L41 Q42 I43 Q142 A143 | D35-V39 WeakPolarHBondContact O-CG2 3.24Å; D35-V39 PolarHBondContact O-N 3.4Å; D35-V39 VanDerWaalsContact O-N 3.1Å; T36-V39 PolarHBondContact O-N 3.39Å; V39-L41 PolarHBondContact O-N 3.32Å; V39-Q42 PolarHBondContact O-N 3.34Å; V39-I43 HydrophobicContact CG1-CD1 3.64Å; V39-I43 WeakPolarHBondContact O-CD1 3.47Å; V39-I43 WeakPolarHBondContact O-CG1 3.49Å; V39-I43 PolarHBondContact O-N 3.15Å; V39-I43 VanDerWaalsContact O-N 3.11Å; V39-Q142 HydrophobicContact CB-CB 4.25Å; V39-Q142 HydrophobicContact CG1-CB 4.03Å; V39-Q142 HydrophobicContact CG2-CB 4.32Å; V39-A143 HydrophobicContact CG1-CB 4.25Å |
| 40 | R | 67.3 | Low | 61.8 | Low | 16 Ų | 16 | 48.5 Ų | 48.5 | 6% | 0.06 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -45 | 176.4 | -69.3 | -70.5 | -162.8 | -143 | -0.2 | 113.4 | T36 A37 K38 Q42 I43 Q44 T61 E69 Q142 A143 Q144 S145 | T36-R40 WeakPolarHBondContact O-CG 3.37Å; T36-R40 PolarHBondContact O-N 3Å; T36-R40 VanDerWaalsContact O-N 3.07Å; A37-R40 PolarHBondContact O-N 3.02Å; K38-R40 VanDerWaalsContact C-N 3.32Å; K38-R40 PolarHBondContact O-N 3.1Å; R40-Q42 VanDerWaalsContact C-N 3.34Å; R40-I43 PolarHBondContact O-N 3.43Å; R40-Q44 PolarHBondContact O-N 3Å; R40-Q44 VanDerWaalsContact O-N 3.13Å; R40-T61 HydrophobicContact CB-CG2 4Å; R40-E69 IonicContact CZ-OE2 3.3Å; R40-E69 IonicContact NH2-OE1 2.67Å; R40-E69 IonicContact NH2-OE2 3.39Å; R40-E69 PolarHBondContact NH2-OE2 3.11Å; R40-Q142 PolarHBondContact NH1-O 3.31Å; R40-A143 PolarHBondContact NH1-O 2.88Å; R40-Q144 VanDerWaalsContact CZ-O 3.3Å; R40-Q144 PolarHBondContact NH1-O 3.4Å; R40-Q144 PolarHBondContact NH2-O 2.89Å; R40-S145 VanDerWaalsContact NH1-CA 3.25Å |
| 41 | L | 66.1 | Low | 59.8 | Low | 39 Ų | 39 | 48.1 Ų | 48.1 | 20% | 0.204 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 178.5 | -79.7 | 167.4 | 0 | 0 | 0 | 112 | A37 K38 V39 I43 Q44 V58 T61 | A37-L41 WeakPolarHBondContact O-CG 3.25Å; A37-L41 PolarHBondContact O-N 3.41Å; K38-L41 PolarHBondContact O-N 2.94Å; V39-L41 PolarHBondContact O-N 3.32Å; L41-I43 VanDerWaalsContact C-N 3.3Å; L41-I43 PolarHBondContact O-N 3.36Å; L41-Q44 PolarHBondContact O-N 2.9Å; L41-V58 HydrophobicContact CD1-CG2 4.14Å; L41-T61 WeakPolarHBondContact CD2-OG1 3.41Å; L41-T61 HydrophobicContact CG-CG2 4.42Å; L41-T61 WeakPolarHBondContact CG-OG1 3.33Å |
| 42 | Q | 60.6 | Low | 58.2 | Low | 19 Ų | 19 | 52.3 Ų | 52.3 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.4 | -33.2 | 177.6 | -72.7 | 177.4 | -38.5 | 0 | 0 | 112.2 | K38 V39 R40 | K38-Q42 WeakPolarHBondContact O-CG 3.46Å; K38-Q42 PolarHBondContact O-N 2.84Å; V39-Q42 PolarHBondContact O-N 3.34Å; R40-Q42 VanDerWaalsContact C-N 3.34Å |
| 43 | I | 62.7 | Low | 57 | Low | 35 Ų | 35 | 58.6 Ų | 58.6 | 18% | 0.179 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -79.1 | -24.3 | 179.1 | -64.5 | 166.5 | 0 | 0 | 0 | 112.7 | V39 R40 L41 G45 E46 A143 N242 | V39-I43 HydrophobicContact CG1-CD1 3.64Å; V39-I43 WeakPolarHBondContact O-CD1 3.47Å; V39-I43 WeakPolarHBondContact O-CG1 3.49Å; V39-I43 PolarHBondContact O-N 3.15Å; V39-I43 VanDerWaalsContact O-N 3.11Å; R40-I43 PolarHBondContact O-N 3.43Å; L41-I43 VanDerWaalsContact C-N 3.3Å; L41-I43 PolarHBondContact O-N 3.36Å; I43-G45 PolarHBondContact O-N 2.81Å; I43-E46 WeakPolarHBondContact O-CB 3.38Å; I43-E46 PolarHBondContact O-N 2.85Å; I43-A143 VanDerWaalsContact CD1-CA 3.48Å; I43-A143 HydrophobicContact CD1-CB 3.31Å; I43-N242 HydrophobicContact CG1-CB 4.48Å; I43-N242 WeakPolarHBondContact CG1-ND2 3.27Å; I43-N242 VanDerWaalsContact CG2-ND2 3.33Å; I43-N242 WeakPolarHBondContact CG2-ND2 3.48Å |
| 44 | Q | 56.1 | Low | 56 | Low | 59 Ų | 59 | 62.3 Ų | 62.3 | 28% | 0.276 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -58.9 | -23.4 | -179.1 | -169.6 | -174.4 | -25.9 | 0 | 0 | 113.2 | R40 L41 E46 Y55 | R40-Q44 PolarHBondContact O-N 3Å; R40-Q44 VanDerWaalsContact O-N 3.13Å; L41-Q44 PolarHBondContact O-N 2.9Å; Q44-E46 PolarHBondContact O-N 3.07Å; Q44-Y55 HydrophobicContact CG-CD2 4.37Å |
| 45 | G | 51.8 | Low | 55.1 | Low | 40 Ų | 40 | 61.5 Ų | 61.5 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -71.6 | -8.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | I43 | I43-G45 PolarHBondContact O-N 2.81Š|
| 46 | E | 50.7 | Low | 54.5 | Low | 51 Ų | 51 | 69.3 Ų | 69.3 | 24% | 0.238 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -96.9 | -8 | -170.6 | -62.5 | 178.6 | 172.3 | 0 | 0 | 114.8 | I43 Q44 R239 N242 | I43-E46 WeakPolarHBondContact O-CB 3.38Å; I43-E46 PolarHBondContact O-N 2.85Å; Q44-E46 PolarHBondContact O-N 3.07Å; E46-R239 WeakPolarHBondContact OE1-CA 3.45Å; E46-N242 PolarHBondContact OE2-ND2 3.02Å |
| 47 | R | 45.8 | Very low | 54.3 | Low | 181 Ų | 181 | 71.4 Ų | 71.4 | 68% | 0.683 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -89.8 | 119.4 | 177.8 | -81.5 | -177.8 | 169.1 | 164.8 | -3.5 | 110.8 | T49 | R47-T49 PolarHBondContact O-N 2.74Š|
| 48 | P | 41.4 | Very low | 54.2 | Low | 113 Ų | 113 | 72.6 Ų | 72.6 | 73% | 0.734 | 41% | 0.411 | S | S | * | . | trans | -66.5 | 125.9 | 171.8 | 28.3 | -30.3 | 0 | 0 | 0 | 108.6 | ||||
| 49 | T | 44 | Very low | 54.1 | Low | 131 Ų | 131 | 77.9 Ų | 77.9 | 80% | 0.804 | 44% | 0.44 | S | S | * | . | S | Bend | trans | 33 | 92.1 | 150 | 50.9 | 0 | 0 | 0 | 0 | 116.3 | R47 | R47-T49 PolarHBondContact O-N 2.74Š|
| 50 | S | 38 | Very low | 54.1 | Low | 123 Ų | 123 | 78.4 Ų | 78.4 | 86% | 0.86 | 45% | 0.448 | S | S | * | . | S | Bend | trans | 172.4 | 19.1 | 149.2 | -81.2 | 0 | 0 | 0 | 0 | 115.5 | ||
| 51 | S | 37.1 | Very low | 54.1 | Low | 89 Ų | 89 | 77.6 Ų | 77.6 | 62% | 0.622 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -145.7 | 126.8 | 169.5 | -47.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 52 | A | 39.8 | Very low | 54.2 | Low | 90 Ų | 90 | 77.3 Ų | 77.3 | 74% | 0.744 | 44% | 0.443 | S | S | * | . | trans | -42.7 | 150.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R54 | A52-R54 WeakPolarHBondContact O-CA 3.29Å; A52-R54 PolarHBondContact O-N 2.89Å | ||
| 53 | I | 49.3 | Very low | 54.6 | Low | 133 Ų | 133 | 80 Ų | 80 | 68% | 0.682 | 46% | 0.461 | S | S | * | . | trans | -39.2 | 101 | 176.6 | -60.7 | 167.2 | 0 | 0 | 0 | 109.5 | K56 | I53-K56 HydrophobicContact CG2-CG 4.38Š| ||
| 54 | R | 51.9 | Low | 54.8 | Low | 102 Ų | 102 | 80.5 Ų | 80.5 | 39% | 0.385 | 47% | 0.466 | S | S | . | . | trans | -85.5 | -29.3 | -161.9 | -164.8 | 172.3 | -168.8 | 126.7 | 22.7 | 113.1 | A52 L147 | A52-R54 WeakPolarHBondContact O-CA 3.29Å; A52-R54 PolarHBondContact O-N 2.89Å; R54-L147 VanDerWaalsContact NH1-CD2 3.3Å | ||
| 55 | Y | 54.2 | Low | 55.4 | Low | 22 Ų | 22 | 77.7 Ų | 77.7 | 9% | 0.086 | 45% | 0.453 | C | S | . | . | trans | -123.3 | 125.4 | 172.8 | -52.1 | -68.5 | 0 | 0 | 0 | 110.5 | Q44 T61 T64 | Q44-Y55 HydrophobicContact CG-CD2 4.37Å; Y55-T61 WeakPolarHBondContact CB-OG1 3.4Å; Y55-T61 HydrophobicContact CD1-CG2 3.78Å; Y55-T61 HydrophobicContact CD2-CG2 4.43Å; Y55-T61 HydrophobicContact CE1-CG2 4.17Å; Y55-T61 HydrophobicContact CG-CG2 3.91Å; Y55-T64 HydrophobicContact CD1-CG2 4.33Å; Y55-T64 HydrophobicContact CE1-CG2 3.9Å | ||
| 56 | K | 56.3 | Low | 56.5 | Low | 172 Ų | 172 | 78.3 Ų | 78.3 | 75% | 0.748 | 45% | 0.448 | S | S | * | . | trans | -104.3 | 97.4 | 173.9 | -70.6 | -175 | 178.2 | -178.7 | 0 | 108.7 | I53 G60 | I53-K56 HydrophobicContact CG2-CG 4.38Å; K56-G60 WeakPolarHBondContact O-CA 3.46Å | ||
| 57 | G | 64.4 | Low | 57.4 | Low | 46 Ų | 46 | 84.1 Ų | 84.1 | 47% | 0.474 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | 68.4 | 178.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T61 | G57-T61 PolarHBondContact O-N 3.23Å; G57-T61 VanDerWaalsContact O-N 3.11Å; G57-T61 PolarHBondContact O-OG1 2.66Å |
| 58 | V | 65.4 | Low | 58.4 | Low | 24 Ų | 24 | 79.3 Ų | 79.3 | 15% | 0.145 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.6 | -48.2 | -174 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | L34 A37 L41 T61 I62 P273 | L34-V58 HydrophobicContact CD2-CG1 3.68Å; A37-V58 HydrophobicContact CB-CG1 4.1Å; L41-V58 HydrophobicContact CD1-CG2 4.14Å; V58-T61 WeakPolarHBondContact O-CB 3.28Å; V58-T61 PolarHBondContact O-N 3.04Å; V58-I62 HydrophobicContact CG1-CD1 4.01Å; V58-I62 WeakPolarHBondContact O-CG1 3.5Å; V58-I62 PolarHBondContact O-N 3.36Å; V58-P273 HydrophobicContact CG2-CB 3.68Å; V58-P273 HydrophobicContact CG2-CG 3.63Å |
| 59 | L | 68.8 | Low | 59.6 | Low | 135 Ų | 135 | 75.3 Ų | 75.3 | 71% | 0.707 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -67.1 | -42.3 | -177.7 | -64.6 | 175.1 | 0 | 0 | 0 | 112.3 | T61 I62 T63 | L59-T61 VanDerWaalsContact C-N 3.27Å; L59-T61 PolarHBondContact O-N 3.44Å; L59-I62 PolarHBondContact O-N 3.18Å; L59-T63 PolarHBondContact O-N 3.46Å; L59-T63 PolarHBondContact O-OG1 2.72Å; L59-T63 VanDerWaalsContact O-OG1 3.04Å |
| 60 | G | 65.1 | Low | 60.7 | Low | 26 Ų | 26 | 70.4 Ų | 70.4 | 27% | 0.268 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.1 | -34.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | K56 T64 | K56-G60 WeakPolarHBondContact O-CA 3.46Å; G60-T64 VanDerWaalsContact O-CB 3.3Å; G60-T64 WeakPolarHBondContact O-CB 3.47Å; G60-T64 PolarHBondContact O-N 2.94Å; G60-T64 PolarHBondContact O-OG1 3.34Å |
| 61 | T | 66.9 | Low | 62.2 | Low | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.9 | -48.4 | 173.1 | -48.9 | 0 | 0 | 0 | 0 | 111.1 | A37 R40 L41 Y55 G57 V58 L59 T64 L65 | A37-T61 HydrophobicContact CB-CG2 4.26Å; R40-T61 HydrophobicContact CB-CG2 4Å; L41-T61 WeakPolarHBondContact CD2-OG1 3.41Å; L41-T61 HydrophobicContact CG-CG2 4.42Å; L41-T61 WeakPolarHBondContact CG-OG1 3.33Å; Y55-T61 WeakPolarHBondContact CB-OG1 3.4Å; Y55-T61 HydrophobicContact CD1-CG2 3.78Å; Y55-T61 HydrophobicContact CD2-CG2 4.43Å; Y55-T61 HydrophobicContact CE1-CG2 4.17Å; Y55-T61 HydrophobicContact CG-CG2 3.91Å; G57-T61 PolarHBondContact O-N 3.23Å; G57-T61 VanDerWaalsContact O-N 3.11Å; G57-T61 PolarHBondContact O-OG1 2.66Å; V58-T61 WeakPolarHBondContact O-CB 3.28Å; V58-T61 PolarHBondContact O-N 3.04Å; L59-T61 VanDerWaalsContact C-N 3.27Å; L59-T61 PolarHBondContact O-N 3.44Å; T61-T64 PolarHBondContact O-N 2.87Å; T61-L65 VanDerWaalsContact O-CB 3.22Å; T61-L65 WeakPolarHBondContact O-CB 3.41Å; T61-L65 PolarHBondContact O-N 3.24Å |
| 62 | I | 67.1 | Low | 63.6 | Low | 33 Ų | 33 | 75 Ų | 75 | 17% | 0.169 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.6 | -48.9 | -179.9 | -68 | 168.1 | 0 | 0 | 0 | 110.7 | L34 A37 V58 L59 T64 L65 V66 L74 | L34-I62 HydrophobicContact CD2-CD1 3.99Å; A37-I62 HydrophobicContact CB-CD1 4.21Å; A37-I62 HydrophobicContact CB-CG1 3.72Å; V58-I62 HydrophobicContact CG1-CD1 4.01Å; V58-I62 WeakPolarHBondContact O-CG1 3.5Å; V58-I62 PolarHBondContact O-N 3.36Å; L59-I62 PolarHBondContact O-N 3.18Å; I62-T64 VanDerWaalsContact C-N 3.33Å; I62-T64 PolarHBondContact O-N 3.43Å; I62-L65 PolarHBondContact O-N 3Å; I62-V66 HydrophobicContact CG2-CG2 4.43Å; I62-V66 WeakPolarHBondContact O-CG2 3.21Å; I62-V66 PolarHBondContact O-N 3.39Å; I62-L74 HydrophobicContact CG2-CD2 4.14Å |
| 63 | T | 69.9 | Low | 64.9 | Low | 74 Ų | 74 | 75.1 Ų | 75.1 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | -180 | -52 | 0 | 0 | 0 | 0 | 111.8 | L59 K67 | L59-T63 PolarHBondContact O-N 3.46Å; L59-T63 PolarHBondContact O-OG1 2.72Å; L59-T63 VanDerWaalsContact O-OG1 3.04Å; T63-K67 HydrophobicContact CG2-CD 4.3Å; T63-K67 WeakPolarHBondContact O-CB 3.29Å; T63-K67 WeakPolarHBondContact O-CG 3.23Å; T63-K67 PolarHBondContact O-N 2.61Å; T63-K67 VanDerWaalsContact O-N 3.12Å |
| 64 | T | 67.9 | Low | 65.7 | Low | 47 Ų | 47 | 69.2 Ų | 69.2 | 29% | 0.288 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 176.2 | -55 | 0 | 0 | 0 | 0 | 110.2 | Y55 G60 T61 I62 V66 K67 T68 | Y55-T64 HydrophobicContact CD1-CG2 4.33Å; Y55-T64 HydrophobicContact CE1-CG2 3.9Å; G60-T64 VanDerWaalsContact O-CB 3.3Å; G60-T64 WeakPolarHBondContact O-CB 3.47Å; G60-T64 PolarHBondContact O-N 2.94Å; G60-T64 PolarHBondContact O-OG1 3.34Å; T61-T64 PolarHBondContact O-N 2.87Å; I62-T64 VanDerWaalsContact C-N 3.33Å; I62-T64 PolarHBondContact O-N 3.43Å; T64-V66 PolarHBondContact O-N 3.31Å; T64-K67 PolarHBondContact O-N 3.06Å; T64-T68 HydrophobicContact CG2-CG2 4.1Å; T64-T68 WeakPolarHBondContact O-CB 3.5Å; T64-T68 WeakPolarHBondContact O-CG2 3.33Å; T64-T68 PolarHBondContact O-N 2.82Å; T64-T68 PolarHBondContact O-OG1 2.9Å |
| 65 | L | 68.6 | Low | 66.6 | Low | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | -178.9 | -164.8 | 70.8 | 0 | 0 | 0 | 112.4 | T36 T61 I62 K67 T68 E69 G70 L74 | T36-L65 HydrophobicContact CG2-CD2 3.86Å; T61-L65 VanDerWaalsContact O-CB 3.22Å; T61-L65 WeakPolarHBondContact O-CB 3.41Å; T61-L65 PolarHBondContact O-N 3.24Å; I62-L65 PolarHBondContact O-N 3Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 3.08Å; L65-T68 PolarHBondContact O-N 3.2Å; L65-E69 HydrophobicContact CD1-CB 4.16Å; L65-E69 VanDerWaalsContact CD1-CD 3.5Å; L65-E69 HydrophobicContact CD1-CG 3.98Å; L65-E69 VanDerWaalsContact CD1-OE2 3.3Å; L65-E69 WeakPolarHBondContact CD1-OE2 3.43Å; L65-E69 WeakPolarHBondContact O-CA 3.05Å; L65-E69 PolarHBondContact O-N 2.91Å; L65-G70 PolarHBondContact O-N 2.99Å; L65-L74 HydrophobicContact CD2-CD2 4.28Å; L65-L74 HydrophobicContact CD2-CG 3.87Å |
| 66 | V | 73.9 | Confident | 67.1 | Low | 52 Ų | 52 | 69.6 Ų | 69.6 | 32% | 0.315 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.6 | -42.9 | 174.9 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | I62 T64 G70 Q71 L74 | I62-V66 HydrophobicContact CG2-CG2 4.43Å; I62-V66 WeakPolarHBondContact O-CG2 3.21Å; I62-V66 PolarHBondContact O-N 3.39Å; T64-V66 PolarHBondContact O-N 3.31Å; V66-G70 WeakPolarHBondContact O-CA 3.37Å; V66-G70 PolarHBondContact O-N 3.5Å; V66-Q71 HydrophobicContact CG1-CG 3.86Å; V66-L74 HydrophobicContact CG2-CD1 3.58Å; V66-L74 HydrophobicContact CG2-CD2 4.43Å |
| 67 | K | 70.2 | Confident | 67.7 | Low | 174 Ų | 174 | 61.6 Ų | 61.6 | 76% | 0.757 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -74.1 | -32 | -178.7 | -72.9 | -177.4 | 178 | -174.3 | 0 | 113.7 | T63 T64 L65 | T63-K67 HydrophobicContact CG2-CD 4.3Å; T63-K67 WeakPolarHBondContact O-CB 3.29Å; T63-K67 WeakPolarHBondContact O-CG 3.23Å; T63-K67 PolarHBondContact O-N 2.61Å; T63-K67 VanDerWaalsContact O-N 3.12Å; T64-K67 PolarHBondContact O-N 3.06Å; L65-K67 VanDerWaalsContact C-N 3.31Å; L65-K67 PolarHBondContact O-N 3.08Å |
| 68 | T | 67.4 | Low | 68.3 | Low | 80 Ų | 80 | 60.9 Ų | 60.9 | 49% | 0.491 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -101.2 | -34.5 | -174.3 | 60.1 | 0 | 0 | 0 | 0 | 114.6 | T64 L65 | T64-T68 HydrophobicContact CG2-CG2 4.1Å; T64-T68 WeakPolarHBondContact O-CB 3.5Å; T64-T68 WeakPolarHBondContact O-CG2 3.33Å; T64-T68 PolarHBondContact O-N 2.82Å; T64-T68 PolarHBondContact O-OG1 2.9Å; L65-T68 PolarHBondContact O-N 3.2Å |
| 69 | E | 66.3 | Low | 68.9 | Low | 28 Ų | 28 | 63.5 Ų | 63.5 | 13% | 0.131 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -114.4 | -14.2 | -174.1 | -60.9 | -169 | 179.2 | 0 | 0 | 113.2 | R40 L65 K73 S145 H146 | R40-E69 IonicContact CZ-OE2 3.3Å; R40-E69 IonicContact NH2-OE1 2.67Å; R40-E69 IonicContact NH2-OE2 3.39Å; R40-E69 PolarHBondContact NH2-OE2 3.11Å; L65-E69 HydrophobicContact CD1-CB 4.16Å; L65-E69 VanDerWaalsContact CD1-CD 3.5Å; L65-E69 HydrophobicContact CD1-CG 3.98Å; L65-E69 VanDerWaalsContact CD1-OE2 3.3Å; L65-E69 WeakPolarHBondContact CD1-OE2 3.43Å; L65-E69 WeakPolarHBondContact O-CA 3.05Å; L65-E69 PolarHBondContact O-N 2.91Å; E69-K73 HydrophobicContact CB-CB 4.22Å; E69-K73 HydrophobicContact CB-CG 4.42Å; E69-K73 WeakPolarHBondContact O-CG 2.96Å; E69-S145 PolarHBondContact OE1-OG 2.94Å; E69-H146 PolarHBondContact OE1-N 3.2Å |
| 70 | G | 66 | Low | 69.1 | Low | 29 Ų | 29 | 57 Ų | 57 | 30% | 0.299 | 31% | 0.308 | S | S | . | . | trans | 88.5 | 154.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | L65 V66 M72 K73 | L65-G70 PolarHBondContact O-N 2.99Å; V66-G70 WeakPolarHBondContact O-CA 3.37Å; V66-G70 PolarHBondContact O-N 3.5Å; G70-M72 VanDerWaalsContact C-N 3.34Å; G70-M72 PolarHBondContact O-N 3.37Å; G70-K73 PolarHBondContact O-N 3.3Å; G70-K73 VanDerWaalsContact O-N 3.15Å | ||
| 71 | Q | 69.4 | Low | 69.5 | Low | 145 Ų | 145 | 55.9 Ų | 55.9 | 68% | 0.678 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -60.6 | -36.9 | -171.8 | -67.1 | 176.8 | -16.1 | 0 | 0 | 113.8 | V66 K73 L74 | V66-Q71 HydrophobicContact CG1-CG 3.86Å; Q71-K73 PolarHBondContact O-N 3.03Å; Q71-L74 WeakPolarHBondContact O-CD1 3.28Å; Q71-L74 PolarHBondContact O-N 3.37Å |
| 72 | M | 66.2 | Low | 70.1 | Confident | 163 Ų | 163 | 58.1 Ų | 58.1 | 80% | 0.803 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -67.7 | -21.1 | -179.4 | -66.5 | -61.7 | -84.6 | 0 | 0 | 113.3 | G70 L74 Y75 | G70-M72 VanDerWaalsContact C-N 3.34Å; G70-M72 PolarHBondContact O-N 3.37Å; M72-L74 VanDerWaalsContact C-N 3.34Å; M72-Y75 PolarHBondContact O-N 3.18Å |
| 73 | K | 68.1 | Low | 70.7 | Confident | 93 Ų | 93 | 60.3 Ų | 60.3 | 40% | 0.404 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -79.2 | -17.1 | 179.4 | -65.4 | -59.8 | -172.4 | -177.6 | 0 | 113.1 | E69 G70 Q71 Y75 S76 | E69-K73 HydrophobicContact CB-CB 4.22Å; E69-K73 HydrophobicContact CB-CG 4.42Å; E69-K73 WeakPolarHBondContact O-CG 2.96Å; G70-K73 PolarHBondContact O-N 3.3Å; G70-K73 VanDerWaalsContact O-N 3.15Å; Q71-K73 PolarHBondContact O-N 3.03Å; K73-Y75 PolarHBondContact O-N 3.07Å; K73-S76 WeakPolarHBondContact O-CB 3.3Å; K73-S76 PolarHBondContact O-N 3.37Å |
| 74 | L | 66.3 | Low | 71 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.047 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -60.6 | -31 | 170.1 | -75.6 | 100.7 | 0 | 0 | 0 | 111.8 | F32 P33 T36 I62 L65 V66 Q71 M72 S76 | F32-L74 WeakPolarHBondContact CD1-O 3.29Å; F32-L74 WeakPolarHBondContact CE1-O 3.25Å; P33-L74 HydrophobicContact CB-CD2 3.71Å; P33-L74 HydrophobicContact CG-CD2 4.41Å; T36-L74 PolarHBondContact OG1-O 3.38Å; I62-L74 HydrophobicContact CG2-CD2 4.14Å; L65-L74 HydrophobicContact CD2-CD2 4.28Å; L65-L74 HydrophobicContact CD2-CG 3.87Å; V66-L74 HydrophobicContact CG2-CD1 3.58Å; V66-L74 HydrophobicContact CG2-CD2 4.43Å; Q71-L74 WeakPolarHBondContact O-CD1 3.28Å; Q71-L74 PolarHBondContact O-N 3.37Å; M72-L74 VanDerWaalsContact C-N 3.34Å; L74-S76 VanDerWaalsContact C-N 3.35Å |
| 75 | Y | 69.6 | Low | 71.3 | Confident | 91 Ų | 91 | 58.3 Ų | 58.3 | 36% | 0.357 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -91.8 | 10.7 | 178 | -61.9 | -80.5 | 0 | 0 | 0 | 113.7 | V29 F32 M72 K73 G77 L78 | V29-Y75 HydrophobicContact CG1-CE1 4.44Å; V29-Y75 WeakPolarHBondContact O-CE1 3.25Å; F32-Y75 HydrophobicContact CB-CD1 4.12Å; F32-Y75 HydrophobicContact CB-CE1 4.2Å; F32-Y75 HydrophobicContact CD1-CD1 4.22Å; F32-Y75 HydrophobicContact CG-CD1 4.4Å; M72-Y75 PolarHBondContact O-N 3.18Å; K73-Y75 PolarHBondContact O-N 3.07Å; Y75-G77 PolarHBondContact O-N 3.16Å; Y75-G77 VanDerWaalsContact O-N 3.07Å; Y75-L78 HydrophobicContact CD1-CB 4.49Å; Y75-L78 HydrophobicContact CD1-CD2 3.9Å; Y75-L78 VanDerWaalsContact O-CB 3.23Å; Y75-L78 WeakPolarHBondContact O-CB 3.41Å; Y75-L78 PolarHBondContact O-N 3.28Å |
| 76 | S | 65.9 | Low | 71.7 | Confident | 40 Ų | 40 | 63 Ų | 63 | 28% | 0.28 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 110.5 | 173.7 | -175 | 0 | 0 | 0 | 0 | 109.8 | K73 L74 | K73-S76 WeakPolarHBondContact O-CB 3.3Å; K73-S76 PolarHBondContact O-N 3.37Å; L74-S76 VanDerWaalsContact C-N 3.35Å |
