| 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 | 43 | Very low | 71.1 | Confident | 231 Ų | 231 | 129.1 Ų | 129.1 | 100% | 1.138 | 62% | 0.623 | S | S | * | * | 0 | 108.1 | 0 | -120.1 | 170.7 | 173.6 | 0 | 0 | 108.4 | L3 | M1-L3 PolarHBondContact O-N 2.97Š| |||
| 2 | K | 52.5 | Low | 72.2 | Confident | 219 Ų | 219 | 126.2 Ų | 126.2 | 95% | 0.952 | 61% | 0.611 | S | S | * | * | trans | -74.4 | 92.2 | 171.4 | -79.2 | -176.9 | 177.7 | 177.5 | 0 | 107.3 | ||||
| 3 | L | 56.8 | Low | 73.1 | Confident | 89 Ų | 89 | 122.1 Ų | 122.1 | 47% | 0.466 | 60% | 0.599 | S | S | . | * | trans | -59.3 | 134.8 | 171.3 | -84.1 | 128.6 | 0 | 0 | 0 | 108.6 | M1 Y7 | M1-L3 PolarHBondContact O-N 2.97Å; L3-Y7 HydrophobicContact CD2-CG 4.14Å | ||
| 4 | P | 70.6 | Confident | 73.9 | Confident | 81 Ų | 81 | 119.1 Ų | 119.1 | 53% | 0.526 | 59% | 0.585 | S | S | . | * | trans | -52.7 | 149.3 | 176 | -20.7 | 27.3 | 0 | 0 | 0 | 111.1 | M6 Y7 R8 | P4-M6 PolarHBondContact O-N 3.01Å; P4-Y7 HydrophobicContact CB-CD2 3.94Å; P4-Y7 HydrophobicContact CG-CD2 3.76Å; P4-Y7 HydrophobicContact CG-CE2 4.19Å; P4-Y7 WeakPolarHBondContact O-CA 2.89Å; P4-Y7 PolarHBondContact O-N 3.06Å; P4-R8 PolarHBondContact O-N 2.8Å | ||
| 5 | G | 73.9 | Confident | 74.5 | Confident | 44 Ų | 44 | 116.5 Ų | 116.5 | 45% | 0.454 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -50.7 | -34.2 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R8 N9 | G5-R8 PolarHBondContact O-N 3.23Å; G5-N9 VanDerWaalsContact O-CG 3.32Å; G5-N9 PolarHBondContact O-N 3.25Å; G5-N9 PolarHBondContact O-OD1 3.27Å |
| 6 | M | 76.2 | Confident | 75.2 | Confident | 136 Ų | 136 | 113.9 Ų | 113.9 | 67% | 0.67 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.7 | -46.5 | 174.5 | -172 | 179.4 | 74.3 | 0 | 0 | 112.8 | P4 R8 N9 L10 | P4-M6 PolarHBondContact O-N 3.01Å; M6-R8 VanDerWaalsContact C-N 3.34Å; M6-N9 PolarHBondContact O-N 3.49Å; M6-L10 WeakPolarHBondContact O-CB 3.49Å; M6-L10 PolarHBondContact O-N 2.92Å |
| 7 | Y | 79.4 | Confident | 76 | Confident | 123 Ų | 123 | 113.9 Ų | 113.9 | 48% | 0.482 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.7 | -35.4 | 177.2 | -68.5 | -78.9 | 0 | 0 | 0 | 111.7 | L3 P4 L10 W11 | L3-Y7 HydrophobicContact CD2-CG 4.14Å; P4-Y7 HydrophobicContact CB-CD2 3.94Å; P4-Y7 HydrophobicContact CG-CD2 3.76Å; P4-Y7 HydrophobicContact CG-CE2 4.19Å; P4-Y7 WeakPolarHBondContact O-CA 2.89Å; P4-Y7 PolarHBondContact O-N 3.06Å; Y7-L10 PolarHBondContact O-N 3.36Å; Y7-W11 WeakPolarHBondContact O-CB 3.22Å; Y7-W11 PolarHBondContact O-N 3.3Å |
| 8 | R | 79.2 | Confident | 76.6 | Confident | 154 Ų | 154 | 116.9 Ų | 116.9 | 58% | 0.581 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.5 | -46.9 | 174.5 | -171.8 | -178.7 | 70.1 | -176.6 | 1.4 | 111.3 | P4 G5 M6 W11 I12 | P4-R8 PolarHBondContact O-N 2.8Å; G5-R8 PolarHBondContact O-N 3.23Å; M6-R8 VanDerWaalsContact C-N 3.34Å; R8-W11 PolarHBondContact O-N 2.94Å; R8-I12 HydrophobicContact CG-CD1 3.98Å; R8-I12 VanDerWaalsContact O-CG1 3.25Å; R8-I12 WeakPolarHBondContact O-CG1 3.46Å; R8-I12 PolarHBondContact O-N 2.96Å |
| 9 | N | 83.7 | Confident | 77 | Confident | 91 Ų | 91 | 113.3 Ų | 113.3 | 49% | 0.487 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.5 | -43.5 | 178.5 | -69.7 | -5.2 | 0 | 0 | 0 | 111.3 | G5 M6 W11 I12 T13 | G5-N9 VanDerWaalsContact O-CG 3.32Å; G5-N9 PolarHBondContact O-N 3.25Å; G5-N9 PolarHBondContact O-OD1 3.27Å; M6-N9 PolarHBondContact O-N 3.49Å; N9-W11 VanDerWaalsContact C-N 3.33Å; N9-W11 PolarHBondContact O-N 3.08Å; N9-I12 PolarHBondContact O-N 3.1Å; N9-T13 PolarHBondContact O-N 3.47Å; N9-T13 PolarHBondContact O-OG1 3.04Å |
| 10 | L | 84.1 | Confident | 77.6 | Confident | 99 Ų | 99 | 111.3 Ų | 111.3 | 52% | 0.518 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.4 | -43.3 | 174.8 | -176.5 | 64.7 | 0 | 0 | 0 | 111.8 | M6 Y7 T13 I14 | M6-L10 WeakPolarHBondContact O-CB 3.49Å; M6-L10 PolarHBondContact O-N 2.92Å; Y7-L10 PolarHBondContact O-N 3.36Å; L10-T13 PolarHBondContact O-N 3.15Å; L10-I14 HydrophobicContact CD1-CD1 4.4Å; L10-I14 HydrophobicContact CG-CD1 4.02Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.41Å; L10-I14 PolarHBondContact O-N 3.34Å |
| 11 | W | 82.4 | Confident | 78.1 | Confident | 153 Ų | 153 | 108.7 Ų | 108.7 | 58% | 0.58 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.7 | -39.8 | 178.7 | -137.5 | 81 | 0 | 0 | 0 | 112.3 | Y7 R8 N9 I14 L15 | Y7-W11 WeakPolarHBondContact O-CB 3.22Å; Y7-W11 PolarHBondContact O-N 3.3Å; R8-W11 PolarHBondContact O-N 2.94Å; N9-W11 VanDerWaalsContact C-N 3.33Å; N9-W11 PolarHBondContact O-N 3.08Å; W11-I14 PolarHBondContact O-N 3.11Å; W11-L15 HydrophobicContact CD2-CD1 4.48Å; W11-L15 HydrophobicContact CE3-CD1 3.35Å; W11-L15 HydrophobicContact CE3-CD2 4.41Å; W11-L15 HydrophobicContact CE3-CG 3.79Å; W11-L15 HydrophobicContact CH2-CD2 4.44Å; W11-L15 HydrophobicContact CZ3-CD1 3.45Å; W11-L15 VanDerWaalsContact CZ3-CD1 3.45Å; W11-L15 HydrophobicContact CZ3-CD2 3.95Å; W11-L15 HydrophobicContact CZ3-CG 3.83Å; W11-L15 WeakPolarHBondContact O-CB 3.41Å; W11-L15 WeakPolarHBondContact O-CG 3.14Å; W11-L15 PolarHBondContact O-N 3.44Å |
| 12 | I | 84.9 | Confident | 80.3 | Confident | 94 Ų | 94 | 101.1 Ų | 101.1 | 48% | 0.482 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 173.7 | -67.7 | 164.6 | 0 | 0 | 0 | 110.5 | R8 N9 L15 A16 | R8-I12 HydrophobicContact CG-CD1 3.98Å; R8-I12 VanDerWaalsContact O-CG1 3.25Å; R8-I12 WeakPolarHBondContact O-CG1 3.46Å; R8-I12 PolarHBondContact O-N 2.96Å; N9-I12 PolarHBondContact O-N 3.1Å; I12-L15 PolarHBondContact O-N 2.92Å; I12-A16 WeakPolarHBondContact O-CB 3.33Å; I12-A16 PolarHBondContact O-N 2.74Å |
| 13 | T | 84 | Confident | 82.1 | Confident | 73 Ų | 73 | 92 Ų | 92 | 45% | 0.448 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 175.5 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | N9 L10 L15 A16 F17 | N9-T13 PolarHBondContact O-N 3.47Å; N9-T13 PolarHBondContact O-OG1 3.04Å; L10-T13 PolarHBondContact O-N 3.15Å; T13-L15 VanDerWaalsContact C-N 3.32Å; T13-L15 PolarHBondContact O-N 3.21Å; T13-A16 PolarHBondContact O-N 3.05Å; T13-F17 HydrophobicContact CG2-CD2 3.75Å; T13-F17 HydrophobicContact CG2-CE2 4.07Å; T13-F17 WeakPolarHBondContact O-CD2 3.39Å; T13-F17 PolarHBondContact O-N 3.16Å |
| 14 | I | 83.9 | Confident | 83.7 | Confident | 80 Ų | 80 | 94.9 Ų | 94.9 | 41% | 0.41 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 176.8 | -69.1 | 166.7 | 0 | 0 | 0 | 110.7 | L10 W11 F17 R18 I21 | L10-I14 HydrophobicContact CD1-CD1 4.4Å; L10-I14 HydrophobicContact CG-CD1 4.02Å; L10-I14 VanDerWaalsContact O-CG1 3.3Å; L10-I14 WeakPolarHBondContact O-CG1 3.41Å; L10-I14 PolarHBondContact O-N 3.34Å; W11-I14 PolarHBondContact O-N 3.11Å; I14-F17 CarbonylContact O-C 3.33Å; I14-F17 PolarHBondContact O-N 2.91Å; I14-R18 WeakPolarHBondContact O-CA 3.49Å; I14-R18 WeakPolarHBondContact O-CB 3.44Å; I14-R18 PolarHBondContact O-N 3.11Å; I14-I21 HydrophobicContact CB-CD1 4.43Å; I14-I21 HydrophobicContact CG1-CD1 4.44Å; I14-I21 HydrophobicContact CG2-CD1 4.28Å |
| 15 | L | 83.5 | Confident | 84.7 | Confident | 80 Ų | 80 | 96.4 Ų | 96.4 | 42% | 0.419 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 175.1 | -79.1 | 168.6 | 0 | 0 | 0 | 112.5 | W11 I12 T13 R18 | W11-L15 HydrophobicContact CD2-CD1 4.48Å; W11-L15 HydrophobicContact CE3-CD1 3.35Å; W11-L15 HydrophobicContact CE3-CD2 4.41Å; W11-L15 HydrophobicContact CE3-CG 3.79Å; W11-L15 HydrophobicContact CH2-CD2 4.44Å; W11-L15 HydrophobicContact CZ3-CD1 3.45Å; W11-L15 VanDerWaalsContact CZ3-CD1 3.45Å; W11-L15 HydrophobicContact CZ3-CD2 3.95Å; W11-L15 HydrophobicContact CZ3-CG 3.83Å; W11-L15 WeakPolarHBondContact O-CB 3.41Å; W11-L15 WeakPolarHBondContact O-CG 3.14Å; W11-L15 PolarHBondContact O-N 3.44Å; I12-L15 PolarHBondContact O-N 2.92Å; T13-L15 VanDerWaalsContact C-N 3.32Å; T13-L15 PolarHBondContact O-N 3.21Å; L15-R18 WeakPolarHBondContact O-CD 3.5Å; L15-R18 VanDerWaalsContact O-CG 3.28Å; L15-R18 WeakPolarHBondContact O-CG 3.27Å; L15-R18 PolarHBondContact O-N 3.27Å |
| 16 | A | 85.5 | Confident | 85.7 | Confident | 76 Ų | 76 | 96.7 Ų | 96.7 | 63% | 0.628 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.6 | -39.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I12 T13 | I12-A16 WeakPolarHBondContact O-CB 3.33Å; I12-A16 PolarHBondContact O-N 2.74Å; T13-A16 PolarHBondContact O-N 3.05Å |
| 17 | F | 88.1 | Confident | 86.5 | Confident | 113 Ų | 113 | 91 Ų | 91 | 50% | 0.496 | 44% | 0.444 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 9.4 | 179.6 | -70.4 | -80.1 | 0 | 0 | 0 | 113.6 | T13 I14 S19 V20 I21 | T13-F17 HydrophobicContact CG2-CD2 3.75Å; T13-F17 HydrophobicContact CG2-CE2 4.07Å; T13-F17 WeakPolarHBondContact O-CD2 3.39Å; T13-F17 PolarHBondContact O-N 3.16Å; I14-F17 CarbonylContact O-C 3.33Å; I14-F17 PolarHBondContact O-N 2.91Å; F17-S19 PolarHBondContact O-N 3.16Å; F17-V20 HydrophobicContact CD1-CB 4.44Å; F17-V20 HydrophobicContact CD1-CG2 4.31Å; F17-V20 WeakPolarHBondContact O-CA 3.31Å; F17-V20 WeakPolarHBondContact O-CB 3.36Å; F17-V20 PolarHBondContact O-N 3.46Å; F17-I21 HydrophobicContact CB-CD1 3.85Å; F17-I21 HydrophobicContact CB-CG1 4.03Å; F17-I21 WeakPolarHBondContact O-CB 3.46Å; F17-I21 WeakPolarHBondContact O-CG1 3.32Å; F17-I21 PolarHBondContact O-N 2.9Å |
| 18 | R | 86.9 | Confident | 87.1 | Confident | 168 Ų | 168 | 88 Ų | 88 | 63% | 0.634 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -51.5 | -38.9 | -172 | 69.9 | -174.4 | -178.7 | 162.5 | 0.3 | 113.1 | I14 L15 F22 | I14-R18 WeakPolarHBondContact O-CA 3.49Å; I14-R18 WeakPolarHBondContact O-CB 3.44Å; I14-R18 PolarHBondContact O-N 3.11Å; L15-R18 WeakPolarHBondContact O-CD 3.5Å; L15-R18 VanDerWaalsContact O-CG 3.28Å; L15-R18 WeakPolarHBondContact O-CG 3.27Å; L15-R18 PolarHBondContact O-N 3.27Å; R18-F22 VanDerWaalsContact O-CB 3.25Å; R18-F22 WeakPolarHBondContact O-CB 3.41Å; R18-F22 PolarHBondContact O-N 3.24Å |
| 19 | S | 84.8 | Confident | 87.8 | Confident | 49 Ų | 49 | 86.1 Ų | 86.1 | 34% | 0.343 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -67.6 | -45.5 | 179.1 | -62.5 | 0 | 0 | 0 | 0 | 112.2 | F17 F22 C23 | F17-S19 PolarHBondContact O-N 3.16Å; S19-F22 PolarHBondContact O-N 2.9Å; S19-C23 PolarHBondContact O-N 3.02Å; S19-C23 PolarHBondContact O-SG 3.16Å |
| 20 | V | 88.4 | Confident | 88.3 | Confident | 72 Ų | 72 | 83 Ų | 83 | 44% | 0.436 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.5 | -47.7 | 177.6 | -178.3 | 0 | 0 | 0 | 0 | 110.1 | F17 F22 C23 F24 | F17-V20 HydrophobicContact CD1-CB 4.44Å; F17-V20 HydrophobicContact CD1-CG2 4.31Å; F17-V20 WeakPolarHBondContact O-CA 3.31Å; F17-V20 WeakPolarHBondContact O-CB 3.36Å; F17-V20 PolarHBondContact O-N 3.46Å; V20-F22 VanDerWaalsContact C-N 3.33Å; V20-F22 PolarHBondContact O-N 3.27Å; V20-C23 WeakPolarHBondContact O-CB 3.38Å; V20-C23 PolarHBondContact O-N 2.83Å; V20-F24 HydrophobicContact CG1-CD2 3.78Å; V20-F24 HydrophobicContact CG1-CE2 3.63Å; V20-F24 WeakPolarHBondContact O-CD2 3.47Å; V20-F24 PolarHBondContact O-N 2.98Å; V20-F24 VanDerWaalsContact O-N 3.13Å |
| 21 | I | 88.1 | Confident | 88.7 | Confident | 58 Ų | 58 | 81.1 Ų | 81.1 | 30% | 0.297 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -57.2 | -47.7 | 177.1 | -68.5 | 168.5 | 0 | 0 | 0 | 110.1 | I14 F17 C23 F24 L25 | I14-I21 HydrophobicContact CB-CD1 4.43Å; I14-I21 HydrophobicContact CG1-CD1 4.44Å; I14-I21 HydrophobicContact CG2-CD1 4.28Å; F17-I21 HydrophobicContact CB-CD1 3.85Å; F17-I21 HydrophobicContact CB-CG1 4.03Å; F17-I21 WeakPolarHBondContact O-CB 3.46Å; F17-I21 WeakPolarHBondContact O-CG1 3.32Å; F17-I21 PolarHBondContact O-N 2.9Å; I21-C23 PolarHBondContact O-N 3.15Å; I21-F24 PolarHBondContact O-N 3.05Å; I21-L25 HydrophobicContact CG2-CD1 3.37Å; I21-L25 HydrophobicContact CG2-CG 3.92Å; I21-L25 VanDerWaalsContact O-CB 3.24Å; I21-L25 WeakPolarHBondContact O-CB 3.46Å; I21-L25 VanDerWaalsContact O-CG 3.29Å; I21-L25 WeakPolarHBondContact O-CG 3.07Å; I21-L25 PolarHBondContact O-N 2.93Å |
| 22 | F | 89.3 | Confident | 89.1 | Confident | 72 Ų | 72 | 78 Ų | 78 | 32% | 0.316 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 177.5 | 177.5 | -87.4 | 0 | 0 | 0 | 111.7 | R18 S19 V20 F24 L25 Y26 T57 I59 | R18-F22 VanDerWaalsContact O-CB 3.25Å; R18-F22 WeakPolarHBondContact O-CB 3.41Å; R18-F22 PolarHBondContact O-N 3.24Å; S19-F22 PolarHBondContact O-N 2.9Å; V20-F22 VanDerWaalsContact C-N 3.33Å; V20-F22 PolarHBondContact O-N 3.27Å; F22-F24 VanDerWaalsContact C-N 3.34Å; F22-F24 PolarHBondContact O-N 3.34Å; F22-L25 PolarHBondContact O-N 2.64Å; F22-Y26 HydrophobicContact CE1-CD1 4.41Å; F22-Y26 HydrophobicContact CE1-CG 4.16Å; F22-Y26 HydrophobicContact CZ-CD2 4.09Å; F22-Y26 HydrophobicContact CZ-CG 4.04Å; F22-Y26 WeakPolarHBondContact O-CA 3Å; F22-Y26 WeakPolarHBondContact O-CB 3.48Å; F22-Y26 PolarHBondContact O-N 2.85Å; F22-T57 HydrophobicContact CE1-CG2 4.08Å; F22-T57 HydrophobicContact CZ-CG2 3.86Å; F22-I59 HydrophobicContact CB-CD1 3.62Å; F22-I59 HydrophobicContact CD1-CD1 3.38Å; F22-I59 HydrophobicContact CD1-CG2 4.14Å; F22-I59 HydrophobicContact CE1-CD1 4.23Å; F22-I59 HydrophobicContact CE1-CG2 4.49Å; F22-I59 HydrophobicContact CG-CD1 3.65Å |
| 23 | C | 89.7 | Confident | 89.3 | Confident | 27 Ų | 27 | 76.4 Ų | 76.4 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -54.8 | -48.8 | 177.5 | -71.5 | 0 | 0 | 0 | 0 | 112.4 | S19 V20 I21 A27 I59 | S19-C23 PolarHBondContact O-N 3.02Å; S19-C23 PolarHBondContact O-SG 3.16Å; V20-C23 WeakPolarHBondContact O-CB 3.38Å; V20-C23 PolarHBondContact O-N 2.83Å; I21-C23 PolarHBondContact O-N 3.15Å; C23-A27 VanDerWaalsContact O-CB 3.28Å; C23-A27 WeakPolarHBondContact O-CB 3.4Å; C23-A27 PolarHBondContact O-N 3.5Å; C23-I59 VanDerWaalsContact SG-CG2 3.52Å |
| 24 | F | 91.2 | Very high | 89.6 | Confident | 150 Ų | 150 | 73.8 Ų | 73.8 | 66% | 0.658 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -73.8 | -43.5 | -178.5 | -72.9 | -70.8 | 0 | 0 | 0 | 112.6 | V20 I21 F22 A28 | V20-F24 HydrophobicContact CG1-CD2 3.78Å; V20-F24 HydrophobicContact CG1-CE2 3.63Å; V20-F24 WeakPolarHBondContact O-CD2 3.47Å; V20-F24 PolarHBondContact O-N 2.98Å; V20-F24 VanDerWaalsContact O-N 3.13Å; I21-F24 PolarHBondContact O-N 3.05Å; F22-F24 VanDerWaalsContact C-N 3.34Å; F22-F24 PolarHBondContact O-N 3.34Å; F24-A28 WeakPolarHBondContact O-CB 3.33Å; F24-A28 PolarHBondContact O-N 3.05Å |
| 25 | L | 91.5 | Very high | 89.9 | Confident | 112 Ų | 112 | 75.7 Ų | 75.7 | 59% | 0.586 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -67.5 | -41 | 179.1 | -71.9 | -177.4 | 0 | 0 | 0 | 112.1 | I21 F22 A28 L29 | I21-L25 HydrophobicContact CG2-CD1 3.37Å; I21-L25 HydrophobicContact CG2-CG 3.92Å; I21-L25 VanDerWaalsContact O-CB 3.24Å; I21-L25 WeakPolarHBondContact O-CB 3.46Å; I21-L25 VanDerWaalsContact O-CG 3.29Å; I21-L25 WeakPolarHBondContact O-CG 3.07Å; I21-L25 PolarHBondContact O-N 2.93Å; F22-L25 PolarHBondContact O-N 2.64Å; L25-A28 PolarHBondContact O-N 3.35Å; L25-L29 VanDerWaalsContact O-CB 3.24Å; L25-L29 WeakPolarHBondContact O-CB 3.17Å; L25-L29 PolarHBondContact O-N 2.95Å |
| 26 | Y | 94.1 | Very high | 90.3 | Very high | 50 Ų | 50 | 79.1 Ų | 79.1 | 20% | 0.196 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 177.4 | -176.9 | -112.4 | 0 | 0 | 0 | 110.8 | F22 L29 L30 L49 L50 G53 | F22-Y26 HydrophobicContact CE1-CD1 4.41Å; F22-Y26 HydrophobicContact CE1-CG 4.16Å; F22-Y26 HydrophobicContact CZ-CD2 4.09Å; F22-Y26 HydrophobicContact CZ-CG 4.04Å; F22-Y26 WeakPolarHBondContact O-CA 3Å; F22-Y26 WeakPolarHBondContact O-CB 3.48Å; F22-Y26 PolarHBondContact O-N 2.85Å; Y26-L29 PolarHBondContact O-N 3.31Å; Y26-L30 HydrophobicContact CD1-CD1 4.01Å; Y26-L30 HydrophobicContact CD2-CD1 4.49Å; Y26-L30 HydrophobicContact CE1-CD1 3.47Å; Y26-L30 VanDerWaalsContact CE1-CD1 3.47Å; Y26-L30 HydrophobicContact CE1-CG 4.5Å; Y26-L30 HydrophobicContact CE2-CD1 4.01Å; Y26-L30 HydrophobicContact CE2-CG 4.3Å; Y26-L30 HydrophobicContact CG-CD1 4.48Å; Y26-L30 VanDerWaalsContact CZ-CD1 3.46Å; Y26-L30 WeakPolarHBondContact O-CB 3.41Å; Y26-L30 WeakPolarHBondContact O-CG 3.27Å; Y26-L30 PolarHBondContact O-N 3.33Å; Y26-L49 PolarHBondContact OH-O 3.42Å; Y26-L50 HydrophobicContact CD1-CD1 3.97Å; Y26-L50 HydrophobicContact CE1-CD1 4.25Å; Y26-G53 WeakPolarHBondContact OH-CA 3.44Å |
| 27 | A | 93.5 | Very high | 90.5 | Very high | 18 Ų | 18 | 79.3 Ų | 79.3 | 15% | 0.149 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -61.3 | -47.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | C23 L29 L30 M31 Y46 L50 | C23-A27 VanDerWaalsContact O-CB 3.28Å; C23-A27 WeakPolarHBondContact O-CB 3.4Å; C23-A27 PolarHBondContact O-N 3.5Å; A27-L29 PolarHBondContact O-N 3.25Å; A27-L30 PolarHBondContact O-N 3.32Å; A27-M31 WeakPolarHBondContact O-CG 3.36Å; A27-M31 PolarHBondContact O-N 3.46Å; A27-Y46 WeakPolarHBondContact O-CE2 3.43Å; A27-L50 HydrophobicContact CB-CD1 3.87Å |
| 28 | A | 92.3 | Very high | 90.3 | Very high | 58 Ų | 58 | 79.5 Ų | 79.5 | 48% | 0.479 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F24 L25 M31 | F24-A28 WeakPolarHBondContact O-CB 3.33Å; F24-A28 PolarHBondContact O-N 3.05Å; L25-A28 PolarHBondContact O-N 3.35Å; A28-M31 WeakPolarHBondContact O-CB 3.44Å; A28-M31 PolarHBondContact O-N 3Å |
| 29 | L | 93.9 | Very high | 90.5 | Very high | 115 Ų | 115 | 73.2 Ų | 73.2 | 60% | 0.602 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65 | -44.8 | 176.3 | -179 | 65.8 | 0 | 0 | 0 | 111.1 | L25 Y26 A27 M31 L32 | L25-L29 VanDerWaalsContact O-CB 3.24Å; L25-L29 WeakPolarHBondContact O-CB 3.17Å; L25-L29 PolarHBondContact O-N 2.95Å; Y26-L29 PolarHBondContact O-N 3.31Å; A27-L29 PolarHBondContact O-N 3.25Å; L29-M31 VanDerWaalsContact C-N 3.28Å; L29-M31 PolarHBondContact O-N 3.1Å; L29-L32 HydrophobicContact CD1-CD1 4.05Å; L29-L32 WeakPolarHBondContact O-CB 3.25Å; L29-L32 WeakPolarHBondContact O-CG 3.3Å; L29-L32 PolarHBondContact O-N 3.17Å |
| 30 | L | 93.9 | Very high | 90.9 | Very high | 26 Ų | 26 | 76 Ų | 76 | 14% | 0.136 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -67.9 | -27.2 | 177.9 | -72.3 | 179.8 | 0 | 0 | 0 | 112.8 | Y26 A27 L32 L33 P34 Y46 L49 L50 | Y26-L30 HydrophobicContact CD1-CD1 4.01Å; Y26-L30 HydrophobicContact CD2-CD1 4.49Å; Y26-L30 HydrophobicContact CE1-CD1 3.47Å; Y26-L30 VanDerWaalsContact CE1-CD1 3.47Å; Y26-L30 HydrophobicContact CE1-CG 4.5Å; Y26-L30 HydrophobicContact CE2-CD1 4.01Å; Y26-L30 HydrophobicContact CE2-CG 4.3Å; Y26-L30 HydrophobicContact CG-CD1 4.48Å; Y26-L30 VanDerWaalsContact CZ-CD1 3.46Å; Y26-L30 WeakPolarHBondContact O-CB 3.41Å; Y26-L30 WeakPolarHBondContact O-CG 3.27Å; Y26-L30 PolarHBondContact O-N 3.33Å; A27-L30 PolarHBondContact O-N 3.32Å; L30-L32 PolarHBondContact O-N 3.01Å; L30-L32 VanDerWaalsContact O-N 3.11Å; L30-L33 VanDerWaalsContact O-CB 3.31Å; L30-L33 WeakPolarHBondContact O-CB 3.38Å; L30-L33 PolarHBondContact O-N 3.02Å; L30-P34 WeakPolarHBondContact O-CD 3.46Å; L30-Y46 VanDerWaalsContact C-CD2 3.47Å; L30-Y46 HydrophobicContact CB-CD2 3.66Å; L30-Y46 HydrophobicContact CB-CE2 3.68Å; L30-Y46 WeakPolarHBondContact O-CD2 3.26Å; L30-L49 HydrophobicContact CD1-CB 3.84Å; L30-L49 HydrophobicContact CD2-CB 4.03Å; L30-L49 HydrophobicContact CD2-CD1 4.11Å; L30-L50 HydrophobicContact CD1-CB 4.19Å |
| 31 | M | 92.9 | Very high | 91.2 | Very high | 60 Ų | 60 | 74.4 Ų | 74.4 | 30% | 0.296 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -18.6 | 175.4 | -80.8 | -63.5 | -65.9 | 0 | 0 | 112.8 | A27 A28 L29 L33 P34 I35 Y46 L76 | A27-M31 WeakPolarHBondContact O-CG 3.36Å; A27-M31 PolarHBondContact O-N 3.46Å; A28-M31 WeakPolarHBondContact O-CB 3.44Å; A28-M31 PolarHBondContact O-N 3Å; L29-M31 VanDerWaalsContact C-N 3.28Å; L29-M31 PolarHBondContact O-N 3.1Å; M31-L33 PolarHBondContact O-N 3.09Å; M31-P34 VanDerWaalsContact O-CD 3.24Å; M31-P34 WeakPolarHBondContact O-CD 3.23Å; M31-P34 WeakPolarHBondContact O-CG 3.32Å; M31-P34 HydrophobicContact SD-CG 4.42Å; M31-I35 VanDerWaalsContact O-CD1 3.3Å; M31-I35 WeakPolarHBondContact O-CD1 3.33Å; M31-I35 VanDerWaalsContact O-CG1 3.24Å; M31-I35 WeakPolarHBondContact O-CG1 3.14Å; M31-Y46 HydrophobicContact CB-CE2 4.25Å; M31-Y46 HydrophobicContact CG-CD2 4.31Å; M31-Y46 HydrophobicContact CG-CE2 3.52Å; M31-Y46 HydrophobicContact SD-CD1 4.29Å; M31-Y46 HydrophobicContact SD-CD2 3.97Å; M31-Y46 HydrophobicContact SD-CE1 3.84Å; M31-Y46 HydrophobicContact SD-CE2 3.5Å; M31-Y46 VanDerWaalsContact SD-CE2 3.5Å; M31-Y46 HydrophobicContact SD-CG 4.33Å; M31-L76 HydrophobicContact CE-CD2 4.34Å; M31-L76 HydrophobicContact SD-CD2 4.44Å |
| 32 | L | 90.6 | Very high | 91.6 | Very high | 86 Ų | 86 | 72.1 Ų | 72.1 | 45% | 0.45 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.1 | -30.8 | 171.2 | -62.7 | 177.6 | 0 | 0 | 0 | 112.4 | L29 L30 I35 M36 | L29-L32 HydrophobicContact CD1-CD1 4.05Å; L29-L32 WeakPolarHBondContact O-CB 3.25Å; L29-L32 WeakPolarHBondContact O-CG 3.3Å; L29-L32 PolarHBondContact O-N 3.17Å; L30-L32 PolarHBondContact O-N 3.01Å; L30-L32 VanDerWaalsContact O-N 3.11Å; L32-I35 PolarHBondContact O-N 2.97Å; L32-M36 WeakPolarHBondContact O-CB 3.49Å; L32-M36 VanDerWaalsContact O-CG 3.28Å; L32-M36 WeakPolarHBondContact O-CG 3.35Å; L32-M36 PolarHBondContact O-N 3.23Å |
| 33 | L | 90.3 | Very high | 91.9 | Very high | 61 Ų | 61 | 71.8 Ų | 71.8 | 32% | 0.319 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.3 | -58.4 | -179.6 | 178 | 73.4 | 0 | 0 | 0 | 112.9 | L30 M31 I35 M36 V37 L49 | L30-L33 VanDerWaalsContact O-CB 3.31Å; L30-L33 WeakPolarHBondContact O-CB 3.38Å; L30-L33 PolarHBondContact O-N 3.02Å; M31-L33 PolarHBondContact O-N 3.09Å; L33-I35 PolarHBondContact O-N 3.16Å; L33-M36 PolarHBondContact O-N 2.83Å; L33-V37 PolarHBondContact O-N 3.05Å; L33-L49 HydrophobicContact CD2-CD1 4.08Å |
| 34 | P | 89.8 | Confident | 92.2 | Very high | 18 Ų | 18 | 70.5 Ų | 70.5 | 12% | 0.117 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -68.9 | -16.8 | 178.4 | 27.4 | -36.3 | 0 | 0 | 0 | 113.7 | L30 M31 K43 Y46 | L30-P34 WeakPolarHBondContact O-CD 3.46Å; M31-P34 VanDerWaalsContact O-CD 3.24Å; M31-P34 WeakPolarHBondContact O-CD 3.23Å; M31-P34 WeakPolarHBondContact O-CG 3.32Å; M31-P34 HydrophobicContact SD-CG 4.42Å; P34-K43 HydrophobicContact CB-CG 3.8Å; P34-Y46 HydrophobicContact CG-CG 4.46Å |
| 35 | I | 90.1 | Very high | 92.3 | Very high | 120 Ų | 120 | 63.8 Ų | 63.8 | 62% | 0.615 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -76.4 | -44.7 | 173.1 | -66.4 | 168.7 | 0 | 0 | 0 | 110.4 | M31 L32 L33 | M31-I35 VanDerWaalsContact O-CD1 3.3Å; M31-I35 WeakPolarHBondContact O-CD1 3.33Å; M31-I35 VanDerWaalsContact O-CG1 3.24Å; M31-I35 WeakPolarHBondContact O-CG1 3.14Å; L32-I35 PolarHBondContact O-N 2.97Å; L33-I35 PolarHBondContact O-N 3.16Å |
| 36 | M | 90.9 | Very high | 92.6 | Very high | 152 Ų | 152 | 58.6 Ų | 58.6 | 75% | 0.749 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -78.4 | -35.6 | -177.7 | -67.9 | -176.1 | 80.3 | 0 | 0 | 113.1 | L32 L33 P38 | L32-M36 WeakPolarHBondContact O-CB 3.49Å; L32-M36 VanDerWaalsContact O-CG 3.28Å; L32-M36 WeakPolarHBondContact O-CG 3.35Å; L32-M36 PolarHBondContact O-N 3.23Å; L33-M36 PolarHBondContact O-N 2.83Å; M36-P38 WeakPolarHBondContact O-CD 3.05Å |
| 37 | V | 89.5 | Confident | 92.7 | Very high | 81 Ų | 81 | 56.2 Ų | 56.2 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -112.9 | 97.8 | 179.6 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | L33 A42 | L33-V37 PolarHBondContact O-N 3.05Å; V37-A42 HydrophobicContact CB-CB 3.9Å; V37-A42 HydrophobicContact CG1-CB 4.02Å; V37-A42 WeakPolarHBondContact O-CB 3.49Å |
| 38 | P | 85 | Confident | 92.8 | Very high | 117 Ų | 117 | 56 Ų | 56 | 76% | 0.76 | 32% | 0.316 | S | S | * | . | trans | -67.3 | 138.6 | 179.2 | 27.8 | -33.6 | 0 | 0 | 0 | 110.4 | M36 | M36-P38 WeakPolarHBondContact O-CD 3.05Š| ||
| 39 | G | 91.7 | Very high | 93 | Very high | 35 Ų | 35 | 56.8 Ų | 56.8 | 36% | 0.361 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 138.9 | 161 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K43 | G39-K43 WeakPolarHBondContact O-CG 3.15Š|
| 40 | K | 92.9 | Very high | 93.1 | Very high | 107 Ų | 107 | 51.5 Ų | 51.5 | 47% | 0.465 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.2 | -38 | 175 | -65.9 | -170.4 | 176.7 | -173.2 | 0 | 113.2 | A42 K43 G44 S451 | K40-A42 PolarHBondContact O-N 2.74Å; K40-K43 WeakPolarHBondContact O-CB 3.3Å; K40-K43 PolarHBondContact O-N 2.54Å; K40-G44 PolarHBondContact O-N 3.35Å; K40-S451 CarbonylContact C-O 3.33Å; K40-S451 VanDerWaalsContact O-CB 3.23Å; K40-S451 WeakPolarHBondContact O-CB 3.35Å |
| 41 | P | 94 | Very high | 93.1 | Very high | 39 Ų | 39 | 50.2 Ų | 50.2 | 25% | 0.253 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59 | -44.4 | 180 | -27.5 | 35.2 | 0 | 0 | 0 | 113.4 | K43 G44 G45 S451 V456 | P41-K43 VanDerWaalsContact C-N 3.33Å; P41-K43 PolarHBondContact O-N 3.49Å; P41-G44 PolarHBondContact O-N 3.26Å; P41-G45 PolarHBondContact O-N 2.93Å; P41-S451 WeakPolarHBondContact CA-O 3.35Å; P41-S451 VanDerWaalsContact CD-O 3.29Å; P41-S451 WeakPolarHBondContact CD-O 3.46Å; P41-S451 WeakPolarHBondContact CG-O 3.37Å; P41-S451 VanDerWaalsContact N-O 3.08Å; P41-V456 HydrophobicContact CB-CG2 4Å; P41-V456 HydrophobicContact CG-CG2 3.96Å |
| 42 | A | 95.7 | Very high | 93.1 | Very high | 10 Ų | 10 | 48.9 Ų | 48.9 | 8% | 0.083 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.7 | -38 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V37 K40 G45 Y46 | V37-A42 HydrophobicContact CB-CB 3.9Å; V37-A42 HydrophobicContact CG1-CB 4.02Å; V37-A42 WeakPolarHBondContact O-CB 3.49Å; K40-A42 PolarHBondContact O-N 2.74Å; A42-G45 PolarHBondContact O-N 2.91Å; A42-Y46 PolarHBondContact O-N 3.47Å |
| 43 | K | 96.4 | Very high | 93.1 | Very high | 66 Ų | 66 | 45.2 Ų | 45.2 | 29% | 0.287 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 173 | -65.9 | 168.9 | 166.5 | -168.1 | 0 | 112.1 | P34 G39 K40 P41 G45 Y46 V47 L76 I78 | P34-K43 HydrophobicContact CB-CG 3.8Å; G39-K43 WeakPolarHBondContact O-CG 3.15Å; K40-K43 WeakPolarHBondContact O-CB 3.3Å; K40-K43 PolarHBondContact O-N 2.54Å; P41-K43 VanDerWaalsContact C-N 3.33Å; P41-K43 PolarHBondContact O-N 3.49Å; K43-G45 VanDerWaalsContact C-N 3.31Å; K43-Y46 WeakPolarHBondContact O-CB 3.44Å; K43-Y46 PolarHBondContact O-N 3.33Å; K43-V47 PolarHBondContact O-N 2.94Å; K43-L76 HydrophobicContact CB-CB 4.18Å; K43-L76 HydrophobicContact CB-CD1 4.29Å; K43-L76 HydrophobicContact CD-CB 4.24Å; K43-L76 VanDerWaalsContact CD-O 3.25Å; K43-L76 WeakPolarHBondContact CD-O 3.33Å; K43-L76 WeakPolarHBondContact CE-O 3.47Å; K43-L76 HydrophobicContact CG-CB 4.33Å; K43-L76 PolarHBondContact NZ-O 2.9Å; K43-I78 HydrophobicContact CB-CD1 3.87Å; K43-I78 HydrophobicContact CB-CG1 3.88Å |
| 44 | G | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.3 | -41.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K40 P41 Y46 V47 L48 | K40-G44 PolarHBondContact O-N 3.35Å; P41-G44 PolarHBondContact O-N 3.26Å; G44-Y46 VanDerWaalsContact C-N 3.32Å; G44-Y46 PolarHBondContact O-N 3.1Å; G44-V47 PolarHBondContact O-N 3.24Å; G44-L48 PolarHBondContact O-N 3.12Å |
| 45 | G | 95.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 8% | 0.082 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -38.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | P41 A42 K43 L48 L49 | P41-G45 PolarHBondContact O-N 2.93Å; A42-G45 PolarHBondContact O-N 2.91Å; K43-G45 VanDerWaalsContact C-N 3.31Å; G45-L48 PolarHBondContact O-N 2.82Å; G45-L49 WeakPolarHBondContact O-CB 3.47Å; G45-L49 VanDerWaalsContact O-CG 3.29Å; G45-L49 WeakPolarHBondContact O-CG 3.5Å; G45-L49 PolarHBondContact O-N 3.49Å |
| 46 | Y | 96.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 39 Ų | 39 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.5 | -50.7 | 171.7 | 169 | -95 | 0 | 0 | 0 | 112 | A27 L30 M31 P34 A42 K43 G44 L48 L49 L50 F72 L76 | A27-Y46 WeakPolarHBondContact O-CE2 3.43Å; L30-Y46 VanDerWaalsContact C-CD2 3.47Å; L30-Y46 HydrophobicContact CB-CD2 3.66Å; L30-Y46 HydrophobicContact CB-CE2 3.68Å; L30-Y46 WeakPolarHBondContact O-CD2 3.26Å; M31-Y46 HydrophobicContact CB-CE2 4.25Å; M31-Y46 HydrophobicContact CG-CD2 4.31Å; M31-Y46 HydrophobicContact CG-CE2 3.52Å; M31-Y46 HydrophobicContact SD-CD1 4.29Å; M31-Y46 HydrophobicContact SD-CD2 3.97Å; M31-Y46 HydrophobicContact SD-CE1 3.84Å; M31-Y46 HydrophobicContact SD-CE2 3.5Å; M31-Y46 VanDerWaalsContact SD-CE2 3.5Å; M31-Y46 HydrophobicContact SD-CG 4.33Å; P34-Y46 HydrophobicContact CG-CG 4.46Å; A42-Y46 PolarHBondContact O-N 3.47Å; K43-Y46 WeakPolarHBondContact O-CB 3.44Å; K43-Y46 PolarHBondContact O-N 3.33Å; G44-Y46 VanDerWaalsContact C-N 3.32Å; G44-Y46 PolarHBondContact O-N 3.1Å; Y46-L48 VanDerWaalsContact C-N 3.33Å; Y46-L48 PolarHBondContact O-N 3.28Å; Y46-L49 PolarHBondContact O-N 3.14Å; Y46-L50 HydrophobicContact CE1-CD2 3.91Å; Y46-L50 WeakPolarHBondContact O-CB 3.41Å; Y46-L50 PolarHBondContact O-N 3.26Å; Y46-F72 HydrophobicContact CE1-CB 4.49Å; Y46-F72 AromaticContact CE1-CD1 3.56Å; Y46-F72 HydrophobicContact CE1-CD1 3.56Å; Y46-F72 AromaticContact CE1-CE1 3.82Å; Y46-F72 HydrophobicContact CE1-CE1 3.82Å; Y46-F72 HydrophobicContact CE1-CG 4Å; Y46-F72 HydrophobicContact CE1-CZ 4.45Å; Y46-F72 WeakPolarHBondContact OH-CE1 3.35Å; Y46-L76 HydrophobicContact CD1-CD1 3.56Å; Y46-L76 HydrophobicContact CE1-CD1 4.12Å; Y46-L76 HydrophobicContact CG-CD1 4.45Å |
| 47 | V | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.8 | -43.3 | 179.9 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | K43 G44 L50 M51 I68 P69 F72 L76 I78 L444 V447 | K43-V47 PolarHBondContact O-N 2.94Å; G44-V47 PolarHBondContact O-N 3.24Å; V47-L50 PolarHBondContact O-N 3.37Å; V47-M51 HydrophobicContact CG1-CG 4.48Å; V47-M51 HydrophobicContact CG1-SD 4.11Å; V47-M51 WeakPolarHBondContact O-CB 3.49Å; V47-M51 WeakPolarHBondContact O-CG 3.32Å; V47-M51 PolarHBondContact O-N 3.47Å; V47-I68 HydrophobicContact CG1-CG2 4.48Å; V47-P69 HydrophobicContact CG1-CG 4.42Å; V47-F72 HydrophobicContact CG2-CB 3.82Å; V47-L76 HydrophobicContact CG2-CD1 3.94Å; V47-I78 HydrophobicContact CG2-CD1 4.19Å; V47-L444 HydrophobicContact CG1-CD1 4.24Å; V47-V447 HydrophobicContact CB-CG1 4.12Å; V47-V447 HydrophobicContact CG1-CG1 4.18Å; V47-V447 HydrophobicContact CG2-CG1 4.21Å |
| 48 | L | 95.5 | Very high | 93 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.3 | -51 | 176.7 | 176.6 | 63 | 0 | 0 | 0 | 112.2 | G44 G45 Y46 T52 L444 M448 L453 I457 I496 | G44-L48 PolarHBondContact O-N 3.12Å; G45-L48 PolarHBondContact O-N 2.82Å; Y46-L48 VanDerWaalsContact C-N 3.33Å; Y46-L48 PolarHBondContact O-N 3.28Å; L48-T52 VanDerWaalsContact O-CB 3.26Å; L48-T52 WeakPolarHBondContact O-CB 3.47Å; L48-T52 PolarHBondContact O-N 3.5Å; L48-T52 PolarHBondContact O-OG1 2.86Å; L48-L444 HydrophobicContact CB-CD1 4.39Å; L48-L444 HydrophobicContact CD1-CD1 4.26Å; L48-L444 HydrophobicContact CD1-CD2 4.03Å; L48-M448 HydrophobicContact CD1-CE 4.47Å; L48-M448 HydrophobicContact CD1-SD 3.9Å; L48-M448 HydrophobicContact CD2-CE 4Å; L48-M448 HydrophobicContact CD2-SD 4.37Å; L48-L453 HydrophobicContact CB-CD2 4.34Å; L48-L453 HydrophobicContact CD2-CD2 3.9Å; L48-I457 HydrophobicContact CD2-CD1 4.47Å; L48-I496 HydrophobicContact CD1-CG2 4.24Å |
| 49 | L | 95.2 | Very high | 93.2 | Very high | 73 Ų | 73 | 32.4 Ų | 32.4 | 38% | 0.382 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.4 | -37.2 | -178.7 | -70 | 173 | 0 | 0 | 0 | 112.2 | Y26 L30 L33 G45 Y46 T52 G53 | Y26-L49 PolarHBondContact OH-O 3.42Å; L30-L49 HydrophobicContact CD1-CB 3.84Å; L30-L49 HydrophobicContact CD2-CB 4.03Å; L30-L49 HydrophobicContact CD2-CD1 4.11Å; L33-L49 HydrophobicContact CD2-CD1 4.08Å; G45-L49 WeakPolarHBondContact O-CB 3.47Å; G45-L49 VanDerWaalsContact O-CG 3.29Å; G45-L49 WeakPolarHBondContact O-CG 3.5Å; G45-L49 PolarHBondContact O-N 3.49Å; Y46-L49 PolarHBondContact O-N 3.14Å; L49-T52 PolarHBondContact O-N 3.08Å; L49-G53 PolarHBondContact O-N 2.87Å |
| 50 | L | 96.2 | Very high | 93.2 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.3 | -52.4 | 176 | 178.2 | 61 | 0 | 0 | 0 | 110.4 | Y26 A27 L30 Y46 V47 T52 G53 L54 I68 F72 | Y26-L50 HydrophobicContact CD1-CD1 3.97Å; Y26-L50 HydrophobicContact CE1-CD1 4.25Å; A27-L50 HydrophobicContact CB-CD1 3.87Å; L30-L50 HydrophobicContact CD1-CB 4.19Å; Y46-L50 HydrophobicContact CE1-CD2 3.91Å; Y46-L50 WeakPolarHBondContact O-CB 3.41Å; Y46-L50 PolarHBondContact O-N 3.26Å; V47-L50 PolarHBondContact O-N 3.37Å; L50-T52 VanDerWaalsContact C-N 3.35Å; L50-T52 PolarHBondContact O-N 3.5Å; L50-G53 PolarHBondContact O-N 3.14Å; L50-L54 HydrophobicContact CD1-CD1 3.81Å; L50-L54 HydrophobicContact CD1-CG 4.35Å; L50-L54 HydrophobicContact CG-CD1 4.05Å; L50-L54 VanDerWaalsContact O-CG 3.3Å; L50-L54 WeakPolarHBondContact O-CG 2.97Å; L50-L54 PolarHBondContact O-N 3.47Å; L50-L54 VanDerWaalsContact O-N 3.13Å; L50-I68 HydrophobicContact CD2-CD1 4.41Å; L50-I68 HydrophobicContact CD2-CG2 3.79Å; L50-I68 HydrophobicContact CG-CD1 4.31Å; L50-I68 HydrophobicContact CG-CG2 4.38Å; L50-F72 HydrophobicContact CD2-CD2 4.07Å; L50-F72 HydrophobicContact CD2-CE2 3.82Å; L50-F72 HydrophobicContact CD2-CZ 4.25Å |
| 51 | M | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -42.2 | 177.4 | -71 | -176.8 | 79.5 | 0 | 0 | 111.9 | V47 G53 L54 W55 T65 I68 P69 L444 | V47-M51 HydrophobicContact CG1-CG 4.48Å; V47-M51 HydrophobicContact CG1-SD 4.11Å; V47-M51 WeakPolarHBondContact O-CB 3.49Å; V47-M51 WeakPolarHBondContact O-CG 3.32Å; V47-M51 PolarHBondContact O-N 3.47Å; M51-G53 PolarHBondContact O-N 3.28Å; M51-L54 PolarHBondContact O-N 2.96Å; M51-W55 HydrophobicContact CB-CE3 4.23Å; M51-W55 HydrophobicContact CB-CZ3 4.34Å; M51-W55 HydrophobicContact CE-CH2 3.3Å; M51-W55 HydrophobicContact CE-CZ2 3.43Å; M51-W55 VanDerWaalsContact CE-CZ2 3.43Å; M51-W55 HydrophobicContact CE-CZ3 3.9Å; M51-W55 WeakPolarHBondContact O-CB 3.24Å; M51-W55 PolarHBondContact O-N 3Å; M51-T65 HydrophobicContact CB-CG2 4.32Å; M51-T65 HydrophobicContact CG-CG2 4.41Å; M51-I68 HydrophobicContact CG-CB 4.01Å; M51-I68 HydrophobicContact CG-CD1 4.35Å; M51-I68 HydrophobicContact CG-CG2 3.91Å; M51-P69 HydrophobicContact CE-CG 3.76Å; M51-P69 VanDerWaalsContact SD-CD 3.53Å; M51-P69 HydrophobicContact SD-CG 3.33Å; M51-P69 WeakPolarHBondContact SD-CG 3.44Å; M51-L444 HydrophobicContact CE-CB 4.32Å; M51-L444 HydrophobicContact CE-CD2 4.44Å; M51-L444 HydrophobicContact SD-CB 3.99Å; M51-L444 HydrophobicContact SD-CD1 3.79Å; M51-L444 HydrophobicContact SD-CD2 4.04Å; M51-L444 HydrophobicContact SD-CG 4.14Å |
