| 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 | 53.1 | Low | 60.9 | Low | 226 Ų | 226 | 109.8 Ų | 109.8 | 100% | 1.113 | 60% | 0.597 | S | S | * | * | 0 | -11.6 | 0 | -86.1 | 160 | 110.8 | 0 | 0 | 114.2 | |||||
| 2 | S | 58.4 | Low | 61.7 | Low | 78 Ų | 78 | 116.1 Ų | 116.1 | 55% | 0.545 | 61% | 0.606 | S | S | . | * | trans | -79.7 | -38.3 | 177.1 | 70 | 0 | 0 | 0 | 0 | 114.2 | H4 N5 D6 | S2-H4 PolarHBondContact O-N 3.46Å; S2-N5 PolarHBondContact O-N 3.29Å; S2-D6 PolarHBondContact O-N 3.24Å | ||
| 3 | N | 57.2 | Low | 62.4 | Low | 137 Ų | 137 | 119.4 Ų | 119.4 | 73% | 0.733 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59.2 | -21.3 | -178.3 | -68.4 | -2.8 | 0 | 0 | 0 | 115.2 | ||
| 4 | H | 57.7 | Low | 63.1 | Low | 129 Ų | 129 | 117.9 Ų | 117.9 | 60% | 0.597 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -83.3 | -28.1 | 178 | -158.8 | -19.3 | 0 | 0 | 0 | 112.4 | S2 S7 I8 | S2-H4 PolarHBondContact O-N 3.46Å; H4-S7 PolarHBondContact O-OG 3.4Å; H4-S7 VanDerWaalsContact O-OG 3.11Å; H4-I8 WeakPolarHBondContact O-CD1 3.29Å; H4-I8 VanDerWaalsContact O-CG1 3.32Å; H4-I8 WeakPolarHBondContact O-CG1 3.43Å; H4-I8 PolarHBondContact O-N 3.45Å |
| 5 | N | 58 | Low | 63.7 | Low | 96 Ų | 96 | 114.3 Ų | 114.3 | 51% | 0.513 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -76.4 | -33.8 | 178 | -73.2 | -10.3 | 0 | 0 | 0 | 111.3 | S2 S7 I8 H9 | S2-N5 PolarHBondContact O-N 3.29Å; N5-S7 PolarHBondContact O-N 3.12Å; N5-I8 PolarHBondContact O-N 3.49Å; N5-H9 PolarHBondContact O-CD2 2.89Å; N5-H9 VanDerWaalsContact O-CD2 3.31Å; N5-H9 PolarHBondContact O-N 3.05Å |
| 6 | D | 58.6 | Low | 64.5 | Low | 101 Ų | 101 | 115.2 Ų | 115.2 | 54% | 0.54 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.2 | -37.6 | 178.8 | -61.4 | -29.1 | 0 | 0 | 0 | 112 | S2 H9 C10 | S2-D6 PolarHBondContact O-N 3.24Å; D6-H9 PolarHBondContact O-N 3.36Å; D6-C10 WeakPolarHBondContact O-CB 3.45Å; D6-C10 PolarHBondContact O-N 3.17Å |
| 7 | S | 62.5 | Low | 64.8 | Low | 56 Ų | 56 | 111.8 Ų | 111.8 | 39% | 0.392 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.8 | -35.7 | 176.8 | 73.2 | 0 | 0 | 0 | 0 | 112.6 | H4 N5 T11 | H4-S7 PolarHBondContact O-OG 3.4Å; H4-S7 VanDerWaalsContact O-OG 3.11Å; N5-S7 PolarHBondContact O-N 3.12Å; S7-T11 WeakPolarHBondContact O-CB 3.35Å; S7-T11 PolarHBondContact O-N 2.76Å; S7-T11 PolarHBondContact O-OG1 3.37Å |
| 8 | I | 64.1 | Low | 64.9 | Low | 75 Ų | 75 | 112.1 Ų | 112.1 | 39% | 0.385 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.4 | -42.2 | 176.6 | -66.5 | 167.9 | 0 | 0 | 0 | 110.5 | H4 N5 T11 R12 | H4-I8 WeakPolarHBondContact O-CD1 3.29Å; H4-I8 VanDerWaalsContact O-CG1 3.32Å; H4-I8 WeakPolarHBondContact O-CG1 3.43Å; H4-I8 PolarHBondContact O-N 3.45Å; N5-I8 PolarHBondContact O-N 3.49Å; I8-T11 PolarHBondContact O-N 3.4Å; I8-R12 WeakPolarHBondContact O-CG 3.44Å; I8-R12 PolarHBondContact O-N 3.46Å |
| 9 | H | 63.1 | Low | 65.1 | Low | 136 Ų | 136 | 112.6 Ų | 112.6 | 63% | 0.63 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.7 | -44.8 | 175.4 | -87.1 | -75.6 | 0 | 0 | 0 | 112.2 | N5 D6 T11 R12 Y13 | N5-H9 PolarHBondContact O-CD2 2.89Å; N5-H9 VanDerWaalsContact O-CD2 3.31Å; N5-H9 PolarHBondContact O-N 3.05Å; D6-H9 PolarHBondContact O-N 3.36Å; H9-T11 VanDerWaalsContact C-N 3.33Å; H9-T11 PolarHBondContact O-N 3.19Å; H9-R12 PolarHBondContact O-N 2.98Å; H9-Y13 WeakPolarHBondContact O-CB 3.41Å; H9-Y13 PolarHBondContact O-N 3.01Å |
| 10 | C | 66.1 | Low | 65.2 | Low | 87 Ų | 87 | 112.6 Ų | 112.6 | 59% | 0.588 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60 | -43.5 | 176.8 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | D6 Y13 H14 | D6-C10 WeakPolarHBondContact O-CB 3.45Å; D6-C10 PolarHBondContact O-N 3.17Å; C10-Y13 PolarHBondContact O-N 3.24Å; C10-H14 WeakPolarHBondContact O-CB 3.21Å; C10-H14 PolarHBondContact O-N 2.95Å |
| 11 | T | 71 | Confident | 65 | Low | 87 Ų | 87 | 112.4 Ų | 112.4 | 53% | 0.534 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.1 | -40.5 | 179.5 | -51.7 | 0 | 0 | 0 | 0 | 111.9 | S7 I8 H9 T15 | S7-T11 WeakPolarHBondContact O-CB 3.35Å; S7-T11 PolarHBondContact O-N 2.76Å; S7-T11 PolarHBondContact O-OG1 3.37Å; I8-T11 PolarHBondContact O-N 3.4Å; H9-T11 VanDerWaalsContact C-N 3.33Å; H9-T11 PolarHBondContact O-N 3.19Å; T11-T15 WeakPolarHBondContact O-CB 3.5Å; T11-T15 PolarHBondContact O-N 3.4Å; T11-T15 PolarHBondContact O-OG1 2.98Å |
| 12 | R | 71 | Confident | 65.4 | Low | 185 Ų | 185 | 108.1 Ų | 108.1 | 70% | 0.698 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.2 | -40 | 176.2 | -73.7 | -178.7 | 83.1 | 164.1 | 5.1 | 112.3 | I8 H9 T15 F16 | I8-R12 WeakPolarHBondContact O-CG 3.44Å; I8-R12 PolarHBondContact O-N 3.46Å; H9-R12 PolarHBondContact O-N 2.98Å; R12-T15 PolarHBondContact O-N 2.97Å; R12-F16 WeakPolarHBondContact O-CB 3.39Å; R12-F16 PolarHBondContact O-N 3.48Å |
| 13 | Y | 70.3 | Confident | 65.4 | Low | 159 Ų | 159 | 112.9 Ų | 112.9 | 62% | 0.624 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.5 | -46.5 | 175.6 | -175.7 | -104.3 | 0 | 0 | 0 | 111.5 | H9 C10 T15 F16 I17 | H9-Y13 WeakPolarHBondContact O-CB 3.41Å; H9-Y13 PolarHBondContact O-N 3.01Å; C10-Y13 PolarHBondContact O-N 3.24Å; Y13-T15 VanDerWaalsContact C-N 3.32Å; Y13-T15 PolarHBondContact O-N 2.98Å; Y13-F16 PolarHBondContact O-N 3.42Å; Y13-I17 HydrophobicContact CD1-CD1 3.69Å; Y13-I17 HydrophobicContact CD1-CG1 4.46Å; Y13-I17 HydrophobicContact CE1-CD1 3.14Å; Y13-I17 HydrophobicContact CE1-CG1 4.19Å; Y13-I17 HydrophobicContact CE2-CD1 4.23Å; Y13-I17 HydrophobicContact CG-CD1 4.43Å; Y13-I17 VanDerWaalsContact CZ-CD1 3.45Å; Y13-I17 WeakPolarHBondContact O-CG1 3.22Å; Y13-I17 PolarHBondContact O-N 2.92Å |
| 14 | H | 73 | Confident | 65.4 | Low | 98 Ų | 98 | 109.9 Ų | 109.9 | 45% | 0.454 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 177.4 | -167.8 | 69.5 | 0 | 0 | 0 | 112.5 | C10 K18 | C10-H14 WeakPolarHBondContact O-CB 3.21Å; C10-H14 PolarHBondContact O-N 2.95Å; H14-K18 WeakPolarHBondContact NE2-CE 3.43Å; H14-K18 PolarHBondContact NE2-NZ 3.27Å; H14-K18 WeakPolarHBondContact O-CB 3.38Å; H14-K18 WeakPolarHBondContact O-CG 3.49Å; H14-K18 PolarHBondContact O-N 3.28Å |
| 15 | T | 71.6 | Confident | 65.2 | Low | 65 Ų | 65 | 107.3 Ų | 107.3 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69 | -40.7 | 175.8 | -51.9 | 0 | 0 | 0 | 0 | 111.6 | T11 R12 Y13 K18 Q19 | T11-T15 WeakPolarHBondContact O-CB 3.5Å; T11-T15 PolarHBondContact O-N 3.4Å; T11-T15 PolarHBondContact O-OG1 2.98Å; R12-T15 PolarHBondContact O-N 2.97Å; Y13-T15 VanDerWaalsContact C-N 3.32Å; Y13-T15 PolarHBondContact O-N 2.98Å; T15-K18 PolarHBondContact O-N 2.84Å; T15-Q19 WeakPolarHBondContact O-CB 3.35Å; T15-Q19 WeakPolarHBondContact O-CG 3.27Å; T15-Q19 PolarHBondContact O-N 3.44Å |
| 16 | F | 76.2 | Confident | 65 | Low | 128 Ų | 128 | 105 Ų | 105 | 56% | 0.561 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.6 | -44.3 | 175.2 | 179.9 | -99.2 | 0 | 0 | 0 | 111.7 | R12 Y13 Q19 F20 | R12-F16 WeakPolarHBondContact O-CB 3.39Å; R12-F16 PolarHBondContact O-N 3.48Å; Y13-F16 PolarHBondContact O-N 3.42Å; F16-Q19 PolarHBondContact O-N 3.2Å; F16-F20 WeakPolarHBondContact O-CB 3.15Å; F16-F20 PolarHBondContact O-N 3Å |
| 17 | I | 70.1 | Confident | 64.8 | Low | 58 Ų | 58 | 105.8 Ų | 105.8 | 30% | 0.297 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 173.8 | -74.4 | 179.7 | 0 | 0 | 0 | 110.7 | Y13 Q19 F20 I21 | Y13-I17 HydrophobicContact CD1-CD1 3.69Å; Y13-I17 HydrophobicContact CD1-CG1 4.46Å; Y13-I17 HydrophobicContact CE1-CD1 3.14Å; Y13-I17 HydrophobicContact CE1-CG1 4.19Å; Y13-I17 HydrophobicContact CE2-CD1 4.23Å; Y13-I17 HydrophobicContact CG-CD1 4.43Å; Y13-I17 VanDerWaalsContact CZ-CD1 3.45Å; Y13-I17 WeakPolarHBondContact O-CG1 3.22Å; Y13-I17 PolarHBondContact O-N 2.92Å; I17-Q19 VanDerWaalsContact C-N 3.29Å; I17-Q19 PolarHBondContact O-N 3.43Å; I17-F20 PolarHBondContact O-N 3.03Å; I17-F20 VanDerWaalsContact O-N 3.15Å; I17-I21 HydrophobicContact CG2-CD1 3.49Å; I17-I21 VanDerWaalsContact CG2-CD1 3.49Å; I17-I21 HydrophobicContact CG2-CG1 4.18Å; I17-I21 WeakPolarHBondContact O-CB 3.29Å; I17-I21 VanDerWaalsContact O-CG1 3.23Å; I17-I21 WeakPolarHBondContact O-CG1 3.04Å; I17-I21 PolarHBondContact O-N 3.26Å |
| 18 | K | 66.9 | Low | 64.7 | Low | 116 Ų | 116 | 110.2 Ų | 110.2 | 50% | 0.504 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 177.8 | -83 | 178 | 164 | 166.9 | 0 | 112.2 | H14 T15 H22 | H14-K18 WeakPolarHBondContact NE2-CE 3.43Å; H14-K18 PolarHBondContact NE2-NZ 3.27Å; H14-K18 WeakPolarHBondContact O-CB 3.38Å; H14-K18 WeakPolarHBondContact O-CG 3.49Å; H14-K18 PolarHBondContact O-N 3.28Å; T15-K18 PolarHBondContact O-N 2.84Å; K18-H22 WeakPolarHBondContact O-CB 3.27Å; K18-H22 PolarHBondContact O-N 3.49Å |
| 19 | Q | 68.1 | Low | 64.8 | Low | 123 Ų | 123 | 114.9 Ų | 114.9 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.4 | -39.4 | 174.3 | -78.1 | 178.2 | -5.9 | 0 | 0 | 112.2 | T15 F16 I17 H22 F23 | T15-Q19 WeakPolarHBondContact O-CB 3.35Å; T15-Q19 WeakPolarHBondContact O-CG 3.27Å; T15-Q19 PolarHBondContact O-N 3.44Å; F16-Q19 PolarHBondContact O-N 3.2Å; I17-Q19 VanDerWaalsContact C-N 3.29Å; I17-Q19 PolarHBondContact O-N 3.43Å; Q19-H22 PolarHBondContact O-N 2.85Å; Q19-F23 WeakPolarHBondContact O-CB 3.33Å; Q19-F23 PolarHBondContact O-N 3.09Å |
| 20 | F | 66.6 | Low | 65.1 | Low | 111 Ų | 111 | 111.7 Ų | 111.7 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.2 | -39.4 | 176.9 | -160.8 | -100.7 | 0 | 0 | 0 | 111.5 | F16 I17 F23 I24 | F16-F20 WeakPolarHBondContact O-CB 3.15Å; F16-F20 PolarHBondContact O-N 3Å; I17-F20 PolarHBondContact O-N 3.03Å; I17-F20 VanDerWaalsContact O-N 3.15Å; F20-F23 PolarHBondContact O-N 3.33Å; F20-I24 HydrophobicContact CD1-CD1 3.81Å; F20-I24 HydrophobicContact CD1-CG1 4.44Å; F20-I24 HydrophobicContact CE1-CD1 3.33Å; F20-I24 HydrophobicContact CE1-CG1 4.27Å; F20-I24 HydrophobicContact CZ-CD1 3.88Å; F20-I24 WeakPolarHBondContact O-CB 3.18Å; F20-I24 WeakPolarHBondContact O-CG1 3.48Å; F20-I24 PolarHBondContact O-N 3.4Å |
| 21 | I | 62.5 | Low | 65.6 | Low | 109 Ų | 109 | 111 Ų | 111 | 56% | 0.559 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.1 | -38.3 | 171.7 | -68.2 | 169.7 | 0 | 0 | 0 | 111 | I17 I24 | I17-I21 HydrophobicContact CG2-CD1 3.49Å; I17-I21 VanDerWaalsContact CG2-CD1 3.49Å; I17-I21 HydrophobicContact CG2-CG1 4.18Å; I17-I21 WeakPolarHBondContact O-CB 3.29Å; I17-I21 VanDerWaalsContact O-CG1 3.23Å; I17-I21 WeakPolarHBondContact O-CG1 3.04Å; I17-I21 PolarHBondContact O-N 3.26Å; I21-I24 CarbonylContact O-C 3.57Å |
| 22 | H | 59.9 | Low | 66 | Low | 137 Ų | 137 | 110.7 Ų | 110.7 | 63% | 0.634 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -73.3 | -32.4 | 174.2 | -106 | -73.5 | 0 | 0 | 0 | 113.2 | K18 Q19 H25 | K18-H22 WeakPolarHBondContact O-CB 3.27Å; K18-H22 PolarHBondContact O-N 3.49Å; Q19-H22 PolarHBondContact O-N 2.85Å; H22-H25 WeakPolarHBondContact O-CB 3.48Å; H22-H25 PolarHBondContact O-N 3.37Å |
| 23 | F | 59.3 | Low | 66.4 | Low | 178 Ų | 178 | 103.4 Ų | 103.4 | 78% | 0.781 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -69.8 | -44.6 | 176.8 | -178.1 | -98.5 | 0 | 0 | 0 | 110.4 | Q19 F20 H25 | Q19-F23 WeakPolarHBondContact O-CB 3.33Å; Q19-F23 PolarHBondContact O-N 3.09Å; F20-F23 PolarHBondContact O-N 3.33Å; F23-H25 PolarHBondContact O-N 3.41Å |
| 24 | I | 56.6 | Low | 66.9 | Low | 74 Ų | 74 | 96.3 Ų | 96.3 | 38% | 0.379 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -82.5 | 66.4 | 164.8 | -51.9 | 179.4 | 0 | 0 | 0 | 108 | F20 I21 L26 | F20-I24 HydrophobicContact CD1-CD1 3.81Å; F20-I24 HydrophobicContact CD1-CG1 4.44Å; F20-I24 HydrophobicContact CE1-CD1 3.33Å; F20-I24 HydrophobicContact CE1-CG1 4.27Å; F20-I24 HydrophobicContact CZ-CD1 3.88Å; F20-I24 WeakPolarHBondContact O-CB 3.18Å; F20-I24 WeakPolarHBondContact O-CG1 3.48Å; F20-I24 PolarHBondContact O-N 3.4Å; I21-I24 CarbonylContact O-C 3.57Å; I24-L26 HydrophobicContact CB-CD1 4.48Å; I24-L26 HydrophobicContact CG2-CB 4.48Å; I24-L26 HydrophobicContact CG2-CD1 3.3Å; I24-L26 HydrophobicContact CG2-CG 3.7Å; I24-L26 PolarHBondContact O-N 3.17Å |
| 25 | H | 53.4 | Low | 67.4 | Low | 75 Ų | 75 | 91.8 Ų | 91.8 | 35% | 0.347 | 44% | 0.442 | S | S | . | . | trans | -64.6 | 56.4 | 178.9 | -156.8 | -61.4 | 0 | 0 | 0 | 112.4 | H22 F23 T27 K28 | H22-H25 WeakPolarHBondContact O-CB 3.48Å; H22-H25 PolarHBondContact O-N 3.37Å; F23-H25 PolarHBondContact O-N 3.41Å; H25-T27 PolarHBondContact CE1-OG1 3.45Å; H25-T27 VanDerWaalsContact CE1-OG1 3.23Å; H25-T27 PolarHBondContact ND1-OG1 3.15Å; H25-T27 PolarHBondContact O-N 3.18Å; H25-T27 VanDerWaalsContact O-N 3.11Å; H25-K28 WeakPolarHBondContact ND1-CG 2.99Å; H25-K28 WeakPolarHBondContact O-CB 3.14Å; H25-K28 PolarHBondContact O-N 2.83Å | ||
| 26 | L | 55.2 | Low | 68.1 | Low | 47 Ų | 47 | 91.7 Ų | 91.7 | 25% | 0.246 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -56 | -25.9 | -180 | -99.5 | 154 | 0 | 0 | 0 | 111.5 | I24 K28 W29 L32 C33 L36 | I24-L26 HydrophobicContact CB-CD1 4.48Å; I24-L26 HydrophobicContact CG2-CB 4.48Å; I24-L26 HydrophobicContact CG2-CD1 3.3Å; I24-L26 HydrophobicContact CG2-CG 3.7Å; I24-L26 PolarHBondContact O-N 3.17Å; L26-K28 PolarHBondContact O-N 2.97Å; L26-K28 VanDerWaalsContact O-N 3.1Å; L26-W29 CarbonylContact O-C 3.53Å; L26-W29 PolarHBondContact O-N 3.05Å; L26-L32 HydrophobicContact CD2-CB 4.28Å; L26-L32 HydrophobicContact CD2-CD2 4Å; L26-L32 HydrophobicContact CD2-CG 3.99Å; L26-C33 VanDerWaalsContact C-SG 3.52Å; L26-C33 VanDerWaalsContact CB-SG 3.59Å; L26-C33 HydrophobicContact CD2-CB 4.4Å; L26-C33 VanDerWaalsContact CD2-SG 3.52Å; L26-C33 PolarHBondContact O-SG 3.48Å; L26-L36 HydrophobicContact CD1-CD1 3.88Å; L26-L36 HydrophobicContact CD2-CD1 3.53Å; L26-L36 HydrophobicContact CG-CD1 4.32Å |
| 27 | T | 53.8 | Low | 68.6 | Low | 117 Ų | 117 | 87.8 Ų | 87.8 | 72% | 0.718 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -60.6 | -15.1 | 170.7 | 40.2 | 0 | 0 | 0 | 0 | 115.1 | H25 | H25-T27 PolarHBondContact CE1-OG1 3.45Å; H25-T27 VanDerWaalsContact CE1-OG1 3.23Å; H25-T27 PolarHBondContact ND1-OG1 3.15Å; H25-T27 PolarHBondContact O-N 3.18Å; H25-T27 VanDerWaalsContact O-N 3.11Å |
| 28 | K | 59.7 | Low | 69.5 | Low | 150 Ų | 150 | 85 Ų | 85 | 65% | 0.652 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -78.4 | -20.4 | 171.5 | -93.5 | 177.4 | -179 | -174.5 | 0 | 113.2 | H25 L26 | H25-K28 WeakPolarHBondContact ND1-CG 2.99Å; H25-K28 WeakPolarHBondContact O-CB 3.14Å; H25-K28 PolarHBondContact O-N 2.83Å; L26-K28 PolarHBondContact O-N 2.97Å; L26-K28 VanDerWaalsContact O-N 3.1Å |
| 29 | W | 65.8 | Low | 70.7 | Confident | 173 Ų | 173 | 81.9 Ų | 81.9 | 66% | 0.655 | 40% | 0.396 | S | S | * | . | trans | -132.3 | 79.5 | -174.5 | -60.7 | 97 | 0 | 0 | 0 | 109.2 | L26 F31 L32 C33 | L26-W29 CarbonylContact O-C 3.53Å; L26-W29 PolarHBondContact O-N 3.05Å; W29-F31 PolarHBondContact O-N 3.18Å; W29-L32 HydrophobicContact CB-CB 3.77Å; W29-L32 WeakPolarHBondContact O-CB 3.41Å; W29-L32 PolarHBondContact O-N 3.5Å; W29-C33 PolarHBondContact O-N 3.44Å | ||
| 30 | P | 70.2 | Confident | 71.8 | Confident | 69 Ų | 69 | 79.7 Ų | 79.7 | 45% | 0.448 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -55.1 | -38.6 | -179.5 | 21.5 | -32.7 | 0 | 0 | 0 | 111.5 | L32 C33 D34 | P30-L32 VanDerWaalsContact C-N 3.31Å; P30-L32 PolarHBondContact O-N 3.42Å; P30-C33 WeakPolarHBondContact O-CA 3.3Å; P30-C33 VanDerWaalsContact O-CB 3.29Å; P30-C33 WeakPolarHBondContact O-CB 3.39Å; P30-C33 PolarHBondContact O-N 2.81Å; P30-D34 PolarHBondContact O-N 2.82Å |
| 31 | F | 77.5 | Confident | 73 | Confident | 71 Ų | 71 | 74.4 Ų | 74.4 | 31% | 0.311 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.5 | -40.1 | 173.8 | 173.3 | -112.6 | 0 | 0 | 0 | 114.1 | W29 C33 C35 Y153 P156 Y157 | W29-F31 PolarHBondContact O-N 3.18Å; F31-C33 VanDerWaalsContact C-N 3.32Å; F31-C35 WeakPolarHBondContact CE2-SG 3.5Å; F31-C35 WeakPolarHBondContact CZ-SG 3.49Å; F31-C35 VanDerWaalsContact O-CB 3.24Å; F31-C35 WeakPolarHBondContact O-CB 3.45Å; F31-C35 PolarHBondContact O-N 3.34Å; F31-C35 PolarHBondContact O-SG 3.48Å; F31-Y153 AromaticContact CD2-CD1 3.52Å; F31-Y153 HydrophobicContact CD2-CD1 3.52Å; F31-Y153 AromaticContact CD2-CE1 3.49Å; F31-Y153 HydrophobicContact CD2-CE1 3.49Å; F31-Y153 VanDerWaalsContact CD2-CE1 3.49Å; F31-Y153 AromaticContact CE2-CD1 3.34Å; F31-Y153 HydrophobicContact CE2-CD1 3.34Å; F31-Y153 AromaticContact CE2-CE1 3.8Å; F31-Y153 HydrophobicContact CE2-CE1 3.8Å; F31-Y153 HydrophobicContact CE2-CG 4.46Å; F31-Y153 HydrophobicContact CG-CE1 4.31Å; F31-Y153 HydrophobicContact CZ-CD1 4.31Å; F31-P156 HydrophobicContact CE2-CB 4.35Å; F31-P156 HydrophobicContact CZ-CB 3.59Å; F31-P156 HydrophobicContact CZ-CG 3.85Å; F31-Y157 HydrophobicContact CD2-CE2 4.48Å; F31-Y157 HydrophobicContact CE2-CD2 4.41Å; F31-Y157 AromaticContact CE2-CE2 3.98Å; F31-Y157 HydrophobicContact CE2-CE2 3.98Å |
| 32 | L | 77.8 | Confident | 74.5 | Confident | 82 Ų | 82 | 69.5 Ų | 69.5 | 43% | 0.429 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.5 | -32.9 | 178 | -173.8 | 67.2 | 0 | 0 | 0 | 111 | L26 W29 P30 C35 L36 | L26-L32 HydrophobicContact CD2-CB 4.28Å; L26-L32 HydrophobicContact CD2-CD2 4Å; L26-L32 HydrophobicContact CD2-CG 3.99Å; W29-L32 HydrophobicContact CB-CB 3.77Å; W29-L32 WeakPolarHBondContact O-CB 3.41Å; W29-L32 PolarHBondContact O-N 3.5Å; P30-L32 VanDerWaalsContact C-N 3.31Å; P30-L32 PolarHBondContact O-N 3.42Å; L32-C35 WeakPolarHBondContact O-CB 3.37Å; L32-L36 WeakPolarHBondContact O-CB 3.16Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.32Å; L32-L36 PolarHBondContact O-N 3.37Å |
| 33 | C | 80.1 | Confident | 76.2 | Confident | 32 Ų | 32 | 63.5 Ų | 63.5 | 22% | 0.216 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.9 | -50.7 | 173.8 | -59.7 | 0 | 0 | 0 | 0 | 110.9 | L26 W29 P30 F31 C35 L36 N37 | L26-C33 VanDerWaalsContact C-SG 3.52Å; L26-C33 VanDerWaalsContact CB-SG 3.59Å; L26-C33 HydrophobicContact CD2-CB 4.4Å; L26-C33 VanDerWaalsContact CD2-SG 3.52Å; L26-C33 PolarHBondContact O-SG 3.48Å; W29-C33 PolarHBondContact O-N 3.44Å; P30-C33 WeakPolarHBondContact O-CA 3.3Å; P30-C33 VanDerWaalsContact O-CB 3.29Å; P30-C33 WeakPolarHBondContact O-CB 3.39Å; P30-C33 PolarHBondContact O-N 2.81Å; F31-C33 VanDerWaalsContact C-N 3.32Å; C33-C35 VanDerWaalsContact C-N 3.27Å; C33-C35 PolarHBondContact O-N 3.05Å; C33-L36 PolarHBondContact O-N 2.95Å; C33-L36 VanDerWaalsContact O-N 3.1Å; C33-N37 VanDerWaalsContact O-CG 3.26Å; C33-N37 PolarHBondContact O-N 3.22Å; C33-N37 PolarHBondContact O-ND2 3.17Å |
| 34 | D | 80.4 | Confident | 77.9 | Confident | 10 Ų | 10 | 57 Ų | 57 | 5% | 0.053 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 179.1 | -57.8 | -25.6 | 0 | 0 | 0 | 110.9 | P30 L36 N37 E38 H128 S132 Y157 | P30-D34 PolarHBondContact O-N 2.82Å; D34-L36 PolarHBondContact O-N 3.48Å; D34-N37 WeakPolarHBondContact O-CB 3.49Å; D34-N37 PolarHBondContact O-N 3.36Å; D34-E38 WeakPolarHBondContact O-CG 3.43Å; D34-E38 PolarHBondContact O-N 2.87Å; D34-H128 IonicContact OD2-CE1 3.8Å; D34-H128 IonicContact OD2-CG 3.73Å; D34-H128 IonicContact OD2-ND1 2.83Å; D34-H128 PolarHBondContact OD2-ND1 2.91Å; D34-S132 WeakPolarHBondContact CA-OG 3.31Å; D34-S132 WeakPolarHBondContact CB-OG 3.46Å; D34-S132 PolarHBondContact OD1-OG 3.1Å; D34-Y157 HydrophobicContact CB-CE2 4.32Å; D34-Y157 WeakPolarHBondContact CB-OH 3.42Å |
| 35 | C | 84.6 | Confident | 79.6 | Confident | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.3 | -45.4 | 173.4 | -83.8 | 0 | 0 | 0 | 0 | 113.3 | F31 L32 C33 E38 F39 L160 | F31-C35 WeakPolarHBondContact CE2-SG 3.5Å; F31-C35 WeakPolarHBondContact CZ-SG 3.49Å; F31-C35 VanDerWaalsContact O-CB 3.24Å; F31-C35 WeakPolarHBondContact O-CB 3.45Å; F31-C35 PolarHBondContact O-N 3.34Å; F31-C35 PolarHBondContact O-SG 3.48Å; L32-C35 WeakPolarHBondContact O-CB 3.37Å; C33-C35 VanDerWaalsContact C-N 3.27Å; C33-C35 PolarHBondContact O-N 3.05Å; C35-E38 PolarHBondContact O-N 3.17Å; C35-F39 PolarHBondContact O-N 3.13Å; C35-L160 HydrophobicContact CB-CD1 3.23Å |
| 36 | L | 85.3 | Confident | 81.7 | Confident | 62 Ų | 62 | 52.4 Ų | 52.4 | 33% | 0.325 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.3 | -35.6 | 176.5 | -74.3 | 179.4 | 0 | 0 | 0 | 112 | L26 L32 C33 D34 F39 I40 | L26-L36 HydrophobicContact CD1-CD1 3.88Å; L26-L36 HydrophobicContact CD2-CD1 3.53Å; L26-L36 HydrophobicContact CG-CD1 4.32Å; L32-L36 WeakPolarHBondContact O-CB 3.16Å; L32-L36 VanDerWaalsContact O-CG 3.31Å; L32-L36 WeakPolarHBondContact O-CG 3.32Å; L32-L36 PolarHBondContact O-N 3.37Å; C33-L36 PolarHBondContact O-N 2.95Å; C33-L36 VanDerWaalsContact O-N 3.1Å; D34-L36 PolarHBondContact O-N 3.48Å; L36-F39 WeakPolarHBondContact O-CB 3.31Å; L36-F39 PolarHBondContact O-N 3.21Å; L36-I40 WeakPolarHBondContact O-CB 3.46Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.32Å; L36-I40 PolarHBondContact O-N 3.14Å |
| 37 | N | 86.8 | Confident | 83.6 | Confident | 46 Ų | 46 | 52 Ų | 52 | 25% | 0.246 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 175.3 | -71.5 | -17.8 | 0 | 0 | 0 | 111.3 | C33 D34 G41 S93 | C33-N37 VanDerWaalsContact O-CG 3.26Å; C33-N37 PolarHBondContact O-N 3.22Å; C33-N37 PolarHBondContact O-ND2 3.17Å; D34-N37 WeakPolarHBondContact O-CB 3.49Å; D34-N37 PolarHBondContact O-N 3.36Å; N37-G41 PolarHBondContact O-N 3.44Å; N37-S93 WeakPolarHBondContact CB-O 3.4Å; N37-S93 PolarHBondContact ND2-O 3.19Å; N37-S93 WeakPolarHBondContact O-CB 3.36Å; N37-S93 PolarHBondContact O-OG 2.97Å |