| 77 | G | 68.9 | Low | 71.8 | Confident | 5 Ų | 5 | 63 Ų | 63 | 5% | 0.052 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 103 | -3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y75 P79 A80 G81 | Y75-G77 PolarHBondContact O-N 3.16Å; Y75-G77 VanDerWaalsContact O-N 3.07Å; G77-P79 VanDerWaalsContact C-CD 3.5Å; G77-P79 VanDerWaalsContact C-N 3.34Å; G77-A80 WeakPolarHBondContact O-CB 3.46Å; G77-A80 PolarHBondContact O-N 2.97Å; G77-A80 VanDerWaalsContact O-N 3.09Å; G77-G81 PolarHBondContact O-N 3.47Å |
| 78 | L | 76.6 | Confident | 71.6 | Confident | 31 Ų | 31 | 57.5 Ų | 57.5 | 16% | 0.162 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.1 | -43.8 | 175.1 | -180 | 72.3 | 0 | 0 | 0 | 112.1 | V29 F32 Y75 A80 G81 L82 | V29-L78 HydrophobicContact CG2-CD1 4.02Å; V29-L78 HydrophobicContact CG2-CD2 4.39Å; F32-L78 HydrophobicContact CB-CD1 4.22Å; F32-L78 HydrophobicContact CD1-CB 4.32Å; F32-L78 HydrophobicContact CD2-CB 4.31Å; F32-L78 HydrophobicContact CD2-CD1 3.5Å; F32-L78 VanDerWaalsContact CD2-CD1 3.5Å; F32-L78 HydrophobicContact CE1-CB 4.17Å; F32-L78 HydrophobicContact CE2-CB 4.16Å; F32-L78 HydrophobicContact CE2-CD1 4.02Å; F32-L78 HydrophobicContact CG-CB 4.4Å; F32-L78 HydrophobicContact CG-CD1 3.8Å; F32-L78 VanDerWaalsContact CZ-CA 3.44Å; F32-L78 HydrophobicContact CZ-CB 4.11Å; Y75-L78 HydrophobicContact CD1-CB 4.49Å; Y75-L78 HydrophobicContact CD1-CD2 3.9Å; Y75-L78 VanDerWaalsContact O-CB 3.23Å; Y75-L78 WeakPolarHBondContact O-CB 3.41Å; Y75-L78 PolarHBondContact O-N 3.28Å; L78-A80 VanDerWaalsContact C-N 3.28Å; L78-A80 PolarHBondContact O-N 3.38Å; L78-G81 WeakPolarHBondContact O-CA 3.45Å; L78-G81 PolarHBondContact O-N 3Å; L78-L82 HydrophobicContact CD1-CD1 4.45Å; L78-L82 HydrophobicContact CD1-CG 4.26Å; L78-L82 HydrophobicContact CD2-CD1 4.45Å; L78-L82 HydrophobicContact CG-CD1 4.07Å; L78-L82 HydrophobicContact CG-CG 4.28Å; L78-L82 WeakPolarHBondContact O-CG 3.29Å; L78-L82 PolarHBondContact O-N 3.5Å |
| 79 | P | 77.5 | Confident | 71.8 | Confident | 78 Ų | 78 | 55.2 Ų | 55.2 | 51% | 0.506 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.2 | -35.9 | 177 | -23.6 | 34.7 | 0 | 0 | 0 | 113.1 | G77 Q83 | G77-P79 VanDerWaalsContact C-CD 3.5Å; G77-P79 VanDerWaalsContact C-N 3.34Å; P79-Q83 VanDerWaalsContact O-CB 3.23Å; P79-Q83 WeakPolarHBondContact O-CB 3.19Å; P79-Q83 PolarHBondContact O-N 3.47Å |
| 80 | A | 73.4 | Confident | 72 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.2 | -38.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | G77 L78 R84 T134 V137 K138 L141 T157 | G77-A80 WeakPolarHBondContact O-CB 3.46Å; G77-A80 PolarHBondContact O-N 2.97Å; G77-A80 VanDerWaalsContact O-N 3.09Å; L78-A80 VanDerWaalsContact C-N 3.28Å; L78-A80 PolarHBondContact O-N 3.38Å; A80-R84 WeakPolarHBondContact O-CB 3.35Å; A80-R84 PolarHBondContact O-N 3Å; A80-T134 WeakPolarHBondContact O-CG2 3.48Å; A80-V137 HydrophobicContact CB-CG1 4.34Å; A80-K138 HydrophobicContact CB-CB 4.01Å; A80-L141 HydrophobicContact CB-CD1 4.44Å; A80-T157 HydrophobicContact CB-CG2 3.82Å |
| 81 | G | 73.5 | Confident | 72.2 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G77 L78 R84 Q85 | G77-G81 PolarHBondContact O-N 3.47Å; L78-G81 WeakPolarHBondContact O-CA 3.45Å; L78-G81 PolarHBondContact O-N 3Å; G81-R84 WeakPolarHBondContact O-CB 3.37Å; G81-R84 PolarHBondContact O-N 3.08Å; G81-Q85 PolarHBondContact O-N 2.95Å |
| 82 | L | 79.2 | Confident | 71.9 | Confident | 47 Ų | 47 | 59.1 Ų | 59.1 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65 | -43.6 | 176.2 | -68.9 | 175.7 | 0 | 0 | 0 | 111.6 | C25 V29 L78 R84 Q85 I86 | C25-L82 HydrophobicContact CB-CD2 4Å; V29-L82 HydrophobicContact CG2-CD2 4.31Å; L78-L82 HydrophobicContact CD1-CD1 4.45Å; L78-L82 HydrophobicContact CD1-CG 4.26Å; L78-L82 HydrophobicContact CD2-CD1 4.45Å; L78-L82 HydrophobicContact CG-CD1 4.07Å; L78-L82 HydrophobicContact CG-CG 4.28Å; L78-L82 WeakPolarHBondContact O-CG 3.29Å; L78-L82 PolarHBondContact O-N 3.5Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 PolarHBondContact O-N 3.16Å; L82-Q85 PolarHBondContact O-N 3.04Å; L82-Q85 VanDerWaalsContact O-N 3.11Å; L82-I86 VanDerWaalsContact O-CG1 3.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.38Å; L82-I86 PolarHBondContact O-N 2.91Å |
| 83 | Q | 79.9 | Confident | 72.1 | Confident | 80 Ų | 80 | 55 Ų | 55 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.8 | -44.4 | 174.9 | -178.6 | 178.9 | -9.6 | 0 | 0 | 111.2 | P79 Q85 I86 S87 T134 | P79-Q83 VanDerWaalsContact O-CB 3.23Å; P79-Q83 WeakPolarHBondContact O-CB 3.19Å; P79-Q83 PolarHBondContact O-N 3.47Å; Q83-Q85 PolarHBondContact O-N 2.93Å; Q83-I86 PolarHBondContact O-N 3.34Å; Q83-S87 WeakPolarHBondContact O-CB 3.49Å; Q83-S87 PolarHBondContact O-N 3.49Å; Q83-S87 PolarHBondContact O-OG 3.43Å; Q83-T134 HydrophobicContact CB-CG2 4.23Å; Q83-T134 HydrophobicContact CG-CG2 4.23Å |
| 84 | R | 76.4 | Confident | 71.9 | Confident | 56 Ų | 56 | 52.7 Ų | 52.7 | 21% | 0.211 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 175.3 | 179.7 | -158.3 | 70.8 | 77.8 | 1.7 | 111.7 | D28 A80 G81 L82 S87 S88 T134 E135 | D28-R84 IonicContact OD2-NH2 3.59Å; D28-R84 PolarHBondContact OD2-NH2 3.41Å; A80-R84 WeakPolarHBondContact O-CB 3.35Å; A80-R84 PolarHBondContact O-N 3Å; G81-R84 WeakPolarHBondContact O-CB 3.37Å; G81-R84 PolarHBondContact O-N 3.08Å; L82-R84 VanDerWaalsContact C-N 3.29Å; L82-R84 PolarHBondContact O-N 3.16Å; R84-S87 PolarHBondContact O-N 3.47Å; R84-S88 VanDerWaalsContact O-CB 3.24Å; R84-S88 WeakPolarHBondContact O-CB 3.3Å; R84-S88 PolarHBondContact O-N 3.06Å; R84-T134 HydrophobicContact CB-CG2 3.74Å; R84-E135 WeakPolarHBondContact CD-OE1 3.4Å; R84-E135 IonicContact NE-OE1 3.38Å |
| 85 | Q | 73.2 | Confident | 71.9 | Confident | 22 Ų | 22 | 55.5 Ų | 55.5 | 10% | 0.103 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.5 | -41.8 | -178.6 | -166.4 | 61.3 | 24.6 | 0 | 0 | 111.4 | A24 G81 L82 Q83 S88 T89 | A24-Q85 HydrophobicContact CB-CG 4.13Å; G81-Q85 PolarHBondContact O-N 2.95Å; L82-Q85 PolarHBondContact O-N 3.04Å; L82-Q85 VanDerWaalsContact O-N 3.11Å; Q83-Q85 PolarHBondContact O-N 2.93Å; Q85-S88 PolarHBondContact O-N 3.21Å; Q85-T89 WeakPolarHBondContact O-CB 3.42Å; Q85-T89 PolarHBondContact O-N 3.43Å; Q85-T89 PolarHBondContact O-OG1 2.98Å |
| 86 | I | 77.6 | Confident | 71.4 | Confident | 99 Ų | 99 | 57.3 Ų | 57.3 | 51% | 0.508 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.7 | -52.3 | 174.5 | -66.2 | 165.5 | 0 | 0 | 0 | 109.9 | L82 Q83 S88 T89 S90 | L82-I86 VanDerWaalsContact O-CG1 3.3Å; L82-I86 WeakPolarHBondContact O-CG1 3.38Å; L82-I86 PolarHBondContact O-N 2.91Å; Q83-I86 PolarHBondContact O-N 3.34Å; I86-S88 VanDerWaalsContact C-N 3.31Å; I86-S88 PolarHBondContact O-N 3.37Å; I86-T89 PolarHBondContact O-N 2.87Å; I86-T89 VanDerWaalsContact O-N 3.12Å; I86-S90 WeakPolarHBondContact O-CB 3.46Å; I86-S90 PolarHBondContact O-N 3.36Å; I86-S90 PolarHBondContact O-OG 3.49Å; I86-S90 VanDerWaalsContact O-OG 3.09Å |
| 87 | S | 75.3 | Confident | 71.3 | Confident | 53 Ų | 53 | 59.2 Ų | 59.2 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.6 | -42 | 178.5 | -62.9 | 0 | 0 | 0 | 0 | 112.3 | Q83 R84 L91 | Q83-S87 WeakPolarHBondContact O-CB 3.49Å; Q83-S87 PolarHBondContact O-N 3.49Å; Q83-S87 PolarHBondContact O-OG 3.43Å; R84-S87 PolarHBondContact O-N 3.47Å; S87-L91 VanDerWaalsContact O-CB 3.26Å; S87-L91 WeakPolarHBondContact O-CB 3.5Å; S87-L91 PolarHBondContact O-N 3.47Å |
| 88 | S | 67.2 | Low | 71.1 | Confident | 58 Ų | 58 | 62.9 Ų | 62.9 | 41% | 0.406 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.3 | -37.6 | 177.5 | -171.6 | 0 | 0 | 0 | 0 | 112.4 | R84 Q85 I86 R92 | R84-S88 VanDerWaalsContact O-CB 3.24Å; R84-S88 WeakPolarHBondContact O-CB 3.3Å; R84-S88 PolarHBondContact O-N 3.06Å; Q85-S88 PolarHBondContact O-N 3.21Å; I86-S88 VanDerWaalsContact C-N 3.31Å; I86-S88 PolarHBondContact O-N 3.37Å; S88-R92 WeakPolarHBondContact O-CB 3.4Å; S88-R92 PolarHBondContact O-N 2.92Å |
| 89 | T | 71 | Confident | 70.4 | Confident | 31 Ų | 31 | 63 Ų | 63 | 19% | 0.19 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -71.5 | -44.5 | 178.8 | -55.4 | 0 | 0 | 0 | 0 | 110.4 | Q85 I86 L91 R92 I93 | Q85-T89 WeakPolarHBondContact O-CB 3.42Å; Q85-T89 PolarHBondContact O-N 3.43Å; Q85-T89 PolarHBondContact O-OG1 2.98Å; I86-T89 PolarHBondContact O-N 2.87Å; I86-T89 VanDerWaalsContact O-N 3.12Å; T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 3.23Å; T89-R92 PolarHBondContact O-N 3.06Å; T89-I93 HydrophobicContact CG2-CD1 3.9Å; T89-I93 WeakPolarHBondContact O-CG1 3.43Å; T89-I93 PolarHBondContact O-N 2.88Å |
| 90 | S | 71.1 | Confident | 69.4 | Low | 72 Ų | 72 | 63.6 Ų | 63.6 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 174.3 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | I86 R92 I93 G94 | I86-S90 WeakPolarHBondContact O-CB 3.46Å; I86-S90 PolarHBondContact O-N 3.36Å; I86-S90 PolarHBondContact O-OG 3.49Å; I86-S90 VanDerWaalsContact O-OG 3.09Å; S90-R92 VanDerWaalsContact C-N 3.34Å; S90-I93 PolarHBondContact O-N 3.38Å; S90-G94 PolarHBondContact O-N 3.41Å |
| 91 | L | 69.9 | Low | 68.9 | Low | 40 Ų | 40 | 70 Ų | 70 | 21% | 0.209 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.1 | -41.4 | 176.6 | -156.1 | 80.4 | 0 | 0 | 0 | 111.1 | S87 T89 L95 A127 I130 | S87-L91 VanDerWaalsContact O-CB 3.26Å; S87-L91 WeakPolarHBondContact O-CB 3.5Å; S87-L91 PolarHBondContact O-N 3.47Å; T89-L91 VanDerWaalsContact C-N 3.34Å; T89-L91 PolarHBondContact O-N 3.23Å; L91-L95 HydrophobicContact CD1-CD1 3.12Å; L91-L95 HydrophobicContact CD2-CD1 4.44Å; L91-L95 HydrophobicContact CG-CD1 3.44Å; L91-L95 VanDerWaalsContact CG-CD1 3.44Å; L91-L95 VanDerWaalsContact O-CB 3.31Å; L91-L95 WeakPolarHBondContact O-CB 3.45Å; L91-L95 PolarHBondContact O-N 3.46Å; L91-A127 HydrophobicContact CD2-CB 3.89Å; L91-I130 HydrophobicContact CD1-CD1 3.72Å; L91-I130 HydrophobicContact CD1-CG2 4.32Å; L91-I130 HydrophobicContact CD2-CD1 4.17Å |
| 92 | R | 64.1 | Low | 68.4 | Low | 172 Ų | 172 | 78.2 Ų | 78.2 | 65% | 0.649 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -67.3 | -38.3 | 176.8 | -174.1 | 177.7 | -89.5 | -177.4 | -8.5 | 111.8 | S88 T89 S90 Y96 | S88-R92 WeakPolarHBondContact O-CB 3.4Å; S88-R92 PolarHBondContact O-N 2.92Å; T89-R92 PolarHBondContact O-N 3.06Å; S90-R92 VanDerWaalsContact C-N 3.34Å; R92-Y96 WeakPolarHBondContact O-CB 3.29Å; R92-Y96 PolarHBondContact O-N 3.41Å |
| 93 | I | 68.6 | Low | 67.3 | Low | 76 Ų | 76 | 79.9 Ų | 79.9 | 39% | 0.39 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.7 | -43.4 | 176.6 | -66.8 | 163.1 | 0 | 0 | 0 | 110.9 | L17 T89 S90 | L17-I93 HydrophobicContact CB-CD1 4.25Å; L17-I93 HydrophobicContact CB-CG1 4.04Å; L17-I93 HydrophobicContact CD1-CG1 3.85Å; L17-I93 HydrophobicContact CG-CG1 4.45Å; T89-I93 HydrophobicContact CG2-CD1 3.9Å; T89-I93 WeakPolarHBondContact O-CG1 3.43Å; T89-I93 PolarHBondContact O-N 2.88Å; S90-I93 PolarHBondContact O-N 3.38Å |
| 94 | G | 65.8 | Low | 65.9 | Low | 46 Ų | 46 | 80.6 Ų | 80.6 | 47% | 0.474 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -84.6 | -36.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S90 T98 | S90-G94 PolarHBondContact O-N 3.41Å; G94-T98 PolarHBondContact O-OG1 3.05Å |
| 95 | L | 65.2 | Low | 64.8 | Low | 67 Ų | 67 | 82.4 Ų | 82.4 | 35% | 0.351 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -96.3 | -18.6 | -178 | -84.6 | 124.1 | 0 | 0 | 0 | 113.8 | L91 D97 T98 V99 | L91-L95 HydrophobicContact CD1-CD1 3.12Å; L91-L95 HydrophobicContact CD2-CD1 4.44Å; L91-L95 HydrophobicContact CG-CD1 3.44Å; L91-L95 VanDerWaalsContact CG-CD1 3.44Å; L91-L95 VanDerWaalsContact O-CB 3.31Å; L91-L95 WeakPolarHBondContact O-CB 3.45Å; L91-L95 PolarHBondContact O-N 3.46Å; L95-D97 PolarHBondContact O-N 2.65Å; L95-T98 PolarHBondContact O-N 3.48Å; L95-V99 HydrophobicContact CB-CG2 4.36Å; L95-V99 HydrophobicContact CD2-CG2 4.29Å; L95-V99 WeakPolarHBondContact O-CB 3.3Å; L95-V99 WeakPolarHBondContact O-CG2 3.26Å; L95-V99 PolarHBondContact O-N 2.88Å |
| 96 | Y | 59.6 | Low | 63.6 | Low | 129 Ų | 129 | 85.8 Ų | 85.8 | 51% | 0.506 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.2 | -45.9 | -177.2 | -176.6 | -100.2 | 0 | 0 | 0 | 111.5 | R92 V99 Q100 | R92-Y96 WeakPolarHBondContact O-CB 3.29Å; R92-Y96 PolarHBondContact O-N 3.41Å; Y96-V99 PolarHBondContact O-N 3.05Å; Y96-Q100 WeakPolarHBondContact O-CB 3.42Å; Y96-Q100 PolarHBondContact O-N 3.27Å |
| 97 | D | 62.7 | Low | 62.1 | Low | 81 Ų | 81 | 87.3 Ų | 87.3 | 43% | 0.433 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67 | -44.6 | 179.2 | -62.2 | -18.7 | 0 | 0 | 0 | 111.2 | L95 V99 Q100 E101 | L95-D97 PolarHBondContact O-N 2.65Å; D97-V99 PolarHBondContact O-N 3.11Å; D97-Q100 PolarHBondContact O-N 3.02Å; D97-E101 WeakPolarHBondContact O-CB 3.43Å; D97-E101 VanDerWaalsContact O-CG 3.32Å; D97-E101 WeakPolarHBondContact O-CG 3.14Å; D97-E101 PolarHBondContact O-N 3.01Å |
| 98 | T | 65.2 | Low | 60.8 | Low | 82 Ų | 82 | 94.5 Ų | 94.5 | 50% | 0.503 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 177.3 | -47.3 | 0 | 0 | 0 | 0 | 112.7 | G94 L95 F102 | G94-T98 PolarHBondContact O-OG1 3.05Å; L95-T98 PolarHBondContact O-N 3.48Å; T98-F102 WeakPolarHBondContact O-CB 3.15Å; T98-F102 PolarHBondContact O-N 2.9Å |
| 99 | V | 62.2 | Low | 59.8 | Low | 33 Ų | 33 | 96.8 Ų | 96.8 | 20% | 0.2 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -72.2 | -41 | 178.1 | 167.3 | 0 | 0 | 0 | 0 | 110.3 | L95 Y96 D97 F102 L103 T123 | L95-V99 HydrophobicContact CB-CG2 4.36Å; L95-V99 HydrophobicContact CD2-CG2 4.29Å; L95-V99 WeakPolarHBondContact O-CB 3.3Å; L95-V99 WeakPolarHBondContact O-CG2 3.26Å; L95-V99 PolarHBondContact O-N 2.88Å; Y96-V99 PolarHBondContact O-N 3.05Å; D97-V99 PolarHBondContact O-N 3.11Å; V99-F102 PolarHBondContact O-N 2.89Å; V99-L103 HydrophobicContact CG1-CD1 3.6Å; V99-L103 HydrophobicContact CG1-CG 4.29Å; V99-L103 VanDerWaalsContact O-CB 3.27Å; V99-L103 WeakPolarHBondContact O-CB 3.43Å; V99-L103 WeakPolarHBondContact O-CD1 3.28Å; V99-L103 WeakPolarHBondContact O-CG 3.11Å; V99-L103 PolarHBondContact O-N 3.42Å; V99-T123 HydrophobicContact CG1-CG2 4.02Å; V99-T123 VanDerWaalsContact CG1-OG1 3.25Å; V99-T123 WeakPolarHBondContact CG1-OG1 3.44Å; V99-T123 HydrophobicContact CG2-CG2 4.4Å |
| 100 | Q | 56.2 | Low | 58.8 | Low | 91 Ų | 91 | 101.5 Ų | 101.5 | 43% | 0.425 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 177.3 | -174.6 | 172.4 | -14 | 0 | 0 | 111.4 | Y96 D97 L103 T104 | Y96-Q100 WeakPolarHBondContact O-CB 3.42Å; Y96-Q100 PolarHBondContact O-N 3.27Å; D97-Q100 PolarHBondContact O-N 3.02Å; Q100-L103 PolarHBondContact O-N 3.45Å; Q100-T104 VanDerWaalsContact O-CB 3.26Å; Q100-T104 WeakPolarHBondContact O-CB 3.43Å; Q100-T104 PolarHBondContact O-N 3Å; Q100-T104 PolarHBondContact O-OG1 3.02Å |
| 101 | E | 64 | Low | 58 | Low | 135 Ų | 135 | 101.6 Ų | 101.6 | 63% | 0.631 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.3 | -46.1 | 172.2 | -77.4 | 177.1 | 177.8 | 0 | 0 | 111.5 | D97 L103 T104 A105 | D97-E101 WeakPolarHBondContact O-CB 3.43Å; D97-E101 VanDerWaalsContact O-CG 3.32Å; D97-E101 WeakPolarHBondContact O-CG 3.14Å; D97-E101 PolarHBondContact O-N 3.01Å; E101-L103 VanDerWaalsContact C-N 3.26Å; E101-L103 PolarHBondContact O-N 2.98Å; E101-T104 PolarHBondContact O-N 2.96Å; E101-A105 WeakPolarHBondContact O-CB 3.47Å; E101-A105 PolarHBondContact O-N 2.69Å |
| 102 | F | 61.9 | Low | 57.6 | Low | 173 Ų | 173 | 102.9 Ų | 102.9 | 76% | 0.759 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.8 | -33.2 | 177.6 | -156.1 | -91.1 | 0 | 0 | 0 | 112.6 | T98 V99 | T98-F102 WeakPolarHBondContact O-CB 3.15Å; T98-F102 PolarHBondContact O-N 2.9Å; V99-F102 PolarHBondContact O-N 2.89Å |
| 103 | L | 55.3 | Low | 57.5 | Low | 82 Ų | 82 | 99.8 Ų | 99.8 | 43% | 0.429 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -77.7 | -35.9 | 177.5 | -72.6 | 168.2 | 0 | 0 | 0 | 112.9 | V99 Q100 E101 A119 | V99-L103 HydrophobicContact CG1-CD1 3.6Å; V99-L103 HydrophobicContact CG1-CG 4.29Å; V99-L103 VanDerWaalsContact O-CB 3.27Å; V99-L103 WeakPolarHBondContact O-CB 3.43Å; V99-L103 WeakPolarHBondContact O-CD1 3.28Å; V99-L103 WeakPolarHBondContact O-CG 3.11Å; V99-L103 PolarHBondContact O-N 3.42Å; Q100-L103 PolarHBondContact O-N 3.45Å; E101-L103 VanDerWaalsContact C-N 3.26Å; E101-L103 PolarHBondContact O-N 2.98Å; L103-A119 HydrophobicContact CD1-CB 3.75Å; L103-A119 HydrophobicContact CD2-CB 3.42Å; L103-A119 VanDerWaalsContact CD2-CB 3.42Å; L103-A119 HydrophobicContact CG-CB 4.25Å |
| 104 | T | 52 | Low | 57.4 | Low | 95 Ų | 95 | 98.2 Ų | 98.2 | 58% | 0.583 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -81.3 | -33.1 | -179.4 | -48.1 | 0 | 0 | 0 | 0 | 111.2 | Q100 E101 S106 K107 | Q100-T104 VanDerWaalsContact O-CB 3.26Å; Q100-T104 WeakPolarHBondContact O-CB 3.43Å; Q100-T104 PolarHBondContact O-N 3Å; Q100-T104 PolarHBondContact O-OG1 3.02Å; E101-T104 PolarHBondContact O-N 2.96Å; T104-S106 PolarHBondContact O-N 2.79Å; T104-S106 VanDerWaalsContact O-N 3.09Å; T104-K107 PolarHBondContact O-N 3.36Å |
| 105 | A | 52.2 | Low | 57.2 | Low | 93 Ų | 93 | 98.2 Ų | 98.2 | 77% | 0.769 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -15.2 | 172 | 0 | 0 | 0 | 0 | 0 | 113.2 | E101 | E101-A105 WeakPolarHBondContact O-CB 3.47Å; E101-A105 PolarHBondContact O-N 2.69Å |
| 106 | S | 47.6 | Very low | 57.1 | Low | 94 Ų | 94 | 101 Ų | 101 | 66% | 0.657 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -17.9 | -176.7 | -147.6 | 0 | 0 | 0 | 0 | 114.8 | T104 | T104-S106 PolarHBondContact O-N 2.79Å; T104-S106 VanDerWaalsContact O-N 3.09Å |
| 107 | K | 46.1 | Very low | 57.5 | Low | 131 Ų | 131 | 97.5 Ų | 97.5 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | trans | -153.7 | 119.1 | 178.6 | -77 | -169.8 | 176.2 | 173.6 | 0 | 115.5 | T104 T109 | T104-K107 PolarHBondContact O-N 3.36Å; K107-T109 PolarHBondContact O-N 2.95Å | ||
| 108 | E | 49.3 | Very low | 57.7 | Low | 204 Ų | 204 | 99 Ų | 99 | 95% | 0.953 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -74.9 | 10.5 | 167.7 | -105.2 | -165.5 | 161.6 | 0 | 0 | 114.9 | ||
| 109 | T | 44.9 | Very low | 57.7 | Low | 106 Ų | 106 | 95.9 Ų | 95.9 | 65% | 0.65 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -140.9 | 129.3 | -175.9 | -36.1 | 0 | 0 | 0 | 0 | 110.8 | K107 | K107-T109 PolarHBondContact O-N 2.95Š|
| 110 | T | 50.3 | Low | 57.8 | Low | 129 Ų | 129 | 96.1 Ų | 96.1 | 79% | 0.791 | 55% | 0.545 | S | S | * | . | trans | -10.2 | 107.5 | 179.5 | 52.4 | 0 | 0 | 0 | 0 | 114.5 | S112 | T110-S112 PolarHBondContact O-N 3.05Å; T110-S112 VanDerWaalsContact O-N 3.11Å | ||
| 111 | P | 55.1 | Low | 58.5 | Low | 74 Ų | 74 | 94.3 Ų | 94.3 | 48% | 0.481 | 54% | 0.538 | S | S | . | . | trans | -62.3 | 118.2 | -176.7 | 20 | -30.2 | 0 | 0 | 0 | 110.5 | K116 | P111-K116 HydrophobicContact CB-CG 4.07Å; P111-K116 VanDerWaalsContact CG-CE 3.44Å; P111-K116 HydrophobicContact CG-CG 4.47Å | ||
| 112 | S | 60.8 | Low | 58.8 | Low | 68 Ų | 68 | 93.9 Ų | 93.9 | 48% | 0.476 | 54% | 0.538 | S | S | . | . | trans | -58.6 | 147.4 | 174 | 85.1 | 0 | 0 | 0 | 0 | 109.8 | T110 G114 S115 K116 | T110-S112 PolarHBondContact O-N 3.05Å; T110-S112 VanDerWaalsContact O-N 3.11Å; S112-G114 PolarHBondContact O-N 3.45Å; S112-G114 VanDerWaalsContact O-N 3.08Å; S112-S115 PolarHBondContact O-N 3.35Å; S112-S115 PolarHBondContact OG-N 3.3Å; S112-S115 PolarHBondContact OG-OG 3.29Å; S112-K116 PolarHBondContact O-N 3.41Å | ||
| 113 | L | 63.4 | Low | 59.2 | Low | 106 Ų | 106 | 88.2 Ų | 88.2 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -51.2 | -36.9 | -178.8 | -150.8 | 113.7 | 0 | 0 | 0 | 111.7 | K116 I117 L192 | L113-K116 PolarHBondContact O-N 3.07Å; L113-I117 HydrophobicContact CD2-CD1 3.95Å; L113-I117 VanDerWaalsContact O-CG1 3.29Å; L113-I117 WeakPolarHBondContact O-CG1 3.47Å; L113-I117 PolarHBondContact O-N 3.27Å; L113-L192 HydrophobicContact CD2-CD2 4.02Å |