| 52 | T | 92.8 | Very high | 93.1 | Very high | 31 Ų | 31 | 30.7 Ų | 30.7 | 19% | 0.19 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.1 | -50.8 | 178.8 | -62 | 0 | 0 | 0 | 0 | 111.4 | L48 L49 L50 L54 W55 V56 I496 | L48-T52 VanDerWaalsContact O-CB 3.26Å; L48-T52 WeakPolarHBondContact O-CB 3.47Å; L48-T52 PolarHBondContact O-N 3.5Å; L48-T52 PolarHBondContact O-OG1 2.86Å; L49-T52 PolarHBondContact O-N 3.08Å; L50-T52 VanDerWaalsContact C-N 3.35Å; L50-T52 PolarHBondContact O-N 3.5Å; T52-L54 PolarHBondContact O-N 3.3Å; T52-W55 PolarHBondContact O-N 2.93Å; T52-V56 HydrophobicContact CG2-CG2 4.35Å; T52-V56 WeakPolarHBondContact O-CB 3.44Å; T52-V56 VanDerWaalsContact O-CG2 3.22Å; T52-V56 WeakPolarHBondContact O-CG2 3.48Å; T52-V56 PolarHBondContact O-N 3.23Å; T52-I496 HydrophobicContact CG2-CD1 3.93Å |
| 53 | G | 91.4 | Very high | 93 | Very high | 9 Ų | 9 | 35.3 Ų | 35.3 | 9% | 0.093 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y26 L49 L50 M51 T57 | Y26-G53 WeakPolarHBondContact OH-CA 3.44Å; L49-G53 PolarHBondContact O-N 2.87Å; L50-G53 PolarHBondContact O-N 3.14Å; M51-G53 PolarHBondContact O-N 3.28Å; G53-T57 WeakPolarHBondContact O-CB 3.23Å; G53-T57 VanDerWaalsContact O-CG2 3.27Å; G53-T57 WeakPolarHBondContact O-CG2 3.39Å; G53-T57 PolarHBondContact O-N 2.87Å; G53-T57 PolarHBondContact O-OG1 3.18Å |
| 54 | L | 92.8 | Very high | 92.9 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -72.3 | -32.3 | 179.6 | -68.1 | 173 | 0 | 0 | 0 | 113.2 | L50 M51 T52 E58 I59 I60 T65 I68 | L50-L54 HydrophobicContact CD1-CD1 3.81Å; L50-L54 HydrophobicContact CD1-CG 4.35Å; L50-L54 HydrophobicContact CG-CD1 4.05Å; L50-L54 VanDerWaalsContact O-CG 3.3Å; L50-L54 WeakPolarHBondContact O-CG 2.97Å; L50-L54 PolarHBondContact O-N 3.47Å; L50-L54 VanDerWaalsContact O-N 3.13Å; M51-L54 PolarHBondContact O-N 2.96Å; T52-L54 PolarHBondContact O-N 3.3Å; L54-E58 WeakPolarHBondContact O-CA 3.32Å; L54-E58 PolarHBondContact O-N 3.46Å; L54-E58 VanDerWaalsContact O-N 3.09Å; L54-I59 HydrophobicContact CD2-CG2 3.63Å; L54-I60 HydrophobicContact CD1-CD1 4.2Å; L54-T65 HydrophobicContact CB-CG2 3.6Å; L54-T65 HydrophobicContact CD1-CG2 4.41Å; L54-I68 HydrophobicContact CD1-CD1 3.29Å |
| 55 | W | 91.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -75.8 | -35.4 | 173.7 | -82.1 | -30.1 | 0 | 0 | 0 | 113.3 | M51 T52 E58 I62 T65 A66 L444 A492 I496 | M51-W55 HydrophobicContact CB-CE3 4.23Å; M51-W55 HydrophobicContact CB-CZ3 4.34Å; M51-W55 HydrophobicContact CE-CH2 3.3Å; M51-W55 HydrophobicContact CE-CZ2 3.43Å; M51-W55 VanDerWaalsContact CE-CZ2 3.43Å; M51-W55 HydrophobicContact CE-CZ3 3.9Å; M51-W55 WeakPolarHBondContact O-CB 3.24Å; M51-W55 PolarHBondContact O-N 3Å; T52-W55 PolarHBondContact O-N 2.93Å; W55-E58 VanDerWaalsContact O-CG 3.31Å; W55-E58 WeakPolarHBondContact O-CG 3.2Å; W55-I62 PolarHBondContact NE1-O 2.76Å; W55-T65 VanDerWaalsContact CD1-CG2 3.48Å; W55-T65 HydrophobicContact CD2-CG2 4.08Å; W55-T65 HydrophobicContact CG-CG2 3.83Å; W55-A66 HydrophobicContact CZ2-CB 4.35Å; W55-L444 HydrophobicContact CH2-CD2 4.28Å; W55-L444 HydrophobicContact CZ3-CD2 3.89Å; W55-A492 HydrophobicContact CB-CB 3.57Å; W55-A492 HydrophobicContact CD2-CB 3.52Å; W55-A492 HydrophobicContact CE3-CB 3.76Å; W55-A492 HydrophobicContact CG-CB 3.48Å; W55-A492 VanDerWaalsContact CG-CB 3.48Å; W55-I496 HydrophobicContact CE3-CD1 3.87Å; W55-I496 HydrophobicContact CE3-CG1 3.9Å; W55-I496 HydrophobicContact CZ3-CD1 4.4Å; W55-I496 HydrophobicContact CZ3-CG1 3.91Å |
| 56 | V | 87.5 | Confident | 92.9 | Very high | 62 Ų | 62 | 34.8 Ų | 34.8 | 38% | 0.376 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -72.1 | -37.5 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | T52 A488 | T52-V56 HydrophobicContact CG2-CG2 4.35Å; T52-V56 WeakPolarHBondContact O-CB 3.44Å; T52-V56 VanDerWaalsContact O-CG2 3.22Å; T52-V56 WeakPolarHBondContact O-CG2 3.48Å; T52-V56 PolarHBondContact O-N 3.23Å; V56-A488 HydrophobicContact CG2-CB 4.14Å |
| 57 | T | 88.5 | Confident | 92.9 | Very high | 65 Ų | 65 | 37.7 Ų | 37.7 | 40% | 0.399 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -84.3 | -16.2 | -179.8 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | F22 G53 I59 | F22-T57 HydrophobicContact CE1-CG2 4.08Å; F22-T57 HydrophobicContact CZ-CG2 3.86Å; G53-T57 WeakPolarHBondContact O-CB 3.23Å; G53-T57 VanDerWaalsContact O-CG2 3.27Å; G53-T57 WeakPolarHBondContact O-CG2 3.39Å; G53-T57 PolarHBondContact O-N 2.87Å; G53-T57 PolarHBondContact O-OG1 3.18Å; T57-I59 PolarHBondContact O-N 2.82Å |
| 58 | E | 87.6 | Confident | 92.9 | Very high | 102 Ų | 102 | 38.7 Ų | 38.7 | 48% | 0.477 | 21% | 0.207 | S | C | . | . | trans | 46.2 | 29.9 | -175 | -59.5 | -165.8 | 173.7 | 0 | 0 | 113.9 | L54 W55 I60 I62 | L54-E58 WeakPolarHBondContact O-CA 3.32Å; L54-E58 PolarHBondContact O-N 3.46Å; L54-E58 VanDerWaalsContact O-N 3.09Å; W55-E58 VanDerWaalsContact O-CG 3.31Å; W55-E58 WeakPolarHBondContact O-CG 3.2Å; E58-I60 CarbonylContact C-O 3.59Å; E58-I60 PolarHBondContact O-N 3.02Å; E58-I62 HydrophobicContact CG-CG2 4.06Å | ||
| 59 | I | 89.7 | Confident | 93 | Very high | 45 Ų | 45 | 38 Ų | 38 | 23% | 0.231 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -71.7 | -25.8 | -170.9 | -152.4 | 165.3 | 0 | 0 | 0 | 112.7 | F22 C23 L54 T57 | F22-I59 HydrophobicContact CB-CD1 3.62Å; F22-I59 HydrophobicContact CD1-CD1 3.38Å; F22-I59 HydrophobicContact CD1-CG2 4.14Å; F22-I59 HydrophobicContact CE1-CD1 4.23Å; F22-I59 HydrophobicContact CE1-CG2 4.49Å; F22-I59 HydrophobicContact CG-CD1 3.65Å; C23-I59 VanDerWaalsContact SG-CG2 3.52Å; L54-I59 HydrophobicContact CD2-CG2 3.63Å; T57-I59 PolarHBondContact O-N 2.82Å |
| 60 | I | 91.4 | Very high | 93.1 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 24% | 0.236 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -120.9 | 156.1 | 163.1 | 62.4 | 175.8 | 0 | 0 | 0 | 107.4 | L54 E58 I62 V64 T65 | L54-I60 HydrophobicContact CD1-CD1 4.2Å; E58-I60 CarbonylContact C-O 3.59Å; E58-I60 PolarHBondContact O-N 3.02Å; I60-I62 PolarHBondContact O-N 3.48Å; I60-V64 HydrophobicContact CD1-CB 4.46Å; I60-V64 HydrophobicContact CD1-CG1 4.14Å; I60-T65 WeakPolarHBondContact CD1-OG1 3.45Å; I60-T65 VanDerWaalsContact CG1-OG1 3.27Å; I60-T65 WeakPolarHBondContact CG1-OG1 3.31Å |
| 61 | P | 92.1 | Very high | 93.1 | Very high | 59 Ų | 59 | 41 Ų | 41 | 38% | 0.383 | 22% | 0.223 | S | C | . | . | trans | -57.2 | 138.3 | -178 | -22.4 | 31.5 | 0 | 0 | 0 | 112 | Y63 V64 T65 | P61-Y63 HydrophobicContact CB-CD1 4.13Å; P61-Y63 HydrophobicContact CB-CD2 4.01Å; P61-Y63 HydrophobicContact CB-CE1 3.62Å; P61-Y63 HydrophobicContact CB-CE2 3.47Å; P61-Y63 VanDerWaalsContact CB-CE2 3.47Å; P61-Y63 HydrophobicContact CB-CG 4.31Å; P61-Y63 HydrophobicContact CG-CE2 4.13Å; P61-Y63 PolarHBondContact O-N 3.09Å; P61-V64 HydrophobicContact CB-CG2 4.09Å; P61-V64 HydrophobicContact CG-CG2 4.15Å; P61-V64 WeakPolarHBondContact O-CA 3.46Å; P61-V64 WeakPolarHBondContact O-CB 3.29Å; P61-V64 PolarHBondContact O-N 2.93Å; P61-T65 PolarHBondContact O-N 3.17Å; P61-T65 VanDerWaalsContact O-N 3.15Å | ||
| 62 | I | 91.7 | Very high | 93.2 | Very high | 41 Ų | 41 | 43.3 Ų | 43.3 | 21% | 0.21 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.7 | -28.8 | -174 | 60.1 | 171.2 | 0 | 0 | 0 | 113.9 | W55 E58 I60 A66 V437 | W55-I62 PolarHBondContact NE1-O 2.76Å; E58-I62 HydrophobicContact CG-CG2 4.06Å; I60-I62 PolarHBondContact O-N 3.48Å; I62-A66 WeakPolarHBondContact O-CB 3.49Å; I62-A66 PolarHBondContact O-N 2.97Å; I62-V437 HydrophobicContact CB-CG2 4.4Å; I62-V437 HydrophobicContact CD1-CG2 4.1Å; I62-V437 HydrophobicContact CG1-CG2 3.93Å |
| 63 | Y | 93.7 | Very high | 93.4 | Very high | 106 Ų | 106 | 41.8 Ų | 41.8 | 42% | 0.416 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -79 | -20.2 | 176.4 | 47.5 | -98.8 | 0 | 0 | 0 | 113.7 | P61 A66 | P61-Y63 HydrophobicContact CB-CD1 4.13Å; P61-Y63 HydrophobicContact CB-CD2 4.01Å; P61-Y63 HydrophobicContact CB-CE1 3.62Å; P61-Y63 HydrophobicContact CB-CE2 3.47Å; P61-Y63 VanDerWaalsContact CB-CE2 3.47Å; P61-Y63 HydrophobicContact CB-CG 4.31Å; P61-Y63 HydrophobicContact CG-CE2 4.13Å; P61-Y63 PolarHBondContact O-N 3.09Å; Y63-A66 WeakPolarHBondContact O-CB 3.3Å |
| 64 | V | 95.1 | Very high | 93.7 | Very high | 63 Ų | 63 | 43.3 Ų | 43.3 | 38% | 0.382 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -78.1 | -44.9 | 169.1 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | I60 P61 A66 L67 | I60-V64 HydrophobicContact CD1-CB 4.46Å; I60-V64 HydrophobicContact CD1-CG1 4.14Å; P61-V64 HydrophobicContact CB-CG2 4.09Å; P61-V64 HydrophobicContact CG-CG2 4.15Å; P61-V64 WeakPolarHBondContact O-CA 3.46Å; P61-V64 WeakPolarHBondContact O-CB 3.29Å; P61-V64 PolarHBondContact O-N 2.93Å; V64-A66 PolarHBondContact O-N 2.94Å; V64-L67 WeakPolarHBondContact O-CB 3.49Å; V64-L67 PolarHBondContact O-N 3.39Å |
| 65 | T | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -54.7 | -37.7 | 171.6 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | M51 L54 W55 I60 P61 L67 I68 | M51-T65 HydrophobicContact CB-CG2 4.32Å; M51-T65 HydrophobicContact CG-CG2 4.41Å; L54-T65 HydrophobicContact CB-CG2 3.6Å; L54-T65 HydrophobicContact CD1-CG2 4.41Å; W55-T65 VanDerWaalsContact CD1-CG2 3.48Å; W55-T65 HydrophobicContact CD2-CG2 4.08Å; W55-T65 HydrophobicContact CG-CG2 3.83Å; I60-T65 WeakPolarHBondContact CD1-OG1 3.45Å; I60-T65 VanDerWaalsContact CG1-OG1 3.27Å; I60-T65 WeakPolarHBondContact CG1-OG1 3.31Å; P61-T65 PolarHBondContact O-N 3.17Å; P61-T65 VanDerWaalsContact O-N 3.15Å; T65-L67 PolarHBondContact O-N 2.97Å; T65-L67 VanDerWaalsContact O-N 3.11Å; T65-I68 HydrophobicContact CG2-CD1 3.9Å; T65-I68 VanDerWaalsContact O-CB 3.29Å; T65-I68 WeakPolarHBondContact O-CB 3.4Å; T65-I68 VanDerWaalsContact O-CG1 3.24Å; T65-I68 WeakPolarHBondContact O-CG1 3.27Å; T65-I68 PolarHBondContact O-N 2.92Å; T65-I68 VanDerWaalsContact O-N 3.09Å |
| 66 | A | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -26.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | W55 I62 Y63 V64 P69 Y88 L436 V437 G440 | W55-A66 HydrophobicContact CZ2-CB 4.35Å; I62-A66 WeakPolarHBondContact O-CB 3.49Å; I62-A66 PolarHBondContact O-N 2.97Å; Y63-A66 WeakPolarHBondContact O-CB 3.3Å; V64-A66 PolarHBondContact O-N 2.94Å; A66-P69 VanDerWaalsContact O-CD 3.32Å; A66-P69 WeakPolarHBondContact O-CD 3.47Å; A66-Y88 PolarHBondContact O-OH 3.3Å; A66-L436 WeakPolarHBondContact CB-O 3.34Å; A66-V437 HydrophobicContact CB-CG2 4.34Å; A66-G440 VanDerWaalsContact O-CA 3.29Å; A66-G440 WeakPolarHBondContact O-CA 3.26Å |
| 67 | L | 97.1 | Very high | 94.4 | Very high | 65 Ų | 65 | 49.2 Ų | 49.2 | 34% | 0.34 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -13.2 | -179.9 | -60.9 | 172.9 | 0 | 0 | 0 | 114.3 | V64 T65 P69 L70 Y88 L436 | V64-L67 WeakPolarHBondContact O-CB 3.49Å; V64-L67 PolarHBondContact O-N 3.39Å; T65-L67 PolarHBondContact O-N 2.97Å; T65-L67 VanDerWaalsContact O-N 3.11Å; L67-P69 VanDerWaalsContact C-CD 3.42Å; L67-L70 HydrophobicContact CD2-CD1 3.91Å; L67-L70 VanDerWaalsContact O-CB 3.31Å; L67-L70 WeakPolarHBondContact O-CB 3.44Å; L67-L70 PolarHBondContact O-N 3.09Å; L67-Y88 WeakPolarHBondContact CA-OH 3.48Å; L67-Y88 HydrophobicContact CD2-CE1 4.04Å; L67-L436 HydrophobicContact CD2-CD2 4.25Å |
| 68 | I | 96.7 | Very high | 94.8 | Very high | 21 Ų | 21 | 46.4 Ų | 46.4 | 11% | 0.108 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -52.8 | -41.5 | -176.1 | -70.7 | 177.2 | 0 | 0 | 0 | 114 | V47 L50 M51 L54 T65 L70 V71 F72 | V47-I68 HydrophobicContact CG1-CG2 4.48Å; L50-I68 HydrophobicContact CD2-CD1 4.41Å; L50-I68 HydrophobicContact CD2-CG2 3.79Å; L50-I68 HydrophobicContact CG-CD1 4.31Å; L50-I68 HydrophobicContact CG-CG2 4.38Å; M51-I68 HydrophobicContact CG-CB 4.01Å; M51-I68 HydrophobicContact CG-CD1 4.35Å; M51-I68 HydrophobicContact CG-CG2 3.91Å; L54-I68 HydrophobicContact CD1-CD1 3.29Å; T65-I68 HydrophobicContact CG2-CD1 3.9Å; T65-I68 VanDerWaalsContact O-CB 3.29Å; T65-I68 WeakPolarHBondContact O-CB 3.4Å; T65-I68 VanDerWaalsContact O-CG1 3.24Å; T65-I68 WeakPolarHBondContact O-CG1 3.27Å; T65-I68 PolarHBondContact O-N 2.92Å; T65-I68 VanDerWaalsContact O-N 3.09Å; I68-L70 PolarHBondContact O-N 2.98Å; I68-V71 PolarHBondContact O-N 3.07Å; I68-F72 HydrophobicContact CG2-CD2 3.7Å; I68-F72 HydrophobicContact CG2-CE2 4.31Å; I68-F72 PolarHBondContact O-N 3.26Å |
| 69 | P | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.7 | -31.6 | 176.8 | -29.1 | 38.3 | 0 | 0 | 0 | 114.2 | V47 M51 A66 L67 V71 G73 I84 A443 L444 V447 | V47-P69 HydrophobicContact CG1-CG 4.42Å; M51-P69 HydrophobicContact CE-CG 3.76Å; M51-P69 VanDerWaalsContact SD-CD 3.53Å; M51-P69 HydrophobicContact SD-CG 3.33Å; M51-P69 WeakPolarHBondContact SD-CG 3.44Å; A66-P69 VanDerWaalsContact O-CD 3.32Å; A66-P69 WeakPolarHBondContact O-CD 3.47Å; L67-P69 VanDerWaalsContact C-CD 3.42Å; P69-V71 PolarHBondContact O-N 2.95Å; P69-G73 WeakPolarHBondContact O-CA 3.33Å; P69-G73 PolarHBondContact O-N 2.91Å; P69-I84 HydrophobicContact CB-CG2 4.22Å; P69-A443 HydrophobicContact CB-CB 3.75Å; P69-A443 HydrophobicContact CG-CB 4.08Å; P69-L444 HydrophobicContact CG-CB 4.35Å; P69-V447 HydrophobicContact CB-CG2 4.03Å |
| 70 | L | 97 | Very high | 95.5 | Very high | 55 Ų | 55 | 43.6 Ų | 43.6 | 29% | 0.288 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.9 | -30.4 | 178.7 | -70.1 | 166.8 | 0 | 0 | 0 | 112.2 | L67 I68 P74 I84 Y88 | L67-L70 HydrophobicContact CD2-CD1 3.91Å; L67-L70 VanDerWaalsContact O-CB 3.31Å; L67-L70 WeakPolarHBondContact O-CB 3.44Å; L67-L70 PolarHBondContact O-N 3.09Å; I68-L70 PolarHBondContact O-N 2.98Å; L70-P74 VanDerWaalsContact O-CD 3.27Å; L70-P74 WeakPolarHBondContact O-CD 3.33Å; L70-P74 WeakPolarHBondContact O-CG 3.31Å; L70-I84 HydrophobicContact CD2-CG2 4.17Å; L70-Y88 HydrophobicContact CD1-CD2 4.2Å; L70-Y88 HydrophobicContact CD1-CE1 4.42Å; L70-Y88 HydrophobicContact CD1-CE2 3.58Å; L70-Y88 HydrophobicContact CD2-CD2 4.1Å; L70-Y88 HydrophobicContact CD2-CE2 3.59Å; L70-Y88 HydrophobicContact CG-CD2 4.33Å; L70-Y88 HydrophobicContact CG-CE2 3.46Å; L70-Y88 VanDerWaalsContact CG-CE2 3.46Å |
| 71 | V | 97.2 | Very high | 95.7 | Very high | 86 Ų | 86 | 43.9 Ų | 43.9 | 52% | 0.521 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -88.7 | -57.2 | -179.5 | 179.9 | 0 | 0 | 0 | 0 | 110 | I68 P69 P74 L75 | I68-V71 PolarHBondContact O-N 3.07Å; P69-V71 PolarHBondContact O-N 2.95Å; V71-P74 WeakPolarHBondContact O-CD 3.13Å; V71-L75 WeakPolarHBondContact O-CB 3.41Å; V71-L75 PolarHBondContact O-N 2.93Å; V71-L75 VanDerWaalsContact O-N 3.15Å |
| 72 | F | 96.6 | Very high | 95.9 | Very high | 47 Ų | 47 | 45.2 Ų | 45.2 | 21% | 0.206 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -81.4 | -25.3 | -169.7 | -74.7 | -81.4 | 0 | 0 | 0 | 114 | Y46 V47 L50 I68 L75 L76 | Y46-F72 HydrophobicContact CE1-CB 4.49Å; Y46-F72 AromaticContact CE1-CD1 3.56Å; Y46-F72 HydrophobicContact CE1-CD1 3.56Å; Y46-F72 AromaticContact CE1-CE1 3.82Å; Y46-F72 HydrophobicContact CE1-CE1 3.82Å; Y46-F72 HydrophobicContact CE1-CG 4Å; Y46-F72 HydrophobicContact CE1-CZ 4.45Å; Y46-F72 WeakPolarHBondContact OH-CE1 3.35Å; V47-F72 HydrophobicContact CG2-CB 3.82Å; L50-F72 HydrophobicContact CD2-CD2 4.07Å; L50-F72 HydrophobicContact CD2-CE2 3.82Å; L50-F72 HydrophobicContact CD2-CZ 4.25Å; I68-F72 HydrophobicContact CG2-CD2 3.7Å; I68-F72 HydrophobicContact CG2-CE2 4.31Å; I68-F72 PolarHBondContact O-N 3.26Å; F72-L75 HydrophobicContact CD1-CD2 4.14Å; F72-L75 HydrophobicContact CE1-CD2 4.23Å; F72-L76 HydrophobicContact CB-CD1 4.15Å; F72-L76 HydrophobicContact CD1-CD1 4.42Å; F72-L76 HydrophobicContact CD1-CG 4.5Å; F72-L76 WeakPolarHBondContact O-CB 3.37Å; F72-L76 WeakPolarHBondContact O-CD1 3.46Å; F72-L76 WeakPolarHBondContact O-CG 3.4Å; F72-L76 PolarHBondContact O-N 3.39Å |
| 73 | G | 96.7 | Very high | 96 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.7 | -53.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | P69 I78 | P69-G73 WeakPolarHBondContact O-CA 3.33Å; P69-G73 PolarHBondContact O-N 2.91Å; G73-I78 WeakPolarHBondContact O-CB 3.19Å; G73-I78 PolarHBondContact O-N 3.08Å |
| 74 | P | 97.5 | Very high | 96 | Very high | 41 Ų | 41 | 41.6 Ų | 41.6 | 27% | 0.266 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.8 | -43.4 | 175.4 | -20.5 | 34.9 | 0 | 0 | 0 | 112.9 | L70 V71 L76 G77 A79 A81 I84 | L70-P74 VanDerWaalsContact O-CD 3.27Å; L70-P74 WeakPolarHBondContact O-CD 3.33Å; L70-P74 WeakPolarHBondContact O-CG 3.31Å; V71-P74 WeakPolarHBondContact O-CD 3.13Å; P74-L76 VanDerWaalsContact C-N 3.26Å; P74-L76 PolarHBondContact O-N 2.94Å; P74-G77 WeakPolarHBondContact O-CA 3.34Å; P74-G77 PolarHBondContact O-N 3.46Å; P74-A79 VanDerWaalsContact CA-O 3.3Å; P74-A79 WeakPolarHBondContact CA-O 3.44Å; P74-A81 HydrophobicContact CB-CB 4.37Å; P74-A81 HydrophobicContact CG-CB 3.78Å; P74-I84 HydrophobicContact CG-CD1 4.01Å |
| 75 | L | 96.2 | Very high | 96.1 | Very high | 124 Ų | 124 | 41.2 Ų | 41.2 | 65% | 0.649 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -59.7 | -36.6 | -177.5 | -177.2 | 66.5 | 0 | 0 | 0 | 112.5 | V71 F72 G77 | V71-L75 WeakPolarHBondContact O-CB 3.41Å; V71-L75 PolarHBondContact O-N 2.93Å; V71-L75 VanDerWaalsContact O-N 3.15Å; F72-L75 HydrophobicContact CD1-CD2 4.14Å; F72-L75 HydrophobicContact CE1-CD2 4.23Å; L75-G77 VanDerWaalsContact C-N 3.29Å |
| 76 | L | 96.1 | Very high | 96.1 | Very high | 20 Ų | 20 | 43.8 Ų | 43.8 | 11% | 0.105 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -3.2 | 176.6 | -62 | 171.8 | 0 | 0 | 0 | 112.9 | M31 K43 Y46 V47 F72 P74 I78 | M31-L76 HydrophobicContact CE-CD2 4.34Å; M31-L76 HydrophobicContact SD-CD2 4.44Å; K43-L76 HydrophobicContact CB-CB 4.18Å; K43-L76 HydrophobicContact CB-CD1 4.29Å; K43-L76 HydrophobicContact CD-CB 4.24Å; K43-L76 VanDerWaalsContact CD-O 3.25Å; K43-L76 WeakPolarHBondContact CD-O 3.33Å; K43-L76 WeakPolarHBondContact CE-O 3.47Å; K43-L76 HydrophobicContact CG-CB 4.33Å; K43-L76 PolarHBondContact NZ-O 2.9Å; Y46-L76 HydrophobicContact CD1-CD1 3.56Å; Y46-L76 HydrophobicContact CE1-CD1 4.12Å; Y46-L76 HydrophobicContact CG-CD1 4.45Å; V47-L76 HydrophobicContact CG2-CD1 3.94Å; F72-L76 HydrophobicContact CB-CD1 4.15Å; F72-L76 HydrophobicContact CD1-CD1 4.42Å; F72-L76 HydrophobicContact CD1-CG 4.5Å; F72-L76 WeakPolarHBondContact O-CB 3.37Å; F72-L76 WeakPolarHBondContact O-CD1 3.46Å; F72-L76 WeakPolarHBondContact O-CG 3.4Å; F72-L76 PolarHBondContact O-N 3.39Å; P74-L76 VanDerWaalsContact C-N 3.26Å; P74-L76 PolarHBondContact O-N 2.94Å; L76-I78 HydrophobicContact CB-CD1 4.25Å; L76-I78 HydrophobicContact CB-CG1 4.11Å; L76-I78 HydrophobicContact CD1-CD1 4.37Å |
| 77 | G | 94.9 | Very high | 95.9 | Very high | 47 Ų | 47 | 43.8 Ų | 43.8 | 49% | 0.485 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 30.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P74 L75 | P74-G77 WeakPolarHBondContact O-CA 3.34Å; P74-G77 PolarHBondContact O-N 3.46Å; L75-G77 VanDerWaalsContact C-N 3.29Å |
| 78 | I | 96.2 | Very high | 95.8 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -76.6 | -55.8 | 176.6 | -60.8 | 172 | 0 | 0 | 0 | 109.5 | K43 V47 G73 L76 V447 A450 | K43-I78 HydrophobicContact CB-CD1 3.87Å; K43-I78 HydrophobicContact CB-CG1 3.88Å; V47-I78 HydrophobicContact CG2-CD1 4.19Å; G73-I78 WeakPolarHBondContact O-CB 3.19Å; G73-I78 PolarHBondContact O-N 3.08Å; L76-I78 HydrophobicContact CB-CD1 4.25Å; L76-I78 HydrophobicContact CB-CG1 4.11Å; L76-I78 HydrophobicContact CD1-CD1 4.37Å; I78-V447 HydrophobicContact CD1-CG1 3.75Å; I78-V447 HydrophobicContact CG2-CG1 4.26Å; I78-A450 HydrophobicContact CG2-CB 3.99Å |
| 79 | A | 95.1 | Very high | 95.7 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -149.5 | 151.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | P74 I84 A450 | P74-A79 VanDerWaalsContact CA-O 3.3Å; P74-A79 WeakPolarHBondContact CA-O 3.44Å; A79-I84 HydrophobicContact CB-CD1 4.13Å; A79-I84 HydrophobicContact CB-CG1 4.13Å; A79-A450 HydrophobicContact CB-CB 3.83Å |
| 80 | P | 96.7 | Very high | 95.4 | Very high | 77 Ų | 77 | 48.7 Ų | 48.7 | 50% | 0.5 | 30% | 0.3 | S | S | . | . | trans | -58.7 | 150.3 | 173.7 | -23 | 34.1 | 0 | 0 | 0 | 112.6 | S82 T83 I84 | P80-S82 PolarHBondContact O-N 3.42Å; P80-T83 WeakPolarHBondContact O-CB 3.46Å; P80-T83 PolarHBondContact O-N 3.48Å; P80-I84 PolarHBondContact O-N 2.93Å | ||
| 81 | A | 96.2 | Very high | 95.1 | Very high | 52 Ų | 52 | 48.9 Ų | 48.9 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.9 | -34.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | P74 T83 I84 S85 | P74-A81 HydrophobicContact CB-CB 4.37Å; P74-A81 HydrophobicContact CG-CB 3.78Å; A81-T83 PolarHBondContact O-N 3.48Å; A81-I84 PolarHBondContact O-N 3.23Å; A81-S85 WeakPolarHBondContact O-CB 3.34Å; A81-S85 PolarHBondContact O-N 3.43Å; A81-S85 PolarHBondContact O-OG 2.91Å |
| 82 | S | 95.3 | Very high | 94.8 | Very high | 88 Ų | 88 | 45 Ų | 45 | 62% | 0.615 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -65.2 | -20.4 | 176.3 | 53.9 | 0 | 0 | 0 | 0 | 114.3 | P80 P86 | P80-S82 PolarHBondContact O-N 3.42Å; S82-P86 WeakPolarHBondContact O-CD 3.42Å; S82-P86 WeakPolarHBondContact O-CG 3.38Å |
| 83 | T | 93.5 | Very high | 94.7 | Very high | 70 Ų | 70 | 42.8 Ų | 42.8 | 43% | 0.429 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -88.1 | -31.3 | 174.6 | -51.6 | 0 | 0 | 0 | 0 | 111.5 | P80 A81 T446 | P80-T83 WeakPolarHBondContact O-CB 3.46Å; P80-T83 PolarHBondContact O-N 3.48Å; A81-T83 PolarHBondContact O-N 3.48Å; T83-T446 HydrophobicContact CG2-CG2 4.34Å |
| 84 | I | 95 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -86.8 | -42.1 | -175.7 | -58.5 | 168.3 | 0 | 0 | 0 | 111 | P69 L70 P74 A79 P80 A81 P86 S87 A443 V447 | P69-I84 HydrophobicContact CB-CG2 4.22Å; L70-I84 HydrophobicContact CD2-CG2 4.17Å; P74-I84 HydrophobicContact CG-CD1 4.01Å; A79-I84 HydrophobicContact CB-CD1 4.13Å; A79-I84 HydrophobicContact CB-CG1 4.13Å; P80-I84 PolarHBondContact O-N 2.93Å; A81-I84 PolarHBondContact O-N 3.23Å; I84-P86 VanDerWaalsContact C-CD 3.46Å; I84-S87 WeakPolarHBondContact O-CB 3.27Å; I84-S87 PolarHBondContact O-N 3.36Å; I84-S87 PolarHBondContact O-OG 2.83Å; I84-A443 HydrophobicContact CG2-CB 3.97Å; I84-V447 HydrophobicContact CD1-CG2 3.87Å; I84-V447 HydrophobicContact CG1-CG2 4.25Å; I84-V447 HydrophobicContact CG2-CG2 4.48Å |
| 85 | S | 95.9 | Very high | 94.4 | Very high | 56 Ų | 56 | 43.4 Ų | 43.4 | 39% | 0.392 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -60.1 | -36.4 | -175.5 | 69.3 | 0 | 0 | 0 | 0 | 115.4 | A81 S87 Y88 | A81-S85 WeakPolarHBondContact O-CB 3.34Å; A81-S85 PolarHBondContact O-N 3.43Å; A81-S85 PolarHBondContact O-OG 2.91Å; S85-S87 PolarHBondContact O-N 3.3Å; S85-Y88 PolarHBondContact O-N 3.08Å; S85-Y88 VanDerWaalsContact O-N 3.12Å |
| 86 | P | 94.7 | Very high | 94.2 | Very high | 54 Ų | 54 | 37.8 Ų | 37.8 | 35% | 0.351 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -64.7 | -12.5 | 175 | -21.2 | 35.5 | 0 | 0 | 0 | 113.4 | S82 I84 Y88 T89 R90 | S82-P86 WeakPolarHBondContact O-CD 3.42Å; S82-P86 WeakPolarHBondContact O-CG 3.38Å; I84-P86 VanDerWaalsContact C-CD 3.46Å; P86-Y88 PolarHBondContact O-N 3.02Å; P86-T89 CarbonylContact O-C 3.57Å; P86-T89 PolarHBondContact O-N 2.97Å; P86-T89 VanDerWaalsContact O-N 3.14Å; P86-R90 PolarHBondContact O-N 3.48Å |
| 87 | S | 93.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -62 | -24.6 | 173.7 | -53.1 | 0 | 0 | 0 | 0 | 112.4 | I84 S85 F442 T446 | I84-S87 WeakPolarHBondContact O-CB 3.27Å; I84-S87 PolarHBondContact O-N 3.36Å; I84-S87 PolarHBondContact O-OG 2.83Å; S85-S87 PolarHBondContact O-N 3.3Å; S87-F442 WeakPolarHBondContact O-CD2 3.27Å; S87-T446 PolarHBondContact OG-OG1 2.93Å |
| 88 | Y | 94.7 | Very high | 94.1 | Very high | 25 Ų | 25 | 36.8 Ų | 36.8 | 10% | 0.098 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -84.1 | -11.4 | 177.6 | -65.2 | -98 | 0 | 0 | 0 | 113.4 | A66 L67 L70 S85 P86 N93 L436 A443 | A66-Y88 PolarHBondContact O-OH 3.3Å; L67-Y88 WeakPolarHBondContact CA-OH 3.48Å; L67-Y88 HydrophobicContact CD2-CE1 4.04Å; L70-Y88 HydrophobicContact CD1-CD2 4.2Å; L70-Y88 HydrophobicContact CD1-CE1 4.42Å; L70-Y88 HydrophobicContact CD1-CE2 3.58Å; L70-Y88 HydrophobicContact CD2-CD2 4.1Å; L70-Y88 HydrophobicContact CD2-CE2 3.59Å; L70-Y88 HydrophobicContact CG-CD2 4.33Å; L70-Y88 HydrophobicContact CG-CE2 3.46Å; L70-Y88 VanDerWaalsContact CG-CE2 3.46Å; S85-Y88 PolarHBondContact O-N 3.08Å; S85-Y88 VanDerWaalsContact O-N 3.12Å; P86-Y88 PolarHBondContact O-N 3.02Å; Y88-N93 PolarHBondContact O-ND2 3.41Å; Y88-L436 HydrophobicContact CD1-CD2 4.42Å; Y88-A443 HydrophobicContact CD2-CB 4.37Å; Y88-A443 HydrophobicContact CE2-CB 3.51Å |
| 89 | T | 93.5 | Very high | 94 | Very high | 92 Ų | 92 | 36.6 Ų | 36.6 | 56% | 0.564 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -125.8 | 30.5 | -178.4 | 53.6 | 0 | 0 | 0 | 0 | 111.9 | P86 | P86-T89 CarbonylContact O-C 3.57Å; P86-T89 PolarHBondContact O-N 2.97Å; P86-T89 VanDerWaalsContact O-N 3.14Å |
| 90 | R | 91.2 | Very high | 94 | Very high | 72 Ų | 72 | 36.5 Ų | 36.5 | 27% | 0.272 | 22% | 0.217 | S | C | . | . | trans | -62.1 | 154 | 173.8 | -67.1 | -63.6 | -175.4 | 116 | 4.6 | 111.6 | P86 T92 N93 M94 N261 F442 | P86-R90 PolarHBondContact O-N 3.48Å; R90-T92 VanDerWaalsContact C-N 3.27Å; R90-T92 PolarHBondContact O-N 3.39Å; R90-N93 CarbonylContact O-C 3.54Å; R90-N93 WeakPolarHBondContact O-CA 3.5Å; R90-N93 WeakPolarHBondContact O-CB 3.41Å; R90-N93 PolarHBondContact O-N 2.96Å; R90-M94 PolarHBondContact O-N 2.65Å; R90-N261 VanDerWaalsContact NH1-CG 3.3Å; R90-N261 PolarHBondContact NH1-OD1 2.91Å; R90-N261 PolarHBondContact NH2-OD1 3.04Å; R90-F442 HydrophobicContact CB-CD2 4.16Å; R90-F442 HydrophobicContact CB-CE2 4.33Å; R90-F442 HydrophobicContact CG-CD2 4.11Å | ||
| 91 | D | 91.6 | Very high | 93.9 | Very high | 59 Ų | 59 | 32.9 Ų | 32.9 | 32% | 0.316 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -50.4 | -45.3 | 177.5 | -176.8 | 70.9 | 0 | 0 | 0 | 112.8 | N93 M94 L95 T375 S377 | D91-N93 VanDerWaalsContact C-N 3.29Å; D91-N93 PolarHBondContact O-N 2.84Å; D91-M94 CarbonylContact O-C 3.58Å; D91-M94 WeakPolarHBondContact O-CA 2.97Å; D91-M94 WeakPolarHBondContact O-CB 3.17Å; D91-M94 PolarHBondContact O-N 3.36Å; D91-L95 PolarHBondContact O-N 3.49Å; D91-T375 WeakPolarHBondContact OD1-CB 3.11Å; D91-T375 PolarHBondContact OD1-OG1 2.81Å; D91-T375 WeakPolarHBondContact OD2-CB 3.27Å; D91-T375 PolarHBondContact OD2-OG1 3Å; D91-S377 WeakPolarHBondContact O-CB 3.45Å; D91-S377 VanDerWaalsContact OD1-CB 3.26Å; D91-S377 WeakPolarHBondContact OD1-CB 3.35Å; D91-S377 PolarHBondContact OD1-OG 3.34Å |
| 92 | T | 91 | Very high | 93.9 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.018 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.3 | -37.4 | 174.2 | -54.9 | 0 | 0 | 0 | 0 | 113.2 | R90 M94 L95 F96 S253 Q256 G257 F442 | R90-T92 VanDerWaalsContact C-N 3.27Å; R90-T92 PolarHBondContact O-N 3.39Å; T92-M94 VanDerWaalsContact C-N 3.33Å; T92-L95 WeakPolarHBondContact O-CB 3.37Å; T92-L95 PolarHBondContact O-N 3.34Å; T92-F96 WeakPolarHBondContact O-CB 3.25Å; T92-F96 PolarHBondContact O-N 3.22Å; T92-S253 VanDerWaalsContact CG2-O 3.27Å; T92-S253 WeakPolarHBondContact CG2-O 3.43Å; T92-Q256 HydrophobicContact CG2-CB 4.03Å; T92-Q256 HydrophobicContact CG2-CG 4.22Å; T92-Q256 VanDerWaalsContact CG2-OE1 3.29Å; T92-G257 WeakPolarHBondContact OG1-CA 3.4Å; T92-F442 HydrophobicContact CG2-CZ 4.11Å |
| 93 | N | 92.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -71.6 | -31.7 | 175.8 | -147.9 | 25.5 | 0 | 0 | 0 | 111.3 | Y88 R90 D91 F96 F97 I435 V438 F442 | Y88-N93 PolarHBondContact O-ND2 3.41Å; R90-N93 CarbonylContact O-C 3.54Å; R90-N93 WeakPolarHBondContact O-CA 3.5Å; R90-N93 WeakPolarHBondContact O-CB 3.41Å; R90-N93 PolarHBondContact O-N 2.96Å; D91-N93 VanDerWaalsContact C-N 3.29Å; D91-N93 PolarHBondContact O-N 2.84Å; N93-F96 PolarHBondContact O-N 3.45Å; N93-F97 VanDerWaalsContact O-CB 3.27Å; N93-F97 WeakPolarHBondContact O-CB 3.38Å; N93-F97 PolarHBondContact O-N 3.06Å; N93-I435 WeakPolarHBondContact ND2-CG2 3.35Å; N93-I435 PolarHBondContact ND2-O 3.41Å; N93-V438 WeakPolarHBondContact OD1-CG1 3.49Å; N93-F442 HydrophobicContact CB-CE2 4.21Å |
| 94 | M | 94.9 | Very high | 93.9 | Very high | 54 Ų | 54 | 23.3 Ų | 23.3 | 27% | 0.266 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -71.2 | -36.6 | 173.5 | -62.7 | -59.1 | 94.3 | 0 | 0 | 112.3 | R90 D91 T92 F97 G98 I381 | R90-M94 PolarHBondContact O-N 2.65Å; D91-M94 CarbonylContact O-C 3.58Å; D91-M94 WeakPolarHBondContact O-CA 2.97Å; D91-M94 WeakPolarHBondContact O-CB 3.17Å; D91-M94 PolarHBondContact O-N 3.36Å; T92-M94 VanDerWaalsContact C-N 3.33Å; M94-F97 PolarHBondContact O-N 3.26Å; M94-G98 PolarHBondContact O-N 3.39Å; M94-I381 WeakPolarHBondContact O-CD1 3.43Å |
| 95 | L | 93.6 | Very high | 94 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.4 | -51.6 | 168.3 | 165.5 | 63.3 | 0 | 0 | 0 | 110.5 | D91 T92 F97 G98 G99 I246 I247 W348 D376 A380 | D91-L95 PolarHBondContact O-N 3.49Å; T92-L95 WeakPolarHBondContact O-CB 3.37Å; T92-L95 PolarHBondContact O-N 3.34Å; L95-F97 VanDerWaalsContact C-N 3.32Å; L95-F97 PolarHBondContact O-N 2.94Å; L95-G98 PolarHBondContact O-N 3.39Å; L95-G99 PolarHBondContact O-N 2.98Å; L95-I246 HydrophobicContact CD2-CG2 4.18Å; L95-I247 HydrophobicContact CD1-CG2 4.48Å; L95-I247 HydrophobicContact CG-CG2 4.24Å; L95-W348 VanDerWaalsContact CD1-CE2 3.48Å; L95-W348 HydrophobicContact CD1-CH2 4.42Å; L95-W348 HydrophobicContact CD1-CZ2 3.4Å; L95-D376 HydrophobicContact CD1-CB 3.85Å; L95-D376 WeakPolarHBondContact CD1-O 3.49Å; L95-D376 HydrophobicContact CD2-CB 3.89Å; L95-D376 HydrophobicContact CG-CB 4.4Å; L95-A380 HydrophobicContact CD1-CB 4.14Å |
| 96 | F | 91.8 | Very high | 93.9 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 2% | 0.022 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 179.3 | -164.9 | -116.5 | 0 | 0 | 0 | 111.6 | T92 N93 G99 L100 I247 P250 S253 V434 I435 V438 | T92-F96 WeakPolarHBondContact O-CB 3.25Å; T92-F96 PolarHBondContact O-N 3.22Å; N93-F96 PolarHBondContact O-N 3.45Å; F96-G99 PolarHBondContact O-N 3.03Å; F96-L100 HydrophobicContact CD1-CD1 3.66Å; F96-L100 HydrophobicContact CD1-CG 4.45Å; F96-L100 HydrophobicContact CE1-CD1 3.32Å; F96-L100 HydrophobicContact CE1-CG 4.2Å; F96-L100 HydrophobicContact CE2-CD1 4.41Å; F96-L100 HydrophobicContact CE2-CG 4.48Å; F96-L100 HydrophobicContact CG-CD1 4.3Å; F96-L100 HydrophobicContact CZ-CD1 3.75Å; F96-L100 HydrophobicContact CZ-CD2 4.39Å; F96-L100 HydrophobicContact CZ-CG 4.22Å; F96-L100 WeakPolarHBondContact O-CB 3.39Å; F96-L100 VanDerWaalsContact O-CG 3.29Å; F96-L100 WeakPolarHBondContact O-CG 3.44Å; F96-L100 PolarHBondContact O-N 3.34Å; F96-I247 HydrophobicContact CD2-CB 3.94Å; F96-I247 HydrophobicContact CD2-CG2 4.05Å; F96-I247 HydrophobicContact CE2-CB 4.24Å; F96-I247 VanDerWaalsContact CE2-O 3.26Å; F96-I247 WeakPolarHBondContact CE2-O 3.2Å; F96-P250 HydrophobicContact CZ-CG 4.45Å; F96-S253 WeakPolarHBondContact CD2-OG 3.29Å; F96-V434 HydrophobicContact CE1-CB 4.21Å; F96-V434 HydrophobicContact CE1-CG1 3.45Å; F96-V434 VanDerWaalsContact CE1-CG1 3.45Å; F96-V434 HydrophobicContact CZ-CG1 3.8Å; F96-I435 HydrophobicContact CB-CD1 4.48Å; F96-I435 HydrophobicContact CD1-CD1 3.6Å; F96-I435 HydrophobicContact CE1-CD1 4.35Å; F96-I435 HydrophobicContact CG-CD1 4.47Å; F96-V438 HydrophobicContact CD1-CG2 4.44Å; F96-V438 HydrophobicContact CE1-CG2 4.37Å |
| 97 | F | 94.8 | Very high | 93.9 | Very high | 46 Ų | 46 | 20.8 Ų | 20.8 | 20% | 0.202 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -57.7 | -54.1 | 174.3 | -177.7 | -84.4 | 0 | 0 | 0 | 112.3 | N93 M94 L95 G99 L100 M101 I381 F430 W432 I435 | N93-F97 VanDerWaalsContact O-CB 3.27Å; N93-F97 WeakPolarHBondContact O-CB 3.38Å; N93-F97 PolarHBondContact O-N 3.06Å; M94-F97 PolarHBondContact O-N 3.26Å; L95-F97 VanDerWaalsContact C-N 3.32Å; L95-F97 PolarHBondContact O-N 2.94Å; F97-G99 PolarHBondContact O-N 2.84Å; F97-L100 PolarHBondContact O-N 2.94Å; F97-M101 HydrophobicContact CE1-CE 3.7Å; F97-M101 HydrophobicContact CE2-CE 4.11Å; F97-M101 HydrophobicContact CZ-CE 3.45Å; F97-M101 VanDerWaalsContact CZ-CE 3.45Å; F97-M101 WeakPolarHBondContact O-CB 3.34Å; F97-M101 PolarHBondContact O-N 2.88Å; F97-I381 HydrophobicContact CD1-CD1 3.7Å; F97-I381 HydrophobicContact CE1-CD1 4.38Å; F97-F430 HydrophobicContact CB-CZ 4.42Å; F97-F430 AromaticContact CD2-CE1 3.93Å; F97-F430 HydrophobicContact CD2-CE1 3.93Å; F97-F430 HydrophobicContact CD2-CE2 4.15Å; F97-F430 AromaticContact CD2-CZ 3.35Å; F97-F430 HydrophobicContact CD2-CZ 3.35Å; F97-F430 AromaticContact CE2-CE1 3.99Å; F97-F430 HydrophobicContact CE2-CE1 3.99Å; F97-F430 HydrophobicContact CE2-CE2 4.33Å; F97-F430 AromaticContact CE2-CZ 3.69Å; F97-F430 HydrophobicContact CE2-CZ 3.69Å; F97-F430 HydrophobicContact CG-CE2 4.45Å; F97-F430 AromaticContact CG-CZ 3.96Å; F97-F430 HydrophobicContact CG-CZ 3.96Å; F97-F430 WeakPolarHBondContact O-CE2 3.33Å; F97-W432 HydrophobicContact CE2-CH2 4.13Å; F97-W432 AromaticContact CE2-CZ3 3.87Å; F97-W432 HydrophobicContact CE2-CZ3 3.87Å; F97-I435 HydrophobicContact CB-CD1 4Å; F97-I435 HydrophobicContact CD2-CD1 4.41Å |
| 98 | G | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M94 L95 M101 M102 | M94-G98 PolarHBondContact O-N 3.39Å; L95-G98 PolarHBondContact O-N 3.39Å; G98-M101 PolarHBondContact O-N 2.95Å; G98-M102 PolarHBondContact O-N 3.36Å |
| 99 | G | 93.9 | Very high | 94 | Very high | 3 Ų | 3 | 20.8 Ų | 20.8 | 3% | 0.031 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L95 F96 F97 M101 M102 A103 | L95-G99 PolarHBondContact O-N 2.98Å; F96-G99 PolarHBondContact O-N 3.03Å; F97-G99 PolarHBondContact O-N 2.84Å; G99-M101 VanDerWaalsContact C-N 3.32Å; G99-M101 PolarHBondContact O-N 2.94Å; G99-M102 PolarHBondContact O-N 3.44Å; G99-A103 PolarHBondContact O-N 3.32Å |
| 100 | L | 93.7 | Very high | 94 | Very high | 8 Ų | 8 | 21.8 Ų | 21.8 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.4 | -34.7 | 176.5 | -74 | 175.9 | 0 | 0 | 0 | 112.6 | F96 F97 A103 C104 F430 P431 I435 | F96-L100 HydrophobicContact CD1-CD1 3.66Å; F96-L100 HydrophobicContact CD1-CG 4.45Å; F96-L100 HydrophobicContact CE1-CD1 3.32Å; F96-L100 HydrophobicContact CE1-CG 4.2Å; F96-L100 HydrophobicContact CE2-CD1 4.41Å; F96-L100 HydrophobicContact CE2-CG 4.48Å; F96-L100 HydrophobicContact CG-CD1 4.3Å; F96-L100 HydrophobicContact CZ-CD1 3.75Å; F96-L100 HydrophobicContact CZ-CD2 4.39Å; F96-L100 HydrophobicContact CZ-CG 4.22Å; F96-L100 WeakPolarHBondContact O-CB 3.39Å; F96-L100 VanDerWaalsContact O-CG 3.29Å; F96-L100 WeakPolarHBondContact O-CG 3.44Å; F96-L100 PolarHBondContact O-N 3.34Å; F97-L100 PolarHBondContact O-N 2.94Å; L100-A103 WeakPolarHBondContact O-CB 3.14Å; L100-A103 PolarHBondContact O-N 3.45Å; L100-C104 PolarHBondContact O-N 3.45Å; L100-C104 PolarHBondContact O-SG 3.04Å; L100-C104 VanDerWaalsContact O-SG 3.33Å; L100-F430 HydrophobicContact CB-CD2 4.15Å; L100-F430 HydrophobicContact CB-CE2 3.57Å; L100-F430 HydrophobicContact CB-CZ 4.24Å; L100-F430 HydrophobicContact CD1-CE2 4.48Å; L100-F430 HydrophobicContact CD1-CZ 4.39Å; L100-P431 HydrophobicContact CD1-CG 3.69Å; L100-P431 HydrophobicContact CD2-CG 4.12Å; L100-P431 HydrophobicContact CG-CG 4.41Å; L100-I435 HydrophobicContact CD1-CD1 4.31Å |