| 38 | E | 88.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 172.9 | -73.6 | -64.4 | 148.2 | 0 | 0 | 111.4 | D34 C35 T42 G133 L134 L135 Y157 Q161 | D34-E38 WeakPolarHBondContact O-CG 3.43Å; D34-E38 PolarHBondContact O-N 2.87Å; C35-E38 PolarHBondContact O-N 3.17Å; E38-T42 VanDerWaalsContact O-CB 3.24Å; E38-T42 WeakPolarHBondContact O-CB 3.4Å; E38-T42 PolarHBondContact O-N 3.24Å; E38-T42 PolarHBondContact O-OG1 3.23Å; E38-G133 WeakPolarHBondContact OE1-CA 3.22Å; E38-G133 PolarHBondContact OE1-N 3.31Å; E38-L134 PolarHBondContact OE1-N 2.91Å; E38-L135 WeakPolarHBondContact OE2-CA 3.37Å; E38-L135 PolarHBondContact OE2-N 3.26Å; E38-Y157 HydrophobicContact CG-CD1 3.92Å; E38-Y157 HydrophobicContact CG-CE1 4Å; E38-Y157 HydrophobicContact CG-CG 4.24Å; E38-Q161 HydrophobicContact CB-CG 4.31Å; E38-Q161 PolarHBondContact OE2-NE2 3.03Å |
| 39 | F | 91.8 | Very high | 87.1 | Confident | 51 Ų | 51 | 44.1 Ų | 44.1 | 22% | 0.224 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -55.1 | 177 | 173.4 | -99.3 | 0 | 0 | 0 | 112 | C35 L36 T42 T43 L160 F163 L167 | C35-F39 PolarHBondContact O-N 3.13Å; L36-F39 WeakPolarHBondContact O-CB 3.31Å; L36-F39 PolarHBondContact O-N 3.21Å; F39-T42 PolarHBondContact O-N 3.12Å; F39-T43 PolarHBondContact O-N 3.48Å; F39-T43 PolarHBondContact O-OG1 3.01Å; F39-T43 VanDerWaalsContact O-OG1 3.14Å; F39-L160 HydrophobicContact CB-CB 4.39Å; F39-L160 WeakPolarHBondContact CD2-O 3.37Å; F39-F163 HydrophobicContact CD2-CB 4.14Å; F39-F163 HydrophobicContact CE2-CB 3.91Å; F39-L167 HydrophobicContact CE1-CD2 4.1Å; F39-L167 HydrophobicContact CE2-CD2 4.46Å; F39-L167 HydrophobicContact CZ-CB 4.5Å; F39-L167 HydrophobicContact CZ-CD2 3.54Å |
| 40 | I | 91.7 | Very high | 88.5 | Confident | 76 Ų | 76 | 36 Ų | 36 | 39% | 0.39 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.2 | -46.6 | -177.2 | -67.1 | 169.3 | 0 | 0 | 0 | 110.7 | L36 T42 T43 I44 I92 | L36-I40 WeakPolarHBondContact O-CB 3.46Å; L36-I40 VanDerWaalsContact O-CG1 3.28Å; L36-I40 WeakPolarHBondContact O-CG1 3.32Å; L36-I40 PolarHBondContact O-N 3.14Å; I40-T42 VanDerWaalsContact C-N 3.29Å; I40-T42 PolarHBondContact O-N 3.41Å; I40-T43 PolarHBondContact O-N 3.46Å; I40-I44 HydrophobicContact CG2-CD1 3.96Å; I40-I44 WeakPolarHBondContact O-CG1 3.26Å; I40-I44 PolarHBondContact O-N 3.48Å; I40-I44 VanDerWaalsContact O-N 3.08Å; I40-I92 HydrophobicContact CG2-CG2 3.97Å |
| 41 | G | 92 | Very high | 89.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.2 | -39.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N37 I44 F45 L135 | N37-G41 PolarHBondContact O-N 3.44Å; G41-I44 PolarHBondContact O-N 3.41Å; G41-F45 VanDerWaalsContact O-CB 3.25Å; G41-F45 WeakPolarHBondContact O-CB 3.46Å; G41-F45 PolarHBondContact O-N 3.18Å; G41-L135 VanDerWaalsContact C-CD2 3.49Å |
| 42 | T | 94 | Very high | 90.2 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -70.5 | -40.2 | 179.4 | -55.7 | 0 | 0 | 0 | 0 | 111 | E38 F39 I40 I44 I46 Q161 | E38-T42 VanDerWaalsContact O-CB 3.24Å; E38-T42 WeakPolarHBondContact O-CB 3.4Å; E38-T42 PolarHBondContact O-N 3.24Å; E38-T42 PolarHBondContact O-OG1 3.23Å; F39-T42 PolarHBondContact O-N 3.12Å; I40-T42 VanDerWaalsContact C-N 3.29Å; I40-T42 PolarHBondContact O-N 3.41Å; T42-I44 PolarHBondContact O-N 3.04Å; T42-I46 HydrophobicContact CG2-CG1 4.29Å; T42-I46 WeakPolarHBondContact O-CB 3.25Å; T42-I46 VanDerWaalsContact O-CG1 3.23Å; T42-I46 WeakPolarHBondContact O-CG1 3.09Å; T42-I46 PolarHBondContact O-N 3.22Å; T42-Q161 HydrophobicContact CG2-CB 4.46Å; T42-Q161 VanDerWaalsContact CG2-O 3.28Å; T42-Q161 WeakPolarHBondContact CG2-O 3.45Å |
| 43 | T | 95.3 | Very high | 90.8 | Very high | 12 Ų | 12 | 28 Ų | 28 | 7% | 0.074 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.1 | -48.4 | 174.4 | -65 | 0 | 0 | 0 | 0 | 111.7 | F39 I40 I46 I47 G164 L167 I171 | F39-T43 PolarHBondContact O-N 3.48Å; F39-T43 PolarHBondContact O-OG1 3.01Å; F39-T43 VanDerWaalsContact O-OG1 3.14Å; I40-T43 PolarHBondContact O-N 3.46Å; T43-I46 PolarHBondContact O-N 3.06Å; T43-I47 HydrophobicContact CG2-CD1 3.89Å; T43-I47 VanDerWaalsContact O-CG1 3.27Å; T43-I47 WeakPolarHBondContact O-CG1 3.48Å; T43-I47 PolarHBondContact O-N 3.26Å; T43-G164 VanDerWaalsContact CA-O 3.28Å; T43-G164 WeakPolarHBondContact CA-O 3.27Å; T43-G164 VanDerWaalsContact OG1-CA 3.22Å; T43-G164 WeakPolarHBondContact OG1-CA 2.9Å; T43-G164 PolarHBondContact OG1-O 2.78Å; T43-L167 HydrophobicContact CG2-CD2 4.26Å; T43-L167 HydrophobicContact CG2-CG 4.31Å; T43-I171 HydrophobicContact CG2-CD1 4.29Å |
| 44 | I | 94.4 | Very high | 91.2 | Very high | 40 Ų | 40 | 26.7 Ų | 26.7 | 21% | 0.205 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70 | -44 | -177.2 | -64.6 | 173.2 | 0 | 0 | 0 | 111.3 | I40 G41 T42 I46 I47 F48 I88 I92 | I40-I44 HydrophobicContact CG2-CD1 3.96Å; I40-I44 WeakPolarHBondContact O-CG1 3.26Å; I40-I44 PolarHBondContact O-N 3.48Å; I40-I44 VanDerWaalsContact O-N 3.08Å; G41-I44 PolarHBondContact O-N 3.41Å; T42-I44 PolarHBondContact O-N 3.04Å; I44-I46 VanDerWaalsContact C-N 3.27Å; I44-I46 PolarHBondContact O-N 2.95Å; I44-I47 PolarHBondContact O-N 3.45Å; I44-F48 HydrophobicContact CG2-CD2 3.7Å; I44-F48 HydrophobicContact CG2-CE2 3.68Å; I44-F48 WeakPolarHBondContact O-CD2 3.34Å; I44-F48 PolarHBondContact O-N 3.23Å; I44-F48 VanDerWaalsContact O-N 3.11Å; I44-I88 HydrophobicContact CG2-CG2 4Å; I44-I92 HydrophobicContact CB-CD1 4.45Å; I44-I92 HydrophobicContact CD1-CD1 3.42Å; I44-I92 VanDerWaalsContact CD1-CD1 3.42Å; I44-I92 HydrophobicContact CD1-CG2 3.99Å; I44-I92 HydrophobicContact CG1-CD1 4.5Å; I44-I92 HydrophobicContact CG2-CD1 3.93Å |
| 45 | F | 94.2 | Very high | 91.6 | Very high | 31 Ų | 31 | 31.4 Ų | 31.4 | 14% | 0.136 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -51.3 | -48.1 | 173.5 | 162.7 | -128.6 | 0 | 0 | 0 | 111.6 | G41 F48 G49 W82 A85 K86 | G41-F45 VanDerWaalsContact O-CB 3.25Å; G41-F45 WeakPolarHBondContact O-CB 3.46Å; G41-F45 PolarHBondContact O-N 3.18Å; F45-F48 PolarHBondContact O-N 3.45Å; F45-G49 PolarHBondContact O-N 3.34Å; F45-W82 HydrophobicContact CE1-CZ3 4.27Å; F45-W82 AromaticContact CE2-CE3 3.56Å; F45-W82 HydrophobicContact CE2-CE3 3.56Å; F45-W82 AromaticContact CE2-CZ3 3.82Å; F45-W82 HydrophobicContact CE2-CZ3 3.82Å; F45-W82 AromaticContact CZ-CE3 3.61Å; F45-W82 HydrophobicContact CZ-CE3 3.61Å; F45-W82 AromaticContact CZ-CZ3 3.56Å; F45-W82 HydrophobicContact CZ-CZ3 3.56Å; F45-A85 HydrophobicContact CD2-CB 3.97Å; F45-A85 HydrophobicContact CE2-CB 4.38Å; F45-K86 HydrophobicContact CD2-CB 3.95Å; F45-K86 HydrophobicContact CD2-CG 4.48Å; F45-K86 HydrophobicContact CE2-CB 3.76Å; F45-K86 HydrophobicContact CE2-CG 4.29Å |
| 46 | I | 95.5 | Very high | 91.6 | Very high | 22 Ų | 22 | 32 Ų | 32 | 11% | 0.113 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -68.4 | -39.3 | -179 | -68.4 | -69 | 0 | 0 | 0 | 112.2 | T42 T43 I44 F48 G49 L50 W82 | T42-I46 HydrophobicContact CG2-CG1 4.29Å; T42-I46 WeakPolarHBondContact O-CB 3.25Å; T42-I46 VanDerWaalsContact O-CG1 3.23Å; T42-I46 WeakPolarHBondContact O-CG1 3.09Å; T42-I46 PolarHBondContact O-N 3.22Å; T43-I46 PolarHBondContact O-N 3.06Å; I44-I46 VanDerWaalsContact C-N 3.27Å; I44-I46 PolarHBondContact O-N 2.95Å; I46-F48 PolarHBondContact O-N 3.17Å; I46-G49 PolarHBondContact O-N 3.49Å; I46-L50 HydrophobicContact CG2-CD1 3.64Å; I46-L50 HydrophobicContact CG2-CG 4.09Å; I46-L50 WeakPolarHBondContact O-CB 3.45Å; I46-L50 WeakPolarHBondContact O-CG 3.33Å; I46-L50 PolarHBondContact O-N 3.42Å; I46-W82 HydrophobicContact CD1-CH2 4.47Å; I46-W82 HydrophobicContact CD1-CZ3 4.38Å |
| 47 | I | 95.5 | Very high | 91.5 | Very high | 38 Ų | 38 | 30.5 Ų | 30.5 | 20% | 0.195 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.9 | -48.4 | 176 | -71.4 | 165.3 | 0 | 0 | 0 | 110.6 | T43 I44 G51 I171 I172 | T43-I47 HydrophobicContact CG2-CD1 3.89Å; T43-I47 VanDerWaalsContact O-CG1 3.27Å; T43-I47 WeakPolarHBondContact O-CG1 3.48Å; T43-I47 PolarHBondContact O-N 3.26Å; I44-I47 PolarHBondContact O-N 3.45Å; I47-G51 PolarHBondContact O-N 3.27Å; I47-I171 HydrophobicContact CD1-CB 4.23Å; I47-I171 HydrophobicContact CD1-CD1 4.04Å; I47-I171 HydrophobicContact CD1-CG2 3.93Å; I47-I171 HydrophobicContact CG1-CB 4.36Å; I47-I171 HydrophobicContact CG1-CG2 4.24Å; I47-I172 HydrophobicContact CG2-CD1 4.2Å; I47-I172 WeakPolarHBondContact O-CD1 3.39Å |
| 48 | F | 94.6 | Very high | 91.1 | Very high | 102 Ų | 102 | 30 Ų | 30 | 45% | 0.447 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -71.4 | -43.9 | 179.6 | -78.4 | -75.2 | 0 | 0 | 0 | 112.5 | I44 F45 I46 G51 V52 A85 I88 | I44-F48 HydrophobicContact CG2-CD2 3.7Å; I44-F48 HydrophobicContact CG2-CE2 3.68Å; I44-F48 WeakPolarHBondContact O-CD2 3.34Å; I44-F48 PolarHBondContact O-N 3.23Å; I44-F48 VanDerWaalsContact O-N 3.11Å; F45-F48 PolarHBondContact O-N 3.45Å; I46-F48 PolarHBondContact O-N 3.17Å; F48-G51 PolarHBondContact O-N 3.28Å; F48-V52 WeakPolarHBondContact O-CG2 3.13Å; F48-V52 PolarHBondContact O-N 3.45Å; F48-A85 HydrophobicContact CB-CB 3.53Å; F48-I88 HydrophobicContact CD2-CG2 4.34Å; F48-I88 HydrophobicContact CE2-CG2 4.14Å |
| 49 | G | 93.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -59.6 | -49.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F45 I46 V52 M53 W82 | F45-G49 PolarHBondContact O-N 3.34Å; I46-G49 PolarHBondContact O-N 3.49Å; G49-V52 PolarHBondContact O-N 3.11Å; G49-M53 PolarHBondContact O-N 3.21Å; G49-W82 PolarHBondContact O-NE1 3.44Å |
| 50 | L | 93.8 | Very high | 89.3 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.4 | -33.5 | 175.9 | -65.4 | -178 | 0 | 0 | 0 | 112.3 | I46 V52 M53 I54 W82 T169 I172 L201 | I46-L50 HydrophobicContact CG2-CD1 3.64Å; I46-L50 HydrophobicContact CG2-CG 4.09Å; I46-L50 WeakPolarHBondContact O-CB 3.45Å; I46-L50 WeakPolarHBondContact O-CG 3.33Å; I46-L50 PolarHBondContact O-N 3.42Å; L50-V52 PolarHBondContact O-N 3.43Å; L50-M53 HydrophobicContact CD2-SD 4.5Å; L50-M53 WeakPolarHBondContact O-CB 3.41Å; L50-M53 PolarHBondContact O-N 2.79Å; L50-I54 WeakPolarHBondContact O-CG1 3.33Å; L50-I54 PolarHBondContact O-N 3.37Å; L50-W82 HydrophobicContact CD2-CH2 4.17Å; L50-W82 HydrophobicContact CD2-CZ2 4.04Å; L50-T169 HydrophobicContact CD1-CG2 4.06Å; L50-I172 HydrophobicContact CB-CB 4.49Å; L50-I172 HydrophobicContact CB-CG1 4.18Å; L50-I172 HydrophobicContact CB-CG2 3.92Å; L50-I172 HydrophobicContact CD1-CG2 3.72Å; L50-I172 HydrophobicContact CG-CG2 4.49Å; L50-L201 HydrophobicContact CD1-CD2 4.28Å |
| 51 | G | 93 | Very high | 88 | Confident | 5 Ų | 5 | 31 Ų | 31 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58 | -45.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I47 F48 M53 I54 Q55 | I47-G51 PolarHBondContact O-N 3.27Å; F48-G51 PolarHBondContact O-N 3.28Å; G51-M53 VanDerWaalsContact C-N 3.32Å; G51-M53 PolarHBondContact O-N 3.34Å; G51-I54 PolarHBondContact O-N 3.46Å; G51-Q55 WeakPolarHBondContact O-CB 3.23Å; G51-Q55 VanDerWaalsContact O-CG 3.3Å; G51-Q55 WeakPolarHBondContact O-CG 3.42Å; G51-Q55 PolarHBondContact O-N 2.71Å |
| 52 | V | 91.7 | Very high | 86.7 | Confident | 32 Ų | 32 | 35.1 Ų | 35.1 | 19% | 0.194 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.2 | -40.1 | 175.7 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | F48 G49 L50 Q55 T56 | F48-V52 WeakPolarHBondContact O-CG2 3.13Å; F48-V52 PolarHBondContact O-N 3.45Å; G49-V52 PolarHBondContact O-N 3.11Å; L50-V52 PolarHBondContact O-N 3.43Å; V52-Q55 PolarHBondContact O-N 3.4Å; V52-T56 WeakPolarHBondContact O-CB 3.4Å; V52-T56 PolarHBondContact O-N 3.47Å; V52-T56 PolarHBondContact O-OG1 2.88Å |
| 53 | M | 89.3 | Confident | 85.2 | Confident | 15 Ų | 15 | 36.6 Ų | 36.6 | 7% | 0.074 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -47.8 | 178.3 | -171.9 | 179.9 | -77.2 | 0 | 0 | 111.7 | G49 L50 G51 N57 W82 | G49-M53 PolarHBondContact O-N 3.21Å; L50-M53 HydrophobicContact CD2-SD 4.5Å; L50-M53 WeakPolarHBondContact O-CB 3.41Å; L50-M53 PolarHBondContact O-N 2.79Å; G51-M53 VanDerWaalsContact C-N 3.32Å; G51-M53 PolarHBondContact O-N 3.34Å; M53-N57 PolarHBondContact O-N 3.23Å; M53-N57 VanDerWaalsContact O-N 3.15Å; M53-N57 PolarHBondContact O-ND2 3.43Å; M53-W82 HydrophobicContact CE-CZ2 4.01Å |
| 54 | I | 89 | Confident | 83.4 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64 | -45 | 178.3 | -64.9 | 166.7 | 0 | 0 | 0 | 110.7 | L50 G51 N57 M58 I172 Y176 I180 L200 | L50-I54 WeakPolarHBondContact O-CG1 3.33Å; L50-I54 PolarHBondContact O-N 3.37Å; G51-I54 PolarHBondContact O-N 3.46Å; I54-N57 PolarHBondContact O-N 3.26Å; I54-M58 WeakPolarHBondContact O-CB 3.36Å; I54-M58 PolarHBondContact O-N 3.32Å; I54-I172 HydrophobicContact CD1-CG1 3.85Å; I54-I172 HydrophobicContact CD1-CG2 4.4Å; I54-Y176 HydrophobicContact CB-CD1 4.28Å; I54-Y176 HydrophobicContact CD1-CD2 4.32Å; I54-Y176 HydrophobicContact CD1-CG 4.08Å; I54-Y176 HydrophobicContact CG2-CD1 3.46Å; I54-Y176 VanDerWaalsContact CG2-CD1 3.46Å; I54-Y176 HydrophobicContact CG2-CE1 4.13Å; I54-Y176 HydrophobicContact CG2-CG 3.91Å; I54-I180 HydrophobicContact CD1-CD1 4.43Å; I54-L200 HydrophobicContact CG1-CB 4.31Å |
| 55 | Q | 88.4 | Confident | 81.8 | Confident | 110 Ų | 110 | 45.4 Ų | 45.4 | 51% | 0.514 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -64.5 | -41.9 | -179.9 | -73.5 | 178.8 | 28.8 | 0 | 0 | 112.7 | G51 V52 M58 N59 Y176 | G51-Q55 WeakPolarHBondContact O-CB 3.23Å; G51-Q55 VanDerWaalsContact O-CG 3.3Å; G51-Q55 WeakPolarHBondContact O-CG 3.42Å; G51-Q55 PolarHBondContact O-N 2.71Å; V52-Q55 PolarHBondContact O-N 3.4Å; Q55-M58 PolarHBondContact O-N 2.87Å; Q55-N59 PolarHBondContact O-N 3.24Å; Q55-Y176 HydrophobicContact CG-CE1 4.09Å; Q55-Y176 PolarHBondContact NE2-OH 3.32Å |
| 56 | T | 85.4 | Confident | 80.2 | Confident | 15 Ų | 15 | 48.9 Ų | 48.9 | 9% | 0.092 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.7 | -41.4 | -179.2 | -53.8 | 0 | 0 | 0 | 0 | 111.1 | V52 M58 N59 Q74 I78 | V52-T56 WeakPolarHBondContact O-CB 3.4Å; V52-T56 PolarHBondContact O-N 3.47Å; V52-T56 PolarHBondContact O-OG1 2.88Å; T56-M58 VanDerWaalsContact C-N 3.34Å; T56-N59 WeakPolarHBondContact O-CB 3.39Å; T56-N59 PolarHBondContact O-N 3.35Å; T56-Q74 HydrophobicContact CG2-CB 3.77Å; T56-Q74 HydrophobicContact CG2-CG 3.94Å; T56-I78 HydrophobicContact CG2-CD1 3.8Å; T56-I78 HydrophobicContact CG2-CG1 3.84Å |
| 57 | N | 81.9 | Confident | 78.5 | Confident | 31 Ų | 31 | 55.5 Ų | 55.5 | 17% | 0.166 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.2 | -31.6 | 174.9 | -77.5 | -79.8 | 0 | 0 | 0 | 112.5 | M53 I54 N59 I60 Y183 L200 | M53-N57 PolarHBondContact O-N 3.23Å; M53-N57 VanDerWaalsContact O-N 3.15Å; M53-N57 PolarHBondContact O-ND2 3.43Å; I54-N57 PolarHBondContact O-N 3.26Å; N57-N59 VanDerWaalsContact C-N 3.31Å; N57-I60 WeakPolarHBondContact O-CB 3.49Å; N57-I60 PolarHBondContact O-N 3.28Å; N57-Y183 HydrophobicContact CB-CE2 4.05Å; N57-L200 HydrophobicContact CB-CD2 3.45Å; N57-L200 VanDerWaalsContact CB-CD2 3.45Å |
| 58 | M | 79.3 | Confident | 76.7 | Confident | 35 Ų | 35 | 59.4 Ų | 59.4 | 17% | 0.172 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.4 | -31.7 | 173.1 | -166.3 | 69.3 | -159.3 | 0 | 0 | 111.9 | I54 Q55 T56 I60 I61 M182 | I54-M58 WeakPolarHBondContact O-CB 3.36Å; I54-M58 PolarHBondContact O-N 3.32Å; Q55-M58 PolarHBondContact O-N 2.87Å; T56-M58 VanDerWaalsContact C-N 3.34Å; M58-I60 VanDerWaalsContact C-N 3.26Å; M58-I60 PolarHBondContact O-N 3.47Å; M58-I61 HydrophobicContact CE-CB 4.33Å; M58-I61 HydrophobicContact CE-CD1 3.79Å; M58-I61 HydrophobicContact CE-CG2 4.15Å; M58-I61 VanDerWaalsContact O-CB 3.25Å; M58-I61 WeakPolarHBondContact O-CB 3.2Å; M58-I61 PolarHBondContact O-N 2.95Å; M58-I61 VanDerWaalsContact O-N 3.08Å; M58-I61 HydrophobicContact SD-CD1 3.39Å; M58-I61 WeakPolarHBondContact SD-CD1 3.29Å; M58-M182 HydrophobicContact CE-CB 4.21Å; M58-M182 HydrophobicContact CE-CE 3.86Å; M58-M182 HydrophobicContact CE-SD 4.37Å |
| 59 | N | 74.9 | Confident | 74.7 | Confident | 77 Ų | 77 | 60.2 Ų | 60.2 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.7 | -29.9 | 176.9 | -166.8 | 45.9 | 0 | 0 | 0 | 112.8 | Q55 T56 N57 I61 N62 N63 | Q55-N59 PolarHBondContact O-N 3.24Å; T56-N59 WeakPolarHBondContact O-CB 3.39Å; T56-N59 PolarHBondContact O-N 3.35Å; N57-N59 VanDerWaalsContact C-N 3.31Å; N59-I61 PolarHBondContact O-N 3.24Å; N59-N62 PolarHBondContact O-N 3Å; N59-N62 VanDerWaalsContact O-N 3.14Å; N59-N63 PolarHBondContact O-N 3.03Å |
| 60 | I | 67.4 | Low | 72.8 | Confident | 47 Ų | 47 | 66.1 Ų | 66.1 | 24% | 0.241 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.3 | -35.9 | 172.5 | -62.7 | 168.2 | 0 | 0 | 0 | 110.7 | N57 M58 N62 N64 | N57-I60 WeakPolarHBondContact O-CB 3.49Å; N57-I60 PolarHBondContact O-N 3.28Å; M58-I60 VanDerWaalsContact C-N 3.26Å; M58-I60 PolarHBondContact O-N 3.47Å; I60-N62 VanDerWaalsContact C-N 3.34Å; I60-N62 PolarHBondContact O-N 3.34Å; I60-N64 PolarHBondContact O-N 3Å; I60-N64 PolarHBondContact O-ND2 3.38Å |
| 61 | I | 65.4 | Low | 71 | Confident | 23 Ų | 23 | 68.9 Ų | 68.9 | 12% | 0.118 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.5 | -39.3 | -179.5 | -65.8 | 168.8 | 0 | 0 | 0 | 111.5 | M58 N59 Y183 L186 | M58-I61 HydrophobicContact CE-CB 4.33Å; M58-I61 HydrophobicContact CE-CD1 3.79Å; M58-I61 HydrophobicContact CE-CG2 4.15Å; M58-I61 VanDerWaalsContact O-CB 3.25Å; M58-I61 WeakPolarHBondContact O-CB 3.2Å; M58-I61 PolarHBondContact O-N 2.95Å; M58-I61 VanDerWaalsContact O-N 3.08Å; M58-I61 HydrophobicContact SD-CD1 3.39Å; M58-I61 WeakPolarHBondContact SD-CD1 3.29Å; N59-I61 PolarHBondContact O-N 3.24Å; I61-Y183 HydrophobicContact CD1-CD2 3.74Å; I61-Y183 HydrophobicContact CD1-CG 4.43Å; I61-L186 HydrophobicContact CB-CD1 3.93Å; I61-L186 HydrophobicContact CD1-CD1 3.49Å; I61-L186 VanDerWaalsContact CD1-CD1 3.49Å; I61-L186 HydrophobicContact CG1-CD1 3.49Å; I61-L186 VanDerWaalsContact CG1-CD1 3.49Å; I61-L186 HydrophobicContact CG2-CD1 3.24Å |
| 62 | N | 64 | Low | 69.1 | Low | 88 Ų | 88 | 75.6 Ų | 75.6 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -71.7 | -40.7 | -178 | -67.2 | -21 | 0 | 0 | 0 | 111.2 | N59 I60 N64 N65 | N59-N62 PolarHBondContact O-N 3Å; N59-N62 VanDerWaalsContact O-N 3.14Å; I60-N62 VanDerWaalsContact C-N 3.34Å; I60-N62 PolarHBondContact O-N 3.34Å; N62-N64 VanDerWaalsContact C-N 3.33Å; N62-N64 PolarHBondContact O-N 3.26Å; N62-N65 PolarHBondContact O-N 3.23Å |
| 63 | N | 62 | Low | 67.4 | Low | 36 Ų | 36 | 76 Ų | 76 | 19% | 0.193 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -68.8 | -28.3 | -179.4 | -76.9 | -8.4 | 0 | 0 | 0 | 113.3 | N59 N65 D66 | N59-N63 PolarHBondContact O-N 3.03Å; N63-N65 PolarHBondContact O-N 3.32Å; N63-N65 VanDerWaalsContact O-N 3.11Å; N63-D66 CarbonylContact O-C 3.3Å; N63-D66 PolarHBondContact O-N 3.49Å |
| 64 | N | 59.1 | Low | 66.8 | Low | 107 Ų | 107 | 76.9 Ų | 76.9 | 57% | 0.572 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -13.2 | 178.1 | -73 | -23.6 | 0 | 0 | 0 | 113.8 | I60 N62 | I60-N64 PolarHBondContact O-N 3Å; I60-N64 PolarHBondContact O-ND2 3.38Å; N62-N64 VanDerWaalsContact C-N 3.33Å; N62-N64 PolarHBondContact O-N 3.26Å |
| 65 | N | 59.3 | Low | 66.4 | Low | 131 Ų | 131 | 85.9 Ų | 85.9 | 70% | 0.701 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -16.3 | 173.2 | -65.8 | -43.4 | 0 | 0 | 0 | 113.1 | N62 N63 | N62-N65 PolarHBondContact O-N 3.23Å; N63-N65 PolarHBondContact O-N 3.32Å; N63-N65 VanDerWaalsContact O-N 3.11Å |
| 66 | D | 62 | Low | 66.2 | Low | 104 Ų | 104 | 85.5 Ų | 85.5 | 56% | 0.556 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -108.8 | 120.6 | 179.1 | -71.1 | -27.5 | 0 | 0 | 0 | 108.5 | N63 N68 | N63-D66 CarbonylContact O-C 3.3Å; N63-D66 PolarHBondContact O-N 3.49Å; D66-N68 PolarHBondContact O-N 3.43Å |
| 67 | N | 57.9 | Low | 66.3 | Low | 160 Ų | 160 | 87.6 Ų | 87.6 | 86% | 0.856 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -62.3 | 13.6 | -179.6 | -66.2 | -44.5 | 0 | 0 | 0 | 115 | ||
| 68 | N | 58.4 | Low | 66.6 | Low | 120 Ų | 120 | 87.8 Ų | 87.8 | 64% | 0.642 | 47% | 0.467 | S | S | * | . | trans | -100.1 | 88.1 | 175.6 | -70.7 | -23 | 0 | 0 | 0 | 109.5 | D66 N70 | D66-N68 PolarHBondContact O-N 3.43Å; N68-N70 PolarHBondContact O-N 3.4Å | ||
| 69 | N | 53.6 | Low | 67.2 | Low | 119 Ų | 119 | 90 Ų | 90 | 64% | 0.636 | 49% | 0.486 | S | S | * | . | trans | -67.7 | 52.5 | 178.8 | -73 | -25.5 | 0 | 0 | 0 | 114.1 | N71 | N69-N71 VanDerWaalsContact C-N 3.31Å; N69-N71 PolarHBondContact O-N 3.24Å; N69-N71 VanDerWaalsContact O-N 3.14Å | ||
| 70 | N | 54 | Low | 68 | Low | 124 Ų | 124 | 92 Ų | 92 | 66% | 0.663 | 49% | 0.494 | S | S | * | . | trans | -90.3 | 68.4 | 177.1 | -66.6 | -8.2 | 0 | 0 | 0 | 109.9 | N68 N72 | N68-N70 PolarHBondContact O-N 3.4Å; N70-N72 PolarHBondContact O-N 3.27Å | ||
| 71 | N | 55 | Low | 69.2 | Low | 63 Ų | 63 | 90.4 Ų | 90.4 | 34% | 0.337 | 49% | 0.489 | S | S | . | . | trans | -83.1 | 21.3 | -177.7 | -73 | -22.4 | 0 | 0 | 0 | 113.9 | N69 G73 | N69-N71 VanDerWaalsContact C-N 3.31Å; N69-N71 PolarHBondContact O-N 3.24Å; N69-N71 VanDerWaalsContact O-N 3.14Å; N71-G73 PolarHBondContact O-N 2.72Å | ||
| 72 | N | 52.1 | Low | 70.5 | Confident | 145 Ų | 145 | 92.4 Ų | 92.4 | 78% | 0.775 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 7.1 | -153.4 | -53.7 | 4.7 | 0 | 0 | 0 | 114.3 | N70 | N70-N72 PolarHBondContact O-N 3.27Š|
| 73 | G | 58 | Low | 71.8 | Confident | 42 Ų | 42 | 89.8 Ų | 89.8 | 43% | 0.433 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | 6.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | N71 S77 | N71-G73 PolarHBondContact O-N 2.72Å; G73-S77 WeakPolarHBondContact O-CB 3.3Å |
| 74 | Q | 76 | Confident | 73.3 | Confident | 33 Ų | 33 | 92.8 Ų | 92.8 | 15% | 0.154 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -77.7 | -47.3 | -164.4 | -65.6 | 177.8 | -3.1 | 0 | 0 | 113.3 | T56 S77 I78 | T56-Q74 HydrophobicContact CG2-CB 3.77Å; T56-Q74 HydrophobicContact CG2-CG 3.94Å; Q74-S77 PolarHBondContact O-N 2.95Å; Q74-I78 VanDerWaalsContact O-CG1 3.31Å; Q74-I78 WeakPolarHBondContact O-CG1 3.39Å; Q74-I78 PolarHBondContact O-N 3.13Å; Q74-I78 VanDerWaalsContact O-N 3.1Å |