| 114 | G | 65.8 | Low | 59.8 | Low | 44 Ų | 44 | 85.1 Ų | 85.1 | 45% | 0.454 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -38.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S112 I117 L118 | S112-G114 PolarHBondContact O-N 3.45Å; S112-G114 VanDerWaalsContact O-N 3.08Å; G114-I117 PolarHBondContact O-N 3.2Å; G114-L118 WeakPolarHBondContact O-CB 3.36Å; G114-L118 PolarHBondContact O-N 3.16Å |
| 115 | S | 62 | Low | 60.8 | Low | 45 Ų | 45 | 81.5 Ų | 81.5 | 32% | 0.315 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.7 | -36.8 | 175.5 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | S112 A119 | S112-S115 PolarHBondContact O-N 3.35Å; S112-S115 PolarHBondContact OG-N 3.3Å; S112-S115 PolarHBondContact OG-OG 3.29Å; S115-A119 VanDerWaalsContact O-CB 3.25Å; S115-A119 WeakPolarHBondContact O-CB 3.33Å; S115-A119 PolarHBondContact O-N 3.43Å |
| 116 | K | 62.3 | Low | 61.9 | Low | 126 Ų | 126 | 80.5 Ų | 80.5 | 55% | 0.548 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 174.4 | -65.2 | -173.3 | -178.8 | -178.2 | 0 | 112.1 | P111 S112 L113 A119 G120 | P111-K116 HydrophobicContact CB-CG 4.07Å; P111-K116 VanDerWaalsContact CG-CE 3.44Å; P111-K116 HydrophobicContact CG-CG 4.47Å; S112-K116 PolarHBondContact O-N 3.41Å; L113-K116 PolarHBondContact O-N 3.07Å; K116-A119 PolarHBondContact O-N 3.34Å; K116-G120 PolarHBondContact O-N 3.21Å |
| 117 | I | 68.3 | Low | 63 | Low | 56 Ų | 56 | 78 Ų | 78 | 29% | 0.287 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.8 | -47.8 | 176.9 | -69.4 | 166.1 | 0 | 0 | 0 | 110.3 | L113 G114 A119 G120 L121 L192 | L113-I117 HydrophobicContact CD2-CD1 3.95Å; L113-I117 VanDerWaalsContact O-CG1 3.29Å; L113-I117 WeakPolarHBondContact O-CG1 3.47Å; L113-I117 PolarHBondContact O-N 3.27Å; G114-I117 PolarHBondContact O-N 3.2Å; I117-A119 VanDerWaalsContact C-N 3.32Å; I117-A119 PolarHBondContact O-N 3.16Å; I117-G120 PolarHBondContact O-N 2.96Å; I117-L121 HydrophobicContact CG2-CD1 3.94Å; I117-L121 HydrophobicContact CG2-CG 4.35Å; I117-L121 WeakPolarHBondContact O-CB 3.32Å; I117-L121 VanDerWaalsContact O-CG 3.28Å; I117-L121 WeakPolarHBondContact O-CG 3.43Å; I117-L121 PolarHBondContact O-N 2.98Å; I117-L192 HydrophobicContact CD1-CD1 4.31Å; I117-L192 HydrophobicContact CD1-CD2 4.49Å; I117-L192 HydrophobicContact CG1-CD1 3.89Å |
| 118 | L | 67 | Low | 64.4 | Low | 113 Ų | 113 | 72.7 Ų | 72.7 | 59% | 0.592 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.5 | -41.3 | -179.8 | -169.9 | 67.3 | 0 | 0 | 0 | 111.7 | G114 L121 M122 | G114-L118 WeakPolarHBondContact O-CB 3.36Å; G114-L118 PolarHBondContact O-N 3.16Å; L118-L121 PolarHBondContact O-N 3.39Å; L118-M122 WeakPolarHBondContact O-CG 3.43Å; L118-M122 PolarHBondContact O-N 2.99Å |
| 119 | A | 64.6 | Low | 65.8 | Low | 15 Ų | 15 | 68.3 Ų | 68.3 | 12% | 0.124 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.4 | -49.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L103 S115 K116 I117 L121 M122 T123 | L103-A119 HydrophobicContact CD1-CB 3.75Å; L103-A119 HydrophobicContact CD2-CB 3.42Å; L103-A119 VanDerWaalsContact CD2-CB 3.42Å; L103-A119 HydrophobicContact CG-CB 4.25Å; S115-A119 VanDerWaalsContact O-CB 3.25Å; S115-A119 WeakPolarHBondContact O-CB 3.33Å; S115-A119 PolarHBondContact O-N 3.43Å; K116-A119 PolarHBondContact O-N 3.34Å; I117-A119 VanDerWaalsContact C-N 3.32Å; I117-A119 PolarHBondContact O-N 3.16Å; A119-L121 VanDerWaalsContact C-N 3.28Å; A119-L121 PolarHBondContact O-N 2.9Å; A119-M122 PolarHBondContact O-N 3.41Å; A119-T123 PolarHBondContact O-N 3.36Å; A119-T123 PolarHBondContact O-OG1 3.43Å |
| 120 | G | 65.8 | Low | 67.4 | Low | 39 Ų | 39 | 67.4 Ų | 67.4 | 40% | 0.402 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.5 | -37.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K116 I117 G124 | K116-G120 PolarHBondContact O-N 3.21Å; I117-G120 PolarHBondContact O-N 2.96Å; G120-G124 WeakPolarHBondContact O-CA 3.33Å; G120-G124 PolarHBondContact O-N 3.32Å |
| 121 | L | 70.3 | Confident | 68.6 | Low | 52 Ų | 52 | 62.2 Ų | 62.2 | 27% | 0.272 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 175.4 | -71.7 | 174.2 | 0 | 0 | 0 | 112.6 | I117 L118 A119 G125 V185 | I117-L121 HydrophobicContact CG2-CD1 3.94Å; I117-L121 HydrophobicContact CG2-CG 4.35Å; I117-L121 WeakPolarHBondContact O-CB 3.32Å; I117-L121 VanDerWaalsContact O-CG 3.28Å; I117-L121 WeakPolarHBondContact O-CG 3.43Å; I117-L121 PolarHBondContact O-N 2.98Å; L118-L121 PolarHBondContact O-N 3.39Å; A119-L121 VanDerWaalsContact C-N 3.28Å; A119-L121 PolarHBondContact O-N 2.9Å; L121-G125 PolarHBondContact O-N 3.49Å; L121-V185 HydrophobicContact CD2-CB 3.98Å; L121-V185 HydrophobicContact CD2-CG1 3.97Å; L121-V185 HydrophobicContact CD2-CG2 3.51Å |
| 122 | M | 70.8 | Confident | 69.8 | Low | 127 Ų | 127 | 58.7 Ų | 58.7 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67.2 | -48.3 | 178 | -72.1 | -63.1 | -69.3 | 0 | 0 | 111.5 | L118 A119 G125 V126 | L118-M122 WeakPolarHBondContact O-CG 3.43Å; L118-M122 PolarHBondContact O-N 2.99Å; A119-M122 PolarHBondContact O-N 3.41Å; M122-G125 PolarHBondContact O-N 3.38Å; M122-V126 WeakPolarHBondContact O-CG2 3.45Å; M122-V126 PolarHBondContact O-N 3Å |
| 123 | T | 68.6 | Low | 70.8 | Confident | 54 Ų | 54 | 56.3 Ų | 56.3 | 33% | 0.331 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 176.6 | -49.7 | 0 | 0 | 0 | 0 | 111.4 | V99 A119 G125 V126 A127 | V99-T123 HydrophobicContact CG1-CG2 4.02Å; V99-T123 VanDerWaalsContact CG1-OG1 3.25Å; V99-T123 WeakPolarHBondContact CG1-OG1 3.44Å; V99-T123 HydrophobicContact CG2-CG2 4.4Å; A119-T123 PolarHBondContact O-N 3.36Å; A119-T123 PolarHBondContact O-OG1 3.43Å; T123-G125 VanDerWaalsContact C-N 3.32Å; T123-G125 PolarHBondContact O-N 3.21Å; T123-V126 PolarHBondContact O-N 3.28Å; T123-A127 WeakPolarHBondContact O-CB 3.28Å; T123-A127 PolarHBondContact O-N 3.05Å |
| 124 | G | 67.9 | Low | 71.6 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 18% | 0.175 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63 | -37.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G120 A127 V128 | G120-G124 WeakPolarHBondContact O-CA 3.33Å; G120-G124 PolarHBondContact O-N 3.32Å; G124-A127 PolarHBondContact O-N 2.92Å; G124-V128 WeakPolarHBondContact O-CB 3.35Å; G124-V128 VanDerWaalsContact O-CG2 3.23Å; G124-V128 WeakPolarHBondContact O-CG2 3.29Å; G124-V128 PolarHBondContact O-N 3.46Å |
| 125 | G | 73.9 | Confident | 72 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | L121 M122 T123 A127 V128 F129 | L121-G125 PolarHBondContact O-N 3.49Å; M122-G125 PolarHBondContact O-N 3.38Å; T123-G125 VanDerWaalsContact C-N 3.32Å; T123-G125 PolarHBondContact O-N 3.21Å; G125-A127 VanDerWaalsContact C-N 3.35Å; G125-V128 PolarHBondContact O-N 2.91Å; G125-F129 WeakPolarHBondContact O-CB 3.41Å; G125-F129 PolarHBondContact O-N 3.43Å |
| 126 | V | 75.1 | Confident | 72.7 | Confident | 72 Ų | 72 | 49.5 Ų | 49.5 | 44% | 0.436 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | 175.5 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | M122 T123 V128 F129 I130 | M122-V126 WeakPolarHBondContact O-CG2 3.45Å; M122-V126 PolarHBondContact O-N 3Å; T123-V126 PolarHBondContact O-N 3.28Å; V126-V128 PolarHBondContact O-N 3.08Å; V126-F129 PolarHBondContact O-N 2.98Å; V126-I130 HydrophobicContact CG1-CD1 3.85Å; V126-I130 WeakPolarHBondContact O-CG1 3.33Å; V126-I130 PolarHBondContact O-N 3.16Å |
| 127 | A | 70.8 | Confident | 73.5 | Confident | 41 Ų | 41 | 43.5 Ų | 43.5 | 34% | 0.339 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L91 T123 G124 G125 F129 G131 | L91-A127 HydrophobicContact CD2-CB 3.89Å; T123-A127 WeakPolarHBondContact O-CB 3.28Å; T123-A127 PolarHBondContact O-N 3.05Å; G124-A127 PolarHBondContact O-N 2.92Å; G125-A127 VanDerWaalsContact C-N 3.35Å; A127-F129 VanDerWaalsContact C-N 3.33Å; A127-F129 PolarHBondContact O-N 3.28Å; A127-G131 PolarHBondContact O-N 3.26Å |
| 128 | V | 75.1 | Confident | 73.9 | Confident | 19 Ų | 19 | 41.5 Ų | 41.5 | 12% | 0.115 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.9 | -40 | 175.3 | 164.9 | 0 | 0 | 0 | 0 | 111.1 | G124 G125 V126 Q132 N180 | G124-V128 WeakPolarHBondContact O-CB 3.35Å; G124-V128 VanDerWaalsContact O-CG2 3.23Å; G124-V128 WeakPolarHBondContact O-CG2 3.29Å; G124-V128 PolarHBondContact O-N 3.46Å; G125-V128 PolarHBondContact O-N 2.91Å; V126-V128 PolarHBondContact O-N 3.08Å; V128-Q132 WeakPolarHBondContact O-CB 3.3Å; V128-Q132 PolarHBondContact O-N 3.03Å; V128-N180 HydrophobicContact CG1-CB 3.98Å |
| 129 | F | 79.4 | Confident | 74.1 | Confident | 112 Ų | 112 | 37.1 Ų | 37.1 | 49% | 0.491 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -66 | -43.2 | -179.4 | -174.3 | -98.7 | 0 | 0 | 0 | 112.5 | G125 V126 A127 W174 T177 | G125-F129 WeakPolarHBondContact O-CB 3.41Å; G125-F129 PolarHBondContact O-N 3.43Å; V126-F129 PolarHBondContact O-N 2.98Å; A127-F129 VanDerWaalsContact C-N 3.33Å; A127-F129 PolarHBondContact O-N 3.28Å; F129-W174 AromaticContact CD2-CD1 3.73Å; F129-W174 AromaticContact CD2-NE1 3.77Å; F129-W174 AromaticContact CE1-NE1 3.88Å; F129-W174 AromaticContact CE2-CD1 3.54Å; F129-W174 HydrophobicContact CE2-CG 4.38Å; F129-W174 AromaticContact CE2-NE1 3.53Å; F129-W174 AromaticContact CZ-NE1 3.59Å; F129-W174 PolarHBondContact O-NE1 3.49Å; F129-T177 HydrophobicContact CD2-CG2 4.49Å |
| 130 | I | 79.3 | Confident | 74.6 | Confident | 87 Ų | 87 | 37.5 Ų | 37.5 | 45% | 0.446 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -71.1 | -39.1 | 178 | -64.8 | 170.5 | 0 | 0 | 0 | 110.9 | L91 V126 P133 | L91-I130 HydrophobicContact CD1-CD1 3.72Å; L91-I130 HydrophobicContact CD1-CG2 4.32Å; L91-I130 HydrophobicContact CD2-CD1 4.17Å; V126-I130 HydrophobicContact CG1-CD1 3.85Å; V126-I130 WeakPolarHBondContact O-CG1 3.33Å; V126-I130 PolarHBondContact O-N 3.16Å; I130-P133 WeakPolarHBondContact O-CD 3.41Å |
| 131 | G | 74 | Confident | 74.9 | Confident | 20 Ų | 20 | 35.9 Ų | 35.9 | 21% | 0.206 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -79.1 | -16.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | A127 T134 E135 | A127-G131 PolarHBondContact O-N 3.26Å; G131-T134 PolarHBondContact O-N 2.68Å; G131-E135 PolarHBondContact O-N 2.91Å |
| 132 | Q | 81.8 | Confident | 74.5 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.9 | -45.1 | -172.6 | -164.1 | 69.5 | -114 | 0 | 0 | 114.7 | V128 T134 E135 V136 T177 N180 | V128-Q132 WeakPolarHBondContact O-CB 3.3Å; V128-Q132 PolarHBondContact O-N 3.03Å; Q132-T134 PolarHBondContact O-N 3.38Å; Q132-E135 WeakPolarHBondContact O-CB 3.37Å; Q132-E135 PolarHBondContact O-N 3.21Å; Q132-E135 VanDerWaalsContact O-N 3.14Å; Q132-V136 HydrophobicContact CG-CG2 4.24Å; Q132-V136 WeakPolarHBondContact O-CG2 3.46Å; Q132-V136 PolarHBondContact O-N 3.03Å; Q132-T177 WeakPolarHBondContact CG-OG1 3.37Å; Q132-N180 VanDerWaalsContact NE2-CB 3.35Å; Q132-N180 PolarHBondContact NE2-ND2 3.47Å |
| 133 | P | 81.1 | Confident | 74.2 | Confident | 18 Ų | 18 | 28.2 Ų | 28.2 | 12% | 0.117 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.4 | -39.5 | -177.4 | -27.5 | 37.8 | 0 | 0 | 0 | 112.9 | I130 V137 Y161 L173 W174 | I130-P133 WeakPolarHBondContact O-CD 3.41Å; P133-V137 WeakPolarHBondContact O-CG2 3.4Å; P133-V137 PolarHBondContact O-N 3.43Å; P133-Y161 HydrophobicContact CB-CE1 4.17Å; P133-L173 WeakPolarHBondContact CA-O 3.26Å; P133-L173 HydrophobicContact CB-CB 4.17Å; P133-L173 HydrophobicContact CB-CD2 4.31Å; P133-L173 HydrophobicContact CG-CB 4.43Å; P133-W174 HydrophobicContact CG-CD2 4.39Å; P133-W174 HydrophobicContact CG-CH2 4.28Å; P133-W174 HydrophobicContact CG-CZ2 3.84Å |
| 134 | T | 79.4 | Confident | 74 | Confident | 9 Ų | 9 | 27.3 Ų | 27.3 | 6% | 0.055 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -72.3 | -37.4 | 179.6 | -47.6 | 0 | 0 | 0 | 0 | 112.3 | A80 Q83 R84 G131 Q132 V137 K138 Y161 | A80-T134 WeakPolarHBondContact O-CG2 3.48Å; Q83-T134 HydrophobicContact CB-CG2 4.23Å; Q83-T134 HydrophobicContact CG-CG2 4.23Å; R84-T134 HydrophobicContact CB-CG2 3.74Å; G131-T134 PolarHBondContact O-N 2.68Å; Q132-T134 PolarHBondContact O-N 3.38Å; T134-V137 PolarHBondContact O-N 3.42Å; T134-K138 WeakPolarHBondContact O-CB 3.38Å; T134-K138 PolarHBondContact O-N 3.36Å; T134-Y161 WeakPolarHBondContact CA-OH 3.11Å; T134-Y161 WeakPolarHBondContact CB-OH 3.38Å; T134-Y161 WeakPolarHBondContact CG2-OH 3.45Å; T134-Y161 PolarHBondContact OG1-OH 3.3Å |
| 135 | E | 74.2 | Confident | 73.3 | Confident | 41 Ų | 41 | 28.6 Ų | 28.6 | 19% | 0.192 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 174.5 | -81.1 | -72.9 | 95.8 | 0 | 0 | 112.2 | R84 G131 Q132 V137 K138 V139 | R84-E135 WeakPolarHBondContact CD-OE1 3.4Å; R84-E135 IonicContact NE-OE1 3.38Å; G131-E135 PolarHBondContact O-N 2.91Å; Q132-E135 WeakPolarHBondContact O-CB 3.37Å; Q132-E135 PolarHBondContact O-N 3.21Å; Q132-E135 VanDerWaalsContact O-N 3.14Å; E135-V137 VanDerWaalsContact C-N 3.33Å; E135-V137 PolarHBondContact O-N 3.33Å; E135-K138 PolarHBondContact O-N 2.97Å; E135-V139 WeakPolarHBondContact O-CG2 3.4Å; E135-V139 PolarHBondContact O-N 3.19Å |
| 136 | V | 76.8 | Confident | 72.3 | Confident | 1 Ų | 1 | 30.6 Ų | 30.6 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.6 | -44.4 | 177.9 | 171.5 | 0 | 0 | 0 | 0 | 111 | Q132 R140 L173 K175 | Q132-V136 HydrophobicContact CG-CG2 4.24Å; Q132-V136 WeakPolarHBondContact O-CG2 3.46Å; Q132-V136 PolarHBondContact O-N 3.03Å; V136-R140 WeakPolarHBondContact O-CB 3.38Å; V136-R140 VanDerWaalsContact O-CG 3.29Å; V136-R140 WeakPolarHBondContact O-CG 3.35Å; V136-R140 PolarHBondContact O-N 3.06Å; V136-L173 WeakPolarHBondContact CG2-O 3.37Å; V136-K175 VanDerWaalsContact CG2-O 3.27Å; V136-K175 WeakPolarHBondContact CG2-O 3.28Å |
| 137 | V | 78.7 | Confident | 70.6 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.8 | -43.8 | 177.8 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | A80 P133 T134 E135 R140 L141 T157 A160 Y161 L173 | A80-V137 HydrophobicContact CB-CG1 4.34Å; P133-V137 WeakPolarHBondContact O-CG2 3.4Å; P133-V137 PolarHBondContact O-N 3.43Å; T134-V137 PolarHBondContact O-N 3.42Å; E135-V137 VanDerWaalsContact C-N 3.33Å; E135-V137 PolarHBondContact O-N 3.33Å; V137-R140 PolarHBondContact O-N 3.17Å; V137-L141 HydrophobicContact CG1-CD1 3.62Å; V137-L141 HydrophobicContact CG1-CG 4.32Å; V137-L141 WeakPolarHBondContact O-CB 3.28Å; V137-L141 VanDerWaalsContact O-CG 3.28Å; V137-L141 WeakPolarHBondContact O-CG 3.28Å; V137-L141 PolarHBondContact O-N 2.95Å; V137-T157 HydrophobicContact CG1-CG2 3.99Å; V137-A160 HydrophobicContact CG1-CB 3.74Å; V137-Y161 HydrophobicContact CB-CE1 4.39Å; V137-Y161 HydrophobicContact CB-CE2 4.38Å; V137-Y161 HydrophobicContact CG1-CD2 4.34Å; V137-Y161 HydrophobicContact CG1-CE2 4.17Å; V137-Y161 HydrophobicContact CG2-CD1 3.66Å; V137-Y161 HydrophobicContact CG2-CD2 4.2Å; V137-Y161 HydrophobicContact CG2-CE1 3.66Å; V137-Y161 HydrophobicContact CG2-CE2 4.21Å; V137-Y161 HydrophobicContact CG2-CG 3.93Å; V137-L173 HydrophobicContact CG2-CD2 4.46Å |
| 138 | K | 77.3 | Confident | 69.1 | Low | 14 Ų | 14 | 34.4 Ų | 34.4 | 6% | 0.061 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.8 | -52.8 | 176.2 | -179.1 | -173.3 | 172.5 | -177.9 | 0 | 110.9 | D35 A80 T134 E135 R140 L141 Q142 | D35-K138 IonicContact OD2-NZ 2.74Å; D35-K138 PolarHBondContact OD2-NZ 2.92Å; A80-K138 HydrophobicContact CB-CB 4.01Å; T134-K138 WeakPolarHBondContact O-CB 3.38Å; T134-K138 PolarHBondContact O-N 3.36Å; E135-K138 PolarHBondContact O-N 2.97Å; K138-R140 PolarHBondContact O-N 3.38Å; K138-L141 PolarHBondContact O-N 3.32Å; K138-Q142 VanDerWaalsContact CE-NE2 3.27Å; K138-Q142 WeakPolarHBondContact O-CG 3.49Å; K138-Q142 PolarHBondContact O-N 2.92Å |
| 139 | V | 71 | Confident | 67.6 | Low | 22 Ų | 22 | 37.5 Ų | 37.5 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | -177.2 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | E135 Q142 A143 I241 | E135-V139 WeakPolarHBondContact O-CG2 3.4Å; E135-V139 PolarHBondContact O-N 3.19Å; V139-Q142 PolarHBondContact O-N 2.67Å; V139-A143 WeakPolarHBondContact O-CB 3.28Å; V139-A143 PolarHBondContact O-N 2.91Å; V139-I241 HydrophobicContact CG1-CG2 4.06Å |
| 140 | R | 74.8 | Confident | 66.4 | Low | 22 Ų | 22 | 38.7 Ų | 38.7 | 8% | 0.083 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.5 | -37.2 | 179.3 | -73 | 177.7 | 177.6 | -155.1 | 3 | 113.2 | V136 V137 K138 A143 Q144 Y154 E168 | V136-R140 WeakPolarHBondContact O-CB 3.38Å; V136-R140 VanDerWaalsContact O-CG 3.29Å; V136-R140 WeakPolarHBondContact O-CG 3.35Å; V136-R140 PolarHBondContact O-N 3.06Å; V137-R140 PolarHBondContact O-N 3.17Å; K138-R140 PolarHBondContact O-N 3.38Å; R140-A143 PolarHBondContact O-N 3.48Å; R140-Q144 PolarHBondContact O-N 3.4Å; R140-Y154 HydrophobicContact CB-CE2 4.3Å; R140-E168 IonicContact CZ-OE1 2.64Å; R140-E168 IonicContact CZ-OE2 3.24Å; R140-E168 VanDerWaalsContact NH1-CD 3.32Å; R140-E168 IonicContact NH1-OE1 2.6Å; R140-E168 PolarHBondContact NH1-OE1 3.47Å; R140-E168 IonicContact NH1-OE2 3.85Å; R140-E168 PolarHBondContact NH1-OE2 3.32Å; R140-E168 IonicContact NH2-OE1 3.43Å; R140-E168 PolarHBondContact NH2-OE1 3.14Å; R140-E168 IonicContact NH2-OE2 2.8Å; R140-E168 PolarHBondContact NH2-OE2 3.24Å |
| 141 | L | 72.3 | Confident | 65.3 | Low | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.5 | -38.2 | 174.8 | -74.5 | 167.9 | 0 | 0 | 0 | 112.2 | A80 V137 K138 Y154 A160 | A80-L141 HydrophobicContact CB-CD1 4.44Å; V137-L141 HydrophobicContact CG1-CD1 3.62Å; V137-L141 HydrophobicContact CG1-CG 4.32Å; V137-L141 WeakPolarHBondContact O-CB 3.28Å; V137-L141 VanDerWaalsContact O-CG 3.28Å; V137-L141 WeakPolarHBondContact O-CG 3.28Å; V137-L141 PolarHBondContact O-N 2.95Å; K138-L141 PolarHBondContact O-N 3.32Å; L141-Y154 HydrophobicContact CD2-CG 4.39Å; L141-A160 HydrophobicContact CD1-CB 4.31Å; L141-A160 HydrophobicContact CD2-CB 4.12Å; L141-A160 HydrophobicContact CG-CB 4.21Å |
| 142 | Q | 62.7 | Low | 64.7 | Low | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.028 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.5 | -32.7 | 174.2 | -71.7 | 178.6 | -27.2 | 0 | 0 | 112 | F32 V39 R40 K138 V139 | F32-Q142 HydrophobicContact CZ-CG 4.33Å; V39-Q142 HydrophobicContact CB-CB 4.25Å; V39-Q142 HydrophobicContact CG1-CB 4.03Å; V39-Q142 HydrophobicContact CG2-CB 4.32Å; R40-Q142 PolarHBondContact NH1-O 3.31Å; K138-Q142 VanDerWaalsContact CE-NE2 3.27Å; K138-Q142 WeakPolarHBondContact O-CG 3.49Å; K138-Q142 PolarHBondContact O-N 2.92Å; V139-Q142 PolarHBondContact O-N 2.67Å |
| 143 | A | 63.8 | Low | 63.8 | Low | 12 Ų | 12 | 52.4 Ų | 52.4 | 10% | 0.099 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72.7 | -25.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | V39 R40 I43 V139 R140 S145 N242 | V39-A143 HydrophobicContact CG1-CB 4.25Å; R40-A143 PolarHBondContact NH1-O 2.88Å; I43-A143 VanDerWaalsContact CD1-CA 3.48Å; I43-A143 HydrophobicContact CD1-CB 3.31Å; V139-A143 WeakPolarHBondContact O-CB 3.28Å; V139-A143 PolarHBondContact O-N 2.91Å; R140-A143 PolarHBondContact O-N 3.48Å; A143-S145 PolarHBondContact O-N 3.38Å; A143-N242 WeakPolarHBondContact CB-OD1 3.35Å |
| 144 | Q | 65 | Low | 63 | Low | 34 Ų | 34 | 52.4 Ų | 52.4 | 16% | 0.159 | 27% | 0.273 | C | S | . | . | trans | -73.1 | 109 | -174 | -176.7 | 179 | -65.9 | 0 | 0 | 112.6 | R40 R140 H146 P152 Y154 | R40-Q144 VanDerWaalsContact CZ-O 3.3Å; R40-Q144 PolarHBondContact NH1-O 3.4Å; R40-Q144 PolarHBondContact NH2-O 2.89Å; R140-Q144 PolarHBondContact O-N 3.4Å; Q144-H146 PolarHBondContact NE2-CE1 2.87Å; Q144-P152 VanDerWaalsContact NE2-CB 3.34Å; Q144-Y154 PolarHBondContact NE2-O 2.91Å | ||