| 101 | M | 95.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.9 | -42.7 | 175.7 | -160.1 | 64.6 | 72.9 | 0 | 0 | 111.2 | F97 G98 G99 A103 C104 A105 A384 M388 L421 A426 F430 | F97-M101 HydrophobicContact CE1-CE 3.7Å; F97-M101 HydrophobicContact CE2-CE 4.11Å; F97-M101 HydrophobicContact CZ-CE 3.45Å; F97-M101 VanDerWaalsContact CZ-CE 3.45Å; F97-M101 WeakPolarHBondContact O-CB 3.34Å; F97-M101 PolarHBondContact O-N 2.88Å; G98-M101 PolarHBondContact O-N 2.95Å; G99-M101 VanDerWaalsContact C-N 3.32Å; G99-M101 PolarHBondContact O-N 2.94Å; M101-A103 VanDerWaalsContact C-N 3.32Å; M101-A103 PolarHBondContact O-N 3.47Å; M101-C104 WeakPolarHBondContact O-CB 3.38Å; M101-C104 PolarHBondContact O-N 3.07Å; M101-A105 PolarHBondContact O-N 3.25Å; M101-A384 HydrophobicContact CB-CB 3.72Å; M101-A384 HydrophobicContact CG-CB 3.81Å; M101-M388 HydrophobicContact CE-CE 3.83Å; M101-M388 HydrophobicContact CG-CE 3.57Å; M101-M388 HydrophobicContact SD-CE 3.33Å; M101-M388 WeakPolarHBondContact SD-CE 3.29Å; M101-L421 HydrophobicContact CG-CD2 3.54Å; M101-L421 WeakPolarHBondContact O-CD2 3.39Å; M101-L421 HydrophobicContact SD-CD2 3.49Å; M101-L421 WeakPolarHBondContact SD-CD2 3.43Å; M101-A426 HydrophobicContact CE-CB 4.49Å; M101-A426 HydrophobicContact SD-CB 3.67Å; M101-F430 HydrophobicContact CB-CE2 4.38Å; M101-F430 HydrophobicContact CE-CD2 3.64Å; M101-F430 HydrophobicContact CE-CE2 3.77Å; M101-F430 HydrophobicContact CE-CG 4.27Å; M101-F430 HydrophobicContact CE-CZ 4.49Å; M101-F430 HydrophobicContact SD-CD2 3.93Å; M101-F430 HydrophobicContact SD-CE2 4.43Å |
| 102 | M | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -63.6 | -38.8 | 173.2 | -167.7 | 63.2 | -132.3 | 0 | 0 | 111.6 | G98 G99 C104 A105 I106 S337 L340 F341 L344 M383 A387 | G98-M102 PolarHBondContact O-N 3.36Å; G99-M102 PolarHBondContact O-N 3.44Å; M102-C104 PolarHBondContact O-N 3.38Å; M102-A105 HydrophobicContact CE-CB 4.03Å; M102-A105 WeakPolarHBondContact O-CB 3.37Å; M102-A105 PolarHBondContact O-N 2.98Å; M102-A105 VanDerWaalsContact O-N 3.14Å; M102-I106 HydrophobicContact CE-CG1 4.07Å; M102-I106 WeakPolarHBondContact O-CG1 3.48Å; M102-I106 PolarHBondContact O-N 3.15Å; M102-S337 VanDerWaalsContact CE-O 3.28Å; M102-S337 WeakPolarHBondContact CE-O 3.48Å; M102-L340 HydrophobicContact CE-CB 3.81Å; M102-L340 HydrophobicContact SD-CB 4.06Å; M102-F341 HydrophobicContact CE-CB 4.21Å; M102-F341 HydrophobicContact CG-CB 4.47Å; M102-F341 HydrophobicContact CG-CD2 4.1Å; M102-L344 HydrophobicContact CB-CD2 3.91Å; M102-L344 HydrophobicContact CG-CD2 3.92Å; M102-M383 HydrophobicContact SD-CB 4.43Å; M102-A387 HydrophobicContact SD-CB 4.43Å |
| 103 | A | 94.6 | Very high | 94.6 | Very high | 5 Ų | 5 | 19.6 Ų | 19.6 | 4% | 0.041 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G99 L100 M101 A105 I106 E107 M145 | G99-A103 PolarHBondContact O-N 3.32Å; L100-A103 WeakPolarHBondContact O-CB 3.14Å; L100-A103 PolarHBondContact O-N 3.45Å; M101-A103 VanDerWaalsContact C-N 3.32Å; M101-A103 PolarHBondContact O-N 3.47Å; A103-A105 VanDerWaalsContact C-N 3.29Å; A103-A105 PolarHBondContact O-N 3.2Å; A103-I106 PolarHBondContact O-N 2.92Å; A103-E107 WeakPolarHBondContact O-CB 3.34Å; A103-E107 PolarHBondContact O-N 2.93Å; A103-M145 HydrophobicContact CB-CG 4.15Å |
| 104 | C | 95 | Very high | 94.7 | Very high | 4 Ų | 4 | 21.5 Ų | 21.5 | 3% | 0.027 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -61.3 | -35.8 | 173.4 | -68.8 | 0 | 0 | 0 | 0 | 112.4 | L100 M101 M102 E107 N108 L421 | L100-C104 PolarHBondContact O-N 3.45Å; L100-C104 PolarHBondContact O-SG 3.04Å; L100-C104 VanDerWaalsContact O-SG 3.33Å; M101-C104 WeakPolarHBondContact O-CB 3.38Å; M101-C104 PolarHBondContact O-N 3.07Å; M102-C104 PolarHBondContact O-N 3.38Å; C104-E107 PolarHBondContact O-N 3.32Å; C104-N108 VanDerWaalsContact O-CB 3.24Å; C104-N108 WeakPolarHBondContact O-CB 3.36Å; C104-N108 PolarHBondContact O-N 2.89Å; C104-L421 HydrophobicContact CB-CD1 4.02Å; C104-L421 HydrophobicContact CB-CD2 4.25Å |
| 105 | A | 96 | Very high | 94.7 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | M101 M102 A103 E107 N108 N109 A387 L421 | M101-A105 PolarHBondContact O-N 3.25Å; M102-A105 HydrophobicContact CE-CB 4.03Å; M102-A105 WeakPolarHBondContact O-CB 3.37Å; M102-A105 PolarHBondContact O-N 2.98Å; M102-A105 VanDerWaalsContact O-N 3.14Å; A103-A105 VanDerWaalsContact C-N 3.29Å; A103-A105 PolarHBondContact O-N 3.2Å; A105-E107 VanDerWaalsContact C-N 3.28Å; A105-E107 PolarHBondContact O-N 3.43Å; A105-N108 PolarHBondContact O-N 3.4Å; A105-N109 WeakPolarHBondContact O-CB 3.3Å; A105-N109 PolarHBondContact O-N 2.65Å; A105-N109 PolarHBondContact O-ND2 2.69Å; A105-A387 HydrophobicContact CB-CB 4.03Å; A105-L421 HydrophobicContact CB-CB 3.99Å; A105-L421 HydrophobicContact CB-CD2 4.34Å |
| 106 | I | 95 | Very high | 94.8 | Very high | 11 Ų | 11 | 21 Ų | 21 | 6% | 0.056 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -62.1 | -38.9 | 174.2 | -66.6 | 167.9 | 0 | 0 | 0 | 110.8 | M102 A103 Y110 V111 H112 F341 | M102-I106 HydrophobicContact CE-CG1 4.07Å; M102-I106 WeakPolarHBondContact O-CG1 3.48Å; M102-I106 PolarHBondContact O-N 3.15Å; A103-I106 PolarHBondContact O-N 2.92Å; I106-Y110 PolarHBondContact O-N 3.2Å; I106-V111 HydrophobicContact CG2-CB 3.82Å; I106-V111 HydrophobicContact CG2-CG1 4.14Å; I106-V111 PolarHBondContact O-N 3.41Å; I106-V111 VanDerWaalsContact O-N 3.14Å; I106-H112 HydrophobicContact CG2-CB 4.07Å; I106-H112 PolarHBondContact O-ND1 2.8Å; I106-F341 HydrophobicContact CD1-CB 3.64Å; I106-F341 HydrophobicContact CD1-CD1 4.07Å; I106-F341 HydrophobicContact CD1-CD2 3.23Å; I106-F341 HydrophobicContact CD1-CE2 3.84Å; I106-F341 HydrophobicContact CD1-CG 3.34Å; I106-F341 HydrophobicContact CD1-CZ 4.48Å; I106-F341 HydrophobicContact CG1-CB 4.29Å; I106-F341 HydrophobicContact CG1-CG 4.45Å |
| 107 | E | 94.2 | Very high | 94.9 | Very high | 46 Ų | 46 | 21 Ų | 21 | 22% | 0.215 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -68.2 | -49.6 | 177.7 | -161 | -161.7 | 124.2 | 0 | 0 | 111.6 | A103 C104 A105 N109 Y110 H112 M145 K429 | A103-E107 WeakPolarHBondContact O-CB 3.34Å; A103-E107 PolarHBondContact O-N 2.93Å; C104-E107 PolarHBondContact O-N 3.32Å; A105-E107 VanDerWaalsContact C-N 3.28Å; A105-E107 PolarHBondContact O-N 3.43Å; E107-N109 PolarHBondContact O-N 2.9Å; E107-Y110 PolarHBondContact O-N 3.36Å; E107-Y110 VanDerWaalsContact O-N 3.08Å; E107-H112 VanDerWaalsContact CA-CE1 3.48Å; E107-H112 WeakPolarHBondContact CA-CE1 3.34Å; E107-H112 WeakPolarHBondContact CA-ND1 3.44Å; E107-H112 WeakPolarHBondContact CG-NE2 3.36Å; E107-H112 PolarHBondContact O-CE1 3.2Å; E107-M145 HydrophobicContact CB-CE 3.83Å; E107-M145 HydrophobicContact CG-CE 3.9Å; E107-K429 WeakPolarHBondContact OE1-CD 3.24Å; E107-K429 WeakPolarHBondContact OE1-CE 3.47Å; E107-K429 IonicContact OE1-NZ 2.75Å; E107-K429 PolarHBondContact OE1-NZ 2.86Å |
| 108 | N | 94.4 | Very high | 94.8 | Very high | 24 Ų | 24 | 21.6 Ų | 21.6 | 13% | 0.128 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.1 | -34.6 | 178.9 | -174.1 | 54.7 | 0 | 0 | 0 | 112.5 | C104 A105 L420 L421 V425 | C104-N108 VanDerWaalsContact O-CB 3.24Å; C104-N108 WeakPolarHBondContact O-CB 3.36Å; C104-N108 PolarHBondContact O-N 2.89Å; A105-N108 PolarHBondContact O-N 3.4Å; N108-L420 PolarHBondContact ND2-O 3.26Å; N108-L421 HydrophobicContact CB-CD1 4.5Å; N108-V425 HydrophobicContact CB-CG1 4.14Å |
| 109 | N | 94.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.011 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 5.6 | 179.4 | -66.1 | -57.8 | 0 | 0 | 0 | 113.8 | A105 E107 V111 C333 E334 S337 L420 | A105-N109 WeakPolarHBondContact O-CB 3.3Å; A105-N109 PolarHBondContact O-N 2.65Å; A105-N109 PolarHBondContact O-ND2 2.69Å; E107-N109 PolarHBondContact O-N 2.9Å; N109-V111 HydrophobicContact CB-CG2 4.39Å; N109-V111 PolarHBondContact O-N 3.06Å; N109-C333 HydrophobicContact CB-CB 4.44Å; N109-C333 WeakPolarHBondContact OD1-CB 3.45Å; N109-E334 WeakPolarHBondContact O-CG 3.3Å; N109-S337 PolarHBondContact ND2-OG 3.47Å; N109-L420 PolarHBondContact ND2-O 3.31Å |
| 110 | Y | 94.2 | Very high | 94.7 | Very high | 112 Ų | 112 | 23.8 Ų | 23.8 | 44% | 0.439 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 13.1 | 176.4 | -52.9 | -77.1 | 0 | 0 | 0 | 116.5 | I106 E107 H112 R113 R114 L327 | I106-Y110 PolarHBondContact O-N 3.2Å; E107-Y110 PolarHBondContact O-N 3.36Å; E107-Y110 VanDerWaalsContact O-N 3.08Å; Y110-H112 VanDerWaalsContact C-N 3.33Å; Y110-H112 PolarHBondContact O-N 2.94Å; Y110-R113 PolarHBondContact O-N 3.22Å; Y110-R113 VanDerWaalsContact O-N 3.16Å; Y110-R114 PolarHBondContact O-N 3.11Å; Y110-R114 VanDerWaalsContact O-N 3.15Å; Y110-L327 HydrophobicContact CD1-CD2 4.49Å; Y110-L327 HydrophobicContact CG-CD2 4.17Å |
| 111 | V | 95.7 | Very high | 94.6 | Very high | 20 Ų | 20 | 28.4 Ų | 28.4 | 12% | 0.121 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.9 | -46.2 | 177.8 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | I106 N109 R113 R114 V115 E334 | I106-V111 HydrophobicContact CG2-CB 3.82Å; I106-V111 HydrophobicContact CG2-CG1 4.14Å; I106-V111 PolarHBondContact O-N 3.41Å; I106-V111 VanDerWaalsContact O-N 3.14Å; N109-V111 HydrophobicContact CB-CG2 4.39Å; N109-V111 PolarHBondContact O-N 3.06Å; V111-R113 VanDerWaalsContact C-N 3.32Å; V111-R113 PolarHBondContact O-N 3.43Å; V111-R114 PolarHBondContact O-N 3.38Å; V111-R114 VanDerWaalsContact O-N 3.08Å; V111-V115 HydrophobicContact CG1-CG2 4.28Å; V111-V115 WeakPolarHBondContact O-CG2 3.48Å; V111-V115 PolarHBondContact O-N 3Å; V111-E334 HydrophobicContact CG2-CB 3.82Å; V111-E334 HydrophobicContact CG2-CG 4.09Å; V111-E334 WeakPolarHBondContact CG2-O 3.22Å |
| 112 | H | 94.8 | Very high | 94.2 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -52.1 | -44.4 | 175 | 65.2 | -51 | 0 | 0 | 0 | 113.3 | I106 E107 Y110 V115 A116 L141 M145 M153 | I106-H112 HydrophobicContact CG2-CB 4.07Å; I106-H112 PolarHBondContact O-ND1 2.8Å; E107-H112 VanDerWaalsContact CA-CE1 3.48Å; E107-H112 WeakPolarHBondContact CA-CE1 3.34Å; E107-H112 WeakPolarHBondContact CA-ND1 3.44Å; E107-H112 WeakPolarHBondContact CG-NE2 3.36Å; E107-H112 PolarHBondContact O-CE1 3.2Å; Y110-H112 VanDerWaalsContact C-N 3.33Å; Y110-H112 PolarHBondContact O-N 2.94Å; H112-V115 PolarHBondContact O-N 3.18Å; H112-A116 WeakPolarHBondContact O-CB 3.47Å; H112-A116 PolarHBondContact O-N 3.02Å; H112-L141 HydrophobicContact CB-CD1 4.48Å; H112-L141 HydrophobicContact CB-CD2 4.15Å; H112-M145 HydrophobicContact CB-CE 4.31Å; H112-M145 HydrophobicContact CB-SD 3.63Å; H112-M153 HydrophobicContact CB-CE 4.35Å; H112-M153 HydrophobicContact CB-SD 4.45Å; H112-M153 VanDerWaalsContact CD2-CE 3.45Å; H112-M153 WeakPolarHBondContact CD2-CE 3.39Å; H112-M153 PolarHBondContact CD2-SD 2.9Å |
| 113 | R | 95.3 | Very high | 93.7 | Very high | 60 Ų | 60 | 36.5 Ų | 36.5 | 23% | 0.226 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.7 | -41.8 | 175.6 | -74.5 | -172.4 | 178.5 | -104.2 | -7.1 | 112.2 | Y110 V111 A116 I117 M153 E323 L327 | Y110-R113 PolarHBondContact O-N 3.22Å; Y110-R113 VanDerWaalsContact O-N 3.16Å; V111-R113 VanDerWaalsContact C-N 3.32Å; V111-R113 PolarHBondContact O-N 3.43Å; R113-A116 PolarHBondContact O-N 2.81Å; R113-I117 WeakPolarHBondContact O-CG1 3.49Å; R113-I117 PolarHBondContact O-N 3.34Å; R113-M153 HydrophobicContact CB-SD 4.41Å; R113-M153 HydrophobicContact CG-CG 4.19Å; R113-M153 HydrophobicContact CG-SD 3.59Å; R113-M153 VanDerWaalsContact CG-SD 3.59Å; R113-E323 IonicContact NH1-OE2 2.8Å; R113-L327 HydrophobicContact CB-CD1 4.2Å; R113-L327 HydrophobicContact CB-CD2 4.29Å |
| 114 | R | 95.5 | Very high | 93 | Very high | 41 Ų | 41 | 37.7 Ų | 37.7 | 16% | 0.155 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.2 | -41.9 | 177.7 | -168.8 | 175.6 | -55.6 | -83.2 | 1.6 | 111.7 | Y110 V111 I117 S118 L327 G328 S329 E334 | Y110-R114 PolarHBondContact O-N 3.11Å; Y110-R114 VanDerWaalsContact O-N 3.15Å; V111-R114 PolarHBondContact O-N 3.38Å; V111-R114 VanDerWaalsContact O-N 3.08Å; R114-I117 PolarHBondContact O-N 2.82Å; R114-S118 WeakPolarHBondContact O-CB 3.43Å; R114-S118 PolarHBondContact O-N 3.46Å; R114-S118 PolarHBondContact O-OG 2.79Å; R114-L327 HydrophobicContact CB-CD1 4.46Å; R114-G328 PolarHBondContact NH1-O 3.44Å; R114-G328 PolarHBondContact NH2-O 3.32Å; R114-S329 PolarHBondContact NH2-O 3Å; R114-E334 IonicContact CZ-OE1 3.73Å; R114-E334 IonicContact CZ-OE2 3.21Å; R114-E334 IonicContact NE-OE1 3.86Å; R114-E334 IonicContact NE-OE2 2.65Å; R114-E334 PolarHBondContact NE-OE2 3.34Å; R114-E334 VanDerWaalsContact NH2-CD 3.26Å; R114-E334 IonicContact NH2-OE1 2.8Å; R114-E334 PolarHBondContact NH2-OE1 2.88Å; R114-E334 IonicContact NH2-OE2 2.94Å; R114-E334 PolarHBondContact NH2-OE2 2.89Å |
| 115 | V | 94.4 | Very high | 92.5 | Very high | 43 Ų | 43 | 37.7 Ų | 37.7 | 26% | 0.261 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.5 | -46.3 | 174.3 | 171.6 | 0 | 0 | 0 | 0 | 110.2 | V111 H112 I117 S118 F119 F140 L141 | V111-V115 HydrophobicContact CG1-CG2 4.28Å; V111-V115 WeakPolarHBondContact O-CG2 3.48Å; V111-V115 PolarHBondContact O-N 3Å; H112-V115 PolarHBondContact O-N 3.18Å; V115-I117 PolarHBondContact O-N 3.3Å; V115-S118 WeakPolarHBondContact O-CB 3.18Å; V115-S118 PolarHBondContact O-N 3.38Å; V115-S118 VanDerWaalsContact O-N 3.15Å; V115-F119 HydrophobicContact CG1-CD2 3.84Å; V115-F119 HydrophobicContact CG1-CE2 3.55Å; V115-F119 VanDerWaalsContact O-CD2 3.29Å; V115-F119 WeakPolarHBondContact O-CD2 3.26Å; V115-F119 PolarHBondContact O-N 2.96Å; V115-F140 HydrophobicContact CG1-CD1 4.24Å; V115-F140 HydrophobicContact CG1-CE1 4.28Å; V115-L141 HydrophobicContact CB-CD2 4.42Å; V115-L141 HydrophobicContact CG1-CD2 4.14Å |
| 116 | A | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.5 | -50.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | H112 R113 S118 F119 L120 P137 L141 M154 I157 | H112-A116 WeakPolarHBondContact O-CB 3.47Å; H112-A116 PolarHBondContact O-N 3.02Å; R113-A116 PolarHBondContact O-N 2.81Å; A116-S118 VanDerWaalsContact C-N 3.27Å; A116-S118 PolarHBondContact O-N 2.71Å; A116-F119 PolarHBondContact O-N 2.78Å; A116-L120 WeakPolarHBondContact O-CG 3.41Å; A116-L120 PolarHBondContact O-N 2.88Å; A116-P137 HydrophobicContact CB-CB 4.1Å; A116-L141 HydrophobicContact CB-CD1 4.16Å; A116-M154 HydrophobicContact CB-SD 3.83Å; A116-I157 HydrophobicContact CB-CD1 4.5Å |
| 117 | I | 94.7 | Very high | 91.8 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.1 | -36.8 | 177 | -68.2 | 166.1 | 0 | 0 | 0 | 111.4 | R113 R114 V115 L120 K121 L320 E323 L327 | R113-I117 WeakPolarHBondContact O-CG1 3.49Å; R113-I117 PolarHBondContact O-N 3.34Å; R114-I117 PolarHBondContact O-N 2.82Å; V115-I117 PolarHBondContact O-N 3.3Å; I117-L120 PolarHBondContact O-N 3.24Å; I117-K121 HydrophobicContact CG2-CD 4.17Å; I117-K121 HydrophobicContact CG2-CG 4.37Å; I117-K121 VanDerWaalsContact O-CG 3.32Å; I117-K121 WeakPolarHBondContact O-CG 3.1Å; I117-K121 PolarHBondContact O-N 3.32Å; I117-L320 HydrophobicContact CG1-CD2 4.46Å; I117-L320 HydrophobicContact CG2-CD2 4.36Å; I117-E323 HydrophobicContact CD1-CB 3.7Å; I117-E323 HydrophobicContact CG1-CB 4.47Å; I117-L327 HydrophobicContact CD1-CD1 3.53Å |
| 118 | S | 93.4 | Very high | 91.6 | Very high | 60 Ų | 60 | 36.7 Ų | 36.7 | 42% | 0.42 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.1 | -42.5 | 178.3 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | R114 V115 A116 K121 | R114-S118 WeakPolarHBondContact O-CB 3.43Å; R114-S118 PolarHBondContact O-N 3.46Å; R114-S118 PolarHBondContact O-OG 2.79Å; V115-S118 WeakPolarHBondContact O-CB 3.18Å; V115-S118 PolarHBondContact O-N 3.38Å; V115-S118 VanDerWaalsContact O-N 3.15Å; A116-S118 VanDerWaalsContact C-N 3.27Å; A116-S118 PolarHBondContact O-N 2.71Å; S118-K121 PolarHBondContact O-N 3.23Å |
| 119 | F | 93.3 | Very high | 91.5 | Very high | 47 Ų | 47 | 38.7 Ų | 38.7 | 21% | 0.206 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.3 | -44.3 | 171.4 | -77.4 | -65.2 | 0 | 0 | 0 | 112.3 | V115 A116 K121 L122 V123 L136 P137 F140 | V115-F119 HydrophobicContact CG1-CD2 3.84Å; V115-F119 HydrophobicContact CG1-CE2 3.55Å; V115-F119 VanDerWaalsContact O-CD2 3.29Å; V115-F119 WeakPolarHBondContact O-CD2 3.26Å; V115-F119 PolarHBondContact O-N 2.96Å; A116-F119 PolarHBondContact O-N 2.78Å; F119-K121 PolarHBondContact O-N 3.27Å; F119-L122 PolarHBondContact O-N 3.36Å; F119-L122 VanDerWaalsContact O-N 3.14Å; F119-V123 WeakPolarHBondContact O-CG2 3.37Å; F119-L136 HydrophobicContact CD1-CD2 3.45Å; F119-L136 VanDerWaalsContact CD1-CD2 3.45Å; F119-L136 HydrophobicContact CD1-CG 3.83Å; F119-L136 HydrophobicContact CE1-CD2 3.67Å; F119-L136 HydrophobicContact CE1-CG 3.91Å; F119-L136 HydrophobicContact CG-CD2 4.39Å; F119-L136 HydrophobicContact CG-CG 4.45Å; F119-P137 HydrophobicContact CB-CB 4.09Å; F119-P137 HydrophobicContact CB-CG 4.22Å; F119-P137 HydrophobicContact CD2-CB 3.93Å; F119-P137 HydrophobicContact CG-CB 4.33Å; F119-F140 HydrophobicContact CE2-CB 4.35Å; F119-F140 AromaticContact CE2-CD1 3.91Å; F119-F140 HydrophobicContact CE2-CD1 3.91Å; F119-F140 HydrophobicContact CE2-CG 4.25Å; F119-F140 HydrophobicContact CZ-CD1 4.32Å; F119-F140 HydrophobicContact CZ-CG 4.33Å |
| 120 | L | 92.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.1 | -29 | -179.7 | -69.5 | 167.4 | 0 | 0 | 0 | 113.5 | A116 I117 L122 V123 G133 F134 M154 I157 L320 | A116-L120 WeakPolarHBondContact O-CG 3.41Å; A116-L120 PolarHBondContact O-N 2.88Å; I117-L120 PolarHBondContact O-N 3.24Å; L120-L122 VanDerWaalsContact C-N 3.32Å; L120-V123 WeakPolarHBondContact O-CB 3.42Å; L120-V123 PolarHBondContact O-N 3.31Å; L120-G133 WeakPolarHBondContact CD2-O 3.17Å; L120-F134 HydrophobicContact CD2-CD1 3.53Å; L120-F134 HydrophobicContact CD2-CE1 3.8Å; L120-M154 HydrophobicContact CD1-CE 4.33Å; L120-M154 HydrophobicContact CD2-CE 4.47Å; L120-I157 HydrophobicContact CD1-CG2 3.95Å; L120-L320 HydrophobicContact CB-CD1 3.99Å; L120-L320 HydrophobicContact CB-CD2 3.71Å; L120-L320 HydrophobicContact CD1-CD2 3.76Å; L120-L320 HydrophobicContact CG-CD2 4.35Å |
| 121 | K | 91.3 | Very high | 91.4 | Very high | 105 Ų | 105 | 33.4 Ų | 33.4 | 46% | 0.457 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -71.5 | -24.5 | 176.6 | -77.2 | 173.5 | 175 | -178.7 | 0 | 113.9 | I117 S118 F119 V123 L320 | I117-K121 HydrophobicContact CG2-CD 4.17Å; I117-K121 HydrophobicContact CG2-CG 4.37Å; I117-K121 VanDerWaalsContact O-CG 3.32Å; I117-K121 WeakPolarHBondContact O-CG 3.1Å; I117-K121 PolarHBondContact O-N 3.32Å; S118-K121 PolarHBondContact O-N 3.23Å; F119-K121 PolarHBondContact O-N 3.27Å; K121-V123 PolarHBondContact O-N 3.34Å; K121-L320 HydrophobicContact CG-CD1 4.13Å |
| 122 | L | 87.9 | Confident | 91.4 | Very high | 142 Ų | 142 | 34.1 Ų | 34.1 | 74% | 0.743 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -6.3 | 178.6 | -62 | 172 | 0 | 0 | 0 | 112.3 | F119 L120 | F119-L122 PolarHBondContact O-N 3.36Å; F119-L122 VanDerWaalsContact O-N 3.14Å; L120-L122 VanDerWaalsContact C-N 3.32Å |
| 123 | V | 85.1 | Confident | 91.3 | Very high | 28 Ų | 28 | 33.7 Ų | 33.7 | 17% | 0.17 | 18% | 0.177 | C | C | . | . | trans | -101.4 | 135.3 | -165.5 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | F119 L120 K121 M129 L130 | F119-V123 WeakPolarHBondContact O-CG2 3.37Å; L120-V123 WeakPolarHBondContact O-CB 3.42Å; L120-V123 PolarHBondContact O-N 3.31Å; K121-V123 PolarHBondContact O-N 3.34Å; V123-M129 HydrophobicContact CG1-CB 4.19Å; V123-M129 WeakPolarHBondContact CG1-O 3.47Å; V123-L130 HydrophobicContact CG1-CD1 4.42Å | ||
| 124 | G | 81.3 | Confident | 91.3 | Very high | 30 Ų | 30 | 30.9 Ų | 30.9 | 31% | 0.309 | 17% | 0.166 | S | C | . | . | trans | -76.2 | -179.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D126 | G124-D126 VanDerWaalsContact C-N 3.34Š| ||
| 125 | S | 83.3 | Confident | 91.4 | Very high | 5 Ų | 5 | 28.9 Ų | 28.9 | 4% | 0.035 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -87.4 | -1.5 | 178.3 | 61.2 | 0 | 0 | 0 | 0 | 114.9 | S309 R312 | S125-S309 VanDerWaalsContact CB-O 3.32Å; S125-S309 WeakPolarHBondContact CB-O 3.38Å; S125-S309 PolarHBondContact OG-N 3.05Å; S125-S309 PolarHBondContact OG-O 2.75Å; S125-R312 PolarHBondContact O-NH1 3.11Å |
| 126 | D | 87.8 | Confident | 91.6 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -69.3 | 130.3 | 176.8 | -174.2 | 33.2 | 0 | 0 | 0 | 110.3 | G124 K128 M129 L130 F306 R307 | G124-D126 VanDerWaalsContact C-N 3.34Å; D126-K128 VanDerWaalsContact C-N 3.27Å; D126-K128 PolarHBondContact O-N 2.82Å; D126-K128 VanDerWaalsContact O-N 3.15Å; D126-K128 IonicContact OD1-NZ 3.81Å; D126-K128 WeakPolarHBondContact OD2-CE 3.22Å; D126-K128 WeakPolarHBondContact OD2-CG 3.48Å; D126-K128 IonicContact OD2-NZ 2.64Å; D126-K128 PolarHBondContact OD2-NZ 2.87Å; D126-M129 HydrophobicContact CB-CB 4.31Å; D126-M129 HydrophobicContact CB-CG 4.16Å; D126-M129 PolarHBondContact O-N 3.39Å; D126-L130 WeakPolarHBondContact O-CB 3.38Å; D126-L130 PolarHBondContact O-N 3.33Å; D126-F306 HydrophobicContact CB-CD2 4.09Å; D126-F306 HydrophobicContact CB-CE2 3.73Å; D126-F306 HydrophobicContact CB-CZ 4.25Å; D126-F306 WeakPolarHBondContact OD2-CD2 3.24Å; D126-F306 WeakPolarHBondContact OD2-CE2 3.37Å; D126-R307 WeakPolarHBondContact CA-O 3.48Å; D126-R307 PolarHBondContact OD1-N 2.96Å |
| 127 | P | 87.8 | Confident | 91.6 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 4% | 0.039 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -51.1 | -41.2 | -175 | -27.6 | 32.2 | 0 | 0 | 0 | 115 | L130 M131 M226 F230 F298 R307 R312 | P127-L130 PolarHBondContact O-N 3.49Å; P127-M131 PolarHBondContact O-N 3.3Å; P127-M226 HydrophobicContact CB-CE 3.57Å; P127-M226 HydrophobicContact CB-SD 4.3Å; P127-M226 HydrophobicContact CG-CE 3.49Å; P127-M226 VanDerWaalsContact CG-CE 3.49Å; P127-M226 HydrophobicContact CG-SD 4.4Å; P127-F230 WeakPolarHBondContact O-CE1 3.31Å; P127-F298 HydrophobicContact CB-CD2 4.44Å; P127-F298 HydrophobicContact CB-CE1 4.41Å; P127-F298 HydrophobicContact CB-CE2 4.17Å; P127-F298 HydrophobicContact CB-CZ 4.16Å; P127-R307 WeakPolarHBondContact CD-O 3.31Å; P127-R312 VanDerWaalsContact CG-NH1 3.34Å |
| 128 | K | 90.6 | Very high | 91.8 | Very high | 28 Ų | 28 | 29 Ų | 29 | 12% | 0.122 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 178.8 | 53.5 | 171.8 | -174.4 | -71.7 | 0 | 112.5 | D126 L132 W290 I294 T305 | D126-K128 VanDerWaalsContact C-N 3.27Å; D126-K128 PolarHBondContact O-N 2.82Å; D126-K128 VanDerWaalsContact O-N 3.15Å; D126-K128 IonicContact OD1-NZ 3.81Å; D126-K128 WeakPolarHBondContact OD2-CE 3.22Å; D126-K128 WeakPolarHBondContact OD2-CG 3.48Å; D126-K128 IonicContact OD2-NZ 2.64Å; D126-K128 PolarHBondContact OD2-NZ 2.87Å; K128-L132 PolarHBondContact O-N 3.3Å; K128-L132 VanDerWaalsContact O-N 3.1Å; K128-W290 PolarHBondContact O-NE1 3.11Å; K128-I294 HydrophobicContact CB-CD1 3.59Å; K128-I294 HydrophobicContact CB-CG1 4.13Å; K128-T305 PolarHBondContact NZ-O 3.27Å |
| 129 | M | 91.7 | Very high | 92 | Very high | 66 Ų | 66 | 27.7 Ų | 27.7 | 33% | 0.325 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -69.9 | -39.5 | 175.6 | -62.3 | -57.8 | -75.7 | 0 | 0 | 110.3 | V123 D126 M131 L132 G133 | V123-M129 HydrophobicContact CG1-CB 4.19Å; V123-M129 WeakPolarHBondContact CG1-O 3.47Å; D126-M129 HydrophobicContact CB-CB 4.31Å; D126-M129 HydrophobicContact CB-CG 4.16Å; D126-M129 PolarHBondContact O-N 3.39Å; M129-M131 PolarHBondContact O-N 3.39Å; M129-L132 HydrophobicContact CE-CD2 4.47Å; M129-L132 CarbonylContact O-C 3.22Å; M129-L132 WeakPolarHBondContact O-CA 3.36Å; M129-L132 WeakPolarHBondContact O-CB 3.41Å; M129-L132 PolarHBondContact O-N 2.87Å; M129-L132 VanDerWaalsContact O-N 3.14Å; M129-G133 PolarHBondContact O-N 2.98Å |
| 130 | L | 92.1 | Very high | 92.2 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 177.1 | -170.7 | 60.6 | 0 | 0 | 0 | 111.8 | V123 D126 P127 L132 G133 F134 L161 F230 L316 | V123-L130 HydrophobicContact CG1-CD1 4.42Å; D126-L130 WeakPolarHBondContact O-CB 3.38Å; D126-L130 PolarHBondContact O-N 3.33Å; P127-L130 PolarHBondContact O-N 3.49Å; L130-L132 PolarHBondContact O-N 3.42Å; L130-G133 WeakPolarHBondContact O-CA 3.2Å; L130-G133 PolarHBondContact O-N 2.66Å; L130-G133 VanDerWaalsContact O-N 3.12Å; L130-F134 HydrophobicContact CD1-CE1 3.73Å; L130-F134 HydrophobicContact CD1-CE2 4.22Å; L130-F134 HydrophobicContact CD1-CZ 3.45Å; L130-F134 VanDerWaalsContact CD1-CZ 3.45Å; L130-F134 HydrophobicContact CD2-CE2 4.27Å; L130-F134 HydrophobicContact CD2-CZ 4.03Å; L130-F134 HydrophobicContact CG-CE1 4.17Å; L130-F134 HydrophobicContact CG-CE2 3.73Å; L130-F134 HydrophobicContact CG-CZ 3.47Å; L130-F134 VanDerWaalsContact CG-CZ 3.47Å; L130-F134 WeakPolarHBondContact O-CG 3.36Å; L130-F134 PolarHBondContact O-N 2.83Å; L130-F134 VanDerWaalsContact O-N 3.08Å; L130-L161 HydrophobicContact CD1-CD2 4.4Å; L130-L161 HydrophobicContact CD2-CD2 4.02Å; L130-F230 HydrophobicContact CB-CE1 4.27Å; L130-F230 HydrophobicContact CB-CZ 4.05Å; L130-F230 HydrophobicContact CD2-CE2 3.76Å; L130-F230 HydrophobicContact CD2-CZ 3.64Å; L130-F230 HydrophobicContact CG-CE1 4.36Å; L130-F230 HydrophobicContact CG-CE2 4.36Å; L130-F230 HydrophobicContact CG-CZ 3.96Å; L130-L316 HydrophobicContact CD1-CD2 3.65Å |
| 131 | M | 95 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.2 | -48.9 | 171.7 | -174 | 174.5 | -85.3 | 0 | 0 | 111 | P127 M129 G133 F134 M135 F230 L293 I294 F298 | P127-M131 PolarHBondContact O-N 3.3Å; M129-M131 PolarHBondContact O-N 3.39Å; M131-G133 PolarHBondContact O-N 2.89Å; M131-F134 PolarHBondContact O-N 3.47Å; M131-M135 HydrophobicContact CG-CG 4.21Å; M131-M135 HydrophobicContact CG-SD 3.82Å; M131-M135 VanDerWaalsContact O-CG 3.27Å; M131-M135 WeakPolarHBondContact O-CG 3.35Å; M131-M135 PolarHBondContact O-N 3.04Å; M131-M135 HydrophobicContact SD-SD 4.39Å; M131-F230 HydrophobicContact CB-CD1 3.88Å; M131-F230 HydrophobicContact CB-CE1 3.77Å; M131-F230 HydrophobicContact CE-CD1 4.1Å; M131-F230 HydrophobicContact CG-CD1 4.29Å; M131-L293 HydrophobicContact CE-CB 3.97Å; M131-L293 HydrophobicContact SD-CB 3.74Å; M131-I294 HydrophobicContact SD-CG1 4.09Å; M131-F298 HydrophobicContact CE-CE2 3.55Å; M131-F298 HydrophobicContact CE-CZ 3.73Å; M131-F298 HydrophobicContact SD-CE2 4.23Å |
| 132 | L | 95.4 | Very high | 92.7 | Very high | 35 Ų | 35 | 23.9 Ų | 23.9 | 18% | 0.183 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.8 | -39.7 | 176.1 | -174.7 | 67.2 | 0 | 0 | 0 | 111.5 | K128 M129 L130 F134 M135 L136 F286 W290 | K128-L132 PolarHBondContact O-N 3.3Å; K128-L132 VanDerWaalsContact O-N 3.1Å; M129-L132 HydrophobicContact CE-CD2 4.47Å; M129-L132 CarbonylContact O-C 3.22Å; M129-L132 WeakPolarHBondContact O-CA 3.36Å; M129-L132 WeakPolarHBondContact O-CB 3.41Å; M129-L132 PolarHBondContact O-N 2.87Å; M129-L132 VanDerWaalsContact O-N 3.14Å; L130-L132 PolarHBondContact O-N 3.42Å; L132-F134 VanDerWaalsContact C-N 3.29Å; L132-F134 PolarHBondContact O-N 3.38Å; L132-M135 PolarHBondContact O-N 3.17Å; L132-L136 VanDerWaalsContact O-CB 3.27Å; L132-L136 WeakPolarHBondContact O-CB 3.42Å; L132-L136 PolarHBondContact O-N 3.06Å; L132-F286 HydrophobicContact CD1-CE1 3.68Å; L132-F286 HydrophobicContact CD1-CZ 3.64Å; L132-W290 HydrophobicContact CB-CZ2 3.95Å; L132-W290 HydrophobicContact CD1-CD2 3.96Å; L132-W290 HydrophobicContact CD1-CE3 4.23Å; L132-W290 HydrophobicContact CD1-CG 4.34Å; L132-W290 HydrophobicContact CD1-CZ2 4.35Å; L132-W290 HydrophobicContact CD2-CH2 4.09Å; L132-W290 HydrophobicContact CD2-CZ2 3.99Å; L132-W290 HydrophobicContact CG-CZ2 4.33Å |
| 133 | G | 94.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.3 | -30.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L120 M129 L130 M131 P137 | L120-G133 WeakPolarHBondContact CD2-O 3.17Å; M129-G133 PolarHBondContact O-N 2.98Å; L130-G133 WeakPolarHBondContact O-CA 3.2Å; L130-G133 PolarHBondContact O-N 2.66Å; L130-G133 VanDerWaalsContact O-N 3.12Å; M131-G133 PolarHBondContact O-N 2.89Å; G133-P137 WeakPolarHBondContact O-CD 3.3Å; G133-P137 WeakPolarHBondContact O-CG 3.41Å |
| 134 | F | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -82.4 | -37.4 | 173 | -56.4 | -25.1 | 0 | 0 | 0 | 111.9 | L120 L130 M131 L132 S138 V158 L161 L162 F230 I234 | L120-F134 HydrophobicContact CD2-CD1 3.53Å; L120-F134 HydrophobicContact CD2-CE1 3.8Å; L130-F134 HydrophobicContact CD1-CE1 3.73Å; L130-F134 HydrophobicContact CD1-CE2 4.22Å; L130-F134 HydrophobicContact CD1-CZ 3.45Å; L130-F134 VanDerWaalsContact CD1-CZ 3.45Å; L130-F134 HydrophobicContact CD2-CE2 4.27Å; L130-F134 HydrophobicContact CD2-CZ 4.03Å; L130-F134 HydrophobicContact CG-CE1 4.17Å; L130-F134 HydrophobicContact CG-CE2 3.73Å; L130-F134 HydrophobicContact CG-CZ 3.47Å; L130-F134 VanDerWaalsContact CG-CZ 3.47Å; L130-F134 WeakPolarHBondContact O-CG 3.36Å; L130-F134 PolarHBondContact O-N 2.83Å; L130-F134 VanDerWaalsContact O-N 3.08Å; M131-F134 PolarHBondContact O-N 3.47Å; L132-F134 VanDerWaalsContact C-N 3.29Å; L132-F134 PolarHBondContact O-N 3.38Å; F134-S138 WeakPolarHBondContact O-CB 3.35Å; F134-S138 PolarHBondContact O-OG 3.09Å; F134-V158 HydrophobicContact CD1-CB 4.43Å; F134-V158 HydrophobicContact CD1-CG1 3.57Å; F134-V158 HydrophobicContact CE1-CB 4.13Å; F134-V158 HydrophobicContact CE1-CG1 3.5Å; F134-V158 VanDerWaalsContact CE1-CG1 3.5Å; F134-V158 HydrophobicContact CG-CG1 4.29Å; F134-V158 HydrophobicContact CZ-CB 4.28Å; F134-V158 HydrophobicContact CZ-CG1 4.14Å; F134-L161 HydrophobicContact CZ-CD2 3.84Å; F134-L162 HydrophobicContact CE2-CD2 4.32Å; F134-F230 HydrophobicContact CD2-CB 3.82Å; F134-F230 AromaticContact CD2-CD1 3.87Å; F134-F230 HydrophobicContact CD2-CD1 3.87Å; F134-F230 HydrophobicContact CD2-CD2 4.42Å; F134-F230 AromaticContact CD2-CG 3.8Å; F134-F230 HydrophobicContact CD2-CG 3.8Å; F134-F230 HydrophobicContact CE2-CB 3.95Å; F134-F230 AromaticContact CE2-CD1 3.92Å; F134-F230 HydrophobicContact CE2-CD1 3.92Å; F134-F230 AromaticContact CE2-CD2 3.77Å; F134-F230 HydrophobicContact CE2-CD2 3.77Å; F134-F230 HydrophobicContact CE2-CE1 4.35Å; F134-F230 HydrophobicContact CE2-CE2 4.17Å; F134-F230 AromaticContact CE2-CG 3.62Å; F134-F230 HydrophobicContact CE2-CG 3.62Å; F134-F230 HydrophobicContact CE2-CZ 4.47Å; F134-I234 HydrophobicContact CB-CD1 4.14Å; F134-I234 HydrophobicContact CB-CG1 3.79Å |
| 135 | M | 97.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -70.5 | -49.2 | -178.4 | -69.2 | -176.8 | 75.2 | 0 | 0 | 112.4 | M131 L132 S138 W139 S233 A237 F286 A289 W290 | M131-M135 HydrophobicContact CG-CG 4.21Å; M131-M135 HydrophobicContact CG-SD 3.82Å; M131-M135 VanDerWaalsContact O-CG 3.27Å; M131-M135 WeakPolarHBondContact O-CG 3.35Å; M131-M135 PolarHBondContact O-N 3.04Å; M131-M135 HydrophobicContact SD-SD 4.39Å; L132-M135 PolarHBondContact O-N 3.17Å; M135-S138 WeakPolarHBondContact O-CB 3.38Å; M135-S138 PolarHBondContact O-N 2.68Å; M135-S138 VanDerWaalsContact O-N 3.09Å; M135-W139 WeakPolarHBondContact O-CB 3.24Å; M135-W139 PolarHBondContact O-N 2.66Å; M135-S233 VanDerWaalsContact CG-CB 3.48Å; M135-A237 HydrophobicContact CB-CB 3.82Å; M135-A237 HydrophobicContact CE-CB 4.21Å; M135-A237 HydrophobicContact CG-CB 4.1Å; M135-A237 WeakPolarHBondContact O-CB 3.33Å; M135-F286 HydrophobicContact CB-CE2 3.59Å; M135-F286 HydrophobicContact CB-CZ 3.98Å; M135-F286 HydrophobicContact CE-CD2 4.38Å; M135-F286 HydrophobicContact CE-CE2 4.4Å; M135-A289 HydrophobicContact CE-CB 3.95Å; M135-W290 HydrophobicContact CE-CB 4.04Å; M135-W290 HydrophobicContact SD-CB 3.81Å; M135-W290 HydrophobicContact SD-CG 4.15Å |
| 136 | L | 97.2 | Very high | 94.2 | Very high | 50 Ų | 50 | 17.9 Ų | 17.9 | 26% | 0.262 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -56.9 | -49.4 | -172.2 | -172.3 | 63.4 | 0 | 0 | 0 | 114.1 | F119 L132 S138 W139 F140 F286 | F119-L136 HydrophobicContact CD1-CD2 3.45Å; F119-L136 VanDerWaalsContact CD1-CD2 3.45Å; F119-L136 HydrophobicContact CD1-CG 3.83Å; F119-L136 HydrophobicContact CE1-CD2 3.67Å; F119-L136 HydrophobicContact CE1-CG 3.91Å; F119-L136 HydrophobicContact CG-CD2 4.39Å; F119-L136 HydrophobicContact CG-CG 4.45Å; L132-L136 VanDerWaalsContact O-CB 3.27Å; L132-L136 WeakPolarHBondContact O-CB 3.42Å; L132-L136 PolarHBondContact O-N 3.06Å; L136-S138 VanDerWaalsContact C-N 3.34Å; L136-W139 HydrophobicContact CD1-CE3 3.92Å; L136-W139 HydrophobicContact CD1-CZ3 4.1Å; L136-F140 WeakPolarHBondContact O-CB 3.4Å; L136-F140 PolarHBondContact O-N 3.05Å; L136-F286 HydrophobicContact CB-CZ 4.17Å; L136-F286 HydrophobicContact CD1-CZ 4.02Å |
| 137 | P | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.6 | -35.9 | 174.9 | 26.5 | -34.3 | 0 | 0 | 0 | 112.3 | A116 F119 G133 L141 M154 | A116-P137 HydrophobicContact CB-CB 4.1Å; F119-P137 HydrophobicContact CB-CB 4.09Å; F119-P137 HydrophobicContact CB-CG 4.22Å; F119-P137 HydrophobicContact CD2-CB 3.93Å; F119-P137 HydrophobicContact CG-CB 4.33Å; G133-P137 WeakPolarHBondContact O-CD 3.3Å; G133-P137 WeakPolarHBondContact O-CG 3.41Å; P137-L141 VanDerWaalsContact O-CB 3.24Å; P137-L141 WeakPolarHBondContact O-CB 3.46Å; P137-L141 VanDerWaalsContact O-CG 3.22Å; P137-L141 WeakPolarHBondContact O-CG 3.42Å; P137-L141 PolarHBondContact O-N 3.43Å; P137-M154 HydrophobicContact CB-CE 4.49Å; P137-M154 HydrophobicContact CB-SD 4.09Å; P137-M154 HydrophobicContact CG-CE 3.64Å; P137-M154 HydrophobicContact CG-SD 3.88Å |
| 138 | S | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 178.4 | -54.7 | 0 | 0 | 0 | 0 | 111.7 | F134 M135 L136 S142 T150 M154 | F134-S138 WeakPolarHBondContact O-CB 3.35Å; F134-S138 PolarHBondContact O-OG 3.09Å; M135-S138 WeakPolarHBondContact O-CB 3.38Å; M135-S138 PolarHBondContact O-N 2.68Å; M135-S138 VanDerWaalsContact O-N 3.09Å; L136-S138 VanDerWaalsContact C-N 3.34Å; S138-S142 WeakPolarHBondContact O-CB 3.47Å; S138-S142 PolarHBondContact O-N 3.08Å; S138-S142 PolarHBondContact O-OG 2.72Å; S138-T150 WeakPolarHBondContact O-CG2 3.3Å; S138-M154 WeakPolarHBondContact OG-CG 3.29Å |