| 75 | Y | 80 | Confident | 75 | Confident | 194 Ų | 194 | 87.8 Ų | 87.8 | 76% | 0.761 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.2 | -45.1 | -175.5 | -63.4 | -74.9 | 0 | 0 | 0 | 112.7 | S77 I78 S79 | Y75-S77 VanDerWaalsContact C-N 3.3Å; Y75-S77 PolarHBondContact O-N 3.43Å; Y75-I78 PolarHBondContact O-N 3.41Å; Y75-S79 PolarHBondContact O-N 2.92Å; Y75-S79 PolarHBondContact O-OG 2.97Å |
| 76 | I | 84.8 | Confident | 76.6 | Confident | 102 Ų | 102 | 83.8 Ų | 83.8 | 52% | 0.523 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | -179.8 | -167.6 | 60.3 | 0 | 0 | 0 | 111.7 | S79 M80 | I76-S79 PolarHBondContact O-N 2.93Å; I76-M80 HydrophobicContact CD1-CE 3.91Å; I76-M80 HydrophobicContact CD1-CG 4.29Å; I76-M80 HydrophobicContact CG1-CE 3.86Å; I76-M80 HydrophobicContact CG1-CG 4.34Å; I76-M80 HydrophobicContact CG1-SD 4.14Å; I76-M80 VanDerWaalsContact O-CB 3.3Å; I76-M80 WeakPolarHBondContact O-CB 3.08Å; I76-M80 VanDerWaalsContact O-CG 3.29Å; I76-M80 WeakPolarHBondContact O-CG 3.43Å; I76-M80 PolarHBondContact O-N 2.74Å |
| 77 | S | 86.3 | Confident | 78 | Confident | 58 Ų | 58 | 83.6 Ų | 83.6 | 41% | 0.406 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -62.2 | -46.3 | 175.4 | -178.9 | 0 | 0 | 0 | 0 | 111.5 | G73 Q74 Y75 G81 | G73-S77 WeakPolarHBondContact O-CB 3.3Å; Q74-S77 PolarHBondContact O-N 2.95Å; Y75-S77 VanDerWaalsContact C-N 3.3Å; Y75-S77 PolarHBondContact O-N 3.43Å; S77-G81 PolarHBondContact O-N 3.26Å |
| 78 | I | 89.2 | Confident | 79.6 | Confident | 36 Ų | 36 | 78.5 Ų | 78.5 | 19% | 0.185 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.5 | -51.2 | 177.7 | -65.9 | 164.4 | 0 | 0 | 0 | 110.1 | T56 Q74 Y75 M80 G81 W82 | T56-I78 HydrophobicContact CG2-CD1 3.8Å; T56-I78 HydrophobicContact CG2-CG1 3.84Å; Q74-I78 VanDerWaalsContact O-CG1 3.31Å; Q74-I78 WeakPolarHBondContact O-CG1 3.39Å; Q74-I78 PolarHBondContact O-N 3.13Å; Q74-I78 VanDerWaalsContact O-N 3.1Å; Y75-I78 PolarHBondContact O-N 3.41Å; I78-M80 PolarHBondContact O-N 3.36Å; I78-G81 PolarHBondContact O-N 3.41Å; I78-W82 VanDerWaalsContact O-CD1 3.27Å; I78-W82 PolarHBondContact O-N 2.99Å |
| 79 | S | 91.3 | Very high | 81.1 | Confident | 81 Ų | 81 | 72.8 Ų | 72.8 | 57% | 0.566 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.7 | -45.8 | -178.8 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | Y75 I76 G81 G83 | Y75-S79 PolarHBondContact O-N 2.92Å; Y75-S79 PolarHBondContact O-OG 2.97Å; I76-S79 PolarHBondContact O-N 2.93Å; S79-G81 VanDerWaalsContact C-N 3.35Å; S79-G83 PolarHBondContact O-N 3.47Å; S79-G83 VanDerWaalsContact O-N 3.08Å |
| 80 | M | 91.5 | Very high | 82.8 | Confident | 119 Ų | 119 | 70.5 Ų | 70.5 | 59% | 0.586 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.6 | -41.6 | 175.8 | -74.1 | -174.9 | 172 | 0 | 0 | 111.5 | I76 I78 G83 I84 | I76-M80 HydrophobicContact CD1-CE 3.91Å; I76-M80 HydrophobicContact CD1-CG 4.29Å; I76-M80 HydrophobicContact CG1-CE 3.86Å; I76-M80 HydrophobicContact CG1-CG 4.34Å; I76-M80 HydrophobicContact CG1-SD 4.14Å; I76-M80 VanDerWaalsContact O-CB 3.3Å; I76-M80 WeakPolarHBondContact O-CB 3.08Å; I76-M80 VanDerWaalsContact O-CG 3.29Å; I76-M80 WeakPolarHBondContact O-CG 3.43Å; I76-M80 PolarHBondContact O-N 2.74Å; I78-M80 PolarHBondContact O-N 3.36Å; M80-G83 PolarHBondContact O-N 2.87Å; M80-I84 WeakPolarHBondContact O-CG1 3.33Å; M80-I84 PolarHBondContact O-N 3.29Å |
| 81 | G | 92.4 | Very high | 84.4 | Confident | 13 Ų | 13 | 70.1 Ų | 70.1 | 13% | 0.134 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S77 I78 S79 G83 I84 A85 | S77-G81 PolarHBondContact O-N 3.26Å; I78-G81 PolarHBondContact O-N 3.41Å; S79-G81 VanDerWaalsContact C-N 3.35Å; G81-G83 VanDerWaalsContact C-N 3.34Å; G81-G83 PolarHBondContact O-N 3.29Å; G81-I84 PolarHBondContact O-N 2.68Å; G81-A85 VanDerWaalsContact O-CB 3.22Å; G81-A85 WeakPolarHBondContact O-CB 3.18Å; G81-A85 PolarHBondContact O-N 2.68Å |
| 82 | W | 92.7 | Very high | 85.8 | Confident | 65 Ų | 65 | 70.6 Ų | 70.6 | 25% | 0.246 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 173.1 | -84.2 | 95.9 | 0 | 0 | 0 | 112.3 | F45 I46 G49 L50 M53 I78 A85 K86 | F45-W82 HydrophobicContact CE1-CZ3 4.27Å; F45-W82 AromaticContact CE2-CE3 3.56Å; F45-W82 HydrophobicContact CE2-CE3 3.56Å; F45-W82 AromaticContact CE2-CZ3 3.82Å; F45-W82 HydrophobicContact CE2-CZ3 3.82Å; F45-W82 AromaticContact CZ-CE3 3.61Å; F45-W82 HydrophobicContact CZ-CE3 3.61Å; F45-W82 AromaticContact CZ-CZ3 3.56Å; F45-W82 HydrophobicContact CZ-CZ3 3.56Å; I46-W82 HydrophobicContact CD1-CH2 4.47Å; I46-W82 HydrophobicContact CD1-CZ3 4.38Å; G49-W82 PolarHBondContact O-NE1 3.44Å; L50-W82 HydrophobicContact CD2-CH2 4.17Å; L50-W82 HydrophobicContact CD2-CZ2 4.04Å; M53-W82 HydrophobicContact CE-CZ2 4.01Å; I78-W82 VanDerWaalsContact O-CD1 3.27Å; I78-W82 PolarHBondContact O-N 2.99Å; W82-A85 PolarHBondContact O-N 3.17Å; W82-K86 WeakPolarHBondContact O-CB 3.2Å; W82-K86 PolarHBondContact O-N 2.89Å |
| 83 | G | 92.5 | Very high | 87.3 | Confident | 34 Ų | 34 | 63.7 Ų | 63.7 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.5 | -49.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S79 M80 G81 K86 I87 | S79-G83 PolarHBondContact O-N 3.47Å; S79-G83 VanDerWaalsContact O-N 3.08Å; M80-G83 PolarHBondContact O-N 2.87Å; G81-G83 VanDerWaalsContact C-N 3.34Å; G81-G83 PolarHBondContact O-N 3.29Å; G83-K86 PolarHBondContact O-N 3.34Å; G83-I87 WeakPolarHBondContact O-CG1 3.49Å; G83-I87 PolarHBondContact O-N 3.34Å; G83-I87 VanDerWaalsContact O-N 3.08Å |
| 84 | I | 93.3 | Very high | 88 | Confident | 98 Ų | 98 | 64.2 Ų | 64.2 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 176.9 | -67 | 166.9 | 0 | 0 | 0 | 110.8 | M80 G81 K86 I87 I88 | M80-I84 WeakPolarHBondContact O-CG1 3.33Å; M80-I84 PolarHBondContact O-N 3.29Å; G81-I84 PolarHBondContact O-N 2.68Å; I84-K86 PolarHBondContact O-N 2.79Å; I84-I87 WeakPolarHBondContact O-CB 3.29Å; I84-I87 PolarHBondContact O-N 3.19Å; I84-I87 VanDerWaalsContact O-N 3.1Å; I84-I88 HydrophobicContact CG2-CD1 3.87Å; I84-I88 HydrophobicContact CG2-CG1 4.36Å; I84-I88 WeakPolarHBondContact O-CG1 3.28Å; I84-I88 PolarHBondContact O-N 3.45Å |
| 85 | A | 94.3 | Very high | 87 | Confident | 2 Ų | 2 | 65.3 Ų | 65.3 | 2% | 0.017 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F45 F48 G81 W82 I88 G89 | F45-A85 HydrophobicContact CD2-CB 3.97Å; F45-A85 HydrophobicContact CE2-CB 4.38Å; F48-A85 HydrophobicContact CB-CB 3.53Å; G81-A85 VanDerWaalsContact O-CB 3.22Å; G81-A85 WeakPolarHBondContact O-CB 3.18Å; G81-A85 PolarHBondContact O-N 2.68Å; W82-A85 PolarHBondContact O-N 3.17Å; A85-I88 PolarHBondContact O-N 3.34Å; A85-G89 PolarHBondContact O-N 3.12Å |
| 86 | K | 92.6 | Very high | 85.2 | Confident | 47 Ų | 47 | 60.4 Ų | 60.4 | 20% | 0.204 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | 177.2 | -168 | -174 | 171.4 | -158.3 | 0 | 111.7 | F45 W82 G83 I84 G89 L90 Y224 | F45-K86 HydrophobicContact CD2-CB 3.95Å; F45-K86 HydrophobicContact CD2-CG 4.48Å; F45-K86 HydrophobicContact CE2-CB 3.76Å; F45-K86 HydrophobicContact CE2-CG 4.29Å; W82-K86 WeakPolarHBondContact O-CB 3.2Å; W82-K86 PolarHBondContact O-N 2.89Å; G83-K86 PolarHBondContact O-N 3.34Å; I84-K86 PolarHBondContact O-N 2.79Å; K86-G89 PolarHBondContact O-N 3.13Å; K86-L90 WeakPolarHBondContact O-CB 3.16Å; K86-L90 PolarHBondContact O-N 2.93Å; K86-Y224 WeakPolarHBondContact CE-OH 3.41Å; K86-Y224 VanDerWaalsContact NZ-CE2 3.27Å; K86-Y224 VanDerWaalsContact NZ-CZ 3.28Å; K86-Y224 PolarHBondContact NZ-OH 3.47Å |
| 87 | I | 91.5 | Very high | 82.7 | Confident | 100 Ų | 100 | 58.3 Ų | 58.3 | 51% | 0.513 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 175.3 | -67 | 165.3 | 0 | 0 | 0 | 110.6 | G83 I84 L90 L91 | G83-I87 WeakPolarHBondContact O-CG1 3.49Å; G83-I87 PolarHBondContact O-N 3.34Å; G83-I87 VanDerWaalsContact O-N 3.08Å; I84-I87 WeakPolarHBondContact O-CB 3.29Å; I84-I87 PolarHBondContact O-N 3.19Å; I84-I87 VanDerWaalsContact O-N 3.1Å; I87-L90 WeakPolarHBondContact O-CB 3.4Å; I87-L90 PolarHBondContact O-N 2.95Å; I87-L91 HydrophobicContact CG2-CD1 3.97Å; I87-L91 HydrophobicContact CG2-CG 4.3Å; I87-L91 VanDerWaalsContact O-CG 3.27Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 3.44Å |
| 88 | I | 91.9 | Very high | 79.8 | Confident | 53 Ų | 53 | 59.5 Ų | 59.5 | 27% | 0.272 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 177.6 | -66.9 | 168.5 | 0 | 0 | 0 | 110.7 | I44 F48 I84 A85 L90 L91 I92 | I44-I88 HydrophobicContact CG2-CG2 4Å; F48-I88 HydrophobicContact CD2-CG2 4.34Å; F48-I88 HydrophobicContact CE2-CG2 4.14Å; I84-I88 HydrophobicContact CG2-CD1 3.87Å; I84-I88 HydrophobicContact CG2-CG1 4.36Å; I84-I88 WeakPolarHBondContact O-CG1 3.28Å; I84-I88 PolarHBondContact O-N 3.45Å; A85-I88 PolarHBondContact O-N 3.34Å; I88-L90 VanDerWaalsContact C-N 3.28Å; I88-L90 PolarHBondContact O-N 2.91Å; I88-L91 PolarHBondContact O-N 3.43Å; I88-I92 HydrophobicContact CG2-CD1 3.97Å; I88-I92 WeakPolarHBondContact O-CG1 3.31Å; I88-I92 PolarHBondContact O-N 3.49Å |
| 89 | G | 90.1 | Very high | 77 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -57.8 | -43.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | A85 K86 I92 S93 | A85-G89 PolarHBondContact O-N 3.12Å; K86-G89 PolarHBondContact O-N 3.13Å; G89-I92 PolarHBondContact O-N 2.85Å; G89-S93 WeakPolarHBondContact O-CB 3.38Å; G89-S93 PolarHBondContact O-N 2.88Å |
| 90 | L | 89.1 | Confident | 74.2 | Confident | 72 Ų | 72 | 61.6 Ų | 61.6 | 38% | 0.377 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.2 | -51.6 | 177.6 | 177.2 | 66.4 | 0 | 0 | 0 | 111 | K86 I87 I88 I92 S93 T94 G133 L135 | K86-L90 WeakPolarHBondContact O-CB 3.16Å; K86-L90 PolarHBondContact O-N 2.93Å; I87-L90 WeakPolarHBondContact O-CB 3.4Å; I87-L90 PolarHBondContact O-N 2.95Å; I88-L90 VanDerWaalsContact C-N 3.28Å; I88-L90 PolarHBondContact O-N 2.91Å; L90-I92 PolarHBondContact O-N 3.32Å; L90-S93 PolarHBondContact O-N 3.09Å; L90-T94 HydrophobicContact CD1-CG2 3.76Å; L90-T94 HydrophobicContact CG-CG2 4.26Å; L90-T94 WeakPolarHBondContact O-CG2 3.47Å; L90-T94 PolarHBondContact O-N 3.09Å; L90-T94 PolarHBondContact O-OG1 3.1Å; L90-G133 WeakPolarHBondContact CD1-O 3.32Å; L90-L135 HydrophobicContact CB-CD1 4.31Å; L90-L135 VanDerWaalsContact N-CD1 3.32Å |
| 91 | L | 87.3 | Confident | 71.4 | Confident | 116 Ų | 116 | 59.1 Ų | 59.1 | 61% | 0.607 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -57.2 | -33.8 | -178.9 | -72.8 | 172.3 | 0 | 0 | 0 | 113 | I87 I88 T94 | I87-L91 HydrophobicContact CG2-CD1 3.97Å; I87-L91 HydrophobicContact CG2-CG 4.3Å; I87-L91 VanDerWaalsContact O-CG 3.27Å; I87-L91 WeakPolarHBondContact O-CG 3.36Å; I87-L91 PolarHBondContact O-N 3.44Å; I88-L91 PolarHBondContact O-N 3.43Å; L91-T94 PolarHBondContact O-OG1 3.44Å |
| 92 | I | 85.5 | Confident | 68.5 | Low | 72 Ų | 72 | 61.1 Ų | 61.1 | 37% | 0.369 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -79.3 | -37.4 | 178.7 | -64.7 | 171.3 | 0 | 0 | 0 | 111.2 | I40 I44 I88 G89 L90 | I40-I92 HydrophobicContact CG2-CG2 3.97Å; I44-I92 HydrophobicContact CB-CD1 4.45Å; I44-I92 HydrophobicContact CD1-CD1 3.42Å; I44-I92 VanDerWaalsContact CD1-CD1 3.42Å; I44-I92 HydrophobicContact CD1-CG2 3.99Å; I44-I92 HydrophobicContact CG1-CD1 4.5Å; I44-I92 HydrophobicContact CG2-CD1 3.93Å; I88-I92 HydrophobicContact CG2-CD1 3.97Å; I88-I92 WeakPolarHBondContact O-CG1 3.31Å; I88-I92 PolarHBondContact O-N 3.49Å; G89-I92 PolarHBondContact O-N 2.85Å; L90-I92 PolarHBondContact O-N 3.32Å |
| 93 | S | 83.3 | Confident | 65.5 | Low | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.007 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -70.7 | -36.9 | 178.8 | -162.8 | 0 | 0 | 0 | 0 | 112.1 | N37 G89 L90 G95 G133 | N37-S93 WeakPolarHBondContact CB-O 3.4Å; N37-S93 PolarHBondContact ND2-O 3.19Å; N37-S93 WeakPolarHBondContact O-CB 3.36Å; N37-S93 PolarHBondContact O-OG 2.97Å; G89-S93 WeakPolarHBondContact O-CB 3.38Å; G89-S93 PolarHBondContact O-N 2.88Å; L90-S93 PolarHBondContact O-N 3.09Å; S93-G95 VanDerWaalsContact C-N 3.28Å; S93-G95 PolarHBondContact O-N 3.06Å; S93-G133 VanDerWaalsContact OG-CA 3.31Å; S93-G133 WeakPolarHBondContact OG-CA 3.34Å; S93-G133 PolarHBondContact OG-N 3.43Å |
| 94 | T | 73.1 | Confident | 62.7 | Low | 53 Ų | 53 | 66.3 Ų | 66.3 | 33% | 0.325 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -79.9 | 76.9 | 171.7 | 62.1 | 0 | 0 | 0 | 0 | 108.6 | L90 L91 G96 | L90-T94 HydrophobicContact CD1-CG2 3.76Å; L90-T94 HydrophobicContact CG-CG2 4.26Å; L90-T94 WeakPolarHBondContact O-CG2 3.47Å; L90-T94 PolarHBondContact O-N 3.09Å; L90-T94 PolarHBondContact O-OG1 3.1Å; L91-T94 PolarHBondContact O-OG1 3.44Å; T94-G96 PolarHBondContact O-N 3.41Å |
| 95 | G | 53.9 | Low | 59.7 | Low | 56 Ų | 56 | 68.6 Ų | 68.6 | 58% | 0.577 | 48% | 0.48 | S | S | * | . | trans | -54.8 | 107.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S93 G97 | S93-G95 VanDerWaalsContact C-N 3.28Å; S93-G95 PolarHBondContact O-N 3.06Å; G95-G97 PolarHBondContact O-N 3.4Å | ||
| 96 | G | 42.1 | Very low | 56.8 | Low | 90 Ų | 90 | 72 Ų | 72 | 93% | 0.928 | 52% | 0.515 | S | S | * | . | S | Bend | trans | 56.6 | -10.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | T94 | T94-G96 PolarHBondContact O-N 3.41Š|
| 97 | G | 32 | Very low | 54 | Low | 59 Ų | 59 | 77.1 Ų | 77.1 | 61% | 0.608 | 55% | 0.545 | S | S | * | . | trans | -104.1 | 104.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | G95 | G95-G97 PolarHBondContact O-N 3.4Š| ||
| 98 | G | 26.5 | Very low | 51.3 | Low | 83 Ų | 83 | 75.5 Ų | 75.5 | 86% | 0.856 | 55% | 0.553 | S | S | * | * | trans | -58.2 | 158.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 99 | G | 29.8 | Very low | 48.7 | Very low | 57 Ų | 57 | 78.9 Ų | 78.9 | 59% | 0.588 | 58% | 0.576 | S | S | * | * | trans | 113.5 | 104.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S101 | G99-S101 PolarHBondContact O-N 2.97Š| ||
| 100 | T | 31.7 | Very low | 46.1 | Very low | 103 Ų | 103 | 87.1 Ų | 87.1 | 63% | 0.632 | 62% | 0.62 | S | S | * | * | S | Bend | -43.7 | 78.9 | 116 | 52 | 0 | 0 | 0 | 0 | 109.5 | A102 | T100-A102 WeakPolarHBondContact O-CB 3.43Å; T100-A102 PolarHBondContact O-N 3.06Å | |
| 101 | S | 32.6 | Very low | 43.8 | Very low | 68 Ų | 68 | 87.4 Ų | 87.4 | 48% | 0.476 | 64% | 0.64 | S | S | . | * | S | Bend | trans | 38.8 | 41.8 | 151.4 | -54.4 | 0 | 0 | 0 | 0 | 117 | G99 K234 | G99-S101 PolarHBondContact O-N 2.97Å; S101-K234 VanDerWaalsContact OG-CD 3.26Å; S101-K234 WeakPolarHBondContact OG-CD 3.27Å; S101-K234 WeakPolarHBondContact OG-CE 3.38Å; S101-K234 PolarHBondContact OG-NZ 3.49Å |
| 102 | A | 33 | Very low | 41.3 | Very low | 55 Ų | 55 | 90.4 Ų | 90.4 | 46% | 0.455 | 66% | 0.657 | S | S | . | * | trans | -111 | 20.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T100 I240 | T100-A102 WeakPolarHBondContact O-CB 3.43Å; T100-A102 PolarHBondContact O-N 3.06Å; A102-I240 HydrophobicContact CB-CD1 4.45Å | ||
| 103 | D | 29.4 | Very low | 39.1 | Very low | 156 Ų | 156 | 90.6 Ų | 90.6 | 83% | 0.834 | 68% | 0.677 | S | S | * | * | trans | -137.4 | 59.6 | 169.4 | -138.4 | -1.1 | 0 | 0 | 0 | 110.9 | ||||
| 104 | G | 33 | Very low | 36.7 | Very low | 52 Ų | 52 | 94.1 Ų | 94.1 | 54% | 0.536 | 71% | 0.713 | S | S | . | * | S | Bend | trans | -103.3 | 123.6 | 144.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||
| 105 | T | 30.7 | Very low | 34.8 | Very low | 145 Ų | 145 | 96.8 Ų | 96.8 | 89% | 0.89 | 73% | 0.734 | S | S | * | * | trans | 63.9 | 82.5 | 161.6 | 50.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 106 | G | 34 | Very low | 33.7 | Very low | 74 Ų | 74 | 99.4 Ų | 99.4 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | trans | -118.7 | 49.3 | 150.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 107 | D | 33.5 | Very low | 33.3 | Very low | 154 Ų | 154 | 99 Ų | 99 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -77.7 | 115.7 | 165.7 | -173.3 | 15 | 0 | 0 | 0 | 107.5 | ||||
| 108 | G | 34.3 | Very low | 33.1 | Very low | 67 Ų | 67 | 100 Ų | 100 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | -172.7 | 51.3 | -167.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 109 | T | 38.2 | Very low | 33.2 | Very low | 123 Ų | 123 | 100.3 Ų | 100.3 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | trans | -140.8 | 107.7 | 156.3 | 50.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 110 | D | 35.6 | Very low | 33.1 | Very low | 174 Ų | 174 | 101.3 Ų | 101.3 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | trans | -44.2 | 135.1 | 166.1 | -56.3 | -59.7 | 0 | 0 | 0 | 112 | ||||
| 111 | G | 39.6 | Very low | 32.9 | Very low | 77 Ų | 77 | 100.8 Ų | 100.8 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | trans | -175.6 | 86 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 112 | D | 35.9 | Very low | 32.7 | Very low | 179 Ų | 179 | 100.2 Ų | 100.2 | 96% | 0.957 | 78% | 0.783 | S | S | * | * | trans | -41.4 | 140.3 | 168.7 | -76.8 | -47.2 | 0 | 0 | 0 | 113.9 | ||||
| 113 | G | 38.3 | Very low | 32.8 | Very low | 77 Ų | 77 | 106.8 Ų | 106.8 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 133.6 | 104.5 | 151.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 114 | G | 34.3 | Very low | 33 | Very low | 74 Ų | 74 | 104.8 Ų | 104.8 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | 81.5 | 100.9 | 126 | 0 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 115 | S | 32.6 | Very low | 32.9 | Very low | 110 Ų | 110 | 110.1 Ų | 110.1 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | 60 | 121 | 123.7 | -152.7 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 116 | S | 31.4 | Very low | 32.9 | Very low | 110 Ų | 110 | 112 Ų | 112 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | 68.4 | 120.2 | 134.6 | 60.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 117 | G | 31.9 | Very low | 32.8 | Very low | 82 Ų | 82 | 113.6 Ų | 113.6 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | 119.9 | 122.1 | 129.5 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 118 | G | 29 | Very low | 33.3 | Very low | 80 Ų | 80 | 109.1 Ų | 109.1 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | trans | 97.7 | 100.3 | 137 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 119 | G | 27.4 | Very low | 33.9 | Very low | 89 Ų | 89 | 112.1 Ų | 112.1 | 92% | 0.918 | 77% | 0.773 | S | S | * | * | 39.7 | 132.1 | 127 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 120 | G | 28.8 | Very low | 34.7 | Very low | 79 Ų | 79 | 111.2 Ų | 111.2 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | trans | 158.7 | 125.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 121 | G | 27.3 | Very low | 36 | Very low | 91 Ų | 91 | 105.3 Ų | 105.3 | 94% | 0.938 | 73% | 0.73 | S | S | * | * | trans | -68.4 | 152.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 122 | G | 29.5 | Very low | 37.2 | Very low | 57 Ų | 57 | 102.7 Ų | 102.7 | 59% | 0.588 | 70% | 0.7 | S | S | * | * | trans | -166.1 | 56.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N124 | G122-N124 PolarHBondContact O-N 3.35Š| ||
| 123 | H | 33.2 | Very low | 39.1 | Very low | 192 Ų | 192 | 94.7 Ų | 94.7 | 89% | 0.889 | 66% | 0.66 | S | S | * | * | trans | -71.8 | 81.6 | 164.9 | -93.1 | -110.7 | 0 | 0 | 0 | 108.6 | ||||
| 124 | N | 34.5 | Very low | 41.4 | Very low | 114 Ų | 114 | 91.6 Ų | 91.6 | 61% | 0.61 | 63% | 0.625 | S | S | * | * | trans | -78.5 | 117 | 171 | -72.7 | -17.2 | 0 | 0 | 0 | 108.7 | G122 R126 | G122-N124 PolarHBondContact O-N 3.35Å; N124-R126 PolarHBondContact O-N 3.31Å | ||
| 125 | N | 31 | Very low | 43.9 | Very low | 165 Ų | 165 | 88.5 Ų | 88.5 | 88% | 0.882 | 59% | 0.591 | S | S | * | * | trans | -64.4 | 63.7 | 172.5 | -65.7 | -33.1 | 0 | 0 | 0 | 112.2 | C127 | N125-C127 PolarHBondContact O-N 3.34Š| ||
| 126 | R | 31 | Very low | 46.7 | Very low | 183 Ų | 183 | 85 Ų | 85 | 69% | 0.691 | 56% | 0.564 | S | S | * | * | trans | -95.7 | 73.4 | 173.9 | -90.6 | -174.2 | -79 | 178.1 | -5.5 | 110 | N124 | N124-R126 PolarHBondContact O-N 3.31Š| ||
| 127 | C | 31.9 | Very low | 49.6 | Very low | 109 Ų | 109 | 82.3 Ų | 82.3 | 74% | 0.736 | 54% | 0.543 | S | S | * | . | trans | -140.3 | 88.4 | 170.4 | -58.6 | 0 | 0 | 0 | 0 | 107.3 | N125 | N125-C127 PolarHBondContact O-N 3.34Š| ||
| 128 | H | 43.4 | Very low | 52.4 | Low | 60 Ų | 60 | 80.5 Ų | 80.5 | 28% | 0.278 | 52% | 0.518 | S | S | . | . | S | Bend | trans | 170.5 | 7.1 | 153.2 | -104.2 | -109.7 | 0 | 0 | 0 | 114 | D34 D130 | D34-H128 IonicContact OD2-CE1 3.8Å; D34-H128 IonicContact OD2-CG 3.73Å; D34-H128 IonicContact OD2-ND1 2.83Å; D34-H128 PolarHBondContact OD2-ND1 2.91Å; H128-D130 VanDerWaalsContact C-N 3.32Å; H128-D130 PolarHBondContact O-N 3.07Å |
| 129 | D | 47.9 | Very low | 55.4 | Low | 130 Ų | 130 | 77 Ų | 77 | 70% | 0.695 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -0.8 | -171.2 | -59.3 | -38.8 | 0 | 0 | 0 | 116.5 | ||
| 130 | D | 54.5 | Low | 58.3 | Low | 104 Ų | 104 | 72.7 Ų | 72.7 | 56% | 0.556 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | -3.7 | -170.6 | -89.3 | 27.4 | 0 | 0 | 0 | 115.2 | H128 K234 | H128-D130 VanDerWaalsContact C-N 3.32Å; H128-D130 PolarHBondContact O-N 3.07Å; D130-K234 IonicContact OD2-NZ 2.93Å; D130-K234 PolarHBondContact OD2-NZ 3.31Å |
| 131 | H | 62.9 | Low | 61.3 | Low | 49 Ų | 49 | 73.7 Ų | 73.7 | 23% | 0.227 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -131.9 | 1.3 | -168.4 | -53.1 | -36.4 | 0 | 0 | 0 | 116.8 | K148 | H131-K148 PolarHBondContact NE2-O 2.94Å; H131-K148 VanDerWaalsContact NE2-O 3.17Å |
| 132 | S | 65.3 | Low | 64.2 | Low | 22 Ų | 22 | 70 Ų | 70 | 15% | 0.154 | 38% | 0.379 | C | S | . | . | trans | -74 | 142.1 | 170.4 | -77.9 | 0 | 0 | 0 | 0 | 110.6 | D34 | D34-S132 WeakPolarHBondContact CA-OG 3.31Å; D34-S132 WeakPolarHBondContact CB-OG 3.46Å; D34-S132 PolarHBondContact OD1-OG 3.1Å | ||