| 145 | S | 53 | Low | 62.4 | Low | 45 Ų | 45 | 57.1 Ų | 57.1 | 32% | 0.315 | 30% | 0.302 | S | S | . | . | trans | -95.4 | 139.5 | 176.6 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | R40 E69 A143 L147 | R40-S145 VanDerWaalsContact NH1-CA 3.25Å; E69-S145 PolarHBondContact OE1-OG 2.94Å; A143-S145 PolarHBondContact O-N 3.38Å; S145-L147 VanDerWaalsContact C-N 3.3Å; S145-L147 PolarHBondContact O-N 2.9Å | ||
| 146 | H | 51.9 | Low | 62.3 | Low | 60 Ų | 60 | 56.6 Ų | 56.6 | 28% | 0.278 | 31% | 0.308 | S | S | . | . | trans | -93.8 | 24.6 | -176.4 | -99.2 | 88.1 | 0 | 0 | 0 | 114.2 | E69 Q144 H148 P152 | E69-H146 PolarHBondContact OE1-N 3.2Å; Q144-H146 PolarHBondContact NE2-CE1 2.87Å; H146-H148 PolarHBondContact O-N 3.03Å; H146-P152 WeakPolarHBondContact CE1-CB 3.16Å; H146-P152 WeakPolarHBondContact NE2-CA 3.45Å; H146-P152 WeakPolarHBondContact NE2-CB 3.49Å; H146-P152 WeakPolarHBondContact NE2-CD 3.44Å; H146-P152 WeakPolarHBondContact NE2-CG 3.37Å | ||
| 147 | L | 40.6 | Very low | 62.2 | Low | 34 Ų | 34 | 57.6 Ų | 57.6 | 18% | 0.178 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 117.5 | -169.1 | -133.3 | 95.9 | 0 | 0 | 0 | 112.6 | R54 S145 | R54-L147 VanDerWaalsContact NH1-CD2 3.3Å; S145-L147 VanDerWaalsContact C-N 3.3Å; S145-L147 PolarHBondContact O-N 2.9Å |
| 148 | H | 38.1 | Very low | 62.2 | Low | 160 Ų | 160 | 66.6 Ų | 66.6 | 74% | 0.741 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 69.2 | 176.7 | -58.5 | 121.3 | 0 | 0 | 0 | 116.9 | H146 I150 | H146-H148 PolarHBondContact O-N 3.03Å; H148-I150 PolarHBondContact O-N 2.68Å |
| 149 | G | 45.3 | Very low | 62.3 | Low | 83 Ų | 83 | 68.1 Ų | 68.1 | 86% | 0.856 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 71.3 | -1.2 | 153.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 150 | I | 53.1 | Low | 62.6 | Low | 137 Ų | 137 | 67.1 Ų | 67.1 | 70% | 0.703 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -78 | 124.1 | 171.7 | -56.7 | 174.6 | 0 | 0 | 0 | 107.9 | H148 | H148-I150 PolarHBondContact O-N 2.68Š|
| 151 | K | 56 | Low | 62.9 | Low | 189 Ų | 189 | 68.1 Ų | 68.1 | 82% | 0.822 | 36% | 0.356 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 141.4 | -179.6 | -75.5 | -179.1 | 179.7 | 176.4 | 0 | 110.9 | R153 | K151-R153 PolarHBondContact O-N 3.49Š|
| 152 | P | 61.3 | Low | 63.3 | Low | 51 Ų | 51 | 75.3 Ų | 75.3 | 33% | 0.331 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -49.2 | 125 | 173.5 | 0 | -7.4 | 0 | 0 | 0 | 110.9 | Q144 H146 Y154 T155 | Q144-P152 VanDerWaalsContact NE2-CB 3.34Å; H146-P152 WeakPolarHBondContact CE1-CB 3.16Å; H146-P152 WeakPolarHBondContact NE2-CA 3.45Å; H146-P152 WeakPolarHBondContact NE2-CB 3.49Å; H146-P152 WeakPolarHBondContact NE2-CD 3.44Å; H146-P152 WeakPolarHBondContact NE2-CG 3.37Å; P152-Y154 WeakPolarHBondContact CB-O 3.38Å; P152-Y154 PolarHBondContact O-N 2.95Å; P152-T155 HydrophobicContact CB-CG2 4.42Å; P152-T155 HydrophobicContact CG-CG2 4.33Å |
| 153 | R | 64.3 | Low | 64.2 | Low | 156 Ų | 156 | 76.6 Ų | 76.6 | 59% | 0.589 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -63.6 | -32.7 | 170.4 | -173.6 | 172.8 | -179.5 | 125.6 | -0.8 | 111.1 | K151 I163 | K151-R153 PolarHBondContact O-N 3.49Å; R153-I163 VanDerWaalsContact O-CD1 3.27Å; R153-I163 WeakPolarHBondContact O-CD1 3.48Å |
| 154 | Y | 64.6 | Low | 65 | Low | 18 Ų | 18 | 76 Ų | 76 | 7% | 0.071 | 39% | 0.385 | C | S | . | . | trans | -127.2 | 126.1 | 176.3 | -52.9 | -66 | 0 | 0 | 0 | 109.8 | R140 L141 Q144 P152 A160 I163 V164 | R140-Y154 HydrophobicContact CB-CE2 4.3Å; L141-Y154 HydrophobicContact CD2-CG 4.39Å; Q144-Y154 PolarHBondContact NE2-O 2.91Å; P152-Y154 WeakPolarHBondContact CB-O 3.38Å; P152-Y154 PolarHBondContact O-N 2.95Å; Y154-A160 HydrophobicContact CD1-CB 3.71Å; Y154-A160 HydrophobicContact CE1-CB 4.29Å; Y154-A160 HydrophobicContact CG-CB 4.01Å; Y154-I163 HydrophobicContact CD1-CB 4.2Å; Y154-I163 HydrophobicContact CD1-CD1 4.01Å; Y154-I163 HydrophobicContact CD1-CG2 4.27Å; Y154-I163 HydrophobicContact CE1-CB 3.82Å; Y154-I163 HydrophobicContact CE1-CD1 4.39Å; Y154-I163 HydrophobicContact CE1-CG2 3.58Å; Y154-V164 HydrophobicContact CE1-CG2 4.15Å | ||
| 155 | T | 66.6 | Low | 65.8 | Low | 109 Ų | 109 | 76.1 Ų | 76.1 | 67% | 0.669 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -94 | -17.7 | 177.9 | 57 | 0 | 0 | 0 | 0 | 113 | P152 N159 | P152-T155 HydrophobicContact CB-CG2 4.42Å; P152-T155 HydrophobicContact CG-CG2 4.33Å; T155-N159 PolarHBondContact OG1-ND2 2.89Å |
| 156 | G | 71.9 | Confident | 67.1 | Low | 30 Ų | 30 | 78.7 Ų | 78.7 | 31% | 0.309 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -174.5 | 173.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y158 N159 A160 | G156-Y158 PolarHBondContact O-N 3.33Å; G156-N159 PolarHBondContact O-N 3.5Å; G156-A160 WeakPolarHBondContact O-CB 3.29Å; G156-A160 PolarHBondContact O-N 3.03Å |
| 157 | T | 73.9 | Confident | 68.4 | Low | 21 Ų | 21 | 79.8 Ų | 79.8 | 13% | 0.129 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -57.8 | -49.5 | -175.9 | -55.7 | 0 | 0 | 0 | 0 | 113 | A80 V137 N159 A160 Y161 | A80-T157 HydrophobicContact CB-CG2 3.82Å; V137-T157 HydrophobicContact CG1-CG2 3.99Å; T157-N159 PolarHBondContact O-N 2.8Å; T157-A160 WeakPolarHBondContact O-CB 3.48Å; T157-A160 PolarHBondContact O-N 3.47Å; T157-Y161 HydrophobicContact CG2-CD2 4.06Å; T157-Y161 HydrophobicContact CG2-CE2 3.66Å; T157-Y161 WeakPolarHBondContact O-CD2 3.42Å; T157-Y161 PolarHBondContact O-N 3.4Å |
| 158 | Y | 78.1 | Confident | 70 | Confident | 190 Ų | 190 | 80.8 Ų | 80.8 | 75% | 0.745 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -63.5 | -41.7 | 178.5 | -178.8 | -100.4 | 0 | 0 | 0 | 112.5 | G156 A160 Y161 R162 | G156-Y158 PolarHBondContact O-N 3.33Å; Y158-A160 VanDerWaalsContact C-N 3.28Å; Y158-A160 PolarHBondContact O-N 3.27Å; Y158-Y161 PolarHBondContact O-N 3.41Å; Y158-R162 PolarHBondContact O-N 3.25Å |
| 159 | N | 80.3 | Confident | 72 | Confident | 46 Ų | 46 | 74.5 Ų | 74.5 | 25% | 0.246 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.7 | -33.9 | 176.4 | -167.6 | 25 | 0 | 0 | 0 | 111.4 | T155 G156 T157 R162 I163 | T155-N159 PolarHBondContact OG1-ND2 2.89Å; G156-N159 PolarHBondContact O-N 3.5Å; T157-N159 PolarHBondContact O-N 2.8Å; N159-R162 PolarHBondContact O-N 2.99Å; N159-I163 WeakPolarHBondContact O-CB 3.46Å; N159-I163 WeakPolarHBondContact O-CG1 3.12Å; N159-I163 PolarHBondContact O-N 2.79Å; N159-I163 VanDerWaalsContact OD1-CD1 3.31Å; N159-I163 WeakPolarHBondContact OD1-CD1 3.29Å |
| 160 | A | 77 | Confident | 73.6 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.008 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V137 L141 Y154 G156 T157 Y158 R162 I163 V164 | V137-A160 HydrophobicContact CG1-CB 3.74Å; L141-A160 HydrophobicContact CD1-CB 4.31Å; L141-A160 HydrophobicContact CD2-CB 4.12Å; L141-A160 HydrophobicContact CG-CB 4.21Å; Y154-A160 HydrophobicContact CD1-CB 3.71Å; Y154-A160 HydrophobicContact CE1-CB 4.29Å; Y154-A160 HydrophobicContact CG-CB 4.01Å; G156-A160 WeakPolarHBondContact O-CB 3.29Å; G156-A160 PolarHBondContact O-N 3.03Å; T157-A160 WeakPolarHBondContact O-CB 3.48Å; T157-A160 PolarHBondContact O-N 3.47Å; Y158-A160 VanDerWaalsContact C-N 3.28Å; Y158-A160 PolarHBondContact O-N 3.27Å; A160-R162 VanDerWaalsContact C-N 3.35Å; A160-R162 PolarHBondContact O-N 3.44Å; A160-I163 PolarHBondContact O-N 3.1Å; A160-V164 WeakPolarHBondContact O-CB 3.27Å; A160-V164 WeakPolarHBondContact O-CG2 3.37Å; A160-V164 PolarHBondContact O-N 3.31Å |
| 161 | Y | 80.8 | Confident | 74.7 | Confident | 43 Ų | 43 | 75.6 Ų | 75.6 | 17% | 0.169 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -56.1 | -49.9 | 173 | -79.9 | -74.2 | 0 | 0 | 0 | 111.7 | P133 T134 V137 T157 Y158 V164 A165 L173 | P133-Y161 HydrophobicContact CB-CE1 4.17Å; T134-Y161 WeakPolarHBondContact CA-OH 3.11Å; T134-Y161 WeakPolarHBondContact CB-OH 3.38Å; T134-Y161 WeakPolarHBondContact CG2-OH 3.45Å; T134-Y161 PolarHBondContact OG1-OH 3.3Å; V137-Y161 HydrophobicContact CB-CE1 4.39Å; V137-Y161 HydrophobicContact CB-CE2 4.38Å; V137-Y161 HydrophobicContact CG1-CD2 4.34Å; V137-Y161 HydrophobicContact CG1-CE2 4.17Å; V137-Y161 HydrophobicContact CG2-CD1 3.66Å; V137-Y161 HydrophobicContact CG2-CD2 4.2Å; V137-Y161 HydrophobicContact CG2-CE1 3.66Å; V137-Y161 HydrophobicContact CG2-CE2 4.21Å; V137-Y161 HydrophobicContact CG2-CG 3.93Å; T157-Y161 HydrophobicContact CG2-CD2 4.06Å; T157-Y161 HydrophobicContact CG2-CE2 3.66Å; T157-Y161 WeakPolarHBondContact O-CD2 3.42Å; T157-Y161 PolarHBondContact O-N 3.4Å; Y158-Y161 PolarHBondContact O-N 3.41Å; Y161-V164 PolarHBondContact O-N 3.46Å; Y161-A165 VanDerWaalsContact O-CB 3.3Å; Y161-A165 WeakPolarHBondContact O-CB 3.39Å; Y161-A165 PolarHBondContact O-N 3.02Å; Y161-L173 HydrophobicContact CD1-CD2 3.82Å; Y161-L173 HydrophobicContact CE1-CD2 4.31Å |
| 162 | R | 81.9 | Confident | 75.6 | Confident | 157 Ų | 157 | 66.8 Ų | 66.8 | 59% | 0.592 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60.3 | -52.7 | -179.3 | -174.2 | 178.4 | -177.6 | -108.6 | 1.6 | 111.5 | Y158 N159 A160 V164 A165 T166 | Y158-R162 PolarHBondContact O-N 3.25Å; N159-R162 PolarHBondContact O-N 2.99Å; A160-R162 VanDerWaalsContact C-N 3.35Å; A160-R162 PolarHBondContact O-N 3.44Å; R162-V164 VanDerWaalsContact C-N 3.33Å; R162-V164 PolarHBondContact O-N 3.4Å; R162-A165 PolarHBondContact O-N 2.91Å; R162-T166 HydrophobicContact CG-CG2 4.35Å; R162-T166 WeakPolarHBondContact O-CG2 3.22Å; R162-T166 PolarHBondContact O-N 3.46Å; R162-T166 PolarHBondContact O-OG1 3.02Å |
| 163 | I | 80.5 | Confident | 76.4 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 16% | 0.164 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.3 | -43.5 | -177.7 | -70 | 168.9 | 0 | 0 | 0 | 110.6 | R153 Y154 N159 A160 T166 T167 | R153-I163 VanDerWaalsContact O-CD1 3.27Å; R153-I163 WeakPolarHBondContact O-CD1 3.48Å; Y154-I163 HydrophobicContact CD1-CB 4.2Å; Y154-I163 HydrophobicContact CD1-CD1 4.01Å; Y154-I163 HydrophobicContact CD1-CG2 4.27Å; Y154-I163 HydrophobicContact CE1-CB 3.82Å; Y154-I163 HydrophobicContact CE1-CD1 4.39Å; Y154-I163 HydrophobicContact CE1-CG2 3.58Å; N159-I163 WeakPolarHBondContact O-CB 3.46Å; N159-I163 WeakPolarHBondContact O-CG1 3.12Å; N159-I163 PolarHBondContact O-N 2.79Å; N159-I163 VanDerWaalsContact OD1-CD1 3.31Å; N159-I163 WeakPolarHBondContact OD1-CD1 3.29Å; A160-I163 PolarHBondContact O-N 3.1Å; I163-T166 PolarHBondContact O-N 2.78Å; I163-T166 PolarHBondContact O-OG1 2.75Å; I163-T167 HydrophobicContact CG2-CG2 4.11Å; I163-T167 VanDerWaalsContact O-CB 3.28Å; I163-T167 WeakPolarHBondContact O-CB 3.34Å; I163-T167 VanDerWaalsContact O-CG2 3.31Å; I163-T167 WeakPolarHBondContact O-CG2 3.42Å; I163-T167 PolarHBondContact O-N 2.94Å; I163-T167 PolarHBondContact O-OG1 3.05Å |
| 164 | V | 80.2 | Confident | 77.2 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.8 | -47.5 | 178.4 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | Y154 A160 Y161 R162 T166 T167 E168 L173 | Y154-V164 HydrophobicContact CE1-CG2 4.15Å; A160-V164 WeakPolarHBondContact O-CB 3.27Å; A160-V164 WeakPolarHBondContact O-CG2 3.37Å; A160-V164 PolarHBondContact O-N 3.31Å; Y161-V164 PolarHBondContact O-N 3.46Å; R162-V164 VanDerWaalsContact C-N 3.33Å; R162-V164 PolarHBondContact O-N 3.4Å; V164-T166 VanDerWaalsContact C-N 3.32Å; V164-T166 PolarHBondContact O-N 2.72Å; V164-T167 PolarHBondContact O-N 3.24Å; V164-E168 PolarHBondContact O-N 2.64Å; V164-L173 HydrophobicContact CB-CD2 4.43Å; V164-L173 HydrophobicContact CG1-CD2 4.06Å; V164-L173 HydrophobicContact CG1-CG 4.25Å |
| 165 | A | 81.8 | Confident | 77.5 | Confident | 35 Ų | 35 | 63.5 Ų | 63.5 | 29% | 0.289 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y161 R162 G169 L173 | Y161-A165 VanDerWaalsContact O-CB 3.3Å; Y161-A165 WeakPolarHBondContact O-CB 3.39Å; Y161-A165 PolarHBondContact O-N 3.02Å; R162-A165 PolarHBondContact O-N 2.91Å; A165-G169 CarbonylContact O-C 3.43Å; A165-G169 WeakPolarHBondContact O-CA 3.18Å; A165-G169 PolarHBondContact O-N 3.12Å; A165-L173 HydrophobicContact CB-CD1 4.31Å |
| 166 | T | 80.8 | Confident | 77.6 | Confident | 100 Ų | 100 | 58.6 Ų | 58.6 | 61% | 0.613 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -81.5 | -30.3 | -178.8 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | R162 I163 V164 | R162-T166 HydrophobicContact CG-CG2 4.35Å; R162-T166 WeakPolarHBondContact O-CG2 3.22Å; R162-T166 PolarHBondContact O-N 3.46Å; R162-T166 PolarHBondContact O-OG1 3.02Å; I163-T166 PolarHBondContact O-N 2.78Å; I163-T166 PolarHBondContact O-OG1 2.75Å; V164-T166 VanDerWaalsContact C-N 3.32Å; V164-T166 PolarHBondContact O-N 2.72Å |
| 167 | T | 79 | Confident | 77.8 | Confident | 82 Ų | 82 | 58.6 Ų | 58.6 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -94.7 | -34 | -175.4 | 58 | 0 | 0 | 0 | 0 | 113.6 | I163 V164 | I163-T167 HydrophobicContact CG2-CG2 4.11Å; I163-T167 VanDerWaalsContact O-CB 3.28Å; I163-T167 WeakPolarHBondContact O-CB 3.34Å; I163-T167 VanDerWaalsContact O-CG2 3.31Å; I163-T167 WeakPolarHBondContact O-CG2 3.42Å; I163-T167 PolarHBondContact O-N 2.94Å; I163-T167 PolarHBondContact O-OG1 3.05Å; V164-T167 PolarHBondContact O-N 3.24Å |
| 168 | E | 75.4 | Confident | 77.9 | Confident | 56 Ų | 56 | 62.2 Ų | 62.2 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -112.9 | -2.7 | -177.9 | -68.4 | 177.1 | -136.7 | 0 | 0 | 112.6 | R140 V164 | R140-E168 IonicContact CZ-OE1 2.64Å; R140-E168 IonicContact CZ-OE2 3.24Å; R140-E168 VanDerWaalsContact NH1-CD 3.32Å; R140-E168 IonicContact NH1-OE1 2.6Å; R140-E168 PolarHBondContact NH1-OE1 3.47Å; R140-E168 IonicContact NH1-OE2 3.85Å; R140-E168 PolarHBondContact NH1-OE2 3.32Å; R140-E168 IonicContact NH2-OE1 3.43Å; R140-E168 PolarHBondContact NH2-OE1 3.14Å; R140-E168 IonicContact NH2-OE2 2.8Å; R140-E168 PolarHBondContact NH2-OE2 3.24Å; V164-E168 PolarHBondContact O-N 2.64Å |
| 169 | G | 79.6 | Confident | 77.6 | Confident | 28 Ų | 28 | 53.4 Ų | 53.4 | 29% | 0.289 | 29% | 0.29 | S | S | . | . | trans | 77.1 | 176.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A165 T171 G172 | A165-G169 CarbonylContact O-C 3.43Å; A165-G169 WeakPolarHBondContact O-CA 3.18Å; A165-G169 PolarHBondContact O-N 3.12Å; G169-T171 PolarHBondContact O-N 3.48Å; G169-G172 PolarHBondContact O-N 3.07Å | ||
| 170 | L | 78.8 | Confident | 77.4 | Confident | 127 Ų | 127 | 52.2 Ų | 52.2 | 67% | 0.665 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -59 | -36.6 | 176.7 | -85.1 | 88.6 | 0 | 0 | 0 | 111.7 | G172 L173 W174 | L170-G172 PolarHBondContact O-N 3.26Å; L170-L173 WeakPolarHBondContact O-CB 3.37Å; L170-L173 PolarHBondContact O-N 2.6Å; L170-L173 VanDerWaalsContact O-N 3.07Å; L170-W174 WeakPolarHBondContact O-CZ3 3.5Å |
| 171 | T | 76.4 | Confident | 77.4 | Confident | 116 Ų | 116 | 55.1 Ų | 55.1 | 71% | 0.712 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62.4 | -22.7 | 177.6 | 49.2 | 0 | 0 | 0 | 0 | 113.3 | G169 L173 W174 K175 | G169-T171 PolarHBondContact O-N 3.48Å; T171-L173 VanDerWaalsContact C-N 3.3Å; T171-L173 PolarHBondContact O-N 3.23Å; T171-W174 PolarHBondContact O-N 2.93Å; T171-K175 PolarHBondContact O-N 3.02Å |
| 172 | G | 73.6 | Confident | 77.3 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.8 | -32.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G169 L170 W174 K175 | G169-G172 PolarHBondContact O-N 3.07Å; L170-G172 PolarHBondContact O-N 3.26Å; G172-W174 VanDerWaalsContact C-N 3.33Å; G172-W174 PolarHBondContact O-N 3.44Å; G172-K175 VanDerWaalsContact O-CB 3.22Å; G172-K175 WeakPolarHBondContact O-CB 3.46Å; G172-K175 PolarHBondContact O-N 2.8Å |
| 173 | L | 78.6 | Confident | 77.1 | Confident | 20 Ų | 20 | 52.7 Ų | 52.7 | 11% | 0.105 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.8 | -26.7 | 177.7 | -70.7 | 163.7 | 0 | 0 | 0 | 112.8 | P133 V136 V137 Y161 V164 A165 L170 T171 | P133-L173 WeakPolarHBondContact CA-O 3.26Å; P133-L173 HydrophobicContact CB-CB 4.17Å; P133-L173 HydrophobicContact CB-CD2 4.31Å; P133-L173 HydrophobicContact CG-CB 4.43Å; V136-L173 WeakPolarHBondContact CG2-O 3.37Å; V137-L173 HydrophobicContact CG2-CD2 4.46Å; Y161-L173 HydrophobicContact CD1-CD2 3.82Å; Y161-L173 HydrophobicContact CE1-CD2 4.31Å; V164-L173 HydrophobicContact CB-CD2 4.43Å; V164-L173 HydrophobicContact CG1-CD2 4.06Å; V164-L173 HydrophobicContact CG1-CG 4.25Å; A165-L173 HydrophobicContact CB-CD1 4.31Å; L170-L173 WeakPolarHBondContact O-CB 3.37Å; L170-L173 PolarHBondContact O-N 2.6Å; L170-L173 VanDerWaalsContact O-N 3.07Å; T171-L173 VanDerWaalsContact C-N 3.3Å; T171-L173 PolarHBondContact O-N 3.23Å |
| 174 | W | 81.9 | Confident | 76.8 | Confident | 81 Ų | 81 | 52.5 Ų | 52.5 | 31% | 0.307 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 6.6 | 175.1 | -76 | -91.7 | 0 | 0 | 0 | 113.1 | F129 P133 L170 T171 G172 G176 T177 | F129-W174 AromaticContact CD2-CD1 3.73Å; F129-W174 AromaticContact CD2-NE1 3.77Å; F129-W174 AromaticContact CE1-NE1 3.88Å; F129-W174 AromaticContact CE2-CD1 3.54Å; F129-W174 HydrophobicContact CE2-CG 4.38Å; F129-W174 AromaticContact CE2-NE1 3.53Å; F129-W174 AromaticContact CZ-NE1 3.59Å; F129-W174 PolarHBondContact O-NE1 3.49Å; P133-W174 HydrophobicContact CG-CD2 4.39Å; P133-W174 HydrophobicContact CG-CH2 4.28Å; P133-W174 HydrophobicContact CG-CZ2 3.84Å; L170-W174 WeakPolarHBondContact O-CZ3 3.5Å; T171-W174 PolarHBondContact O-N 2.93Å; G172-W174 VanDerWaalsContact C-N 3.33Å; G172-W174 PolarHBondContact O-N 3.44Å; W174-G176 PolarHBondContact O-N 3.14Å; W174-G176 VanDerWaalsContact O-N 3.11Å; W174-T177 WeakPolarHBondContact O-CB 3.48Å; W174-T177 PolarHBondContact O-N 3.47Å; W174-T177 PolarHBondContact O-OG1 2.85Å |
| 175 | K | 71.3 | Confident | 76.7 | Confident | 55 Ų | 55 | 54.4 Ų | 54.4 | 24% | 0.239 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 115 | 177.2 | -168.1 | -179.9 | -178.1 | -174.1 | 0 | 109.5 | V136 T171 G172 F240 | V136-K175 VanDerWaalsContact CG2-O 3.27Å; V136-K175 WeakPolarHBondContact CG2-O 3.28Å; T171-K175 PolarHBondContact O-N 3.02Å; G172-K175 VanDerWaalsContact O-CB 3.22Å; G172-K175 WeakPolarHBondContact O-CB 3.46Å; G172-K175 PolarHBondContact O-N 2.8Å; K175-F240 HydrophobicContact CG-CE1 4.34Å |
| 176 | G | 68.4 | Low | 76.7 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 6% | 0.062 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 106.3 | 4.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | W174 P179 N180 | W174-G176 PolarHBondContact O-N 3.14Å; W174-G176 VanDerWaalsContact O-N 3.11Å; G176-P179 VanDerWaalsContact C-CD 3.47Å; G176-P179 VanDerWaalsContact O-CD 3.22Å; G176-P179 WeakPolarHBondContact O-CD 3.45Å; G176-P179 VanDerWaalsContact O-CG 3.27Å; G176-P179 WeakPolarHBondContact O-CG 3.25Å; G176-N180 VanDerWaalsContact O-CB 3.26Å; G176-N180 WeakPolarHBondContact O-CB 3.44Å; G176-N180 PolarHBondContact O-N 3.12Å |
| 177 | T | 76.8 | Confident | 76.5 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 18% | 0.178 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.4 | -51.3 | 172.6 | -56.1 | 0 | 0 | 0 | 0 | 113 | F129 Q132 W174 N180 L181 | F129-T177 HydrophobicContact CD2-CG2 4.49Å; Q132-T177 WeakPolarHBondContact CG-OG1 3.37Å; W174-T177 WeakPolarHBondContact O-CB 3.48Å; W174-T177 PolarHBondContact O-N 3.47Å; W174-T177 PolarHBondContact O-OG1 2.85Å; T177-N180 PolarHBondContact O-N 2.97Å; T177-L181 WeakPolarHBondContact O-CB 3.33Å; T177-L181 PolarHBondContact O-N 3.44Å |