| 139 | W | 98.2 | Very high | 94.9 | Very high | 32 Ų | 32 | 21.1 Ų | 21.1 | 12% | 0.121 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.5 | -52.2 | 175.6 | 170.4 | 78.1 | 0 | 0 | 0 | 111.8 | M135 L136 S142 M143 A237 G241 L279 S282 V283 F286 | M135-W139 WeakPolarHBondContact O-CB 3.24Å; M135-W139 PolarHBondContact O-N 2.66Å; L136-W139 HydrophobicContact CD1-CE3 3.92Å; L136-W139 HydrophobicContact CD1-CZ3 4.1Å; W139-S142 PolarHBondContact O-N 3.33Å; W139-M143 HydrophobicContact CD2-CE 3.65Å; W139-M143 HydrophobicContact CE3-CE 3.85Å; W139-M143 HydrophobicContact CG-CE 4.49Å; W139-M143 HydrophobicContact CH2-CE 3.28Å; W139-M143 HydrophobicContact CZ2-CE 3.01Å; W139-M143 HydrophobicContact CZ3-CE 3.68Å; W139-M143 PolarHBondContact O-N 2.98Å; W139-A237 VanDerWaalsContact CA-O 3.3Å; W139-A237 WeakPolarHBondContact CA-O 3.43Å; W139-A237 HydrophobicContact CB-CB 4.1Å; W139-G241 WeakPolarHBondContact O-CA 3.32Å; W139-L279 HydrophobicContact CZ2-CD1 4.2Å; W139-S282 PolarHBondContact NE1-OG 3.2Å; W139-V283 HydrophobicContact CH2-CG2 3.82Å; W139-V283 HydrophobicContact CZ2-CB 4.45Å; W139-V283 HydrophobicContact CZ2-CG2 3.51Å; W139-F286 HydrophobicContact CB-CD2 3.63Å; W139-F286 HydrophobicContact CB-CE2 3.71Å; W139-F286 AromaticContact CD1-CD2 3.81Å; W139-F286 HydrophobicContact CD2-CD2 4.04Å; W139-F286 HydrophobicContact CD2-CE2 4.39Å; W139-F286 HydrophobicContact CD2-CG 4.42Å; W139-F286 AromaticContact CG-CD2 3.54Å; W139-F286 HydrophobicContact CG-CD2 3.54Å; W139-F286 HydrophobicContact CG-CE2 4Å; W139-F286 HydrophobicContact CG-CG 4.27Å |
| 140 | F | 97.2 | Very high | 95.2 | Very high | 67 Ų | 67 | 18 Ų | 18 | 29% | 0.294 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -64.4 | -45.3 | -176.6 | 178.8 | -101.8 | 0 | 0 | 0 | 112.4 | V115 F119 L136 S142 M143 W144 | V115-F140 HydrophobicContact CG1-CD1 4.24Å; V115-F140 HydrophobicContact CG1-CE1 4.28Å; F119-F140 HydrophobicContact CE2-CB 4.35Å; F119-F140 AromaticContact CE2-CD1 3.91Å; F119-F140 HydrophobicContact CE2-CD1 3.91Å; F119-F140 HydrophobicContact CE2-CG 4.25Å; F119-F140 HydrophobicContact CZ-CD1 4.32Å; F119-F140 HydrophobicContact CZ-CG 4.33Å; L136-F140 WeakPolarHBondContact O-CB 3.4Å; L136-F140 PolarHBondContact O-N 3.05Å; F140-S142 VanDerWaalsContact C-N 3.34Å; F140-S142 PolarHBondContact O-N 3.39Å; F140-M143 HydrophobicContact CD2-SD 4.42Å; F140-M143 WeakPolarHBondContact O-CB 3.37Å; F140-M143 WeakPolarHBondContact O-CG 3.39Å; F140-M143 PolarHBondContact O-N 3.42Å; F140-W144 AromaticContact CE2-NE1 3.79Å; F140-W144 AromaticContact CZ-NE1 3.75Å; F140-W144 PolarHBondContact O-NE1 3.34Å |
| 141 | L | 96.7 | Very high | 95.4 | Very high | 8 Ų | 8 | 17.9 Ų | 17.9 | 4% | 0.042 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.6 | -33.4 | -178.6 | -67.3 | 170.8 | 0 | 0 | 0 | 112 | H112 V115 A116 P137 M143 W144 M145 T150 M153 | H112-L141 HydrophobicContact CB-CD1 4.48Å; H112-L141 HydrophobicContact CB-CD2 4.15Å; V115-L141 HydrophobicContact CB-CD2 4.42Å; V115-L141 HydrophobicContact CG1-CD2 4.14Å; A116-L141 HydrophobicContact CB-CD1 4.16Å; P137-L141 VanDerWaalsContact O-CB 3.24Å; P137-L141 WeakPolarHBondContact O-CB 3.46Å; P137-L141 VanDerWaalsContact O-CG 3.22Å; P137-L141 WeakPolarHBondContact O-CG 3.42Å; P137-L141 PolarHBondContact O-N 3.43Å; L141-M143 PolarHBondContact O-N 3.24Å; L141-W144 PolarHBondContact O-N 2.82Å; L141-W144 VanDerWaalsContact O-N 3.09Å; L141-M145 WeakPolarHBondContact O-CB 3.45Å; L141-M145 PolarHBondContact O-N 3.46Å; L141-T150 HydrophobicContact CB-CG2 3.76Å; L141-M153 HydrophobicContact CD1-CE 3.79Å |
| 142 | S | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -71.2 | -11.9 | 177.6 | -59.1 | 0 | 0 | 0 | 0 | 114 | S138 W139 F140 W144 M145 N147 T150 S238 G242 | S138-S142 WeakPolarHBondContact O-CB 3.47Å; S138-S142 PolarHBondContact O-N 3.08Å; S138-S142 PolarHBondContact O-OG 2.72Å; W139-S142 PolarHBondContact O-N 3.33Å; F140-S142 VanDerWaalsContact C-N 3.34Å; F140-S142 PolarHBondContact O-N 3.39Å; S142-W144 PolarHBondContact O-N 3.14Å; S142-M145 WeakPolarHBondContact CA-O 3.2Å; S142-N147 WeakPolarHBondContact CB-OD1 3.22Å; S142-T150 VanDerWaalsContact OG-CB 3.31Å; S142-T150 WeakPolarHBondContact OG-CB 3.35Å; S142-T150 WeakPolarHBondContact OG-CG2 3.49Å; S142-T150 PolarHBondContact OG-OG1 3.4Å; S142-S238 WeakPolarHBondContact CB-O 3.3Å; S142-S238 VanDerWaalsContact OG-CA 3.31Å; S142-S238 WeakPolarHBondContact OG-CA 3.42Å; S142-S238 WeakPolarHBondContact OG-CB 3.47Å; S142-S238 PolarHBondContact OG-OG 3.1Å; S142-G242 VanDerWaalsContact O-CA 3.29Å; S142-G242 WeakPolarHBondContact O-CA 3.26Å |
| 143 | M | 95.8 | Very high | 95.5 | Very high | 4 Ų | 4 | 18.5 Ų | 18.5 | 2% | 0.02 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.4 | 167.6 | -60.9 | -172.8 | -177.7 | 0 | 0 | 112.8 | W139 F140 L141 G241 A244 T245 L279 | W139-M143 HydrophobicContact CD2-CE 3.65Å; W139-M143 HydrophobicContact CE3-CE 3.85Å; W139-M143 HydrophobicContact CG-CE 4.49Å; W139-M143 HydrophobicContact CH2-CE 3.28Å; W139-M143 HydrophobicContact CZ2-CE 3.01Å; W139-M143 HydrophobicContact CZ3-CE 3.68Å; W139-M143 PolarHBondContact O-N 2.98Å; F140-M143 HydrophobicContact CD2-SD 4.42Å; F140-M143 WeakPolarHBondContact O-CB 3.37Å; F140-M143 WeakPolarHBondContact O-CG 3.39Å; F140-M143 PolarHBondContact O-N 3.42Å; L141-M143 PolarHBondContact O-N 3.24Å; M143-G241 WeakPolarHBondContact CG-O 3.48Å; M143-A244 HydrophobicContact CE-CB 4.09Å; M143-A244 HydrophobicContact CG-CB 3.95Å; M143-A244 HydrophobicContact SD-CB 4.11Å; M143-T245 HydrophobicContact CB-CG2 3.96Å; M143-T245 WeakPolarHBondContact O-CB 3.39Å; M143-T245 WeakPolarHBondContact O-CG2 3.24Å; M143-T245 PolarHBondContact O-OG1 3.5Å; M143-L279 HydrophobicContact CE-CD1 3.59Å; M143-L279 HydrophobicContact SD-CD1 4.11Å |
| 144 | W | 92.9 | Very high | 95.7 | Very high | 23 Ų | 23 | 18.4 Ų | 18.4 | 9% | 0.087 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.7 | -24.8 | -167.4 | -39.6 | 109.4 | 0 | 0 | 0 | 112.7 | F140 L141 S142 T245 F271 M275 F341 T345 | F140-W144 AromaticContact CE2-NE1 3.79Å; F140-W144 AromaticContact CZ-NE1 3.75Å; F140-W144 PolarHBondContact O-NE1 3.34Å; L141-W144 PolarHBondContact O-N 2.82Å; L141-W144 VanDerWaalsContact O-N 3.09Å; S142-W144 PolarHBondContact O-N 3.14Å; W144-T245 HydrophobicContact CE3-CG2 4.12Å; W144-T245 HydrophobicContact CH2-CG2 4.11Å; W144-T245 HydrophobicContact CZ3-CG2 3.83Å; W144-F271 HydrophobicContact CZ3-CZ 4.01Å; W144-M275 HydrophobicContact CH2-CE 3.96Å; W144-M275 HydrophobicContact CH2-SD 4.27Å; W144-M275 HydrophobicContact CZ2-CE 4.47Å; W144-F341 HydrophobicContact CB-CE2 3.93Å; W144-F341 HydrophobicContact CB-CZ 3.64Å; W144-F341 AromaticContact CD1-CZ 3.92Å; W144-F341 HydrophobicContact CD2-CE1 4.33Å; W144-F341 HydrophobicContact CD2-CE2 4.33Å; W144-F341 AromaticContact CD2-CZ 3.47Å; W144-F341 HydrophobicContact CD2-CZ 3.47Å; W144-F341 VanDerWaalsContact CD2-CZ 3.47Å; W144-F341 HydrophobicContact CE3-CE2 4.33Å; W144-F341 AromaticContact CE3-CZ 3.77Å; W144-F341 HydrophobicContact CE3-CZ 3.77Å; W144-F341 HydrophobicContact CG-CE1 4.29Å; W144-F341 HydrophobicContact CG-CE2 4.17Å; W144-F341 AromaticContact CG-CZ 3.4Å; W144-F341 HydrophobicContact CG-CZ 3.4Å; W144-T345 HydrophobicContact CE3-CG2 4.01Å; W144-T345 HydrophobicContact CH2-CG2 3.96Å; W144-T345 HydrophobicContact CZ3-CG2 3.56Å |
| 145 | M | 90.4 | Very high | 95.7 | Very high | 6 Ų | 6 | 18.5 Ų | 18.5 | 3% | 0.03 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -115.9 | 161.8 | 179.6 | -58.8 | -173.8 | 64.1 | 0 | 0 | 110 | A103 E107 H112 L141 S142 N147 | A103-M145 HydrophobicContact CB-CG 4.15Å; E107-M145 HydrophobicContact CB-CE 3.83Å; E107-M145 HydrophobicContact CG-CE 3.9Å; H112-M145 HydrophobicContact CB-CE 4.31Å; H112-M145 HydrophobicContact CB-SD 3.63Å; L141-M145 WeakPolarHBondContact O-CB 3.45Å; L141-M145 PolarHBondContact O-N 3.46Å; S142-M145 WeakPolarHBondContact CA-O 3.2Å; M145-N147 PolarHBondContact O-N 3.48Å |
| 146 | S | 91.3 | Very high | 95.5 | Very high | 45 Ų | 45 | 22 Ų | 22 | 32% | 0.315 | 13% | 0.128 | S | C | . | . | trans | -56.9 | 128.9 | 172.5 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | T148 A149 T150 | S146-T148 PolarHBondContact O-N 3.44Å; S146-T148 PolarHBondContact OG-N 2.87Å; S146-A149 PolarHBondContact O-N 3.35Å; S146-T150 PolarHBondContact O-N 2.87Å; S146-T150 VanDerWaalsContact O-N 3.08Å; S146-T150 PolarHBondContact O-OG1 3.41Å | ||
| 147 | N | 94.8 | Very high | 95.4 | Very high | 16 Ų | 16 | 19.7 Ų | 19.7 | 9% | 0.086 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -48.6 | -36.6 | 175 | -54.6 | -11.3 | 0 | 0 | 0 | 111.8 | S142 M145 T151 S238 G248 P535 | S142-N147 WeakPolarHBondContact CB-OD1 3.22Å; M145-N147 PolarHBondContact O-N 3.48Å; N147-T151 VanDerWaalsContact O-CB 3.29Å; N147-T151 WeakPolarHBondContact O-CB 3.11Å; N147-T151 PolarHBondContact O-N 2.82Å; N147-T151 PolarHBondContact O-OG1 3.09Å; N147-S238 PolarHBondContact OD1-O 3.38Å; N147-G248 PolarHBondContact OD1-O 3.27Å; N147-P535 HydrophobicContact CB-CG 3.68Å |
| 148 | T | 93.1 | Very high | 95.2 | Very high | 53 Ų | 53 | 19.9 Ų | 19.9 | 33% | 0.325 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -63.4 | -50.4 | 177.7 | -46.8 | 0 | 0 | 0 | 0 | 111.9 | S146 T151 A152 P534 I538 | S146-T148 PolarHBondContact O-N 3.44Å; S146-T148 PolarHBondContact OG-N 2.87Å; T148-T151 PolarHBondContact O-N 2.7Å; T148-A152 WeakPolarHBondContact O-CB 3.37Å; T148-A152 PolarHBondContact O-N 2.93Å; T148-P534 HydrophobicContact CG2-CB 3.76Å; T148-P534 VanDerWaalsContact OG1-CB 3.27Å; T148-P534 WeakPolarHBondContact OG1-CB 3.33Å; T148-I538 HydrophobicContact CG2-CD1 3.74Å; T148-I538 WeakPolarHBondContact O-CD1 3.34Å |
| 149 | A | 93.2 | Very high | 94.9 | Very high | 35 Ų | 35 | 20.9 Ų | 20.9 | 29% | 0.289 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -65.7 | -42.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111 | S146 M153 | S146-A149 PolarHBondContact O-N 3.35Å; A149-M153 WeakPolarHBondContact O-CB 3.42Å; A149-M153 PolarHBondContact O-N 3.4Å |
| 150 | T | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.2 | -47.3 | 175.6 | -58 | 0 | 0 | 0 | 0 | 111.5 | S138 L141 S142 S146 M153 M154 | S138-T150 WeakPolarHBondContact O-CG2 3.3Å; L141-T150 HydrophobicContact CB-CG2 3.76Å; S142-T150 VanDerWaalsContact OG-CB 3.31Å; S142-T150 WeakPolarHBondContact OG-CB 3.35Å; S142-T150 WeakPolarHBondContact OG-CG2 3.49Å; S142-T150 PolarHBondContact OG-OG1 3.4Å; S146-T150 PolarHBondContact O-N 2.87Å; S146-T150 VanDerWaalsContact O-N 3.08Å; S146-T150 PolarHBondContact O-OG1 3.41Å; T150-M153 PolarHBondContact O-N 2.71Å; T150-M154 HydrophobicContact CG2-CG 4.49Å; T150-M154 WeakPolarHBondContact O-CB 3.31Å; T150-M154 WeakPolarHBondContact O-CG 3.38Å; T150-M154 PolarHBondContact O-N 3.32Å |
| 151 | T | 97.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65 | -46.7 | -179.9 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | N147 T148 M153 M154 I155 I234 S238 P535 I538 V539 | N147-T151 VanDerWaalsContact O-CB 3.29Å; N147-T151 WeakPolarHBondContact O-CB 3.11Å; N147-T151 PolarHBondContact O-N 2.82Å; N147-T151 PolarHBondContact O-OG1 3.09Å; T148-T151 PolarHBondContact O-N 2.7Å; T151-M153 PolarHBondContact O-N 3.18Å; T151-M154 PolarHBondContact O-N 3.18Å; T151-I155 HydrophobicContact CG2-CG1 4.2Å; T151-I155 VanDerWaalsContact O-CB 3.32Å; T151-I155 WeakPolarHBondContact O-CB 3.5Å; T151-I155 VanDerWaalsContact O-CG1 3.24Å; T151-I155 WeakPolarHBondContact O-CG1 3.34Å; T151-I155 PolarHBondContact O-N 3.15Å; T151-I234 HydrophobicContact CG2-CG2 3.99Å; T151-S238 VanDerWaalsContact OG1-CB 3.27Å; T151-S238 WeakPolarHBondContact OG1-CB 3.38Å; T151-S238 PolarHBondContact OG1-OG 3.06Å; T151-P535 HydrophobicContact CG2-CB 4.11Å; T151-P535 WeakPolarHBondContact OG1-CB 3.49Å; T151-I538 HydrophobicContact CG2-CB 4.14Å; T151-I538 HydrophobicContact CG2-CD1 4.28Å; T151-I538 HydrophobicContact CG2-CG2 4.03Å; T151-V539 HydrophobicContact CG2-CG1 4.13Å |
| 152 | A | 96.7 | Very high | 93.9 | Very high | 39 Ų | 39 | 19.3 Ų | 19.3 | 32% | 0.322 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -57.7 | -49.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | T148 I155 T156 I538 | T148-A152 WeakPolarHBondContact O-CB 3.37Å; T148-A152 PolarHBondContact O-N 2.93Å; A152-I155 PolarHBondContact O-N 3.33Å; A152-T156 WeakPolarHBondContact O-CG2 3.48Å; A152-T156 PolarHBondContact O-N 3.18Å; A152-I538 HydrophobicContact CB-CD1 4.03Å |
| 153 | M | 96 | Very high | 93.4 | Very high | 9 Ų | 9 | 22.3 Ų | 22.3 | 4% | 0.044 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -57.8 | -52.9 | 176.1 | 168.6 | -173.1 | 35.4 | 0 | 0 | 111.6 | H112 R113 L141 A149 T150 T151 I155 T156 I157 | H112-M153 HydrophobicContact CB-CE 4.35Å; H112-M153 HydrophobicContact CB-SD 4.45Å; H112-M153 VanDerWaalsContact CD2-CE 3.45Å; H112-M153 WeakPolarHBondContact CD2-CE 3.39Å; H112-M153 PolarHBondContact CD2-SD 2.9Å; R113-M153 HydrophobicContact CB-SD 4.41Å; R113-M153 HydrophobicContact CG-CG 4.19Å; R113-M153 HydrophobicContact CG-SD 3.59Å; R113-M153 VanDerWaalsContact CG-SD 3.59Å; L141-M153 HydrophobicContact CD1-CE 3.79Å; A149-M153 WeakPolarHBondContact O-CB 3.42Å; A149-M153 PolarHBondContact O-N 3.4Å; T150-M153 PolarHBondContact O-N 2.71Å; T151-M153 PolarHBondContact O-N 3.18Å; M153-I155 VanDerWaalsContact C-N 3.3Å; M153-I155 PolarHBondContact O-N 3.16Å; M153-T156 PolarHBondContact O-N 3.49Å; M153-T156 VanDerWaalsContact O-N 3.08Å; M153-T156 PolarHBondContact O-OG1 2.71Å; M153-I157 HydrophobicContact CG-CD1 3.89Å; M153-I157 WeakPolarHBondContact O-CG1 3.32Å; M153-I157 PolarHBondContact O-N 3.02Å |
| 154 | M | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.5 | -44.3 | -176.2 | -78.5 | -61 | -52.5 | 0 | 0 | 111.1 | A116 L120 P137 S138 T150 T151 T156 I157 V158 I234 | A116-M154 HydrophobicContact CB-SD 3.83Å; L120-M154 HydrophobicContact CD1-CE 4.33Å; L120-M154 HydrophobicContact CD2-CE 4.47Å; P137-M154 HydrophobicContact CB-CE 4.49Å; P137-M154 HydrophobicContact CB-SD 4.09Å; P137-M154 HydrophobicContact CG-CE 3.64Å; P137-M154 HydrophobicContact CG-SD 3.88Å; S138-M154 WeakPolarHBondContact OG-CG 3.29Å; T150-M154 HydrophobicContact CG2-CG 4.49Å; T150-M154 WeakPolarHBondContact O-CB 3.31Å; T150-M154 WeakPolarHBondContact O-CG 3.38Å; T150-M154 PolarHBondContact O-N 3.32Å; T151-M154 PolarHBondContact O-N 3.18Å; M154-T156 VanDerWaalsContact C-N 3.35Å; M154-T156 PolarHBondContact O-N 3.08Å; M154-I157 PolarHBondContact O-N 3.29Å; M154-I157 VanDerWaalsContact O-N 3.17Å; M154-V158 HydrophobicContact CE-CG1 4.28Å; M154-V158 WeakPolarHBondContact O-CG2 3.45Å; M154-V158 PolarHBondContact O-N 2.82Å; M154-I234 HydrophobicContact CB-CD1 4.4Å; M154-I234 HydrophobicContact CB-CG2 3.8Å |
| 155 | I | 96.3 | Very high | 92 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.5 | -45.4 | 174.2 | -70.2 | -68.1 | 0 | 0 | 0 | 110.9 | T151 A152 M153 I157 V158 D159 I234 I538 V539 K542 | T151-I155 HydrophobicContact CG2-CG1 4.2Å; T151-I155 VanDerWaalsContact O-CB 3.32Å; T151-I155 WeakPolarHBondContact O-CB 3.5Å; T151-I155 VanDerWaalsContact O-CG1 3.24Å; T151-I155 WeakPolarHBondContact O-CG1 3.34Å; T151-I155 PolarHBondContact O-N 3.15Å; A152-I155 PolarHBondContact O-N 3.33Å; M153-I155 VanDerWaalsContact C-N 3.3Å; M153-I155 PolarHBondContact O-N 3.16Å; I155-I157 VanDerWaalsContact C-N 3.28Å; I155-I157 PolarHBondContact O-N 3.39Å; I155-V158 PolarHBondContact O-N 3.14Å; I155-D159 WeakPolarHBondContact O-CA 3.42Å; I155-D159 WeakPolarHBondContact O-CB 3.34Å; I155-D159 PolarHBondContact O-N 3.36Å; I155-I234 HydrophobicContact CD1-CD1 3.72Å; I155-I234 HydrophobicContact CD1-CG2 4.47Å; I155-I234 HydrophobicContact CG1-CD1 4.4Å; I155-I234 HydrophobicContact CG1-CG2 4.31Å; I155-I538 HydrophobicContact CB-CG2 4.41Å; I155-I538 HydrophobicContact CG1-CG2 4.19Å; I155-V539 HydrophobicContact CD1-CG1 3.82Å; I155-V539 HydrophobicContact CG1-CG1 4.11Å; I155-K542 HydrophobicContact CG2-CD 4.19Å; I155-K542 HydrophobicContact CG2-CG 4.1Å |
| 156 | T | 94.1 | Very high | 91 | Very high | 73 Ų | 73 | 24.7 Ų | 24.7 | 45% | 0.448 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.5 | -33.1 | 177.3 | 61 | 0 | 0 | 0 | 0 | 114.2 | A152 M153 M154 | A152-T156 WeakPolarHBondContact O-CG2 3.48Å; A152-T156 PolarHBondContact O-N 3.18Å; M153-T156 PolarHBondContact O-N 3.49Å; M153-T156 VanDerWaalsContact O-N 3.08Å; M153-T156 PolarHBondContact O-OG1 2.71Å; M154-T156 VanDerWaalsContact C-N 3.35Å; M154-T156 PolarHBondContact O-N 3.08Å |
| 157 | I | 93.5 | Very high | 89.7 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -73.4 | -42.9 | 179.7 | -68.5 | 169.5 | 0 | 0 | 0 | 110.6 | A116 L120 M153 M154 I155 I319 E323 | A116-I157 HydrophobicContact CB-CD1 4.5Å; L120-I157 HydrophobicContact CD1-CG2 3.95Å; M153-I157 HydrophobicContact CG-CD1 3.89Å; M153-I157 WeakPolarHBondContact O-CG1 3.32Å; M153-I157 PolarHBondContact O-N 3.02Å; M154-I157 PolarHBondContact O-N 3.29Å; M154-I157 VanDerWaalsContact O-N 3.17Å; I155-I157 VanDerWaalsContact C-N 3.28Å; I155-I157 PolarHBondContact O-N 3.39Å; I157-I319 WeakPolarHBondContact O-CG2 3.17Å; I157-E323 HydrophobicContact CG2-CG 4.49Å |
| 158 | V | 92.9 | Very high | 87.6 | Confident | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.018 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -93.7 | -15.5 | -172.6 | -51.6 | 0 | 0 | 0 | 0 | 113.4 | F134 M154 I155 P160 L161 L162 I234 | F134-V158 HydrophobicContact CD1-CB 4.43Å; F134-V158 HydrophobicContact CD1-CG1 3.57Å; F134-V158 HydrophobicContact CE1-CB 4.13Å; F134-V158 HydrophobicContact CE1-CG1 3.5Å; F134-V158 VanDerWaalsContact CE1-CG1 3.5Å; F134-V158 HydrophobicContact CG-CG1 4.29Å; F134-V158 HydrophobicContact CZ-CB 4.28Å; F134-V158 HydrophobicContact CZ-CG1 4.14Å; M154-V158 HydrophobicContact CE-CG1 4.28Å; M154-V158 WeakPolarHBondContact O-CG2 3.45Å; M154-V158 PolarHBondContact O-N 2.82Å; I155-V158 PolarHBondContact O-N 3.14Å; V158-P160 VanDerWaalsContact C-N 3.32Å; V158-L161 WeakPolarHBondContact O-CA 3.28Å; V158-L161 WeakPolarHBondContact O-CB 3.46Å; V158-L161 PolarHBondContact O-N 2.91Å; V158-L162 HydrophobicContact CB-CG 4.45Å; V158-L162 HydrophobicContact CG2-CD1 3.63Å; V158-L162 HydrophobicContact CG2-CG 3.99Å; V158-L162 WeakPolarHBondContact O-CG 3.4Å; V158-L162 PolarHBondContact O-N 3.36Å; V158-I234 HydrophobicContact CG2-CD1 3.65Å |
| 159 | D | 93.5 | Very high | 85.3 | Confident | 21 Ų | 21 | 34.9 Ų | 34.9 | 11% | 0.112 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -51 | -42.9 | -177.6 | -138.9 | 34.5 | 0 | 0 | 0 | 113.8 | I155 L161 L162 N163 K542 R544 | I155-D159 WeakPolarHBondContact O-CA 3.42Å; I155-D159 WeakPolarHBondContact O-CB 3.34Å; I155-D159 PolarHBondContact O-N 3.36Å; D159-L161 VanDerWaalsContact C-N 3.25Å; D159-L161 PolarHBondContact O-N 2.89Å; D159-L162 PolarHBondContact O-N 3.24Å; D159-L162 VanDerWaalsContact O-N 3.08Å; D159-N163 WeakPolarHBondContact O-CB 3.37Å; D159-N163 VanDerWaalsContact O-CG 3.28Å; D159-N163 PolarHBondContact O-N 3.14Å; D159-N163 PolarHBondContact O-ND2 3.49Å; D159-K542 IonicContact OD1-NZ 3.53Å; D159-K542 WeakPolarHBondContact OD2-CE 3.41Å; D159-K542 IonicContact OD2-NZ 3.61Å; D159-K542 PolarHBondContact OD2-NZ 3.31Å; D159-R544 IonicContact OD1-CZ 3.25Å; D159-R544 VanDerWaalsContact OD1-CZ 3.25Å; D159-R544 IonicContact OD1-NH1 2.82Å; D159-R544 PolarHBondContact OD1-NH1 2.85Å; D159-R544 IonicContact OD1-NH2 2.81Å; D159-R544 PolarHBondContact OD1-NH2 3.02Å |
| 160 | P | 91.6 | Very high | 82.6 | Confident | 72 Ų | 72 | 40.8 Ų | 40.8 | 47% | 0.468 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.2 | -37.6 | 177.5 | -24.9 | 35.4 | 0 | 0 | 0 | 112.6 | V158 D164 I319 | V158-P160 VanDerWaalsContact C-N 3.32Å; P160-D164 WeakPolarHBondContact O-CB 3.43Å; P160-D164 PolarHBondContact O-N 3.4Å; P160-I319 HydrophobicContact CB-CD1 3.98Å; P160-I319 HydrophobicContact CB-CG1 4.31Å |
| 161 | L | 89.3 | Confident | 79.5 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.2 | -41.9 | 174.5 | -171.8 | 69.3 | 0 | 0 | 0 | 110.9 | L130 F134 V158 D159 D164 L165 R315 L316 I319 | L130-L161 HydrophobicContact CD1-CD2 4.4Å; L130-L161 HydrophobicContact CD2-CD2 4.02Å; F134-L161 HydrophobicContact CZ-CD2 3.84Å; V158-L161 WeakPolarHBondContact O-CA 3.28Å; V158-L161 WeakPolarHBondContact O-CB 3.46Å; V158-L161 PolarHBondContact O-N 2.91Å; D159-L161 VanDerWaalsContact C-N 3.25Å; D159-L161 PolarHBondContact O-N 2.89Å; L161-D164 PolarHBondContact O-N 3.22Å; L161-L165 WeakPolarHBondContact O-CG 3.26Å; L161-L165 PolarHBondContact O-N 2.7Å; L161-R315 HydrophobicContact CD1-CB 3.94Å; L161-L316 HydrophobicContact CD2-CB 4.49Å; L161-L316 HydrophobicContact CD2-CD1 4.19Å; L161-I319 HydrophobicContact CB-CD1 3.58Å; L161-I319 HydrophobicContact CD1-CD1 4.26Å; L161-I319 HydrophobicContact CG-CD1 4.48Å |
| 162 | L | 89.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.1 | -36.7 | -176.8 | -65.2 | -174.1 | 0 | 0 | 0 | 113.2 | F134 V158 D159 L165 S227 F230 R544 | F134-L162 HydrophobicContact CE2-CD2 4.32Å; V158-L162 HydrophobicContact CB-CG 4.45Å; V158-L162 HydrophobicContact CG2-CD1 3.63Å; V158-L162 HydrophobicContact CG2-CG 3.99Å; V158-L162 WeakPolarHBondContact O-CG 3.4Å; V158-L162 PolarHBondContact O-N 3.36Å; D159-L162 PolarHBondContact O-N 3.24Å; D159-L162 VanDerWaalsContact O-N 3.08Å; L162-L165 HydrophobicContact CD2-CD1 4.34Å; L162-L165 WeakPolarHBondContact O-CB 3.19Å; L162-L165 PolarHBondContact O-N 2.96Å; L162-S227 PolarHBondContact O-OG 3.06Å; L162-F230 HydrophobicContact CD2-CB 3.58Å; L162-F230 HydrophobicContact CD2-CD2 3.48Å; L162-F230 VanDerWaalsContact CD2-CD2 3.48Å; L162-F230 HydrophobicContact CD2-CG 4Å; L162-R544 VanDerWaalsContact CD1-CZ 3.44Å; L162-R544 VanDerWaalsContact CD1-NH2 3.32Å |
| 163 | N | 86.7 | Confident | 73.2 | Confident | 63 Ų | 63 | 57 Ų | 57 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -72.6 | -33.2 | 177.8 | -68.4 | -16.5 | 0 | 0 | 0 | 111.5 | D159 L165 V166 K167 R544 | D159-N163 WeakPolarHBondContact O-CB 3.37Å; D159-N163 VanDerWaalsContact O-CG 3.28Å; D159-N163 PolarHBondContact O-N 3.14Å; D159-N163 PolarHBondContact O-ND2 3.49Å; N163-L165 PolarHBondContact O-N 3.38Å; N163-V166 CarbonylContact O-C 3.6Å; N163-V166 WeakPolarHBondContact O-CA 3.49Å; N163-V166 WeakPolarHBondContact O-CB 3.46Å; N163-V166 PolarHBondContact O-N 2.94Å; N163-K167 WeakPolarHBondContact O-CG 3.42Å; N163-K167 PolarHBondContact O-N 2.84Å; N163-R544 PolarHBondContact OD1-NH1 3.38Å |
| 164 | D | 81.4 | Confident | 70.1 | Confident | 36 Ų | 36 | 63.6 Ų | 63.6 | 19% | 0.193 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.9 | -21.9 | 173.9 | 168.2 | 72 | 0 | 0 | 0 | 113.1 | P160 L161 V166 R315 | P160-D164 WeakPolarHBondContact O-CB 3.43Å; P160-D164 PolarHBondContact O-N 3.4Å; L161-D164 PolarHBondContact O-N 3.22Å; D164-V166 VanDerWaalsContact C-N 3.28Å; D164-R315 IonicContact OD1-CZ 2.87Å; D164-R315 IonicContact OD1-NE 3.68Å; D164-R315 IonicContact OD1-NH1 2.9Å; D164-R315 PolarHBondContact OD1-NH1 3.36Å; D164-R315 IonicContact OD1-NH2 2.74Å; D164-R315 PolarHBondContact OD1-NH2 3.09Å; D164-R315 WeakPolarHBondContact OD2-CD 3.4Å; D164-R315 IonicContact OD2-CZ 2.97Å; D164-R315 IonicContact OD2-NE 3.35Å; D164-R315 PolarHBondContact OD2-NE 2.97Å; D164-R315 IonicContact OD2-NH1 2.54Å; D164-R315 PolarHBondContact OD2-NH1 3.09Å; D164-R315 IonicContact OD2-NH2 3.71Å |
| 165 | L | 76.8 | Confident | 66.8 | Low | 6 Ų | 6 | 72.5 Ų | 72.5 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -23 | 165.9 | -59.5 | 171.2 | 0 | 0 | 0 | 112.1 | L161 L162 N163 L223 M226 F230 | L161-L165 WeakPolarHBondContact O-CG 3.26Å; L161-L165 PolarHBondContact O-N 2.7Å; L162-L165 HydrophobicContact CD2-CD1 4.34Å; L162-L165 WeakPolarHBondContact O-CB 3.19Å; L162-L165 PolarHBondContact O-N 2.96Å; N163-L165 PolarHBondContact O-N 3.38Å; L165-L223 HydrophobicContact CB-CB 4.31Å; L165-L223 HydrophobicContact CD2-CD2 3.94Å; L165-L223 WeakPolarHBondContact O-CB 3.35Å; L165-M226 HydrophobicContact CD1-CG 4.07Å; L165-M226 HydrophobicContact CD1-SD 4.26Å; L165-F230 HydrophobicContact CD1-CD2 3.97Å; L165-F230 HydrophobicContact CD1-CE2 3.83Å |
| 166 | V | 70.9 | Confident | 63.5 | Low | 41 Ų | 41 | 79.5 Ų | 79.5 | 25% | 0.248 | 42% | 0.418 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -35.2 | -179.7 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | N163 D164 V168 Q220 | N163-V166 CarbonylContact O-C 3.6Å; N163-V166 WeakPolarHBondContact O-CA 3.49Å; N163-V166 WeakPolarHBondContact O-CB 3.46Å; N163-V166 PolarHBondContact O-N 2.94Å; D164-V166 VanDerWaalsContact C-N 3.28Å; V166-V168 PolarHBondContact O-N 3.01Å; V166-Q220 PolarHBondContact O-NE2 3.01Å |
| 167 | K | 62.7 | Low | 60.3 | Low | 146 Ų | 146 | 83.4 Ų | 83.4 | 64% | 0.635 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -69.8 | 9 | -173.8 | -76.8 | -169.7 | 174.2 | -157 | 0 | 117 | N163 E169 | N163-K167 WeakPolarHBondContact O-CG 3.42Å; N163-K167 PolarHBondContact O-N 2.84Å; K167-E169 PolarHBondContact O-N 3.18Å; K167-E169 VanDerWaalsContact O-N 3.09Å |
| 168 | V | 51.3 | Low | 57.1 | Low | 62 Ų | 62 | 91 Ų | 91 | 38% | 0.376 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -76.9 | 16.3 | 171.6 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | V166 Q220 L223 | V166-V168 PolarHBondContact O-N 3.01Å; V168-Q220 VanDerWaalsContact CB-OE1 3.24Å; V168-L223 HydrophobicContact CB-CD1 4.25Å; V168-L223 HydrophobicContact CG2-CD1 4.01Å |
| 169 | E | 45.6 | Very low | 54 | Low | 121 Ų | 121 | 96.2 Ų | 96.2 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -89.7 | -29.8 | 174.1 | -116.9 | 159.4 | -153.4 | 0 | 0 | 114.4 | K167 Q220 | K167-E169 PolarHBondContact O-N 3.18Å; K167-E169 VanDerWaalsContact O-N 3.09Å; E169-Q220 HydrophobicContact CG-CG 4.24Å |
| 170 | E | 35.1 | Very low | 50.8 | Low | 159 Ų | 159 | 103 Ų | 103 | 74% | 0.743 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -105.6 | 17.1 | -161.6 | -66.6 | 176.6 | 170.5 | 0 | 0 | 115.2 | ||
| 171 | G | 31.3 | Very low | 47.6 | Very low | 65 Ų | 65 | 107.9 Ų | 107.9 | 67% | 0.67 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -96.1 | -15.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 172 | D | 31.4 | Very low | 44.6 | Very low | 135 Ų | 135 | 115.1 Ų | 115.1 | 72% | 0.722 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -123.6 | 13.4 | -167.5 | -68.9 | -23 | 0 | 0 | 0 | 114 | ||
| 173 | E | 30.4 | Very low | 41.5 | Very low | 178 Ų | 178 | 122.9 Ų | 122.9 | 83% | 0.832 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -97.7 | -12.8 | 171.4 | -71.3 | -167.1 | 169 | 0 | 0 | 114.1 | ||
| 174 | D | 30.5 | Very low | 38.4 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 80% | 0.797 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -107.5 | 59.5 | 178.3 | -67.2 | -32 | 0 | 0 | 0 | 111.9 | ||
| 175 | E | 28.8 | Very low | 35.6 | Very low | 186 Ų | 186 | 129.3 Ų | 129.3 | 87% | 0.869 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -161.7 | 27.9 | 161 | -114.7 | 174.9 | -139.2 | 0 | 0 | 114.4 | ||
| 176 | H | 25.8 | Very low | 33.3 | Very low | 149 Ų | 149 | 135 Ų | 135 | 69% | 0.69 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -129.5 | 50.4 | 168.8 | -87.2 | -41 | 0 | 0 | 0 | 111.9 | H209 | H176-H209 AromaticContact NE2-CE1 3.83Š|
| 177 | D | 27.4 | Very low | 30.9 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -151.9 | 79.4 | 155.8 | -98.6 | -24.2 | 0 | 0 | 0 | 107 | ||
| 178 | D | 27.4 | Very low | 29.1 | Very low | 162 Ų | 162 | 141.9 Ų | 141.9 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -179.3 | 141.2 | 144.3 | -90.6 | -25.6 | 0 | 0 | 0 | 110.1 | ||
| 179 | S | 27.8 | Very low | 28 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | trans | 87.3 | 52.4 | 174 | 78.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 180 | N | 24.7 | Very low | 26.9 | Very low | 163 Ų | 163 | 148.2 Ų | 148.2 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -116.5 | 47.9 | 144.8 | -91.2 | -25.7 | 0 | 0 | 0 | 110.5 | ||||
| 181 | E | 26.2 | Very low | 26.3 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -96.2 | 95.1 | 159.2 | -96.5 | -177.1 | 164.1 | 0 | 0 | 109.1 | N183 | E181-N183 PolarHBondContact O-N 3.05Š| ||
| 182 | L | 25.2 | Very low | 26 | Very low | 154 Ų | 154 | 153.9 Ų | 153.9 | 81% | 0.806 | 83% | 0.825 | S | S | * | * | trans | -56.2 | 92.8 | 163.9 | -83.1 | 121.1 | 0 | 0 | 0 | 110 | L184 | L182-L184 PolarHBondContact O-N 3.48Š| ||
| 183 | N | 24.6 | Very low | 25.6 | Very low | 163 Ų | 163 | 154.9 Ų | 154.9 | 87% | 0.872 | 83% | 0.831 | S | S | * | * | trans | -78.1 | 82.7 | 161.4 | -84.6 | -44.8 | 0 | 0 | 0 | 109.5 | E181 | E181-N183 PolarHBondContact O-N 3.05Š| ||
| 184 | L | 21.1 | Very low | 25.3 | Very low | 164 Ų | 164 | 149.6 Ų | 149.6 | 86% | 0.859 | 82% | 0.823 | S | S | * | * | trans | -83.3 | 109.1 | 165.4 | -170.4 | 76.8 | 0 | 0 | 0 | 108.8 | L182 | L182-L184 PolarHBondContact O-N 3.48Š| ||
| 185 | G | 22.6 | Very low | 24.9 | Very low | 70 Ų | 70 | 151.1 Ų | 151.1 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | trans | 108 | 101.4 | 152.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 186 | S | 28.6 | Very low | 24.7 | Very low | 125 Ų | 125 | 149.8 Ų | 149.8 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | -168.2 | 120.8 | 126.9 | 48.7 | 0 | 0 | 0 | 0 | 111 | |||||
| 187 | V | 21.3 | Very low | 24.6 | Very low | 136 Ų | 136 | 152.4 Ų | 152.4 | 82% | 0.824 | 84% | 0.835 | S | S | * | * | trans | -67.4 | 137.9 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 188 | K | 24.7 | Very low | 24.3 | Very low | 197 Ų | 197 | 152.7 Ų | 152.7 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | -177.4 | 152.9 | 121.7 | -97.2 | 176.1 | -174.4 | -179 | 0 | 112.6 | |||||
| 189 | P | 26.5 | Very low | 24.1 | Very low | 114 Ų | 114 | 150.7 Ų | 150.7 | 74% | 0.74 | 82% | 0.824 | S | S | * | * | trans | -109.7 | 144.8 | -150.5 | 37.7 | -27.1 | 0 | 0 | 0 | 113.7 | ||||
| 190 | E | 24.5 | Very low | 23.7 | Very low | 202 Ų | 202 | 151.4 Ų | 151.4 | 94% | 0.944 | 83% | 0.829 | S | S | * | * | trans | -128.2 | 120.7 | 156.9 | -76.4 | -170.6 | 162.2 | 0 | 0 | 110 | ||||
| 191 | M | 20.5 | Very low | 23.5 | Very low | 186 Ų | 186 | 150 Ų | 150 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | -69.3 | 127.4 | 172.6 | -74.8 | -179.1 | -87.8 | 0 | 0 | 109.7 | ||||
| 192 | N | 26.1 | Very low | 23.5 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | trans | -153.9 | 148.1 | 136.3 | -124 | -20.6 | 0 | 0 | 0 | 112.9 | ||||
| 193 | N | 23.1 | Very low | 23.4 | Very low | 156 Ų | 156 | 148 Ų | 148 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | trans | -64.1 | 149.2 | -161.3 | -69.3 | -44.6 | 0 | 0 | 0 | 116 | ||||
| 194 | G | 24.1 | Very low | 23.6 | Very low | 66 Ų | 66 | 150.5 Ų | 150.5 | 68% | 0.68 | 83% | 0.826 | S | S | * | * | trans | 106.7 | 105.5 | 131.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 195 | Q | 22.6 | Very low | 23.8 | Very low | 182 Ų | 182 | 145.4 Ų | 145.4 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | 58.7 | 101.5 | 137.3 | -63.8 | 171.4 | -18.2 | 0 | 0 | 117.4 | ||||
| 196 | D | 23 | Very low | 24.2 | Very low | 158 Ų | 158 | 151 Ų | 151 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | 176.6 | 131.8 | 102.9 | -89.9 | -26.1 | 0 | 0 | 0 | 113.9 | |||||
| 197 | F | 24.6 | Very low | 24.1 | Very low | 204 Ų | 204 | 152.9 Ų | 152.9 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | 65.7 | 100 | 145.3 | -132.5 | -108.6 | 0 | 0 | 0 | 122.8 | ||||
| 198 | Q | 21 | Very low | 24.5 | Very low | 161 Ų | 161 | 154.5 Ų | 154.5 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | -48.7 | 156.7 | 147 | -70.3 | 178.9 | -4.4 | 0 | 0 | 112.9 | ||||
| 199 | V | 23.2 | Very low | 24.8 | Very low | 120 Ų | 120 | 150.5 Ų | 150.5 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | cis | -165.9 | 138.6 | 1.7 | 140.8 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 200 | S | 19.5 | Very low | 25.7 | Very low | 126 Ų | 126 | 150.5 Ų | 150.5 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | trans | -132.8 | 117.6 | 162.8 | -76.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 201 | N | 21.6 | Very low | 27 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | trans | -156.3 | 110.1 | 174.1 | -137.9 | 3.8 | 0 | 0 | 0 | 108.9 | ||||
| 202 | T | 25.9 | Very low | 28.5 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 87% | 0.871 | 75% | 0.745 | S | S | * | * | trans | -164 | 116.8 | 146 | 24.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 203 | N | 22.8 | Very low | 29.5 | Very low | 146 Ų | 146 | 137.2 Ų | 137.2 | 78% | 0.781 | 74% | 0.736 | S | S | * | * | trans | -68.8 | 134.2 | 173.7 | -64.8 | -39.5 | 0 | 0 | 0 | 111.9 | ||||
| 204 | F | 27.6 | Very low | 31.5 | Very low | 214 Ų | 214 | 132.5 Ų | 132.5 | 94% | 0.939 | 72% | 0.715 | S | S | * | * | trans | -136.5 | 113.7 | 154.6 | -109 | -84.6 | 0 | 0 | 0 | 109.3 | ||||
| 205 | G | 27.1 | Very low | 33.3 | Very low | 57 Ų | 57 | 135.1 Ų | 135.1 | 59% | 0.588 | 71% | 0.71 | S | S | * | * | trans | -89.8 | 149.9 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116 | H207 | G205-H207 PolarHBondContact O-N 3.13Š| ||
| 206 | Q | 30 | Very low | 35.4 | Very low | 189 Ų | 189 | 129.6 Ų | 129.6 | 88% | 0.883 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 58.8 | 1.2 | 138.9 | -71.7 | -177.1 | -15.9 | 0 | 0 | 122.9 | ||
| 207 | H | 27.2 | Very low | 37.9 | Very low | 164 Ų | 164 | 125.8 Ų | 125.8 | 76% | 0.759 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -85.9 | -10.7 | 168.9 | -85.6 | -67.2 | 0 | 0 | 0 | 115.4 | G205 V211 | G205-H207 PolarHBondContact O-N 3.13Å; H207-V211 WeakPolarHBondContact O-CG2 3.46Å |
| 208 | H | 28.8 | Very low | 40.6 | Very low | 169 Ų | 169 | 120.5 Ų | 120.5 | 78% | 0.782 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -78.9 | -28.2 | -176.4 | -87.1 | -86.6 | 0 | 0 | 0 | 114.6 | A212 | H208-A212 VanDerWaalsContact O-CB 3.22Å; H208-A212 WeakPolarHBondContact O-CB 3.43Å; H208-A212 PolarHBondContact O-N 2.88Å |
| 209 | H | 31.1 | Very low | 43.4 | Very low | 113 Ų | 113 | 118.1 Ų | 118.1 | 52% | 0.523 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -76.7 | -36.1 | -171.8 | -114.3 | -74.6 | 0 | 0 | 0 | 114.4 | H176 K213 | H176-H209 AromaticContact NE2-CE1 3.83Å; H209-K213 WeakPolarHBondContact O-CB 3.2Å; H209-K213 WeakPolarHBondContact O-CG 3.41Å; H209-K213 PolarHBondContact O-N 3.04Å; H209-K213 VanDerWaalsContact O-N 3.1Å |