| 133 | G | 76 | Confident | 66.9 | Low | 11 Ų | 11 | 67.9 Ų | 67.9 | 11% | 0.113 | 35% | 0.353 | C | S | . | . | trans | 100.8 | 27.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | E38 L90 S93 | E38-G133 WeakPolarHBondContact OE1-CA 3.22Å; E38-G133 PolarHBondContact OE1-N 3.31Å; L90-G133 WeakPolarHBondContact CD1-O 3.32Å; S93-G133 VanDerWaalsContact OG-CA 3.31Å; S93-G133 WeakPolarHBondContact OG-CA 3.34Å; S93-G133 PolarHBondContact OG-N 3.43Å | ||
| 134 | L | 85.8 | Confident | 69.5 | Low | 12 Ų | 12 | 59.2 Ų | 59.2 | 6% | 0.063 | 31% | 0.314 | C | S | . | . | trans | -73 | -38.6 | 175.4 | -55.5 | 176.7 | 0 | 0 | 0 | 111.3 | E38 N136 I139 T140 Y143 L149 Y157 | E38-L134 PolarHBondContact OE1-N 2.91Å; L134-N136 PolarHBondContact O-N 3.38Å; L134-I139 HydrophobicContact CB-CG2 4.32Å; L134-I139 HydrophobicContact CD2-CG2 3.91Å; L134-T140 HydrophobicContact CD1-CG2 4.16Å; L134-Y143 HydrophobicContact CD2-CD1 4.07Å; L134-Y143 HydrophobicContact CD2-CD2 4.26Å; L134-Y143 HydrophobicContact CD2-CE1 3.95Å; L134-Y143 HydrophobicContact CD2-CE2 4.16Å; L134-Y143 HydrophobicContact CD2-CG 4.22Å; L134-L149 HydrophobicContact CD1-CD2 4.28Å; L134-Y157 HydrophobicContact CD1-CD1 4.28Å; L134-Y157 HydrophobicContact CD1-CE1 4.3Å | ||
| 135 | L | 87.8 | Confident | 72 | Confident | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.047 | 32% | 0.315 | C | S | . | . | trans | 53.9 | 16.9 | 172.7 | -53.8 | 177.6 | 0 | 0 | 0 | 114.8 | E38 G41 L90 | E38-L135 WeakPolarHBondContact OE2-CA 3.37Å; E38-L135 PolarHBondContact OE2-N 3.26Å; G41-L135 VanDerWaalsContact C-CD2 3.49Å; L90-L135 HydrophobicContact CB-CD1 4.31Å; L90-L135 VanDerWaalsContact N-CD1 3.32Å | ||
| 136 | N | 90.7 | Very high | 74.6 | Confident | 37 Ų | 37 | 56 Ų | 56 | 20% | 0.198 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -158.3 | 125.3 | -173 | -172.8 | -54.8 | 0 | 0 | 0 | 110 | L134 S138 I139 T140 Q161 | L134-N136 PolarHBondContact O-N 3.38Å; N136-S138 VanDerWaalsContact C-N 3.28Å; N136-S138 PolarHBondContact O-N 2.9Å; N136-S138 WeakPolarHBondContact OD1-CA 3.31Å; N136-S138 VanDerWaalsContact OD1-CB 3.23Å; N136-S138 WeakPolarHBondContact OD1-CB 3.41Å; N136-S138 PolarHBondContact OD1-N 3.18Å; N136-I139 HydrophobicContact CB-CB 4.24Å; N136-I139 HydrophobicContact CB-CD1 4.01Å; N136-I139 HydrophobicContact CB-CG1 3.98Å; N136-I139 PolarHBondContact O-N 3.39Å; N136-I139 PolarHBondContact OD1-N 3.41Å; N136-T140 PolarHBondContact O-N 3.02Å; N136-T140 PolarHBondContact O-OG1 3.17Å; N136-Q161 VanDerWaalsContact C-OE1 3.28Å |
| 137 | P | 91.7 | Very high | 76.9 | Confident | 53 Ų | 53 | 50.2 Ų | 50.2 | 34% | 0.344 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60 | -34.7 | 178.6 | -27.2 | 35.3 | 0 | 0 | 0 | 113.8 | T140 F141 T158 Q161 | P137-T140 WeakPolarHBondContact O-CB 3.48Å; P137-T140 PolarHBondContact O-N 3.14Å; P137-F141 WeakPolarHBondContact O-CB 3.41Å; P137-F141 PolarHBondContact O-N 3.41Å; P137-T158 HydrophobicContact CB-CG2 3.83Å; P137-T158 HydrophobicContact CG-CG2 3.86Å; P137-Q161 VanDerWaalsContact CD-OE1 3.22Å |
| 138 | S | 91.6 | Very high | 79.1 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 32% | 0.315 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.1 | -37.7 | 179.5 | -52.6 | 0 | 0 | 0 | 0 | 112.3 | N136 F141 A142 | N136-S138 VanDerWaalsContact C-N 3.28Å; N136-S138 PolarHBondContact O-N 2.9Å; N136-S138 WeakPolarHBondContact OD1-CA 3.31Å; N136-S138 VanDerWaalsContact OD1-CB 3.23Å; N136-S138 WeakPolarHBondContact OD1-CB 3.41Å; N136-S138 PolarHBondContact OD1-N 3.18Å; S138-F141 PolarHBondContact O-N 3.33Å; S138-A142 PolarHBondContact O-N 3.1Å |
| 139 | I | 90.6 | Very high | 80.9 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68.1 | -42.9 | 172.2 | -60.4 | 179.5 | 0 | 0 | 0 | 109.7 | L134 N136 F141 A142 Y143 Y224 I225 I228 | L134-I139 HydrophobicContact CB-CG2 4.32Å; L134-I139 HydrophobicContact CD2-CG2 3.91Å; N136-I139 HydrophobicContact CB-CB 4.24Å; N136-I139 HydrophobicContact CB-CD1 4.01Å; N136-I139 HydrophobicContact CB-CG1 3.98Å; N136-I139 PolarHBondContact O-N 3.39Å; N136-I139 PolarHBondContact OD1-N 3.41Å; I139-F141 VanDerWaalsContact C-N 3.26Å; I139-F141 PolarHBondContact O-N 3Å; I139-A142 PolarHBondContact O-N 3Å; I139-A142 VanDerWaalsContact O-N 3.12Å; I139-Y143 HydrophobicContact CG2-CD2 3.8Å; I139-Y143 HydrophobicContact CG2-CE2 3.7Å; I139-Y143 WeakPolarHBondContact O-CD2 3.14Å; I139-Y143 PolarHBondContact O-N 3.07Å; I139-Y224 HydrophobicContact CD1-CE1 3.72Å; I139-Y224 VanDerWaalsContact CD1-OH 3.28Å; I139-Y224 WeakPolarHBondContact CD1-OH 3.47Å; I139-Y224 HydrophobicContact CG1-CE1 3.88Å; I139-I225 HydrophobicContact CG1-CG1 4.43Å; I139-I228 HydrophobicContact CD1-CG2 4.42Å |
| 140 | T | 89.8 | Confident | 82.7 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.4 | -45.5 | 175.4 | -51.6 | 0 | 0 | 0 | 0 | 110.8 | L134 N136 P137 Y143 C144 L149 L154 Y157 Q161 | L134-T140 HydrophobicContact CD1-CG2 4.16Å; N136-T140 PolarHBondContact O-N 3.02Å; N136-T140 PolarHBondContact O-OG1 3.17Å; P137-T140 WeakPolarHBondContact O-CB 3.48Å; P137-T140 PolarHBondContact O-N 3.14Å; T140-Y143 PolarHBondContact O-N 3.22Å; T140-C144 PolarHBondContact O-N 3.42Å; T140-C144 PolarHBondContact O-SG 3.3Å; T140-L149 HydrophobicContact CG2-CD2 3.84Å; T140-L154 HydrophobicContact CG2-CD1 3.79Å; T140-Y157 HydrophobicContact CG2-CD1 3.95Å; T140-Y157 HydrophobicContact CG2-CG 4.38Å; T140-Q161 PolarHBondContact OG1-NE2 3.21Å |
| 141 | F | 90.7 | Very high | 84.2 | Confident | 100 Ų | 100 | 43 Ų | 43 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 175.6 | -174.8 | -119.1 | 0 | 0 | 0 | 112.8 | P137 S138 I139 Y143 C144 L145 L154 | P137-F141 WeakPolarHBondContact O-CB 3.41Å; P137-F141 PolarHBondContact O-N 3.41Å; S138-F141 PolarHBondContact O-N 3.33Å; I139-F141 VanDerWaalsContact C-N 3.26Å; I139-F141 PolarHBondContact O-N 3Å; F141-Y143 VanDerWaalsContact C-N 3.33Å; F141-Y143 PolarHBondContact O-N 2.85Å; F141-C144 WeakPolarHBondContact O-CA 3.43Å; F141-C144 WeakPolarHBondContact O-CB 3.14Å; F141-C144 PolarHBondContact O-N 3.38Å; F141-C144 VanDerWaalsContact O-N 3.1Å; F141-L145 HydrophobicContact CD1-CD1 4.05Å; F141-L145 HydrophobicContact CE1-CD1 3.64Å; F141-L145 HydrophobicContact CE1-CG 4.16Å; F141-L145 HydrophobicContact CE2-CD2 4.37Å; F141-L145 HydrophobicContact CE2-CG 4.4Å; F141-L145 HydrophobicContact CZ-CD1 4.02Å; F141-L145 HydrophobicContact CZ-CD2 4.04Å; F141-L145 HydrophobicContact CZ-CG 4.11Å; F141-L145 PolarHBondContact O-N 2.9Å; F141-L154 HydrophobicContact CB-CD1 3.93Å; F141-L154 HydrophobicContact CD2-CD1 4.33Å; F141-L154 HydrophobicContact CD2-CD2 3.66Å; F141-L154 HydrophobicContact CE2-CD2 4.3Å |
| 142 | A | 88.9 | Confident | 85.2 | Confident | 12 Ų | 12 | 51.2 Ų | 51.2 | 10% | 0.099 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S138 I139 C144 L145 I146 I225 | S138-A142 PolarHBondContact O-N 3.1Å; I139-A142 PolarHBondContact O-N 3Å; I139-A142 VanDerWaalsContact O-N 3.12Å; A142-C144 VanDerWaalsContact C-N 3.29Å; A142-C144 PolarHBondContact O-N 3.47Å; A142-L145 PolarHBondContact O-N 2.94Å; A142-I146 WeakPolarHBondContact O-CG1 3.23Å; A142-I146 PolarHBondContact O-N 3.25Å; A142-I146 VanDerWaalsContact O-N 3.09Å; A142-I225 HydrophobicContact CB-CD1 4.5Å; A142-I225 HydrophobicContact CB-CG2 3.7Å |
| 143 | Y | 86.1 | Confident | 86.1 | Confident | 14 Ų | 14 | 53.1 Ų | 53.1 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.1 | -34.4 | 175.2 | -87.8 | -122.9 | 0 | 0 | 0 | 112 | L134 I139 T140 F141 G147 K148 L149 L229 T232 | L134-Y143 HydrophobicContact CD2-CD1 4.07Å; L134-Y143 HydrophobicContact CD2-CD2 4.26Å; L134-Y143 HydrophobicContact CD2-CE1 3.95Å; L134-Y143 HydrophobicContact CD2-CE2 4.16Å; L134-Y143 HydrophobicContact CD2-CG 4.22Å; I139-Y143 HydrophobicContact CG2-CD2 3.8Å; I139-Y143 HydrophobicContact CG2-CE2 3.7Å; I139-Y143 WeakPolarHBondContact O-CD2 3.14Å; I139-Y143 PolarHBondContact O-N 3.07Å; T140-Y143 PolarHBondContact O-N 3.22Å; F141-Y143 VanDerWaalsContact C-N 3.33Å; F141-Y143 PolarHBondContact O-N 2.85Å; Y143-G147 PolarHBondContact O-N 2.89Å; Y143-K148 HydrophobicContact CD1-CB 4.01Å; Y143-K148 HydrophobicContact CD1-CD 4.28Å; Y143-K148 HydrophobicContact CE1-CD 4.24Å; Y143-K148 PolarHBondContact O-N 3.08Å; Y143-L149 PolarHBondContact O-N 3.5Å; Y143-L149 VanDerWaalsContact O-N 3.13Å; Y143-L229 HydrophobicContact CD2-CD2 4.28Å; Y143-L229 HydrophobicContact CE2-CD2 3.91Å; Y143-T232 WeakPolarHBondContact OH-CG2 3.42Å |
| 144 | C | 87.2 | Confident | 86.7 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 6% | 0.061 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 172.1 | -68.6 | 0 | 0 | 0 | 0 | 113.1 | T140 F141 A142 G147 L149 L151 | T140-C144 PolarHBondContact O-N 3.42Å; T140-C144 PolarHBondContact O-SG 3.3Å; F141-C144 WeakPolarHBondContact O-CA 3.43Å; F141-C144 WeakPolarHBondContact O-CB 3.14Å; F141-C144 PolarHBondContact O-N 3.38Å; F141-C144 VanDerWaalsContact O-N 3.1Å; A142-C144 VanDerWaalsContact C-N 3.29Å; A142-C144 PolarHBondContact O-N 3.47Å; C144-G147 PolarHBondContact O-N 3.21Å; C144-L149 VanDerWaalsContact CA-O 3.31Å; C144-L149 WeakPolarHBondContact CA-O 3.41Å; C144-L151 HydrophobicContact CB-CD2 3.5Å; C144-L151 HydrophobicContact CB-CG 4.06Å |
| 145 | L | 88 | Confident | 86.9 | Confident | 121 Ų | 121 | 59.1 Ų | 59.1 | 63% | 0.634 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -68.1 | -37.7 | 178.3 | -71.3 | 177.1 | 0 | 0 | 0 | 113 | F141 A142 G147 | F141-L145 HydrophobicContact CD1-CD1 4.05Å; F141-L145 HydrophobicContact CE1-CD1 3.64Å; F141-L145 HydrophobicContact CE1-CG 4.16Å; F141-L145 HydrophobicContact CE2-CD2 4.37Å; F141-L145 HydrophobicContact CE2-CG 4.4Å; F141-L145 HydrophobicContact CZ-CD1 4.02Å; F141-L145 HydrophobicContact CZ-CD2 4.04Å; F141-L145 HydrophobicContact CZ-CG 4.11Å; F141-L145 PolarHBondContact O-N 2.9Å; A142-L145 PolarHBondContact O-N 2.94Å; L145-G147 PolarHBondContact O-N 3.49Å |
| 146 | I | 84.9 | Confident | 87 | Confident | 90 Ų | 90 | 60.6 Ų | 60.6 | 46% | 0.462 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -73.2 | -14.3 | 177.8 | -63.2 | 166.1 | 0 | 0 | 0 | 111.4 | A142 K148 L229 | A142-I146 WeakPolarHBondContact O-CG1 3.23Å; A142-I146 PolarHBondContact O-N 3.25Å; A142-I146 VanDerWaalsContact O-N 3.09Å; I146-K148 VanDerWaalsContact C-N 3.32Å; I146-K148 HydrophobicContact CG2-CD 4.43Å; I146-K148 HydrophobicContact CG2-CG 4.07Å; I146-L229 HydrophobicContact CD1-CD1 3.66Å; I146-L229 HydrophobicContact CD1-CD2 3.35Å; I146-L229 HydrophobicContact CD1-CG 4.11Å |
| 147 | G | 80.2 | Confident | 86.9 | Confident | 63 Ų | 63 | 58.9 Ų | 58.9 | 65% | 0.649 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 11 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y143 C144 L145 L149 | Y143-G147 PolarHBondContact O-N 2.89Å; C144-G147 PolarHBondContact O-N 3.21Å; L145-G147 PolarHBondContact O-N 3.49Å; G147-L149 VanDerWaalsContact C-N 3.33Å |
| 148 | K | 78 | Confident | 87 | Confident | 80 Ų | 80 | 58.5 Ų | 58.5 | 35% | 0.348 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -71.3 | -30.2 | 171.2 | -74.9 | -173.5 | 177 | -179.8 | 0 | 111.6 | H131 Y143 I146 | H131-K148 PolarHBondContact NE2-O 2.94Å; H131-K148 VanDerWaalsContact NE2-O 3.17Å; Y143-K148 HydrophobicContact CD1-CB 4.01Å; Y143-K148 HydrophobicContact CD1-CD 4.28Å; Y143-K148 HydrophobicContact CE1-CD 4.24Å; Y143-K148 PolarHBondContact O-N 3.08Å; I146-K148 VanDerWaalsContact C-N 3.32Å; I146-K148 HydrophobicContact CG2-CD 4.43Å; I146-K148 HydrophobicContact CG2-CG 4.07Å |
| 149 | L | 80.1 | Confident | 87 | Confident | 8 Ų | 8 | 60.2 Ų | 60.2 | 4% | 0.042 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -124.7 | 136.6 | 177.6 | -172.7 | 66.1 | 0 | 0 | 0 | 110.1 | L134 T140 Y143 C144 G147 L151 Y153 Y157 | L134-L149 HydrophobicContact CD1-CD2 4.28Å; T140-L149 HydrophobicContact CG2-CD2 3.84Å; Y143-L149 PolarHBondContact O-N 3.5Å; Y143-L149 VanDerWaalsContact O-N 3.13Å; C144-L149 VanDerWaalsContact CA-O 3.31Å; C144-L149 WeakPolarHBondContact CA-O 3.41Å; G147-L149 VanDerWaalsContact C-N 3.33Å; L149-L151 PolarHBondContact O-N 2.86Å; L149-Y153 HydrophobicContact CD1-CD2 3.45Å; L149-Y153 VanDerWaalsContact CD1-CD2 3.45Å; L149-Y153 HydrophobicContact CD1-CE2 4.27Å; L149-Y153 HydrophobicContact CD1-CG 3.93Å; L149-Y153 HydrophobicContact CG-CD2 3.93Å; L149-Y153 HydrophobicContact CG-CG 4.35Å; L149-Y157 HydrophobicContact CD2-CD1 4.46Å; L149-Y157 HydrophobicContact CD2-CE1 4.38Å |
| 150 | S | 85.6 | Confident | 87.1 | Confident | 53 Ų | 53 | 62.1 Ų | 62.1 | 37% | 0.371 | 32% | 0.322 | S | S | . | . | trans | -66.8 | 137.8 | 173.8 | 93 | 0 | 0 | 0 | 0 | 110.6 | R152 Y153 | S150-R152 PolarHBondContact O-N 3.44Å; S150-Y153 WeakPolarHBondContact O-CD2 2.99Å; S150-Y153 PolarHBondContact O-N 3.08Å; S150-Y153 WeakPolarHBondContact OG-CD2 3.34Å; S150-Y153 WeakPolarHBondContact OG-CE2 3.16Å | ||
| 151 | L | 85.6 | Confident | 87.3 | Confident | 109 Ų | 109 | 62.4 Ų | 62.4 | 57% | 0.571 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -55.6 | -18.9 | 179.7 | -82.5 | 167.6 | 0 | 0 | 0 | 114.1 | C144 L149 Y153 L154 | C144-L151 HydrophobicContact CB-CD2 3.5Å; C144-L151 HydrophobicContact CB-CG 4.06Å; L149-L151 PolarHBondContact O-N 2.86Å; L151-Y153 PolarHBondContact O-N 3.3Å; L151-L154 HydrophobicContact CD2-CD2 4.39Å; L151-L154 WeakPolarHBondContact O-CB 3.41Å; L151-L154 PolarHBondContact O-N 3Å |
| 152 | R | 85.7 | Confident | 87.5 | Confident | 222 Ų | 222 | 62.4 Ų | 62.4 | 84% | 0.838 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -66.7 | -22.7 | 177.6 | -59.4 | 178 | -178.6 | 177.8 | 0.4 | 112.8 | S150 P156 | S150-R152 PolarHBondContact O-N 3.44Å; R152-P156 WeakPolarHBondContact O-CD 3.43Å |
| 153 | Y | 83.4 | Confident | 87.8 | Confident | 63 Ų | 63 | 67.5 Ų | 67.5 | 25% | 0.247 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -85.9 | -17.9 | 179.9 | -59.4 | -61.9 | 0 | 0 | 0 | 113.6 | F31 L149 S150 L151 I155 P156 Y157 | F31-Y153 AromaticContact CD2-CD1 3.52Å; F31-Y153 HydrophobicContact CD2-CD1 3.52Å; F31-Y153 AromaticContact CD2-CE1 3.49Å; F31-Y153 HydrophobicContact CD2-CE1 3.49Å; F31-Y153 VanDerWaalsContact CD2-CE1 3.49Å; F31-Y153 AromaticContact CE2-CD1 3.34Å; F31-Y153 HydrophobicContact CE2-CD1 3.34Å; F31-Y153 AromaticContact CE2-CE1 3.8Å; F31-Y153 HydrophobicContact CE2-CE1 3.8Å; F31-Y153 HydrophobicContact CE2-CG 4.46Å; F31-Y153 HydrophobicContact CG-CE1 4.31Å; F31-Y153 HydrophobicContact CZ-CD1 4.31Å; L149-Y153 HydrophobicContact CD1-CD2 3.45Å; L149-Y153 VanDerWaalsContact CD1-CD2 3.45Å; L149-Y153 HydrophobicContact CD1-CE2 4.27Å; L149-Y153 HydrophobicContact CD1-CG 3.93Å; L149-Y153 HydrophobicContact CG-CD2 3.93Å; L149-Y153 HydrophobicContact CG-CG 4.35Å; S150-Y153 WeakPolarHBondContact O-CD2 2.99Å; S150-Y153 PolarHBondContact O-N 3.08Å; S150-Y153 WeakPolarHBondContact OG-CD2 3.34Å; S150-Y153 WeakPolarHBondContact OG-CE2 3.16Å; L151-Y153 PolarHBondContact O-N 3.3Å; Y153-I155 PolarHBondContact O-N 3.49Å; Y153-P156 WeakPolarHBondContact O-CD 2.98Å; Y153-Y157 WeakPolarHBondContact O-CB 3.47Å; Y153-Y157 PolarHBondContact O-N 3.39Å; Y153-Y157 VanDerWaalsContact O-N 3.1Å |
| 154 | L | 88.2 | Confident | 88.2 | Confident | 31 Ų | 31 | 66.9 Ų | 66.9 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.6 | -50.2 | -176.5 | 178.2 | 63.3 | 0 | 0 | 0 | 112.7 | T140 F141 L151 T158 | T140-L154 HydrophobicContact CG2-CD1 3.79Å; F141-L154 HydrophobicContact CB-CD1 3.93Å; F141-L154 HydrophobicContact CD2-CD1 4.33Å; F141-L154 HydrophobicContact CD2-CD2 3.66Å; F141-L154 HydrophobicContact CE2-CD2 4.3Å; L151-L154 HydrophobicContact CD2-CD2 4.39Å; L151-L154 WeakPolarHBondContact O-CB 3.41Å; L151-L154 PolarHBondContact O-N 3Å; L154-T158 VanDerWaalsContact O-CB 3.3Å; L154-T158 WeakPolarHBondContact O-CB 3.37Å; L154-T158 PolarHBondContact O-N 2.99Å; L154-T158 PolarHBondContact O-OG1 2.93Å |
| 155 | I | 90.8 | Very high | 88.6 | Confident | 118 Ų | 118 | 67.8 Ų | 67.8 | 61% | 0.605 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -67.6 | -51.5 | -174.6 | -63.9 | 170.3 | 0 | 0 | 0 | 110.8 | Y153 Y157 T158 I159 | Y153-I155 PolarHBondContact O-N 3.49Å; I155-Y157 PolarHBondContact O-N 2.95Å; I155-T158 PolarHBondContact O-N 3.18Å; I155-I159 HydrophobicContact CG2-CD1 3.66Å; I155-I159 HydrophobicContact CG2-CG1 4.41Å; I155-I159 VanDerWaalsContact O-CG1 3.3Å; I155-I159 WeakPolarHBondContact O-CG1 3.37Å; I155-I159 PolarHBondContact O-N 2.82Å |
| 156 | P | 89.5 | Confident | 89 | Confident | 40 Ų | 40 | 66.5 Ų | 66.5 | 26% | 0.26 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -57.7 | -43 | 176.7 | -26.6 | 34.8 | 0 | 0 | 0 | 114.1 | F31 R152 Y153 I159 L160 | F31-P156 HydrophobicContact CE2-CB 4.35Å; F31-P156 HydrophobicContact CZ-CB 3.59Å; F31-P156 HydrophobicContact CZ-CG 3.85Å; R152-P156 WeakPolarHBondContact O-CD 3.43Å; Y153-P156 WeakPolarHBondContact O-CD 2.98Å; P156-I159 PolarHBondContact O-N 2.89Å; P156-L160 WeakPolarHBondContact O-CG 3.48Å; P156-L160 PolarHBondContact O-N 2.76Å |
| 157 | Y | 89.2 | Confident | 89.5 | Confident | 1 Ų | 1 | 65.5 Ų | 65.5 | 0% | 0.004 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 179 | -84 | -154.1 | 0 | 0 | 0 | 111.3 | F31 D34 E38 L134 T140 L149 Y153 I155 I159 L160 Q161 | F31-Y157 HydrophobicContact CD2-CE2 4.48Å; F31-Y157 HydrophobicContact CE2-CD2 4.41Å; F31-Y157 AromaticContact CE2-CE2 3.98Å; F31-Y157 HydrophobicContact CE2-CE2 3.98Å; D34-Y157 HydrophobicContact CB-CE2 4.32Å; D34-Y157 WeakPolarHBondContact CB-OH 3.42Å; E38-Y157 HydrophobicContact CG-CD1 3.92Å; E38-Y157 HydrophobicContact CG-CE1 4Å; E38-Y157 HydrophobicContact CG-CG 4.24Å; L134-Y157 HydrophobicContact CD1-CD1 4.28Å; L134-Y157 HydrophobicContact CD1-CE1 4.3Å; T140-Y157 HydrophobicContact CG2-CD1 3.95Å; T140-Y157 HydrophobicContact CG2-CG 4.38Å; L149-Y157 HydrophobicContact CD2-CD1 4.46Å; L149-Y157 HydrophobicContact CD2-CE1 4.38Å; Y153-Y157 WeakPolarHBondContact O-CB 3.47Å; Y153-Y157 PolarHBondContact O-N 3.39Å; Y153-Y157 VanDerWaalsContact O-N 3.1Å; I155-Y157 PolarHBondContact O-N 2.95Å; Y157-I159 VanDerWaalsContact C-N 3.31Å; Y157-I159 PolarHBondContact O-N 2.9Å; Y157-L160 PolarHBondContact O-N 2.85Å; Y157-Q161 WeakPolarHBondContact O-CB 3.25Å; Y157-Q161 WeakPolarHBondContact O-CG 3.5Å; Y157-Q161 PolarHBondContact O-N 3.49Å |
| 158 | T | 92.1 | Very high | 90.3 | Very high | 45 Ų | 45 | 62.5 Ų | 62.5 | 28% | 0.276 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 178.8 | -59.6 | 0 | 0 | 0 | 0 | 111.6 | P137 L154 I155 L162 | P137-T158 HydrophobicContact CB-CG2 3.83Å; P137-T158 HydrophobicContact CG-CG2 3.86Å; L154-T158 VanDerWaalsContact O-CB 3.3Å; L154-T158 WeakPolarHBondContact O-CB 3.37Å; L154-T158 PolarHBondContact O-N 2.99Å; L154-T158 PolarHBondContact O-OG1 2.93Å; I155-T158 PolarHBondContact O-N 3.18Å; T158-L162 WeakPolarHBondContact O-CB 3.29Å; T158-L162 PolarHBondContact O-N 3.43Å |
| 159 | I | 93.5 | Very high | 91.1 | Very high | 80 Ų | 80 | 60.4 Ų | 60.4 | 41% | 0.41 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 178.1 | -70.4 | 170.3 | 0 | 0 | 0 | 110.7 | I155 P156 Y157 L162 F163 | I155-I159 HydrophobicContact CG2-CD1 3.66Å; I155-I159 HydrophobicContact CG2-CG1 4.41Å; I155-I159 VanDerWaalsContact O-CG1 3.3Å; I155-I159 WeakPolarHBondContact O-CG1 3.37Å; I155-I159 PolarHBondContact O-N 2.82Å; P156-I159 PolarHBondContact O-N 2.89Å; Y157-I159 VanDerWaalsContact C-N 3.31Å; Y157-I159 PolarHBondContact O-N 2.9Å; I159-L162 WeakPolarHBondContact O-CB 3.45Å; I159-L162 PolarHBondContact O-N 2.98Å; I159-F163 HydrophobicContact CG2-CD2 3.67Å; I159-F163 HydrophobicContact CG2-CE2 3.56Å; I159-F163 WeakPolarHBondContact O-CD2 3.48Å; I159-F163 PolarHBondContact O-N 2.75Å |
| 160 | L | 92.3 | Very high | 91.9 | Very high | 46 Ų | 46 | 67.4 Ų | 67.4 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -72.4 | -36.3 | -179.8 | -72.1 | 176.6 | 0 | 0 | 0 | 113.1 | C35 F39 P156 Y157 L162 F163 G164 | C35-L160 HydrophobicContact CB-CD1 3.23Å; F39-L160 HydrophobicContact CB-CB 4.39Å; F39-L160 WeakPolarHBondContact CD2-O 3.37Å; P156-L160 WeakPolarHBondContact O-CG 3.48Å; P156-L160 PolarHBondContact O-N 2.76Å; Y157-L160 PolarHBondContact O-N 2.85Å; L160-L162 VanDerWaalsContact C-N 3.29Å; L160-L162 PolarHBondContact O-N 2.83Å; L160-F163 PolarHBondContact O-N 2.79Å; L160-G164 PolarHBondContact O-N 3.36Å |
| 161 | Q | 93.7 | Very high | 92.4 | Very high | 5 Ų | 5 | 67.4 Ų | 67.4 | 2% | 0.023 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 169.9 | -72.1 | 162.9 | -4.6 | 0 | 0 | 110.4 | E38 T42 N136 P137 T140 Y157 G164 S165 | E38-Q161 HydrophobicContact CB-CG 4.31Å; E38-Q161 PolarHBondContact OE2-NE2 3.03Å; T42-Q161 HydrophobicContact CG2-CB 4.46Å; T42-Q161 VanDerWaalsContact CG2-O 3.28Å; T42-Q161 WeakPolarHBondContact CG2-O 3.45Å; N136-Q161 VanDerWaalsContact C-OE1 3.28Å; P137-Q161 VanDerWaalsContact CD-OE1 3.22Å; T140-Q161 PolarHBondContact OG1-NE2 3.21Å; Y157-Q161 WeakPolarHBondContact O-CB 3.25Å; Y157-Q161 WeakPolarHBondContact O-CG 3.5Å; Y157-Q161 PolarHBondContact O-N 3.49Å; Q161-G164 PolarHBondContact O-N 3.27Å; Q161-S165 PolarHBondContact O-N 3.2Å |
| 162 | L | 94.6 | Very high | 92.8 | Very high | 100 Ų | 100 | 62.4 Ų | 62.4 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 175.5 | 179.9 | 64.5 | 0 | 0 | 0 | 112.5 | T158 I159 L160 G164 S165 I166 | T158-L162 WeakPolarHBondContact O-CB 3.29Å; T158-L162 PolarHBondContact O-N 3.43Å; I159-L162 WeakPolarHBondContact O-CB 3.45Å; I159-L162 PolarHBondContact O-N 2.98Å; L160-L162 VanDerWaalsContact C-N 3.29Å; L160-L162 PolarHBondContact O-N 2.83Å; L162-G164 VanDerWaalsContact C-N 3.27Å; L162-G164 PolarHBondContact O-N 3.31Å; L162-S165 PolarHBondContact O-N 3.46Å; L162-S165 PolarHBondContact O-OG 2.85Å; L162-I166 HydrophobicContact CD1-CD1 4.25Å; L162-I166 HydrophobicContact CD1-CG1 4.5Å; L162-I166 HydrophobicContact CG-CD1 4.04Å; L162-I166 VanDerWaalsContact O-CG1 3.27Å; L162-I166 WeakPolarHBondContact O-CG1 3.41Å; L162-I166 PolarHBondContact O-N 3.3Å |