| 178 | T | 75.1 | Confident | 76.4 | Confident | 97 Ų | 97 | 51.5 Ų | 51.5 | 60% | 0.595 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -57.6 | -52.1 | 179.2 | -45 | 0 | 0 | 0 | 0 | 113.5 | N180 L181 M182 | T178-N180 VanDerWaalsContact C-N 3.3Å; T178-N180 PolarHBondContact O-N 3.44Å; T178-L181 PolarHBondContact O-N 3.43Å; T178-M182 WeakPolarHBondContact O-CB 3.41Å; T178-M182 WeakPolarHBondContact O-CG 3.45Å; T178-M182 PolarHBondContact O-N 2.9Å |
| 179 | P | 72 | Confident | 76.4 | Confident | 6 Ų | 6 | 51.4 Ų | 51.4 | 4% | 0.039 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.6 | -29.4 | 178 | 24.7 | -32.9 | 0 | 0 | 0 | 112.8 | G176 R183 K237 V251 | G176-P179 VanDerWaalsContact C-CD 3.47Å; G176-P179 VanDerWaalsContact O-CD 3.22Å; G176-P179 WeakPolarHBondContact O-CD 3.45Å; G176-P179 VanDerWaalsContact O-CG 3.27Å; G176-P179 WeakPolarHBondContact O-CG 3.25Å; P179-R183 WeakPolarHBondContact O-CB 3.46Å; P179-R183 PolarHBondContact O-N 3.36Å; P179-K237 HydrophobicContact CB-CB 4.1Å; P179-K237 HydrophobicContact CB-CG 4.13Å; P179-K237 HydrophobicContact CG-CG 4.23Å; P179-V251 HydrophobicContact CB-CG1 4.36Å; P179-V251 HydrophobicContact CB-CG2 4.39Å; P179-V251 HydrophobicContact CG-CG2 4.11Å |
| 180 | N | 75.5 | Confident | 76.4 | Confident | 20 Ų | 20 | 50.4 Ų | 50.4 | 11% | 0.107 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.9 | -40.3 | 174.9 | -157.2 | 29.2 | 0 | 0 | 0 | 112.1 | V128 Q132 G176 T177 T178 R183 S184 K237 | V128-N180 HydrophobicContact CG1-CB 3.98Å; Q132-N180 VanDerWaalsContact NE2-CB 3.35Å; Q132-N180 PolarHBondContact NE2-ND2 3.47Å; G176-N180 VanDerWaalsContact O-CB 3.26Å; G176-N180 WeakPolarHBondContact O-CB 3.44Å; G176-N180 PolarHBondContact O-N 3.12Å; T177-N180 PolarHBondContact O-N 2.97Å; T178-N180 VanDerWaalsContact C-N 3.3Å; T178-N180 PolarHBondContact O-N 3.44Å; N180-R183 PolarHBondContact O-N 2.78Å; N180-S184 PolarHBondContact O-N 2.64Å; N180-K237 PolarHBondContact OD1-NZ 3.27Å |
| 181 | L | 77.9 | Confident | 76.3 | Confident | 63 Ų | 63 | 48.7 Ų | 48.7 | 33% | 0.33 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.2 | -46.7 | 175.6 | -174.6 | 63.7 | 0 | 0 | 0 | 110.7 | T177 T178 R183 S184 V185 | T177-L181 WeakPolarHBondContact O-CB 3.33Å; T177-L181 PolarHBondContact O-N 3.44Å; T178-L181 PolarHBondContact O-N 3.43Å; L181-R183 PolarHBondContact O-N 3.33Å; L181-S184 WeakPolarHBondContact O-CB 3.33Å; L181-S184 PolarHBondContact O-N 2.84Å; L181-S184 VanDerWaalsContact O-N 3.12Å; L181-V185 WeakPolarHBondContact O-CG2 3.45Å; L181-V185 PolarHBondContact O-N 2.95Å |
| 182 | M | 77.4 | Confident | 76.1 | Confident | 101 Ų | 101 | 46 Ų | 46 | 50% | 0.498 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -58.9 | -44.4 | 175.4 | -73.6 | -70.6 | 140.1 | 0 | 0 | 112.1 | T178 S184 V185 I186 | T178-M182 WeakPolarHBondContact O-CB 3.41Å; T178-M182 WeakPolarHBondContact O-CG 3.45Å; T178-M182 PolarHBondContact O-N 2.9Å; M182-S184 VanDerWaalsContact C-N 3.33Å; M182-S184 PolarHBondContact O-N 3.39Å; M182-V185 PolarHBondContact O-N 2.98Å; M182-I186 VanDerWaalsContact O-CG1 3.28Å; M182-I186 WeakPolarHBondContact O-CG1 3.22Å; M182-I186 PolarHBondContact O-N 2.95Å |
| 183 | R | 78.4 | Confident | 76.4 | Confident | 47 Ų | 47 | 49.6 Ų | 49.6 | 18% | 0.177 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56 | -48.8 | 172.8 | 176 | -172.4 | 166.6 | 58.5 | 3.4 | 111.1 | P179 N180 L181 V185 I186 I187 S230 V233 D234 | P179-R183 WeakPolarHBondContact O-CB 3.46Å; P179-R183 PolarHBondContact O-N 3.36Å; N180-R183 PolarHBondContact O-N 2.78Å; L181-R183 PolarHBondContact O-N 3.33Å; R183-V185 VanDerWaalsContact C-N 3.34Å; R183-V185 PolarHBondContact O-N 2.85Å; R183-I186 PolarHBondContact O-N 3.08Å; R183-I187 HydrophobicContact CG-CD1 3.73Å; R183-I187 HydrophobicContact CG-CG1 4.47Å; R183-I187 WeakPolarHBondContact O-CG1 3.33Å; R183-I187 PolarHBondContact O-N 2.96Å; R183-S230 PolarHBondContact NH1-OG 3Å; R183-V233 HydrophobicContact CB-CG1 3.94Å; R183-D234 WeakPolarHBondContact CD-OD1 3.17Å; R183-D234 IonicContact CZ-OD1 3.52Å; R183-D234 IonicContact CZ-OD2 3.94Å; R183-D234 IonicContact NE-OD1 3.4Å; R183-D234 PolarHBondContact NE-OD1 3Å; R183-D234 IonicContact NH1-OD1 3.69Å; R183-D234 PolarHBondContact NH1-OD1 3.31Å; R183-D234 IonicContact NH1-OD2 3.7Å; R183-D234 PolarHBondContact NH1-OD2 3.03Å; R183-D234 IonicContact NH2-OD2 2.94Å |
| 184 | S | 74.3 | Confident | 76.4 | Confident | 29 Ų | 29 | 49.6 Ų | 49.6 | 20% | 0.203 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.6 | -44.4 | -179.3 | -165.3 | 0 | 0 | 0 | 0 | 111.5 | N180 L181 M182 I187 N188 | N180-S184 PolarHBondContact O-N 2.64Å; L181-S184 WeakPolarHBondContact O-CB 3.33Å; L181-S184 PolarHBondContact O-N 2.84Å; L181-S184 VanDerWaalsContact O-N 3.12Å; M182-S184 VanDerWaalsContact C-N 3.33Å; M182-S184 PolarHBondContact O-N 3.39Å; S184-I187 PolarHBondContact O-N 3.25Å; S184-N188 WeakPolarHBondContact O-CB 3.33Å; S184-N188 PolarHBondContact O-N 3.34Å; S184-N188 PolarHBondContact O-ND2 2.87Å; S184-N188 PolarHBondContact OG-ND2 3.47Å |
| 185 | V | 78.3 | Confident | 76.1 | Confident | 41 Ų | 41 | 48.9 Ų | 48.9 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.2 | -49.9 | 176.3 | 177.1 | 0 | 0 | 0 | 0 | 110.8 | L121 L181 M182 R183 I187 N188 C189 | L121-V185 HydrophobicContact CD2-CB 3.98Å; L121-V185 HydrophobicContact CD2-CG1 3.97Å; L121-V185 HydrophobicContact CD2-CG2 3.51Å; L181-V185 WeakPolarHBondContact O-CG2 3.45Å; L181-V185 PolarHBondContact O-N 2.95Å; M182-V185 PolarHBondContact O-N 2.98Å; R183-V185 VanDerWaalsContact C-N 3.34Å; R183-V185 PolarHBondContact O-N 2.85Å; V185-I187 PolarHBondContact O-N 2.96Å; V185-N188 PolarHBondContact O-N 3.43Å; V185-C189 WeakPolarHBondContact O-CB 3.3Å; V185-C189 PolarHBondContact O-N 2.88Å; V185-C189 PolarHBondContact O-SG 2.89Å |
| 186 | I | 80.8 | Confident | 76.2 | Confident | 49 Ų | 49 | 49.1 Ų | 49.1 | 25% | 0.251 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.7 | -45.4 | -178.2 | -67.9 | 169.7 | 0 | 0 | 0 | 111 | M182 R183 T190 M229 V233 | M182-I186 VanDerWaalsContact O-CG1 3.28Å; M182-I186 WeakPolarHBondContact O-CG1 3.22Å; M182-I186 PolarHBondContact O-N 2.95Å; R183-I186 PolarHBondContact O-N 3.08Å; I186-T190 VanDerWaalsContact O-CB 3.3Å; I186-T190 WeakPolarHBondContact O-CB 3.42Å; I186-T190 PolarHBondContact O-N 3.33Å; I186-T190 PolarHBondContact O-OG1 2.96Å; I186-M229 HydrophobicContact CG2-CB 4.24Å; I186-M229 HydrophobicContact CG2-CE 4.44Å; I186-V233 HydrophobicContact CD1-CB 4.45Å; I186-V233 HydrophobicContact CD1-CG2 3.47Å; I186-V233 VanDerWaalsContact CD1-CG2 3.47Å |
| 187 | I | 77.9 | Confident | 76.8 | Confident | 33 Ų | 33 | 53.4 Ų | 53.4 | 17% | 0.169 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.2 | -53 | 178.9 | -68.6 | 168.4 | 0 | 0 | 0 | 110.3 | R183 S184 V185 C189 T190 E191 A226 | R183-I187 HydrophobicContact CG-CD1 3.73Å; R183-I187 HydrophobicContact CG-CG1 4.47Å; R183-I187 WeakPolarHBondContact O-CG1 3.33Å; R183-I187 PolarHBondContact O-N 2.96Å; S184-I187 PolarHBondContact O-N 3.25Å; V185-I187 PolarHBondContact O-N 2.96Å; I187-C189 VanDerWaalsContact C-N 3.34Å; I187-C189 PolarHBondContact O-N 3.36Å; I187-T190 PolarHBondContact O-N 2.98Å; I187-E191 VanDerWaalsContact O-CB 3.23Å; I187-E191 WeakPolarHBondContact O-CB 3.41Å; I187-E191 PolarHBondContact O-N 3.24Å; I187-A226 HydrophobicContact CG2-CB 4.44Å |
| 188 | N | 75.6 | Confident | 76.8 | Confident | 73 Ų | 73 | 54.5 Ų | 54.5 | 39% | 0.39 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | -177.5 | -75.1 | -62.8 | 0 | 0 | 0 | 111.9 | S184 V185 L192 | S184-N188 WeakPolarHBondContact O-CB 3.33Å; S184-N188 PolarHBondContact O-N 3.34Å; S184-N188 PolarHBondContact O-ND2 2.87Å; S184-N188 PolarHBondContact OG-ND2 3.47Å; V185-N188 PolarHBondContact O-N 3.43Å; N188-L192 VanDerWaalsContact O-CB 3.29Å; N188-L192 WeakPolarHBondContact O-CB 3.24Å; N188-L192 PolarHBondContact O-N 3.42Å; N188-L192 VanDerWaalsContact O-N 3.08Å |
| 189 | C | 75.7 | Confident | 76.6 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 37% | 0.372 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 176.5 | -69.8 | 0 | 0 | 0 | 0 | 111.8 | V185 I187 V193 | V185-C189 WeakPolarHBondContact O-CB 3.3Å; V185-C189 PolarHBondContact O-N 2.88Å; V185-C189 PolarHBondContact O-SG 2.89Å; I187-C189 VanDerWaalsContact C-N 3.34Å; I187-C189 PolarHBondContact O-N 3.36Å; C189-V193 WeakPolarHBondContact O-CB 3.45Å; C189-V193 VanDerWaalsContact O-CG2 3.25Å; C189-V193 WeakPolarHBondContact O-CG2 3.21Å; C189-V193 PolarHBondContact O-N 3.17Å |
| 190 | T | 80.4 | Confident | 76.7 | Confident | 6 Ų | 6 | 59.4 Ų | 59.4 | 4% | 0.037 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67 | -44.6 | -179.1 | -51 | 0 | 0 | 0 | 0 | 111.4 | I186 I187 T194 C225 A226 M229 | I186-T190 VanDerWaalsContact O-CB 3.3Å; I186-T190 WeakPolarHBondContact O-CB 3.42Å; I186-T190 PolarHBondContact O-N 3.33Å; I186-T190 PolarHBondContact O-OG1 2.96Å; I187-T190 PolarHBondContact O-N 2.98Å; T190-T194 WeakPolarHBondContact O-CB 3.35Å; T190-T194 PolarHBondContact O-N 2.98Å; T190-T194 PolarHBondContact O-OG1 2.81Å; T190-C225 HydrophobicContact CG2-CB 4.23Å; T190-A226 HydrophobicContact CG2-CB 4.07Å; T190-M229 HydrophobicContact CG2-CB 4.31Å; T190-M229 HydrophobicContact CG2-CE 3.98Å; T190-M229 HydrophobicContact CG2-CG 4.23Å; T190-M229 HydrophobicContact CG2-SD 3.33Å; T190-M229 WeakPolarHBondContact CG2-SD 3.34Å; T190-M229 WeakPolarHBondContact OG1-CE 3.16Å; T190-M229 PolarHBondContact OG1-SD 3.45Å |
| 191 | E | 75.4 | Confident | 76.7 | Confident | 91 Ų | 91 | 60.3 Ų | 60.3 | 43% | 0.425 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.8 | -46.1 | -178.6 | -172.5 | 170.6 | -175.9 | 0 | 0 | 110.4 | I187 Y195 | I187-E191 VanDerWaalsContact O-CB 3.23Å; I187-E191 WeakPolarHBondContact O-CB 3.41Å; I187-E191 PolarHBondContact O-N 3.24Å; E191-Y195 WeakPolarHBondContact O-CB 3.34Å; E191-Y195 PolarHBondContact O-N 3.42Å |
| 192 | L | 73.9 | Confident | 76.4 | Confident | 60 Ų | 60 | 58.9 Ų | 58.9 | 31% | 0.314 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.9 | -52 | 178 | -167.6 | 152.2 | 0 | 0 | 0 | 111.8 | L113 I117 N188 T194 Y195 D196 | L113-L192 HydrophobicContact CD2-CD2 4.02Å; I117-L192 HydrophobicContact CD1-CD1 4.31Å; I117-L192 HydrophobicContact CD1-CD2 4.49Å; I117-L192 HydrophobicContact CG1-CD1 3.89Å; N188-L192 VanDerWaalsContact O-CB 3.29Å; N188-L192 WeakPolarHBondContact O-CB 3.24Å; N188-L192 PolarHBondContact O-N 3.42Å; N188-L192 VanDerWaalsContact O-N 3.08Å; L192-T194 PolarHBondContact O-N 3.09Å; L192-Y195 PolarHBondContact O-N 3.31Å; L192-D196 WeakPolarHBondContact CD2-OD2 3.33Å; L192-D196 PolarHBondContact O-N 3.45Å |
| 193 | V | 78.6 | Confident | 76 | Confident | 80 Ų | 80 | 57.8 Ų | 57.8 | 49% | 0.485 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | -179.2 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | C189 L197 | C189-V193 WeakPolarHBondContact O-CB 3.45Å; C189-V193 VanDerWaalsContact O-CG2 3.25Å; C189-V193 WeakPolarHBondContact O-CG2 3.21Å; C189-V193 PolarHBondContact O-N 3.17Å; V193-L197 HydrophobicContact CG1-CD1 3.85Å; V193-L197 HydrophobicContact CG1-CG 4.42Å; V193-L197 WeakPolarHBondContact O-CB 3.21Å; V193-L197 VanDerWaalsContact O-CG 3.24Å; V193-L197 WeakPolarHBondContact O-CG 3.24Å; V193-L197 PolarHBondContact O-N 3.18Å |
| 194 | T | 79.9 | Confident | 75.6 | Confident | 19 Ų | 19 | 64.1 Ų | 64.1 | 12% | 0.117 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.5 | -38.9 | -178.8 | -50.3 | 0 | 0 | 0 | 0 | 110.9 | T190 L192 M198 I221 A222 C225 | T190-T194 WeakPolarHBondContact O-CB 3.35Å; T190-T194 PolarHBondContact O-N 2.98Å; T190-T194 PolarHBondContact O-OG1 2.81Å; L192-T194 PolarHBondContact O-N 3.09Å; T194-M198 HydrophobicContact CG2-CG 4.1Å; T194-M198 VanDerWaalsContact O-CB 3.31Å; T194-M198 WeakPolarHBondContact O-CB 3.42Å; T194-M198 WeakPolarHBondContact O-CG 2.81Å; T194-M198 PolarHBondContact O-N 3.12Å; T194-I221 HydrophobicContact CG2-CG2 4.44Å; T194-A222 HydrophobicContact CG2-CB 4.13Å; T194-C225 HydrophobicContact CG2-CB 3.95Å |
| 195 | Y | 74.4 | Confident | 75.2 | Confident | 67 Ų | 67 | 67.8 Ų | 67.8 | 26% | 0.263 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.5 | -46.5 | 176.8 | -177.3 | -93.4 | 0 | 0 | 0 | 111.7 | E191 L192 M198 K199 H215 | E191-Y195 WeakPolarHBondContact O-CB 3.34Å; E191-Y195 PolarHBondContact O-N 3.42Å; L192-Y195 PolarHBondContact O-N 3.31Å; Y195-M198 PolarHBondContact O-N 3.36Å; Y195-K199 HydrophobicContact CE1-CD 4.3Å; Y195-K199 VanDerWaalsContact O-CB 3.29Å; Y195-K199 WeakPolarHBondContact O-CB 3.38Å; Y195-K199 PolarHBondContact O-N 2.83Å; Y195-H215 PolarHBondContact OH-ND1 3.31Å |
| 196 | D | 74.7 | Confident | 74.2 | Confident | 59 Ų | 59 | 73 Ų | 73 | 32% | 0.316 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 179.2 | -72.8 | -16.3 | 0 | 0 | 0 | 111.3 | L192 M198 K199 E200 | L192-D196 WeakPolarHBondContact CD2-OD2 3.33Å; L192-D196 PolarHBondContact O-N 3.45Å; D196-M198 PolarHBondContact O-N 2.88Å; D196-K199 PolarHBondContact O-N 3.45Å; D196-E200 WeakPolarHBondContact O-CB 3.42Å; D196-E200 WeakPolarHBondContact O-CG 3.39Å; D196-E200 PolarHBondContact O-N 3.48Å |
| 197 | L | 80.1 | Confident | 73.2 | Confident | 97 Ų | 97 | 76 Ų | 76 | 51% | 0.508 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 177.1 | -70.8 | 173.9 | 0 | 0 | 0 | 112.7 | V193 A201 | V193-L197 HydrophobicContact CG1-CD1 3.85Å; V193-L197 HydrophobicContact CG1-CG 4.42Å; V193-L197 WeakPolarHBondContact O-CB 3.21Å; V193-L197 VanDerWaalsContact O-CG 3.24Å; V193-L197 WeakPolarHBondContact O-CG 3.24Å; V193-L197 PolarHBondContact O-N 3.18Å; L197-A201 VanDerWaalsContact O-CB 3.26Å; L197-A201 WeakPolarHBondContact O-CB 2.87Å; L197-A201 PolarHBondContact O-N 2.84Å |
| 198 | M | 77.2 | Confident | 72.1 | Confident | 52 Ų | 52 | 77.1 Ų | 77.1 | 26% | 0.256 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70.2 | -41.4 | 178.5 | -70.6 | -58.1 | 98.9 | 0 | 0 | 111.3 | T194 Y195 D196 A201 F202 I221 | T194-M198 HydrophobicContact CG2-CG 4.1Å; T194-M198 VanDerWaalsContact O-CB 3.31Å; T194-M198 WeakPolarHBondContact O-CB 3.42Å; T194-M198 WeakPolarHBondContact O-CG 2.81Å; T194-M198 PolarHBondContact O-N 3.12Å; Y195-M198 PolarHBondContact O-N 3.36Å; D196-M198 PolarHBondContact O-N 2.88Å; M198-A201 PolarHBondContact O-N 2.88Å; M198-F202 HydrophobicContact CB-CD2 4.38Å; M198-F202 HydrophobicContact CB-CE2 4.26Å; M198-F202 WeakPolarHBondContact O-CD2 3.39Å; M198-F202 PolarHBondContact O-N 3.25Å; M198-I221 HydrophobicContact CG-CB 4.35Å; M198-I221 HydrophobicContact CG-CG2 3.9Å; M198-I221 HydrophobicContact SD-CD1 4.28Å; M198-I221 HydrophobicContact SD-CG2 3.83Å |
| 199 | K | 69.6 | Low | 71.1 | Confident | 70 Ų | 70 | 77.3 Ų | 77.3 | 30% | 0.304 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.3 | -47.7 | 176.2 | -171.5 | -179.6 | -179.3 | -176.5 | 0 | 111 | Y195 D196 A201 F202 V203 | Y195-K199 HydrophobicContact CE1-CD 4.3Å; Y195-K199 VanDerWaalsContact O-CB 3.29Å; Y195-K199 WeakPolarHBondContact O-CB 3.38Å; Y195-K199 PolarHBondContact O-N 2.83Å; D196-K199 PolarHBondContact O-N 3.45Å; K199-A201 VanDerWaalsContact C-N 3.32Å; K199-A201 PolarHBondContact O-N 3.26Å; K199-F202 PolarHBondContact O-N 2.89Å; K199-V203 HydrophobicContact CG-CG2 4.42Å; K199-V203 WeakPolarHBondContact O-CB 3.32Å; K199-V203 VanDerWaalsContact O-CG2 3.29Å; K199-V203 WeakPolarHBondContact O-CG2 3.43Å; K199-V203 PolarHBondContact O-N 3.25Å |
| 200 | E | 74.8 | Confident | 70.3 | Confident | 136 Ų | 136 | 79.7 Ų | 79.7 | 64% | 0.636 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -59.9 | -42.1 | 175.6 | -76.6 | -175.9 | 179.5 | 0 | 0 | 111.9 | D196 K204 | D196-E200 WeakPolarHBondContact O-CB 3.42Å; D196-E200 WeakPolarHBondContact O-CG 3.39Å; D196-E200 PolarHBondContact O-N 3.48Å; E200-K204 WeakPolarHBondContact O-CB 3.15Å; E200-K204 PolarHBondContact O-N 3.01Å |
| 201 | A | 74.8 | Confident | 69.4 | Low | 39 Ų | 39 | 84 Ų | 84 | 32% | 0.322 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | L197 M198 K199 N205 | L197-A201 VanDerWaalsContact O-CB 3.26Å; L197-A201 WeakPolarHBondContact O-CB 2.87Å; L197-A201 PolarHBondContact O-N 2.84Å; M198-A201 PolarHBondContact O-N 2.88Å; K199-A201 VanDerWaalsContact C-N 3.32Å; K199-A201 PolarHBondContact O-N 3.26Å; A201-N205 WeakPolarHBondContact O-CB 3.14Å; A201-N205 PolarHBondContact O-N 3.05Å; A201-N205 PolarHBondContact O-ND2 3.37Å |
| 202 | F | 72.4 | Confident | 69 | Low | 33 Ų | 33 | 84.3 Ų | 84.3 | 15% | 0.145 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -70.6 | -43.6 | 178.9 | -77.6 | -58.3 | 0 | 0 | 0 | 112.6 | M198 K199 N206 L208 V217 S218 I221 | M198-F202 HydrophobicContact CB-CD2 4.38Å; M198-F202 HydrophobicContact CB-CE2 4.26Å; M198-F202 WeakPolarHBondContact O-CD2 3.39Å; M198-F202 PolarHBondContact O-N 3.25Å; K199-F202 PolarHBondContact O-N 2.89Å; F202-N206 PolarHBondContact O-N 2.98Å; F202-L208 HydrophobicContact CD1-CD1 4.2Å; F202-L208 HydrophobicContact CE1-CD1 4.31Å; F202-V217 HydrophobicContact CE2-CG1 4.21Å; F202-V217 HydrophobicContact CZ-CG1 3.77Å; F202-S218 VanDerWaalsContact CD2-OG 3.25Å; F202-S218 WeakPolarHBondContact CD2-OG 3.26Å; F202-S218 WeakPolarHBondContact CE2-OG 3.34Å; F202-I221 HydrophobicContact CE2-CD1 4.31Å; F202-I221 HydrophobicContact CZ-CD1 4.13Å |
| 203 | V | 69.4 | Low | 68.6 | Low | 77 Ų | 77 | 84.5 Ų | 84.5 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 178.1 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | K199 N205 N206 | K199-V203 HydrophobicContact CG-CG2 4.42Å; K199-V203 WeakPolarHBondContact O-CB 3.32Å; K199-V203 VanDerWaalsContact O-CG2 3.29Å; K199-V203 WeakPolarHBondContact O-CG2 3.43Å; K199-V203 PolarHBondContact O-N 3.25Å; V203-N205 PolarHBondContact O-N 3.01Å; V203-N206 PolarHBondContact O-N 3.45Å |
| 204 | K | 69.6 | Low | 68.2 | Low | 181 Ų | 181 | 80.8 Ų | 80.8 | 79% | 0.787 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -70.3 | -29.8 | -178 | -167.9 | 174.2 | -177.3 | 178.5 | 0 | 113.4 | E200 | E200-K204 WeakPolarHBondContact O-CB 3.15Å; E200-K204 PolarHBondContact O-N 3.01Å |
| 205 | N | 66.8 | Low | 67.7 | Low | 105 Ų | 105 | 83.2 Ų | 83.2 | 56% | 0.561 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 1.7 | -179.5 | -68.3 | -21 | 0 | 0 | 0 | 113.9 | A201 V203 I207 | A201-N205 WeakPolarHBondContact O-CB 3.14Å; A201-N205 PolarHBondContact O-N 3.05Å; A201-N205 PolarHBondContact O-ND2 3.37Å; V203-N205 PolarHBondContact O-N 3.01Å; N205-I207 HydrophobicContact CB-CD1 3.74Å; N205-I207 HydrophobicContact CB-CG1 3.66Å; N205-I207 WeakPolarHBondContact O-CG1 3.11Å; N205-I207 PolarHBondContact O-N 3.33Å |
| 206 | N | 56.6 | Low | 67.5 | Low | 150 Ų | 150 | 84.6 Ų | 84.6 | 80% | 0.802 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 26.3 | -179 | -90.3 | -44.4 | 0 | 0 | 0 | 114.4 | F202 V203 | F202-N206 PolarHBondContact O-N 2.98Å; V203-N206 PolarHBondContact O-N 3.45Å |
| 207 | I | 60.4 | Low | 67.4 | Low | 114 Ų | 114 | 84.7 Ų | 84.7 | 59% | 0.585 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -81 | -31.5 | -174.9 | -54.4 | -178.6 | 0 | 0 | 0 | 111.1 | N205 | N205-I207 HydrophobicContact CB-CD1 3.74Å; N205-I207 HydrophobicContact CB-CG1 3.66Å; N205-I207 WeakPolarHBondContact O-CG1 3.11Å; N205-I207 PolarHBondContact O-N 3.33Å |