| 210 | V | 46.4 | Very low | 46 | Very low | 114 Ų | 114 | 113 Ų | 113 | 69% | 0.691 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -73.9 | -40 | 178.8 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | S214 | V210-S214 WeakPolarHBondContact O-CB 3.18Å; V210-S214 PolarHBondContact O-N 3.25Å; V210-S214 PolarHBondContact O-OG 3.26Å |
| 211 | V | 50.2 | Low | 49 | Very low | 72 Ų | 72 | 109.9 Ų | 109.9 | 44% | 0.436 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64 | -48.9 | 176.4 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | H207 K213 S214 E215 | H207-V211 WeakPolarHBondContact O-CG2 3.46Å; V211-K213 PolarHBondContact O-N 3.16Å; V211-S214 PolarHBondContact O-N 2.86Å; V211-S214 VanDerWaalsContact O-N 3.15Å; V211-S214 PolarHBondContact O-OG 3.38Å; V211-E215 HydrophobicContact CG1-CG 4.33Å; V211-E215 WeakPolarHBondContact O-CG 3.44Å; V211-E215 PolarHBondContact O-N 3.45Å |
| 212 | A | 52 | Low | 52.1 | Low | 45 Ų | 45 | 109.1 Ų | 109.1 | 37% | 0.372 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -58.1 | -47.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H208 S214 E215 V216 | H208-A212 VanDerWaalsContact O-CB 3.22Å; H208-A212 WeakPolarHBondContact O-CB 3.43Å; H208-A212 PolarHBondContact O-N 2.88Å; A212-S214 VanDerWaalsContact C-N 3.31Å; A212-S214 PolarHBondContact O-N 2.96Å; A212-E215 PolarHBondContact O-N 3.31Å; A212-V216 WeakPolarHBondContact O-CB 3.32Å; A212-V216 VanDerWaalsContact O-CG2 3.27Å; A212-V216 WeakPolarHBondContact O-CG2 3.08Å; A212-V216 PolarHBondContact O-N 3.09Å |
| 213 | K | 48.4 | Very low | 55 | Low | 149 Ų | 149 | 104.4 Ų | 104.4 | 65% | 0.648 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59 | -40.4 | 176 | -77 | -176.2 | 177.5 | -173.5 | 0 | 112.5 | H209 V211 S217 | H209-K213 WeakPolarHBondContact O-CB 3.2Å; H209-K213 WeakPolarHBondContact O-CG 3.41Å; H209-K213 PolarHBondContact O-N 3.04Å; H209-K213 VanDerWaalsContact O-N 3.1Å; V211-K213 PolarHBondContact O-N 3.16Å; K213-S217 VanDerWaalsContact O-CB 3.3Å; K213-S217 WeakPolarHBondContact O-CB 3.46Å; K213-S217 PolarHBondContact O-N 3.31Å |
| 214 | S | 63.8 | Low | 58.2 | Low | 57 Ų | 57 | 99.5 Ų | 99.5 | 40% | 0.399 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -69.3 | -35.5 | 178.1 | 78.1 | 0 | 0 | 0 | 0 | 113.1 | V210 V211 A212 N218 | V210-S214 WeakPolarHBondContact O-CB 3.18Å; V210-S214 PolarHBondContact O-N 3.25Å; V210-S214 PolarHBondContact O-OG 3.26Å; V211-S214 PolarHBondContact O-N 2.86Å; V211-S214 VanDerWaalsContact O-N 3.15Å; V211-S214 PolarHBondContact O-OG 3.38Å; A212-S214 VanDerWaalsContact C-N 3.31Å; A212-S214 PolarHBondContact O-N 2.96Å; S214-N218 WeakPolarHBondContact O-CB 3.24Å; S214-N218 PolarHBondContact O-N 2.9Å; S214-N218 VanDerWaalsContact O-N 3.11Å; S214-N218 PolarHBondContact O-ND2 3.03Å |
| 215 | E | 62.9 | Low | 61.2 | Low | 121 Ų | 121 | 94.5 Ų | 94.5 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.1 | -47 | 177.5 | -74.1 | -178.5 | 173.7 | 0 | 0 | 111.2 | V211 A212 S217 N218 E219 | V211-E215 HydrophobicContact CG1-CG 4.33Å; V211-E215 WeakPolarHBondContact O-CG 3.44Å; V211-E215 PolarHBondContact O-N 3.45Å; A212-E215 PolarHBondContact O-N 3.31Å; E215-S217 PolarHBondContact O-N 3Å; E215-N218 PolarHBondContact O-N 3.14Å; E215-N218 VanDerWaalsContact O-N 3.16Å; E215-E219 WeakPolarHBondContact O-CG 3.33Å; E215-E219 PolarHBondContact O-N 3.33Å |
| 216 | V | 67.3 | Low | 64.2 | Low | 67 Ų | 67 | 92.6 Ų | 92.6 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 176 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | A212 N218 E219 Q220 | A212-V216 WeakPolarHBondContact O-CB 3.32Å; A212-V216 VanDerWaalsContact O-CG2 3.27Å; A212-V216 WeakPolarHBondContact O-CG2 3.08Å; A212-V216 PolarHBondContact O-N 3.09Å; V216-N218 VanDerWaalsContact C-N 3.31Å; V216-N218 PolarHBondContact O-N 2.73Å; V216-E219 PolarHBondContact O-N 3.22Å; V216-Q220 WeakPolarHBondContact O-CB 3.17Å; V216-Q220 PolarHBondContact O-N 3.17Å |
| 217 | S | 75.5 | Confident | 67.2 | Low | 78 Ų | 78 | 83.6 Ų | 83.6 | 55% | 0.545 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.2 | -40.2 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 112.7 | K213 E215 S221 | K213-S217 VanDerWaalsContact O-CB 3.3Å; K213-S217 WeakPolarHBondContact O-CB 3.46Å; K213-S217 PolarHBondContact O-N 3.31Å; E215-S217 PolarHBondContact O-N 3Å; S217-S221 VanDerWaalsContact O-CB 3.32Å; S217-S221 WeakPolarHBondContact O-CB 3.29Å; S217-S221 PolarHBondContact O-N 2.85Å |
| 218 | N | 80.2 | Confident | 70.4 | Confident | 92 Ų | 92 | 76.4 Ų | 76.4 | 49% | 0.492 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -70.2 | -38.3 | 177.7 | -84.1 | -40.1 | 0 | 0 | 0 | 113.1 | S214 E215 V216 K222 | S214-N218 WeakPolarHBondContact O-CB 3.24Å; S214-N218 PolarHBondContact O-N 2.9Å; S214-N218 VanDerWaalsContact O-N 3.11Å; S214-N218 PolarHBondContact O-ND2 3.03Å; E215-N218 PolarHBondContact O-N 3.14Å; E215-N218 VanDerWaalsContact O-N 3.16Å; V216-N218 VanDerWaalsContact C-N 3.31Å; V216-N218 PolarHBondContact O-N 2.73Å; N218-K222 WeakPolarHBondContact O-CD 3.27Å; N218-K222 VanDerWaalsContact O-CG 3.25Å; N218-K222 WeakPolarHBondContact O-CG 3.31Å; N218-K222 PolarHBondContact O-N 2.93Å |
| 219 | E | 79.2 | Confident | 73.6 | Confident | 112 Ų | 112 | 68.3 Ų | 68.3 | 52% | 0.523 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.6 | -45.9 | 174.9 | -66.8 | -139.9 | 131.3 | 0 | 0 | 111.4 | E215 V216 S221 K222 L223 | E215-E219 WeakPolarHBondContact O-CG 3.33Å; E215-E219 PolarHBondContact O-N 3.33Å; V216-E219 PolarHBondContact O-N 3.22Å; E219-S221 PolarHBondContact O-N 3Å; E219-K222 WeakPolarHBondContact O-CB 3.45Å; E219-K222 PolarHBondContact O-N 3.45Å; E219-K222 VanDerWaalsContact O-N 3.1Å; E219-L223 WeakPolarHBondContact O-CG 3.32Å; E219-L223 PolarHBondContact O-N 3.48Å |
| 220 | Q | 78.3 | Confident | 76.6 | Confident | 12 Ų | 12 | 63 Ų | 63 | 6% | 0.056 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 177.9 | -179.8 | 58.5 | 6.6 | 0 | 0 | 111.9 | V166 V168 E169 V216 K222 L223 N224 | V166-Q220 PolarHBondContact O-NE2 3.01Å; V168-Q220 VanDerWaalsContact CB-OE1 3.24Å; E169-Q220 HydrophobicContact CG-CG 4.24Å; V216-Q220 WeakPolarHBondContact O-CB 3.17Å; V216-Q220 PolarHBondContact O-N 3.17Å; Q220-K222 VanDerWaalsContact C-N 3.29Å; Q220-K222 PolarHBondContact O-N 3.45Å; Q220-L223 PolarHBondContact O-N 2.93Å; Q220-L223 VanDerWaalsContact O-N 3.17Å; Q220-N224 PolarHBondContact NE2-ND2 3.28Å; Q220-N224 WeakPolarHBondContact O-CB 3.33Å; Q220-N224 PolarHBondContact O-N 3.12Å |
| 221 | S | 83.9 | Confident | 79 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 42% | 0.42 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.1 | -39 | 173.8 | -178.9 | 0 | 0 | 0 | 0 | 112.7 | S217 E219 R225 | S217-S221 VanDerWaalsContact O-CB 3.32Å; S217-S221 WeakPolarHBondContact O-CB 3.29Å; S217-S221 PolarHBondContact O-N 2.85Å; E219-S221 PolarHBondContact O-N 3Å; S221-R225 WeakPolarHBondContact O-CB 3.31Å; S221-R225 VanDerWaalsContact O-CG 3.29Å; S221-R225 WeakPolarHBondContact O-CG 3.42Å; S221-R225 PolarHBondContact O-N 3.38Å |
| 222 | K | 85.4 | Confident | 81.3 | Confident | 118 Ų | 118 | 54.1 Ų | 54.1 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 175.8 | -71.4 | 164.8 | -172.1 | 166.6 | 0 | 112 | N218 E219 Q220 M226 | N218-K222 WeakPolarHBondContact O-CD 3.27Å; N218-K222 VanDerWaalsContact O-CG 3.25Å; N218-K222 WeakPolarHBondContact O-CG 3.31Å; N218-K222 PolarHBondContact O-N 2.93Å; E219-K222 WeakPolarHBondContact O-CB 3.45Å; E219-K222 PolarHBondContact O-N 3.45Å; E219-K222 VanDerWaalsContact O-N 3.1Å; Q220-K222 VanDerWaalsContact C-N 3.29Å; Q220-K222 PolarHBondContact O-N 3.45Å; K222-M226 WeakPolarHBondContact O-CB 3.33Å; K222-M226 PolarHBondContact O-N 2.85Å |
| 223 | L | 87.2 | Confident | 83.4 | Confident | 43 Ų | 43 | 52 Ų | 52 | 23% | 0.225 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.5 | -40.7 | 178.9 | -63.2 | 173.3 | 0 | 0 | 0 | 111.9 | L165 V168 E219 Q220 M226 S227 | L165-L223 HydrophobicContact CB-CB 4.31Å; L165-L223 HydrophobicContact CD2-CD2 3.94Å; L165-L223 WeakPolarHBondContact O-CB 3.35Å; V168-L223 HydrophobicContact CB-CD1 4.25Å; V168-L223 HydrophobicContact CG2-CD1 4.01Å; E219-L223 WeakPolarHBondContact O-CG 3.32Å; E219-L223 PolarHBondContact O-N 3.48Å; Q220-L223 PolarHBondContact O-N 2.93Å; Q220-L223 VanDerWaalsContact O-N 3.17Å; L223-M226 WeakPolarHBondContact O-CA 3.46Å; L223-M226 WeakPolarHBondContact O-CB 3.29Å; L223-M226 PolarHBondContact O-N 3.35Å; L223-M226 VanDerWaalsContact O-N 3.09Å; L223-S227 PolarHBondContact O-N 3.01Å |
| 224 | N | 88.9 | Confident | 85.8 | Confident | 43 Ų | 43 | 44.9 Ų | 44.9 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -46.2 | 173.7 | -78.5 | -19.1 | 0 | 0 | 0 | 111.9 | Q220 M226 S227 I228 | Q220-N224 PolarHBondContact NE2-ND2 3.28Å; Q220-N224 WeakPolarHBondContact O-CB 3.33Å; Q220-N224 PolarHBondContact O-N 3.12Å; N224-M226 PolarHBondContact O-N 3.31Å; N224-S227 PolarHBondContact O-N 2.84Å; N224-I228 VanDerWaalsContact O-CG1 3.3Å; N224-I228 WeakPolarHBondContact O-CG1 3.33Å; N224-I228 PolarHBondContact O-N 3.43Å |
| 225 | R | 90.6 | Very high | 87.4 | Confident | 109 Ų | 109 | 42.1 Ų | 42.1 | 41% | 0.411 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.4 | -36.5 | 173.1 | -75 | 178.1 | 67.6 | -172.2 | 1.6 | 112.2 | S221 G229 L296 F297 | S221-R225 WeakPolarHBondContact O-CB 3.31Å; S221-R225 VanDerWaalsContact O-CG 3.29Å; S221-R225 WeakPolarHBondContact O-CG 3.42Å; S221-R225 PolarHBondContact O-N 3.38Å; R225-G229 PolarHBondContact O-N 2.86Å; R225-L296 PolarHBondContact NH2-O 3.28Å; R225-F297 VanDerWaalsContact O-CD1 3.27Å; R225-F297 WeakPolarHBondContact O-CD1 3.37Å |
| 226 | M | 90.8 | Very high | 89.1 | Confident | 17 Ų | 17 | 36.4 Ų | 36.4 | 8% | 0.084 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.2 | -45.3 | 177.4 | 178.2 | 172.5 | -60 | 0 | 0 | 112.7 | P127 L165 K222 L223 N224 I228 G229 F230 F298 | P127-M226 HydrophobicContact CB-CE 3.57Å; P127-M226 HydrophobicContact CB-SD 4.3Å; P127-M226 HydrophobicContact CG-CE 3.49Å; P127-M226 VanDerWaalsContact CG-CE 3.49Å; P127-M226 HydrophobicContact CG-SD 4.4Å; L165-M226 HydrophobicContact CD1-CG 4.07Å; L165-M226 HydrophobicContact CD1-SD 4.26Å; K222-M226 WeakPolarHBondContact O-CB 3.33Å; K222-M226 PolarHBondContact O-N 2.85Å; L223-M226 WeakPolarHBondContact O-CA 3.46Å; L223-M226 WeakPolarHBondContact O-CB 3.29Å; L223-M226 PolarHBondContact O-N 3.35Å; L223-M226 VanDerWaalsContact O-N 3.09Å; N224-M226 PolarHBondContact O-N 3.31Å; M226-I228 VanDerWaalsContact C-N 3.31Å; M226-I228 PolarHBondContact O-N 3.49Å; M226-G229 PolarHBondContact O-N 3.27Å; M226-F230 HydrophobicContact CG-CD2 3.74Å; M226-F230 HydrophobicContact CG-CE1 4.25Å; M226-F230 HydrophobicContact CG-CE2 3.16Å; M226-F230 HydrophobicContact CG-CZ 3.44Å; M226-F230 VanDerWaalsContact CG-CZ 3.44Å; M226-F230 WeakPolarHBondContact O-CD2 3.48Å; M226-F230 WeakPolarHBondContact O-CG 3.29Å; M226-F230 PolarHBondContact O-N 3.42Å; M226-F230 HydrophobicContact SD-CE2 3.61Å; M226-F230 HydrophobicContact SD-CZ 3.7Å; M226-F298 HydrophobicContact CB-CE1 3.72Å; M226-F298 HydrophobicContact CE-CD1 4.14Å; M226-F298 HydrophobicContact CE-CE1 3.74Å; M226-F298 HydrophobicContact CE-CZ 4.45Å; M226-F298 HydrophobicContact CG-CE1 3.6Å; M226-F298 HydrophobicContact CG-CZ 4.02Å; M226-F298 HydrophobicContact SD-CE1 4.44Å |
| 227 | S | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.6 | -39.8 | 176.9 | -166.8 | 0 | 0 | 0 | 0 | 112 | L162 L223 N224 S231 R544 | L162-S227 PolarHBondContact O-OG 3.06Å; L223-S227 PolarHBondContact O-N 3.01Å; N224-S227 PolarHBondContact O-N 2.84Å; S227-S231 WeakPolarHBondContact O-CB 3.46Å; S227-S231 PolarHBondContact O-N 3.45Å; S227-S231 PolarHBondContact O-OG 3.39Å; S227-R544 WeakPolarHBondContact OG-CD 3.32Å |
| 228 | I | 94.5 | Very high | 91.6 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 7% | 0.067 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.6 | -50.6 | 173.3 | -64.8 | 164.1 | 0 | 0 | 0 | 110.6 | N224 M226 F230 S231 L232 F297 R544 V545 H549 | N224-I228 VanDerWaalsContact O-CG1 3.3Å; N224-I228 WeakPolarHBondContact O-CG1 3.33Å; N224-I228 PolarHBondContact O-N 3.43Å; M226-I228 VanDerWaalsContact C-N 3.31Å; M226-I228 PolarHBondContact O-N 3.49Å; I228-F230 VanDerWaalsContact C-N 3.35Å; I228-F230 PolarHBondContact O-N 2.92Å; I228-S231 PolarHBondContact O-N 3.32Å; I228-L232 HydrophobicContact CG2-CD1 4.05Å; I228-L232 PolarHBondContact O-N 3.4Å; I228-F297 HydrophobicContact CB-CD1 4.47Å; I228-F297 HydrophobicContact CB-CE1 4.08Å; I228-F297 HydrophobicContact CG2-CD1 4.29Å; I228-F297 HydrophobicContact CG2-CE1 3.46Å; I228-F297 VanDerWaalsContact CG2-CE1 3.46Å; I228-F297 HydrophobicContact CG2-CZ 3.83Å; I228-R544 VanDerWaalsContact CG1-O 3.3Å; I228-R544 WeakPolarHBondContact CG1-O 3.12Å; I228-V545 HydrophobicContact CG2-CG2 4.32Å; I228-H549 HydrophobicContact CG2-CB 3.93Å |
| 229 | G | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R225 M226 S231 L232 S233 | R225-G229 PolarHBondContact O-N 2.86Å; M226-G229 PolarHBondContact O-N 3.27Å; G229-S231 PolarHBondContact O-N 2.97Å; G229-L232 PolarHBondContact O-N 2.83Å; G229-S233 VanDerWaalsContact O-CB 3.31Å; G229-S233 WeakPolarHBondContact O-CB 3.38Å; G229-S233 PolarHBondContact O-N 3.47Å |
| 230 | F | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 175.7 | -68.3 | -30.5 | 0 | 0 | 0 | 112.8 | P127 L130 M131 F134 L162 L165 M226 I228 S233 I234 F298 | P127-F230 WeakPolarHBondContact O-CE1 3.31Å; L130-F230 HydrophobicContact CB-CE1 4.27Å; L130-F230 HydrophobicContact CB-CZ 4.05Å; L130-F230 HydrophobicContact CD2-CE2 3.76Å; L130-F230 HydrophobicContact CD2-CZ 3.64Å; L130-F230 HydrophobicContact CG-CE1 4.36Å; L130-F230 HydrophobicContact CG-CE2 4.36Å; L130-F230 HydrophobicContact CG-CZ 3.96Å; M131-F230 HydrophobicContact CB-CD1 3.88Å; M131-F230 HydrophobicContact CB-CE1 3.77Å; M131-F230 HydrophobicContact CE-CD1 4.1Å; M131-F230 HydrophobicContact CG-CD1 4.29Å; F134-F230 HydrophobicContact CD2-CB 3.82Å; F134-F230 AromaticContact CD2-CD1 3.87Å; F134-F230 HydrophobicContact CD2-CD1 3.87Å; F134-F230 HydrophobicContact CD2-CD2 4.42Å; F134-F230 AromaticContact CD2-CG 3.8Å; F134-F230 HydrophobicContact CD2-CG 3.8Å; F134-F230 HydrophobicContact CE2-CB 3.95Å; F134-F230 AromaticContact CE2-CD1 3.92Å; F134-F230 HydrophobicContact CE2-CD1 3.92Å; F134-F230 AromaticContact CE2-CD2 3.77Å; F134-F230 HydrophobicContact CE2-CD2 3.77Å; F134-F230 HydrophobicContact CE2-CE1 4.35Å; F134-F230 HydrophobicContact CE2-CE2 4.17Å; F134-F230 AromaticContact CE2-CG 3.62Å; F134-F230 HydrophobicContact CE2-CG 3.62Å; F134-F230 HydrophobicContact CE2-CZ 4.47Å; L162-F230 HydrophobicContact CD2-CB 3.58Å; L162-F230 HydrophobicContact CD2-CD2 3.48Å; L162-F230 VanDerWaalsContact CD2-CD2 3.48Å; L162-F230 HydrophobicContact CD2-CG 4Å; L165-F230 HydrophobicContact CD1-CD2 3.97Å; L165-F230 HydrophobicContact CD1-CE2 3.83Å; M226-F230 HydrophobicContact CG-CD2 3.74Å; M226-F230 HydrophobicContact CG-CE1 4.25Å; M226-F230 HydrophobicContact CG-CE2 3.16Å; M226-F230 HydrophobicContact CG-CZ 3.44Å; M226-F230 VanDerWaalsContact CG-CZ 3.44Å; M226-F230 WeakPolarHBondContact O-CD2 3.48Å; M226-F230 WeakPolarHBondContact O-CG 3.29Å; M226-F230 PolarHBondContact O-N 3.42Å; M226-F230 HydrophobicContact SD-CE2 3.61Å; M226-F230 HydrophobicContact SD-CZ 3.7Å; I228-F230 VanDerWaalsContact C-N 3.35Å; I228-F230 PolarHBondContact O-N 2.92Å; F230-S233 PolarHBondContact O-N 2.71Å; F230-S233 PolarHBondContact O-OG 2.91Å; F230-I234 PolarHBondContact O-N 3.45Å; F230-F298 HydrophobicContact CD1-CZ 4.28Å; F230-F298 HydrophobicContact CE1-CE2 4.34Å; F230-F298 AromaticContact CE1-CZ 3.72Å; F230-F298 HydrophobicContact CE1-CZ 3.72Å; F230-F298 HydrophobicContact CZ-CZ 4.15Å |
| 231 | S | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.7 | -49.8 | 178.5 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | S227 I228 G229 S233 I234 A235 V539 R544 | S227-S231 WeakPolarHBondContact O-CB 3.46Å; S227-S231 PolarHBondContact O-N 3.45Å; S227-S231 PolarHBondContact O-OG 3.39Å; I228-S231 PolarHBondContact O-N 3.32Å; G229-S231 PolarHBondContact O-N 2.97Å; S231-S233 VanDerWaalsContact C-N 3.27Å; S231-S233 PolarHBondContact O-N 3.31Å; S231-I234 PolarHBondContact O-N 3.36Å; S231-A235 PolarHBondContact O-N 3.13Å; S231-V539 WeakPolarHBondContact O-CG1 3.49Å; S231-R544 WeakPolarHBondContact OG-CD 3.23Å; S231-R544 PolarHBondContact OG-NE 3.42Å |
| 232 | L | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.2 | -36.5 | 177.2 | -69.2 | 175.8 | 0 | 0 | 0 | 112.2 | I228 G229 I234 A235 Y236 L293 F297 V539 V545 H549 M550 A553 | I228-L232 HydrophobicContact CG2-CD1 4.05Å; I228-L232 PolarHBondContact O-N 3.4Å; G229-L232 PolarHBondContact O-N 2.83Å; L232-I234 VanDerWaalsContact C-N 3.26Å; L232-I234 PolarHBondContact O-N 3.45Å; L232-A235 PolarHBondContact O-N 2.83Å; L232-Y236 HydrophobicContact CD2-CE1 4.39Å; L232-Y236 WeakPolarHBondContact O-CB 3.39Å; L232-Y236 WeakPolarHBondContact O-CD1 3.45Å; L232-Y236 PolarHBondContact O-N 3.48Å; L232-L293 HydrophobicContact CB-CD2 4.42Å; L232-F297 HydrophobicContact CD1-CE2 3.81Å; L232-F297 HydrophobicContact CD1-CZ 3.51Å; L232-V539 HydrophobicContact CD2-CG2 4.38Å; L232-V545 HydrophobicContact CD2-CG1 3.84Å; L232-V545 HydrophobicContact CG-CG1 4.25Å; L232-H549 HydrophobicContact CD1-CB 4.49Å; L232-M550 HydrophobicContact CD2-CE 4.39Å; L232-M550 HydrophobicContact CD2-CG 4Å; L232-A553 HydrophobicContact CD1-CB 4.14Å |
| 233 | S | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -59.4 | -37.7 | 178.2 | 81 | 0 | 0 | 0 | 0 | 112.6 | M135 G229 F230 S231 A237 L293 | M135-S233 VanDerWaalsContact CG-CB 3.48Å; G229-S233 VanDerWaalsContact O-CB 3.31Å; G229-S233 WeakPolarHBondContact O-CB 3.38Å; G229-S233 PolarHBondContact O-N 3.47Å; F230-S233 PolarHBondContact O-N 2.71Å; F230-S233 PolarHBondContact O-OG 2.91Å; S231-S233 VanDerWaalsContact C-N 3.27Å; S231-S233 PolarHBondContact O-N 3.31Å; S233-A237 WeakPolarHBondContact O-CB 3.37Å; S233-A237 PolarHBondContact O-N 2.94Å; S233-L293 VanDerWaalsContact CA-CD1 3.48Å |
| 234 | I | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -66.7 | -50.6 | 176.4 | -67 | 167.6 | 0 | 0 | 0 | 110.2 | F134 T151 M154 I155 V158 F230 S231 L232 Y236 A237 S238 | F134-I234 HydrophobicContact CB-CD1 4.14Å; F134-I234 HydrophobicContact CB-CG1 3.79Å; T151-I234 HydrophobicContact CG2-CG2 3.99Å; M154-I234 HydrophobicContact CB-CD1 4.4Å; M154-I234 HydrophobicContact CB-CG2 3.8Å; I155-I234 HydrophobicContact CD1-CD1 3.72Å; I155-I234 HydrophobicContact CD1-CG2 4.47Å; I155-I234 HydrophobicContact CG1-CD1 4.4Å; I155-I234 HydrophobicContact CG1-CG2 4.31Å; V158-I234 HydrophobicContact CG2-CD1 3.65Å; F230-I234 PolarHBondContact O-N 3.45Å; S231-I234 PolarHBondContact O-N 3.36Å; L232-I234 VanDerWaalsContact C-N 3.26Å; L232-I234 PolarHBondContact O-N 3.45Å; I234-Y236 VanDerWaalsContact C-N 3.34Å; I234-Y236 PolarHBondContact O-N 3.02Å; I234-A237 PolarHBondContact O-N 2.88Å; I234-S238 PolarHBondContact O-N 3Å; I234-S238 PolarHBondContact O-OG 3.5Å; I234-S238 VanDerWaalsContact O-OG 3.06Å |
| 235 | A | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S231 L232 S238 S239 P535 V539 | S231-A235 PolarHBondContact O-N 3.13Å; L232-A235 PolarHBondContact O-N 2.83Å; A235-S238 PolarHBondContact O-N 3.42Å; A235-S239 PolarHBondContact O-N 3Å; A235-S239 VanDerWaalsContact O-N 3.13Å; A235-S239 PolarHBondContact O-OG 2.95Å; A235-P535 HydrophobicContact CB-CB 3.99Å; A235-V539 HydrophobicContact CB-CG1 3.93Å; A235-V539 HydrophobicContact CB-CG2 3.91Å |
| 236 | Y | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 1.5 Ų | 1.5 | 0% | 0 | 1% | 0.008 | C | C | . | . | H | α-helix | trans | -67.8 | -45.3 | -178.7 | -74 | 16.3 | 0 | 0 | 0 | 110.8 | L232 I234 S238 S239 I240 L293 F527 M550 A553 G554 M557 | L232-Y236 HydrophobicContact CD2-CE1 4.39Å; L232-Y236 WeakPolarHBondContact O-CB 3.39Å; L232-Y236 WeakPolarHBondContact O-CD1 3.45Å; L232-Y236 PolarHBondContact O-N 3.48Å; I234-Y236 VanDerWaalsContact C-N 3.34Å; I234-Y236 PolarHBondContact O-N 3.02Å; Y236-S238 VanDerWaalsContact C-N 3.31Å; Y236-S238 PolarHBondContact O-N 3.05Å; Y236-S239 PolarHBondContact O-N 3.29Å; Y236-I240 WeakPolarHBondContact O-CB 3.5Å; Y236-I240 WeakPolarHBondContact O-CD1 3.5Å; Y236-I240 WeakPolarHBondContact O-CG1 3.4Å; Y236-I240 PolarHBondContact O-N 3.43Å; Y236-L293 HydrophobicContact CD2-CD1 4.11Å; Y236-L293 HydrophobicContact CD2-CD2 4.29Å; Y236-L293 HydrophobicContact CD2-CG 4.49Å; Y236-L293 HydrophobicContact CE2-CD2 4.17Å; Y236-F527 HydrophobicContact CD1-CB 4.25Å; Y236-F527 AromaticContact CD1-CD1 3.51Å; Y236-F527 HydrophobicContact CD1-CD1 3.51Å; Y236-F527 HydrophobicContact CD1-CE1 4.25Å; Y236-F527 HydrophobicContact CD1-CG 4.21Å; Y236-F527 HydrophobicContact CD2-CD1 4.27Å; Y236-F527 HydrophobicContact CE1-CB 3.66Å; Y236-F527 AromaticContact CE1-CD1 3.84Å; Y236-F527 HydrophobicContact CE1-CD1 3.84Å; Y236-F527 HydrophobicContact CE1-CG 4.12Å; Y236-F527 WeakPolarHBondContact CE1-O 3.34Å; Y236-F527 HydrophobicContact CE2-CB 4.18Å; Y236-F527 HydrophobicContact CE2-CG 4.44Å; Y236-F527 AromaticContact CG-CD1 3.75Å; Y236-F527 HydrophobicContact CG-CD1 3.75Å; Y236-F527 HydrophobicContact CG-CE1 4.15Å; Y236-F527 HydrophobicContact CG-CG 4.42Å; Y236-F527 PolarHBondContact OH-O 3.13Å; Y236-M550 PolarHBondContact OH-O 3.2Å; Y236-A553 HydrophobicContact CE2-CB 4.06Å; Y236-A553 WeakPolarHBondContact OH-CB 3.35Å; Y236-G554 WeakPolarHBondContact OH-CA 3.35Å; Y236-G554 PolarHBondContact OH-N 3.46Å; Y236-M557 HydrophobicContact CD2-CG 4.25Å; Y236-M557 HydrophobicContact CE2-CG 4Å |
| 237 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 1 Ų | 1 | 0% | 0 | 1% | 0.005 | C | C | . | . | H | α-helix | trans | -58.8 | -42.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | M135 W139 S233 I234 I240 G241 | M135-A237 HydrophobicContact CB-CB 3.82Å; M135-A237 HydrophobicContact CE-CB 4.21Å; M135-A237 HydrophobicContact CG-CB 4.1Å; M135-A237 WeakPolarHBondContact O-CB 3.33Å; W139-A237 VanDerWaalsContact CA-O 3.3Å; W139-A237 WeakPolarHBondContact CA-O 3.43Å; W139-A237 HydrophobicContact CB-CB 4.1Å; S233-A237 WeakPolarHBondContact O-CB 3.37Å; S233-A237 PolarHBondContact O-N 2.94Å; I234-A237 PolarHBondContact O-N 2.88Å; A237-I240 PolarHBondContact O-N 2.93Å; A237-G241 PolarHBondContact O-N 3.47Å |
| 238 | S | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 1.1 Ų | 1.1 | 0% | 0 | 1% | 0.007 | C | C | . | . | H | α-helix | trans | -60.4 | -49.6 | 176.7 | -64 | 0 | 0 | 0 | 0 | 112.3 | S142 N147 T151 I234 A235 Y236 I240 G241 G242 | S142-S238 WeakPolarHBondContact CB-O 3.3Å; S142-S238 VanDerWaalsContact OG-CA 3.31Å; S142-S238 WeakPolarHBondContact OG-CA 3.42Å; S142-S238 WeakPolarHBondContact OG-CB 3.47Å; S142-S238 PolarHBondContact OG-OG 3.1Å; N147-S238 PolarHBondContact OD1-O 3.38Å; T151-S238 VanDerWaalsContact OG1-CB 3.27Å; T151-S238 WeakPolarHBondContact OG1-CB 3.38Å; T151-S238 PolarHBondContact OG1-OG 3.06Å; I234-S238 PolarHBondContact O-N 3Å; I234-S238 PolarHBondContact O-OG 3.5Å; I234-S238 VanDerWaalsContact O-OG 3.06Å; A235-S238 PolarHBondContact O-N 3.42Å; Y236-S238 VanDerWaalsContact C-N 3.31Å; Y236-S238 PolarHBondContact O-N 3.05Å; S238-I240 VanDerWaalsContact C-N 3.35Å; S238-I240 PolarHBondContact O-N 3.4Å; S238-G241 PolarHBondContact O-N 3.37Å; S238-G242 PolarHBondContact O-N 3.08Å |
| 239 | S | 97.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 0.6 Ų | 0.6 | 1% | 0.007 | 0% | 0.004 | C | C | . | . | H | α-helix | trans | -65.3 | -36.7 | 178.6 | -64 | 0 | 0 | 0 | 0 | 112.6 | A235 Y236 | A235-S239 PolarHBondContact O-N 3Å; A235-S239 VanDerWaalsContact O-N 3.13Å; A235-S239 PolarHBondContact O-OG 2.95Å; Y236-S239 PolarHBondContact O-N 3.29Å |
| 240 | I | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -66.4 | -41 | 175.3 | -67.3 | 165 | 0 | 0 | 0 | 111.3 | Y236 A237 S238 V243 S282 M285 F286 A289 Y525 F527 M557 | Y236-I240 WeakPolarHBondContact O-CB 3.5Å; Y236-I240 WeakPolarHBondContact O-CD1 3.5Å; Y236-I240 WeakPolarHBondContact O-CG1 3.4Å; Y236-I240 PolarHBondContact O-N 3.43Å; A237-I240 PolarHBondContact O-N 2.93Å; S238-I240 VanDerWaalsContact C-N 3.35Å; S238-I240 PolarHBondContact O-N 3.4Å; I240-V243 PolarHBondContact O-N 3.1Å; I240-S282 WeakPolarHBondContact CG2-O 3.41Å; I240-S282 PolarHBondContact O-OG 3.15Å; I240-M285 HydrophobicContact CD1-CB 4.41Å; I240-M285 HydrophobicContact CG1-CB 4.41Å; I240-M285 HydrophobicContact CG2-CB 3.87Å; I240-F286 HydrophobicContact CG2-CB 4.17Å; I240-A289 HydrophobicContact CD1-CB 3.57Å; I240-Y525 HydrophobicContact CG1-CE1 4.2Å; I240-F527 HydrophobicContact CD1-CZ 4.17Å; I240-F527 HydrophobicContact CG1-CE1 4.15Å; I240-F527 HydrophobicContact CG1-CZ 3.66Å; I240-M557 HydrophobicContact CD1-CE 4.42Å |
| 241 | G | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -62.8 | -43.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | W139 M143 A237 S238 V243 A244 | W139-G241 WeakPolarHBondContact O-CA 3.32Å; M143-G241 WeakPolarHBondContact CG-O 3.48Å; A237-G241 PolarHBondContact O-N 3.47Å; S238-G241 PolarHBondContact O-N 3.37Å; G241-V243 PolarHBondContact O-N 2.78Å; G241-V243 VanDerWaalsContact O-N 3.1Å; G241-A244 WeakPolarHBondContact O-CB 3.46Å; G241-A244 PolarHBondContact O-N 3.49Å |
| 242 | G | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -58 | -25.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | S142 S238 A244 G248 T249 N252 | S142-G242 VanDerWaalsContact O-CA 3.29Å; S142-G242 WeakPolarHBondContact O-CA 3.26Å; S238-G242 PolarHBondContact O-N 3.08Å; G242-A244 VanDerWaalsContact C-N 3.32Å; G242-A244 PolarHBondContact O-N 3.16Å; G242-G248 CarbonylContact O-C 3.29Å; G242-G248 VanDerWaalsContact O-C 3.22Å; G242-G248 VanDerWaalsContact O-CA 3.31Å; G242-G248 WeakPolarHBondContact O-CA 3.41Å; G242-T249 WeakPolarHBondContact O-CG2 3.43Å; G242-T249 PolarHBondContact O-N 2.72Å; G242-N252 PolarHBondContact O-ND2 3.48Å |
| 243 | V | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -69.5 | -28.4 | 176.9 | 174.7 | 0 | 0 | 0 | 0 | 112.6 | I240 G241 T245 N252 W274 A278 V521 S524 Y525 | I240-V243 PolarHBondContact O-N 3.1Å; G241-V243 PolarHBondContact O-N 2.78Å; G241-V243 VanDerWaalsContact O-N 3.1Å; V243-T245 VanDerWaalsContact C-N 3.27Å; V243-T245 PolarHBondContact O-N 3.4Å; V243-N252 PolarHBondContact O-ND2 3.42Å; V243-W274 PolarHBondContact O-NE1 3.04Å; V243-A278 HydrophobicContact CG1-CB 4.39Å; V243-A278 VanDerWaalsContact O-CB 3.3Å; V243-A278 WeakPolarHBondContact O-CB 3.46Å; V243-V521 HydrophobicContact CG1-CB 4.44Å; V243-V521 HydrophobicContact CG1-CG1 4.06Å; V243-V521 HydrophobicContact CG1-CG2 3.87Å; V243-S524 VanDerWaalsContact CG2-CB 3.44Å; V243-Y525 HydrophobicContact CB-CE1 4.34Å; V243-Y525 HydrophobicContact CG2-CD1 4.22Å; V243-Y525 HydrophobicContact CG2-CE1 3.59Å |
| 244 | A | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.011 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -25.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | M143 G241 G242 L279 | M143-A244 HydrophobicContact CE-CB 4.09Å; M143-A244 HydrophobicContact CG-CB 3.95Å; M143-A244 HydrophobicContact SD-CB 4.11Å; G241-A244 WeakPolarHBondContact O-CB 3.46Å; G241-A244 PolarHBondContact O-N 3.49Å; G242-A244 VanDerWaalsContact C-N 3.32Å; G242-A244 PolarHBondContact O-N 3.16Å; A244-L279 HydrophobicContact CB-CB 4.48Å; A244-L279 HydrophobicContact CB-CD1 3.94Å |
| 245 | T | 95.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 1.8 Ų | 1.8 | 0% | 0 | 1% | 0.012 | C | C | . | . | S | Bend | trans | -130.9 | 161.6 | -176.6 | 75.2 | 0 | 0 | 0 | 0 | 111 | M143 W144 V243 I247 G248 N252 F271 M275 | M143-T245 HydrophobicContact CB-CG2 3.96Å; M143-T245 WeakPolarHBondContact O-CB 3.39Å; M143-T245 WeakPolarHBondContact O-CG2 3.24Å; M143-T245 PolarHBondContact O-OG1 3.5Å; W144-T245 HydrophobicContact CE3-CG2 4.12Å; W144-T245 HydrophobicContact CH2-CG2 4.11Å; W144-T245 HydrophobicContact CZ3-CG2 3.83Å; V243-T245 VanDerWaalsContact C-N 3.27Å; V243-T245 PolarHBondContact O-N 3.4Å; T245-I247 VanDerWaalsContact C-N 3.27Å; T245-I247 PolarHBondContact O-N 3.19Å; T245-G248 PolarHBondContact O-N 2.9Å; T245-G248 WeakPolarHBondContact OG1-CA 3.4Å; T245-G248 PolarHBondContact OG1-N 3.24Å; T245-N252 PolarHBondContact O-ND2 3.08Å; T245-F271 HydrophobicContact CG2-CZ 4.16Å; T245-M275 HydrophobicContact CG2-SD 4.08Å |
| 246 | I | 94.2 | Very high | 96 | Very high | 1 Ų | 1 | 2 Ų | 2 | 1% | 0.005 | 1% | 0.013 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -36.4 | 179.3 | -64.1 | -169.3 | 0 | 0 | 0 | 111.8 | L95 S253 Q256 F271 W274 | L95-I246 HydrophobicContact CD2-CG2 4.18Å; I246-S253 PolarHBondContact O-N 3.26Å; I246-S253 PolarHBondContact O-OG 3.47Å; I246-Q256 HydrophobicContact CD1-CB 4.36Å; I246-Q256 VanDerWaalsContact CD1-CD 3.46Å; I246-Q256 HydrophobicContact CD1-CG 4.28Å; I246-Q256 VanDerWaalsContact CD1-NE2 3.3Å; I246-Q256 HydrophobicContact CG2-CB 4.43Å; I246-F271 HydrophobicContact CB-CD2 4.12Å; I246-F271 HydrophobicContact CB-CE2 4.49Å; I246-F271 HydrophobicContact CD1-CB 4.4Å; I246-F271 HydrophobicContact CG1-CD2 4.41Å; I246-W274 HydrophobicContact CD1-CB 3.83Å; I246-W274 HydrophobicContact CD1-CG 4.28Å; I246-W274 HydrophobicContact CG1-CB 3.63Å; I246-W274 HydrophobicContact CG1-CG 3.6Å |
| 247 | I | 92.9 | Very high | 95.7 | Very high | 5 Ų | 5 | 2.2 Ų | 2.2 | 3% | 0.026 | 1% | 0.014 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | -8.8 | -177.9 | 68.9 | 164.9 | 0 | 0 | 0 | 113.7 | L95 F96 T245 T249 F271 W348 | L95-I247 HydrophobicContact CD1-CG2 4.48Å; L95-I247 HydrophobicContact CG-CG2 4.24Å; F96-I247 HydrophobicContact CD2-CB 3.94Å; F96-I247 HydrophobicContact CD2-CG2 4.05Å; F96-I247 HydrophobicContact CE2-CB 4.24Å; F96-I247 VanDerWaalsContact CE2-O 3.26Å; F96-I247 WeakPolarHBondContact CE2-O 3.2Å; T245-I247 VanDerWaalsContact C-N 3.27Å; T245-I247 PolarHBondContact O-N 3.19Å; I247-T249 VanDerWaalsContact C-N 3.32Å; I247-T249 PolarHBondContact O-N 3.09Å; I247-F271 HydrophobicContact CG1-CE2 4.3Å; I247-F271 HydrophobicContact CG2-CE2 4.45Å; I247-W348 HydrophobicContact CD1-CH2 3.71Å; I247-W348 HydrophobicContact CD1-CZ3 3.88Å |
| 248 | G | 93.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 2.2 Ų | 2.2 | 4% | 0.041 | 2% | 0.015 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -32.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N147 G242 T245 | N147-G248 PolarHBondContact OD1-O 3.27Å; G242-G248 CarbonylContact O-C 3.29Å; G242-G248 VanDerWaalsContact O-C 3.22Å; G242-G248 VanDerWaalsContact O-CA 3.31Å; G242-G248 WeakPolarHBondContact O-CA 3.41Å; T245-G248 PolarHBondContact O-N 2.9Å; T245-G248 WeakPolarHBondContact OG1-CA 3.4Å; T245-G248 PolarHBondContact OG1-N 3.24Å |
| 249 | T | 94.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 2.2 Ų | 2.2 | 1% | 0.012 | 2% | 0.015 | C | C | . | . | S | Bend | trans | -147.1 | 143.5 | 178.4 | -166.2 | 0 | 0 | 0 | 0 | 111.8 | G242 I247 P251 N252 S524 | G242-T249 WeakPolarHBondContact O-CG2 3.43Å; G242-T249 PolarHBondContact O-N 2.72Å; I247-T249 VanDerWaalsContact C-N 3.32Å; I247-T249 PolarHBondContact O-N 3.09Å; T249-P251 WeakPolarHBondContact OG1-CD 3.26Å; T249-N252 HydrophobicContact CG2-CB 4.2Å; T249-N252 VanDerWaalsContact CG2-CG 3.49Å; T249-N252 WeakPolarHBondContact CG2-ND2 3.41Å; T249-N252 PolarHBondContact O-N 3.08Å; T249-N252 VanDerWaalsContact O-N 3.16Å; T249-S524 WeakPolarHBondContact CG2-OG 3.47Å |
| 250 | P | 93.5 | Very high | 94.7 | Very high | 22 Ų | 22 | 3.6 Ų | 3.6 | 14% | 0.143 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -58.9 | -37.4 | -176.5 | -23.1 | 33.7 | 0 | 0 | 0 | 115.6 | F96 N252 S253 I254 V434 V438 S491 | F96-P250 HydrophobicContact CZ-CG 4.45Å; P250-N252 PolarHBondContact O-N 3.3Å; P250-S253 WeakPolarHBondContact O-CB 3.32Å; P250-S253 PolarHBondContact O-N 2.88Å; P250-S253 VanDerWaalsContact O-N 3.09Å; P250-I254 WeakPolarHBondContact O-CG1 3.41Å; P250-I254 PolarHBondContact O-N 2.56Å; P250-V434 HydrophobicContact CB-CG1 4.06Å; P250-V434 HydrophobicContact CG-CG1 3.42Å; P250-V434 VanDerWaalsContact CG-CG1 3.42Å; P250-V438 HydrophobicContact CB-CG2 3.86Å; P250-S491 WeakPolarHBondContact CB-OG 3.45Å; P250-S491 WeakPolarHBondContact CG-OG 3.39Å |
| 251 | P | 95.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -50.5 | -38 | 173.5 | -32.4 | 37.3 | 0 | 0 | 0 | 114.6 | T249 I254 L255 N490 A494 T520 | T249-P251 WeakPolarHBondContact OG1-CD 3.26Å; P251-I254 PolarHBondContact O-N 3.29Å; P251-L255 WeakPolarHBondContact O-CB 3.35Å; P251-L255 PolarHBondContact O-N 2.88Å; P251-N490 HydrophobicContact CG-CB 3.78Å; P251-A494 HydrophobicContact CB-CB 3.78Å; P251-A494 HydrophobicContact CG-CB 4.13Å; P251-T520 HydrophobicContact CB-CG2 4.01Å; P251-T520 WeakPolarHBondContact O-CG2 3.25Å |
| 252 | N | 96 | Very high | 93.5 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.005 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -69.4 | -40.8 | 179.8 | -64.9 | -5.2 | 0 | 0 | 0 | 111.3 | G242 V243 T245 T249 P250 L255 Q256 W274 T520 | G242-N252 PolarHBondContact O-ND2 3.48Å; V243-N252 PolarHBondContact O-ND2 3.42Å; T245-N252 PolarHBondContact O-ND2 3.08Å; T249-N252 HydrophobicContact CG2-CB 4.2Å; T249-N252 VanDerWaalsContact CG2-CG 3.49Å; T249-N252 WeakPolarHBondContact CG2-ND2 3.41Å; T249-N252 PolarHBondContact O-N 3.08Å; T249-N252 VanDerWaalsContact O-N 3.16Å; P250-N252 PolarHBondContact O-N 3.3Å; N252-L255 PolarHBondContact O-N 3Å; N252-Q256 PolarHBondContact O-N 3.33Å; N252-W274 HydrophobicContact CB-CZ2 4.13Å; N252-W274 PolarHBondContact ND2-NE1 3.34Å; N252-W274 VanDerWaalsContact OD1-CZ2 3.24Å; N252-W274 WeakPolarHBondContact OD1-CZ2 3.28Å; N252-T520 WeakPolarHBondContact OD1-CG2 3.23Å |
| 253 | S | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -65.5 | -39.4 | 173.1 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | T92 F96 I246 P250 Q256 G257 F442 | T92-S253 VanDerWaalsContact CG2-O 3.27Å; T92-S253 WeakPolarHBondContact CG2-O 3.43Å; F96-S253 WeakPolarHBondContact CD2-OG 3.29Å; I246-S253 PolarHBondContact O-N 3.26Å; I246-S253 PolarHBondContact O-OG 3.47Å; P250-S253 WeakPolarHBondContact O-CB 3.32Å; P250-S253 PolarHBondContact O-N 2.88Å; P250-S253 VanDerWaalsContact O-N 3.09Å; S253-Q256 PolarHBondContact O-N 3.13Å; S253-G257 PolarHBondContact O-N 3.05Å; S253-F442 WeakPolarHBondContact O-CZ 3.5Å |