| 163 | F | 95.4 | Very high | 93.2 | Very high | 120 Ų | 120 | 53.9 Ų | 53.9 | 53% | 0.526 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.1 | -37.8 | 174.3 | -82.7 | -67.6 | 0 | 0 | 0 | 111.8 | F39 I159 L160 S165 I166 L167 | F39-F163 HydrophobicContact CD2-CB 4.14Å; F39-F163 HydrophobicContact CE2-CB 3.91Å; I159-F163 HydrophobicContact CG2-CD2 3.67Å; I159-F163 HydrophobicContact CG2-CE2 3.56Å; I159-F163 WeakPolarHBondContact O-CD2 3.48Å; I159-F163 PolarHBondContact O-N 2.75Å; L160-F163 PolarHBondContact O-N 2.79Å; F163-S165 VanDerWaalsContact C-N 3.34Å; F163-I166 PolarHBondContact O-N 3Å; F163-L167 WeakPolarHBondContact O-CB 3.24Å; F163-L167 PolarHBondContact O-N 2.93Å |
| 164 | G | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T43 L160 Q161 L162 L167 G168 | T43-G164 VanDerWaalsContact CA-O 3.28Å; T43-G164 WeakPolarHBondContact CA-O 3.27Å; T43-G164 VanDerWaalsContact OG1-CA 3.22Å; T43-G164 WeakPolarHBondContact OG1-CA 2.9Å; T43-G164 PolarHBondContact OG1-O 2.78Å; L160-G164 PolarHBondContact O-N 3.36Å; Q161-G164 PolarHBondContact O-N 3.27Å; L162-G164 VanDerWaalsContact C-N 3.27Å; L162-G164 PolarHBondContact O-N 3.31Å; G164-L167 PolarHBondContact O-N 2.85Å; G164-G168 PolarHBondContact O-N 2.97Å |
| 165 | S | 94.9 | Very high | 94.1 | Very high | 28 Ų | 28 | 58.2 Ų | 58.2 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.4 | -38.7 | 178 | 71.5 | 0 | 0 | 0 | 0 | 113 | Q161 L162 F163 G168 T169 | Q161-S165 PolarHBondContact O-N 3.2Å; L162-S165 PolarHBondContact O-N 3.46Å; L162-S165 PolarHBondContact O-OG 2.85Å; F163-S165 VanDerWaalsContact C-N 3.34Å; S165-G168 PolarHBondContact O-N 3.38Å; S165-T169 WeakPolarHBondContact O-CB 3.4Å; S165-T169 PolarHBondContact O-N 3.04Å; S165-T169 PolarHBondContact O-OG1 3.46Å |
| 166 | I | 96.2 | Very high | 94.2 | Very high | 94 Ų | 94 | 54.5 Ų | 54.5 | 48% | 0.482 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.5 | -47 | 173.8 | -68.4 | 165.8 | 0 | 0 | 0 | 110.3 | L162 F163 T169 Y170 | L162-I166 HydrophobicContact CD1-CD1 4.25Å; L162-I166 HydrophobicContact CD1-CG1 4.5Å; L162-I166 HydrophobicContact CG-CD1 4.04Å; L162-I166 VanDerWaalsContact O-CG1 3.27Å; L162-I166 WeakPolarHBondContact O-CG1 3.41Å; L162-I166 PolarHBondContact O-N 3.3Å; F163-I166 PolarHBondContact O-N 3Å; I166-T169 PolarHBondContact O-N 3.35Å; I166-Y170 PolarHBondContact O-N 3.3Å |
| 167 | L | 96.5 | Very high | 94.3 | Very high | 69 Ų | 69 | 58.8 Ų | 58.8 | 36% | 0.361 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 178.2 | -178.4 | 65 | 0 | 0 | 0 | 111.6 | F39 T43 F163 G164 T169 Y170 I171 | F39-L167 HydrophobicContact CE1-CD2 4.1Å; F39-L167 HydrophobicContact CE2-CD2 4.46Å; F39-L167 HydrophobicContact CZ-CB 4.5Å; F39-L167 HydrophobicContact CZ-CD2 3.54Å; T43-L167 HydrophobicContact CG2-CD2 4.26Å; T43-L167 HydrophobicContact CG2-CG 4.31Å; F163-L167 WeakPolarHBondContact O-CB 3.24Å; F163-L167 PolarHBondContact O-N 2.93Å; G164-L167 PolarHBondContact O-N 2.85Å; L167-T169 VanDerWaalsContact C-N 3.31Å; L167-T169 PolarHBondContact O-N 3.02Å; L167-Y170 PolarHBondContact O-N 3.32Å; L167-I171 HydrophobicContact CD1-CD1 4.27Å; L167-I171 HydrophobicContact CG-CD1 3.99Å; L167-I171 WeakPolarHBondContact O-CG1 3.42Å; L167-I171 PolarHBondContact O-N 3.28Å |
| 168 | G | 95.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G164 S165 I171 I172 | G164-G168 PolarHBondContact O-N 2.97Å; S165-G168 PolarHBondContact O-N 3.38Å; G168-I171 PolarHBondContact O-N 3.03Å; G168-I172 PolarHBondContact O-N 3.08Å |
| 169 | T | 95.3 | Very high | 94.2 | Very high | 36 Ų | 36 | 66.5 Ų | 66.5 | 22% | 0.221 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 175.8 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | L50 S165 I166 L167 I171 I172 I173 L201 | L50-T169 HydrophobicContact CD1-CG2 4.06Å; S165-T169 WeakPolarHBondContact O-CB 3.4Å; S165-T169 PolarHBondContact O-N 3.04Å; S165-T169 PolarHBondContact O-OG1 3.46Å; I166-T169 PolarHBondContact O-N 3.35Å; L167-T169 VanDerWaalsContact C-N 3.31Å; L167-T169 PolarHBondContact O-N 3.02Å; T169-I171 PolarHBondContact O-N 2.85Å; T169-I172 WeakPolarHBondContact O-CG2 3.38Å; T169-I172 PolarHBondContact O-N 2.93Å; T169-I173 HydrophobicContact CG2-CD1 3.92Å; T169-I173 HydrophobicContact CG2-CG1 4.47Å; T169-I173 WeakPolarHBondContact O-CB 3.24Å; T169-I173 VanDerWaalsContact O-CG1 3.24Å; T169-I173 WeakPolarHBondContact O-CG1 3.2Å; T169-I173 PolarHBondContact O-N 2.9Å; T169-L201 HydrophobicContact CG2-CD2 4.38Å |
| 170 | Y | 95.6 | Very high | 94 | Very high | 155 Ų | 155 | 63.2 Ų | 63.2 | 61% | 0.608 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63 | -42.3 | 176 | 179.6 | -100.3 | 0 | 0 | 0 | 112.3 | I166 L167 I173 T174 | I166-Y170 PolarHBondContact O-N 3.3Å; L167-Y170 PolarHBondContact O-N 3.32Å; Y170-I173 PolarHBondContact O-N 2.69Å; Y170-T174 HydrophobicContact CE1-CG2 4.31Å; Y170-T174 PolarHBondContact O-N 3.06Å; Y170-T174 VanDerWaalsContact O-N 3.09Å; Y170-T174 PolarHBondContact O-OG1 3.23Å |
| 171 | I | 96.8 | Very high | 93.8 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 28% | 0.277 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 176.8 | -68.1 | 166.4 | 0 | 0 | 0 | 110.8 | T43 I47 L167 G168 T169 I173 T174 I175 | T43-I171 HydrophobicContact CG2-CD1 4.29Å; I47-I171 HydrophobicContact CD1-CB 4.23Å; I47-I171 HydrophobicContact CD1-CD1 4.04Å; I47-I171 HydrophobicContact CD1-CG2 3.93Å; I47-I171 HydrophobicContact CG1-CB 4.36Å; I47-I171 HydrophobicContact CG1-CG2 4.24Å; L167-I171 HydrophobicContact CD1-CD1 4.27Å; L167-I171 HydrophobicContact CG-CD1 3.99Å; L167-I171 WeakPolarHBondContact O-CG1 3.42Å; L167-I171 PolarHBondContact O-N 3.28Å; G168-I171 PolarHBondContact O-N 3.03Å; T169-I171 PolarHBondContact O-N 2.85Å; I171-I173 PolarHBondContact O-N 2.77Å; I171-T174 WeakPolarHBondContact CA-OG1 3.34Å; I171-T174 PolarHBondContact O-N 2.88Å; I171-T174 PolarHBondContact O-OG1 3.19Å; I171-I175 HydrophobicContact CG2-CD1 3.67Å; I171-I175 HydrophobicContact CG2-CG1 4.42Å; I171-I175 VanDerWaalsContact O-CG1 3.3Å; I171-I175 WeakPolarHBondContact O-CG1 3.3Å; I171-I175 PolarHBondContact O-N 2.78Å |
| 172 | I | 94.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68 | -38.7 | -179.3 | -155.3 | 68.1 | 0 | 0 | 0 | 112 | I47 L50 I54 G168 T169 T174 I175 Y176 L201 | I47-I172 HydrophobicContact CG2-CD1 4.2Å; I47-I172 WeakPolarHBondContact O-CD1 3.39Å; L50-I172 HydrophobicContact CB-CB 4.49Å; L50-I172 HydrophobicContact CB-CG1 4.18Å; L50-I172 HydrophobicContact CB-CG2 3.92Å; L50-I172 HydrophobicContact CD1-CG2 3.72Å; L50-I172 HydrophobicContact CG-CG2 4.49Å; I54-I172 HydrophobicContact CD1-CG1 3.85Å; I54-I172 HydrophobicContact CD1-CG2 4.4Å; G168-I172 PolarHBondContact O-N 3.08Å; T169-I172 WeakPolarHBondContact O-CG2 3.38Å; T169-I172 PolarHBondContact O-N 2.93Å; I172-T174 VanDerWaalsContact C-N 3.3Å; I172-T174 PolarHBondContact O-N 3.1Å; I172-I175 PolarHBondContact O-N 2.94Å; I172-Y176 HydrophobicContact CD1-CD2 3.58Å; I172-Y176 HydrophobicContact CD1-CE2 3.48Å; I172-Y176 VanDerWaalsContact CD1-CE2 3.48Å; I172-Y176 HydrophobicContact CG1-CD2 3.82Å; I172-Y176 HydrophobicContact CG1-CE2 4.18Å; I172-Y176 WeakPolarHBondContact O-CB 3.39Å; I172-Y176 PolarHBondContact O-N 3.49Å; I172-L201 HydrophobicContact CG2-CD2 4.34Å |
| 173 | I | 94 | Very high | 93 | Very high | 43 Ų | 43 | 63.7 Ų | 63.7 | 22% | 0.221 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 176.1 | -70.9 | 168.6 | 0 | 0 | 0 | 110.8 | T169 Y170 I171 W177 I180 L201 | T169-I173 HydrophobicContact CG2-CD1 3.92Å; T169-I173 HydrophobicContact CG2-CG1 4.47Å; T169-I173 WeakPolarHBondContact O-CB 3.24Å; T169-I173 VanDerWaalsContact O-CG1 3.24Å; T169-I173 WeakPolarHBondContact O-CG1 3.2Å; T169-I173 PolarHBondContact O-N 2.9Å; Y170-I173 PolarHBondContact O-N 2.69Å; I171-I173 PolarHBondContact O-N 2.77Å; I173-W177 HydrophobicContact CG2-CE3 3.71Å; I173-W177 HydrophobicContact CG2-CZ3 3.85Å; I173-W177 VanDerWaalsContact O-CA 3.27Å; I173-W177 WeakPolarHBondContact O-CA 3.36Å; I173-W177 WeakPolarHBondContact O-CB 3.11Å; I173-W177 PolarHBondContact O-N 3.47Å; I173-I180 HydrophobicContact CG1-CD1 4.5Å; I173-L201 HydrophobicContact CD1-CD1 3.78Å; I173-L201 HydrophobicContact CG1-CD1 4.04Å; I173-L201 HydrophobicContact CG1-CD2 4.1Å |
| 174 | T | 95 | Very high | 92.6 | Very high | 76 Ų | 76 | 58 Ų | 58 | 47% | 0.466 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -69.4 | -39.7 | 178.7 | 35.7 | 0 | 0 | 0 | 0 | 112.3 | Y170 I171 I172 | Y170-T174 HydrophobicContact CE1-CG2 4.31Å; Y170-T174 PolarHBondContact O-N 3.06Å; Y170-T174 VanDerWaalsContact O-N 3.09Å; Y170-T174 PolarHBondContact O-OG1 3.23Å; I171-T174 WeakPolarHBondContact CA-OG1 3.34Å; I171-T174 PolarHBondContact O-N 2.88Å; I171-T174 PolarHBondContact O-OG1 3.19Å; I172-T174 VanDerWaalsContact C-N 3.3Å; I172-T174 PolarHBondContact O-N 3.1Å |
| 175 | I | 95.2 | Very high | 92.2 | Very high | 109 Ų | 109 | 64.6 Ų | 64.6 | 56% | 0.559 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.2 | -43.3 | 176.9 | -66.8 | 168.3 | 0 | 0 | 0 | 111.5 | I171 I172 | I171-I175 HydrophobicContact CG2-CD1 3.67Å; I171-I175 HydrophobicContact CG2-CG1 4.42Å; I171-I175 VanDerWaalsContact O-CG1 3.3Å; I171-I175 WeakPolarHBondContact O-CG1 3.3Å; I171-I175 PolarHBondContact O-N 2.78Å; I172-I175 PolarHBondContact O-N 2.94Å |
| 176 | Y | 92.8 | Very high | 91.6 | Very high | 39 Ų | 39 | 68.4 Ų | 68.4 | 15% | 0.153 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | 17.3 | -175.2 | -74.9 | -95.1 | 0 | 0 | 0 | 113.5 | I54 Q55 I172 E178 N179 I180 | I54-Y176 HydrophobicContact CB-CD1 4.28Å; I54-Y176 HydrophobicContact CD1-CD2 4.32Å; I54-Y176 HydrophobicContact CD1-CG 4.08Å; I54-Y176 HydrophobicContact CG2-CD1 3.46Å; I54-Y176 VanDerWaalsContact CG2-CD1 3.46Å; I54-Y176 HydrophobicContact CG2-CE1 4.13Å; I54-Y176 HydrophobicContact CG2-CG 3.91Å; Q55-Y176 HydrophobicContact CG-CE1 4.09Å; Q55-Y176 PolarHBondContact NE2-OH 3.32Å; I172-Y176 HydrophobicContact CD1-CD2 3.58Å; I172-Y176 HydrophobicContact CD1-CE2 3.48Å; I172-Y176 VanDerWaalsContact CD1-CE2 3.48Å; I172-Y176 HydrophobicContact CG1-CD2 3.82Å; I172-Y176 HydrophobicContact CG1-CE2 4.18Å; I172-Y176 WeakPolarHBondContact O-CB 3.39Å; I172-Y176 PolarHBondContact O-N 3.49Å; Y176-E178 VanDerWaalsContact C-N 3.31Å; Y176-E178 PolarHBondContact O-N 3.18Å; Y176-N179 HydrophobicContact CD1-CB 4.08Å; Y176-N179 VanDerWaalsContact CD1-ND2 3.3Å; Y176-N179 WeakPolarHBondContact CD1-ND2 3.41Å; Y176-N179 PolarHBondContact O-N 2.89Å; Y176-I180 WeakPolarHBondContact O-CG1 3.25Å; Y176-I180 PolarHBondContact O-N 3.46Å |
| 177 | W | 91.9 | Very high | 90.9 | Very high | 131 Ų | 131 | 67.3 Ų | 67.3 | 50% | 0.496 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -53.9 | -46.9 | -172.7 | -174.4 | -110.1 | 0 | 0 | 0 | 112.6 | I173 I180 Q181 | I173-W177 HydrophobicContact CG2-CE3 3.71Å; I173-W177 HydrophobicContact CG2-CZ3 3.85Å; I173-W177 VanDerWaalsContact O-CA 3.27Å; I173-W177 WeakPolarHBondContact O-CA 3.36Å; I173-W177 WeakPolarHBondContact O-CB 3.11Å; I173-W177 PolarHBondContact O-N 3.47Å; W177-I180 PolarHBondContact O-N 3.06Å; W177-Q181 VanDerWaalsContact CZ2-NE2 3.3Å; W177-Q181 VanDerWaalsContact O-CG 3.25Å; W177-Q181 WeakPolarHBondContact O-CG 3.46Å; W177-Q181 PolarHBondContact O-N 3.45Å; W177-Q181 VanDerWaalsContact O-N 3.12Å |
| 178 | E | 91.2 | Very high | 90.2 | Very high | 155 Ų | 155 | 64.5 Ų | 64.5 | 72% | 0.724 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.8 | -40.5 | 178.7 | -63.2 | -177.4 | 173.5 | 0 | 0 | 112.4 | Y176 Q181 M182 | Y176-E178 VanDerWaalsContact C-N 3.31Å; Y176-E178 PolarHBondContact O-N 3.18Å; E178-Q181 PolarHBondContact O-N 3.49Å; E178-M182 WeakPolarHBondContact O-CG 3.44Å; E178-M182 PolarHBondContact O-N 3.46Å |
| 179 | N | 87.7 | Confident | 89.5 | Confident | 53 Ų | 53 | 72 Ų | 72 | 28% | 0.283 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.2 | -41.9 | 178.6 | -67.3 | -24.5 | 0 | 0 | 0 | 111.6 | Y176 Q181 M182 Y183 | Y176-N179 HydrophobicContact CD1-CB 4.08Å; Y176-N179 VanDerWaalsContact CD1-ND2 3.3Å; Y176-N179 WeakPolarHBondContact CD1-ND2 3.41Å; Y176-N179 PolarHBondContact O-N 2.89Å; N179-Q181 VanDerWaalsContact C-N 3.31Å; N179-Q181 PolarHBondContact O-N 2.97Å; N179-M182 PolarHBondContact O-N 3.11Å; N179-M182 WeakPolarHBondContact OD1-CE 3.39Å; N179-Y183 PolarHBondContact O-N 3Å |
| 180 | I | 89.1 | Confident | 88.7 | Confident | 11 Ų | 11 | 71.9 Ų | 71.9 | 6% | 0.056 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 175.7 | -66.8 | 167 | 0 | 0 | 0 | 110.6 | I54 I173 Y176 W177 Y183 A184 L192 T197 L200 | I54-I180 HydrophobicContact CD1-CD1 4.43Å; I173-I180 HydrophobicContact CG1-CD1 4.5Å; Y176-I180 WeakPolarHBondContact O-CG1 3.25Å; Y176-I180 PolarHBondContact O-N 3.46Å; W177-I180 PolarHBondContact O-N 3.06Å; I180-Y183 PolarHBondContact O-N 3.47Å; I180-A184 WeakPolarHBondContact O-CB 3.49Å; I180-A184 PolarHBondContact O-N 3.25Å; I180-L192 HydrophobicContact CG2-CD2 4.33Å; I180-T197 HydrophobicContact CG2-CG2 3.61Å; I180-L200 HydrophobicContact CG1-CD1 4.44Å |
| 181 | Q | 88.7 | Confident | 88.2 | Confident | 50 Ų | 50 | 71.1 Ų | 71.1 | 23% | 0.234 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 176.6 | -67.4 | -68.1 | -11.6 | 0 | 0 | 112.4 | W177 E178 N179 A184 K185 | W177-Q181 VanDerWaalsContact CZ2-NE2 3.3Å; W177-Q181 VanDerWaalsContact O-CG 3.25Å; W177-Q181 WeakPolarHBondContact O-CG 3.46Å; W177-Q181 PolarHBondContact O-N 3.45Å; W177-Q181 VanDerWaalsContact O-N 3.12Å; E178-Q181 PolarHBondContact O-N 3.49Å; N179-Q181 VanDerWaalsContact C-N 3.31Å; N179-Q181 PolarHBondContact O-N 2.97Å; Q181-A184 PolarHBondContact O-N 3.22Å; Q181-K185 WeakPolarHBondContact O-CG 3.3Å; Q181-K185 PolarHBondContact O-N 3.33Å |
| 182 | M | 85.5 | Confident | 87.7 | Confident | 83 Ų | 83 | 73.1 Ų | 73.1 | 41% | 0.409 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 173 | -71.4 | -169.7 | -70.2 | 0 | 0 | 111.4 | M58 E178 N179 K185 L186 | M58-M182 HydrophobicContact CE-CB 4.21Å; M58-M182 HydrophobicContact CE-CE 3.86Å; M58-M182 HydrophobicContact CE-SD 4.37Å; E178-M182 WeakPolarHBondContact O-CG 3.44Å; E178-M182 PolarHBondContact O-N 3.46Å; N179-M182 PolarHBondContact O-N 3.11Å; N179-M182 WeakPolarHBondContact OD1-CE 3.39Å; M182-K185 PolarHBondContact O-N 3.39Å; M182-L186 WeakPolarHBondContact O-CG 3.47Å; M182-L186 PolarHBondContact O-N 3.28Å |
| 183 | Y | 85.2 | Confident | 87.3 | Confident | 27 Ų | 27 | 77.2 Ų | 77.2 | 11% | 0.106 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 175 | -176.4 | -93.5 | 0 | 0 | 0 | 112.3 | N57 I61 N179 I180 K185 L186 V187 L200 | N57-Y183 HydrophobicContact CB-CE2 4.05Å; I61-Y183 HydrophobicContact CD1-CD2 3.74Å; I61-Y183 HydrophobicContact CD1-CG 4.43Å; N179-Y183 PolarHBondContact O-N 3Å; I180-Y183 PolarHBondContact O-N 3.47Å; Y183-K185 VanDerWaalsContact C-N 3.29Å; Y183-K185 PolarHBondContact O-N 3.49Å; Y183-L186 PolarHBondContact O-N 3.2Å; Y183-L186 VanDerWaalsContact O-N 3.12Å; Y183-V187 HydrophobicContact CD1-CG2 4.39Å; Y183-V187 HydrophobicContact CD2-CG2 4.37Å; Y183-V187 HydrophobicContact CE1-CB 4.46Å; Y183-V187 HydrophobicContact CE1-CG2 4.02Å; Y183-V187 HydrophobicContact CE2-CG2 3.97Å; Y183-V187 PolarHBondContact O-N 3.47Å; Y183-L200 HydrophobicContact CD1-CD1 3.63Å; Y183-L200 HydrophobicContact CD1-CG 4.25Å; Y183-L200 HydrophobicContact CE1-CD1 3.93Å; Y183-L200 HydrophobicContact CE1-CD2 4.17Å; Y183-L200 HydrophobicContact CE1-CG 4.03Å; Y183-L200 HydrophobicContact CE2-CD2 4.36Å; Y183-L200 HydrophobicContact CG-CD1 4.01Å |
| 184 | A | 87.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.1 | -35 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | I180 Q181 L186 S188 N189 G190 L192 | I180-A184 WeakPolarHBondContact O-CB 3.49Å; I180-A184 PolarHBondContact O-N 3.25Å; Q181-A184 PolarHBondContact O-N 3.22Å; A184-L186 VanDerWaalsContact C-N 3.32Å; A184-L186 PolarHBondContact O-N 2.85Å; A184-S188 CarbonylContact O-C 3.36Å; A184-S188 VanDerWaalsContact O-C 3.3Å; A184-S188 WeakPolarHBondContact O-CA 3.44Å; A184-S188 PolarHBondContact O-N 2.93Å; A184-N189 PolarHBondContact O-N 2.8Å; A184-G190 PolarHBondContact O-N 3.37Å; A184-L192 HydrophobicContact CB-CD2 3.8Å |
| 185 | K | 86.4 | Confident | 86.2 | Confident | 139 Ų | 139 | 83.5 Ų | 83.5 | 60% | 0.604 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -62.1 | -38.1 | 174.2 | -78 | 175.6 | -177.7 | 178 | 0 | 112.8 | Q181 M182 Y183 N189 | Q181-K185 WeakPolarHBondContact O-CG 3.3Å; Q181-K185 PolarHBondContact O-N 3.33Å; M182-K185 PolarHBondContact O-N 3.39Å; Y183-K185 VanDerWaalsContact C-N 3.29Å; Y183-K185 PolarHBondContact O-N 3.49Å; K185-N189 WeakPolarHBondContact O-CA 3.48Å; K185-N189 PolarHBondContact O-N 2.9Å |
| 186 | L | 81.9 | Confident | 85.5 | Confident | 109 Ų | 109 | 79.6 Ų | 79.6 | 57% | 0.571 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -80.9 | -40.7 | -176.7 | -68.6 | 167.9 | 0 | 0 | 0 | 112.9 | I61 M182 Y183 A184 | I61-L186 HydrophobicContact CB-CD1 3.93Å; I61-L186 HydrophobicContact CD1-CD1 3.49Å; I61-L186 VanDerWaalsContact CD1-CD1 3.49Å; I61-L186 HydrophobicContact CG1-CD1 3.49Å; I61-L186 VanDerWaalsContact CG1-CD1 3.49Å; I61-L186 HydrophobicContact CG2-CD1 3.24Å; M182-L186 WeakPolarHBondContact O-CG 3.47Å; M182-L186 PolarHBondContact O-N 3.28Å; Y183-L186 PolarHBondContact O-N 3.2Å; Y183-L186 VanDerWaalsContact O-N 3.12Å; A184-L186 VanDerWaalsContact C-N 3.32Å; A184-L186 PolarHBondContact O-N 2.85Å |
| 187 | V | 82.5 | Confident | 85.2 | Confident | 70 Ų | 70 | 78.2 Ų | 78.2 | 42% | 0.424 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -91.8 | -32.7 | -173.3 | -175.5 | 0 | 0 | 0 | 0 | 112.5 | Y183 T196 | Y183-V187 HydrophobicContact CD1-CG2 4.39Å; Y183-V187 HydrophobicContact CD2-CG2 4.37Å; Y183-V187 HydrophobicContact CE1-CB 4.46Å; Y183-V187 HydrophobicContact CE1-CG2 4.02Å; Y183-V187 HydrophobicContact CE2-CG2 3.97Å; Y183-V187 PolarHBondContact O-N 3.47Å; V187-T196 HydrophobicContact CG1-CG2 3.73Å |
| 188 | S | 80.6 | Confident | 84.9 | Confident | 10 Ų | 10 | 72.4 Ų | 72.4 | 7% | 0.07 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -134.7 | 28.3 | -172.3 | -170.5 | 0 | 0 | 0 | 0 | 112.9 | A184 G190 K191 E193 | A184-S188 CarbonylContact O-C 3.36Å; A184-S188 VanDerWaalsContact O-C 3.3Å; A184-S188 WeakPolarHBondContact O-CA 3.44Å; A184-S188 PolarHBondContact O-N 2.93Å; S188-G190 PolarHBondContact O-N 3.1Å; S188-K191 VanDerWaalsContact CB-O 3.32Å; S188-K191 WeakPolarHBondContact CB-O 3.39Å; S188-K191 WeakPolarHBondContact O-CB 3.36Å; S188-K191 PolarHBondContact O-N 3.36Å; S188-K191 PolarHBondContact OG-O 3.1Å; S188-E193 WeakPolarHBondContact OG-CG 3.39Å; S188-E193 PolarHBondContact OG-OE2 3.04Å |
| 189 | N | 81.2 | Confident | 84.7 | Confident | 157 Ų | 157 | 66.9 Ų | 66.9 | 84% | 0.84 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 30.6 | 178 | -65.8 | -40.2 | 0 | 0 | 0 | 113.9 | A184 K185 | A184-N189 PolarHBondContact O-N 2.8Å; K185-N189 WeakPolarHBondContact O-CA 3.48Å; K185-N189 PolarHBondContact O-N 2.9Å |
| 190 | G | 79.4 | Confident | 84.6 | Confident | 34 Ų | 34 | 64.5 Ų | 64.5 | 35% | 0.351 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | 3.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A184 S188 | A184-G190 PolarHBondContact O-N 3.37Å; S188-G190 PolarHBondContact O-N 3.1Å |
| 191 | K | 85.2 | Confident | 84.7 | Confident | 140 Ų | 140 | 66.3 Ų | 66.3 | 61% | 0.609 | 35% | 0.347 | S | S | * | . | trans | -84.6 | 134.7 | 170.6 | -66.7 | -177.2 | 179.7 | 178.1 | 0 | 110.3 | S188 E193 | S188-K191 VanDerWaalsContact CB-O 3.32Å; S188-K191 WeakPolarHBondContact CB-O 3.39Å; S188-K191 WeakPolarHBondContact O-CB 3.36Å; S188-K191 PolarHBondContact O-N 3.36Å; S188-K191 PolarHBondContact OG-O 3.1Å; K191-E193 VanDerWaalsContact C-N 3.32Å; K191-E193 HydrophobicContact CB-CG 4.12Å; K191-E193 PolarHBondContact O-N 3.04Å; K191-E193 VanDerWaalsContact O-N 3.09Å | ||
| 192 | L | 85.5 | Confident | 84.7 | Confident | 95 Ų | 95 | 67 Ų | 67 | 50% | 0.497 | 35% | 0.354 | S | S | . | . | trans | -83.8 | 79.7 | 174.3 | -64.7 | 172.2 | 0 | 0 | 0 | 109.1 | I180 A184 T197 | I180-L192 HydrophobicContact CG2-CD2 4.33Å; A184-L192 HydrophobicContact CB-CD2 3.8Å; L192-T197 HydrophobicContact CD2-CG2 3.99Å | ||
| 193 | E | 86.2 | Confident | 84.8 | Confident | 90 Ų | 90 | 70.1 Ų | 70.1 | 42% | 0.421 | 37% | 0.373 | S | S | . | . | trans | -87.4 | 138.9 | 179.2 | -70.1 | -179.6 | 157.9 | 0 | 0 | 111.6 | S188 K191 N195 T196 T197 G198 | S188-E193 WeakPolarHBondContact OG-CG 3.39Å; S188-E193 PolarHBondContact OG-OE2 3.04Å; K191-E193 VanDerWaalsContact C-N 3.32Å; K191-E193 HydrophobicContact CB-CG 4.12Å; K191-E193 PolarHBondContact O-N 3.04Å; K191-E193 VanDerWaalsContact O-N 3.09Å; E193-N195 VanDerWaalsContact C-N 3.26Å; E193-N195 PolarHBondContact O-N 3.21Å; E193-T196 PolarHBondContact O-N 3.3Å; E193-T197 PolarHBondContact O-N 3.19Å; E193-G198 PolarHBondContact O-N 2.78Å | ||
| 194 | M | 84.5 | Confident | 84.9 | Confident | 122 Ų | 122 | 71.6 Ų | 71.6 | 60% | 0.601 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -33.9 | 178.2 | -174.6 | 61.4 | 174.8 | 0 | 0 | 111.8 | T196 G198 V202 L204 | M194-T196 VanDerWaalsContact C-N 3.28Å; M194-T196 PolarHBondContact O-N 2.91Å; M194-G198 WeakPolarHBondContact O-CA 3.45Å; M194-G198 PolarHBondContact O-N 3.04Å; M194-V202 HydrophobicContact CE-CG2 3.49Å; M194-V202 VanDerWaalsContact CE-CG2 3.49Å; M194-L204 HydrophobicContact CE-CD2 4.17Å; M194-L204 HydrophobicContact CG-CD2 4.49Å; M194-L204 WeakPolarHBondContact O-CD1 3.23Å |