| 208 | L | 54.7 | Low | 67 | Low | 55 Ų | 55 | 80.1 Ų | 80.1 | 29% | 0.288 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -137.8 | 136.6 | 171.4 | -77.6 | 99.9 | 0 | 0 | 0 | 109.6 | F202 P213 C214 | F202-L208 HydrophobicContact CD1-CD1 4.2Å; F202-L208 HydrophobicContact CE1-CD1 4.31Å; L208-P213 HydrophobicContact CD2-CB 3.94Å; L208-C214 HydrophobicContact CB-CB 3.95Å; L208-C214 HydrophobicContact CD2-CB 4.15Å |
| 209 | A | 54.7 | Low | 66.7 | Low | 78 Ų | 78 | 80 Ų | 80 | 65% | 0.645 | 44% | 0.44 | S | S | * | . | trans | -62.1 | 158.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110 | D211 | A209-D211 PolarHBondContact O-N 3.13Š| ||
| 210 | D | 57.6 | Low | 66.9 | Low | 104 Ų | 104 | 82.2 Ų | 82.2 | 56% | 0.556 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -68.3 | 69.8 | 179.6 | -141.2 | 9.8 | 0 | 0 | 0 | 109.8 | H215 | D210-H215 IonicContact OD1-CE1 3.65Å; D210-H215 IonicContact OD1-NE2 3.69Å |
| 211 | D | 62.3 | Low | 67 | Low | 96 Ų | 96 | 78.5 Ų | 78.5 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -126.3 | 161.5 | -169.1 | -158 | -2.1 | 0 | 0 | 0 | 109.3 | A209 P213 C214 H215 | A209-D211 PolarHBondContact O-N 3.13Å; D211-P213 VanDerWaalsContact C-N 3.26Å; D211-P213 WeakPolarHBondContact O-CD 3.32Å; D211-C214 WeakPolarHBondContact O-CB 3.35Å; D211-C214 PolarHBondContact O-N 2.73Å; D211-H215 PolarHBondContact O-N 3.47Å |
| 212 | V | 66.3 | Low | 67 | Low | 99 Ų | 99 | 76.7 Ų | 76.7 | 60% | 0.6 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -47.5 | -38.6 | -175.2 | -179.2 | 0 | 0 | 0 | 0 | 114.1 | C214 L216 | V212-C214 PolarHBondContact O-N 3.07Å; V212-L216 HydrophobicContact CG1-CD1 4.26Å; V212-L216 PolarHBondContact O-N 2.93Å; V212-L216 VanDerWaalsContact O-N 3.16Å |
| 213 | P | 66.8 | Low | 67.1 | Low | 64 Ų | 64 | 76 Ų | 76 | 42% | 0.416 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.5 | -33.6 | 177.3 | -19.7 | 32.8 | 0 | 0 | 0 | 114 | L208 D211 L216 V217 | L208-P213 HydrophobicContact CD2-CB 3.94Å; D211-P213 VanDerWaalsContact C-N 3.26Å; D211-P213 WeakPolarHBondContact O-CD 3.32Å; P213-L216 PolarHBondContact O-N 3.2Å; P213-V217 WeakPolarHBondContact O-CG2 3.27Å; P213-V217 PolarHBondContact O-N 3Å |
| 214 | C | 68.5 | Low | 67.5 | Low | 2 Ų | 2 | 77.4 Ų | 77.4 | 1% | 0.014 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.6 | -44.5 | 179.7 | -175.5 | 0 | 0 | 0 | 0 | 111 | L208 D211 V212 L216 V217 S218 | L208-C214 HydrophobicContact CB-CB 3.95Å; L208-C214 HydrophobicContact CD2-CB 4.15Å; D211-C214 WeakPolarHBondContact O-CB 3.35Å; D211-C214 PolarHBondContact O-N 2.73Å; V212-C214 PolarHBondContact O-N 3.07Å; C214-L216 VanDerWaalsContact C-N 3.33Å; C214-L216 PolarHBondContact O-N 2.93Å; C214-V217 PolarHBondContact O-N 3.11Å; C214-S218 VanDerWaalsContact O-CB 3.27Å; C214-S218 WeakPolarHBondContact O-CB 3.31Å; C214-S218 PolarHBondContact O-N 3.36Å; C214-S218 PolarHBondContact O-OG 3.12Å |
| 215 | H | 71.1 | Confident | 68 | Low | 70 Ų | 70 | 70.8 Ų | 70.8 | 32% | 0.324 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 175.1 | -67.5 | -59.2 | 0 | 0 | 0 | 112.1 | Y195 D210 D211 A219 | Y195-H215 PolarHBondContact OH-ND1 3.31Å; D210-H215 IonicContact OD1-CE1 3.65Å; D210-H215 IonicContact OD1-NE2 3.69Å; D211-H215 PolarHBondContact O-N 3.47Å; H215-A219 WeakPolarHBondContact O-CB 3.37Å; H215-A219 PolarHBondContact O-N 3.23Å |
| 216 | L | 69 | Low | 68.5 | Low | 95 Ų | 95 | 66 Ų | 66 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.6 | -48.2 | 177.7 | -108.2 | 155.4 | 0 | 0 | 0 | 112.5 | V212 P213 C214 A219 L220 | V212-L216 HydrophobicContact CG1-CD1 4.26Å; V212-L216 PolarHBondContact O-N 2.93Å; V212-L216 VanDerWaalsContact O-N 3.16Å; P213-L216 PolarHBondContact O-N 3.2Å; C214-L216 VanDerWaalsContact C-N 3.33Å; C214-L216 PolarHBondContact O-N 2.93Å; L216-A219 PolarHBondContact O-N 3.34Å; L216-L220 VanDerWaalsContact O-CG 3.3Å; L216-L220 WeakPolarHBondContact O-CG 3.23Å; L216-L220 PolarHBondContact O-N 3.44Å |
| 217 | V | 74 | Confident | 69.3 | Low | 61 Ų | 61 | 59.5 Ų | 59.5 | 37% | 0.37 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 179.2 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | F202 P213 C214 A219 L220 I221 | F202-V217 HydrophobicContact CE2-CG1 4.21Å; F202-V217 HydrophobicContact CZ-CG1 3.77Å; P213-V217 WeakPolarHBondContact O-CG2 3.27Å; P213-V217 PolarHBondContact O-N 3Å; C214-V217 PolarHBondContact O-N 3.11Å; V217-A219 VanDerWaalsContact C-N 3.35Å; V217-A219 PolarHBondContact O-N 3.02Å; V217-L220 PolarHBondContact O-N 2.88Å; V217-I221 HydrophobicContact CG1-CD1 3.86Å; V217-I221 WeakPolarHBondContact O-CG1 3.22Å; V217-I221 PolarHBondContact O-N 3.35Å |
| 218 | S | 71.1 | Confident | 70.2 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.007 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 176.3 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | F202 C214 I221 A222 | F202-S218 VanDerWaalsContact CD2-OG 3.25Å; F202-S218 WeakPolarHBondContact CD2-OG 3.26Å; F202-S218 WeakPolarHBondContact CE2-OG 3.34Å; C214-S218 VanDerWaalsContact O-CB 3.27Å; C214-S218 WeakPolarHBondContact O-CB 3.31Å; C214-S218 PolarHBondContact O-N 3.36Å; C214-S218 PolarHBondContact O-OG 3.12Å; S218-I221 PolarHBondContact O-N 3Å; S218-A222 VanDerWaalsContact O-CB 3.28Å; S218-A222 WeakPolarHBondContact O-CB 3.38Å; S218-A222 PolarHBondContact O-N 3.25Å |
| 219 | A | 70.7 | Confident | 71.5 | Confident | 49 Ų | 49 | 58.1 Ų | 58.1 | 41% | 0.405 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H215 L216 V217 G223 | H215-A219 WeakPolarHBondContact O-CB 3.37Å; H215-A219 PolarHBondContact O-N 3.23Å; L216-A219 PolarHBondContact O-N 3.34Å; V217-A219 VanDerWaalsContact C-N 3.35Å; V217-A219 PolarHBondContact O-N 3.02Å; A219-G223 PolarHBondContact O-N 3.46Å |
| 220 | L | 72.6 | Confident | 72.5 | Confident | 117 Ų | 117 | 54.5 Ų | 54.5 | 61% | 0.613 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.8 | -43 | 176.5 | -74.7 | 172.3 | 0 | 0 | 0 | 112.2 | L216 V217 G223 F224 | L216-L220 VanDerWaalsContact O-CG 3.3Å; L216-L220 WeakPolarHBondContact O-CG 3.23Å; L216-L220 PolarHBondContact O-N 3.44Å; V217-L220 PolarHBondContact O-N 2.88Å; L220-G223 PolarHBondContact O-N 3.45Å; L220-F224 PolarHBondContact O-N 3.1Å |
| 221 | I | 78.2 | Confident | 73.4 | Confident | 59 Ų | 59 | 49.7 Ų | 49.7 | 30% | 0.303 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 176.4 | -64.6 | 167 | 0 | 0 | 0 | 110.1 | T194 M198 F202 V217 S218 G223 F224 C225 | T194-I221 HydrophobicContact CG2-CG2 4.44Å; M198-I221 HydrophobicContact CG-CB 4.35Å; M198-I221 HydrophobicContact CG-CG2 3.9Å; M198-I221 HydrophobicContact SD-CD1 4.28Å; M198-I221 HydrophobicContact SD-CG2 3.83Å; F202-I221 HydrophobicContact CE2-CD1 4.31Å; F202-I221 HydrophobicContact CZ-CD1 4.13Å; V217-I221 HydrophobicContact CG1-CD1 3.86Å; V217-I221 WeakPolarHBondContact O-CG1 3.22Å; V217-I221 PolarHBondContact O-N 3.35Å; S218-I221 PolarHBondContact O-N 3Å; I221-G223 VanDerWaalsContact C-N 3.34Å; I221-G223 PolarHBondContact O-N 3.36Å; I221-F224 PolarHBondContact O-N 2.78Å; I221-C225 PolarHBondContact O-N 3.45Å |
| 222 | A | 74.5 | Confident | 74 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.008 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.7 | -44.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T194 S218 F224 C225 A226 | T194-A222 HydrophobicContact CG2-CB 4.13Å; S218-A222 VanDerWaalsContact O-CB 3.28Å; S218-A222 WeakPolarHBondContact O-CB 3.38Å; S218-A222 PolarHBondContact O-N 3.25Å; A222-F224 VanDerWaalsContact C-N 3.34Å; A222-F224 PolarHBondContact O-N 3.33Å; A222-C225 PolarHBondContact O-N 3.47Å; A222-A226 VanDerWaalsContact O-CB 3.29Å; A222-A226 WeakPolarHBondContact O-CB 3.44Å; A222-A226 PolarHBondContact O-N 2.82Å |
| 223 | G | 73.4 | Confident | 74.5 | Confident | 19 Ų | 19 | 43.7 Ų | 43.7 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.6 | -37.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A219 L220 I221 T227 | A219-G223 PolarHBondContact O-N 3.46Å; L220-G223 PolarHBondContact O-N 3.45Å; I221-G223 VanDerWaalsContact C-N 3.34Å; I221-G223 PolarHBondContact O-N 3.36Å; G223-T227 WeakPolarHBondContact O-CB 3.1Å; G223-T227 PolarHBondContact O-N 2.82Å; G223-T227 PolarHBondContact O-OG1 3.22Å |
| 224 | F | 79.1 | Confident | 74.7 | Confident | 106 Ų | 106 | 41.3 Ų | 41.3 | 47% | 0.465 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.9 | -49.6 | 174.6 | -179.4 | -101.4 | 0 | 0 | 0 | 111.8 | L220 I221 A222 A226 T227 A228 F275 | L220-F224 PolarHBondContact O-N 3.1Å; I221-F224 PolarHBondContact O-N 2.78Å; A222-F224 VanDerWaalsContact C-N 3.34Å; A222-F224 PolarHBondContact O-N 3.33Å; F224-A226 PolarHBondContact O-N 2.89Å; F224-T227 PolarHBondContact O-N 3.47Å; F224-A228 PolarHBondContact O-N 3.4Å; F224-F275 HydrophobicContact CB-CE2 4.43Å; F224-F275 AromaticContact CD2-CD2 3.78Å; F224-F275 HydrophobicContact CD2-CD2 3.78Å; F224-F275 AromaticContact CD2-CE2 3.49Å; F224-F275 HydrophobicContact CD2-CE2 3.49Å; F224-F275 VanDerWaalsContact CD2-CE2 3.49Å; F224-F275 AromaticContact CD2-CZ 4Å; F224-F275 HydrophobicContact CD2-CZ 4Å; F224-F275 HydrophobicContact CE2-CD2 4.29Å; F224-F275 HydrophobicContact CE2-CE2 4.25Å; F224-F275 HydrophobicContact CG-CE2 4.43Å |
| 225 | C | 79.5 | Confident | 74.9 | Confident | 42 Ų | 42 | 41.7 Ų | 41.7 | 28% | 0.284 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.9 | -44 | 177.6 | -71.7 | 0 | 0 | 0 | 0 | 111.9 | T190 T194 I221 A222 T227 A228 M229 | T190-C225 HydrophobicContact CG2-CB 4.23Å; T194-C225 HydrophobicContact CG2-CB 3.95Å; I221-C225 PolarHBondContact O-N 3.45Å; A222-C225 PolarHBondContact O-N 3.47Å; C225-T227 VanDerWaalsContact C-N 3.3Å; C225-T227 PolarHBondContact O-N 3.3Å; C225-A228 PolarHBondContact O-N 3.01Å; C225-M229 PolarHBondContact O-N 3.46Å |
| 226 | A | 77.1 | Confident | 75 | Confident | 4 Ų | 4 | 38.9 Ų | 38.9 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.3 | -38.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I187 T190 A222 F224 S230 | I187-A226 HydrophobicContact CG2-CB 4.44Å; T190-A226 HydrophobicContact CG2-CB 4.07Å; A222-A226 VanDerWaalsContact O-CB 3.29Å; A222-A226 WeakPolarHBondContact O-CB 3.44Å; A222-A226 PolarHBondContact O-N 2.82Å; F224-A226 PolarHBondContact O-N 2.89Å; A226-S230 WeakPolarHBondContact O-CB 3.25Å; A226-S230 PolarHBondContact O-N 3.43Å; A226-S230 PolarHBondContact O-OG 2.84Å |
| 227 | T | 74.1 | Confident | 75 | Confident | 13 Ų | 13 | 35.1 Ų | 35.1 | 8% | 0.08 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68 | -43.3 | 175.4 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | G223 F224 C225 S230 S231 L271 | G223-T227 WeakPolarHBondContact O-CB 3.1Å; G223-T227 PolarHBondContact O-N 2.82Å; G223-T227 PolarHBondContact O-OG1 3.22Å; F224-T227 PolarHBondContact O-N 3.47Å; C225-T227 VanDerWaalsContact C-N 3.3Å; C225-T227 PolarHBondContact O-N 3.3Å; T227-S230 PolarHBondContact O-N 3.4Å; T227-S230 PolarHBondContact O-OG 2.92Å; T227-S231 WeakPolarHBondContact O-CB 3.27Å; T227-S231 PolarHBondContact O-N 2.83Å; T227-S231 PolarHBondContact O-OG 3.32Å; T227-L271 HydrophobicContact CG2-CD1 4.44Å |
| 228 | A | 79.6 | Confident | 74.7 | Confident | 30 Ų | 30 | 33.6 Ų | 33.6 | 25% | 0.248 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -45 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F224 C225 | F224-A228 PolarHBondContact O-N 3.4Å; C225-A228 PolarHBondContact O-N 3.01Å |
| 229 | M | 80.5 | Confident | 74.6 | Confident | 110 Ų | 110 | 34.1 Ų | 34.1 | 54% | 0.542 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71.7 | -33 | 178.8 | -76.6 | -178.3 | 48.1 | 0 | 0 | 113.8 | I186 T190 C225 P232 | I186-M229 HydrophobicContact CG2-CB 4.24Å; I186-M229 HydrophobicContact CG2-CE 4.44Å; T190-M229 HydrophobicContact CG2-CB 4.31Å; T190-M229 HydrophobicContact CG2-CE 3.98Å; T190-M229 HydrophobicContact CG2-CG 4.23Å; T190-M229 HydrophobicContact CG2-SD 3.33Å; T190-M229 WeakPolarHBondContact CG2-SD 3.34Å; T190-M229 WeakPolarHBondContact OG1-CE 3.16Å; T190-M229 PolarHBondContact OG1-SD 3.45Å; C225-M229 PolarHBondContact O-N 3.46Å; M229-P232 WeakPolarHBondContact O-CD 3.34Å |
| 230 | S | 76.9 | Confident | 74.6 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.014 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -83 | -13.9 | 178.8 | 63.4 | 0 | 0 | 0 | 0 | 114 | R183 A226 T227 V233 D234 | R183-S230 PolarHBondContact NH1-OG 3Å; A226-S230 WeakPolarHBondContact O-CB 3.25Å; A226-S230 PolarHBondContact O-N 3.43Å; A226-S230 PolarHBondContact O-OG 2.84Å; T227-S230 PolarHBondContact O-N 3.4Å; T227-S230 PolarHBondContact O-OG 2.92Å; S230-V233 PolarHBondContact O-N 3.24Å; S230-V233 VanDerWaalsContact O-N 3.16Å; S230-D234 PolarHBondContact O-N 2.82Å |
| 231 | S | 75.7 | Confident | 74.2 | Confident | 3 Ų | 3 | 28 Ų | 28 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.3 | -44 | -177.3 | -73.5 | 0 | 0 | 0 | 0 | 114.9 | T227 V233 D234 V235 L271 | T227-S231 WeakPolarHBondContact O-CB 3.27Å; T227-S231 PolarHBondContact O-N 2.83Å; T227-S231 PolarHBondContact O-OG 3.32Å; S231-V233 VanDerWaalsContact C-N 3.28Å; S231-V233 PolarHBondContact O-N 3.42Å; S231-D234 WeakPolarHBondContact O-CB 3.44Å; S231-D234 PolarHBondContact O-N 2.95Å; S231-V235 WeakPolarHBondContact O-CG2 3.38Å; S231-V235 PolarHBondContact O-N 3.04Å; S231-V235 VanDerWaalsContact O-N 3.07Å; S231-L271 WeakPolarHBondContact OG-CD1 3.48Å |
| 232 | P | 75.9 | Confident | 73.5 | Confident | 36 Ų | 36 | 27.2 Ų | 27.2 | 23% | 0.234 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.1 | -40.2 | 175.5 | -25 | 35.3 | 0 | 0 | 0 | 112.5 | M229 V235 V236 F267 | M229-P232 WeakPolarHBondContact O-CD 3.34Å; P232-V235 PolarHBondContact O-N 3.5Å; P232-V236 VanDerWaalsContact O-CG2 3.29Å; P232-V236 WeakPolarHBondContact O-CG2 3.23Å; P232-V236 PolarHBondContact O-N 3.43Å; P232-V236 VanDerWaalsContact O-N 3.14Å; P232-F267 HydrophobicContact CB-CB 4.15Å; P232-F267 HydrophobicContact CB-CD1 3.88Å; P232-F267 HydrophobicContact CB-CG 4.42Å; P232-F267 HydrophobicContact CG-CB 4.45Å |
| 233 | V | 75.6 | Confident | 72.9 | Confident | 33 Ų | 33 | 27.7 Ų | 27.7 | 20% | 0.2 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.7 | -35.8 | 179.4 | -179 | 0 | 0 | 0 | 0 | 111.4 | R183 I186 S230 S231 V236 K237 | R183-V233 HydrophobicContact CB-CG1 3.94Å; I186-V233 HydrophobicContact CD1-CB 4.45Å; I186-V233 HydrophobicContact CD1-CG2 3.47Å; I186-V233 VanDerWaalsContact CD1-CG2 3.47Å; S230-V233 PolarHBondContact O-N 3.24Å; S230-V233 VanDerWaalsContact O-N 3.16Å; S231-V233 VanDerWaalsContact C-N 3.28Å; S231-V233 PolarHBondContact O-N 3.42Å; V233-V236 PolarHBondContact O-N 2.96Å; V233-K237 VanDerWaalsContact O-CB 3.27Å; V233-K237 WeakPolarHBondContact O-CB 3.1Å; V233-K237 PolarHBondContact O-N 3.01Å |
| 234 | D | 72.6 | Confident | 72.2 | Confident | 15 Ų | 15 | 30.4 Ų | 30.4 | 8% | 0.08 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.8 | -49.6 | 173.2 | -85.3 | -8.1 | 0 | 0 | 0 | 112.4 | R183 S230 S231 V236 K237 T238 | R183-D234 WeakPolarHBondContact CD-OD1 3.17Å; R183-D234 IonicContact CZ-OD1 3.52Å; R183-D234 IonicContact CZ-OD2 3.94Å; R183-D234 IonicContact NE-OD1 3.4Å; R183-D234 PolarHBondContact NE-OD1 3Å; R183-D234 IonicContact NH1-OD1 3.69Å; R183-D234 PolarHBondContact NH1-OD1 3.31Å; R183-D234 IonicContact NH1-OD2 3.7Å; R183-D234 PolarHBondContact NH1-OD2 3.03Å; R183-D234 IonicContact NH2-OD2 2.94Å; S230-D234 PolarHBondContact O-N 2.82Å; S231-D234 WeakPolarHBondContact O-CB 3.44Å; S231-D234 PolarHBondContact O-N 2.95Å; D234-V236 VanDerWaalsContact C-N 3.32Å; D234-V236 PolarHBondContact O-N 2.9Å; D234-K237 PolarHBondContact O-N 3.35Å; D234-T238 WeakPolarHBondContact O-CG2 3.33Å; D234-T238 PolarHBondContact O-N 2.99Å; D234-T238 PolarHBondContact O-OG1 3.47Å; D234-T238 VanDerWaalsContact O-OG1 3.07Å |
| 235 | V | 71.1 | Confident | 71.1 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 6% | 0.055 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.6 | -42.8 | -178.6 | 176.1 | 0 | 0 | 0 | 0 | 110.6 | S231 P232 T238 R239 M258 F267 | S231-V235 WeakPolarHBondContact O-CG2 3.38Å; S231-V235 PolarHBondContact O-N 3.04Å; S231-V235 VanDerWaalsContact O-N 3.07Å; P232-V235 PolarHBondContact O-N 3.5Å; V235-T238 PolarHBondContact O-OG1 3.04Å; V235-R239 WeakPolarHBondContact O-CG 3.17Å; V235-R239 PolarHBondContact O-N 3.22Å; V235-R239 VanDerWaalsContact O-N 3.12Å; V235-M258 HydrophobicContact CG1-CE 3.96Å; V235-M258 HydrophobicContact CG1-SD 3.86Å; V235-F267 WeakPolarHBondContact CG2-O 3.43Å |
| 236 | V | 73.1 | Confident | 70.3 | Confident | 11 Ų | 11 | 32.6 Ų | 32.6 | 7% | 0.067 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 176.9 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | P232 V233 D234 R239 F240 V251 A255 M258 F267 | P232-V236 VanDerWaalsContact O-CG2 3.29Å; P232-V236 WeakPolarHBondContact O-CG2 3.23Å; P232-V236 PolarHBondContact O-N 3.43Å; P232-V236 VanDerWaalsContact O-N 3.14Å; V233-V236 PolarHBondContact O-N 2.96Å; D234-V236 VanDerWaalsContact C-N 3.32Å; D234-V236 PolarHBondContact O-N 2.9Å; V236-R239 PolarHBondContact O-N 3.07Å; V236-F240 VanDerWaalsContact O-CB 3.31Å; V236-F240 WeakPolarHBondContact O-CB 3.23Å; V236-F240 PolarHBondContact O-N 2.72Å; V236-V251 HydrophobicContact CG1-CG1 3.71Å; V236-A255 HydrophobicContact CG1-CB 4.33Å; V236-A255 HydrophobicContact CG2-CB 4.04Å; V236-M258 HydrophobicContact CG2-CE 3.66Å; V236-F267 HydrophobicContact CG2-CD1 4.27Å; V236-F267 HydrophobicContact CG2-CE1 3.88Å |
| 237 | K | 70.7 | Confident | 69.9 | Low | 17 Ų | 17 | 37 Ų | 37 | 7% | 0.074 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.8 | -49.8 | 177.8 | -179.5 | -173.8 | 174.1 | -166.8 | 0 | 110.8 | P179 N180 V233 D234 R239 F240 I241 | P179-K237 HydrophobicContact CB-CB 4.1Å; P179-K237 HydrophobicContact CB-CG 4.13Å; P179-K237 HydrophobicContact CG-CG 4.23Å; N180-K237 PolarHBondContact OD1-NZ 3.27Å; V233-K237 VanDerWaalsContact O-CB 3.27Å; V233-K237 WeakPolarHBondContact O-CB 3.1Å; V233-K237 PolarHBondContact O-N 3.01Å; D234-K237 PolarHBondContact O-N 3.35Å; K237-R239 VanDerWaalsContact C-N 3.33Å; K237-R239 PolarHBondContact O-N 3.28Å; K237-F240 PolarHBondContact O-N 3.33Å; K237-I241 HydrophobicContact CD-CD1 4.36Å; K237-I241 HydrophobicContact CG-CD1 3.72Å; K237-I241 HydrophobicContact CG-CG1 4.48Å; K237-I241 WeakPolarHBondContact O-CG1 3.48Å; K237-I241 PolarHBondContact O-N 3.47Å |
| 238 | T | 67.3 | Low | 69.6 | Low | 28 Ų | 28 | 38.5 Ų | 38.5 | 17% | 0.172 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.3 | -41.3 | -177.3 | 51.7 | 0 | 0 | 0 | 0 | 111.7 | D234 V235 N242 | D234-T238 WeakPolarHBondContact O-CG2 3.33Å; D234-T238 PolarHBondContact O-N 2.99Å; D234-T238 PolarHBondContact O-OG1 3.47Å; D234-T238 VanDerWaalsContact O-OG1 3.07Å; V235-T238 PolarHBondContact O-OG1 3.04Å; T238-N242 WeakPolarHBondContact O-CB 3.47Å; T238-N242 PolarHBondContact O-N 3.3Å; T238-N242 VanDerWaalsContact O-N 3.1Å |
| 239 | R | 68.8 | Low | 68.9 | Low | 13 Ų | 13 | 48.3 Ų | 48.3 | 5% | 0.049 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.6 | -44.7 | 176.5 | -74 | -171.5 | 176.8 | -147.4 | 8.3 | 112.8 | E46 V235 V236 K237 I241 N242 S243 M258 E262 | E46-R239 WeakPolarHBondContact OE1-CA 3.45Å; V235-R239 WeakPolarHBondContact O-CG 3.17Å; V235-R239 PolarHBondContact O-N 3.22Å; V235-R239 VanDerWaalsContact O-N 3.12Å; V236-R239 PolarHBondContact O-N 3.07Å; K237-R239 VanDerWaalsContact C-N 3.33Å; K237-R239 PolarHBondContact O-N 3.28Å; R239-I241 VanDerWaalsContact C-N 3.34Å; R239-I241 PolarHBondContact O-N 3.15Å; R239-N242 PolarHBondContact O-N 3.4Å; R239-S243 WeakPolarHBondContact O-CB 3.3Å; R239-S243 PolarHBondContact O-N 2.94Å; R239-S243 PolarHBondContact O-OG 3.44Å; R239-M258 VanDerWaalsContact CD-SD 3.6Å; R239-E262 IonicContact CZ-OE1 3.68Å; R239-E262 IonicContact CZ-OE2 3.23Å; R239-E262 IonicContact NH1-OE1 2.72Å; R239-E262 PolarHBondContact NH1-OE1 2.82Å; R239-E262 IonicContact NH1-OE2 3.2Å; R239-E262 IonicContact NH2-OE1 3.57Å; R239-E262 PolarHBondContact NH2-OE1 3.23Å; R239-E262 IonicContact NH2-OE2 2.93Å; R239-E262 PolarHBondContact NH2-OE2 3.44Å |