| 254 | I | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64.3 | -41.7 | 176.1 | -67.5 | 160.4 | 0 | 0 | 0 | 111.1 | P250 P251 T258 V438 S491 A494 S495 L498 | P250-I254 WeakPolarHBondContact O-CG1 3.41Å; P250-I254 PolarHBondContact O-N 2.56Å; P251-I254 PolarHBondContact O-N 3.29Å; I254-T258 WeakPolarHBondContact O-CB 3.41Å; I254-T258 PolarHBondContact O-N 2.89Å; I254-T258 PolarHBondContact O-OG1 3.27Å; I254-V438 HydrophobicContact CG1-CB 4.43Å; I254-V438 HydrophobicContact CG1-CG1 4.28Å; I254-V438 HydrophobicContact CG1-CG2 4.22Å; I254-S491 VanDerWaalsContact CD1-O 3.25Å; I254-S491 WeakPolarHBondContact CD1-O 3.29Å; I254-A494 HydrophobicContact CD1-CB 4.24Å; I254-A494 HydrophobicContact CG2-CB 4.4Å; I254-S495 WeakPolarHBondContact CD1-OG 3.28Å; I254-L498 HydrophobicContact CG2-CD1 4.01Å |
| 255 | L | 96 | Very high | 91.6 | Very high | 1 Ų | 1 | 12.3 Ų | 12.3 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -58.6 | -52.2 | 173.7 | 171.4 | 69.1 | 0 | 0 | 0 | 111.3 | P251 N252 T259 L269 W274 L498 F502 A516 F517 T520 | P251-L255 WeakPolarHBondContact O-CB 3.35Å; P251-L255 PolarHBondContact O-N 2.88Å; N252-L255 PolarHBondContact O-N 3Å; L255-T259 VanDerWaalsContact O-CB 3.26Å; L255-T259 WeakPolarHBondContact O-CB 3.46Å; L255-T259 PolarHBondContact O-N 3.26Å; L255-T259 PolarHBondContact O-OG1 3.45Å; L255-L269 HydrophobicContact CG-CD2 4.39Å; L255-W274 HydrophobicContact CD2-CE3 3.91Å; L255-W274 HydrophobicContact CD2-CH2 3.65Å; L255-W274 HydrophobicContact CD2-CZ3 3.22Å; L255-L498 HydrophobicContact CB-CD1 4Å; L255-L498 HydrophobicContact CD1-CD1 4.47Å; L255-L498 HydrophobicContact CD1-CD2 4Å; L255-F502 HydrophobicContact CD1-CZ 3.95Å; L255-A516 HydrophobicContact CD1-CB 3.79Å; L255-F517 HydrophobicContact CD1-CD1 4.46Å; L255-F517 HydrophobicContact CD2-CD1 3.73Å; L255-F517 HydrophobicContact CD2-CE1 3.95Å; L255-T520 HydrophobicContact CB-CG2 3.93Å; L255-T520 HydrophobicContact CD2-CG2 3.98Å |
| 256 | Q | 94.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 15.9 Ų | 15.9 | 3% | 0.028 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.7 | -51.5 | -178.8 | -176.2 | -174.8 | 46.3 | 0 | 0 | 110.7 | T92 I246 N252 S253 T258 T259 L260 L269 | T92-Q256 HydrophobicContact CG2-CB 4.03Å; T92-Q256 HydrophobicContact CG2-CG 4.22Å; T92-Q256 VanDerWaalsContact CG2-OE1 3.29Å; I246-Q256 HydrophobicContact CD1-CB 4.36Å; I246-Q256 VanDerWaalsContact CD1-CD 3.46Å; I246-Q256 HydrophobicContact CD1-CG 4.28Å; I246-Q256 VanDerWaalsContact CD1-NE2 3.3Å; I246-Q256 HydrophobicContact CG2-CB 4.43Å; N252-Q256 PolarHBondContact O-N 3.33Å; S253-Q256 PolarHBondContact O-N 3.13Å; Q256-T258 PolarHBondContact O-N 3.36Å; Q256-T259 WeakPolarHBondContact O-CB 3.14Å; Q256-T259 PolarHBondContact O-N 3.04Å; Q256-L260 HydrophobicContact CG-CD1 3.9Å; Q256-L260 HydrophobicContact CG-CG 4.2Å; Q256-L260 WeakPolarHBondContact O-CG 3.28Å; Q256-L260 PolarHBondContact O-N 3.39Å; Q256-L269 HydrophobicContact CB-CD2 4.31Å; Q256-L269 HydrophobicContact CG-CD2 4.43Å; Q256-L269 HydrophobicContact CG-CG 4.48Å |
| 257 | G | 90.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 16.2 Ų | 16.2 | 3% | 0.031 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.5 | -35.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | T92 S253 T259 N261 | T92-G257 WeakPolarHBondContact OG1-CA 3.4Å; S253-G257 PolarHBondContact O-N 3.05Å; G257-T259 VanDerWaalsContact C-N 3.34Å; G257-N261 WeakPolarHBondContact O-CB 3.36Å; G257-N261 PolarHBondContact O-N 3.47Å |
| 258 | T | 91.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 1% | 0.006 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.3 | -39.8 | 173 | -55.8 | 0 | 0 | 0 | 0 | 111.1 | I254 Q256 R262 A445 F502 | I254-T258 WeakPolarHBondContact O-CB 3.41Å; I254-T258 PolarHBondContact O-N 2.89Å; I254-T258 PolarHBondContact O-OG1 3.27Å; Q256-T258 PolarHBondContact O-N 3.36Å; T258-R262 WeakPolarHBondContact O-CB 3.48Å; T258-R262 PolarHBondContact O-N 3.01Å; T258-A445 HydrophobicContact CG2-CB 4.23Å; T258-F502 HydrophobicContact CG2-CD2 3.58Å; T258-F502 HydrophobicContact CG2-CE2 3.44Å; T258-F502 VanDerWaalsContact CG2-CE2 3.44Å |
| 259 | T | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.2 | -52.5 | 175.5 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | L255 Q256 G257 N261 R262 Y263 T267 L269 F502 F513 | L255-T259 VanDerWaalsContact O-CB 3.26Å; L255-T259 WeakPolarHBondContact O-CB 3.46Å; L255-T259 PolarHBondContact O-N 3.26Å; L255-T259 PolarHBondContact O-OG1 3.45Å; Q256-T259 WeakPolarHBondContact O-CB 3.14Å; Q256-T259 PolarHBondContact O-N 3.04Å; G257-T259 VanDerWaalsContact C-N 3.34Å; T259-N261 VanDerWaalsContact C-N 3.34Å; T259-N261 PolarHBondContact O-N 3.23Å; T259-R262 PolarHBondContact O-N 3.05Å; T259-Y263 HydrophobicContact CG2-CD2 4.1Å; T259-Y263 WeakPolarHBondContact O-CD2 3.25Å; T259-Y263 PolarHBondContact O-N 3.09Å; T259-T267 HydrophobicContact CG2-CG2 3.81Å; T259-L269 HydrophobicContact CG2-CB 4.48Å; T259-L269 HydrophobicContact CG2-CD2 3.94Å; T259-F502 WeakPolarHBondContact OG1-CZ 3.49Å; T259-F513 HydrophobicContact CG2-CE1 3.56Å; T259-F513 HydrophobicContact CG2-CZ 3.66Å |
| 260 | L | 89.1 | Confident | 89.9 | Confident | 29 Ų | 29 | 18.8 Ų | 18.8 | 15% | 0.152 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.9 | -37.6 | -178.5 | -65 | -177.4 | 0 | 0 | 0 | 111.8 | Q256 R262 G264 | Q256-L260 HydrophobicContact CG-CD1 3.9Å; Q256-L260 HydrophobicContact CG-CG 4.2Å; Q256-L260 WeakPolarHBondContact O-CG 3.28Å; Q256-L260 PolarHBondContact O-N 3.39Å; L260-R262 VanDerWaalsContact C-N 3.29Å; L260-R262 PolarHBondContact O-N 3.32Å; L260-G264 WeakPolarHBondContact CD2-O 3.47Å; L260-G264 WeakPolarHBondContact O-CA 3.26Å; L260-G264 PolarHBondContact O-N 3Å |
| 261 | N | 86.1 | Confident | 89.7 | Confident | 34 Ų | 34 | 17.8 Ų | 17.8 | 18% | 0.182 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.7 | -38.1 | 174.5 | -176.8 | 36.9 | 0 | 0 | 0 | 112.2 | R90 G257 T259 T446 | R90-N261 VanDerWaalsContact NH1-CG 3.3Å; R90-N261 PolarHBondContact NH1-OD1 2.91Å; R90-N261 PolarHBondContact NH2-OD1 3.04Å; G257-N261 WeakPolarHBondContact O-CB 3.36Å; G257-N261 PolarHBondContact O-N 3.47Å; T259-N261 VanDerWaalsContact C-N 3.34Å; T259-N261 PolarHBondContact O-N 3.23Å; N261-T446 PolarHBondContact ND2-OG1 2.9Å |
| 262 | R | 86.3 | Confident | 89.5 | Confident | 23 Ų | 23 | 18.6 Ų | 18.6 | 9% | 0.087 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -86.7 | -38.6 | -173 | -168.2 | 170.4 | -169.6 | 83.9 | 5.6 | 113.6 | T258 T259 L260 Q449 T454 E506 | T258-R262 WeakPolarHBondContact O-CB 3.48Å; T258-R262 PolarHBondContact O-N 3.01Å; T259-R262 PolarHBondContact O-N 3.05Å; L260-R262 VanDerWaalsContact C-N 3.29Å; L260-R262 PolarHBondContact O-N 3.32Å; R262-Q449 VanDerWaalsContact NH1-NE2 3.12Å; R262-T454 VanDerWaalsContact NH2-CG2 3.34Å; R262-E506 IonicContact CZ-OE1 3.24Å; R262-E506 VanDerWaalsContact CZ-OE1 3.24Å; R262-E506 IonicContact CZ-OE2 3.55Å; R262-E506 IonicContact NE-OE1 2.65Å; R262-E506 PolarHBondContact NE-OE1 2.75Å; R262-E506 IonicContact NE-OE2 3.69Å; R262-E506 IonicContact NH2-OE1 3.08Å; R262-E506 PolarHBondContact NH2-OE1 3.44Å; R262-E506 VanDerWaalsContact NH2-OE1 3.08Å; R262-E506 IonicContact NH2-OE2 2.64Å; R262-E506 PolarHBondContact NH2-OE2 3.32Å |
| 263 | Y | 88.7 | Confident | 89.3 | Confident | 14 Ų | 14 | 20 Ų | 20 | 6% | 0.055 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -120.9 | -9.4 | -170.6 | -53.6 | -63 | 0 | 0 | 0 | 113.7 | T259 T267 F502 E506 P512 W585 L586 V589 | T259-Y263 HydrophobicContact CG2-CD2 4.1Å; T259-Y263 WeakPolarHBondContact O-CD2 3.25Å; T259-Y263 PolarHBondContact O-N 3.09Å; Y263-T267 HydrophobicContact CD2-CG2 4.3Å; Y263-T267 HydrophobicContact CG-CG2 4.2Å; Y263-F502 AromaticContact CE2-CD1 3.69Å; Y263-F502 HydrophobicContact CE2-CD1 3.69Å; Y263-F502 AromaticContact CE2-CE1 3.84Å; Y263-F502 HydrophobicContact CE2-CE1 3.84Å; Y263-F502 HydrophobicContact CE2-CG 4.39Å; Y263-F502 WeakPolarHBondContact OH-CD1 3.49Å; Y263-E506 PolarHBondContact OH-OE1 3Å; Y263-P512 HydrophobicContact CE2-CB 4.32Å; Y263-P512 HydrophobicContact CE2-CG 3.9Å; Y263-W585 AromaticContact CD1-CE3 3.73Å; Y263-W585 HydrophobicContact CD1-CE3 3.73Å; Y263-W585 AromaticContact CD1-CZ3 3.69Å; Y263-W585 HydrophobicContact CD1-CZ3 3.69Å; Y263-W585 HydrophobicContact CD2-CE3 4.49Å; Y263-W585 AromaticContact CD2-CZ3 3.93Å; Y263-W585 HydrophobicContact CD2-CZ3 3.93Å; Y263-W585 HydrophobicContact CE1-CE3 4.47Å; Y263-W585 HydrophobicContact CE1-CZ3 4.07Å; Y263-W585 HydrophobicContact CE2-CZ3 4.28Å; Y263-W585 AromaticContact CG-CE3 3.75Å; Y263-W585 HydrophobicContact CG-CE3 3.75Å; Y263-W585 AromaticContact CG-CZ3 3.61Å; Y263-W585 HydrophobicContact CG-CZ3 3.61Å; Y263-L586 HydrophobicContact CD1-CD1 4.22Å; Y263-L586 HydrophobicContact CE1-CD1 3.47Å; Y263-L586 VanDerWaalsContact CE1-CD1 3.47Å; Y263-V589 HydrophobicContact CD1-CG2 3.95Å; Y263-V589 HydrophobicContact CE1-CG2 4.4Å |
| 264 | G | 84.5 | Confident | 89.4 | Confident | 27 Ų | 27 | 20.1 Ų | 20.1 | 28% | 0.278 | 13% | 0.131 | S | C | . | . | trans | 78.2 | -174.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L260 S266 T267 | L260-G264 WeakPolarHBondContact CD2-O 3.47Å; L260-G264 WeakPolarHBondContact O-CA 3.26Å; L260-G264 PolarHBondContact O-N 3Å; G264-S266 VanDerWaalsContact C-N 3.27Å; G264-S266 PolarHBondContact O-N 3.44Å; G264-T267 WeakPolarHBondContact O-CG2 3.31Å; G264-T267 PolarHBondContact O-OG1 3.2Å | ||
| 265 | D | 79.5 | Confident | 89.4 | Confident | 86 Ų | 86 | 20.9 Ų | 20.9 | 46% | 0.46 | 14% | 0.135 | S | C | . | . | G | 310 helix | trans | -77.1 | -8.1 | -173.5 | -55.7 | -42.9 | 0 | 0 | 0 | 114.5 | T267 | D265-T267 PolarHBondContact O-N 2.98Š|
| 266 | S | 79.3 | Confident | 89.3 | Confident | 74 Ų | 74 | 23.1 Ų | 23.1 | 52% | 0.517 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -77.3 | -0.2 | 179.7 | 52.6 | 0 | 0 | 0 | 0 | 114 | G264 G268 | G264-S266 VanDerWaalsContact C-N 3.27Å; G264-S266 PolarHBondContact O-N 3.44Å; S266-G268 PolarHBondContact O-N 3.48Å |
| 267 | T | 87.4 | Confident | 89.4 | Confident | 9 Ų | 9 | 22.9 Ų | 22.9 | 6% | 0.055 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -71.1 | -16.2 | 179.2 | 57.1 | 0 | 0 | 0 | 0 | 114.2 | T259 Y263 G264 D265 L269 W585 | T259-T267 HydrophobicContact CG2-CG2 3.81Å; Y263-T267 HydrophobicContact CD2-CG2 4.3Å; Y263-T267 HydrophobicContact CG-CG2 4.2Å; G264-T267 WeakPolarHBondContact O-CG2 3.31Å; G264-T267 PolarHBondContact O-OG1 3.2Å; D265-T267 PolarHBondContact O-N 2.98Å; T267-L269 PolarHBondContact O-N 3.02Å; T267-W585 HydrophobicContact CG2-CD2 4.08Å; T267-W585 HydrophobicContact CG2-CE3 4.19Å; T267-W585 HydrophobicContact CG2-CH2 4.24Å; T267-W585 HydrophobicContact CG2-CZ2 4.08Å; T267-W585 HydrophobicContact CG2-CZ3 4.29Å |
| 268 | G | 85.2 | Confident | 89.8 | Confident | 36 Ų | 36 | 22.7 Ų | 22.7 | 37% | 0.371 | 15% | 0.151 | S | C | . | . | trans | 76.9 | -1.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S266 N270 T273 | S266-G268 PolarHBondContact O-N 3.48Å; G268-N270 PolarHBondContact O-N 3.44Å; G268-N270 PolarHBondContact O-ND2 3.38Å; G268-T273 WeakPolarHBondContact O-CB 3.41Å; G268-T273 WeakPolarHBondContact O-CG2 3.42Å; G268-T273 PolarHBondContact O-OG1 2.94Å | ||
| 269 | L | 91.2 | Very high | 90.1 | Very high | 7 Ų | 7 | 25 Ų | 25 | 4% | 0.037 | 16% | 0.163 | C | C | . | . | trans | -80.5 | 107.6 | 176.9 | -177.4 | 64 | 0 | 0 | 0 | 111.1 | L255 Q256 T259 T267 W274 F513 F517 F577 | L255-L269 HydrophobicContact CG-CD2 4.39Å; Q256-L269 HydrophobicContact CB-CD2 4.31Å; Q256-L269 HydrophobicContact CG-CD2 4.43Å; Q256-L269 HydrophobicContact CG-CG 4.48Å; T259-L269 HydrophobicContact CG2-CB 4.48Å; T259-L269 HydrophobicContact CG2-CD2 3.94Å; T267-L269 PolarHBondContact O-N 3.02Å; L269-W274 HydrophobicContact CD1-CB 4.14Å; L269-W274 HydrophobicContact CD1-CE3 4.12Å; L269-F513 HydrophobicContact CB-CE2 4.18Å; L269-F513 HydrophobicContact CB-CZ 3.81Å; L269-F513 HydrophobicContact CD2-CE1 4.24Å; L269-F513 HydrophobicContact CD2-CZ 4.08Å; L269-F513 HydrophobicContact CG-CZ 4.47Å; L269-F517 HydrophobicContact CD1-CE1 4.25Å; L269-F517 HydrophobicContact CD1-CZ 4.08Å; L269-F577 HydrophobicContact CD1-CE1 4.29Å; L269-F577 HydrophobicContact CD1-CZ 4.4Å | ||
| 270 | N | 89.9 | Confident | 90.3 | Very high | 22 Ų | 22 | 28.1 Ų | 28.1 | 12% | 0.118 | 18% | 0.183 | C | C | . | . | trans | -137.5 | 177.7 | 176.5 | 60.4 | 59.3 | 0 | 0 | 0 | 110 | G268 G272 T273 W274 | G268-N270 PolarHBondContact O-N 3.44Å; G268-N270 PolarHBondContact O-ND2 3.38Å; N270-G272 VanDerWaalsContact C-N 3.31Å; N270-G272 PolarHBondContact O-N 3.3Å; N270-G272 PolarHBondContact OD1-N 3.48Å; N270-T273 PolarHBondContact N-OG1 2.92Å; N270-T273 PolarHBondContact O-N 3.47Å; N270-T273 PolarHBondContact O-OG1 3Å; N270-T273 PolarHBondContact OD1-N 2.71Å; N270-T273 PolarHBondContact OD1-OG1 2.97Å; N270-W274 WeakPolarHBondContact O-CB 3.48Å; N270-W274 PolarHBondContact O-N 3.21Å | ||
| 271 | F | 90.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -52.5 | -48.9 | -179.7 | -171.1 | -82 | 0 | 0 | 0 | 112.7 | W144 T245 I246 I247 M275 W348 D376 | W144-F271 HydrophobicContact CZ3-CZ 4.01Å; T245-F271 HydrophobicContact CG2-CZ 4.16Å; I246-F271 HydrophobicContact CB-CD2 4.12Å; I246-F271 HydrophobicContact CB-CE2 4.49Å; I246-F271 HydrophobicContact CD1-CB 4.4Å; I246-F271 HydrophobicContact CG1-CD2 4.41Å; I247-F271 HydrophobicContact CG1-CE2 4.3Å; I247-F271 HydrophobicContact CG2-CE2 4.45Å; F271-M275 HydrophobicContact CE1-SD 3.92Å; F271-M275 WeakPolarHBondContact O-CB 3.41Å; F271-M275 PolarHBondContact O-N 3.43Å; F271-W348 HydrophobicContact CB-CB 4.2Å; F271-W348 HydrophobicContact CB-CG 4.38Å; F271-W348 HydrophobicContact CD1-CB 3.57Å; F271-W348 HydrophobicContact CD1-CD2 4.34Å; F271-W348 HydrophobicContact CD1-CE3 4.23Å; F271-W348 HydrophobicContact CD1-CG 4.13Å; F271-W348 HydrophobicContact CD2-CD2 4.04Å; F271-W348 HydrophobicContact CD2-CE3 4.01Å; F271-W348 HydrophobicContact CD2-CG 4.34Å; F271-W348 HydrophobicContact CE1-CB 4.11Å; F271-W348 HydrophobicContact CE1-CD2 4.39Å; F271-W348 AromaticContact CE1-CE3 3.83Å; F271-W348 HydrophobicContact CE1-CE3 3.83Å; F271-W348 HydrophobicContact CE2-CD2 4.09Å; F271-W348 AromaticContact CE2-CE3 3.58Å; F271-W348 HydrophobicContact CE2-CE3 3.58Å; F271-W348 HydrophobicContact CE2-CH2 4.49Å; F271-W348 AromaticContact CE2-CZ3 3.81Å; F271-W348 HydrophobicContact CE2-CZ3 3.81Å; F271-W348 HydrophobicContact CG-CB 3.87Å; F271-W348 HydrophobicContact CG-CD2 4.17Å; F271-W348 HydrophobicContact CG-CE3 4.32Å; F271-W348 HydrophobicContact CG-CG 4.01Å; F271-W348 HydrophobicContact CZ-CD2 4.28Å; F271-W348 AromaticContact CZ-CE3 3.49Å; F271-W348 HydrophobicContact CZ-CE3 3.49Å; F271-W348 VanDerWaalsContact CZ-CE3 3.49Å; F271-W348 AromaticContact CZ-CZ3 3.9Å; F271-W348 HydrophobicContact CZ-CZ3 3.9Å; F271-D376 HydrophobicContact CB-CB 4.4Å; F271-D376 PolarHBondContact N-OD2 3.43Å |
| 272 | G | 91.2 | Very high | 91.3 | Very high | 17 Ų | 17 | 25.3 Ų | 25.3 | 18% | 0.175 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.2 | -44.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N270 M275 A276 | N270-G272 VanDerWaalsContact C-N 3.31Å; N270-G272 PolarHBondContact O-N 3.3Å; N270-G272 PolarHBondContact OD1-N 3.48Å; G272-M275 PolarHBondContact O-N 3.48Å; G272-A276 WeakPolarHBondContact O-CB 3.5Å; G272-A276 PolarHBondContact O-N 2.96Å |
| 273 | T | 92.5 | Very high | 91.9 | Very high | 31 Ų | 31 | 26.9 Ų | 26.9 | 19% | 0.19 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.1 | -35.9 | -179.6 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | G268 N270 A276 Y277 | G268-T273 WeakPolarHBondContact O-CB 3.41Å; G268-T273 WeakPolarHBondContact O-CG2 3.42Å; G268-T273 PolarHBondContact O-OG1 2.94Å; N270-T273 PolarHBondContact N-OG1 2.92Å; N270-T273 PolarHBondContact O-N 3.47Å; N270-T273 PolarHBondContact O-OG1 3Å; N270-T273 PolarHBondContact OD1-N 2.71Å; N270-T273 PolarHBondContact OD1-OG1 2.97Å; T273-A276 PolarHBondContact O-N 2.83Å; T273-Y277 PolarHBondContact O-N 2.86Å; T273-Y277 VanDerWaalsContact O-N 3.13Å |
| 274 | W | 95.4 | Very high | 92.4 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.5 | -47.3 | 170.5 | 177.1 | -98.6 | 0 | 0 | 0 | 111.2 | V243 I246 N252 L255 L269 N270 A276 Y277 A278 F517 T520 V521 | V243-W274 PolarHBondContact O-NE1 3.04Å; I246-W274 HydrophobicContact CD1-CB 3.83Å; I246-W274 HydrophobicContact CD1-CG 4.28Å; I246-W274 HydrophobicContact CG1-CB 3.63Å; I246-W274 HydrophobicContact CG1-CG 3.6Å; N252-W274 HydrophobicContact CB-CZ2 4.13Å; N252-W274 PolarHBondContact ND2-NE1 3.34Å; N252-W274 VanDerWaalsContact OD1-CZ2 3.24Å; N252-W274 WeakPolarHBondContact OD1-CZ2 3.28Å; L255-W274 HydrophobicContact CD2-CE3 3.91Å; L255-W274 HydrophobicContact CD2-CH2 3.65Å; L255-W274 HydrophobicContact CD2-CZ3 3.22Å; L269-W274 HydrophobicContact CD1-CB 4.14Å; L269-W274 HydrophobicContact CD1-CE3 4.12Å; N270-W274 WeakPolarHBondContact O-CB 3.48Å; N270-W274 PolarHBondContact O-N 3.21Å; W274-A276 VanDerWaalsContact C-N 3.31Å; W274-A276 PolarHBondContact O-N 3.11Å; W274-Y277 HydrophobicContact CD2-CD1 4.43Å; W274-Y277 AromaticContact CE3-CD1 3.88Å; W274-Y277 HydrophobicContact CE3-CD1 3.88Å; W274-Y277 HydrophobicContact CE3-CE1 4.41Å; W274-Y277 HydrophobicContact CH2-CD1 4.05Å; W274-Y277 AromaticContact CH2-CE1 3.81Å; W274-Y277 HydrophobicContact CH2-CE1 3.81Å; W274-Y277 AromaticContact CZ3-CD1 3.66Å; W274-Y277 HydrophobicContact CZ3-CD1 3.66Å; W274-Y277 AromaticContact CZ3-CE1 3.73Å; W274-Y277 HydrophobicContact CZ3-CE1 3.73Å; W274-Y277 CarbonylContact O-C 3.59Å; W274-Y277 WeakPolarHBondContact O-CA 3.25Å; W274-Y277 WeakPolarHBondContact O-CB 3.28Å; W274-Y277 PolarHBondContact O-N 2.66Å; W274-A278 HydrophobicContact CD2-CB 4.31Å; W274-A278 HydrophobicContact CZ2-CB 3.99Å; W274-A278 WeakPolarHBondContact O-CB 3.25Å; W274-A278 PolarHBondContact O-N 2.86Å; W274-F517 HydrophobicContact CE3-CE1 4.37Å; W274-F517 HydrophobicContact CE3-CZ 4.5Å; W274-F517 AromaticContact CZ3-CD1 3.88Å; W274-F517 HydrophobicContact CZ3-CD1 3.88Å; W274-F517 HydrophobicContact CZ3-CE1 4.06Å; W274-F517 HydrophobicContact CZ3-CG 4.12Å; W274-F517 HydrophobicContact CZ3-CZ 4.47Å; W274-T520 HydrophobicContact CH2-CG2 4.18Å; W274-V521 HydrophobicContact CH2-CG2 4.24Å |
| 275 | M | 95.4 | Very high | 93 | Very high | 16 Ų | 16 | 29.8 Ų | 29.8 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.5 | -37.9 | 179.4 | -172.5 | 164.5 | 171.2 | 0 | 0 | 111.8 | W144 T245 F271 G272 Y277 A278 L279 M349 | W144-M275 HydrophobicContact CH2-CE 3.96Å; W144-M275 HydrophobicContact CH2-SD 4.27Å; W144-M275 HydrophobicContact CZ2-CE 4.47Å; T245-M275 HydrophobicContact CG2-SD 4.08Å; F271-M275 HydrophobicContact CE1-SD 3.92Å; F271-M275 WeakPolarHBondContact O-CB 3.41Å; F271-M275 PolarHBondContact O-N 3.43Å; G272-M275 PolarHBondContact O-N 3.48Å; M275-Y277 PolarHBondContact O-N 3.3Å; M275-A278 PolarHBondContact O-N 3.42Å; M275-L279 HydrophobicContact CE-CD2 3.78Å; M275-L279 HydrophobicContact CG-CB 4.07Å; M275-L279 HydrophobicContact CG-CD2 4.49Å; M275-L279 WeakPolarHBondContact O-CB 3.49Å; M275-L279 PolarHBondContact O-N 2.86Å; M275-M349 HydrophobicContact CB-CE 4.48Å; M275-M349 HydrophobicContact CE-CE 3.53Å; M275-M349 HydrophobicContact CG-CE 3.96Å; M275-M349 HydrophobicContact SD-CE 3.2Å; M275-M349 WeakPolarHBondContact SD-CE 3.41Å; M275-M349 HydrophobicContact SD-SD 4Å |
| 276 | A | 94.4 | Very high | 93.9 | Very high | 48 Ų | 48 | 26.1 Ų | 26.1 | 40% | 0.397 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.9 | -32.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G272 T273 W274 P280 L576 | G272-A276 WeakPolarHBondContact O-CB 3.5Å; G272-A276 PolarHBondContact O-N 2.96Å; T273-A276 PolarHBondContact O-N 2.83Å; W274-A276 VanDerWaalsContact C-N 3.31Å; W274-A276 PolarHBondContact O-N 3.11Å; A276-P280 WeakPolarHBondContact O-CD 3.32Å; A276-P280 WeakPolarHBondContact O-CG 3.28Å; A276-L576 HydrophobicContact CB-CD1 4.41Å; A276-L576 HydrophobicContact CB-CD2 3.96Å |
| 277 | Y | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -77.2 | -52.7 | 172.7 | 163.3 | -107.9 | 0 | 0 | 0 | 112.9 | T273 W274 M275 F517 V521 A568 V569 Y572 A573 | T273-Y277 PolarHBondContact O-N 2.86Å; T273-Y277 VanDerWaalsContact O-N 3.13Å; W274-Y277 HydrophobicContact CD2-CD1 4.43Å; W274-Y277 AromaticContact CE3-CD1 3.88Å; W274-Y277 HydrophobicContact CE3-CD1 3.88Å; W274-Y277 HydrophobicContact CE3-CE1 4.41Å; W274-Y277 HydrophobicContact CH2-CD1 4.05Å; W274-Y277 AromaticContact CH2-CE1 3.81Å; W274-Y277 HydrophobicContact CH2-CE1 3.81Å; W274-Y277 AromaticContact CZ3-CD1 3.66Å; W274-Y277 HydrophobicContact CZ3-CD1 3.66Å; W274-Y277 AromaticContact CZ3-CE1 3.73Å; W274-Y277 HydrophobicContact CZ3-CE1 3.73Å; W274-Y277 CarbonylContact O-C 3.59Å; W274-Y277 WeakPolarHBondContact O-CA 3.25Å; W274-Y277 WeakPolarHBondContact O-CB 3.28Å; W274-Y277 PolarHBondContact O-N 2.66Å; M275-Y277 PolarHBondContact O-N 3.3Å; Y277-F517 AromaticContact CD1-CD2 3.92Å; Y277-F517 HydrophobicContact CD1-CD2 3.92Å; Y277-F517 HydrophobicContact CD1-CE2 4.28Å; Y277-F517 HydrophobicContact CD1-CG 4.47Å; Y277-F517 HydrophobicContact CD2-CD2 4.14Å; Y277-F517 HydrophobicContact CE1-CB 3.93Å; Y277-F517 AromaticContact CE1-CD2 3.83Å; Y277-F517 HydrophobicContact CE1-CD2 3.83Å; Y277-F517 HydrophobicContact CE1-CG 4.06Å; Y277-F517 HydrophobicContact CE2-CD2 4.04Å; Y277-F517 HydrophobicContact CG-CD2 4.09Å; Y277-F517 HydrophobicContact CG-CE2 4.26Å; Y277-F517 AromaticContact CZ-CD2 3.89Å; Y277-V521 HydrophobicContact CE1-CG2 4.12Å; Y277-A568 HydrophobicContact CE2-CB 3.87Å; Y277-V569 HydrophobicContact CE2-CG2 3.73Å; Y277-Y572 HydrophobicContact CD2-CE2 4.23Å; Y277-Y572 WeakPolarHBondContact O-CE2 3.3Å; Y277-Y572 PolarHBondContact O-OH 3.25Å; Y277-A573 HydrophobicContact CD2-CB 3.78Å; Y277-A573 HydrophobicContact CE2-CB 4.12Å |
| 278 | A | 98 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -88 | -27.3 | -163.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V243 W274 M275 L281 S282 | V243-A278 HydrophobicContact CG1-CB 4.39Å; V243-A278 VanDerWaalsContact O-CB 3.3Å; V243-A278 WeakPolarHBondContact O-CB 3.46Å; W274-A278 HydrophobicContact CD2-CB 4.31Å; W274-A278 HydrophobicContact CZ2-CB 3.99Å; W274-A278 WeakPolarHBondContact O-CB 3.25Å; W274-A278 PolarHBondContact O-N 2.86Å; M275-A278 PolarHBondContact O-N 3.42Å; A278-L281 PolarHBondContact O-N 2.72Å; A278-S282 VanDerWaalsContact O-CB 3.24Å; A278-S282 WeakPolarHBondContact O-CB 3.44Å; A278-S282 PolarHBondContact O-N 3.43Å |
| 279 | L | 97.6 | Very high | 95.9 | Very high | 49 Ų | 49 | 26.4 Ų | 26.4 | 26% | 0.257 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65.6 | -48.6 | 179.1 | 179.4 | 69.5 | 0 | 0 | 0 | 112.4 | W139 M143 A244 M275 L281 S282 V283 | W139-L279 HydrophobicContact CZ2-CD1 4.2Å; M143-L279 HydrophobicContact CE-CD1 3.59Å; M143-L279 HydrophobicContact SD-CD1 4.11Å; A244-L279 HydrophobicContact CB-CB 4.48Å; A244-L279 HydrophobicContact CB-CD1 3.94Å; M275-L279 HydrophobicContact CE-CD2 3.78Å; M275-L279 HydrophobicContact CG-CB 4.07Å; M275-L279 HydrophobicContact CG-CD2 4.49Å; M275-L279 WeakPolarHBondContact O-CB 3.49Å; M275-L279 PolarHBondContact O-N 2.86Å; L279-L281 VanDerWaalsContact C-N 3.28Å; L279-L281 PolarHBondContact O-N 2.83Å; L279-S282 PolarHBondContact O-N 3.44Å; L279-S282 VanDerWaalsContact O-N 3.14Å; L279-V283 HydrophobicContact CD1-CG2 4.35Å; L279-V283 HydrophobicContact CG-CG2 4.49Å; L279-V283 WeakPolarHBondContact O-CG2 3.34Å; L279-V283 PolarHBondContact O-N 3.17Å |
| 280 | P | 98.1 | Very high | 96.2 | Very high | 65 Ų | 65 | 28.4 Ų | 28.4 | 42% | 0.422 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -58.7 | -40.5 | 175.8 | -24.6 | 35.2 | 0 | 0 | 0 | 112.6 | A276 V283 F284 Y572 | A276-P280 WeakPolarHBondContact O-CD 3.32Å; A276-P280 WeakPolarHBondContact O-CG 3.28Å; P280-V283 PolarHBondContact O-N 2.93Å; P280-F284 WeakPolarHBondContact O-CB 3.41Å; P280-F284 PolarHBondContact O-N 3.19Å; P280-Y572 HydrophobicContact CG-CE2 4.48Å |
| 281 | L | 98.1 | Very high | 96.5 | Very high | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 174.7 | 177.3 | 59.3 | 0 | 0 | 0 | 111.8 | A278 L279 F284 M285 V521 A564 A565 A568 Y572 | A278-L281 PolarHBondContact O-N 2.72Å; L279-L281 VanDerWaalsContact C-N 3.28Å; L279-L281 PolarHBondContact O-N 2.83Å; L281-F284 PolarHBondContact O-N 2.86Å; L281-M285 HydrophobicContact CD1-CG 4.2Å; L281-M285 WeakPolarHBondContact O-CB 3.47Å; L281-M285 WeakPolarHBondContact O-CG 3.31Å; L281-M285 PolarHBondContact O-N 2.97Å; L281-V521 HydrophobicContact CD2-CG1 3.94Å; L281-V521 HydrophobicContact CD2-CG2 4.06Å; L281-A564 HydrophobicContact CD1-CB 3.66Å; L281-A565 HydrophobicContact CD2-CB 3.98Å; L281-A568 HydrophobicContact CD1-CB 4.39Å; L281-A568 HydrophobicContact CD2-CB 4.35Å; L281-Y572 PolarHBondContact N-OH 3.13Å |
| 282 | S | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 177.4 | -178.5 | 0 | 0 | 0 | 0 | 111.8 | W139 I240 A278 L279 M285 F286 | W139-S282 PolarHBondContact NE1-OG 3.2Å; I240-S282 WeakPolarHBondContact CG2-O 3.41Å; I240-S282 PolarHBondContact O-OG 3.15Å; A278-S282 VanDerWaalsContact O-CB 3.24Å; A278-S282 WeakPolarHBondContact O-CB 3.44Å; A278-S282 PolarHBondContact O-N 3.43Å; L279-S282 PolarHBondContact O-N 3.44Å; L279-S282 VanDerWaalsContact O-N 3.14Å; S282-M285 PolarHBondContact O-N 3.46Å; S282-F286 VanDerWaalsContact O-CB 3.25Å; S282-F286 WeakPolarHBondContact O-CB 3.29Å; S282-F286 PolarHBondContact O-N 3.43Å |
| 283 | V | 98.4 | Very high | 97.1 | Very high | 56 Ų | 56 | 32.8 Ų | 32.8 | 34% | 0.339 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -61.5 | -46.3 | 173.9 | 173 | 0 | 0 | 0 | 0 | 110.7 | W139 L279 P280 M285 F286 L287 | W139-V283 HydrophobicContact CH2-CG2 3.82Å; W139-V283 HydrophobicContact CZ2-CB 4.45Å; W139-V283 HydrophobicContact CZ2-CG2 3.51Å; L279-V283 HydrophobicContact CD1-CG2 4.35Å; L279-V283 HydrophobicContact CG-CG2 4.49Å; L279-V283 WeakPolarHBondContact O-CG2 3.34Å; L279-V283 PolarHBondContact O-N 3.17Å; P280-V283 PolarHBondContact O-N 2.93Å; V283-M285 PolarHBondContact O-N 2.95Å; V283-F286 WeakPolarHBondContact O-CB 3.37Å; V283-F286 PolarHBondContact O-N 3.4Å; V283-L287 HydrophobicContact CG1-CD1 4.35Å; V283-L287 WeakPolarHBondContact O-CG 3.14Å; V283-L287 PolarHBondContact O-N 3.39Å |
| 284 | F | 98.1 | Very high | 97.2 | Very high | 102 Ų | 102 | 31.4 Ų | 31.4 | 45% | 0.447 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58 | -50.3 | 176.6 | 173.9 | -98.3 | 0 | 0 | 0 | 111.2 | P280 L281 F286 L287 I288 A564 | P280-F284 WeakPolarHBondContact O-CB 3.41Å; P280-F284 PolarHBondContact O-N 3.19Å; L281-F284 PolarHBondContact O-N 2.86Å; F284-F286 VanDerWaalsContact C-N 3.31Å; F284-F286 PolarHBondContact O-N 3.5Å; F284-L287 PolarHBondContact O-N 2.87Å; F284-I288 HydrophobicContact CD1-CG1 4.28Å; F284-I288 HydrophobicContact CE1-CG1 3.84Å; F284-I288 HydrophobicContact CE2-CD1 4.25Å; F284-I288 HydrophobicContact CE2-CG1 4.11Å; F284-I288 HydrophobicContact CZ-CD1 4.03Å; F284-I288 HydrophobicContact CZ-CG1 3.75Å; F284-I288 WeakPolarHBondContact O-CG1 3.39Å; F284-I288 PolarHBondContact O-N 3.17Å; F284-A564 HydrophobicContact CD1-CB 4.01Å; F284-A564 HydrophobicContact CE1-CB 3.76Å |
| 285 | M | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -35.3 | 179 | -75 | -56.4 | -62.9 | 0 | 0 | 112.9 | I240 L281 S282 V283 I288 A289 Y525 M557 I560 G561 A564 | I240-M285 HydrophobicContact CD1-CB 4.41Å; I240-M285 HydrophobicContact CG1-CB 4.41Å; I240-M285 HydrophobicContact CG2-CB 3.87Å; L281-M285 HydrophobicContact CD1-CG 4.2Å; L281-M285 WeakPolarHBondContact O-CB 3.47Å; L281-M285 WeakPolarHBondContact O-CG 3.31Å; L281-M285 PolarHBondContact O-N 2.97Å; S282-M285 PolarHBondContact O-N 3.46Å; V283-M285 PolarHBondContact O-N 2.95Å; M285-I288 PolarHBondContact O-N 2.97Å; M285-A289 VanDerWaalsContact O-CB 3.26Å; M285-A289 WeakPolarHBondContact O-CB 3.28Å; M285-A289 PolarHBondContact O-N 2.98Å; M285-Y525 HydrophobicContact CE-CE2 4.3Å; M285-Y525 HydrophobicContact CG-CE2 4.05Å; M285-M557 HydrophobicContact CE-CE 3.47Å; M285-M557 VanDerWaalsContact CE-CE 3.47Å; M285-I560 HydrophobicContact SD-CG2 4.23Å; M285-G561 VanDerWaalsContact SD-CA 3.59Å; M285-A564 HydrophobicContact SD-CB 3.87Å |
| 286 | F | 98.4 | Very high | 97.2 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 4% | 0.044 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | 174.1 | 170.7 | -89.9 | 0 | 0 | 0 | 111.4 | L132 M135 L136 W139 I240 S282 V283 F284 A289 W290 | L132-F286 HydrophobicContact CD1-CE1 3.68Å; L132-F286 HydrophobicContact CD1-CZ 3.64Å; M135-F286 HydrophobicContact CB-CE2 3.59Å; M135-F286 HydrophobicContact CB-CZ 3.98Å; M135-F286 HydrophobicContact CE-CD2 4.38Å; M135-F286 HydrophobicContact CE-CE2 4.4Å; L136-F286 HydrophobicContact CB-CZ 4.17Å; L136-F286 HydrophobicContact CD1-CZ 4.02Å; W139-F286 HydrophobicContact CB-CD2 3.63Å; W139-F286 HydrophobicContact CB-CE2 3.71Å; W139-F286 AromaticContact CD1-CD2 3.81Å; W139-F286 HydrophobicContact CD2-CD2 4.04Å; W139-F286 HydrophobicContact CD2-CE2 4.39Å; W139-F286 HydrophobicContact CD2-CG 4.42Å; W139-F286 AromaticContact CG-CD2 3.54Å; W139-F286 HydrophobicContact CG-CD2 3.54Å; W139-F286 HydrophobicContact CG-CE2 4Å; W139-F286 HydrophobicContact CG-CG 4.27Å; I240-F286 HydrophobicContact CG2-CB 4.17Å; S282-F286 VanDerWaalsContact O-CB 3.25Å; S282-F286 WeakPolarHBondContact O-CB 3.29Å; S282-F286 PolarHBondContact O-N 3.43Å; V283-F286 WeakPolarHBondContact O-CB 3.37Å; V283-F286 PolarHBondContact O-N 3.4Å; F284-F286 VanDerWaalsContact C-N 3.31Å; F284-F286 PolarHBondContact O-N 3.5Å; F286-A289 PolarHBondContact O-N 3.41Å; F286-W290 WeakPolarHBondContact O-CB 3.45Å; F286-W290 PolarHBondContact O-N 3.04Å |
| 287 | L | 98.1 | Very high | 97.1 | Very high | 78 Ų | 78 | 33.6 Ų | 33.6 | 41% | 0.408 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 178.2 | -66.1 | 174.5 | 0 | 0 | 0 | 111.8 | V283 F284 W290 I291 | V283-L287 HydrophobicContact CG1-CD1 4.35Å; V283-L287 WeakPolarHBondContact O-CG 3.14Å; V283-L287 PolarHBondContact O-N 3.39Å; F284-L287 PolarHBondContact O-N 2.87Å; L287-W290 HydrophobicContact CD2-CE3 4.37Å; L287-W290 PolarHBondContact O-N 3.13Å; L287-I291 WeakPolarHBondContact O-CG1 3.46Å; L287-I291 PolarHBondContact O-N 3.34Å |
| 288 | I | 97.8 | Very high | 96.9 | Very high | 47 Ų | 47 | 35.5 Ų | 35.5 | 24% | 0.241 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -47.1 | 175.3 | -67.7 | -61.7 | 0 | 0 | 0 | 110.9 | F284 M285 W290 I291 W292 M557 I560 | F284-I288 HydrophobicContact CD1-CG1 4.28Å; F284-I288 HydrophobicContact CE1-CG1 3.84Å; F284-I288 HydrophobicContact CE2-CD1 4.25Å; F284-I288 HydrophobicContact CE2-CG1 4.11Å; F284-I288 HydrophobicContact CZ-CD1 4.03Å; F284-I288 HydrophobicContact CZ-CG1 3.75Å; F284-I288 WeakPolarHBondContact O-CG1 3.39Å; F284-I288 PolarHBondContact O-N 3.17Å; M285-I288 PolarHBondContact O-N 2.97Å; I288-W290 VanDerWaalsContact C-N 3.3Å; I288-W290 PolarHBondContact O-N 2.66Å; I288-I291 PolarHBondContact O-N 2.9Å; I288-W292 WeakPolarHBondContact O-CB 3.49Å; I288-W292 PolarHBondContact O-N 3.41Å; I288-M557 HydrophobicContact CG2-CE 4.4Å; I288-M557 HydrophobicContact CG2-SD 4.14Å; I288-I560 HydrophobicContact CG2-CD1 4.31Å; I288-I560 HydrophobicContact CG2-CG2 3.98Å |
| 289 | A | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -42.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M135 I240 M285 F286 W292 L293 M557 | M135-A289 HydrophobicContact CE-CB 3.95Å; I240-A289 HydrophobicContact CD1-CB 3.57Å; M285-A289 VanDerWaalsContact O-CB 3.26Å; M285-A289 WeakPolarHBondContact O-CB 3.28Å; M285-A289 PolarHBondContact O-N 2.98Å; F286-A289 PolarHBondContact O-N 3.41Å; A289-W292 PolarHBondContact O-N 2.97Å; A289-L293 WeakPolarHBondContact O-CB 3.2Å; A289-L293 WeakPolarHBondContact O-CG 3.46Å; A289-L293 PolarHBondContact O-N 3.02Å; A289-M557 HydrophobicContact CB-CE 3.59Å; A289-M557 HydrophobicContact CB-SD 4.25Å |
| 290 | W | 97.4 | Very high | 95.8 | Very high | 48 Ų | 48 | 38.1 Ų | 38.1 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62 | -49.7 | 178.3 | 178.3 | 45.7 | 0 | 0 | 0 | 111.7 | K128 L132 M135 F286 L287 I288 I294 | K128-W290 PolarHBondContact O-NE1 3.11Å; L132-W290 HydrophobicContact CB-CZ2 3.95Å; L132-W290 HydrophobicContact CD1-CD2 3.96Å; L132-W290 HydrophobicContact CD1-CE3 4.23Å; L132-W290 HydrophobicContact CD1-CG 4.34Å; L132-W290 HydrophobicContact CD1-CZ2 4.35Å; L132-W290 HydrophobicContact CD2-CH2 4.09Å; L132-W290 HydrophobicContact CD2-CZ2 3.99Å; L132-W290 HydrophobicContact CG-CZ2 4.33Å; M135-W290 HydrophobicContact CE-CB 4.04Å; M135-W290 HydrophobicContact SD-CB 3.81Å; M135-W290 HydrophobicContact SD-CG 4.15Å; F286-W290 WeakPolarHBondContact O-CB 3.45Å; F286-W290 PolarHBondContact O-N 3.04Å; L287-W290 HydrophobicContact CD2-CE3 4.37Å; L287-W290 PolarHBondContact O-N 3.13Å; I288-W290 VanDerWaalsContact C-N 3.3Å; I288-W290 PolarHBondContact O-N 2.66Å; W290-I294 HydrophobicContact CD2-CD1 4.21Å; W290-I294 HydrophobicContact CG-CD1 4.24Å; W290-I294 HydrophobicContact CZ2-CD1 4.25Å; W290-I294 WeakPolarHBondContact O-CD1 3.49Å; W290-I294 VanDerWaalsContact O-CG1 3.26Å; W290-I294 WeakPolarHBondContact O-CG1 3.31Å; W290-I294 PolarHBondContact O-N 3.12Å; W290-I294 VanDerWaalsContact O-N 3.08Å |
| 291 | I | 96.7 | Very high | 95.2 | Very high | 70 Ų | 70 | 43.6 Ų | 43.6 | 36% | 0.359 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.9 | -45.6 | 178.3 | -66.2 | 166.9 | 0 | 0 | 0 | 110.8 | L287 I288 L293 I294 I295 L303 | L287-I291 WeakPolarHBondContact O-CG1 3.46Å; L287-I291 PolarHBondContact O-N 3.34Å; I288-I291 PolarHBondContact O-N 2.9Å; I291-L293 PolarHBondContact O-N 2.87Å; I291-I294 WeakPolarHBondContact O-CB 3.3Å; I291-I294 PolarHBondContact O-N 3.07Å; I291-I295 HydrophobicContact CG2-CD1 3.82Å; I291-I295 HydrophobicContact CG2-CG1 4.47Å; I291-I295 WeakPolarHBondContact O-CG1 3.43Å; I291-I295 PolarHBondContact O-N 3.32Å; I291-L303 HydrophobicContact CG2-CD1 4.46Å; I291-L303 HydrophobicContact CG2-CD2 4.45Å |
| 292 | W | 97.1 | Very high | 94.4 | Very high | 63 Ų | 63 | 44.2 Ų | 44.2 | 24% | 0.239 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59 | -48 | 180 | 172.3 | -118.3 | 0 | 0 | 0 | 112.1 | I288 A289 I294 I295 L296 A553 P556 M557 | I288-W292 WeakPolarHBondContact O-CB 3.49Å; I288-W292 PolarHBondContact O-N 3.41Å; A289-W292 PolarHBondContact O-N 2.97Å; W292-I294 VanDerWaalsContact C-N 3.33Å; W292-I294 PolarHBondContact O-N 3.41Å; W292-I295 PolarHBondContact O-N 2.84Å; W292-L296 HydrophobicContact CZ2-CD2 4.32Å; W292-L296 WeakPolarHBondContact O-CB 3.27Å; W292-L296 PolarHBondContact O-N 3.46Å; W292-A553 PolarHBondContact NE1-O 3.43Å; W292-P556 HydrophobicContact CH2-CB 4.25Å; W292-P556 HydrophobicContact CH2-CG 4.07Å; W292-P556 HydrophobicContact CZ2-CB 3.83Å; W292-P556 HydrophobicContact CZ2-CG 3.61Å; W292-M557 HydrophobicContact CB-SD 4.14Å; W292-M557 HydrophobicContact CG-CG 4.43Å; W292-M557 HydrophobicContact CG-SD 4.04Å |