| 195 | N | 81.2 | Confident | 84.7 | Confident | 129 Ų | 129 | 75 Ų | 75 | 69% | 0.69 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -25 | -177.6 | -164 | 22.7 | 0 | 0 | 0 | 113.2 | E193 L204 | E193-N195 VanDerWaalsContact C-N 3.26Å; E193-N195 PolarHBondContact O-N 3.21Å; N195-L204 WeakPolarHBondContact O-CD1 3.43Å |
| 196 | T | 81.8 | Confident | 84.4 | Confident | 27 Ų | 27 | 70.5 Ų | 70.5 | 17% | 0.166 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -69.1 | -174.3 | 53.7 | 0 | 0 | 0 | 0 | 110.4 | V187 E193 M194 G198 S199 | V187-T196 HydrophobicContact CG1-CG2 3.73Å; E193-T196 PolarHBondContact O-N 3.3Å; M194-T196 VanDerWaalsContact C-N 3.28Å; M194-T196 PolarHBondContact O-N 2.91Å; T196-G198 VanDerWaalsContact C-N 3.28Å; T196-G198 PolarHBondContact O-N 3.18Å; T196-S199 WeakPolarHBondContact O-CB 3.32Å; T196-S199 PolarHBondContact O-N 3.34Å; T196-S199 PolarHBondContact O-OG 2.98Å |
| 197 | T | 86.1 | Confident | 84.5 | Confident | 11 Ų | 11 | 72.3 Ų | 72.3 | 7% | 0.067 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -66.4 | -31 | 179.1 | -51.1 | 0 | 0 | 0 | 0 | 112 | I180 L192 E193 S199 L200 | I180-T197 HydrophobicContact CG2-CG2 3.61Å; L192-T197 HydrophobicContact CD2-CG2 3.99Å; E193-T197 PolarHBondContact O-N 3.19Å; T197-S199 PolarHBondContact O-N 2.66Å; T197-L200 HydrophobicContact CG2-CD1 4.39Å; T197-L200 WeakPolarHBondContact O-CB 3.38Å; T197-L200 WeakPolarHBondContact O-CG 3.39Å; T197-L200 PolarHBondContact O-N 2.81Å |
| 198 | G | 85.9 | Confident | 84.7 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 8% | 0.082 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -63.3 | -25 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E193 M194 T196 L200 L201 V202 | E193-G198 PolarHBondContact O-N 2.78Å; M194-G198 WeakPolarHBondContact O-CA 3.45Å; M194-G198 PolarHBondContact O-N 3.04Å; T196-G198 VanDerWaalsContact C-N 3.28Å; T196-G198 PolarHBondContact O-N 3.18Å; G198-L200 PolarHBondContact O-N 3.22Å; G198-L200 VanDerWaalsContact O-N 3.14Å; G198-L201 PolarHBondContact O-N 3.37Å; G198-V202 WeakPolarHBondContact O-CG2 3.27Å; G198-V202 PolarHBondContact O-N 3.39Å |
| 199 | S | 85.3 | Confident | 85.2 | Confident | 39 Ų | 39 | 76.1 Ų | 76.1 | 27% | 0.273 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -62.7 | -19.7 | 177 | 70.3 | 0 | 0 | 0 | 0 | 113.5 | T196 T197 L201 | T196-S199 WeakPolarHBondContact O-CB 3.32Å; T196-S199 PolarHBondContact O-N 3.34Å; T196-S199 PolarHBondContact O-OG 2.98Å; T197-S199 PolarHBondContact O-N 2.66Å; S199-L201 VanDerWaalsContact C-N 3.27Å; S199-L201 PolarHBondContact O-N 3.1Å |
| 200 | L | 87.3 | Confident | 85.6 | Confident | 3 Ų | 3 | 76.2 Ų | 76.2 | 2% | 0.016 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -75 | -15.4 | 176.3 | -59.7 | 179.9 | 0 | 0 | 0 | 113.5 | I54 N57 I180 Y183 T197 G198 | I54-L200 HydrophobicContact CG1-CB 4.31Å; N57-L200 HydrophobicContact CB-CD2 3.45Å; N57-L200 VanDerWaalsContact CB-CD2 3.45Å; I180-L200 HydrophobicContact CG1-CD1 4.44Å; Y183-L200 HydrophobicContact CD1-CD1 3.63Å; Y183-L200 HydrophobicContact CD1-CG 4.25Å; Y183-L200 HydrophobicContact CE1-CD1 3.93Å; Y183-L200 HydrophobicContact CE1-CD2 4.17Å; Y183-L200 HydrophobicContact CE1-CG 4.03Å; Y183-L200 HydrophobicContact CE2-CD2 4.36Å; Y183-L200 HydrophobicContact CG-CD1 4.01Å; T197-L200 HydrophobicContact CG2-CD1 4.39Å; T197-L200 WeakPolarHBondContact O-CB 3.38Å; T197-L200 WeakPolarHBondContact O-CG 3.39Å; T197-L200 PolarHBondContact O-N 2.81Å; G198-L200 PolarHBondContact O-N 3.22Å; G198-L200 VanDerWaalsContact O-N 3.14Å |
| 201 | L | 90 | Very high | 86.2 | Confident | 49 Ų | 49 | 77.9 Ų | 77.9 | 26% | 0.257 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | -33.2 | -171.7 | -60.6 | 178.2 | 0 | 0 | 0 | 112.5 | L50 T169 I172 I173 G198 S199 | L50-L201 HydrophobicContact CD1-CD2 4.28Å; T169-L201 HydrophobicContact CG2-CD2 4.38Å; I172-L201 HydrophobicContact CG2-CD2 4.34Å; I173-L201 HydrophobicContact CD1-CD1 3.78Å; I173-L201 HydrophobicContact CG1-CD1 4.04Å; I173-L201 HydrophobicContact CG1-CD2 4.1Å; G198-L201 PolarHBondContact O-N 3.37Å; S199-L201 VanDerWaalsContact C-N 3.27Å; S199-L201 PolarHBondContact O-N 3.1Å |
| 202 | V | 89.8 | Confident | 86.4 | Confident | 64 Ų | 64 | 74.2 Ų | 74.2 | 39% | 0.388 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -135.1 | 151.2 | -178.6 | -60.7 | 0 | 0 | 0 | 0 | 110.7 | M194 G198 L204 | M194-V202 HydrophobicContact CE-CG2 3.49Å; M194-V202 VanDerWaalsContact CE-CG2 3.49Å; G198-V202 WeakPolarHBondContact O-CG2 3.27Å; G198-V202 PolarHBondContact O-N 3.39Å; V202-L204 HydrophobicContact CG2-CD2 3.98Å; V202-L204 HydrophobicContact CG2-CG 4.3Å; V202-L204 PolarHBondContact O-N 3.4Å |
| 203 | N | 87.7 | Confident | 86.7 | Confident | 150 Ų | 150 | 71.4 Ų | 71.4 | 80% | 0.802 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 118.9 | 171.9 | -63.1 | -28.2 | 0 | 0 | 0 | 108.9 | ||
| 204 | L | 87.3 | Confident | 87 | Confident | 57 Ų | 57 | 71.6 Ų | 71.6 | 30% | 0.298 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -101 | 139.6 | 176.3 | -64.1 | 168.9 | 0 | 0 | 0 | 109.6 | M194 N195 V202 G206 | M194-L204 HydrophobicContact CE-CD2 4.17Å; M194-L204 HydrophobicContact CG-CD2 4.49Å; M194-L204 WeakPolarHBondContact O-CD1 3.23Å; N195-L204 WeakPolarHBondContact O-CD1 3.43Å; V202-L204 HydrophobicContact CG2-CD2 3.98Å; V202-L204 HydrophobicContact CG2-CG 4.3Å; V202-L204 PolarHBondContact O-N 3.4Å; L204-G206 PolarHBondContact O-N 3.31Å |
| 205 | P | 83.8 | Confident | 87.4 | Confident | 71 Ų | 71 | 74.1 Ų | 74.1 | 46% | 0.461 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 126.9 | 170 | 28.9 | -32.2 | 0 | 0 | 0 | 108.3 | ||
| 206 | G | 80.1 | Confident | 87.9 | Confident | 46 Ų | 46 | 73 Ų | 73 | 47% | 0.474 | 42% | 0.419 | S | S | . | . | trans | -67.7 | -158.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L204 I208 | L204-G206 PolarHBondContact O-N 3.31Å; G206-I208 PolarHBondContact O-N 2.75Å | ||
| 207 | P | 83.8 | Confident | 88.4 | Confident | 146 Ų | 146 | 75.3 Ų | 75.3 | 95% | 0.948 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -71.3 | 30 | 177.3 | 32.3 | -36.5 | 0 | 0 | 0 | 113.7 | ||
| 208 | I | 87 | Confident | 88.7 | Confident | 102 Ų | 102 | 78.6 Ų | 78.6 | 52% | 0.523 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -104.8 | 150.6 | -170.9 | -60.3 | 171.6 | 0 | 0 | 0 | 109.8 | G206 | G206-I208 PolarHBondContact O-N 2.75Š|
| 209 | S | 91.1 | Very high | 89.2 | Confident | 58 Ų | 58 | 83.4 Ų | 83.4 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | trans | -59.8 | 140.6 | 175.9 | 83.7 | 0 | 0 | 0 | 0 | 112.1 | S211 S212 C213 | S209-S211 PolarHBondContact O-N 3.35Å; S209-S211 PolarHBondContact OG-OG 3.33Å; S209-S212 PolarHBondContact O-N 2.77Å; S209-S212 VanDerWaalsContact O-N 3.08Å; S209-S212 PolarHBondContact OG-N 3.18Å; S209-S212 PolarHBondContact OG-OG 3.38Å; S209-C213 PolarHBondContact O-N 2.88Å | ||
| 210 | H | 89.4 | Confident | 89.5 | Confident | 159 Ų | 159 | 84.9 Ų | 84.9 | 74% | 0.736 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57.7 | -31.7 | 176.6 | -63.3 | 161.5 | 0 | 0 | 0 | 112.7 | C213 L214 | H210-C213 PolarHBondContact O-N 3.31Å; H210-L214 WeakPolarHBondContact O-CB 3.28Å; H210-L214 PolarHBondContact O-N 3.3Å |
| 211 | S | 90.3 | Very high | 89.7 | Confident | 70 Ų | 70 | 87.3 Ų | 87.3 | 49% | 0.49 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 176.2 | 37.6 | 0 | 0 | 0 | 0 | 112.7 | S209 L214 W215 | S209-S211 PolarHBondContact O-N 3.35Å; S209-S211 PolarHBondContact OG-OG 3.33Å; S211-L214 PolarHBondContact O-N 3.11Å; S211-W215 PolarHBondContact O-N 3.25Å; S211-W215 VanDerWaalsContact O-N 3.1Å |
| 212 | S | 91.4 | Very high | 89.9 | Confident | 62 Ų | 62 | 89 Ų | 89 | 43% | 0.434 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66 | -42.8 | 177.3 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | S209 L214 W215 D216 | S209-S212 PolarHBondContact O-N 2.77Å; S209-S212 VanDerWaalsContact O-N 3.08Å; S209-S212 PolarHBondContact OG-N 3.18Å; S209-S212 PolarHBondContact OG-OG 3.38Å; S212-L214 VanDerWaalsContact C-N 3.29Å; S212-L214 PolarHBondContact O-N 3.41Å; S212-W215 PolarHBondContact O-N 2.95Å; S212-D216 WeakPolarHBondContact O-CB 3.28Å; S212-D216 PolarHBondContact O-N 3.24Å |
| 213 | C | 91.3 | Very high | 90.1 | Very high | 37 Ų | 37 | 89.7 Ų | 89.7 | 25% | 0.25 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -62.6 | -35.4 | 175.9 | -62.8 | 0 | 0 | 0 | 0 | 112.8 | S209 H210 S217 | S209-C213 PolarHBondContact O-N 2.88Å; H210-C213 PolarHBondContact O-N 3.31Å; C213-S217 WeakPolarHBondContact O-CB 3.22Å; C213-S217 PolarHBondContact O-N 2.97Å; C213-S217 PolarHBondContact O-OG 3.01Å |
| 214 | L | 92 | Very high | 90.3 | Very high | 94 Ų | 94 | 85.8 Ų | 85.8 | 49% | 0.492 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 175.4 | 178.7 | 148.2 | 0 | 0 | 0 | 111.4 | H210 S211 S212 S217 I218 | H210-L214 WeakPolarHBondContact O-CB 3.28Å; H210-L214 PolarHBondContact O-N 3.3Å; S211-L214 PolarHBondContact O-N 3.11Å; S212-L214 VanDerWaalsContact C-N 3.29Å; S212-L214 PolarHBondContact O-N 3.41Å; L214-S217 PolarHBondContact O-N 3.26Å; L214-I218 HydrophobicContact CD2-CD1 3.55Å; L214-I218 HydrophobicContact CD2-CG1 4.49Å; L214-I218 HydrophobicContact CG-CD1 4.28Å; L214-I218 WeakPolarHBondContact O-CG1 3.31Å; L214-I218 PolarHBondContact O-N 2.85Å |
| 215 | W | 92.2 | Very high | 90.5 | Very high | 175 Ų | 175 | 84.2 Ų | 84.2 | 66% | 0.663 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.1 | -39.3 | 179.1 | -77 | 118.4 | 0 | 0 | 0 | 112.7 | S211 S212 I218 L219 | S211-W215 PolarHBondContact O-N 3.25Å; S211-W215 VanDerWaalsContact O-N 3.1Å; S212-W215 PolarHBondContact O-N 2.95Å; W215-I218 HydrophobicContact CE3-CD1 4.22Å; W215-I218 HydrophobicContact CZ3-CD1 4.32Å; W215-I218 PolarHBondContact O-N 3.14Å; W215-L219 WeakPolarHBondContact O-CB 3.46Å; W215-L219 PolarHBondContact O-N 3.47Å |
| 216 | D | 92.5 | Very high | 90.8 | Very high | 106 Ų | 106 | 88.9 Ų | 88.9 | 57% | 0.567 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -58.3 | -47.8 | 172.3 | 176.1 | 69.2 | 0 | 0 | 0 | 111.5 | S212 I218 L219 S220 | S212-D216 WeakPolarHBondContact O-CB 3.28Å; S212-D216 PolarHBondContact O-N 3.24Å; D216-I218 VanDerWaalsContact C-N 3.32Å; D216-I218 PolarHBondContact O-N 3.36Å; D216-L219 PolarHBondContact O-N 3.08Å; D216-S220 WeakPolarHBondContact O-CB 3.39Å; D216-S220 PolarHBondContact O-N 2.92Å |
| 217 | S | 92 | Very high | 91.3 | Very high | 75 Ų | 75 | 90.7 Ų | 90.7 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 178.6 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | C213 L214 N221 | C213-S217 WeakPolarHBondContact O-CB 3.22Å; C213-S217 PolarHBondContact O-N 2.97Å; C213-S217 PolarHBondContact O-OG 3.01Å; L214-S217 PolarHBondContact O-N 3.26Å; S217-N221 WeakPolarHBondContact O-CB 3.46Å; S217-N221 PolarHBondContact O-N 3.38Å; S217-N221 VanDerWaalsContact O-N 3.09Å |
| 218 | I | 93.8 | Very high | 91.5 | Very high | 80 Ų | 80 | 85.6 Ų | 85.6 | 41% | 0.41 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.5 | -52.3 | 176.5 | -69.2 | 172.2 | 0 | 0 | 0 | 110.3 | L214 W215 D216 S220 N221 T222 | L214-I218 HydrophobicContact CD2-CD1 3.55Å; L214-I218 HydrophobicContact CD2-CG1 4.49Å; L214-I218 HydrophobicContact CG-CD1 4.28Å; L214-I218 WeakPolarHBondContact O-CG1 3.31Å; L214-I218 PolarHBondContact O-N 2.85Å; W215-I218 HydrophobicContact CE3-CD1 4.22Å; W215-I218 HydrophobicContact CZ3-CD1 4.32Å; W215-I218 PolarHBondContact O-N 3.14Å; D216-I218 VanDerWaalsContact C-N 3.32Å; D216-I218 PolarHBondContact O-N 3.36Å; I218-S220 PolarHBondContact O-N 3.28Å; I218-N221 PolarHBondContact O-N 3.26Å; I218-T222 VanDerWaalsContact O-CB 3.32Å; I218-T222 WeakPolarHBondContact O-CB 3.49Å; I218-T222 PolarHBondContact O-N 2.91Å; I218-T222 PolarHBondContact O-OG1 2.63Å; I218-T222 VanDerWaalsContact O-OG1 3.07Å |
| 219 | L | 94.6 | Very high | 91.4 | Very high | 108 Ų | 108 | 82.8 Ų | 82.8 | 57% | 0.565 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.6 | -47.2 | -176.7 | -177.5 | 64.5 | 0 | 0 | 0 | 111.3 | W215 D216 T222 I223 | W215-L219 WeakPolarHBondContact O-CB 3.46Å; W215-L219 PolarHBondContact O-N 3.47Å; D216-L219 PolarHBondContact O-N 3.08Å; L219-T222 PolarHBondContact O-N 3.11Å; L219-I223 HydrophobicContact CD1-CD1 4.16Å; L219-I223 HydrophobicContact CG-CD1 4.11Å; L219-I223 WeakPolarHBondContact O-CG1 3.28Å; L219-I223 PolarHBondContact O-N 3.48Å |
| 220 | S | 92.3 | Very high | 91.1 | Very high | 71 Ų | 71 | 83.2 Ų | 83.2 | 50% | 0.497 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.4 | -48.1 | 179 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | D216 I218 T222 I223 Y224 | D216-S220 WeakPolarHBondContact O-CB 3.39Å; D216-S220 PolarHBondContact O-N 2.92Å; I218-S220 PolarHBondContact O-N 3.28Å; S220-T222 VanDerWaalsContact C-N 3.34Å; S220-T222 PolarHBondContact O-N 3.38Å; S220-I223 PolarHBondContact O-N 3.15Å; S220-Y224 WeakPolarHBondContact O-CB 3.45Å; S220-Y224 PolarHBondContact O-N 3.44Å |
| 221 | N | 91.9 | Very high | 90.8 | Very high | 54 Ų | 54 | 80.6 Ų | 80.6 | 29% | 0.289 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.7 | -33.2 | 178.6 | -171.4 | 56.3 | 0 | 0 | 0 | 112.4 | S217 I218 I225 | S217-N221 WeakPolarHBondContact O-CB 3.46Å; S217-N221 PolarHBondContact O-N 3.38Å; S217-N221 VanDerWaalsContact O-N 3.09Å; I218-N221 PolarHBondContact O-N 3.26Å; N221-I225 WeakPolarHBondContact ND2-CD1 3.34Å; N221-I225 WeakPolarHBondContact O-CB 3.44Å; N221-I225 VanDerWaalsContact O-CG1 3.29Å; N221-I225 WeakPolarHBondContact O-CG1 3.37Å; N221-I225 PolarHBondContact O-N 2.84Å |
| 222 | T | 93.9 | Very high | 90.1 | Very high | 84 Ų | 84 | 80 Ų | 80 | 52% | 0.515 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -63.5 | -51.2 | 174 | -72.7 | 0 | 0 | 0 | 0 | 111.2 | I218 L219 S220 Y224 I225 W226 | I218-T222 VanDerWaalsContact O-CB 3.32Å; I218-T222 WeakPolarHBondContact O-CB 3.49Å; I218-T222 PolarHBondContact O-N 2.91Å; I218-T222 PolarHBondContact O-OG1 2.63Å; I218-T222 VanDerWaalsContact O-OG1 3.07Å; L219-T222 PolarHBondContact O-N 3.11Å; S220-T222 VanDerWaalsContact C-N 3.34Å; S220-T222 PolarHBondContact O-N 3.38Å; T222-Y224 VanDerWaalsContact C-N 3.34Å; T222-Y224 PolarHBondContact O-N 2.91Å; T222-I225 PolarHBondContact O-N 3.45Å; T222-W226 WeakPolarHBondContact O-CB 3.46Å; T222-W226 PolarHBondContact O-N 2.94Å |
| 223 | I | 94.8 | Very high | 89.4 | Confident | 78 Ų | 78 | 79.1 Ų | 79.1 | 40% | 0.4 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 178.8 | -67 | 168.2 | 0 | 0 | 0 | 110.3 | L219 S220 W226 I227 | L219-I223 HydrophobicContact CD1-CD1 4.16Å; L219-I223 HydrophobicContact CG-CD1 4.11Å; L219-I223 WeakPolarHBondContact O-CG1 3.28Å; L219-I223 PolarHBondContact O-N 3.48Å; S220-I223 PolarHBondContact O-N 3.15Å; I223-W226 PolarHBondContact O-N 2.99Å; I223-I227 HydrophobicContact CG2-CD1 3.75Å; I223-I227 HydrophobicContact CG2-CG1 4.42Å; I223-I227 WeakPolarHBondContact O-CG1 3.2Å; I223-I227 PolarHBondContact O-N 3.05Å |
| 224 | Y | 91.7 | Very high | 88.3 | Confident | 68 Ų | 68 | 82.9 Ų | 82.9 | 27% | 0.267 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57 | -50.9 | 177.9 | 167.4 | -113.6 | 0 | 0 | 0 | 112.6 | K86 I139 S220 T222 I228 | K86-Y224 WeakPolarHBondContact CE-OH 3.41Å; K86-Y224 VanDerWaalsContact NZ-CE2 3.27Å; K86-Y224 VanDerWaalsContact NZ-CZ 3.28Å; K86-Y224 PolarHBondContact NZ-OH 3.47Å; I139-Y224 HydrophobicContact CD1-CE1 3.72Å; I139-Y224 VanDerWaalsContact CD1-OH 3.28Å; I139-Y224 WeakPolarHBondContact CD1-OH 3.47Å; I139-Y224 HydrophobicContact CG1-CE1 3.88Å; S220-Y224 WeakPolarHBondContact O-CB 3.45Å; S220-Y224 PolarHBondContact O-N 3.44Å; T222-Y224 VanDerWaalsContact C-N 3.34Å; T222-Y224 PolarHBondContact O-N 2.91Å; Y224-I228 HydrophobicContact CD2-CG1 4.34Å; Y224-I228 HydrophobicContact CE2-CG1 4.23Å; Y224-I228 WeakPolarHBondContact O-CG1 3.3Å; Y224-I228 PolarHBondContact O-N 3.45Å; Y224-I228 VanDerWaalsContact O-N 3.13Å |
| 225 | I | 91.2 | Very high | 87 | Confident | 24 Ų | 24 | 85.6 Ų | 85.6 | 12% | 0.123 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -67.2 | -39.9 | 178.5 | -68.9 | 170.7 | 0 | 0 | 0 | 110.6 | I139 A142 N221 T222 I227 I228 L229 | I139-I225 HydrophobicContact CG1-CG1 4.43Å; A142-I225 HydrophobicContact CB-CD1 4.5Å; A142-I225 HydrophobicContact CB-CG2 3.7Å; N221-I225 WeakPolarHBondContact ND2-CD1 3.34Å; N221-I225 WeakPolarHBondContact O-CB 3.44Å; N221-I225 VanDerWaalsContact O-CG1 3.29Å; N221-I225 WeakPolarHBondContact O-CG1 3.37Å; N221-I225 PolarHBondContact O-N 2.84Å; T222-I225 PolarHBondContact O-N 3.45Å; I225-I227 PolarHBondContact O-N 3.42Å; I225-I228 PolarHBondContact O-N 3.08Å; I225-L229 HydrophobicContact CG2-CD1 3.68Å; I225-L229 HydrophobicContact CG2-CG 4.01Å; I225-L229 WeakPolarHBondContact O-CB 3.39Å; I225-L229 VanDerWaalsContact O-CG 3.23Å; I225-L229 WeakPolarHBondContact O-CG 3.42Å; I225-L229 PolarHBondContact O-N 2.98Å |
| 226 | W | 90.6 | Very high | 85.6 | Confident | 170 Ų | 170 | 82.3 Ų | 82.3 | 64% | 0.644 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -59.6 | -47.7 | 179.9 | -175.1 | 41.3 | 0 | 0 | 0 | 112.1 | T222 I223 L229 I230 | T222-W226 WeakPolarHBondContact O-CB 3.46Å; T222-W226 PolarHBondContact O-N 2.94Å; I223-W226 PolarHBondContact O-N 2.99Å; W226-L229 PolarHBondContact O-N 3.45Å; W226-I230 HydrophobicContact CD2-CD1 4.2Å; W226-I230 HydrophobicContact CG-CD1 4.3Å; W226-I230 HydrophobicContact CZ2-CD1 4.32Å; W226-I230 WeakPolarHBondContact O-CG1 3.32Å; W226-I230 PolarHBondContact O-N 3.14Å |
| 227 | I | 90.4 | Very high | 83.8 | Confident | 83 Ų | 83 | 79.4 Ų | 79.4 | 43% | 0.426 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 176.1 | -67.7 | 170.4 | 0 | 0 | 0 | 110.8 | I223 I225 L229 I230 I231 | I223-I227 HydrophobicContact CG2-CD1 3.75Å; I223-I227 HydrophobicContact CG2-CG1 4.42Å; I223-I227 WeakPolarHBondContact O-CG1 3.2Å; I223-I227 PolarHBondContact O-N 3.05Å; I225-I227 PolarHBondContact O-N 3.42Å; I227-L229 VanDerWaalsContact C-N 3.31Å; I227-L229 PolarHBondContact O-N 3.02Å; I227-I230 PolarHBondContact O-N 2.85Å; I227-I231 HydrophobicContact CG2-CD1 3.64Å; I227-I231 HydrophobicContact CG2-CG1 4.34Å; I227-I231 WeakPolarHBondContact O-CG1 3.33Å; I227-I231 PolarHBondContact O-N 2.87Å |
| 228 | I | 86.5 | Confident | 81.9 | Confident | 40 Ų | 40 | 86.3 Ų | 86.3 | 21% | 0.205 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 179.6 | -69 | -69.4 | 0 | 0 | 0 | 111.4 | I139 Y224 I225 I231 T232 | I139-I228 HydrophobicContact CD1-CG2 4.42Å; Y224-I228 HydrophobicContact CD2-CG1 4.34Å; Y224-I228 HydrophobicContact CE2-CG1 4.23Å; Y224-I228 WeakPolarHBondContact O-CG1 3.3Å; Y224-I228 PolarHBondContact O-N 3.45Å; Y224-I228 VanDerWaalsContact O-N 3.13Å; I225-I228 PolarHBondContact O-N 3.08Å; I228-I231 PolarHBondContact O-N 3.3Å; I228-T232 WeakPolarHBondContact O-CB 3.38Å; I228-T232 PolarHBondContact O-N 2.91Å; I228-T232 PolarHBondContact O-OG1 2.96Å |
| 229 | L | 84.7 | Confident | 80.4 | Confident | 42 Ų | 42 | 84.4 Ų | 84.4 | 22% | 0.22 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 177.7 | -70.5 | 176.3 | 0 | 0 | 0 | 112.1 | Y143 I146 I225 W226 I227 T232 D233 | Y143-L229 HydrophobicContact CD2-CD2 4.28Å; Y143-L229 HydrophobicContact CE2-CD2 3.91Å; I146-L229 HydrophobicContact CD1-CD1 3.66Å; I146-L229 HydrophobicContact CD1-CD2 3.35Å; I146-L229 HydrophobicContact CD1-CG 4.11Å; I225-L229 HydrophobicContact CG2-CD1 3.68Å; I225-L229 HydrophobicContact CG2-CG 4.01Å; I225-L229 WeakPolarHBondContact O-CB 3.39Å; I225-L229 VanDerWaalsContact O-CG 3.23Å; I225-L229 WeakPolarHBondContact O-CG 3.42Å; I225-L229 PolarHBondContact O-N 2.98Å; W226-L229 PolarHBondContact O-N 3.45Å; I227-L229 VanDerWaalsContact C-N 3.31Å; I227-L229 PolarHBondContact O-N 3.02Å; L229-T232 PolarHBondContact O-N 3.44Å; L229-D233 WeakPolarHBondContact O-CB 3.41Å; L229-D233 PolarHBondContact O-N 3.1Å |
| 230 | I | 85.5 | Confident | 78.9 | Confident | 67 Ų | 67 | 82.7 Ų | 82.7 | 34% | 0.344 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.1 | -49.5 | 174.5 | -70.6 | 166.9 | 0 | 0 | 0 | 110.7 | W226 I227 T232 D233 S237 | W226-I230 HydrophobicContact CD2-CD1 4.2Å; W226-I230 HydrophobicContact CG-CD1 4.3Å; W226-I230 HydrophobicContact CZ2-CD1 4.32Å; W226-I230 WeakPolarHBondContact O-CG1 3.32Å; W226-I230 PolarHBondContact O-N 3.14Å; I227-I230 PolarHBondContact O-N 2.85Å; I230-T232 VanDerWaalsContact C-N 3.26Å; I230-T232 PolarHBondContact O-N 3.31Å; I230-D233 PolarHBondContact O-N 2.96Å; I230-S237 PolarHBondContact O-OG 3.46Å |
| 231 | I | 82.4 | Confident | 77.7 | Confident | 105 Ų | 105 | 86.2 Ų | 86.2 | 54% | 0.538 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63 | -35.7 | -179.3 | -68 | 171.1 | 0 | 0 | 0 | 111.1 | I227 I228 | I227-I231 HydrophobicContact CG2-CD1 3.64Å; I227-I231 HydrophobicContact CG2-CG1 4.34Å; I227-I231 WeakPolarHBondContact O-CG1 3.33Å; I227-I231 PolarHBondContact O-N 2.87Å; I228-I231 PolarHBondContact O-N 3.3Å |
| 232 | T | 77.3 | Confident | 76.6 | Confident | 58 Ų | 58 | 85.9 Ų | 85.9 | 36% | 0.356 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -87.1 | -7.1 | -178 | -44.5 | 0 | 0 | 0 | 0 | 113.2 | Y143 I228 L229 I230 K234 | Y143-T232 WeakPolarHBondContact OH-CG2 3.42Å; I228-T232 WeakPolarHBondContact O-CB 3.38Å; I228-T232 PolarHBondContact O-N 2.91Å; I228-T232 PolarHBondContact O-OG1 2.96Å; L229-T232 PolarHBondContact O-N 3.44Å; I230-T232 VanDerWaalsContact C-N 3.26Å; I230-T232 PolarHBondContact O-N 3.31Å; T232-K234 PolarHBondContact O-N 2.9Å |