| 240 | F | 69.6 | Low | 68.6 | Low | 29 Ų | 29 | 45.4 Ų | 45.4 | 13% | 0.127 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 179.6 | -177.9 | -99.9 | 0 | 0 | 0 | 112.6 | K175 V236 K237 V251 | K175-F240 HydrophobicContact CG-CE1 4.34Å; V236-F240 VanDerWaalsContact O-CB 3.31Å; V236-F240 WeakPolarHBondContact O-CB 3.23Å; V236-F240 PolarHBondContact O-N 2.72Å; K237-F240 PolarHBondContact O-N 3.33Å; F240-V251 HydrophobicContact CD1-CG2 4.01Å; F240-V251 HydrophobicContact CD2-CG2 4.23Å; F240-V251 HydrophobicContact CE1-CG2 4.11Å; F240-V251 HydrophobicContact CE2-CG2 4.33Å; F240-V251 HydrophobicContact CG-CG2 4.06Å; F240-V251 HydrophobicContact CZ-CG2 4.27Å |
| 241 | I | 65.3 | Low | 68.5 | Low | 8 Ų | 8 | 47.1 Ų | 47.1 | 4% | 0.041 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.4 | -37.2 | 177.7 | -69.2 | 172.8 | 0 | 0 | 0 | 111.4 | V139 K237 R239 | V139-I241 HydrophobicContact CG1-CG2 4.06Å; K237-I241 HydrophobicContact CD-CD1 4.36Å; K237-I241 HydrophobicContact CG-CD1 3.72Å; K237-I241 HydrophobicContact CG-CG1 4.48Å; K237-I241 WeakPolarHBondContact O-CG1 3.48Å; K237-I241 PolarHBondContact O-N 3.47Å; R239-I241 VanDerWaalsContact C-N 3.34Å; R239-I241 PolarHBondContact O-N 3.15Å |
| 242 | N | 63.3 | Low | 68.7 | Low | 43 Ų | 43 | 51.4 Ų | 51.4 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -85.5 | -13.8 | -175.6 | -159.5 | 56.4 | 0 | 0 | 0 | 114.3 | I43 E46 A143 T238 R239 | I43-N242 HydrophobicContact CG1-CB 4.48Å; I43-N242 WeakPolarHBondContact CG1-ND2 3.27Å; I43-N242 VanDerWaalsContact CG2-ND2 3.33Å; I43-N242 WeakPolarHBondContact CG2-ND2 3.48Å; E46-N242 PolarHBondContact OE2-ND2 3.02Å; A143-N242 WeakPolarHBondContact CB-OD1 3.35Å; T238-N242 WeakPolarHBondContact O-CB 3.47Å; T238-N242 PolarHBondContact O-N 3.3Å; T238-N242 VanDerWaalsContact O-N 3.1Å; R239-N242 PolarHBondContact O-N 3.4Å |
| 243 | S | 61.2 | Low | 68.8 | Low | 11 Ų | 11 | 52.3 Ų | 52.3 | 8% | 0.077 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -69.8 | 139 | -177.7 | -66.3 | 0 | 0 | 0 | 0 | 113.3 | R239 Y248 | R239-S243 WeakPolarHBondContact O-CB 3.3Å; R239-S243 PolarHBondContact O-N 2.94Å; R239-S243 PolarHBondContact O-OG 3.44Å; S243-Y248 WeakPolarHBondContact OG-CD2 3.42Å; S243-Y248 WeakPolarHBondContact OG-CE2 3.15Å |
| 244 | P | 58.9 | Low | 68.8 | Low | 75 Ų | 75 | 50.8 Ų | 50.8 | 49% | 0.487 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -48.2 | 144.1 | 169.5 | -25.1 | 28.8 | 0 | 0 | 0 | 112.8 | G246 Q247 | P244-G246 PolarHBondContact O-N 2.94Å; P244-G246 VanDerWaalsContact O-N 3.11Å; P244-Q247 VanDerWaalsContact CD-OE1 3.23Å; P244-Q247 PolarHBondContact O-N 3.07Å |
| 245 | P | 57.2 | Low | 69 | Low | 115 Ų | 115 | 51.4 Ų | 51.4 | 75% | 0.747 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 119.9 | 175.3 | 22.5 | -30.1 | 0 | 0 | 0 | 110 | ||
| 246 | G | 63 | Low | 69.5 | Low | 80 Ų | 80 | 56.8 Ų | 56.8 | 83% | 0.825 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.5 | -17 | 179 | 0 | 0 | 0 | 0 | 0 | 116.2 | P244 | P244-G246 PolarHBondContact O-N 2.94Å; P244-G246 VanDerWaalsContact O-N 3.11Å |
| 247 | Q | 66.8 | Low | 69.7 | Low | 97 Ų | 97 | 60.5 Ų | 60.5 | 45% | 0.453 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -72.5 | -32.2 | -176.8 | -170 | 167.2 | -3.5 | 0 | 0 | 113.5 | P244 | P244-Q247 VanDerWaalsContact CD-OE1 3.23Å; P244-Q247 PolarHBondContact O-N 3.07Å |
| 248 | Y | 67.8 | Low | 70.1 | Confident | 44 Ų | 44 | 59.8 Ų | 59.8 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | trans | -127.9 | 125.8 | 174.7 | -62.6 | -75.9 | 0 | 0 | 0 | 110.8 | S243 C254 K257 | S243-Y248 WeakPolarHBondContact OG-CD2 3.42Å; S243-Y248 WeakPolarHBondContact OG-CE2 3.15Å; Y248-C254 VanDerWaalsContact CD1-CA 3.42Å; Y248-C254 HydrophobicContact CD1-CB 3.6Å; Y248-C254 HydrophobicContact CD2-CB 4.5Å; Y248-C254 HydrophobicContact CE1-CB 4.02Å; Y248-C254 HydrophobicContact CG-CB 3.85Å; Y248-K257 HydrophobicContact CD1-CD 4.19Å; Y248-K257 HydrophobicContact CE1-CB 4.1Å; Y248-K257 HydrophobicContact CE1-CD 3.83Å | ||
| 249 | R | 65.8 | Low | 70.7 | Confident | 235 Ų | 235 | 63.8 Ų | 63.8 | 89% | 0.887 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -77.5 | -26.3 | -179.4 | -160.4 | 176.5 | 175.6 | -168.4 | -1.3 | 112.7 | ||
| 250 | S | 75.1 | Confident | 71.3 | Confident | 50 Ų | 50 | 68 Ų | 68 | 35% | 0.35 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -162.5 | 161.3 | -178.7 | 62.3 | 0 | 0 | 0 | 0 | 111.4 | N253 C254 | S250-N253 WeakPolarHBondContact O-CB 3.45Å; S250-N253 PolarHBondContact O-N 3.3Å; S250-N253 WeakPolarHBondContact OG-CB 3.24Å; S250-N253 PolarHBondContact OG-N 2.92Å; S250-C254 PolarHBondContact O-N 3.07Å |
| 251 | V | 74.1 | Confident | 71.7 | Confident | 37 Ų | 37 | 72.6 Ų | 72.6 | 22% | 0.224 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -57.2 | -44.4 | 176.4 | 179 | 0 | 0 | 0 | 0 | 112.4 | P179 V236 F240 N253 C254 A255 | P179-V251 HydrophobicContact CB-CG1 4.36Å; P179-V251 HydrophobicContact CB-CG2 4.39Å; P179-V251 HydrophobicContact CG-CG2 4.11Å; V236-V251 HydrophobicContact CG1-CG1 3.71Å; F240-V251 HydrophobicContact CD1-CG2 4.01Å; F240-V251 HydrophobicContact CD2-CG2 4.23Å; F240-V251 HydrophobicContact CE1-CG2 4.11Å; F240-V251 HydrophobicContact CE2-CG2 4.33Å; F240-V251 HydrophobicContact CG-CG2 4.06Å; F240-V251 HydrophobicContact CZ-CG2 4.27Å; V251-N253 VanDerWaalsContact C-N 3.34Å; V251-N253 PolarHBondContact O-N 3.09Å; V251-C254 WeakPolarHBondContact O-CB 3.42Å; V251-C254 PolarHBondContact O-N 2.85Å; V251-A255 PolarHBondContact O-N 3.22Å |
| 252 | P | 78.9 | Confident | 72.2 | Confident | 93 Ų | 93 | 75.2 Ų | 75.2 | 60% | 0.604 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.7 | -35.1 | 177.3 | -20.1 | 33.1 | 0 | 0 | 0 | 113 | C254 A255 M256 | P252-C254 VanDerWaalsContact C-N 3.32Å; P252-C254 PolarHBondContact O-N 2.96Å; P252-A255 PolarHBondContact O-N 3.18Å; P252-M256 WeakPolarHBondContact O-CB 3.37Å; P252-M256 PolarHBondContact O-N 2.78Å |
| 253 | N | 79.4 | Confident | 73 | Confident | 56 Ų | 56 | 74 Ų | 74 | 30% | 0.299 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -66.9 | -35.4 | 175.7 | -175 | 15.8 | 0 | 0 | 0 | 111.5 | S250 V251 K257 | S250-N253 WeakPolarHBondContact O-CB 3.45Å; S250-N253 PolarHBondContact O-N 3.3Å; S250-N253 WeakPolarHBondContact OG-CB 3.24Å; S250-N253 PolarHBondContact OG-N 2.92Å; V251-N253 VanDerWaalsContact C-N 3.34Å; V251-N253 PolarHBondContact O-N 3.09Å; N253-K257 WeakPolarHBondContact O-CB 3.5Å; N253-K257 PolarHBondContact O-N 2.85Å |
| 254 | C | 74.9 | Confident | 73.7 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.4 | -47.9 | 171.5 | -172.6 | 0 | 0 | 0 | 0 | 111.6 | Y248 S250 V251 P252 M256 K257 M258 | Y248-C254 VanDerWaalsContact CD1-CA 3.42Å; Y248-C254 HydrophobicContact CD1-CB 3.6Å; Y248-C254 HydrophobicContact CD2-CB 4.5Å; Y248-C254 HydrophobicContact CE1-CB 4.02Å; Y248-C254 HydrophobicContact CG-CB 3.85Å; S250-C254 PolarHBondContact O-N 3.07Å; V251-C254 WeakPolarHBondContact O-CB 3.42Å; V251-C254 PolarHBondContact O-N 2.85Å; P252-C254 VanDerWaalsContact C-N 3.32Å; P252-C254 PolarHBondContact O-N 2.96Å; C254-M256 PolarHBondContact O-N 3.26Å; C254-K257 PolarHBondContact O-N 3.35Å; C254-M258 WeakPolarHBondContact O-CB 3.32Å; C254-M258 PolarHBondContact O-N 2.99Å |
| 255 | A | 77.7 | Confident | 74.4 | Confident | 29 Ų | 29 | 78.4 Ų | 78.4 | 24% | 0.24 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V236 V251 P252 M258 F259 | V236-A255 HydrophobicContact CG1-CB 4.33Å; V236-A255 HydrophobicContact CG2-CB 4.04Å; V251-A255 PolarHBondContact O-N 3.22Å; P252-A255 PolarHBondContact O-N 3.18Å; A255-M258 PolarHBondContact O-N 3.33Å; A255-F259 PolarHBondContact O-N 2.99Å |
| 256 | M | 79.8 | Confident | 74.9 | Confident | 122 Ų | 122 | 73 Ų | 73 | 60% | 0.601 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.7 | -52 | 178.4 | -172.9 | 64.6 | 85 | 0 | 0 | 111.4 | P252 C254 M258 F259 T260 | P252-M256 WeakPolarHBondContact O-CB 3.37Å; P252-M256 PolarHBondContact O-N 2.78Å; C254-M256 PolarHBondContact O-N 3.26Å; M256-M258 PolarHBondContact O-N 3.44Å; M256-F259 WeakPolarHBondContact O-CB 3.17Å; M256-F259 PolarHBondContact O-N 3.48Å; M256-F259 VanDerWaalsContact O-N 3.08Å; M256-T260 PolarHBondContact O-N 3.11Å; M256-T260 PolarHBondContact O-OG1 3.38Å |
| 257 | K | 78.1 | Confident | 75.3 | Confident | 89 Ų | 89 | 70.5 Ų | 70.5 | 39% | 0.387 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.5 | -37.6 | 176.7 | -86.3 | -175.5 | 177.1 | -176.5 | 0 | 112.7 | Y248 N253 C254 N261 | Y248-K257 HydrophobicContact CD1-CD 4.19Å; Y248-K257 HydrophobicContact CE1-CB 4.1Å; Y248-K257 HydrophobicContact CE1-CD 3.83Å; N253-K257 WeakPolarHBondContact O-CB 3.5Å; N253-K257 PolarHBondContact O-N 2.85Å; C254-K257 PolarHBondContact O-N 3.35Å; K257-N261 VanDerWaalsContact O-CB 3.22Å; K257-N261 WeakPolarHBondContact O-CB 3.35Å; K257-N261 VanDerWaalsContact O-CG 3.25Å; K257-N261 PolarHBondContact O-N 3.03Å; K257-N261 PolarHBondContact O-ND2 2.99Å |
| 258 | M | 78.6 | Confident | 75.5 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.1 | -41.4 | 177.5 | -168.9 | 170 | 73.4 | 0 | 0 | 111.4 | V235 V236 R239 C254 A255 M256 E262 A266 F267 | V235-M258 HydrophobicContact CG1-CE 3.96Å; V235-M258 HydrophobicContact CG1-SD 3.86Å; V236-M258 HydrophobicContact CG2-CE 3.66Å; R239-M258 VanDerWaalsContact CD-SD 3.6Å; C254-M258 WeakPolarHBondContact O-CB 3.32Å; C254-M258 PolarHBondContact O-N 2.99Å; A255-M258 PolarHBondContact O-N 3.33Å; M256-M258 PolarHBondContact O-N 3.44Å; M258-E262 PolarHBondContact O-N 2.83Å; M258-A266 HydrophobicContact CG-CB 4.26Å; M258-F267 HydrophobicContact CB-CZ 4.44Å; M258-F267 HydrophobicContact CE-CD1 3.16Å; M258-F267 HydrophobicContact CE-CD2 4Å; M258-F267 HydrophobicContact CE-CE1 3.04Å; M258-F267 HydrophobicContact CE-CE2 3.88Å; M258-F267 HydrophobicContact CE-CG 3.67Å; M258-F267 HydrophobicContact CE-CZ 3.43Å; M258-F267 VanDerWaalsContact CE-CZ 3.43Å |
| 259 | F | 80.8 | Confident | 75.4 | Confident | 112 Ų | 112 | 74.9 Ų | 74.9 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 175.6 | -173.3 | -95.5 | 0 | 0 | 0 | 112 | A255 M256 G263 P264 F267 | A255-F259 PolarHBondContact O-N 2.99Å; M256-F259 WeakPolarHBondContact O-CB 3.17Å; M256-F259 PolarHBondContact O-N 3.48Å; M256-F259 VanDerWaalsContact O-N 3.08Å; F259-G263 VanDerWaalsContact O-CA 3.32Å; F259-G263 WeakPolarHBondContact O-CA 3.29Å; F259-G263 PolarHBondContact O-N 3.36Å; F259-G263 VanDerWaalsContact O-N 3.16Å; F259-P264 HydrophobicContact CE2-CB 4.13Å; F259-F267 HydrophobicContact CB-CE2 3.98Å; F259-F267 HydrophobicContact CB-CZ 4.07Å; F259-F267 AromaticContact CD2-CE2 3.9Å; F259-F267 HydrophobicContact CD2-CE2 3.9Å; F259-F267 HydrophobicContact CD2-CZ 4.49Å; F259-F267 HydrophobicContact CG-CE2 4.46Å |
| 260 | T | 80.4 | Confident | 75.3 | Confident | 101 Ų | 101 | 64.6 Ų | 64.6 | 62% | 0.62 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -72.2 | -37 | -177.7 | -30.7 | 0 | 0 | 0 | 0 | 113 | M256 | M256-T260 PolarHBondContact O-N 3.11Å; M256-T260 PolarHBondContact O-OG1 3.38Å |
| 261 | N | 79.3 | Confident | 74.9 | Confident | 125 Ų | 125 | 64.4 Ų | 64.4 | 67% | 0.668 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -91.6 | -29.7 | -172.8 | -65.3 | -13.9 | 0 | 0 | 0 | 114.1 | K257 | K257-N261 VanDerWaalsContact O-CB 3.22Å; K257-N261 WeakPolarHBondContact O-CB 3.35Å; K257-N261 VanDerWaalsContact O-CG 3.25Å; K257-N261 PolarHBondContact O-N 3.03Å; K257-N261 PolarHBondContact O-ND2 2.99Å |
| 262 | E | 75.1 | Confident | 74.5 | Confident | 63 Ų | 63 | 67.9 Ų | 67.9 | 29% | 0.294 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -123.7 | -7 | -173.3 | -62.8 | -178.3 | -142.7 | 0 | 0 | 114.2 | R239 M258 A266 | R239-E262 IonicContact CZ-OE1 3.68Å; R239-E262 IonicContact CZ-OE2 3.23Å; R239-E262 IonicContact NH1-OE1 2.72Å; R239-E262 PolarHBondContact NH1-OE1 2.82Å; R239-E262 IonicContact NH1-OE2 3.2Å; R239-E262 IonicContact NH2-OE1 3.57Å; R239-E262 PolarHBondContact NH2-OE1 3.23Å; R239-E262 IonicContact NH2-OE2 2.93Å; R239-E262 PolarHBondContact NH2-OE2 3.44Å; M258-E262 PolarHBondContact O-N 2.83Å; E262-A266 HydrophobicContact CB-CB 3.6Å |
| 263 | G | 79.1 | Confident | 73.9 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | trans | 77.2 | 175.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115 | F259 T265 A266 | F259-G263 VanDerWaalsContact O-CA 3.32Å; F259-G263 WeakPolarHBondContact O-CA 3.29Å; F259-G263 PolarHBondContact O-N 3.36Å; F259-G263 VanDerWaalsContact O-N 3.16Å; G263-T265 VanDerWaalsContact C-N 3.29Å; G263-T265 PolarHBondContact O-N 2.85Å; G263-A266 WeakPolarHBondContact O-CB 3.47Å; G263-A266 PolarHBondContact O-N 2.88Å | ||
| 264 | P | 76.3 | Confident | 73.2 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 51% | 0.513 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -66.8 | -26.5 | -174.6 | 25 | -33.6 | 0 | 0 | 0 | 113.6 | F259 A266 F267 | F259-P264 HydrophobicContact CE2-CB 4.13Å; P264-A266 PolarHBondContact O-N 3.32Å; P264-F267 WeakPolarHBondContact O-CD2 3.42Å; P264-F267 PolarHBondContact O-N 3.01Å |
| 265 | T | 73.6 | Confident | 72.9 | Confident | 99 Ų | 99 | 66.8 Ų | 66.8 | 61% | 0.607 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -67 | -19.7 | 177.4 | 50.4 | 0 | 0 | 0 | 0 | 113.1 | G263 F267 F268 K269 | G263-T265 VanDerWaalsContact C-N 3.29Å; G263-T265 PolarHBondContact O-N 2.85Å; T265-F267 VanDerWaalsContact C-N 3.28Å; T265-F267 PolarHBondContact O-N 3.43Å; T265-F268 PolarHBondContact O-N 3.33Å; T265-K269 PolarHBondContact O-N 2.85Å |
| 266 | A | 69 | Low | 72.5 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -65.8 | -30.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M258 E262 G263 P264 F268 K269 | M258-A266 HydrophobicContact CG-CB 4.26Å; E262-A266 HydrophobicContact CB-CB 3.6Å; G263-A266 WeakPolarHBondContact O-CB 3.47Å; G263-A266 PolarHBondContact O-N 2.88Å; P264-A266 PolarHBondContact O-N 3.32Å; A266-F268 PolarHBondContact O-N 3.09Å; A266-K269 WeakPolarHBondContact O-CB 3.35Å; A266-K269 PolarHBondContact O-N 2.73Å |
| 267 | F | 71.4 | Confident | 72 | Confident | 29 Ų | 29 | 66.9 Ų | 66.9 | 13% | 0.127 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -69.1 | -21.9 | 178.5 | -67 | -93.4 | 0 | 0 | 0 | 113.3 | P232 V235 V236 M258 F259 P264 T265 | P232-F267 HydrophobicContact CB-CB 4.15Å; P232-F267 HydrophobicContact CB-CD1 3.88Å; P232-F267 HydrophobicContact CB-CG 4.42Å; P232-F267 HydrophobicContact CG-CB 4.45Å; V235-F267 WeakPolarHBondContact CG2-O 3.43Å; V236-F267 HydrophobicContact CG2-CD1 4.27Å; V236-F267 HydrophobicContact CG2-CE1 3.88Å; M258-F267 HydrophobicContact CB-CZ 4.44Å; M258-F267 HydrophobicContact CE-CD1 3.16Å; M258-F267 HydrophobicContact CE-CD2 4Å; M258-F267 HydrophobicContact CE-CE1 3.04Å; M258-F267 HydrophobicContact CE-CE2 3.88Å; M258-F267 HydrophobicContact CE-CG 3.67Å; M258-F267 HydrophobicContact CE-CZ 3.43Å; M258-F267 VanDerWaalsContact CE-CZ 3.43Å; F259-F267 HydrophobicContact CB-CE2 3.98Å; F259-F267 HydrophobicContact CB-CZ 4.07Å; F259-F267 AromaticContact CD2-CE2 3.9Å; F259-F267 HydrophobicContact CD2-CE2 3.9Å; F259-F267 HydrophobicContact CD2-CZ 4.49Å; F259-F267 HydrophobicContact CG-CE2 4.46Å; P264-F267 WeakPolarHBondContact O-CD2 3.42Å; P264-F267 PolarHBondContact O-N 3.01Å; T265-F267 VanDerWaalsContact C-N 3.28Å; T265-F267 PolarHBondContact O-N 3.43Å |
| 268 | F | 70.8 | Confident | 71.4 | Confident | 107 Ų | 107 | 64.8 Ų | 64.8 | 47% | 0.469 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -100.4 | -2.2 | 178.3 | -65.1 | -81.1 | 0 | 0 | 0 | 113.1 | T265 A266 G270 L271 | T265-F268 PolarHBondContact O-N 3.33Å; A266-F268 PolarHBondContact O-N 3.09Å; F268-G270 PolarHBondContact O-N 3.05Å; F268-L271 HydrophobicContact CD1-CD2 4.31Å; F268-L271 WeakPolarHBondContact O-CB 3.31Å; F268-L271 PolarHBondContact O-N 2.96Å |
| 269 | K | 65.2 | Low | 70.9 | Confident | 125 Ų | 125 | 66.2 Ų | 66.2 | 54% | 0.543 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 109.6 | 172.9 | -75.4 | -179.7 | -178.1 | 168.8 | 0 | 109.1 | T265 A266 | T265-K269 PolarHBondContact O-N 2.85Å; A266-K269 WeakPolarHBondContact O-CB 3.35Å; A266-K269 PolarHBondContact O-N 2.73Å |
| 270 | G | 63.4 | Low | 70.5 | Confident | 20 Ų | 20 | 62.2 Ų | 62.2 | 21% | 0.206 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 106.7 | 2.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | F268 P273 S274 | F268-G270 PolarHBondContact O-N 3.05Å; G270-P273 WeakPolarHBondContact O-CD 3.35Å; G270-S274 VanDerWaalsContact O-CB 3.28Å; G270-S274 WeakPolarHBondContact O-CB 3.26Å; G270-S274 PolarHBondContact O-N 3.25Å; G270-S274 PolarHBondContact O-OG 3.34Å |
| 271 | L | 67.1 | Low | 70.2 | Confident | 45 Ų | 45 | 60.1 Ų | 60.1 | 24% | 0.236 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -57.4 | -50.9 | 172.9 | 179.3 | 70.5 | 0 | 0 | 0 | 111.3 | T227 S231 F268 S274 F275 | T227-L271 HydrophobicContact CG2-CD1 4.44Å; S231-L271 WeakPolarHBondContact OG-CD1 3.48Å; F268-L271 HydrophobicContact CD1-CD2 4.31Å; F268-L271 WeakPolarHBondContact O-CB 3.31Å; F268-L271 PolarHBondContact O-N 2.96Å; L271-S274 WeakPolarHBondContact O-CA 3.42Å; L271-S274 WeakPolarHBondContact O-CB 3.27Å; L271-S274 PolarHBondContact O-N 3.31Å; L271-F275 WeakPolarHBondContact O-CB 3.45Å; L271-F275 PolarHBondContact O-N 2.91Å |
| 272 | V | 66.6 | Low | 69.7 | Low | 111 Ų | 111 | 56.7 Ų | 56.7 | 67% | 0.673 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.5 | -50.9 | -179.9 | 173.6 | 0 | 0 | 0 | 0 | 112.1 | S274 F275 L276 | V272-S274 VanDerWaalsContact C-N 3.27Å; V272-S274 PolarHBondContact O-N 3.43Å; V272-F275 PolarHBondContact O-N 2.99Å; V272-L276 WeakPolarHBondContact O-CB 3.49Å; V272-L276 PolarHBondContact O-N 3.14Å |
| 273 | P | 64.7 | Low | 69.6 | Low | 24 Ų | 24 | 58.1 Ų | 58.1 | 16% | 0.156 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56 | -38.3 | 171.1 | -25 | 29.3 | 0 | 0 | 0 | 113.9 | V58 G270 R277 | V58-P273 HydrophobicContact CG2-CB 3.68Å; V58-P273 HydrophobicContact CG2-CG 3.63Å; G270-P273 WeakPolarHBondContact O-CD 3.35Å; P273-R277 WeakPolarHBondContact O-CB 3.45Å; P273-R277 PolarHBondContact O-N 3Å |
| 274 | S | 66.1 | Low | 69.4 | Low | 7 Ų | 7 | 59.1 Ų | 59.1 | 5% | 0.049 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.8 | -43.6 | -179.2 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | K38 G270 L271 V272 L278 | K38-S274 WeakPolarHBondContact CE-OG 3.15Å; K38-S274 PolarHBondContact NZ-OG 3.43Å; G270-S274 VanDerWaalsContact O-CB 3.28Å; G270-S274 WeakPolarHBondContact O-CB 3.26Å; G270-S274 PolarHBondContact O-N 3.25Å; G270-S274 PolarHBondContact O-OG 3.34Å; L271-S274 WeakPolarHBondContact O-CA 3.42Å; L271-S274 WeakPolarHBondContact O-CB 3.27Å; L271-S274 PolarHBondContact O-N 3.31Å; V272-S274 VanDerWaalsContact C-N 3.27Å; V272-S274 PolarHBondContact O-N 3.43Å; S274-L278 WeakPolarHBondContact O-CB 3.07Å; S274-L278 PolarHBondContact O-N 2.64Å |