| 293 | L | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.8 | -33.4 | 179.1 | -68 | 174.5 | 0 | 0 | 0 | 112.1 | M131 L232 S233 Y236 A289 I291 F297 A553 | M131-L293 HydrophobicContact CE-CB 3.97Å; M131-L293 HydrophobicContact SD-CB 3.74Å; L232-L293 HydrophobicContact CB-CD2 4.42Å; S233-L293 VanDerWaalsContact CA-CD1 3.48Å; Y236-L293 HydrophobicContact CD2-CD1 4.11Å; Y236-L293 HydrophobicContact CD2-CD2 4.29Å; Y236-L293 HydrophobicContact CD2-CG 4.49Å; Y236-L293 HydrophobicContact CE2-CD2 4.17Å; A289-L293 WeakPolarHBondContact O-CB 3.2Å; A289-L293 WeakPolarHBondContact O-CG 3.46Å; A289-L293 PolarHBondContact O-N 3.02Å; I291-L293 PolarHBondContact O-N 2.87Å; L293-F297 HydrophobicContact CB-CD2 4.46Å; L293-F297 HydrophobicContact CD2-CD2 4.09Å; L293-F297 HydrophobicContact CD2-CE2 3.73Å; L293-F297 WeakPolarHBondContact O-CB 3.44Å; L293-F297 WeakPolarHBondContact O-CD2 3.25Å; L293-F297 PolarHBondContact O-N 2.88Å; L293-A553 HydrophobicContact CD2-CB 4.16Å |
| 294 | I | 95 | Very high | 92.8 | Very high | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61 | -50.5 | 170.6 | -71.5 | 164.1 | 0 | 0 | 0 | 110.4 | K128 M131 W290 I291 W292 L296 F298 G299 L303 | K128-I294 HydrophobicContact CB-CD1 3.59Å; K128-I294 HydrophobicContact CB-CG1 4.13Å; M131-I294 HydrophobicContact SD-CG1 4.09Å; W290-I294 HydrophobicContact CD2-CD1 4.21Å; W290-I294 HydrophobicContact CG-CD1 4.24Å; W290-I294 HydrophobicContact CZ2-CD1 4.25Å; W290-I294 WeakPolarHBondContact O-CD1 3.49Å; W290-I294 VanDerWaalsContact O-CG1 3.26Å; W290-I294 WeakPolarHBondContact O-CG1 3.31Å; W290-I294 PolarHBondContact O-N 3.12Å; W290-I294 VanDerWaalsContact O-N 3.08Å; I291-I294 WeakPolarHBondContact O-CB 3.3Å; I291-I294 PolarHBondContact O-N 3.07Å; W292-I294 VanDerWaalsContact C-N 3.33Å; W292-I294 PolarHBondContact O-N 3.41Å; I294-L296 VanDerWaalsContact C-N 3.3Å; I294-L296 PolarHBondContact O-N 2.92Å; I294-F298 HydrophobicContact CB-CD2 4.19Å; I294-F298 HydrophobicContact CG1-CD2 4.03Å; I294-F298 HydrophobicContact CG1-CE2 4.33Å; I294-F298 HydrophobicContact CG2-CB 4.42Å; I294-F298 HydrophobicContact CG2-CD2 4.14Å; I294-F298 CarbonylContact O-C 3.54Å; I294-F298 WeakPolarHBondContact O-CA 3.34Å; I294-F298 VanDerWaalsContact O-CB 3.3Å; I294-F298 WeakPolarHBondContact O-CB 3.25Å; I294-F298 PolarHBondContact O-N 3.36Å; I294-G299 PolarHBondContact O-N 3.38Å; I294-G299 VanDerWaalsContact O-N 3.16Å; I294-L303 HydrophobicContact CB-CD2 4.22Å; I294-L303 HydrophobicContact CD1-CD2 4.2Å; I294-L303 HydrophobicContact CG2-CD2 3.64Å; I294-L303 HydrophobicContact CG2-CG 3.92Å |
| 295 | I | 94.9 | Very high | 91.9 | Very high | 62 Ų | 62 | 49.5 Ų | 49.5 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | -178.9 | -67.7 | 168 | 0 | 0 | 0 | 110.4 | I291 W292 G299 P300 L303 | I291-I295 HydrophobicContact CG2-CD1 3.82Å; I291-I295 HydrophobicContact CG2-CG1 4.47Å; I291-I295 WeakPolarHBondContact O-CG1 3.43Å; I291-I295 PolarHBondContact O-N 3.32Å; W292-I295 PolarHBondContact O-N 2.84Å; I295-G299 WeakPolarHBondContact O-CA 3.37Å; I295-G299 PolarHBondContact O-N 3.26Å; I295-G299 VanDerWaalsContact O-N 3.09Å; I295-P300 HydrophobicContact CG2-CB 4.49Å; I295-L303 HydrophobicContact CD1-CD1 4.05Å; I295-L303 HydrophobicContact CG1-CD1 3.75Å |
| 296 | L | 94.7 | Very high | 91 | Very high | 37 Ų | 37 | 55.8 Ų | 55.8 | 19% | 0.194 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -70.4 | -44.6 | -175.7 | -173.8 | 61.4 | 0 | 0 | 0 | 113.1 | R225 W292 I294 A553 | R225-L296 PolarHBondContact NH2-O 3.28Å; W292-L296 HydrophobicContact CZ2-CD2 4.32Å; W292-L296 WeakPolarHBondContact O-CB 3.27Å; W292-L296 PolarHBondContact O-N 3.46Å; I294-L296 VanDerWaalsContact C-N 3.3Å; I294-L296 PolarHBondContact O-N 2.92Å; L296-A553 HydrophobicContact CD2-CB 3.58Å |
| 297 | F | 93.4 | Very high | 90.1 | Very high | 13 Ų | 13 | 62.4 Ų | 62.4 | 6% | 0.057 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -97.2 | -29.6 | -172.7 | -68.8 | -75 | 0 | 0 | 0 | 114.1 | R225 I228 L232 L293 A553 | R225-F297 VanDerWaalsContact O-CD1 3.27Å; R225-F297 WeakPolarHBondContact O-CD1 3.37Å; I228-F297 HydrophobicContact CB-CD1 4.47Å; I228-F297 HydrophobicContact CB-CE1 4.08Å; I228-F297 HydrophobicContact CG2-CD1 4.29Å; I228-F297 HydrophobicContact CG2-CE1 3.46Å; I228-F297 VanDerWaalsContact CG2-CE1 3.46Å; I228-F297 HydrophobicContact CG2-CZ 3.83Å; L232-F297 HydrophobicContact CD1-CE2 3.81Å; L232-F297 HydrophobicContact CD1-CZ 3.51Å; L293-F297 HydrophobicContact CB-CD2 4.46Å; L293-F297 HydrophobicContact CD2-CD2 4.09Å; L293-F297 HydrophobicContact CD2-CE2 3.73Å; L293-F297 WeakPolarHBondContact O-CB 3.44Å; L293-F297 WeakPolarHBondContact O-CD2 3.25Å; L293-F297 PolarHBondContact O-N 2.88Å; F297-A553 HydrophobicContact CE2-CB 4.47Å |
| 298 | F | 90.9 | Very high | 89.1 | Confident | 39 Ų | 39 | 64.9 Ų | 64.9 | 17% | 0.171 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -109.3 | -12.1 | -179.2 | -49.8 | -42.2 | 0 | 0 | 0 | 113.7 | P127 M131 M226 F230 I294 | P127-F298 HydrophobicContact CB-CD2 4.44Å; P127-F298 HydrophobicContact CB-CE1 4.41Å; P127-F298 HydrophobicContact CB-CE2 4.17Å; P127-F298 HydrophobicContact CB-CZ 4.16Å; M131-F298 HydrophobicContact CE-CE2 3.55Å; M131-F298 HydrophobicContact CE-CZ 3.73Å; M131-F298 HydrophobicContact SD-CE2 4.23Å; M226-F298 HydrophobicContact CB-CE1 3.72Å; M226-F298 HydrophobicContact CE-CD1 4.14Å; M226-F298 HydrophobicContact CE-CE1 3.74Å; M226-F298 HydrophobicContact CE-CZ 4.45Å; M226-F298 HydrophobicContact CG-CE1 3.6Å; M226-F298 HydrophobicContact CG-CZ 4.02Å; M226-F298 HydrophobicContact SD-CE1 4.44Å; F230-F298 HydrophobicContact CD1-CZ 4.28Å; F230-F298 HydrophobicContact CE1-CE2 4.34Å; F230-F298 AromaticContact CE1-CZ 3.72Å; F230-F298 HydrophobicContact CE1-CZ 3.72Å; F230-F298 HydrophobicContact CZ-CZ 4.15Å; I294-F298 HydrophobicContact CB-CD2 4.19Å; I294-F298 HydrophobicContact CG1-CD2 4.03Å; I294-F298 HydrophobicContact CG1-CE2 4.33Å; I294-F298 HydrophobicContact CG2-CB 4.42Å; I294-F298 HydrophobicContact CG2-CD2 4.14Å; I294-F298 CarbonylContact O-C 3.54Å; I294-F298 WeakPolarHBondContact O-CA 3.34Å; I294-F298 VanDerWaalsContact O-CB 3.3Å; I294-F298 WeakPolarHBondContact O-CB 3.25Å; I294-F298 PolarHBondContact O-N 3.36Å |
| 299 | G | 87.5 | Confident | 88.3 | Confident | 17 Ų | 17 | 64 Ų | 64 | 18% | 0.175 | 32% | 0.324 | C | S | . | . | trans | 84.1 | 154.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I294 I295 K301 S302 | I294-G299 PolarHBondContact O-N 3.38Å; I294-G299 VanDerWaalsContact O-N 3.16Å; I295-G299 WeakPolarHBondContact O-CA 3.37Å; I295-G299 PolarHBondContact O-N 3.26Å; I295-G299 VanDerWaalsContact O-N 3.09Å; G299-K301 VanDerWaalsContact C-N 3.29Å; G299-K301 PolarHBondContact O-N 2.98Å; G299-S302 VanDerWaalsContact O-CB 3.23Å; G299-S302 WeakPolarHBondContact O-CB 3.38Å; G299-S302 PolarHBondContact O-N 2.91Å | ||
| 300 | P | 86 | Confident | 87.7 | Confident | 87 Ų | 87 | 71.6 Ų | 71.6 | 57% | 0.565 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -63.2 | -33.2 | -174.1 | 23.7 | -33.6 | 0 | 0 | 0 | 113.1 | I295 S302 L303 | I295-P300 HydrophobicContact CG2-CB 4.49Å; P300-S302 PolarHBondContact O-N 3.48Å; P300-S302 VanDerWaalsContact O-N 3.16Å; P300-L303 WeakPolarHBondContact O-CB 3.44Å; P300-L303 PolarHBondContact O-N 3.37Å; P300-L303 VanDerWaalsContact O-N 3.16Å |
| 301 | K | 84.7 | Confident | 87.1 | Confident | 181 Ų | 181 | 75.9 Ų | 75.9 | 79% | 0.787 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -60.1 | -26.1 | 176.2 | -64.6 | -175.7 | -179.7 | -179.5 | 0 | 112.4 | G299 L303 C304 T305 | G299-K301 VanDerWaalsContact C-N 3.29Å; G299-K301 PolarHBondContact O-N 2.98Å; K301-L303 PolarHBondContact O-N 3.4Å; K301-C304 PolarHBondContact O-N 2.95Å; K301-T305 PolarHBondContact O-N 3.34Å; K301-T305 PolarHBondContact O-OG1 3.4Å |
| 302 | S | 81.8 | Confident | 86.6 | Confident | 17 Ų | 17 | 73.7 Ų | 73.7 | 12% | 0.119 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -66 | -20.1 | 179.7 | -170.5 | 0 | 0 | 0 | 0 | 113.8 | G299 P300 C304 T305 | G299-S302 VanDerWaalsContact O-CB 3.23Å; G299-S302 WeakPolarHBondContact O-CB 3.38Å; G299-S302 PolarHBondContact O-N 2.91Å; P300-S302 PolarHBondContact O-N 3.48Å; P300-S302 VanDerWaalsContact O-N 3.16Å; S302-C304 VanDerWaalsContact C-N 3.32Å; S302-T305 WeakPolarHBondContact CA-OG1 3.43Å |
| 303 | L | 80.3 | Confident | 86.1 | Confident | 68 Ų | 68 | 76.6 Ų | 76.6 | 36% | 0.356 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -66.1 | -37.9 | 176.8 | -71.4 | 167.2 | 0 | 0 | 0 | 111.2 | I291 I294 I295 P300 K301 | I291-L303 HydrophobicContact CG2-CD1 4.46Å; I291-L303 HydrophobicContact CG2-CD2 4.45Å; I294-L303 HydrophobicContact CB-CD2 4.22Å; I294-L303 HydrophobicContact CD1-CD2 4.2Å; I294-L303 HydrophobicContact CG2-CD2 3.64Å; I294-L303 HydrophobicContact CG2-CG 3.92Å; I295-L303 HydrophobicContact CD1-CD1 4.05Å; I295-L303 HydrophobicContact CG1-CD1 3.75Å; P300-L303 WeakPolarHBondContact O-CB 3.44Å; P300-L303 PolarHBondContact O-N 3.37Å; P300-L303 VanDerWaalsContact O-N 3.16Å; K301-L303 PolarHBondContact O-N 3.4Å |
| 304 | C | 83.3 | Confident | 85.8 | Confident | 124 Ų | 124 | 81.8 Ų | 81.8 | 84% | 0.838 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -24.5 | -178.6 | -58.1 | 0 | 0 | 0 | 0 | 113.1 | K301 S302 | K301-C304 PolarHBondContact O-N 2.95Å; S302-C304 VanDerWaalsContact C-N 3.32Å |
| 305 | T | 79.8 | Confident | 85.5 | Confident | 77 Ų | 77 | 85.1 Ų | 85.1 | 47% | 0.472 | 41% | 0.411 | S | S | . | . | trans | -88.8 | 134.5 | -179.1 | 57.5 | 0 | 0 | 0 | 0 | 111.8 | K128 K301 S302 | K128-T305 PolarHBondContact NZ-O 3.27Å; K301-T305 PolarHBondContact O-N 3.34Å; K301-T305 PolarHBondContact O-OG1 3.4Å; S302-T305 WeakPolarHBondContact CA-OG1 3.43Å | ||
| 306 | F | 79.2 | Confident | 85.2 | Confident | 132 Ų | 132 | 82.9 Ų | 82.9 | 58% | 0.579 | 40% | 0.399 | S | S | * | . | trans | -100.7 | 119.3 | 172.5 | -167.4 | -109.6 | 0 | 0 | 0 | 109.7 | D126 Q308 | D126-F306 HydrophobicContact CB-CD2 4.09Å; D126-F306 HydrophobicContact CB-CE2 3.73Å; D126-F306 HydrophobicContact CB-CZ 4.25Å; D126-F306 WeakPolarHBondContact OD2-CD2 3.24Å; D126-F306 WeakPolarHBondContact OD2-CE2 3.37Å; F306-Q308 HydrophobicContact CD1-CG 3.99Å; F306-Q308 HydrophobicContact CE1-CG 3.44Å; F306-Q308 VanDerWaalsContact CE1-CG 3.44Å; F306-Q308 VanDerWaalsContact CE1-NE2 3.3Å; F306-Q308 HydrophobicContact CZ-CG 4.13Å | ||
| 307 | R | 78.7 | Confident | 85.1 | Confident | 148 Ų | 148 | 83.8 Ų | 83.8 | 56% | 0.558 | 41% | 0.412 | S | S | * | . | trans | -122.1 | 94.4 | -175.2 | -171.3 | 178.4 | -179.5 | -175.6 | 0.2 | 111.2 | D126 P127 R312 | D126-R307 WeakPolarHBondContact CA-O 3.48Å; D126-R307 PolarHBondContact OD1-N 2.96Å; P127-R307 WeakPolarHBondContact CD-O 3.31Å; R307-R312 PolarHBondContact O-NH2 3.25Å | ||
| 308 | Q | 77.2 | Confident | 85.1 | Confident | 131 Ų | 131 | 89.8 Ų | 89.8 | 61% | 0.612 | 44% | 0.44 | S | S | * | . | trans | -76 | 145.1 | 171.5 | -65.9 | -157.2 | -10.4 | 0 | 0 | 111.8 | F306 | F306-Q308 HydrophobicContact CD1-CG 3.99Å; F306-Q308 HydrophobicContact CE1-CG 3.44Å; F306-Q308 VanDerWaalsContact CE1-CG 3.44Å; F306-Q308 VanDerWaalsContact CE1-NE2 3.3Å; F306-Q308 HydrophobicContact CZ-CG 4.13Å | ||
| 309 | S | 81.4 | Confident | 85.1 | Confident | 29 Ų | 29 | 89 Ų | 89 | 20% | 0.203 | 44% | 0.438 | C | S | . | . | trans | -133 | 119.3 | 168 | 170.2 | 0 | 0 | 0 | 0 | 108.3 | S125 R312 K313 | S125-S309 VanDerWaalsContact CB-O 3.32Å; S125-S309 WeakPolarHBondContact CB-O 3.38Å; S125-S309 PolarHBondContact OG-N 3.05Å; S125-S309 PolarHBondContact OG-O 2.75Å; S309-R312 VanDerWaalsContact CB-NE 3.32Å; S309-R312 VanDerWaalsContact CB-NH2 3.25Å; S309-R312 PolarHBondContact OG-N 2.95Å; S309-K313 PolarHBondContact O-N 3.41Å; S309-K313 VanDerWaalsContact O-N 3.11Å | ||
| 310 | K | 83.8 | Confident | 85.4 | Confident | 158 Ų | 158 | 88.7 Ų | 88.7 | 69% | 0.687 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.2 | -48.8 | 176.2 | -174 | 174.7 | 174.4 | -177.9 | 0 | 110.6 | R312 K313 E314 | K310-R312 PolarHBondContact O-N 3.33Å; K310-K313 WeakPolarHBondContact O-CB 3.4Å; K310-K313 PolarHBondContact O-N 2.97Å; K310-K313 VanDerWaalsContact O-N 3.08Å; K310-E314 WeakPolarHBondContact CE-OE1 3.49Å; K310-E314 HydrophobicContact CG-CG 4.46Å; K310-E314 VanDerWaalsContact CG-OE1 3.31Å; K310-E314 WeakPolarHBondContact CG-OE1 3.48Å; K310-E314 WeakPolarHBondContact O-CG 3.4Å; K310-E314 PolarHBondContact O-N 3.46Å |
| 311 | R | 85.9 | Confident | 85.8 | Confident | 139 Ų | 139 | 90.5 Ų | 90.5 | 53% | 0.525 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -51.7 | -49.4 | 176.1 | -172.6 | 177 | -177.9 | -167.5 | -4.7 | 113 | E314 R315 | R311-E314 PolarHBondContact O-N 2.91Å; R311-R315 WeakPolarHBondContact O-CB 3.26Å; R311-R315 VanDerWaalsContact O-CG 3.27Å; R311-R315 WeakPolarHBondContact O-CG 3.46Å; R311-R315 PolarHBondContact O-N 3.44Å |
| 312 | R | 85.3 | Confident | 86.2 | Confident | 23 Ų | 23 | 83.4 Ų | 83.4 | 9% | 0.087 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 178.3 | -72.9 | -176.1 | -74.6 | 128.6 | 3.4 | 112.5 | S125 P127 R307 S309 K310 L316 | S125-R312 PolarHBondContact O-NH1 3.11Å; P127-R312 VanDerWaalsContact CG-NH1 3.34Å; R307-R312 PolarHBondContact O-NH2 3.25Å; S309-R312 VanDerWaalsContact CB-NE 3.32Å; S309-R312 VanDerWaalsContact CB-NH2 3.25Å; S309-R312 PolarHBondContact OG-N 2.95Å; K310-R312 PolarHBondContact O-N 3.33Å; R312-L316 WeakPolarHBondContact O-CB 3.46Å; R312-L316 PolarHBondContact O-N 3.3Å |
| 313 | K | 88 | Confident | 86.7 | Confident | 124 Ų | 124 | 83.6 Ų | 83.6 | 54% | 0.539 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.1 | -48.4 | 176.4 | -161.6 | 177.8 | 176.2 | -178.9 | 0 | 111.3 | S309 K310 A317 | S309-K313 PolarHBondContact O-N 3.41Å; S309-K313 VanDerWaalsContact O-N 3.11Å; K310-K313 WeakPolarHBondContact O-CB 3.4Å; K310-K313 PolarHBondContact O-N 2.97Å; K310-K313 VanDerWaalsContact O-N 3.08Å; K313-A317 WeakPolarHBondContact O-CB 3.43Å; K313-A317 PolarHBondContact O-N 3.33Å |
| 314 | E | 90 | Very high | 87.3 | Confident | 109 Ų | 109 | 84.3 Ų | 84.3 | 51% | 0.509 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.1 | -42.1 | -178.5 | -71.9 | 168.7 | 173 | 0 | 0 | 111.6 | K310 R311 A317 H318 | K310-E314 WeakPolarHBondContact CE-OE1 3.49Å; K310-E314 HydrophobicContact CG-CG 4.46Å; K310-E314 VanDerWaalsContact CG-OE1 3.31Å; K310-E314 WeakPolarHBondContact CG-OE1 3.48Å; K310-E314 WeakPolarHBondContact O-CG 3.4Å; K310-E314 PolarHBondContact O-N 3.46Å; R311-E314 PolarHBondContact O-N 2.91Å; E314-A317 PolarHBondContact O-N 2.66Å; E314-H318 WeakPolarHBondContact O-CB 3.35Å; E314-H318 PolarHBondContact O-N 3.2Å |
| 315 | R | 88.4 | Confident | 87.8 | Confident | 72 Ų | 72 | 84.4 Ų | 84.4 | 27% | 0.272 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64 | -46.3 | 175.9 | -74 | 172.6 | 170.3 | -176.4 | -21.4 | 112.9 | L161 D164 R311 A317 H318 I319 | L161-R315 HydrophobicContact CD1-CB 3.94Å; D164-R315 IonicContact OD1-CZ 2.87Å; D164-R315 IonicContact OD1-NE 3.68Å; D164-R315 IonicContact OD1-NH1 2.9Å; D164-R315 PolarHBondContact OD1-NH1 3.36Å; D164-R315 IonicContact OD1-NH2 2.74Å; D164-R315 PolarHBondContact OD1-NH2 3.09Å; D164-R315 WeakPolarHBondContact OD2-CD 3.4Å; D164-R315 IonicContact OD2-CZ 2.97Å; D164-R315 IonicContact OD2-NE 3.35Å; D164-R315 PolarHBondContact OD2-NE 2.97Å; D164-R315 IonicContact OD2-NH1 2.54Å; D164-R315 PolarHBondContact OD2-NH1 3.09Å; D164-R315 IonicContact OD2-NH2 3.71Å; R311-R315 WeakPolarHBondContact O-CB 3.26Å; R311-R315 VanDerWaalsContact O-CG 3.27Å; R311-R315 WeakPolarHBondContact O-CG 3.46Å; R311-R315 PolarHBondContact O-N 3.44Å; R315-A317 VanDerWaalsContact C-N 3.31Å; R315-A317 PolarHBondContact O-N 3.41Å; R315-H318 WeakPolarHBondContact O-CB 3.44Å; R315-H318 PolarHBondContact O-N 2.88Å; R315-I319 WeakPolarHBondContact O-CG1 3.38Å; R315-I319 PolarHBondContact O-N 3.38Å |
| 316 | L | 90 | Very high | 88.4 | Confident | 15 Ų | 15 | 88.1 Ų | 88.1 | 8% | 0.079 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 174 | 178.5 | 65.3 | 0 | 0 | 0 | 110.4 | L130 L161 R312 H318 I319 L320 | L130-L316 HydrophobicContact CD1-CD2 3.65Å; L161-L316 HydrophobicContact CD2-CB 4.49Å; L161-L316 HydrophobicContact CD2-CD1 4.19Å; R312-L316 WeakPolarHBondContact O-CB 3.46Å; R312-L316 PolarHBondContact O-N 3.3Å; L316-H318 VanDerWaalsContact C-N 3.3Å; L316-H318 PolarHBondContact O-N 3.23Å; L316-I319 PolarHBondContact O-N 3.33Å; L316-L320 HydrophobicContact CD1-CD1 4.06Å; L316-L320 HydrophobicContact CD1-CD2 4.38Å; L316-L320 HydrophobicContact CD1-CG 4Å; L316-L320 HydrophobicContact CD2-CD1 4.45Å; L316-L320 HydrophobicContact CG-CD1 3.88Å; L316-L320 HydrophobicContact CG-CG 4.2Å; L316-L320 WeakPolarHBondContact O-CB 3.44Å; L316-L320 VanDerWaalsContact O-CG 3.24Å; L316-L320 WeakPolarHBondContact O-CG 3.34Å; L316-L320 PolarHBondContact O-N 2.93Å |
| 317 | A | 92.3 | Very high | 88.9 | Confident | 57 Ų | 57 | 82.7 Ų | 82.7 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.7 | -40.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | K313 E314 R315 L320 K321 | K313-A317 WeakPolarHBondContact O-CB 3.43Å; K313-A317 PolarHBondContact O-N 3.33Å; E314-A317 PolarHBondContact O-N 2.66Å; R315-A317 VanDerWaalsContact C-N 3.31Å; R315-A317 PolarHBondContact O-N 3.41Å; A317-L320 PolarHBondContact O-N 3.41Å; A317-K321 VanDerWaalsContact O-CB 3.23Å; A317-K321 WeakPolarHBondContact O-CB 3.24Å; A317-K321 PolarHBondContact O-N 3.38Å |
| 318 | H | 92.6 | Very high | 89.6 | Confident | 138 Ų | 138 | 77.2 Ų | 77.2 | 64% | 0.639 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -63.2 | -47.2 | 175.3 | -177.9 | -86.4 | 0 | 0 | 0 | 112 | E314 R315 L316 L320 K321 A322 | E314-H318 WeakPolarHBondContact O-CB 3.35Å; E314-H318 PolarHBondContact O-N 3.2Å; R315-H318 WeakPolarHBondContact O-CB 3.44Å; R315-H318 PolarHBondContact O-N 2.88Å; L316-H318 VanDerWaalsContact C-N 3.3Å; L316-H318 PolarHBondContact O-N 3.23Å; H318-L320 PolarHBondContact O-N 3.46Å; H318-K321 PolarHBondContact O-N 3.05Å; H318-A322 WeakPolarHBondContact O-CB 3.46Å; H318-A322 PolarHBondContact O-N 3.32Å |
| 319 | I | 91.7 | Very high | 90.3 | Very high | 24 Ų | 24 | 75.7 Ų | 75.7 | 12% | 0.123 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 177 | -68 | 164.2 | 0 | 0 | 0 | 110.7 | I157 P160 L161 R315 L316 K321 A322 E323 | I157-I319 WeakPolarHBondContact O-CG2 3.17Å; P160-I319 HydrophobicContact CB-CD1 3.98Å; P160-I319 HydrophobicContact CB-CG1 4.31Å; L161-I319 HydrophobicContact CB-CD1 3.58Å; L161-I319 HydrophobicContact CD1-CD1 4.26Å; L161-I319 HydrophobicContact CG-CD1 4.48Å; R315-I319 WeakPolarHBondContact O-CG1 3.38Å; R315-I319 PolarHBondContact O-N 3.38Å; L316-I319 PolarHBondContact O-N 3.33Å; I319-K321 VanDerWaalsContact C-N 3.32Å; I319-K321 PolarHBondContact O-N 3.04Å; I319-A322 PolarHBondContact O-N 3.42Å; I319-E323 WeakPolarHBondContact O-CG 3.5Å; I319-E323 PolarHBondContact O-N 3.29Å |
| 320 | L | 93.1 | Very high | 90.8 | Very high | 10 Ų | 10 | 79.4 Ų | 79.4 | 5% | 0.052 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -66 | -35.2 | 179.1 | -65.8 | 179.6 | 0 | 0 | 0 | 112.2 | I117 L120 K121 L316 A317 H318 Q324 | I117-L320 HydrophobicContact CG1-CD2 4.46Å; I117-L320 HydrophobicContact CG2-CD2 4.36Å; L120-L320 HydrophobicContact CB-CD1 3.99Å; L120-L320 HydrophobicContact CB-CD2 3.71Å; L120-L320 HydrophobicContact CD1-CD2 3.76Å; L120-L320 HydrophobicContact CG-CD2 4.35Å; K121-L320 HydrophobicContact CG-CD1 4.13Å; L316-L320 HydrophobicContact CD1-CD1 4.06Å; L316-L320 HydrophobicContact CD1-CD2 4.38Å; L316-L320 HydrophobicContact CD1-CG 4Å; L316-L320 HydrophobicContact CD2-CD1 4.45Å; L316-L320 HydrophobicContact CG-CD1 3.88Å; L316-L320 HydrophobicContact CG-CG 4.2Å; L316-L320 WeakPolarHBondContact O-CB 3.44Å; L316-L320 VanDerWaalsContact O-CG 3.24Å; L316-L320 WeakPolarHBondContact O-CG 3.34Å; L316-L320 PolarHBondContact O-N 2.93Å; A317-L320 PolarHBondContact O-N 3.41Å; H318-L320 PolarHBondContact O-N 3.46Å; L320-Q324 WeakPolarHBondContact O-CB 3.43Å; L320-Q324 PolarHBondContact O-N 3.21Å |
| 321 | K | 93.9 | Very high | 91.2 | Very high | 125 Ų | 125 | 77 Ų | 77 | 54% | 0.543 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.7 | -46.5 | 174.7 | -169.7 | -174.4 | -178.3 | -161.6 | 0 | 110.7 | A317 H318 I319 E323 Q324 E325 | A317-K321 VanDerWaalsContact O-CB 3.23Å; A317-K321 WeakPolarHBondContact O-CB 3.24Å; A317-K321 PolarHBondContact O-N 3.38Å; H318-K321 PolarHBondContact O-N 3.05Å; I319-K321 VanDerWaalsContact C-N 3.32Å; I319-K321 PolarHBondContact O-N 3.04Å; K321-E323 PolarHBondContact O-N 3.33Å; K321-Q324 PolarHBondContact O-N 3.29Å; K321-E325 WeakPolarHBondContact CE-OE1 3.32Å; K321-E325 IonicContact NZ-OE1 3.82Å; K321-E325 WeakPolarHBondContact O-CB 3.32Å; K321-E325 VanDerWaalsContact O-CG 3.31Å; K321-E325 WeakPolarHBondContact O-CG 3.22Å; K321-E325 PolarHBondContact O-N 2.98Å |
| 322 | A | 94.1 | Very high | 91.6 | Very high | 32 Ų | 32 | 74.2 Ų | 74.2 | 26% | 0.264 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | H318 I319 E325 K326 | H318-A322 WeakPolarHBondContact O-CB 3.46Å; H318-A322 PolarHBondContact O-N 3.32Å; I319-A322 PolarHBondContact O-N 3.42Å; A322-E325 PolarHBondContact O-N 3.12Å; A322-K326 WeakPolarHBondContact O-CG 3.35Å; A322-K326 PolarHBondContact O-N 3.48Å; A322-K326 VanDerWaalsContact O-N 3.07Å |
| 323 | E | 92 | Very high | 92 | Very high | 21 Ų | 21 | 73.3 Ų | 73.3 | 10% | 0.098 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -67.3 | -36.1 | 175 | -72.4 | -61 | 118.4 | 0 | 0 | 112.4 | R113 I117 I157 I319 K321 K326 L327 | R113-E323 IonicContact NH1-OE2 2.8Å; I117-E323 HydrophobicContact CD1-CB 3.7Å; I117-E323 HydrophobicContact CG1-CB 4.47Å; I157-E323 HydrophobicContact CG2-CG 4.49Å; I319-E323 WeakPolarHBondContact O-CG 3.5Å; I319-E323 PolarHBondContact O-N 3.29Å; K321-E323 PolarHBondContact O-N 3.33Å; E323-K326 PolarHBondContact O-N 3.08Å; E323-K326 IonicContact OE1-NZ 2.77Å; E323-K326 PolarHBondContact OE1-NZ 2.8Å; E323-L327 WeakPolarHBondContact O-CG 3.43Å; E323-L327 PolarHBondContact O-N 3.24Å |
| 324 | Q | 92.9 | Very high | 92.4 | Very high | 83 Ų | 83 | 68 Ų | 68 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 174.3 | -179.5 | 176.3 | -11.5 | 0 | 0 | 112.2 | L320 K321 L327 G328 | L320-Q324 WeakPolarHBondContact O-CB 3.43Å; L320-Q324 PolarHBondContact O-N 3.21Å; K321-Q324 PolarHBondContact O-N 3.29Å; Q324-L327 PolarHBondContact O-N 3.36Å; Q324-G328 PolarHBondContact O-N 2.95Å |
| 325 | E | 93.8 | Very high | 92.7 | Very high | 126 Ų | 126 | 67.9 Ų | 67.9 | 59% | 0.589 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -63.5 | -40.6 | 175.6 | -75.6 | 170.2 | -176.3 | 0 | 0 | 111.2 | K321 A322 L327 G328 | K321-E325 WeakPolarHBondContact CE-OE1 3.32Å; K321-E325 IonicContact NZ-OE1 3.82Å; K321-E325 WeakPolarHBondContact O-CB 3.32Å; K321-E325 VanDerWaalsContact O-CG 3.31Å; K321-E325 WeakPolarHBondContact O-CG 3.22Å; K321-E325 PolarHBondContact O-N 2.98Å; A322-E325 PolarHBondContact O-N 3.12Å; E325-L327 VanDerWaalsContact C-N 3.31Å; E325-L327 PolarHBondContact O-N 3.39Å; E325-G328 PolarHBondContact O-N 2.77Å |
| 326 | K | 91.5 | Very high | 93.1 | Very high | 155 Ų | 155 | 66 Ų | 66 | 67% | 0.674 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.5 | -37.7 | 173 | -70.7 | 174.2 | -171.3 | 172 | 0 | 113.1 | A322 E323 | A322-K326 WeakPolarHBondContact O-CG 3.35Å; A322-K326 PolarHBondContact O-N 3.48Å; A322-K326 VanDerWaalsContact O-N 3.07Å; E323-K326 PolarHBondContact O-N 3.08Å; E323-K326 IonicContact OE1-NZ 2.77Å; E323-K326 PolarHBondContact OE1-NZ 2.8Å |
| 327 | L | 91.1 | Very high | 93.4 | Very high | 18 Ų | 18 | 65.3 Ų | 65.3 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -78.8 | -33.2 | 179.4 | -69.3 | 174.4 | 0 | 0 | 0 | 112.8 | Y110 R113 R114 I117 E323 Q324 E325 | Y110-L327 HydrophobicContact CD1-CD2 4.49Å; Y110-L327 HydrophobicContact CG-CD2 4.17Å; R113-L327 HydrophobicContact CB-CD1 4.2Å; R113-L327 HydrophobicContact CB-CD2 4.29Å; R114-L327 HydrophobicContact CB-CD1 4.46Å; I117-L327 HydrophobicContact CD1-CD1 3.53Å; E323-L327 WeakPolarHBondContact O-CG 3.43Å; E323-L327 PolarHBondContact O-N 3.24Å; Q324-L327 PolarHBondContact O-N 3.36Å; E325-L327 VanDerWaalsContact C-N 3.31Å; E325-L327 PolarHBondContact O-N 3.39Å |
| 328 | G | 92 | Very high | 93.6 | Very high | 32 Ų | 32 | 63.4 Ų | 63.4 | 33% | 0.33 | 32% | 0.324 | S | S | . | . | trans | 67.6 | -161 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | R114 Q324 E325 | R114-G328 PolarHBondContact NH1-O 3.44Å; R114-G328 PolarHBondContact NH2-O 3.32Å; Q324-G328 PolarHBondContact O-N 2.95Å; E325-G328 PolarHBondContact O-N 2.77Å | ||
| 329 | S | 91.9 | Very high | 93.7 | Very high | 100 Ų | 100 | 59.2 Ų | 59.2 | 70% | 0.699 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -64.8 | 160.3 | 176.5 | 58.6 | 0 | 0 | 0 | 0 | 111.9 | R114 K331 | R114-S329 PolarHBondContact NH2-O 3Å; S329-K331 PolarHBondContact O-N 2.97Å |
| 330 | I | 92.2 | Very high | 94 | Very high | 107 Ų | 107 | 58.8 Ų | 58.8 | 55% | 0.549 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 119.1 | 179.3 | -60.6 | 175.8 | 0 | 0 | 0 | 108.9 | E334 I335 | I330-E334 HydrophobicContact CG2-CB 4.47Å; I330-I335 HydrophobicContact CG2-CD1 3.83Å; I330-I335 HydrophobicContact CG2-CG1 3.59Å |
| 331 | K | 92.2 | Very high | 94.1 | Very high | 106 Ų | 106 | 59.6 Ų | 59.6 | 46% | 0.461 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 157.4 | 179.1 | -61.4 | 175.4 | -174.2 | 173.5 | 0 | 111.2 | S329 C333 E334 I335 | S329-K331 PolarHBondContact O-N 2.97Å; K331-C333 VanDerWaalsContact C-N 3.32Å; K331-C333 PolarHBondContact O-N 3.37Å; K331-E334 HydrophobicContact CB-CG 4.28Å; K331-E334 WeakPolarHBondContact CB-OE1 3.47Å; K331-E334 PolarHBondContact N-OE1 2.93Å; K331-E334 WeakPolarHBondContact O-CB 3.25Å; K331-E334 PolarHBondContact O-N 3.28Å; K331-E334 VanDerWaalsContact O-N 3.14Å; K331-I335 PolarHBondContact O-N 3.28Å |
| 332 | Y | 94.3 | Very high | 94.2 | Very high | 81 Ų | 81 | 59 Ų | 59 | 32% | 0.318 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.4 | -42.9 | 176.2 | 172.8 | -94.4 | 0 | 0 | 0 | 112.7 | E334 I335 L336 A392 S393 N394 | Y332-E334 PolarHBondContact O-N 3.45Å; Y332-I335 PolarHBondContact O-N 3.48Å; Y332-L336 HydrophobicContact CE1-CB 4.36Å; Y332-L336 HydrophobicContact CE1-CD2 3.7Å; Y332-L336 PolarHBondContact O-N 3.22Å; Y332-A392 WeakPolarHBondContact CD1-O 3.4Å; Y332-S393 VanDerWaalsContact CD1-C 3.43Å; Y332-S393 WeakPolarHBondContact CE1-O 3.47Å; Y332-N394 HydrophobicContact CD2-CB 4.18Å; Y332-N394 HydrophobicContact CG-CB 4.08Å |
| 333 | C | 94.7 | Very high | 94.3 | Very high | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.034 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.8 | -31.5 | 178.3 | 58.8 | 0 | 0 | 0 | 0 | 113.3 | N109 K331 S337 A392 L420 | N109-C333 HydrophobicContact CB-CB 4.44Å; N109-C333 WeakPolarHBondContact OD1-CB 3.45Å; K331-C333 VanDerWaalsContact C-N 3.32Å; K331-C333 PolarHBondContact O-N 3.37Å; C333-S337 VanDerWaalsContact O-CB 3.23Å; C333-S337 WeakPolarHBondContact O-CB 3.28Å; C333-S337 PolarHBondContact O-N 2.87Å; C333-S337 PolarHBondContact O-OG 3.24Å; C333-A392 HydrophobicContact CB-CB 3.87Å; C333-A392 VanDerWaalsContact CB-O 3.29Å; C333-A392 WeakPolarHBondContact CB-O 3.29Å; C333-A392 PolarHBondContact N-O 3.32Å; C333-L420 HydrophobicContact CB-CD2 3.9Å |
| 334 | E | 95.3 | Very high | 94.5 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 6% | 0.056 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -69.3 | -47 | 178.3 | -67.2 | -179.5 | -106.2 | 0 | 0 | 111.1 | N109 V111 R114 I330 K331 Y332 G338 | N109-E334 WeakPolarHBondContact O-CG 3.3Å; V111-E334 HydrophobicContact CG2-CB 3.82Å; V111-E334 HydrophobicContact CG2-CG 4.09Å; V111-E334 WeakPolarHBondContact CG2-O 3.22Å; R114-E334 IonicContact CZ-OE1 3.73Å; R114-E334 IonicContact CZ-OE2 3.21Å; R114-E334 IonicContact NE-OE1 3.86Å; R114-E334 IonicContact NE-OE2 2.65Å; R114-E334 PolarHBondContact NE-OE2 3.34Å; R114-E334 VanDerWaalsContact NH2-CD 3.26Å; R114-E334 IonicContact NH2-OE1 2.8Å; R114-E334 PolarHBondContact NH2-OE1 2.88Å; R114-E334 IonicContact NH2-OE2 2.94Å; R114-E334 PolarHBondContact NH2-OE2 2.89Å; I330-E334 HydrophobicContact CG2-CB 4.47Å; K331-E334 HydrophobicContact CB-CG 4.28Å; K331-E334 WeakPolarHBondContact CB-OE1 3.47Å; K331-E334 PolarHBondContact N-OE1 2.93Å; K331-E334 WeakPolarHBondContact O-CB 3.25Å; K331-E334 PolarHBondContact O-N 3.28Å; K331-E334 VanDerWaalsContact O-N 3.14Å; Y332-E334 PolarHBondContact O-N 3.45Å; E334-G338 PolarHBondContact O-N 3.14Å |
| 335 | I | 96.4 | Very high | 94.5 | Very high | 107 Ų | 107 | 57.3 Ų | 57.3 | 55% | 0.549 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.2 | -48 | 177.3 | -62 | 172.7 | 0 | 0 | 0 | 109.8 | I330 K331 Y332 G338 A339 | I330-I335 HydrophobicContact CG2-CD1 3.83Å; I330-I335 HydrophobicContact CG2-CG1 3.59Å; K331-I335 PolarHBondContact O-N 3.28Å; Y332-I335 PolarHBondContact O-N 3.48Å; I335-G338 PolarHBondContact O-N 3.02Å; I335-A339 WeakPolarHBondContact O-CB 3.27Å; I335-A339 PolarHBondContact O-N 2.9Å |
| 336 | L | 97.1 | Very high | 94.5 | Very high | 32 Ų | 32 | 55 Ų | 55 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.4 | -43.1 | -178.4 | -176 | 57.5 | 0 | 0 | 0 | 112.1 | Y332 G338 A339 L340 L390 L420 | Y332-L336 HydrophobicContact CE1-CB 4.36Å; Y332-L336 HydrophobicContact CE1-CD2 3.7Å; Y332-L336 PolarHBondContact O-N 3.22Å; L336-G338 VanDerWaalsContact C-N 3.34Å; L336-G338 PolarHBondContact O-N 3.06Å; L336-A339 PolarHBondContact O-N 3.05Å; L336-L340 WeakPolarHBondContact O-CG 3.48Å; L336-L340 PolarHBondContact O-N 2.8Å; L336-L390 HydrophobicContact CD2-CB 4.21Å; L336-L390 HydrophobicContact CD2-CD1 4.46Å; L336-L420 HydrophobicContact CB-CD2 4.24Å; L336-L420 HydrophobicContact CD2-CD1 3.74Å; L336-L420 HydrophobicContact CD2-CD2 4.13Å; L336-L420 HydrophobicContact CD2-CG 4.31Å; L336-L420 HydrophobicContact CG-CD1 3.83Å; L336-L420 HydrophobicContact CG-CD2 4.29Å |
| 337 | S | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 174.8 | -58.3 | 0 | 0 | 0 | 0 | 111.6 | M102 N109 C333 L340 F341 | M102-S337 VanDerWaalsContact CE-O 3.28Å; M102-S337 WeakPolarHBondContact CE-O 3.48Å; N109-S337 PolarHBondContact ND2-OG 3.47Å; C333-S337 VanDerWaalsContact O-CB 3.23Å; C333-S337 WeakPolarHBondContact O-CB 3.28Å; C333-S337 PolarHBondContact O-N 2.87Å; C333-S337 PolarHBondContact O-OG 3.24Å; S337-L340 PolarHBondContact O-N 3.38Å; S337-F341 WeakPolarHBondContact O-CB 3.47Å; S337-F341 PolarHBondContact O-N 2.71Å |
| 338 | G | 95.5 | Very high | 94.6 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 18% | 0.175 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E334 I335 L336 F341 L342 | E334-G338 PolarHBondContact O-N 3.14Å; I335-G338 PolarHBondContact O-N 3.02Å; L336-G338 VanDerWaalsContact C-N 3.34Å; L336-G338 PolarHBondContact O-N 3.06Å; G338-F341 PolarHBondContact O-N 3.44Å; G338-L342 WeakPolarHBondContact O-CB 3.33Å; G338-L342 VanDerWaalsContact O-CG 3.32Å; G338-L342 WeakPolarHBondContact O-CG 3.31Å; G338-L342 PolarHBondContact O-N 2.82Å |
| 339 | A | 96.5 | Very high | 94.5 | Very high | 50 Ų | 50 | 50.9 Ų | 50.9 | 41% | 0.413 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65 | -45 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I335 L336 F341 L342 L343 | I335-A339 WeakPolarHBondContact O-CB 3.27Å; I335-A339 PolarHBondContact O-N 2.9Å; L336-A339 PolarHBondContact O-N 3.05Å; A339-F341 VanDerWaalsContact C-N 3.3Å; A339-F341 PolarHBondContact O-N 3.36Å; A339-L342 PolarHBondContact O-N 3.34Å; A339-L343 VanDerWaalsContact O-CB 3.28Å; A339-L343 WeakPolarHBondContact O-CB 3.39Å; A339-L343 PolarHBondContact O-N 3Å |
| 340 | L | 97.2 | Very high | 94.4 | Very high | 15 Ų | 15 | 48.4 Ų | 48.4 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 174.8 | -70.6 | 176.9 | 0 | 0 | 0 | 111.8 | M102 L336 S337 L343 L344 M383 M386 L390 L420 | M102-L340 HydrophobicContact CE-CB 3.81Å; M102-L340 HydrophobicContact SD-CB 4.06Å; L336-L340 WeakPolarHBondContact O-CG 3.48Å; L336-L340 PolarHBondContact O-N 2.8Å; S337-L340 PolarHBondContact O-N 3.38Å; L340-L343 PolarHBondContact O-N 2.69Å; L340-L344 WeakPolarHBondContact O-CB 3.28Å; L340-L344 PolarHBondContact O-N 3.13Å; L340-M383 HydrophobicContact CD2-SD 3.89Å; L340-M386 HydrophobicContact CD2-CB 4.42Å; L340-L390 HydrophobicContact CD1-CD1 4.04Å; L340-L390 HydrophobicContact CD2-CD1 4.2Å; L340-L420 HydrophobicContact CD1-CD1 3.66Å |
| 341 | F | 95.7 | Very high | 94.2 | Very high | 27 Ų | 27 | 44.5 Ų | 44.5 | 12% | 0.118 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.7 | -44 | 177.2 | 179.8 | -104.9 | 0 | 0 | 0 | 112.9 | M102 I106 W144 S337 G338 A339 L343 L344 T345 | M102-F341 HydrophobicContact CE-CB 4.21Å; M102-F341 HydrophobicContact CG-CB 4.47Å; M102-F341 HydrophobicContact CG-CD2 4.1Å; I106-F341 HydrophobicContact CD1-CB 3.64Å; I106-F341 HydrophobicContact CD1-CD1 4.07Å; I106-F341 HydrophobicContact CD1-CD2 3.23Å; I106-F341 HydrophobicContact CD1-CE2 3.84Å; I106-F341 HydrophobicContact CD1-CG 3.34Å; I106-F341 HydrophobicContact CD1-CZ 4.48Å; I106-F341 HydrophobicContact CG1-CB 4.29Å; I106-F341 HydrophobicContact CG1-CG 4.45Å; W144-F341 HydrophobicContact CB-CE2 3.93Å; W144-F341 HydrophobicContact CB-CZ 3.64Å; W144-F341 AromaticContact CD1-CZ 3.92Å; W144-F341 HydrophobicContact CD2-CE1 4.33Å; W144-F341 HydrophobicContact CD2-CE2 4.33Å; W144-F341 AromaticContact CD2-CZ 3.47Å; W144-F341 HydrophobicContact CD2-CZ 3.47Å; W144-F341 VanDerWaalsContact CD2-CZ 3.47Å; W144-F341 HydrophobicContact CE3-CE2 4.33Å; W144-F341 AromaticContact CE3-CZ 3.77Å; W144-F341 HydrophobicContact CE3-CZ 3.77Å; W144-F341 HydrophobicContact CG-CE1 4.29Å; W144-F341 HydrophobicContact CG-CE2 4.17Å; W144-F341 AromaticContact CG-CZ 3.4Å; W144-F341 HydrophobicContact CG-CZ 3.4Å; S337-F341 WeakPolarHBondContact O-CB 3.47Å; S337-F341 PolarHBondContact O-N 2.71Å; G338-F341 PolarHBondContact O-N 3.44Å; A339-F341 VanDerWaalsContact C-N 3.3Å; A339-F341 PolarHBondContact O-N 3.36Å; F341-L343 VanDerWaalsContact C-N 3.29Å; F341-L343 PolarHBondContact O-N 2.92Å; F341-L344 PolarHBondContact O-N 3.46Å; F341-T345 HydrophobicContact CE1-CG2 4.01Å; F341-T345 HydrophobicContact CE2-CG2 4.03Å; F341-T345 HydrophobicContact CZ-CG2 3.73Å; F341-T345 WeakPolarHBondContact O-CG2 3.34Å; F341-T345 PolarHBondContact O-N 3.37Å; F341-T345 PolarHBondContact O-OG1 3.46Å |