| 233 | D | 76.1 | Confident | 75.4 | Confident | 42 Ų | 42 | 87.3 Ų | 87.3 | 23% | 0.225 | 43% | 0.433 | C | S | . | . | trans | -78.4 | 110.1 | 174.6 | -165.5 | -1.8 | 0 | 0 | 0 | 110.6 | L229 I230 N235 I236 S237 | L229-D233 WeakPolarHBondContact O-CB 3.41Å; L229-D233 PolarHBondContact O-N 3.1Å; I230-D233 PolarHBondContact O-N 2.96Å; D233-N235 PolarHBondContact O-N 3.49Å; D233-N235 WeakPolarHBondContact OD1-CB 3.41Å; D233-N235 PolarHBondContact OD1-N 3.29Å; D233-N235 PolarHBondContact OD1-ND2 3.43Å; D233-I236 HydrophobicContact CB-CB 4.44Å; D233-I236 HydrophobicContact CB-CD1 4.46Å; D233-I236 PolarHBondContact O-N 2.81Å; D233-I236 WeakPolarHBondContact OD2-CD1 3.4Å; D233-S237 WeakPolarHBondContact O-CB 3.39Å; D233-S237 PolarHBondContact O-N 3.34Å; D233-S237 PolarHBondContact O-OG 3.06Å | ||
| 234 | K | 67.2 | Low | 74.4 | Confident | 117 Ų | 117 | 89.2 Ų | 89.2 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -21.9 | 177.7 | -56.2 | -177.8 | -164.6 | -170.9 | 0 | 111.8 | S101 D130 T232 | S101-K234 VanDerWaalsContact OG-CD 3.26Å; S101-K234 WeakPolarHBondContact OG-CD 3.27Å; S101-K234 WeakPolarHBondContact OG-CE 3.38Å; S101-K234 PolarHBondContact OG-NZ 3.49Å; D130-K234 IonicContact OD2-NZ 2.93Å; D130-K234 PolarHBondContact OD2-NZ 3.31Å; T232-K234 PolarHBondContact O-N 2.9Å |
| 235 | N | 65.2 | Low | 73.3 | Confident | 150 Ų | 150 | 87.8 Ų | 87.8 | 80% | 0.802 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -27.5 | -175.4 | -62.4 | -39.2 | 0 | 0 | 0 | 113.9 | D233 | D233-N235 PolarHBondContact O-N 3.49Å; D233-N235 WeakPolarHBondContact OD1-CB 3.41Å; D233-N235 PolarHBondContact OD1-N 3.29Å; D233-N235 PolarHBondContact OD1-ND2 3.43Å |
| 236 | I | 62.5 | Low | 72.6 | Confident | 107 Ų | 107 | 96.6 Ų | 96.6 | 55% | 0.549 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -32.7 | -177 | -63.9 | 173 | 0 | 0 | 0 | 110.5 | D233 W238 | D233-I236 HydrophobicContact CB-CB 4.44Å; D233-I236 HydrophobicContact CB-CD1 4.46Å; D233-I236 PolarHBondContact O-N 2.81Å; D233-I236 WeakPolarHBondContact OD2-CD1 3.4Å; I236-W238 PolarHBondContact O-N 2.62Å |
| 237 | S | 55.4 | Low | 71.9 | Confident | 45 Ų | 45 | 95.8 Ų | 95.8 | 32% | 0.315 | 48% | 0.482 | S | S | . | . | trans | -78.1 | 125.2 | 179.7 | -66.4 | 0 | 0 | 0 | 0 | 110.1 | I230 D233 G239 | I230-S237 PolarHBondContact O-OG 3.46Å; D233-S237 WeakPolarHBondContact O-CB 3.39Å; D233-S237 PolarHBondContact O-N 3.34Å; D233-S237 PolarHBondContact O-OG 3.06Å; S237-G239 PolarHBondContact O-N 3.32Å | ||
| 238 | W | 52.8 | Low | 71.5 | Confident | 219 Ų | 219 | 98.3 Ų | 98.3 | 83% | 0.83 | 49% | 0.487 | S | S | * | . | trans | -61.2 | 11.5 | 165.5 | -58.3 | 86.5 | 0 | 0 | 0 | 113.4 | I236 Q241 A242 | I236-W238 PolarHBondContact O-N 2.62Å; W238-Q241 WeakPolarHBondContact O-CB 3.45Å; W238-Q241 PolarHBondContact O-N 3.01Å; W238-A242 HydrophobicContact CB-CB 3.55Å; W238-A242 HydrophobicContact CG-CB 4.35Å; W238-A242 PolarHBondContact O-N 3.32Å | ||
| 239 | G | 60.6 | Low | 71.3 | Confident | 40 Ų | 40 | 102.4 Ų | 102.4 | 41% | 0.412 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | 55 | -165.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S237 Q241 A242 | S237-G239 PolarHBondContact O-N 3.32Å; G239-Q241 PolarHBondContact O-N 2.89Å; G239-Q241 VanDerWaalsContact O-N 3.12Å; G239-A242 PolarHBondContact O-N 3.04Å |
| 240 | I | 64.8 | Low | 71.4 | Confident | 72 Ų | 72 | 104.2 Ų | 104.2 | 37% | 0.369 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -11.9 | 166.4 | -73.2 | 159.4 | 0 | 0 | 0 | 111.2 | A102 A242 F243 K244 | A102-I240 HydrophobicContact CB-CD1 4.45Å; I240-A242 VanDerWaalsContact C-N 3.33Å; I240-A242 PolarHBondContact O-N 2.92Å; I240-F243 PolarHBondContact O-N 3.43Å; I240-F243 VanDerWaalsContact O-N 3.14Å; I240-K244 HydrophobicContact CG2-CD 3.99Å; I240-K244 HydrophobicContact CG2-CG 4.08Å; I240-K244 PolarHBondContact O-N 3.01Å |
| 241 | Q | 67 | Low | 71.5 | Confident | 146 Ų | 146 | 106.8 Ų | 106.8 | 68% | 0.682 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.1 | -36.1 | 178.4 | -54.5 | -176.1 | 17.3 | 0 | 0 | 111.9 | W238 G239 F243 K244 A245 | W238-Q241 WeakPolarHBondContact O-CB 3.45Å; W238-Q241 PolarHBondContact O-N 3.01Å; G239-Q241 PolarHBondContact O-N 2.89Å; G239-Q241 VanDerWaalsContact O-N 3.12Å; Q241-F243 VanDerWaalsContact C-N 3.29Å; Q241-F243 PolarHBondContact O-N 2.96Å; Q241-K244 CarbonylContact O-C 3.19Å; Q241-K244 PolarHBondContact O-N 3Å; Q241-K244 VanDerWaalsContact O-N 3.13Å; Q241-A245 WeakPolarHBondContact O-CB 3.33Å; Q241-A245 PolarHBondContact O-N 3.48Å |
| 242 | A | 67.4 | Low | 71.7 | Confident | 47 Ų | 47 | 105.5 Ų | 105.5 | 39% | 0.388 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.7 | -37.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | W238 G239 I240 K244 | W238-A242 HydrophobicContact CB-CB 3.55Å; W238-A242 HydrophobicContact CG-CB 4.35Å; W238-A242 PolarHBondContact O-N 3.32Å; G239-A242 PolarHBondContact O-N 3.04Å; I240-A242 VanDerWaalsContact C-N 3.33Å; I240-A242 PolarHBondContact O-N 2.92Å; A242-K244 VanDerWaalsContact C-N 3.34Å |
| 243 | F | 70 | Confident | 72.2 | Confident | 113 Ų | 113 | 105.9 Ų | 105.9 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -76.1 | -21.5 | 176.7 | -66.4 | -77.6 | 0 | 0 | 0 | 113.1 | I240 Q241 Y248 F250 | I240-F243 PolarHBondContact O-N 3.43Å; I240-F243 VanDerWaalsContact O-N 3.14Å; Q241-F243 VanDerWaalsContact C-N 3.29Å; Q241-F243 PolarHBondContact O-N 2.96Å; F243-Y248 WeakPolarHBondContact O-CA 3.23Å; F243-Y248 WeakPolarHBondContact O-CD1 3.4Å; F243-F250 HydrophobicContact CB-CD1 4.19Å; F243-F250 HydrophobicContact CB-CE1 4.49Å; F243-F250 HydrophobicContact CB-CG 4.5Å; F243-F250 HydrophobicContact CD1-CB 4.04Å; F243-F250 HydrophobicContact CD1-CD1 4.04Å; F243-F250 AromaticContact CD1-CD2 3.57Å; F243-F250 HydrophobicContact CD1-CD2 3.57Å; F243-F250 HydrophobicContact CD1-CE1 4.4Å; F243-F250 AromaticContact CD1-CE2 3.99Å; F243-F250 HydrophobicContact CD1-CE2 3.99Å; F243-F250 AromaticContact CD1-CG 3.59Å; F243-F250 HydrophobicContact CD1-CG 3.59Å; F243-F250 HydrophobicContact CD1-CZ 4.38Å; F243-F250 AromaticContact CE1-CD2 3.97Å; F243-F250 HydrophobicContact CE1-CD2 3.97Å; F243-F250 HydrophobicContact CE1-CE2 4.41Å; F243-F250 HydrophobicContact CE1-CG 4.34Å; F243-F250 WeakPolarHBondContact O-CD1 3.34Å |
| 244 | K | 72.5 | Confident | 72.7 | Confident | 118 Ų | 118 | 108.6 Ų | 108.6 | 51% | 0.513 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -92.3 | -19.4 | 175.5 | -71.4 | -178.7 | 176.9 | -179.9 | 0 | 113.4 | I240 Q241 A242 Y246 Y248 | I240-K244 HydrophobicContact CG2-CD 3.99Å; I240-K244 HydrophobicContact CG2-CG 4.08Å; I240-K244 PolarHBondContact O-N 3.01Å; Q241-K244 CarbonylContact O-C 3.19Å; Q241-K244 PolarHBondContact O-N 3Å; Q241-K244 VanDerWaalsContact O-N 3.13Å; A242-K244 VanDerWaalsContact C-N 3.34Å; K244-Y246 PolarHBondContact O-N 3.11Å; K244-Y248 HydrophobicContact CG-CE1 4Å; K244-Y248 PolarHBondContact O-N 3.4Å |
| 245 | A | 69.8 | Low | 73.9 | Confident | 38 Ų | 38 | 106.6 Ų | 106.6 | 31% | 0.314 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -54.4 | 137.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111 | Q241 N247 Y248 Y249 | Q241-A245 WeakPolarHBondContact O-CB 3.33Å; Q241-A245 PolarHBondContact O-N 3.48Å; A245-N247 PolarHBondContact O-N 3.01Å; A245-Y248 PolarHBondContact O-N 3.49Å; A245-Y249 PolarHBondContact O-N 3.48Å |
| 246 | Y | 76.1 | Confident | 75 | Confident | 209 Ų | 209 | 101 Ų | 101 | 82% | 0.82 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | 53.9 | 51.3 | 178.3 | -55.2 | -79.1 | 0 | 0 | 0 | 114.4 | K244 Y249 | K244-Y246 PolarHBondContact O-N 3.11Å; Y246-Y249 PolarHBondContact O-N 2.97Å |
| 247 | N | 76.8 | Confident | 76.5 | Confident | 153 Ų | 153 | 99.8 Ų | 99.8 | 82% | 0.818 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | 55.2 | 52.9 | 179.7 | -69 | -27.9 | 0 | 0 | 0 | 112.9 | A245 | A245-N247 PolarHBondContact O-N 3.01Å |
| 248 | Y | 80.2 | Confident | 78.3 | Confident | 136 Ų | 136 | 105.9 Ų | 105.9 | 53% | 0.533 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | 61.4 | 42.9 | -179.8 | -54.6 | -88.3 | 0 | 0 | 0 | 113.5 | F243 K244 A245 F250 W251 | F243-Y248 WeakPolarHBondContact O-CA 3.23Å; F243-Y248 WeakPolarHBondContact O-CD1 3.4Å; K244-Y248 HydrophobicContact CG-CE1 4Å; K244-Y248 PolarHBondContact O-N 3.4Å; A245-Y248 PolarHBondContact O-N 3.49Å; Y248-F250 HydrophobicContact CD1-CE1 4.4Å; Y248-F250 PolarHBondContact O-N 3.03Å; Y248-F250 VanDerWaalsContact O-N 3.15Å; Y248-W251 PolarHBondContact O-NE1 3.33Å |
| 249 | Y | 84.2 | Confident | 80.2 | Confident | 127 Ų | 127 | 99.8 Ų | 99.8 | 50% | 0.498 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -63.6 | -21.1 | -177.2 | -178 | -97.7 | 0 | 0 | 0 | 114.2 | A245 Y246 W251 L252 P253 | A245-Y249 PolarHBondContact O-N 3.48Å; Y246-Y249 PolarHBondContact O-N 2.97Å; Y249-W251 PolarHBondContact O-N 3.31Å; Y249-L252 HydrophobicContact CD2-CB 4.37Å; Y249-L252 HydrophobicContact CD2-CD2 4.04Å; Y249-L252 HydrophobicContact CE2-CB 4.3Å; Y249-L252 HydrophobicContact CE2-CD2 3.54Å; Y249-L252 WeakPolarHBondContact O-CB 3.39Å; Y249-L252 PolarHBondContact O-N 2.96Å; Y249-P253 HydrophobicContact CD1-CG 4.19Å; Y249-P253 HydrophobicContact CE1-CG 3.55Å; Y249-P253 WeakPolarHBondContact O-CD 3.35Å |
| 250 | F | 86.6 | Confident | 81.6 | Confident | 80 Ų | 80 | 100 Ų | 100 | 35% | 0.351 | 50% | 0.496 | S | S | . | . | G | 310 helix | trans | -54.3 | -31.6 | -170.3 | 79.5 | -84.7 | 0 | 0 | 0 | 115.3 | F243 Y248 L252 I254 | F243-F250 HydrophobicContact CB-CD1 4.19Å; F243-F250 HydrophobicContact CB-CE1 4.49Å; F243-F250 HydrophobicContact CB-CG 4.5Å; F243-F250 HydrophobicContact CD1-CB 4.04Å; F243-F250 HydrophobicContact CD1-CD1 4.04Å; F243-F250 AromaticContact CD1-CD2 3.57Å; F243-F250 HydrophobicContact CD1-CD2 3.57Å; F243-F250 HydrophobicContact CD1-CE1 4.4Å; F243-F250 AromaticContact CD1-CE2 3.99Å; F243-F250 HydrophobicContact CD1-CE2 3.99Å; F243-F250 AromaticContact CD1-CG 3.59Å; F243-F250 HydrophobicContact CD1-CG 3.59Å; F243-F250 HydrophobicContact CD1-CZ 4.38Å; F243-F250 AromaticContact CE1-CD2 3.97Å; F243-F250 HydrophobicContact CE1-CD2 3.97Å; F243-F250 HydrophobicContact CE1-CE2 4.41Å; F243-F250 HydrophobicContact CE1-CG 4.34Å; F243-F250 WeakPolarHBondContact O-CD1 3.34Å; Y248-F250 HydrophobicContact CD1-CE1 4.4Å; Y248-F250 PolarHBondContact O-N 3.03Å; Y248-F250 VanDerWaalsContact O-N 3.15Å; F250-L252 VanDerWaalsContact C-N 3.32Å; F250-I254 HydrophobicContact CD2-CD1 4.26Å; F250-I254 WeakPolarHBondContact O-CD1 3.5Å; F250-I254 WeakPolarHBondContact O-CG1 3.44Å |
| 251 | W | 87.2 | Confident | 82.8 | Confident | 120 Ų | 120 | 99.3 Ų | 99.3 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -77.4 | -22 | -178.2 | 68.7 | -93.8 | 0 | 0 | 0 | 112.2 | Y248 Y249 I254 I255 | Y248-W251 PolarHBondContact O-NE1 3.33Å; Y249-W251 PolarHBondContact O-N 3.31Å; W251-I254 PolarHBondContact O-N 2.98Å; W251-I254 VanDerWaalsContact O-N 3.17Å; W251-I255 HydrophobicContact CE3-CB 4.1Å; W251-I255 HydrophobicContact CE3-CD1 3.91Å; W251-I255 HydrophobicContact CE3-CG1 4.33Å; W251-I255 HydrophobicContact CZ3-CB 4.47Å; W251-I255 PolarHBondContact O-N 2.7Å |
| 252 | L | 86.3 | Confident | 84 | Confident | 78 Ų | 78 | 97.8 Ų | 97.8 | 41% | 0.408 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68 | -45.5 | -173.3 | -162.9 | 75 | 0 | 0 | 0 | 112.2 | Y249 F250 I254 G256 | Y249-L252 HydrophobicContact CD2-CB 4.37Å; Y249-L252 HydrophobicContact CD2-CD2 4.04Å; Y249-L252 HydrophobicContact CE2-CB 4.3Å; Y249-L252 HydrophobicContact CE2-CD2 3.54Å; Y249-L252 WeakPolarHBondContact O-CB 3.39Å; Y249-L252 PolarHBondContact O-N 2.96Å; F250-L252 VanDerWaalsContact C-N 3.32Å; L252-I254 PolarHBondContact O-N 3.41Å; L252-G256 VanDerWaalsContact O-CA 3.27Å; L252-G256 WeakPolarHBondContact O-CA 3.21Å; L252-G256 PolarHBondContact O-N 3.34Å |
| 253 | P | 86.9 | Confident | 85.2 | Confident | 67 Ų | 67 | 99.8 Ų | 99.8 | 44% | 0.435 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.5 | -20.8 | 171.7 | -20.3 | 33.3 | 0 | 0 | 0 | 114 | Y249 P257 | Y249-P253 HydrophobicContact CD1-CG 4.19Å; Y249-P253 HydrophobicContact CE1-CG 3.55Å; Y249-P253 WeakPolarHBondContact O-CD 3.35Å; P253-P257 WeakPolarHBondContact O-CD 3.16Å; P253-P257 VanDerWaalsContact O-CG 3.27Å; P253-P257 WeakPolarHBondContact O-CG 3.38Å |
| 254 | I | 87.8 | Confident | 86.1 | Confident | 98 Ų | 98 | 96.3 Ų | 96.3 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -79.4 | -53.9 | 178.7 | -60.6 | 172.1 | 0 | 0 | 0 | 109.4 | F250 W251 L252 Y258 | F250-I254 HydrophobicContact CD2-CD1 4.26Å; F250-I254 WeakPolarHBondContact O-CD1 3.5Å; F250-I254 WeakPolarHBondContact O-CG1 3.44Å; W251-I254 PolarHBondContact O-N 2.98Å; W251-I254 VanDerWaalsContact O-N 3.17Å; L252-I254 PolarHBondContact O-N 3.41Å; I254-Y258 WeakPolarHBondContact O-CD2 3.3Å; I254-Y258 WeakPolarHBondContact O-CE2 3.3Å |
| 255 | I | 91.4 | Very high | 87 | Confident | 75 Ų | 75 | 94.9 Ų | 94.9 | 39% | 0.385 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -83.7 | -32.7 | -173.9 | -64 | -177.4 | 0 | 0 | 0 | 111.9 | W251 Y258 I259 | W251-I255 HydrophobicContact CE3-CB 4.1Å; W251-I255 HydrophobicContact CE3-CD1 3.91Å; W251-I255 HydrophobicContact CE3-CG1 4.33Å; W251-I255 HydrophobicContact CZ3-CB 4.47Å; W251-I255 PolarHBondContact O-N 2.7Å; I255-Y258 PolarHBondContact O-N 2.94Å; I255-I259 HydrophobicContact CG2-CD1 3.49Å; I255-I259 VanDerWaalsContact CG2-CD1 3.49Å; I255-I259 HydrophobicContact CG2-CG1 3.88Å; I255-I259 PolarHBondContact O-N 3.02Å; I255-I259 VanDerWaalsContact O-N 3.09Å |
| 256 | G | 89.5 | Confident | 87.9 | Confident | 32 Ų | 32 | 98.7 Ų | 98.7 | 33% | 0.33 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -53.2 | -50.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L252 Y258 I259 G260 | L252-G256 VanDerWaalsContact O-CA 3.27Å; L252-G256 WeakPolarHBondContact O-CA 3.21Å; L252-G256 PolarHBondContact O-N 3.34Å; G256-Y258 VanDerWaalsContact C-N 3.35Å; G256-Y258 PolarHBondContact O-N 3.44Å; G256-I259 PolarHBondContact O-N 2.73Å; G256-G260 PolarHBondContact O-N 2.97Å |
| 257 | P | 93.3 | Very high | 88.5 | Confident | 82 Ų | 82 | 95.3 Ų | 95.3 | 53% | 0.532 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 177.6 | -26.7 | 36.2 | 0 | 0 | 0 | 113.7 | P253 G260 A261 | P253-P257 WeakPolarHBondContact O-CD 3.16Å; P253-P257 VanDerWaalsContact O-CG 3.27Å; P253-P257 WeakPolarHBondContact O-CG 3.38Å; P257-G260 PolarHBondContact O-N 3.47Å; P257-A261 VanDerWaalsContact O-CB 3.29Å; P257-A261 WeakPolarHBondContact O-CB 3.39Å; P257-A261 PolarHBondContact O-N 3.27Å |
| 258 | Y | 92.3 | Very high | 88.8 | Confident | 174 Ų | 174 | 95.7 Ų | 95.7 | 68% | 0.682 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.6 | -42.1 | 178.9 | -63.3 | -75.8 | 0 | 0 | 0 | 112.1 | I254 I255 G256 A261 L262 | I254-Y258 WeakPolarHBondContact O-CD2 3.3Å; I254-Y258 WeakPolarHBondContact O-CE2 3.3Å; I255-Y258 PolarHBondContact O-N 2.94Å; G256-Y258 VanDerWaalsContact C-N 3.35Å; G256-Y258 PolarHBondContact O-N 3.44Å; Y258-A261 PolarHBondContact O-N 3.41Å; Y258-L262 WeakPolarHBondContact O-CB 3.47Å; Y258-L262 PolarHBondContact O-N 2.88Å |
| 259 | I | 92.8 | Very high | 88.9 | Confident | 91 Ų | 91 | 91.1 Ų | 91.1 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 174.6 | -63.9 | -179.2 | 0 | 0 | 0 | 110.3 | I255 G256 L262 I263 | I255-I259 HydrophobicContact CG2-CD1 3.49Å; I255-I259 VanDerWaalsContact CG2-CD1 3.49Å; I255-I259 HydrophobicContact CG2-CG1 3.88Å; I255-I259 PolarHBondContact O-N 3.02Å; I255-I259 VanDerWaalsContact O-N 3.09Å; G256-I259 PolarHBondContact O-N 2.73Å; I259-L262 PolarHBondContact O-N 3.42Å; I259-I263 HydrophobicContact CG2-CD1 3.8Å; I259-I263 HydrophobicContact CG2-CG1 4.44Å; I259-I263 WeakPolarHBondContact O-CG1 3.32Å; I259-I263 PolarHBondContact O-N 3.15Å |
| 260 | G | 90 | Very high | 88.9 | Confident | 43 Ų | 43 | 91.4 Ų | 91.4 | 44% | 0.443 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G256 P257 I263 G264 | G256-G260 PolarHBondContact O-N 2.97Å; P257-G260 PolarHBondContact O-N 3.47Å; G260-I263 PolarHBondContact O-N 2.88Å; G260-G264 PolarHBondContact O-N 2.86Å |
| 261 | A | 91.8 | Very high | 88.6 | Confident | 58 Ų | 58 | 91.6 Ų | 91.6 | 48% | 0.479 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | P257 Y258 I263 G264 T265 | P257-A261 VanDerWaalsContact O-CB 3.29Å; P257-A261 WeakPolarHBondContact O-CB 3.39Å; P257-A261 PolarHBondContact O-N 3.27Å; Y258-A261 PolarHBondContact O-N 3.41Å; A261-I263 PolarHBondContact O-N 2.81Å; A261-G264 PolarHBondContact O-N 2.8Å; A261-T265 PolarHBondContact O-N 3.33Å; A261-T265 PolarHBondContact O-OG1 2.76Å; A261-T265 VanDerWaalsContact O-OG1 3.05Å |
| 262 | L | 92.1 | Very high | 88.2 | Confident | 115 Ų | 115 | 89.4 Ų | 89.4 | 60% | 0.602 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -57.7 | -48 | 176.8 | -177.7 | 68.5 | 0 | 0 | 0 | 111.9 | Y258 I259 L266 | Y258-L262 WeakPolarHBondContact O-CB 3.47Å; Y258-L262 PolarHBondContact O-N 2.88Å; I259-L262 PolarHBondContact O-N 3.42Å; L262-L266 WeakPolarHBondContact O-CG 3.24Å; L262-L266 PolarHBondContact O-N 3.42Å |
| 263 | I | 92.5 | Very high | 87.5 | Confident | 88 Ų | 88 | 89 Ų | 89 | 45% | 0.451 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.8 | -41 | 178.7 | -65.4 | 170.2 | 0 | 0 | 0 | 111 | I259 G260 A261 T265 L266 F267 | I259-I263 HydrophobicContact CG2-CD1 3.8Å; I259-I263 HydrophobicContact CG2-CG1 4.44Å; I259-I263 WeakPolarHBondContact O-CG1 3.32Å; I259-I263 PolarHBondContact O-N 3.15Å; G260-I263 PolarHBondContact O-N 2.88Å; A261-I263 PolarHBondContact O-N 2.81Å; I263-T265 PolarHBondContact O-N 3.37Å; I263-L266 PolarHBondContact O-N 3.29Å; I263-F267 HydrophobicContact CG2-CD2 3.92Å; I263-F267 HydrophobicContact CG2-CE2 4.18Å; I263-F267 PolarHBondContact O-N 3.04Å |
| 264 | G | 89.1 | Confident | 86.7 | Confident | 40 Ų | 40 | 90.3 Ų | 90.3 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.6 | -45.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | G260 A261 L266 F267 Y268 | G260-G264 PolarHBondContact O-N 2.86Å; A261-G264 PolarHBondContact O-N 2.8Å; G264-L266 PolarHBondContact O-N 2.85Å; G264-F267 PolarHBondContact O-N 3.42Å; G264-Y268 WeakPolarHBondContact O-CB 3.5Å; G264-Y268 PolarHBondContact O-N 3.49Å |
| 265 | T | 90.8 | Very high | 85.8 | Confident | 89 Ų | 89 | 91.9 Ų | 91.9 | 55% | 0.546 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 176.3 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | A261 I263 Y268 G269 | A261-T265 PolarHBondContact O-N 3.33Å; A261-T265 PolarHBondContact O-OG1 2.76Å; A261-T265 VanDerWaalsContact O-OG1 3.05Å; I263-T265 PolarHBondContact O-N 3.37Å; T265-Y268 PolarHBondContact O-N 3.03Å; T265-G269 PolarHBondContact O-N 3.48Å |
| 266 | L | 88.5 | Confident | 84.4 | Confident | 118 Ų | 118 | 95 Ų | 95 | 62% | 0.618 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 175.4 | -71.2 | 172.8 | 0 | 0 | 0 | 112.1 | L262 I263 G264 G269 F270 | L262-L266 WeakPolarHBondContact O-CG 3.24Å; L262-L266 PolarHBondContact O-N 3.42Å; I263-L266 PolarHBondContact O-N 3.29Å; G264-L266 PolarHBondContact O-N 2.85Å; L266-G269 PolarHBondContact O-N 3.38Å; L266-F270 WeakPolarHBondContact O-CB 3.34Å; L266-F270 PolarHBondContact O-N 2.99Å |
| 267 | F | 89.5 | Confident | 82.9 | Confident | 138 Ų | 138 | 98.7 Ų | 98.7 | 61% | 0.605 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.3 | -40.6 | 176.5 | -100.7 | -93.3 | 0 | 0 | 0 | 112.8 | I263 G264 F270 T271 | I263-F267 HydrophobicContact CG2-CD2 3.92Å; I263-F267 HydrophobicContact CG2-CE2 4.18Å; I263-F267 PolarHBondContact O-N 3.04Å; G264-F267 PolarHBondContact O-N 3.42Å; F267-F270 PolarHBondContact O-N 2.88Å; F267-T271 WeakPolarHBondContact O-CB 3.36Å; F267-T271 PolarHBondContact O-N 3.39Å; F267-T271 PolarHBondContact O-OG1 3.42Å |
| 268 | Y | 82.8 | Confident | 81.1 | Confident | 160 Ų | 160 | 99.2 Ų | 99.2 | 63% | 0.627 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.4 | -48.9 | 174.5 | 176.1 | -104.6 | 0 | 0 | 0 | 111 | G264 T265 F270 T271 I272 | G264-Y268 WeakPolarHBondContact O-CB 3.5Å; G264-Y268 PolarHBondContact O-N 3.49Å; T265-Y268 PolarHBondContact O-N 3.03Å; Y268-F270 VanDerWaalsContact C-N 3.35Å; Y268-F270 PolarHBondContact O-N 3.32Å; Y268-T271 PolarHBondContact O-N 3.01Å; Y268-I272 HydrophobicContact CD1-CD1 4.25Å; Y268-I272 HydrophobicContact CD2-CD1 4.23Å; Y268-I272 HydrophobicContact CE1-CD1 3.56Å; Y268-I272 HydrophobicContact CE2-CD1 3.52Å; Y268-I272 HydrophobicContact CE2-CG1 4.21Å; Y268-I272 PolarHBondContact O-N 2.94Å; Y268-I272 WeakPolarHBondContact OH-CD1 3.43Å |
| 269 | G | 81.5 | Confident | 79.2 | Confident | 40 Ų | 40 | 98.5 Ų | 98.5 | 41% | 0.412 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | T265 L266 C273 | T265-G269 PolarHBondContact O-N 3.48Å; L266-G269 PolarHBondContact O-N 3.38Å; G269-C273 WeakPolarHBondContact O-CB 3.5Å; G269-C273 PolarHBondContact O-N 3.23Å |
| 270 | F | 83.7 | Confident | 77 | Confident | 133 Ų | 133 | 100 Ų | 100 | 58% | 0.583 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.9 | -42.1 | 176.8 | -175.4 | -104 | 0 | 0 | 0 | 112.7 | L266 F267 Y268 C273 I274 | L266-F270 WeakPolarHBondContact O-CB 3.34Å; L266-F270 PolarHBondContact O-N 2.99Å; F267-F270 PolarHBondContact O-N 2.88Å; Y268-F270 VanDerWaalsContact C-N 3.35Å; Y268-F270 PolarHBondContact O-N 3.32Å; F270-C273 PolarHBondContact O-N 3.48Å; F270-I274 HydrophobicContact CD1-CD1 3.85Å; F270-I274 HydrophobicContact CE1-CD1 3.27Å; F270-I274 HydrophobicContact CE1-CG1 4.41Å; F270-I274 HydrophobicContact CE2-CD1 4.06Å; F270-I274 HydrophobicContact CG-CD1 4.48Å; F270-I274 HydrophobicContact CZ-CD1 3.4Å; F270-I274 VanDerWaalsContact CZ-CD1 3.4Å; F270-I274 HydrophobicContact CZ-CG1 4.39Å; F270-I274 PolarHBondContact O-N 3.42Å |