| 275 | F | 69.1 | Low | 69.4 | Low | 94 Ų | 94 | 57.5 Ų | 57.5 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.8 | -46 | 176.5 | -178.3 | -107.5 | 0 | 0 | 0 | 111.3 | F224 L271 V272 R277 L278 G279 | F224-F275 HydrophobicContact CB-CE2 4.43Å; F224-F275 AromaticContact CD2-CD2 3.78Å; F224-F275 HydrophobicContact CD2-CD2 3.78Å; F224-F275 AromaticContact CD2-CE2 3.49Å; F224-F275 HydrophobicContact CD2-CE2 3.49Å; F224-F275 VanDerWaalsContact CD2-CE2 3.49Å; F224-F275 AromaticContact CD2-CZ 4Å; F224-F275 HydrophobicContact CD2-CZ 4Å; F224-F275 HydrophobicContact CE2-CD2 4.29Å; F224-F275 HydrophobicContact CE2-CE2 4.25Å; F224-F275 HydrophobicContact CG-CE2 4.43Å; L271-F275 WeakPolarHBondContact O-CB 3.45Å; L271-F275 PolarHBondContact O-N 2.91Å; V272-F275 PolarHBondContact O-N 2.99Å; F275-R277 VanDerWaalsContact C-N 3.28Å; F275-R277 PolarHBondContact O-N 2.92Å; F275-L278 PolarHBondContact O-N 2.85Å; F275-L278 VanDerWaalsContact O-N 3.15Å; F275-G279 PolarHBondContact O-N 2.89Å |
| 276 | L | 68.1 | Low | 69.3 | Low | 96 Ų | 96 | 58.5 Ų | 58.5 | 50% | 0.503 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.7 | -41.4 | 177.9 | -158.6 | 107.6 | 0 | 0 | 0 | 111.4 | V272 S280 | V272-L276 WeakPolarHBondContact O-CB 3.49Å; V272-L276 PolarHBondContact O-N 3.14Å; L276-S280 VanDerWaalsContact O-CB 3.29Å; L276-S280 WeakPolarHBondContact O-CB 3.15Å; L276-S280 PolarHBondContact O-N 3.03Å; L276-S280 PolarHBondContact O-OG 3.35Å |
| 277 | R | 68.9 | Low | 69.6 | Low | 57 Ų | 57 | 62.1 Ų | 62.1 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64 | -45.3 | 174.8 | -175.1 | -159.6 | 90.2 | 88.7 | 4.1 | 112 | D35 P273 F275 S280 W281 | D35-R277 WeakPolarHBondContact OD1-CD 3.5Å; D35-R277 WeakPolarHBondContact OD1-CG 3.43Å; D35-R277 IonicContact OD1-CZ 3.69Å; D35-R277 IonicContact OD1-NE 3.82Å; D35-R277 IonicContact OD1-NH1 3.07Å; D35-R277 PolarHBondContact OD1-NH1 3.43Å; D35-R277 IonicContact OD2-NH1 2.78Å; P273-R277 WeakPolarHBondContact O-CB 3.45Å; P273-R277 PolarHBondContact O-N 3Å; F275-R277 VanDerWaalsContact C-N 3.28Å; F275-R277 PolarHBondContact O-N 2.92Å; R277-S280 WeakPolarHBondContact CA-OG 3.2Å; R277-S280 PolarHBondContact O-OG 3.11Å; R277-W281 WeakPolarHBondContact O-CB 3.47Å; R277-W281 PolarHBondContact O-N 2.71Å |
| 278 | L | 66.6 | Low | 69.7 | Low | 46 Ų | 46 | 61.9 Ų | 61.9 | 24% | 0.241 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 178.9 | -152.6 | 100.7 | 0 | 0 | 0 | 110.8 | S274 F275 W281 N282 | S274-L278 WeakPolarHBondContact O-CB 3.07Å; S274-L278 PolarHBondContact O-N 2.64Å; F275-L278 PolarHBondContact O-N 2.85Å; F275-L278 VanDerWaalsContact O-N 3.15Å; L278-W281 PolarHBondContact O-N 3.01Å; L278-N282 WeakPolarHBondContact O-CB 3.39Å; L278-N282 PolarHBondContact O-N 3.29Å |
| 279 | G | 67.3 | Low | 69.9 | Low | 31 Ų | 31 | 59 Ų | 59 | 32% | 0.32 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.2 | -50.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F275 W281 N282 V283 | F275-G279 PolarHBondContact O-N 2.89Å; G279-W281 VanDerWaalsContact C-N 3.33Å; G279-W281 PolarHBondContact O-N 3.42Å; G279-N282 PolarHBondContact O-N 2.97Å; G279-V283 VanDerWaalsContact O-CG2 3.29Å; G279-V283 WeakPolarHBondContact O-CG2 3.4Å; G279-V283 PolarHBondContact O-N 2.94Å |
| 280 | S | 72.1 | Confident | 70.3 | Confident | 28 Ų | 28 | 59 Ų | 59 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 178.6 | 62.7 | 0 | 0 | 0 | 0 | 112.1 | L276 R277 I284 | L276-S280 VanDerWaalsContact O-CB 3.29Å; L276-S280 WeakPolarHBondContact O-CB 3.15Å; L276-S280 PolarHBondContact O-N 3.03Å; L276-S280 PolarHBondContact O-OG 3.35Å; R277-S280 WeakPolarHBondContact CA-OG 3.2Å; R277-S280 PolarHBondContact O-OG 3.11Å; S280-I284 WeakPolarHBondContact O-CB 3.12Å; S280-I284 VanDerWaalsContact O-CD1 3.29Å; S280-I284 WeakPolarHBondContact O-CD1 3.22Å; S280-I284 WeakPolarHBondContact O-CG1 3.2Å; S280-I284 PolarHBondContact O-N 3.48Å |
| 281 | W | 74.6 | Confident | 71.1 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 22% | 0.216 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 179.7 | -176.6 | 90.9 | 0 | 0 | 0 | 111.6 | A24 D28 T31 R277 L278 G279 I284 M285 | A24-W281 HydrophobicContact CB-CZ2 4.44Å; D28-W281 PolarHBondContact OD1-NE1 2.91Å; T31-W281 HydrophobicContact CG2-CB 4.2Å; R277-W281 WeakPolarHBondContact O-CB 3.47Å; R277-W281 PolarHBondContact O-N 2.71Å; L278-W281 PolarHBondContact O-N 3.01Å; G279-W281 VanDerWaalsContact C-N 3.33Å; G279-W281 PolarHBondContact O-N 3.42Å; W281-I284 PolarHBondContact O-N 3.03Å; W281-M285 HydrophobicContact CH2-CG 4.49Å; W281-M285 HydrophobicContact CH2-SD 3.43Å; W281-M285 WeakPolarHBondContact CH2-SD 3.42Å; W281-M285 HydrophobicContact CZ2-SD 4.16Å; W281-M285 HydrophobicContact CZ3-SD 3.69Å; W281-M285 VanDerWaalsContact O-CB 3.3Å; W281-M285 WeakPolarHBondContact O-CB 3.45Å; W281-M285 PolarHBondContact O-N 3.23Å |
| 282 | N | 69.9 | Low | 71.6 | Confident | 54 Ų | 54 | 63 Ų | 63 | 29% | 0.289 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.7 | -48.5 | 177.3 | -82.2 | -20.2 | 0 | 0 | 0 | 111.5 | L278 G279 I284 M285 F286 | L278-N282 WeakPolarHBondContact O-CB 3.39Å; L278-N282 PolarHBondContact O-N 3.29Å; G279-N282 PolarHBondContact O-N 2.97Å; N282-I284 VanDerWaalsContact C-N 3.35Å; N282-I284 PolarHBondContact O-N 3.22Å; N282-M285 PolarHBondContact O-N 3.25Å; N282-F286 VanDerWaalsContact O-CD2 3.28Å; N282-F286 WeakPolarHBondContact O-CD2 3.28Å; N282-F286 PolarHBondContact O-N 2.91Å |
| 283 | V | 72.2 | Confident | 71.9 | Confident | 93 Ų | 93 | 62.4 Ų | 62.4 | 56% | 0.564 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59 | -47.3 | -179.9 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | G279 F286 V287 | G279-V283 VanDerWaalsContact O-CG2 3.29Å; G279-V283 WeakPolarHBondContact O-CG2 3.4Å; G279-V283 PolarHBondContact O-N 2.94Å; V283-F286 PolarHBondContact O-N 3.17Å; V283-V287 HydrophobicContact CG1-CG2 4.46Å; V283-V287 WeakPolarHBondContact O-CB 3.41Å; V283-V287 VanDerWaalsContact O-CG2 3.27Å; V283-V287 WeakPolarHBondContact O-CG2 3.4Å; V283-V287 PolarHBondContact O-N 3.4Å |
| 284 | I | 75.2 | Confident | 72.5 | Confident | 39 Ų | 39 | 68.6 Ų | 68.6 | 20% | 0.2 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.2 | -42.6 | -179.3 | -65 | 162.1 | 0 | 0 | 0 | 110.9 | A27 I30 T31 S280 W281 N282 F286 V287 C288 | A27-I284 HydrophobicContact CB-CB 4.28Å; A27-I284 HydrophobicContact CB-CG2 3.86Å; I30-I284 HydrophobicContact CB-CD1 4.3Å; I30-I284 HydrophobicContact CB-CG2 4.46Å; I30-I284 HydrophobicContact CD1-CG2 3.82Å; I30-I284 HydrophobicContact CG2-CD1 3.68Å; T31-I284 HydrophobicContact CG2-CD1 3.64Å; S280-I284 WeakPolarHBondContact O-CB 3.12Å; S280-I284 VanDerWaalsContact O-CD1 3.29Å; S280-I284 WeakPolarHBondContact O-CD1 3.22Å; S280-I284 WeakPolarHBondContact O-CG1 3.2Å; S280-I284 PolarHBondContact O-N 3.48Å; W281-I284 PolarHBondContact O-N 3.03Å; N282-I284 VanDerWaalsContact C-N 3.35Å; N282-I284 PolarHBondContact O-N 3.22Å; I284-F286 PolarHBondContact O-N 3.43Å; I284-V287 PolarHBondContact O-N 3.24Å; I284-C288 WeakPolarHBondContact O-CB 3.42Å; I284-C288 PolarHBondContact O-N 2.94Å; I284-C288 PolarHBondContact O-SG 3.5Å; I284-C288 VanDerWaalsContact O-SG 3.36Å |
| 285 | M | 75.1 | Confident | 73.1 | Confident | 45 Ų | 45 | 73 Ų | 73 | 22% | 0.222 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.6 | -49 | 176.8 | -178 | -163.3 | 168.2 | 0 | 0 | 111.3 | A27 W281 N282 C288 F289 | A27-M285 HydrophobicContact CB-CB 4.12Å; W281-M285 HydrophobicContact CH2-CG 4.49Å; W281-M285 HydrophobicContact CH2-SD 3.43Å; W281-M285 WeakPolarHBondContact CH2-SD 3.42Å; W281-M285 HydrophobicContact CZ2-SD 4.16Å; W281-M285 HydrophobicContact CZ3-SD 3.69Å; W281-M285 VanDerWaalsContact O-CB 3.3Å; W281-M285 WeakPolarHBondContact O-CB 3.45Å; W281-M285 PolarHBondContact O-N 3.23Å; N282-M285 PolarHBondContact O-N 3.25Å; M285-C288 PolarHBondContact O-N 3.39Å; M285-F289 VanDerWaalsContact O-CB 3.26Å; M285-F289 WeakPolarHBondContact O-CB 3.21Å; M285-F289 PolarHBondContact O-N 3.05Å |
| 286 | F | 72.4 | Confident | 73.3 | Confident | 120 Ų | 120 | 72.4 Ų | 72.4 | 53% | 0.526 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.2 | -45.4 | -179.3 | -88.4 | -72.6 | 0 | 0 | 0 | 112 | N282 V283 I284 C288 F289 E290 | N282-F286 VanDerWaalsContact O-CD2 3.28Å; N282-F286 WeakPolarHBondContact O-CD2 3.28Å; N282-F286 PolarHBondContact O-N 2.91Å; V283-F286 PolarHBondContact O-N 3.17Å; I284-F286 PolarHBondContact O-N 3.43Å; F286-C288 PolarHBondContact O-N 2.67Å; F286-F289 PolarHBondContact O-N 3.21Å; F286-E290 WeakPolarHBondContact O-CG 3.2Å; F286-E290 PolarHBondContact O-N 3.24Å |
| 287 | V | 74.3 | Confident | 73.5 | Confident | 76 Ų | 76 | 70.9 Ų | 70.9 | 46% | 0.461 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.2 | -47.4 | 176.7 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | V283 I284 F289 E290 Q291 | V283-V287 HydrophobicContact CG1-CG2 4.46Å; V283-V287 WeakPolarHBondContact O-CB 3.41Å; V283-V287 VanDerWaalsContact O-CG2 3.27Å; V283-V287 WeakPolarHBondContact O-CG2 3.4Å; V283-V287 PolarHBondContact O-N 3.4Å; I284-V287 PolarHBondContact O-N 3.24Å; V287-F289 VanDerWaalsContact C-N 3.32Å; V287-F289 PolarHBondContact O-N 3.11Å; V287-E290 PolarHBondContact O-N 2.74Å; V287-Q291 HydrophobicContact CG1-CG 4.49Å; V287-Q291 VanDerWaalsContact O-CG 3.25Å; V287-Q291 WeakPolarHBondContact O-CG 3.2Å; V287-Q291 PolarHBondContact O-N 3.3Å |
| 288 | C | 75.3 | Confident | 73.8 | Confident | 25 Ų | 25 | 72.1 Ų | 72.1 | 17% | 0.169 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 177.2 | -74.1 | 0 | 0 | 0 | 0 | 112.1 | A23 I284 M285 F286 L292 | A23-C288 HydrophobicContact CB-CB 3.81Å; I284-C288 WeakPolarHBondContact O-CB 3.42Å; I284-C288 PolarHBondContact O-N 2.94Å; I284-C288 PolarHBondContact O-SG 3.5Å; I284-C288 VanDerWaalsContact O-SG 3.36Å; M285-C288 PolarHBondContact O-N 3.39Å; F286-C288 PolarHBondContact O-N 2.67Å; C288-L292 WeakPolarHBondContact O-CB 3.27Å; C288-L292 WeakPolarHBondContact O-CD1 3.41Å; C288-L292 WeakPolarHBondContact O-CG 3.47Å; C288-L292 PolarHBondContact O-N 3.3Å |
| 289 | F | 73.4 | Confident | 74 | Confident | 47 Ų | 47 | 73.4 Ų | 73.4 | 21% | 0.206 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.2 | -45 | 178.1 | 178.3 | -103.4 | 0 | 0 | 0 | 112.3 | A20 A23 M285 F286 V287 L292 K293 | A20-F289 HydrophobicContact CB-CD2 4.13Å; A20-F289 HydrophobicContact CB-CE2 4.13Å; A23-F289 HydrophobicContact CB-CB 4.1Å; M285-F289 VanDerWaalsContact O-CB 3.26Å; M285-F289 WeakPolarHBondContact O-CB 3.21Å; M285-F289 PolarHBondContact O-N 3.05Å; F286-F289 PolarHBondContact O-N 3.21Å; V287-F289 VanDerWaalsContact C-N 3.32Å; V287-F289 PolarHBondContact O-N 3.11Å; F289-L292 PolarHBondContact O-N 3.04Å; F289-K293 WeakPolarHBondContact O-CB 3.33Å; F289-K293 PolarHBondContact O-N 2.87Å |
| 290 | E | 74.1 | Confident | 73.8 | Confident | 125 Ų | 125 | 78.1 Ų | 78.1 | 58% | 0.584 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64 | -42 | 177.7 | -75.7 | -173.7 | 168.1 | 0 | 0 | 112.3 | F286 V287 K293 R294 | F286-E290 WeakPolarHBondContact O-CG 3.2Å; F286-E290 PolarHBondContact O-N 3.24Å; V287-E290 PolarHBondContact O-N 2.74Å; E290-K293 PolarHBondContact O-N 3.29Å; E290-R294 WeakPolarHBondContact O-CB 3.47Å; E290-R294 PolarHBondContact O-N 3.4Å |
| 291 | Q | 79.6 | Confident | 73.4 | Confident | 96 Ų | 96 | 83.5 Ų | 83.5 | 45% | 0.449 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 176.6 | -64.2 | -62.8 | -12.1 | 0 | 0 | 111.3 | V287 K293 R294 E295 | V287-Q291 HydrophobicContact CG1-CG 4.49Å; V287-Q291 VanDerWaalsContact O-CG 3.25Å; V287-Q291 WeakPolarHBondContact O-CG 3.2Å; V287-Q291 PolarHBondContact O-N 3.3Å; Q291-K293 PolarHBondContact O-N 3.21Å; Q291-R294 PolarHBondContact O-N 2.84Å; Q291-E295 WeakPolarHBondContact O-CG 3.31Å; Q291-E295 PolarHBondContact O-N 3.27Å |
| 292 | L | 77.6 | Confident | 73 | Confident | 52 Ų | 52 | 85.4 Ų | 85.4 | 27% | 0.272 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 175 | -86.8 | 158.4 | 0 | 0 | 0 | 112 | I22 A23 C288 F289 E295 L296 | I22-L292 HydrophobicContact CB-CD1 4.3Å; I22-L292 HydrophobicContact CG2-CD1 4.02Å; A23-L292 HydrophobicContact CB-CD1 4.04Å; C288-L292 WeakPolarHBondContact O-CB 3.27Å; C288-L292 WeakPolarHBondContact O-CD1 3.41Å; C288-L292 WeakPolarHBondContact O-CG 3.47Å; C288-L292 PolarHBondContact O-N 3.3Å; F289-L292 PolarHBondContact O-N 3.04Å; L292-E295 PolarHBondContact O-N 3.18Å; L292-L296 WeakPolarHBondContact O-CB 3.38Å; L292-L296 VanDerWaalsContact O-CG 3.3Å; L292-L296 WeakPolarHBondContact O-CG 3.3Å; L292-L296 PolarHBondContact O-N 3.47Å |
| 293 | K | 72.9 | Confident | 72.4 | Confident | 99 Ų | 99 | 89.2 Ų | 89.2 | 43% | 0.43 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 176.6 | -173.5 | -179.5 | 176 | -172.8 | 0 | 111 | F289 E290 Q291 E295 L296 S297 | F289-K293 WeakPolarHBondContact O-CB 3.33Å; F289-K293 PolarHBondContact O-N 2.87Å; E290-K293 PolarHBondContact O-N 3.29Å; Q291-K293 PolarHBondContact O-N 3.21Å; K293-E295 PolarHBondContact O-N 2.87Å; K293-L296 PolarHBondContact O-N 3.48Å; K293-S297 PolarHBondContact O-N 3.03Å; K293-S297 PolarHBondContact O-OG 3.41Å; K293-S297 VanDerWaalsContact O-OG 3.1Å |
| 294 | R | 77.6 | Confident | 71.9 | Confident | 154 Ų | 154 | 89.9 Ų | 89.9 | 58% | 0.581 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.6 | -43.5 | 179.1 | -171 | 179.1 | -176.1 | -167.6 | 2.3 | 112.1 | E290 Q291 S297 K298 | E290-R294 WeakPolarHBondContact O-CB 3.47Å; E290-R294 PolarHBondContact O-N 3.4Å; Q291-R294 PolarHBondContact O-N 2.84Å; R294-S297 PolarHBondContact O-N 3.46Å; R294-K298 WeakPolarHBondContact O-CG 3.31Å; R294-K298 PolarHBondContact O-N 3.41Å; R294-K298 VanDerWaalsContact O-N 3.08Å |
| 295 | E | 78 | Confident | 70.9 | Confident | 100 Ų | 100 | 93.5 Ų | 93.5 | 47% | 0.467 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.6 | -39.4 | 178.2 | -69.4 | -54.3 | 130.4 | 0 | 0 | 112.4 | Q291 L292 K293 S297 K298 S299 | Q291-E295 WeakPolarHBondContact O-CG 3.31Å; Q291-E295 PolarHBondContact O-N 3.27Å; L292-E295 PolarHBondContact O-N 3.18Å; K293-E295 PolarHBondContact O-N 2.87Å; E295-S297 PolarHBondContact O-N 2.96Å; E295-K298 PolarHBondContact O-N 3.43Å; E295-K298 IonicContact OE1-NZ 2.74Å; E295-K298 PolarHBondContact OE1-NZ 3.44Å; E295-S299 WeakPolarHBondContact O-CB 3.45Å; E295-S299 PolarHBondContact O-N 3.29Å |
| 296 | L | 73.5 | Confident | 69.9 | Low | 80 Ų | 80 | 95.5 Ų | 95.5 | 42% | 0.419 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 174.4 | -73.4 | 167.1 | 0 | 0 | 0 | 112.3 | I15 L292 K293 S299 R300 | I15-L296 HydrophobicContact CG2-CD1 3.8Å; L292-L296 WeakPolarHBondContact O-CB 3.38Å; L292-L296 VanDerWaalsContact O-CG 3.3Å; L292-L296 WeakPolarHBondContact O-CG 3.3Å; L292-L296 PolarHBondContact O-N 3.47Å; K293-L296 PolarHBondContact O-N 3.48Å; L296-S299 PolarHBondContact O-N 3.43Å; L296-R300 PolarHBondContact O-N 3.07Å |
| 297 | S | 73.3 | Confident | 68.7 | Low | 65 Ų | 65 | 98 Ų | 98 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 174.9 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | K293 R294 E295 R300 Q301 | K293-S297 PolarHBondContact O-N 3.03Å; K293-S297 PolarHBondContact O-OG 3.41Å; K293-S297 VanDerWaalsContact O-OG 3.1Å; R294-S297 PolarHBondContact O-N 3.46Å; E295-S297 PolarHBondContact O-N 2.96Å; S297-R300 PolarHBondContact O-N 3.06Å; S297-Q301 WeakPolarHBondContact O-CG 3.28Å; S297-Q301 PolarHBondContact O-N 3.3Å; S297-Q301 VanDerWaalsContact O-N 3.16Å |
| 298 | K | 74.6 | Confident | 68.4 | Low | 82 Ų | 82 | 99.2 Ų | 99.2 | 36% | 0.357 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 174.4 | -72.2 | 173.5 | -174.9 | 170.1 | 0 | 111.5 | R294 E295 R300 Q301 T302 | R294-K298 WeakPolarHBondContact O-CG 3.31Å; R294-K298 PolarHBondContact O-N 3.41Å; R294-K298 VanDerWaalsContact O-N 3.08Å; E295-K298 PolarHBondContact O-N 3.43Å; E295-K298 IonicContact OE1-NZ 2.74Å; E295-K298 PolarHBondContact OE1-NZ 3.44Å; K298-R300 PolarHBondContact O-N 2.94Å; K298-Q301 PolarHBondContact O-N 3.48Å; K298-T302 PolarHBondContact O-N 3.37Å; K298-T302 PolarHBondContact O-OG1 3.17Å |
| 299 | S | 70.2 | Confident | 68 | Low | 73 Ų | 73 | 103.1 Ų | 103.1 | 51% | 0.51 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64 | -30.9 | -177.7 | -155.2 | 0 | 0 | 0 | 0 | 112.6 | E295 L296 M303 | E295-S299 WeakPolarHBondContact O-CB 3.45Å; E295-S299 PolarHBondContact O-N 3.29Å; L296-S299 PolarHBondContact O-N 3.43Å; S299-M303 PolarHBondContact O-N 2.6Å |
| 300 | R | 64.8 | Low | 67.7 | Low | 131 Ų | 131 | 106.2 Ų | 106.2 | 49% | 0.494 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.3 | -42.9 | 173.8 | -164.9 | 174.7 | -166.7 | 176.3 | 4.7 | 112.2 | L296 S297 K298 T302 M303 D304 | L296-R300 PolarHBondContact O-N 3.07Å; S297-R300 PolarHBondContact O-N 3.06Å; K298-R300 PolarHBondContact O-N 2.94Å; R300-T302 VanDerWaalsContact C-N 3.28Å; R300-T302 PolarHBondContact O-N 2.93Å; R300-M303 PolarHBondContact O-N 2.88Å; R300-M303 VanDerWaalsContact O-N 3.16Å; R300-D304 PolarHBondContact O-N 2.98Å |
| 301 | Q | 62.8 | Low | 67.3 | Low | 140 Ų | 140 | 105.1 Ų | 105.1 | 65% | 0.654 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60 | -37.5 | 173.8 | -74.8 | 177.5 | -22.5 | 0 | 0 | 112.3 | S297 K298 C305 | S297-Q301 WeakPolarHBondContact O-CG 3.28Å; S297-Q301 PolarHBondContact O-N 3.3Å; S297-Q301 VanDerWaalsContact O-N 3.16Å; K298-Q301 PolarHBondContact O-N 3.48Å; Q301-C305 VanDerWaalsContact O-CB 3.28Å; Q301-C305 WeakPolarHBondContact O-CB 3.13Å; Q301-C305 PolarHBondContact O-N 2.89Å |
| 302 | T | 66.8 | Low | 66.6 | Low | 97 Ų | 97 | 105.6 Ų | 105.6 | 60% | 0.595 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.4 | -35.7 | 176.1 | -43.8 | 0 | 0 | 0 | 0 | 112.5 | K298 R300 A306 | K298-T302 PolarHBondContact O-N 3.37Å; K298-T302 PolarHBondContact O-OG1 3.17Å; R300-T302 VanDerWaalsContact C-N 3.28Å; R300-T302 PolarHBondContact O-N 2.93Å; T302-A306 WeakPolarHBondContact O-CB 3.34Å; T302-A306 PolarHBondContact O-N 3.43Å |
| 303 | M | 56.8 | Low | 65.8 | Low | 134 Ų | 134 | 109.2 Ų | 109.2 | 66% | 0.66 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.2 | -43.2 | 175.2 | -81.5 | -179.3 | 60.4 | 0 | 0 | 112.5 | S299 R300 C305 A306 T307 | S299-M303 PolarHBondContact O-N 2.6Å; R300-M303 PolarHBondContact O-N 2.88Å; R300-M303 VanDerWaalsContact O-N 3.16Å; M303-C305 PolarHBondContact O-N 3.28Å; M303-A306 PolarHBondContact O-N 3.2Å; M303-A306 VanDerWaalsContact O-N 3.16Å; M303-T307 PolarHBondContact O-N 3.43Å; M303-T307 PolarHBondContact O-OG1 3.21Å |
| 304 | D | 61.8 | Low | 65.3 | Low | 108 Ų | 108 | 109.9 Ų | 109.9 | 58% | 0.578 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.8 | -26.2 | 179.1 | -66.1 | -23.3 | 0 | 0 | 0 | 111.9 | R300 | R300-D304 PolarHBondContact O-N 2.98Å |
| 305 | C | 53.8 | Low | 64.4 | Low | 114 Ų | 114 | 106.5 Ų | 106.5 | 77% | 0.77 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -11.3 | 175.7 | -158.6 | 0 | 0 | 0 | 0 | 113.6 | Q301 M303 | Q301-C305 VanDerWaalsContact O-CB 3.28Å; Q301-C305 WeakPolarHBondContact O-CB 3.13Å; Q301-C305 PolarHBondContact O-N 2.89Å; M303-C305 PolarHBondContact O-N 3.28Å |
| 306 | A | 54.6 | Low | 63.2 | Low | 87 Ų | 87 | 107.1 Ų | 107.1 | 72% | 0.719 | 61% | 0.607 | S | S | * | * | trans | -100.5 | 0.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T302 M303 | T302-A306 WeakPolarHBondContact O-CB 3.34Å; T302-A306 PolarHBondContact O-N 3.43Å; M303-A306 PolarHBondContact O-N 3.2Å; M303-A306 VanDerWaalsContact O-N 3.16Å | ||
| 307 | T | 46.1 | Very low | 62.3 | Low | 174 Ų | 174 | 109.5 Ų | 109.5 | 100% | 1.067 | 62% | 0.624 | S | S | * | * | trans | -111.5 | 0 | 178.9 | -39.7 | 0 | 0 | 0 | 0 | 109.8 | M303 | M303-T307 PolarHBondContact O-N 3.43Å; M303-T307 PolarHBondContact O-OG1 3.21Å |
Retrieved 307 of 307 residues in 50.8 ms
(Link to these results)