| 271 | T | 80.3 | Confident | 75.1 | Confident | 84 Ų | 84 | 105 Ų | 105 | 52% | 0.515 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.4 | -43.7 | -178.6 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | F267 Y268 I274 H275 | F267-T271 WeakPolarHBondContact O-CB 3.36Å; F267-T271 PolarHBondContact O-N 3.39Å; F267-T271 PolarHBondContact O-OG1 3.42Å; Y268-T271 PolarHBondContact O-N 3.01Å; T271-I274 PolarHBondContact O-N 3.22Å; T271-H275 PolarHBondContact O-N 3.28Å; T271-H275 VanDerWaalsContact O-N 3.12Å |
| 272 | I | 79.4 | Confident | 72.7 | Confident | 75 Ų | 75 | 112.5 Ų | 112.5 | 39% | 0.385 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.6 | -42.7 | 174.4 | -70.3 | -171.1 | 0 | 0 | 0 | 110.8 | Y268 I274 H275 F276 | Y268-I272 HydrophobicContact CD1-CD1 4.25Å; Y268-I272 HydrophobicContact CD2-CD1 4.23Å; Y268-I272 HydrophobicContact CE1-CD1 3.56Å; Y268-I272 HydrophobicContact CE2-CD1 3.52Å; Y268-I272 HydrophobicContact CE2-CG1 4.21Å; Y268-I272 PolarHBondContact O-N 2.94Å; Y268-I272 WeakPolarHBondContact OH-CD1 3.43Å; I272-I274 VanDerWaalsContact C-N 3.33Å; I272-I274 PolarHBondContact O-N 3.14Å; I272-H275 PolarHBondContact O-N 3.03Å; I272-F276 WeakPolarHBondContact O-CB 3.39Å; I272-F276 PolarHBondContact O-N 3.47Å |
| 273 | C | 70.9 | Confident | 70.4 | Confident | 70 Ų | 70 | 115 Ų | 115 | 47% | 0.473 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -58.1 | -44.6 | 179.3 | -172.5 | 0 | 0 | 0 | 0 | 111.7 | G269 F270 I277 | G269-C273 WeakPolarHBondContact O-CB 3.5Å; G269-C273 PolarHBondContact O-N 3.23Å; F270-C273 PolarHBondContact O-N 3.48Å; C273-I277 WeakPolarHBondContact O-CB 3.35Å; C273-I277 WeakPolarHBondContact O-CD1 3.43Å; C273-I277 VanDerWaalsContact O-CG1 3.29Å; C273-I277 WeakPolarHBondContact O-CG1 3.19Å; C273-I277 PolarHBondContact O-N 2.73Å |
| 274 | I | 69.9 | Low | 68.1 | Low | 94 Ų | 94 | 118.8 Ų | 118.8 | 48% | 0.482 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.9 | -41.1 | 177.1 | -71.2 | 176.5 | 0 | 0 | 0 | 111.8 | F270 T271 I272 S278 | F270-I274 HydrophobicContact CD1-CD1 3.85Å; F270-I274 HydrophobicContact CE1-CD1 3.27Å; F270-I274 HydrophobicContact CE1-CG1 4.41Å; F270-I274 HydrophobicContact CE2-CD1 4.06Å; F270-I274 HydrophobicContact CG-CD1 4.48Å; F270-I274 HydrophobicContact CZ-CD1 3.4Å; F270-I274 VanDerWaalsContact CZ-CD1 3.4Å; F270-I274 HydrophobicContact CZ-CG1 4.39Å; F270-I274 PolarHBondContact O-N 3.42Å; T271-I274 PolarHBondContact O-N 3.22Å; I272-I274 VanDerWaalsContact C-N 3.33Å; I272-I274 PolarHBondContact O-N 3.14Å; I274-S278 PolarHBondContact O-N 3.36Å |
| 275 | H | 70.3 | Confident | 65.7 | Low | 130 Ų | 130 | 123.3 Ų | 123.3 | 60% | 0.602 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -76 | -33.1 | -175.4 | -146.5 | 40.4 | 0 | 0 | 0 | 112.9 | T271 I272 S278 | T271-H275 PolarHBondContact O-N 3.28Å; T271-H275 VanDerWaalsContact O-N 3.12Å; I272-H275 PolarHBondContact O-N 3.03Å; H275-S278 PolarHBondContact O-N 2.91Å |
| 276 | F | 62.6 | Low | 63.4 | Low | 141 Ų | 141 | 127.6 Ų | 127.6 | 62% | 0.618 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.9 | -29.8 | 177.1 | -136 | -93.7 | 0 | 0 | 0 | 112.4 | I272 S278 | I272-F276 WeakPolarHBondContact O-CB 3.39Å; I272-F276 PolarHBondContact O-N 3.47Å; F276-S278 VanDerWaalsContact C-N 3.3Å; F276-S278 PolarHBondContact O-N 2.95Å |
| 277 | I | 57.6 | Low | 61.1 | Low | 110 Ų | 110 | 126.5 Ų | 126.5 | 56% | 0.564 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67 | -31.9 | 174.1 | -76.8 | 165.4 | 0 | 0 | 0 | 111.5 | C273 F279 | C273-I277 WeakPolarHBondContact O-CB 3.35Å; C273-I277 WeakPolarHBondContact O-CD1 3.43Å; C273-I277 VanDerWaalsContact O-CG1 3.29Å; C273-I277 WeakPolarHBondContact O-CG1 3.19Å; C273-I277 PolarHBondContact O-N 2.73Å; I277-F279 VanDerWaalsContact C-N 3.29Å; I277-F279 PolarHBondContact O-N 2.94Å |
| 278 | S | 55.4 | Low | 58.6 | Low | 92 Ų | 92 | 126.4 Ų | 126.4 | 64% | 0.643 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -7.3 | -176.3 | -159.1 | 0 | 0 | 0 | 0 | 115.1 | I274 H275 F276 | I274-S278 PolarHBondContact O-N 3.36Å; H275-S278 PolarHBondContact O-N 2.91Å; F276-S278 VanDerWaalsContact C-N 3.3Å; F276-S278 PolarHBondContact O-N 2.95Å |
| 279 | F | 52 | Low | 56.4 | Low | 159 Ų | 159 | 125.8 Ų | 125.8 | 70% | 0.697 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -14.5 | -177.8 | -94.8 | -78 | 0 | 0 | 0 | 115.8 | I277 | I277-F279 VanDerWaalsContact C-N 3.29Å; I277-F279 PolarHBondContact O-N 2.94Å |
| 280 | N | 46.7 | Very low | 54.3 | Low | 122 Ų | 122 | 133.2 Ų | 133.2 | 65% | 0.652 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -89.7 | -4.5 | -178.8 | -83 | -9.7 | 0 | 0 | 0 | 114.9 | Y282 | N280-Y282 VanDerWaalsContact C-N 3.25Å; N280-Y282 PolarHBondContact O-N 2.98Å |
| 281 | D | 49.8 | Very low | 51.7 | Low | 148 Ų | 148 | 135.1 Ų | 135.1 | 79% | 0.791 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -80.9 | 11.6 | -179.5 | -85.6 | -18.7 | 0 | 0 | 0 | 114.9 | ||
| 282 | Y | 42 | Very low | 49.2 | Very low | 216 Ų | 216 | 137.4 Ų | 137.4 | 85% | 0.847 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -118.6 | 1.3 | -176.4 | -119.8 | -84.8 | 0 | 0 | 0 | 118.5 | N280 | N280-Y282 VanDerWaalsContact C-N 3.25Å; N280-Y282 PolarHBondContact O-N 2.98Å |
| 283 | D | 43 | Very low | 47 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 90% | 0.904 | 71% | 0.714 | S | S | * | * | trans | -108.2 | 77.7 | 170.9 | -98.3 | -25.9 | 0 | 0 | 0 | 112.1 | ||||
| 284 | H | 44.6 | Very low | 45.5 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 77% | 0.769 | 73% | 0.727 | S | S | * | * | trans | -78.6 | 133.2 | 159.9 | -122.4 | -71.5 | 0 | 0 | 0 | 108.9 | ||||
| 285 | N | 38 | Very low | 43.9 | Very low | 135 Ų | 135 | 144.1 Ų | 144.1 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | 101.6 | 72.8 | 165.6 | -50.3 | -37 | 0 | 0 | 0 | 116.8 | ||||
| 286 | H | 43.1 | Very low | 42.1 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 83% | 0.833 | 74% | 0.735 | S | S | * | * | -152.2 | 98.8 | 124.5 | -112.7 | -59.3 | 0 | 0 | 0 | 112.1 | |||||
| 287 | T | 40.2 | Very low | 41.3 | Very low | 95 Ų | 95 | 141.8 Ų | 141.8 | 58% | 0.583 | 73% | 0.732 | S | S | * | * | trans | 25.9 | 117 | 136.9 | 52.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 288 | N | 36.3 | Very low | 40.6 | Very low | 136 Ų | 136 | 142 Ų | 142 | 73% | 0.727 | 74% | 0.738 | S | S | * | * | trans | 73.2 | 91.6 | 133.2 | -52 | -23.3 | 0 | 0 | 0 | 117.4 | ||||
| 289 | N | 36.7 | Very low | 40 | Very low | 147 Ų | 147 | 140.8 Ų | 140.8 | 79% | 0.786 | 73% | 0.73 | S | S | * | * | 169.9 | 114.3 | 108.2 | -82.1 | -28.5 | 0 | 0 | 0 | 110.9 | |||||
| 290 | K | 37 | Very low | 39.4 | Very low | 196 Ų | 196 | 138 Ų | 138 | 85% | 0.852 | 72% | 0.722 | S | S | * | * | trans | 31.6 | 93.3 | 141 | -57.1 | 177.7 | -177.7 | 175.2 | 0 | 117.4 | ||||
| 291 | E | 30.6 | Very low | 39.2 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | 178.6 | 106.3 | 121.3 | -100 | 175 | -179.9 | 0 | 0 | 108.4 | T293 | E291-T293 VanDerWaalsContact C-N 3.31Å; E291-T293 PolarHBondContact O-N 3.43Å | |||
| 292 | C | 28.2 | Very low | 38.8 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 90% | 0.899 | 71% | 0.709 | S | S | * | * | trans | -80.2 | 85.6 | 161.1 | -86.4 | 0 | 0 | 0 | 0 | 107.5 | M294 | C292-M294 PolarHBondContact O-N 3.2Š| ||
| 293 | T | 33 | Very low | 38.9 | Very low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 70% | 0.695 | S | S | * | * | trans | -91.3 | 86.7 | 158.7 | 36.8 | 0 | 0 | 0 | 0 | 107.6 | E291 I295 | E291-T293 VanDerWaalsContact C-N 3.31Å; E291-T293 PolarHBondContact O-N 3.43Å; T293-I295 PolarHBondContact O-N 3.38Å | ||
| 294 | M | 37.7 | Very low | 39.1 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 75% | 0.749 | 67% | 0.669 | S | S | * | * | trans | -69.4 | 110.4 | 167 | -75.1 | -76.8 | -84.7 | 0 | 0 | 108.3 | C292 | C292-M294 PolarHBondContact O-N 3.2Š| ||
| 295 | I | 36.2 | Very low | 39.5 | Very low | 105 Ų | 105 | 121.3 Ų | 121.3 | 54% | 0.538 | 65% | 0.652 | S | S | . | * | trans | 71.7 | 90.2 | 137.7 | -48.8 | 165 | 0 | 0 | 0 | 115.4 | T293 | T293-I295 PolarHBondContact O-N 3.38Š| ||
| 296 | D | 34.2 | Very low | 40 | Very low | 132 Ų | 132 | 119.7 Ų | 119.7 | 71% | 0.706 | 64% | 0.643 | S | S | * | * | trans | -127.9 | 14.7 | 140.7 | -100.1 | -23 | 0 | 0 | 0 | 111.3 | T298 S299 | D296-T298 PolarHBondContact O-N 3.22Å; D296-T298 VanDerWaalsContact O-N 3.17Å; D296-S299 PolarHBondContact O-N 3.31Å | ||
| 297 | T | 45 | Very low | 40.5 | Very low | 90 Ų | 90 | 115.8 Ų | 115.8 | 55% | 0.552 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -74.6 | -1.8 | -173.8 | 18.4 | 0 | 0 | 0 | 0 | 114.7 | Y301 | T297-Y301 HydrophobicContact CG2-CD2 4.42Å; T297-Y301 HydrophobicContact CG2-CE2 4.14Å; T297-Y301 WeakPolarHBondContact O-CD2 3.27Å |
| 298 | T | 42 | Very low | 41.3 | Very low | 114 Ų | 114 | 118.1 Ų | 118.1 | 70% | 0.699 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -88.2 | -22.4 | 172.6 | 49 | 0 | 0 | 0 | 0 | 113.5 | D296 | D296-T298 PolarHBondContact O-N 3.22Å; D296-T298 VanDerWaalsContact O-N 3.17Å |
| 299 | S | 43.1 | Very low | 42.3 | Very low | 67 Ų | 67 | 118 Ų | 118 | 47% | 0.469 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -78.2 | -40.4 | 177.1 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | D296 Q303 | D296-S299 PolarHBondContact O-N 3.31Å; S299-Q303 PolarHBondContact O-N 3.33Å |
| 300 | N | 40.1 | Very low | 43.1 | Very low | 100 Ų | 100 | 117.3 Ų | 117.3 | 54% | 0.535 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -82.7 | -27.2 | -170.3 | -69 | -22.9 | 0 | 0 | 0 | 113.9 | S304 | N300-S304 VanDerWaalsContact O-CB 3.3Å; N300-S304 WeakPolarHBondContact O-CB 3.5Å; N300-S304 PolarHBondContact O-N 2.96Å; N300-S304 PolarHBondContact O-OG 3.26Å |
| 301 | Y | 42.1 | Very low | 44 | Very low | 167 Ų | 167 | 113 Ų | 113 | 66% | 0.655 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -73.6 | -32.1 | 176.9 | -87.8 | -87.1 | 0 | 0 | 0 | 113 | T297 S304 S305 | T297-Y301 HydrophobicContact CG2-CD2 4.42Å; T297-Y301 HydrophobicContact CG2-CE2 4.14Å; T297-Y301 WeakPolarHBondContact O-CD2 3.27Å; Y301-S304 PolarHBondContact O-OG 2.99Å; Y301-S305 WeakPolarHBondContact O-CB 3.35Å; Y301-S305 PolarHBondContact O-N 3.23Å; Y301-S305 PolarHBondContact O-OG 2.92Å |
| 302 | C | 42.1 | Very low | 45.3 | Very low | 76 Ų | 76 | 111.5 Ų | 111.5 | 51% | 0.514 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -74.4 | -30.2 | 174.3 | -94.5 | 0 | 0 | 0 | 0 | 112.9 | L306 | C302-L306 WeakPolarHBondContact O-CB 3.48Å |
| 303 | Q | 42.9 | Very low | 46.6 | Very low | 118 Ų | 118 | 110.5 Ų | 110.5 | 55% | 0.551 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -78.1 | -36 | 171.4 | -82.3 | -170.1 | -80.6 | 0 | 0 | 112.3 | S299 I307 | S299-Q303 PolarHBondContact O-N 3.33Å; Q303-I307 VanDerWaalsContact O-CB 3.27Å; Q303-I307 WeakPolarHBondContact O-CB 3.09Å; Q303-I307 VanDerWaalsContact O-CD1 3.25Å; Q303-I307 WeakPolarHBondContact O-CD1 3.42Å; Q303-I307 WeakPolarHBondContact O-CG1 3.48Å; Q303-I307 PolarHBondContact O-N 3.39Å |
| 304 | S | 48.8 | Very low | 47.5 | Very low | 52 Ų | 52 | 110.1 Ų | 110.1 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -74.3 | -38.6 | -179.4 | 75.2 | 0 | 0 | 0 | 0 | 112.5 | N300 Y301 I307 E308 | N300-S304 VanDerWaalsContact O-CB 3.3Å; N300-S304 WeakPolarHBondContact O-CB 3.5Å; N300-S304 PolarHBondContact O-N 2.96Å; N300-S304 PolarHBondContact O-OG 3.26Å; Y301-S304 PolarHBondContact O-OG 2.99Å; S304-I307 PolarHBondContact O-N 3.04Å; S304-E308 WeakPolarHBondContact O-CB 3.27Å; S304-E308 PolarHBondContact O-N 3.34Å |
| 305 | S | 51.4 | Low | 48.3 | Very low | 58 Ų | 58 | 109.9 Ų | 109.9 | 41% | 0.406 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72.7 | -38.4 | -178.8 | 87.8 | 0 | 0 | 0 | 0 | 112.8 | Y301 I307 E309 | Y301-S305 WeakPolarHBondContact O-CB 3.35Å; Y301-S305 PolarHBondContact O-N 3.23Å; Y301-S305 PolarHBondContact O-OG 2.92Å; S305-I307 VanDerWaalsContact C-N 3.32Å; S305-E309 PolarHBondContact O-N 3.32Å |
| 306 | L | 48.5 | Very low | 49 | Very low | 102 Ų | 102 | 109.3 Ų | 109.3 | 53% | 0.534 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -70.4 | -29.1 | 175.6 | -81.6 | 170.7 | 0 | 0 | 0 | 112.4 | C302 M310 | C302-L306 WeakPolarHBondContact O-CB 3.48Å; L306-M310 VanDerWaalsContact O-CB 3.31Å; L306-M310 WeakPolarHBondContact O-CB 3.34Å; L306-M310 WeakPolarHBondContact O-CG 3.39Å; L306-M310 PolarHBondContact O-N 3.29Å |
| 307 | I | 53.4 | Low | 49.9 | Very low | 98 Ų | 98 | 108.3 Ų | 108.3 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -79.9 | -34.2 | 176.8 | -67.9 | 171.8 | 0 | 0 | 0 | 111.4 | Q303 S304 S305 N311 | Q303-I307 VanDerWaalsContact O-CB 3.27Å; Q303-I307 WeakPolarHBondContact O-CB 3.09Å; Q303-I307 VanDerWaalsContact O-CD1 3.25Å; Q303-I307 WeakPolarHBondContact O-CD1 3.42Å; Q303-I307 WeakPolarHBondContact O-CG1 3.48Å; Q303-I307 PolarHBondContact O-N 3.39Å; S304-I307 PolarHBondContact O-N 3.04Å; S305-I307 VanDerWaalsContact C-N 3.32Å; I307-N311 WeakPolarHBondContact O-CB 3.25Å; I307-N311 PolarHBondContact O-N 3.02Å |
| 308 | E | 57.3 | Low | 50.2 | Low | 144 Ų | 144 | 107.6 Ų | 107.6 | 67% | 0.673 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.9 | -41.8 | 174.3 | -83.8 | -179 | 156.7 | 0 | 0 | 112.6 | S304 N311 E312 | S304-E308 WeakPolarHBondContact O-CB 3.27Å; S304-E308 PolarHBondContact O-N 3.34Å; E308-N311 PolarHBondContact O-N 3.38Å; E308-E312 PolarHBondContact O-N 2.95Å |
| 309 | E | 58 | Low | 50.7 | Low | 134 Ų | 134 | 108 Ų | 108 | 63% | 0.626 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67 | -38.6 | 175.9 | -89 | -178.5 | 152.2 | 0 | 0 | 112.4 | S305 N311 E312 D313 | S305-E309 PolarHBondContact O-N 3.32Å; E309-N311 VanDerWaalsContact C-N 3.25Å; E309-N311 PolarHBondContact O-N 3.29Å; E309-E312 PolarHBondContact O-N 3.44Å; E309-D313 PolarHBondContact O-N 3.12Å |
| 310 | M | 53.6 | Low | 50.9 | Low | 132 Ų | 132 | 110.3 Ų | 110.3 | 65% | 0.65 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -68.7 | -23 | 176.1 | -73.2 | -178.2 | 66.8 | 0 | 0 | 113.3 | L306 L314 | L306-M310 VanDerWaalsContact O-CB 3.31Å; L306-M310 WeakPolarHBondContact O-CB 3.34Å; L306-M310 WeakPolarHBondContact O-CG 3.39Å; L306-M310 PolarHBondContact O-N 3.29Å; M310-L314 WeakPolarHBondContact O-CB 3.44Å; M310-L314 PolarHBondContact O-N 3.02Å |
| 311 | N | 56.2 | Low | 51.4 | Low | 104 Ų | 104 | 111.2 Ų | 111.2 | 56% | 0.556 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -82.5 | -33.7 | 176.6 | -99.8 | -11.8 | 0 | 0 | 0 | 112.9 | I307 E308 E309 L314 F315 | I307-N311 WeakPolarHBondContact O-CB 3.25Å; I307-N311 PolarHBondContact O-N 3.02Å; E308-N311 PolarHBondContact O-N 3.38Å; E309-N311 VanDerWaalsContact C-N 3.25Å; E309-N311 PolarHBondContact O-N 3.29Å; N311-L314 PolarHBondContact O-N 2.88Å; N311-F315 WeakPolarHBondContact O-CB 3.32Å; N311-F315 PolarHBondContact O-N 2.83Å |
| 312 | E | 57.2 | Low | 51.8 | Low | 141 Ų | 141 | 109.1 Ų | 109.1 | 66% | 0.659 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66 | -42 | 173.9 | -91.7 | -96.1 | 151.9 | 0 | 0 | 111.6 | E308 E309 L314 F315 N316 | E308-E312 PolarHBondContact O-N 2.95Å; E309-E312 PolarHBondContact O-N 3.44Å; E312-L314 VanDerWaalsContact C-N 3.32Å; E312-L314 PolarHBondContact O-N 3.46Å; E312-F315 PolarHBondContact O-N 3.44Å; E312-N316 PolarHBondContact O-N 3.12Å; E312-N316 VanDerWaalsContact O-N 3.11Å |
| 313 | D | 55.6 | Low | 51.7 | Low | 113 Ų | 113 | 110.8 Ų | 110.8 | 60% | 0.604 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.6 | -30.9 | 176.2 | -78.6 | -23.2 | 0 | 0 | 0 | 112.5 | E309 I317 | E309-D313 PolarHBondContact O-N 3.12Å; D313-I317 WeakPolarHBondContact O-CD1 3.48Å; D313-I317 WeakPolarHBondContact O-CG1 3.36Å; D313-I317 PolarHBondContact O-N 3.44Å |
| 314 | L | 52.8 | Low | 51.8 | Low | 113 Ų | 113 | 113.8 Ų | 113.8 | 59% | 0.592 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -73 | -34.2 | 174.3 | -137.9 | 79.6 | 0 | 0 | 0 | 112 | M310 N311 E312 I317 T318 | M310-L314 WeakPolarHBondContact O-CB 3.44Å; M310-L314 PolarHBondContact O-N 3.02Å; N311-L314 PolarHBondContact O-N 2.88Å; E312-L314 VanDerWaalsContact C-N 3.32Å; E312-L314 PolarHBondContact O-N 3.46Å; L314-I317 PolarHBondContact O-N 3.34Å; L314-T318 PolarHBondContact O-N 2.88Å; L314-T318 PolarHBondContact O-OG1 3.01Å |
| 315 | F | 54.1 | Low | 51.8 | Low | 147 Ų | 147 | 116.5 Ų | 116.5 | 65% | 0.645 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.9 | -35.4 | -179.8 | -147.2 | -93.9 | 0 | 0 | 0 | 112 | N311 E312 I317 T318 E319 | N311-F315 WeakPolarHBondContact O-CB 3.32Å; N311-F315 PolarHBondContact O-N 2.83Å; E312-F315 PolarHBondContact O-N 3.44Å; F315-I317 VanDerWaalsContact C-N 3.32Å; F315-I317 PolarHBondContact O-N 2.92Å; F315-T318 WeakPolarHBondContact CA-OG1 3.45Å; F315-T318 PolarHBondContact O-N 3.09Å; F315-T318 PolarHBondContact O-OG1 3.04Å; F315-E319 PolarHBondContact O-N 3.48Å |
| 316 | N | 51 | Low | 51.4 | Low | 93 Ų | 93 | 121.6 Ų | 121.6 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -70.3 | -26.3 | 174.5 | -110.8 | -24.8 | 0 | 0 | 0 | 113.4 | E312 | E312-N316 PolarHBondContact O-N 3.12Å; E312-N316 VanDerWaalsContact O-N 3.11Å |
| 317 | I | 51.5 | Low | 51.1 | Low | 111 Ų | 111 | 121.6 Ų | 121.6 | 57% | 0.569 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -77.6 | -32.6 | 174.9 | -65.5 | 168.9 | 0 | 0 | 0 | 110.6 | D313 L314 F315 I320 | D313-I317 WeakPolarHBondContact O-CD1 3.48Å; D313-I317 WeakPolarHBondContact O-CG1 3.36Å; D313-I317 PolarHBondContact O-N 3.44Å; L314-I317 PolarHBondContact O-N 3.34Å; F315-I317 VanDerWaalsContact C-N 3.32Å; F315-I317 PolarHBondContact O-N 2.92Å; I317-I320 PolarHBondContact O-N 2.97Å |
| 318 | T | 53 | Low | 50.6 | Low | 75 Ų | 75 | 126.2 Ų | 126.2 | 46% | 0.46 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -70.8 | -28.3 | 174.7 | 47.8 | 0 | 0 | 0 | 0 | 113.7 | L314 F315 I320 D321 | L314-T318 PolarHBondContact O-N 2.88Å; L314-T318 PolarHBondContact O-OG1 3.01Å; F315-T318 WeakPolarHBondContact CA-OG1 3.45Å; F315-T318 PolarHBondContact O-N 3.09Å; F315-T318 PolarHBondContact O-OG1 3.04Å; T318-I320 PolarHBondContact O-N 3.34Å; T318-D321 PolarHBondContact O-N 3.29Å |
| 319 | E | 51.1 | Low | 49.7 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 58% | 0.575 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.3 | -16.6 | 178.4 | -144.7 | 172 | -163.8 | 0 | 0 | 112.9 | F315 | F315-E319 PolarHBondContact O-N 3.48Å |
| 320 | I | 49.2 | Very low | 48.9 | Very low | 115 Ų | 115 | 129.3 Ų | 129.3 | 59% | 0.59 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -79.2 | -26.5 | 174.6 | -64.1 | 170.8 | 0 | 0 | 0 | 111.6 | I317 T318 | I317-I320 PolarHBondContact O-N 2.97Å; T318-I320 PolarHBondContact O-N 3.34Å |
| 321 | D | 48.9 | Very low | 48.1 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 64% | 0.642 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74.9 | -27.7 | 175.6 | -85.4 | -24.8 | 0 | 0 | 0 | 112.4 | T318 C323 F324 | T318-D321 PolarHBondContact O-N 3.29Å; D321-C323 VanDerWaalsContact C-N 3.35Å; D321-C323 PolarHBondContact O-N 2.74Å; D321-F324 PolarHBondContact O-N 3.09Å |
| 322 | D | 50.2 | Low | 47.1 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 66% | 0.658 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -74.9 | -23 | 177.1 | -82.2 | -22.2 | 0 | 0 | 0 | 113.3 | F324 T325 | D322-F324 PolarHBondContact O-N 3.37Å; D322-T325 PolarHBondContact O-N 2.99Å |
| 323 | C | 42 | Very low | 46.6 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -14 | 175.1 | -103.8 | 0 | 0 | 0 | 0 | 114.3 | D321 | D321-C323 VanDerWaalsContact C-N 3.35Å; D321-C323 PolarHBondContact O-N 2.74Å |
| 324 | F | 43.7 | Very low | 46.1 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 79% | 0.794 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -2.8 | 178.9 | -102.9 | -83.5 | 0 | 0 | 0 | 114.7 | D321 D322 | D321-F324 PolarHBondContact O-N 3.09Å; D322-F324 PolarHBondContact O-N 3.37Å |
| 325 | T | 49.4 | Very low | 45.8 | Very low | 109 Ų | 109 | 141 Ų | 141 | 67% | 0.669 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -97.7 | -6.2 | -171.8 | -40.6 | 0 | 0 | 0 | 0 | 114 | D322 S327 | D322-T325 PolarHBondContact O-N 2.99Å; T325-S327 PolarHBondContact O-N 2.93Å |
| 326 | D | 42 | Very low | 45.3 | Very low | 165 Ų | 165 | 140.6 Ų | 140.6 | 88% | 0.882 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 16.7 | -172.8 | -110.2 | -8.6 | 0 | 0 | 0 | 116.2 | ||
| 327 | S | 44 | Very low | 44.9 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.5 | 15.3 | -176.8 | 84.2 | 0 | 0 | 0 | 0 | 115.8 | T325 | T325-S327 PolarHBondContact O-N 2.93Š|
| 328 | K | 41.5 | Very low | 44.5 | Very low | 196 Ų | 196 | 145.8 Ų | 145.8 | 85% | 0.852 | 74% | 0.739 | S | S | * | * | trans | -139 | 56.9 | 175.4 | -73.7 | -168.7 | 178.4 | 177.3 | 0 | 114 | ||||
| 329 | E | 38.7 | Very low | 43.9 | Very low | 193 Ų | 193 | 150.9 Ų | 150.9 | 90% | 0.902 | 76% | 0.759 | S | S | * | * | trans | -111.5 | 75.5 | 150.3 | -113.8 | -164.8 | 174.6 | 0 | 0 | 108.7 | ||||
| 330 | I | 40.4 | Very low | 43.3 | Very low | 149 Ų | 149 | 153 Ų | 153 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | -140.4 | 100.6 | 163 | -58.3 | -178.1 | 0 | 0 | 0 | 108 | ||||
| 331 | L | 36.7 | Very low | 42.8 | Very low | 133 Ų | 133 | 156.2 Ų | 156.2 | 70% | 0.696 | 79% | 0.789 | S | S | * | * | trans | 48.2 | 121.1 | 139 | -80.1 | 111.1 | 0 | 0 | 0 | 120 | ||||
| 332 | Y | 36.6 | Very low | 42.3 | Very low | 293 Ų | 293 | 159.5 Ų | 159.5 | 100% | 1.149 | 80% | 0.802 | S | S | * | * | trans | 91.3 | 0 | 157.7 | -69.1 | -72.4 | 0 | 0 | 0 | 119.3 |
Retrieved 332 of 332 residues in 603.4 ms
(Link to these results)