| 342 | L | 95.2 | Very high | 93.7 | Very high | 113 Ų | 113 | 43.4 Ų | 43.4 | 59% | 0.592 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.3 | -38.1 | 173.9 | -72.9 | 173.7 | 0 | 0 | 0 | 111.5 | G338 A339 T345 T346 | G338-L342 WeakPolarHBondContact O-CB 3.33Å; G338-L342 VanDerWaalsContact O-CG 3.32Å; G338-L342 WeakPolarHBondContact O-CG 3.31Å; G338-L342 PolarHBondContact O-N 2.82Å; A339-L342 PolarHBondContact O-N 3.34Å; L342-T345 WeakPolarHBondContact CA-OG1 3.43Å; L342-T345 PolarHBondContact O-OG1 3.5Å; L342-T346 VanDerWaalsContact O-CB 3.28Å; L342-T346 WeakPolarHBondContact O-CB 3.31Å; L342-T346 PolarHBondContact O-N 3.07Å; L342-T346 PolarHBondContact O-OG1 2.89Å |
| 343 | L | 96.7 | Very high | 93 | Very high | 81 Ų | 81 | 44.4 Ų | 44.4 | 42% | 0.424 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63 | -47.5 | 173.7 | 179.8 | 60.4 | 0 | 0 | 0 | 111.1 | A339 L340 F341 T345 T346 L347 M383 | A339-L343 VanDerWaalsContact O-CB 3.28Å; A339-L343 WeakPolarHBondContact O-CB 3.39Å; A339-L343 PolarHBondContact O-N 3Å; L340-L343 PolarHBondContact O-N 2.69Å; F341-L343 VanDerWaalsContact C-N 3.29Å; F341-L343 PolarHBondContact O-N 2.92Å; L343-T345 PolarHBondContact O-N 3.01Å; L343-T346 PolarHBondContact O-N 3.26Å; L343-L347 HydrophobicContact CD1-CD1 4.17Å; L343-L347 HydrophobicContact CD1-CG 4.21Å; L343-L347 HydrophobicContact CG-CD1 4.01Å; L343-L347 HydrophobicContact CG-CG 4.47Å; L343-L347 WeakPolarHBondContact O-CB 3.24Å; L343-L347 VanDerWaalsContact O-CG 3.28Å; L343-L347 WeakPolarHBondContact O-CG 3.46Å; L343-L347 PolarHBondContact O-N 3.36Å; L343-M383 HydrophobicContact CD2-CE 3.65Å; L343-M383 HydrophobicContact CD2-SD 3.92Å; L343-M383 HydrophobicContact CG-CE 4.11Å; L343-M383 HydrophobicContact CG-SD 4.34Å |
| 344 | L | 96.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -56.5 | -51.9 | 177.6 | 178.5 | 54.8 | 0 | 0 | 0 | 112 | M102 L340 F341 T346 L347 W348 P379 A380 M383 | M102-L344 HydrophobicContact CB-CD2 3.91Å; M102-L344 HydrophobicContact CG-CD2 3.92Å; L340-L344 WeakPolarHBondContact O-CB 3.28Å; L340-L344 PolarHBondContact O-N 3.13Å; F341-L344 PolarHBondContact O-N 3.46Å; L344-T346 VanDerWaalsContact C-N 3.32Å; L344-T346 PolarHBondContact O-N 2.77Å; L344-L347 PolarHBondContact O-N 2.93Å; L344-W348 HydrophobicContact CD1-CD2 4.1Å; L344-W348 HydrophobicContact CD1-CH2 4.08Å; L344-W348 HydrophobicContact CD1-CZ2 3.63Å; L344-W348 HydrophobicContact CD2-CH2 3.56Å; L344-W348 HydrophobicContact CD2-CZ2 3.89Å; L344-W348 HydrophobicContact CD2-CZ3 4.07Å; L344-W348 HydrophobicContact CG-CD2 4.21Å; L344-W348 HydrophobicContact CG-CE3 4.13Å; L344-W348 HydrophobicContact CG-CH2 3.71Å; L344-W348 HydrophobicContact CG-CZ2 3.81Å; L344-W348 HydrophobicContact CG-CZ3 3.88Å; L344-W348 PolarHBondContact O-N 3.35Å; L344-P379 HydrophobicContact CD1-CB 4.16Å; L344-A380 HydrophobicContact CD1-CB 4.3Å; L344-M383 HydrophobicContact CB-CB 4.44Å; L344-M383 HydrophobicContact CB-CG 3.99Å; L344-M383 HydrophobicContact CD1-CB 4.4Å; L344-M383 HydrophobicContact CD1-CG 4.07Å; L344-M383 HydrophobicContact CD2-CB 4.42Å; L344-M383 HydrophobicContact CG-CG 4.48Å |
| 345 | T | 92.8 | Very high | 90.7 | Very high | 18 Ų | 18 | 51.2 Ų | 51.2 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.3 | -39.4 | -179.8 | 50.8 | 0 | 0 | 0 | 0 | 111.7 | W144 F341 L342 L343 W348 M349 | W144-T345 HydrophobicContact CE3-CG2 4.01Å; W144-T345 HydrophobicContact CH2-CG2 3.96Å; W144-T345 HydrophobicContact CZ3-CG2 3.56Å; F341-T345 HydrophobicContact CE1-CG2 4.01Å; F341-T345 HydrophobicContact CE2-CG2 4.03Å; F341-T345 HydrophobicContact CZ-CG2 3.73Å; F341-T345 WeakPolarHBondContact O-CG2 3.34Å; F341-T345 PolarHBondContact O-N 3.37Å; F341-T345 PolarHBondContact O-OG1 3.46Å; L342-T345 WeakPolarHBondContact CA-OG1 3.43Å; L342-T345 PolarHBondContact O-OG1 3.5Å; L343-T345 PolarHBondContact O-N 3.01Å; T345-W348 HydrophobicContact CG2-CE3 4.46Å; T345-W348 HydrophobicContact CG2-CZ3 4.49Å; T345-W348 PolarHBondContact O-N 2.99Å; T345-M349 VanDerWaalsContact O-CG 3.26Å; T345-M349 WeakPolarHBondContact O-CG 3.28Å; T345-M349 PolarHBondContact O-N 3.45Å; T345-M349 VanDerWaalsContact O-N 3.09Å |
| 346 | T | 92.9 | Very high | 90 | Very high | 77 Ų | 77 | 50.9 Ų | 50.9 | 47% | 0.472 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 174.2 | -57.6 | 0 | 0 | 0 | 0 | 111.6 | L342 L343 L344 M349 T350 | L342-T346 VanDerWaalsContact O-CB 3.28Å; L342-T346 WeakPolarHBondContact O-CB 3.31Å; L342-T346 PolarHBondContact O-N 3.07Å; L342-T346 PolarHBondContact O-OG1 2.89Å; L343-T346 PolarHBondContact O-N 3.26Å; L344-T346 VanDerWaalsContact C-N 3.32Å; L344-T346 PolarHBondContact O-N 2.77Å; T346-M349 PolarHBondContact O-N 2.88Å; T346-T350 HydrophobicContact CG2-CG2 4.26Å; T346-T350 WeakPolarHBondContact O-CB 3.48Å; T346-T350 WeakPolarHBondContact O-CG2 3.35Å; T346-T350 PolarHBondContact O-N 3.35Å; T346-T350 PolarHBondContact O-OG1 3.19Å |
| 347 | L | 93.9 | Very high | 89.4 | Confident | 39 Ų | 39 | 49.6 Ų | 49.6 | 20% | 0.204 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 178.1 | -74.2 | 170 | 0 | 0 | 0 | 111.8 | L343 L344 T350 R351 W358 P379 M383 | L343-L347 HydrophobicContact CD1-CD1 4.17Å; L343-L347 HydrophobicContact CD1-CG 4.21Å; L343-L347 HydrophobicContact CG-CD1 4.01Å; L343-L347 HydrophobicContact CG-CG 4.47Å; L343-L347 WeakPolarHBondContact O-CB 3.24Å; L343-L347 VanDerWaalsContact O-CG 3.28Å; L343-L347 WeakPolarHBondContact O-CG 3.46Å; L343-L347 PolarHBondContact O-N 3.36Å; L344-L347 PolarHBondContact O-N 2.93Å; L347-T350 PolarHBondContact O-N 3.37Å; L347-R351 PolarHBondContact O-N 2.83Å; L347-R351 VanDerWaalsContact O-N 3.11Å; L347-W358 HydrophobicContact CB-CZ2 4.26Å; L347-W358 HydrophobicContact CD2-CZ2 4.21Å; L347-W358 PolarHBondContact O-NE1 2.93Å; L347-P379 HydrophobicContact CB-CB 3.97Å; L347-P379 HydrophobicContact CB-CG 4.44Å; L347-P379 HydrophobicContact CD1-CB 3.88Å; L347-M383 HydrophobicContact CD1-CE 3.95Å |
| 348 | W | 92.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.5 | -46.4 | 174.2 | -73.7 | -33.7 | 0 | 0 | 0 | 112.5 | L95 I247 F271 L344 T345 T350 D376 A380 | L95-W348 VanDerWaalsContact CD1-CE2 3.48Å; L95-W348 HydrophobicContact CD1-CH2 4.42Å; L95-W348 HydrophobicContact CD1-CZ2 3.4Å; I247-W348 HydrophobicContact CD1-CH2 3.71Å; I247-W348 HydrophobicContact CD1-CZ3 3.88Å; F271-W348 HydrophobicContact CB-CB 4.2Å; F271-W348 HydrophobicContact CB-CG 4.38Å; F271-W348 HydrophobicContact CD1-CB 3.57Å; F271-W348 HydrophobicContact CD1-CD2 4.34Å; F271-W348 HydrophobicContact CD1-CE3 4.23Å; F271-W348 HydrophobicContact CD1-CG 4.13Å; F271-W348 HydrophobicContact CD2-CD2 4.04Å; F271-W348 HydrophobicContact CD2-CE3 4.01Å; F271-W348 HydrophobicContact CD2-CG 4.34Å; F271-W348 HydrophobicContact CE1-CB 4.11Å; F271-W348 HydrophobicContact CE1-CD2 4.39Å; F271-W348 AromaticContact CE1-CE3 3.83Å; F271-W348 HydrophobicContact CE1-CE3 3.83Å; F271-W348 HydrophobicContact CE2-CD2 4.09Å; F271-W348 AromaticContact CE2-CE3 3.58Å; F271-W348 HydrophobicContact CE2-CE3 3.58Å; F271-W348 HydrophobicContact CE2-CH2 4.49Å; F271-W348 AromaticContact CE2-CZ3 3.81Å; F271-W348 HydrophobicContact CE2-CZ3 3.81Å; F271-W348 HydrophobicContact CG-CB 3.87Å; F271-W348 HydrophobicContact CG-CD2 4.17Å; F271-W348 HydrophobicContact CG-CE3 4.32Å; F271-W348 HydrophobicContact CG-CG 4.01Å; F271-W348 HydrophobicContact CZ-CD2 4.28Å; F271-W348 AromaticContact CZ-CE3 3.49Å; F271-W348 HydrophobicContact CZ-CE3 3.49Å; F271-W348 VanDerWaalsContact CZ-CE3 3.49Å; F271-W348 AromaticContact CZ-CZ3 3.9Å; F271-W348 HydrophobicContact CZ-CZ3 3.9Å; L344-W348 HydrophobicContact CD1-CD2 4.1Å; L344-W348 HydrophobicContact CD1-CH2 4.08Å; L344-W348 HydrophobicContact CD1-CZ2 3.63Å; L344-W348 HydrophobicContact CD2-CH2 3.56Å; L344-W348 HydrophobicContact CD2-CZ2 3.89Å; L344-W348 HydrophobicContact CD2-CZ3 4.07Å; L344-W348 HydrophobicContact CG-CD2 4.21Å; L344-W348 HydrophobicContact CG-CE3 4.13Å; L344-W348 HydrophobicContact CG-CH2 3.71Å; L344-W348 HydrophobicContact CG-CZ2 3.81Å; L344-W348 HydrophobicContact CG-CZ3 3.88Å; L344-W348 PolarHBondContact O-N 3.35Å; T345-W348 HydrophobicContact CG2-CE3 4.46Å; T345-W348 HydrophobicContact CG2-CZ3 4.49Å; T345-W348 PolarHBondContact O-N 2.99Å; W348-T350 VanDerWaalsContact C-N 3.34Å; W348-T350 PolarHBondContact O-N 2.85Å; W348-D376 PolarHBondContact NE1-O 3.45Å; W348-A380 HydrophobicContact CZ2-CB 3.69Å |
| 349 | M | 88.6 | Confident | 88.6 | Confident | 78 Ų | 78 | 51.6 Ų | 51.6 | 38% | 0.384 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.5 | -35.5 | -177.6 | -69.3 | -61.8 | -131 | 0 | 0 | 113 | M275 T345 T346 | M275-M349 HydrophobicContact CB-CE 4.48Å; M275-M349 HydrophobicContact CE-CE 3.53Å; M275-M349 HydrophobicContact CG-CE 3.96Å; M275-M349 HydrophobicContact SD-CE 3.2Å; M275-M349 WeakPolarHBondContact SD-CE 3.41Å; M275-M349 HydrophobicContact SD-SD 4Å; T345-M349 VanDerWaalsContact O-CG 3.26Å; T345-M349 WeakPolarHBondContact O-CG 3.28Å; T345-M349 PolarHBondContact O-N 3.45Å; T345-M349 VanDerWaalsContact O-N 3.09Å; T346-M349 PolarHBondContact O-N 2.88Å |
| 350 | T | 89.2 | Confident | 87.9 | Confident | 49 Ų | 49 | 54.8 Ų | 54.8 | 30% | 0.301 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -95 | -1.9 | -174.1 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | T346 L347 W348 G357 W358 | T346-T350 HydrophobicContact CG2-CG2 4.26Å; T346-T350 WeakPolarHBondContact O-CB 3.48Å; T346-T350 WeakPolarHBondContact O-CG2 3.35Å; T346-T350 PolarHBondContact O-N 3.35Å; T346-T350 PolarHBondContact O-OG1 3.19Å; L347-T350 PolarHBondContact O-N 3.37Å; W348-T350 VanDerWaalsContact C-N 3.34Å; W348-T350 PolarHBondContact O-N 2.85Å; T350-G357 VanDerWaalsContact O-CA 3.26Å; T350-G357 WeakPolarHBondContact O-CA 3.42Å; T350-W358 PolarHBondContact O-N 3.47Å; T350-W358 PolarHBondContact OG1-NE1 3.32Å |
| 351 | R | 88.4 | Confident | 87.4 | Confident | 24 Ų | 24 | 61 Ų | 61 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -51.1 | -177.7 | -173.6 | 179.2 | 65 | 101.7 | -4.5 | 112.4 | L347 G357 W358 G359 I374 D376 | L347-R351 PolarHBondContact O-N 2.83Å; L347-R351 VanDerWaalsContact O-N 3.11Å; R351-G357 CarbonylContact O-C 3.54Å; R351-G357 VanDerWaalsContact O-CA 3.25Å; R351-G357 WeakPolarHBondContact O-CA 3.18Å; R351-W358 VanDerWaalsContact CA-NE1 3.26Å; R351-W358 HydrophobicContact CB-CZ2 3.79Å; R351-W358 HydrophobicContact CG-CH2 4.18Å; R351-W358 HydrophobicContact CG-CZ2 3.77Å; R351-W358 PolarHBondContact O-N 2.92Å; R351-G359 PolarHBondContact O-N 3.16Å; R351-I374 PolarHBondContact NH1-O 2.99Å; R351-D376 IonicContact CZ-OD1 3.32Å; R351-D376 VanDerWaalsContact CZ-OD1 3.32Å; R351-D376 IonicContact CZ-OD2 3.9Å; R351-D376 IonicContact NE-OD1 2.69Å; R351-D376 PolarHBondContact NE-OD1 2.89Å; R351-D376 VanDerWaalsContact NH2-CG 3.26Å; R351-D376 IonicContact NH2-OD1 3.13Å; R351-D376 PolarHBondContact NH2-OD1 3.44Å; R351-D376 VanDerWaalsContact NH2-OD1 3.13Å; R351-D376 IonicContact NH2-OD2 3Å; R351-D376 PolarHBondContact NH2-OD2 2.88Å |
| 352 | N | 81.5 | Confident | 86.9 | Confident | 83 Ų | 83 | 65.6 Ų | 65.6 | 44% | 0.444 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.3 | 39.3 | -174.6 | -73.7 | -19.9 | 0 | 0 | 0 | 112.6 | G354 | N352-G354 PolarHBondContact O-N 3.06Š|
| 353 | I | 79.2 | Confident | 86.3 | Confident | 103 Ų | 103 | 62.5 Ų | 62.5 | 53% | 0.528 | 36% | 0.355 | S | S | . | . | trans | -79.7 | 101.9 | 177.8 | -165.5 | 167.1 | 0 | 0 | 0 | 111.2 | S355 S356 G357 | I353-S355 PolarHBondContact O-N 3.38Å; I353-S356 PolarHBondContact O-N 3.11Å; I353-S356 VanDerWaalsContact O-N 3.13Å; I353-G357 PolarHBondContact O-N 3.39Å | ||
| 354 | G | 72.7 | Confident | 85.6 | Confident | 67 Ų | 67 | 62.2 Ų | 62.2 | 69% | 0.691 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | -133.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | N352 S356 | N352-G354 PolarHBondContact O-N 3.06Å; G354-S356 VanDerWaalsContact C-N 3.34Å |
| 355 | S | 71 | Confident | 84.9 | Confident | 92 Ų | 92 | 68.3 Ų | 68.3 | 64% | 0.643 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -15.9 | 178.3 | 54.3 | 0 | 0 | 0 | 0 | 114.3 | I353 K360 | I353-S355 PolarHBondContact O-N 3.38Å; S355-K360 WeakPolarHBondContact O-CD 3.19Å; S355-K360 WeakPolarHBondContact O-CE 3.22Å; S355-K360 PolarHBondContact O-NZ 3.33Å |
| 356 | S | 80 | Confident | 84.4 | Confident | 101 Ų | 101 | 72.1 Ų | 72.1 | 71% | 0.706 | 42% | 0.42 | S | S | * | . | trans | -117.4 | 16.2 | -162.9 | -52 | 0 | 0 | 0 | 0 | 114.7 | I353 G354 | I353-S356 PolarHBondContact O-N 3.11Å; I353-S356 VanDerWaalsContact O-N 3.13Å; G354-S356 VanDerWaalsContact C-N 3.34Å | ||
| 357 | G | 85.8 | Confident | 83.9 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 4% | 0.041 | 41% | 0.411 | C | S | . | . | trans | -63.2 | 140.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | T350 R351 I353 G359 K360 | T350-G357 VanDerWaalsContact O-CA 3.26Å; T350-G357 WeakPolarHBondContact O-CA 3.42Å; R351-G357 CarbonylContact O-C 3.54Å; R351-G357 VanDerWaalsContact O-CA 3.25Å; R351-G357 WeakPolarHBondContact O-CA 3.18Å; I353-G357 PolarHBondContact O-N 3.39Å; G357-G359 PolarHBondContact O-N 3.43Å; G357-K360 WeakPolarHBondContact O-CB 3.29Å; G357-K360 PolarHBondContact O-N 3.18Å; G357-K360 VanDerWaalsContact O-N 3.15Å | ||
| 358 | W | 89.5 | Confident | 82.9 | Confident | 50 Ų | 50 | 73.5 Ų | 73.5 | 19% | 0.189 | 43% | 0.43 | C | S | . | . | G | 310 helix | trans | -65.6 | -19.5 | -176.2 | 65.6 | -100.5 | 0 | 0 | 0 | 113.3 | L347 T350 R351 K360 L361 F362 I374 P379 | L347-W358 HydrophobicContact CB-CZ2 4.26Å; L347-W358 HydrophobicContact CD2-CZ2 4.21Å; L347-W358 PolarHBondContact O-NE1 2.93Å; T350-W358 PolarHBondContact O-N 3.47Å; T350-W358 PolarHBondContact OG1-NE1 3.32Å; R351-W358 VanDerWaalsContact CA-NE1 3.26Å; R351-W358 HydrophobicContact CB-CZ2 3.79Å; R351-W358 HydrophobicContact CG-CH2 4.18Å; R351-W358 HydrophobicContact CG-CZ2 3.77Å; R351-W358 PolarHBondContact O-N 2.92Å; W358-K360 PolarHBondContact O-N 3.06Å; W358-K360 VanDerWaalsContact O-N 3.11Å; W358-L361 HydrophobicContact CB-CD1 4.27Å; W358-L361 WeakPolarHBondContact O-CB 3.41Å; W358-L361 WeakPolarHBondContact O-CG 3.42Å; W358-L361 PolarHBondContact O-N 3.26Å; W358-F362 HydrophobicContact CE3-CD2 4.35Å; W358-F362 AromaticContact CE3-CE2 3.9Å; W358-F362 HydrophobicContact CE3-CE2 3.9Å; W358-F362 HydrophobicContact CZ3-CD2 4.42Å; W358-F362 AromaticContact CZ3-CE2 3.99Å; W358-F362 HydrophobicContact CZ3-CE2 3.99Å; W358-I374 HydrophobicContact CH2-CG2 3.7Å; W358-I374 HydrophobicContact CZ3-CG2 3.71Å; W358-P379 HydrophobicContact CZ2-CG 4.43Å |
| 359 | G | 85 | Confident | 82.1 | Confident | 10 Ų | 10 | 76.8 Ų | 76.8 | 10% | 0.103 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -57.7 | -25.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R351 G357 L361 F362 | R351-G359 PolarHBondContact O-N 3.16Å; G357-G359 PolarHBondContact O-N 3.43Å; G359-L361 VanDerWaalsContact C-N 3.29Å; G359-L361 PolarHBondContact O-N 3.46Å; G359-F362 PolarHBondContact O-N 3.36Å |
| 360 | K | 82.4 | Confident | 81.7 | Confident | 117 Ų | 117 | 73.7 Ų | 73.7 | 51% | 0.509 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -70.1 | -20.2 | 177.3 | -65.4 | -171.3 | -178.9 | -177.4 | 0 | 114.5 | S355 G357 W358 F362 V363 | S355-K360 WeakPolarHBondContact O-CD 3.19Å; S355-K360 WeakPolarHBondContact O-CE 3.22Å; S355-K360 PolarHBondContact O-NZ 3.33Å; G357-K360 WeakPolarHBondContact O-CB 3.29Å; G357-K360 PolarHBondContact O-N 3.18Å; G357-K360 VanDerWaalsContact O-N 3.15Å; W358-K360 PolarHBondContact O-N 3.06Å; W358-K360 VanDerWaalsContact O-N 3.11Å; K360-F362 PolarHBondContact O-N 2.82Å; K360-F362 VanDerWaalsContact O-N 3.16Å; K360-V363 WeakPolarHBondContact O-CB 3.4Å; K360-V363 PolarHBondContact O-N 2.94Å; K360-V363 VanDerWaalsContact O-N 3.14Å |
| 361 | L | 85.6 | Confident | 81 | Confident | 146 Ų | 146 | 74.3 Ų | 74.3 | 76% | 0.764 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -62.9 | -20.1 | 177.7 | -66.2 | 172.6 | 0 | 0 | 0 | 112.7 | W358 G359 | W358-L361 HydrophobicContact CB-CD1 4.27Å; W358-L361 WeakPolarHBondContact O-CB 3.41Å; W358-L361 WeakPolarHBondContact O-CG 3.42Å; W358-L361 PolarHBondContact O-N 3.26Å; G359-L361 VanDerWaalsContact C-N 3.29Å; G359-L361 PolarHBondContact O-N 3.46Å |
| 362 | F | 86.2 | Confident | 80.5 | Confident | 122 Ų | 122 | 78.9 Ų | 78.9 | 54% | 0.535 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -106.7 | 10.9 | -178.2 | -58.4 | -89.2 | 0 | 0 | 0 | 112.5 | W358 G359 K360 D364 I374 | W358-F362 HydrophobicContact CE3-CD2 4.35Å; W358-F362 AromaticContact CE3-CE2 3.9Å; W358-F362 HydrophobicContact CE3-CE2 3.9Å; W358-F362 HydrophobicContact CZ3-CD2 4.42Å; W358-F362 AromaticContact CZ3-CE2 3.99Å; W358-F362 HydrophobicContact CZ3-CE2 3.99Å; G359-F362 PolarHBondContact O-N 3.36Å; K360-F362 PolarHBondContact O-N 2.82Å; K360-F362 VanDerWaalsContact O-N 3.16Å; F362-D364 PolarHBondContact O-N 2.87Å; F362-I374 HydrophobicContact CB-CD1 3.34Å; F362-I374 HydrophobicContact CB-CG1 4.32Å; F362-I374 HydrophobicContact CD1-CD1 3.73Å; F362-I374 HydrophobicContact CD2-CD1 3.2Å; F362-I374 HydrophobicContact CE1-CD1 4.28Å; F362-I374 HydrophobicContact CE2-CD1 3.83Å; F362-I374 HydrophobicContact CG-CD1 3.13Å; F362-I374 HydrophobicContact CG-CG1 4.48Å; F362-I374 HydrophobicContact CZ-CD1 4.32Å |
| 363 | V | 82.8 | Confident | 80.7 | Confident | 48 Ų | 48 | 82.6 Ų | 82.6 | 29% | 0.291 | 47% | 0.472 | S | S | . | . | trans | -82.3 | 115.9 | 173.8 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | K360 P365 T370 | K360-V363 WeakPolarHBondContact O-CB 3.4Å; K360-V363 PolarHBondContact O-N 2.94Å; K360-V363 VanDerWaalsContact O-N 3.14Å; V363-P365 WeakPolarHBondContact O-CD 3.45Å; V363-T370 WeakPolarHBondContact CA-OG1 3.32Å | ||
| 364 | D | 82.1 | Confident | 81.1 | Confident | 75 Ų | 75 | 78.9 Ų | 78.9 | 40% | 0.401 | 45% | 0.453 | S | S | . | . | B | Isolated β-bridge | trans | -69.6 | 125.7 | 170.3 | -166.7 | -34.4 | 0 | 0 | 0 | 109.2 | F362 S366 D367 T370 | F362-D364 PolarHBondContact O-N 2.87Å; D364-S366 PolarHBondContact O-N 3.46Å; D364-S366 VanDerWaalsContact O-N 3.16Å; D364-S366 WeakPolarHBondContact OD1-CB 3.36Å; D364-S366 PolarHBondContact OD1-N 2.92Å; D364-S366 PolarHBondContact OD1-OG 3.22Å; D364-S366 PolarHBondContact OD2-OG 3.05Å; D364-D367 CarbonylContact O-C 3.52Å; D364-D367 PolarHBondContact O-N 2.92Å; D364-T370 HydrophobicContact CB-CG2 3.8Å; D364-T370 PolarHBondContact N-OG1 3.07Å |
| 365 | P | 80.1 | Confident | 81.9 | Confident | 129 Ų | 129 | 76.7 Ų | 76.7 | 84% | 0.838 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.6 | 174 | -24.7 | 34.3 | 0 | 0 | 0 | 113.9 | V363 | V363-P365 WeakPolarHBondContact O-CD 3.45Š|
| 366 | S | 84 | Confident | 82.8 | Confident | 98 Ų | 98 | 72.5 Ų | 72.5 | 69% | 0.685 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -25.5 | -179.5 | 67.2 | 0 | 0 | 0 | 0 | 113.7 | D364 | D364-S366 PolarHBondContact O-N 3.46Å; D364-S366 VanDerWaalsContact O-N 3.16Å; D364-S366 WeakPolarHBondContact OD1-CB 3.36Å; D364-S366 PolarHBondContact OD1-N 2.92Å; D364-S366 PolarHBondContact OD1-OG 3.22Å; D364-S366 PolarHBondContact OD2-OG 3.05Å |
| 367 | D | 80.6 | Confident | 83.5 | Confident | 51 Ų | 51 | 68.2 Ų | 68.2 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | B | Isolated β-bridge | trans | -134.5 | 97.4 | 179.3 | 179.1 | 9.4 | 0 | 0 | 0 | 110.9 | D364 T369 T370 | D364-D367 CarbonylContact O-C 3.52Å; D364-D367 PolarHBondContact O-N 2.92Å; D367-T369 PolarHBondContact O-N 3.33Å; D367-T369 VanDerWaalsContact OD1-CB 3.26Å; D367-T369 WeakPolarHBondContact OD1-CB 3.18Å; D367-T369 WeakPolarHBondContact OD1-CG2 3.12Å; D367-T369 PolarHBondContact OD1-N 3.27Å; D367-T369 PolarHBondContact OD1-OG1 2.92Å; D367-T369 PolarHBondContact OD2-OG1 3.4Å; D367-T370 HydrophobicContact CB-CG2 3.94Å; D367-T370 WeakPolarHBondContact O-CB 3.45Å; D367-T370 WeakPolarHBondContact O-CG2 3.43Å; D367-T370 PolarHBondContact O-N 3.14Å; D367-T370 VanDerWaalsContact O-N 3.12Å; D367-T370 PolarHBondContact O-OG1 3.16Å |
| 368 | P | 74.8 | Confident | 83.9 | Confident | 94 Ų | 94 | 71.1 Ų | 71.1 | 61% | 0.61 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -59.3 | -18 | 177.4 | -22.4 | 32.4 | 0 | 0 | 0 | 114 | T370 S371 | P368-T370 VanDerWaalsContact C-N 3.27Å; P368-T370 PolarHBondContact O-N 3.32Å; P368-S371 WeakPolarHBondContact O-CB 3.44Å; P368-S371 PolarHBondContact O-N 3.34Å; P368-S371 PolarHBondContact O-OG 3.05Å |
| 369 | T | 75.8 | Confident | 84.2 | Confident | 71 Ų | 71 | 69 Ų | 69 | 44% | 0.436 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -74.4 | -18.9 | -179.8 | 76.3 | 0 | 0 | 0 | 0 | 113 | D367 S371 K372 | D367-T369 PolarHBondContact O-N 3.33Å; D367-T369 VanDerWaalsContact OD1-CB 3.26Å; D367-T369 WeakPolarHBondContact OD1-CB 3.18Å; D367-T369 WeakPolarHBondContact OD1-CG2 3.12Å; D367-T369 PolarHBondContact OD1-N 3.27Å; D367-T369 PolarHBondContact OD1-OG1 2.92Å; D367-T369 PolarHBondContact OD2-OG1 3.4Å; T369-S371 PolarHBondContact O-N 3.26Å; T369-S371 VanDerWaalsContact O-N 3.1Å; T369-K372 WeakPolarHBondContact O-CB 3.38Å; T369-K372 PolarHBondContact O-N 2.93Å |
| 370 | T | 79.7 | Confident | 84.7 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 9% | 0.086 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -57.4 | -24 | 172.7 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | V363 D364 D367 P368 K372 Y373 | V363-T370 WeakPolarHBondContact CA-OG1 3.32Å; D364-T370 HydrophobicContact CB-CG2 3.8Å; D364-T370 PolarHBondContact N-OG1 3.07Å; D367-T370 HydrophobicContact CB-CG2 3.94Å; D367-T370 WeakPolarHBondContact O-CB 3.45Å; D367-T370 WeakPolarHBondContact O-CG2 3.43Å; D367-T370 PolarHBondContact O-N 3.14Å; D367-T370 VanDerWaalsContact O-N 3.12Å; D367-T370 PolarHBondContact O-OG1 3.16Å; P368-T370 VanDerWaalsContact C-N 3.27Å; P368-T370 PolarHBondContact O-N 3.32Å; T370-K372 PolarHBondContact O-N 2.97Å; T370-Y373 HydrophobicContact CG2-CD2 4.16Å; T370-Y373 HydrophobicContact CG2-CE2 3.79Å; T370-Y373 WeakPolarHBondContact O-CB 3.3Å; T370-Y373 PolarHBondContact O-N 3.33Å |
| 371 | S | 74.5 | Confident | 85.4 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 43% | 0.427 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -54.5 | -24.1 | 170.4 | 62.4 | 0 | 0 | 0 | 0 | 114.2 | P368 T369 | P368-S371 WeakPolarHBondContact O-CB 3.44Å; P368-S371 PolarHBondContact O-N 3.34Å; P368-S371 PolarHBondContact O-OG 3.05Å; T369-S371 PolarHBondContact O-N 3.26Å; T369-S371 VanDerWaalsContact O-N 3.1Å |
| 372 | K | 76.6 | Confident | 86 | Confident | 120 Ų | 120 | 62.5 Ų | 62.5 | 52% | 0.522 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -89.9 | -10.3 | 179.4 | -58.9 | -178.6 | -178.2 | 176.4 | 0 | 113.6 | T369 T370 I374 | T369-K372 WeakPolarHBondContact O-CB 3.38Å; T369-K372 PolarHBondContact O-N 2.93Å; T370-K372 PolarHBondContact O-N 2.97Å; K372-I374 VanDerWaalsContact C-N 3.3Å; K372-I374 PolarHBondContact O-N 2.89Å |
| 373 | Y | 85.8 | Confident | 86.5 | Confident | 161 Ų | 161 | 57.1 Ų | 57.1 | 63% | 0.631 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -28.7 | -176.6 | -67.8 | -4.8 | 0 | 0 | 0 | 112.6 | T370 | T370-Y373 HydrophobicContact CG2-CD2 4.16Å; T370-Y373 HydrophobicContact CG2-CE2 3.79Å; T370-Y373 WeakPolarHBondContact O-CB 3.3Å; T370-Y373 PolarHBondContact O-N 3.33Å |
| 374 | I | 88.6 | Confident | 87.2 | Confident | 26 Ų | 26 | 55 Ų | 55 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | trans | -102.3 | 115 | 179.3 | -59.8 | -173.6 | 0 | 0 | 0 | 110.6 | R351 W358 F362 K372 | R351-I374 PolarHBondContact NH1-O 2.99Å; W358-I374 HydrophobicContact CH2-CG2 3.7Å; W358-I374 HydrophobicContact CZ3-CG2 3.71Å; F362-I374 HydrophobicContact CB-CD1 3.34Å; F362-I374 HydrophobicContact CB-CG1 4.32Å; F362-I374 HydrophobicContact CD1-CD1 3.73Å; F362-I374 HydrophobicContact CD2-CD1 3.2Å; F362-I374 HydrophobicContact CE1-CD1 4.28Å; F362-I374 HydrophobicContact CE2-CD1 3.83Å; F362-I374 HydrophobicContact CG-CD1 3.13Å; F362-I374 HydrophobicContact CG-CG1 4.48Å; F362-I374 HydrophobicContact CZ-CD1 4.32Å; K372-I374 VanDerWaalsContact C-N 3.3Å; K372-I374 PolarHBondContact O-N 2.89Å | ||
| 375 | T | 89.9 | Confident | 87.9 | Confident | 20 Ų | 20 | 55.3 Ų | 55.3 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | trans | -112.4 | 180 | -179.9 | 64.6 | 0 | 0 | 0 | 0 | 110.7 | D91 S377 T378 P379 | D91-T375 WeakPolarHBondContact OD1-CB 3.11Å; D91-T375 PolarHBondContact OD1-OG1 2.81Å; D91-T375 WeakPolarHBondContact OD2-CB 3.27Å; D91-T375 PolarHBondContact OD2-OG1 3Å; T375-S377 PolarHBondContact O-N 3.4Å; T375-S377 PolarHBondContact OG1-N 3.02Å; T375-S377 PolarHBondContact OG1-OG 2.99Å; T375-T378 PolarHBondContact O-N 3.48Å; T375-P379 WeakPolarHBondContact O-CD 3.17Å | ||
| 376 | D | 89.9 | Confident | 88.8 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -21 | 175.5 | -63.7 | -43.2 | 0 | 0 | 0 | 111.6 | L95 F271 W348 R351 P379 | L95-D376 HydrophobicContact CD1-CB 3.85Å; L95-D376 WeakPolarHBondContact CD1-O 3.49Å; L95-D376 HydrophobicContact CD2-CB 3.89Å; L95-D376 HydrophobicContact CG-CB 4.4Å; F271-D376 HydrophobicContact CB-CB 4.4Å; F271-D376 PolarHBondContact N-OD2 3.43Å; W348-D376 PolarHBondContact NE1-O 3.45Å; R351-D376 IonicContact CZ-OD1 3.32Å; R351-D376 VanDerWaalsContact CZ-OD1 3.32Å; R351-D376 IonicContact CZ-OD2 3.9Å; R351-D376 IonicContact NE-OD1 2.69Å; R351-D376 PolarHBondContact NE-OD1 2.89Å; R351-D376 VanDerWaalsContact NH2-CG 3.26Å; R351-D376 IonicContact NH2-OD1 3.13Å; R351-D376 PolarHBondContact NH2-OD1 3.44Å; R351-D376 VanDerWaalsContact NH2-OD1 3.13Å; R351-D376 IonicContact NH2-OD2 3Å; R351-D376 PolarHBondContact NH2-OD2 2.88Å; D376-P379 WeakPolarHBondContact O-CD 3.49Å; D376-P379 WeakPolarHBondContact O-CG 3.29Å |
| 377 | S | 93.9 | Very high | 89.4 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.1 | -31.9 | 179.7 | 79 | 0 | 0 | 0 | 0 | 113 | D91 T375 A380 I381 | D91-S377 WeakPolarHBondContact O-CB 3.45Å; D91-S377 VanDerWaalsContact OD1-CB 3.26Å; D91-S377 WeakPolarHBondContact OD1-CB 3.35Å; D91-S377 PolarHBondContact OD1-OG 3.34Å; T375-S377 PolarHBondContact O-N 3.4Å; T375-S377 PolarHBondContact OG1-N 3.02Å; T375-S377 PolarHBondContact OG1-OG 2.99Å; S377-A380 WeakPolarHBondContact O-CB 3.47Å; S377-A380 PolarHBondContact O-N 3.46Å; S377-A380 VanDerWaalsContact O-N 3.13Å; S377-I381 WeakPolarHBondContact O-CG1 3.43Å; S377-I381 PolarHBondContact O-N 2.67Å |
| 378 | T | 94.5 | Very high | 90.2 | Very high | 64 Ų | 64 | 47.5 Ų | 47.5 | 39% | 0.393 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.1 | -55.9 | -177.6 | -45.9 | 0 | 0 | 0 | 0 | 113.1 | T375 A380 I381 L382 | T375-T378 PolarHBondContact O-N 3.48Å; T378-A380 VanDerWaalsContact C-N 3.26Å; T378-A380 PolarHBondContact O-N 3.39Å; T378-I381 PolarHBondContact O-N 3.26Å; T378-L382 WeakPolarHBondContact O-CB 3.44Å; T378-L382 PolarHBondContact O-N 3.16Å |
| 379 | P | 95.6 | Very high | 91.2 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.032 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.5 | -31.5 | 175.9 | 26.9 | -35.5 | 0 | 0 | 0 | 112.2 | L344 L347 W358 T375 D376 L382 M383 | L344-P379 HydrophobicContact CD1-CB 4.16Å; L347-P379 HydrophobicContact CB-CB 3.97Å; L347-P379 HydrophobicContact CB-CG 4.44Å; L347-P379 HydrophobicContact CD1-CB 3.88Å; W358-P379 HydrophobicContact CZ2-CG 4.43Å; T375-P379 WeakPolarHBondContact O-CD 3.17Å; D376-P379 WeakPolarHBondContact O-CD 3.49Å; D376-P379 WeakPolarHBondContact O-CG 3.29Å; P379-L382 PolarHBondContact O-N 3.47Å; P379-M383 WeakPolarHBondContact O-CB 3.33Å; P379-M383 WeakPolarHBondContact O-CG 3.44Å; P379-M383 PolarHBondContact O-N 3.47Å |
| 380 | A | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.9 | -49.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L95 L344 W348 S377 T378 M383 A384 | L95-A380 HydrophobicContact CD1-CB 4.14Å; L344-A380 HydrophobicContact CD1-CB 4.3Å; W348-A380 HydrophobicContact CZ2-CB 3.69Å; S377-A380 WeakPolarHBondContact O-CB 3.47Å; S377-A380 PolarHBondContact O-N 3.46Å; S377-A380 VanDerWaalsContact O-N 3.13Å; T378-A380 VanDerWaalsContact C-N 3.26Å; T378-A380 PolarHBondContact O-N 3.39Å; A380-M383 PolarHBondContact O-N 3.37Å; A380-A384 WeakPolarHBondContact O-CB 3.37Å; A380-A384 PolarHBondContact O-N 3.31Å |
| 381 | I | 97.2 | Very high | 92.9 | Very high | 50 Ų | 50 | 48 Ų | 48 | 26% | 0.256 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.3 | -40.4 | 177.4 | -62.9 | -60.3 | 0 | 0 | 0 | 110.8 | M94 F97 S377 T378 M383 A384 I385 | M94-I381 WeakPolarHBondContact O-CD1 3.43Å; F97-I381 HydrophobicContact CD1-CD1 3.7Å; F97-I381 HydrophobicContact CE1-CD1 4.38Å; S377-I381 WeakPolarHBondContact O-CG1 3.43Å; S377-I381 PolarHBondContact O-N 2.67Å; T378-I381 PolarHBondContact O-N 3.26Å; I381-M383 PolarHBondContact O-N 3.47Å; I381-A384 WeakPolarHBondContact O-CB 3.4Å; I381-A384 PolarHBondContact O-N 2.7Å; I381-I385 HydrophobicContact CG2-CD1 3.78Å; I381-I385 HydrophobicContact CG2-CG1 4.34Å; I381-I385 VanDerWaalsContact O-CG1 3.29Å; I381-I385 WeakPolarHBondContact O-CG1 3.46Å; I381-I385 PolarHBondContact O-N 3.38Å |
| 382 | L | 97.4 | Very high | 93.8 | Very high | 87 Ų | 87 | 45.4 Ų | 45.4 | 46% | 0.455 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -58.2 | -48.1 | 175.8 | 178.6 | 62.2 | 0 | 0 | 0 | 111.6 | T378 P379 A384 I385 M386 | T378-L382 WeakPolarHBondContact O-CB 3.44Å; T378-L382 PolarHBondContact O-N 3.16Å; P379-L382 PolarHBondContact O-N 3.47Å; L382-A384 VanDerWaalsContact C-N 3.35Å; L382-A384 PolarHBondContact O-N 2.91Å; L382-I385 PolarHBondContact O-N 2.93Å; L382-M386 HydrophobicContact CD1-CE 4.17Å; L382-M386 HydrophobicContact CD1-CG 4.44Å; L382-M386 VanDerWaalsContact O-CG 3.3Å; L382-M386 WeakPolarHBondContact O-CG 3.49Å; L382-M386 PolarHBondContact O-N 2.88Å |
| 383 | M | 97.4 | Very high | 94.5 | Very high | 10 Ų | 10 | 40.4 Ų | 40.4 | 5% | 0.049 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -67.9 | -35.1 | 179.7 | -65.6 | -60.5 | 137.9 | 0 | 0 | 112.3 | M102 L340 L343 L344 L347 P379 A380 I381 M386 A387 | M102-M383 HydrophobicContact SD-CB 4.43Å; L340-M383 HydrophobicContact CD2-SD 3.89Å; L343-M383 HydrophobicContact CD2-CE 3.65Å; L343-M383 HydrophobicContact CD2-SD 3.92Å; L343-M383 HydrophobicContact CG-CE 4.11Å; L343-M383 HydrophobicContact CG-SD 4.34Å; L344-M383 HydrophobicContact CB-CB 4.44Å; L344-M383 HydrophobicContact CB-CG 3.99Å; L344-M383 HydrophobicContact CD1-CB 4.4Å; L344-M383 HydrophobicContact CD1-CG 4.07Å; L344-M383 HydrophobicContact CD2-CB 4.42Å; L344-M383 HydrophobicContact CG-CG 4.48Å; L347-M383 HydrophobicContact CD1-CE 3.95Å; P379-M383 WeakPolarHBondContact O-CB 3.33Å; P379-M383 WeakPolarHBondContact O-CG 3.44Å; P379-M383 PolarHBondContact O-N 3.47Å; A380-M383 PolarHBondContact O-N 3.37Å; I381-M383 PolarHBondContact O-N 3.47Å; M383-M386 PolarHBondContact O-N 3Å; M383-A387 WeakPolarHBondContact O-CB 3.48Å; M383-A387 PolarHBondContact O-N 3.19Å |
| 384 | A | 96.7 | Very high | 94.8 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.033 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.3 | -45.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | M101 A380 I381 L382 A387 M388 | M101-A384 HydrophobicContact CB-CB 3.72Å; M101-A384 HydrophobicContact CG-CB 3.81Å; A380-A384 WeakPolarHBondContact O-CB 3.37Å; A380-A384 PolarHBondContact O-N 3.31Å; I381-A384 WeakPolarHBondContact O-CB 3.4Å; I381-A384 PolarHBondContact O-N 2.7Å; L382-A384 VanDerWaalsContact C-N 3.35Å; L382-A384 PolarHBondContact O-N 2.91Å; A384-A387 PolarHBondContact O-N 3.16Å; A384-M388 WeakPolarHBondContact O-CG 3.47Å; A384-M388 PolarHBondContact O-N 3.33Å |
| 385 | I | 97.8 | Very high | 94.9 | Very high | 80 Ų | 80 | 38 Ų | 38 | 41% | 0.41 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.1 | -45.8 | 175.3 | -68.3 | 168 | 0 | 0 | 0 | 110.2 | I381 L382 A387 M388 I389 | I381-I385 HydrophobicContact CG2-CD1 3.78Å; I381-I385 HydrophobicContact CG2-CG1 4.34Å; I381-I385 VanDerWaalsContact O-CG1 3.29Å; I381-I385 WeakPolarHBondContact O-CG1 3.46Å; I381-I385 PolarHBondContact O-N 3.38Å; L382-I385 PolarHBondContact O-N 2.93Å; I385-A387 VanDerWaalsContact C-N 3.29Å; I385-A387 PolarHBondContact O-N 3.16Å; I385-M388 PolarHBondContact O-N 3.29Å; I385-I389 HydrophobicContact CG2-CD1 3.53Å; I385-I389 HydrophobicContact CG2-CG1 4.3Å; I385-I389 WeakPolarHBondContact O-CG1 3.33Å; I385-I389 PolarHBondContact O-N 2.72Å |
| 386 | M | 97.6 | Very high | 95 | Very high | 60 Ų | 60 | 41.1 Ų | 41.1 | 30% | 0.296 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.9 | -40.4 | 176.5 | -71.4 | -60.3 | 111.9 | 0 | 0 | 111.9 | L340 L382 M383 M388 I389 L390 | L340-M386 HydrophobicContact CD2-CB 4.42Å; L382-M386 HydrophobicContact CD1-CE 4.17Å; L382-M386 HydrophobicContact CD1-CG 4.44Å; L382-M386 VanDerWaalsContact O-CG 3.3Å; L382-M386 WeakPolarHBondContact O-CG 3.49Å; L382-M386 PolarHBondContact O-N 2.88Å; M383-M386 PolarHBondContact O-N 3Å; M386-M388 PolarHBondContact O-N 2.87Å; M386-I389 HydrophobicContact CE-CD1 4.24Å; M386-I389 PolarHBondContact O-N 3.34Å; M386-L390 HydrophobicContact CB-CD1 4.07Å; M386-L390 VanDerWaalsContact O-CB 3.29Å; M386-L390 WeakPolarHBondContact O-CB 3.38Å; M386-L390 VanDerWaalsContact O-CG 3.25Å; M386-L390 WeakPolarHBondContact O-CG 3.26Å; M386-L390 PolarHBondContact O-N 3.03Å |
| 387 | A | 97.1 | Very high | 95 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -28.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | M102 A105 M383 A384 I385 L420 L421 | M102-A387 HydrophobicContact SD-CB 4.43Å; A105-A387 HydrophobicContact CB-CB 4.03Å; M383-A387 WeakPolarHBondContact O-CB 3.48Å; M383-A387 PolarHBondContact O-N 3.19Å; A384-A387 PolarHBondContact O-N 3.16Å; I385-A387 VanDerWaalsContact C-N 3.29Å; I385-A387 PolarHBondContact O-N 3.16Å; A387-L420 WeakPolarHBondContact O-CB 3.46Å; A387-L420 PolarHBondContact O-N 3.23Å; A387-L421 HydrophobicContact CB-CB 4.31Å; A387-L421 PolarHBondContact O-N 2.9Å |
| 388 | M | 96.5 | Very high | 94.9 | Very high | 54 Ų | 54 | 47.6 Ų | 47.6 | 27% | 0.266 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -86.1 | -16.3 | 176.6 | -65.7 | -175.5 | -179.3 | 0 | 0 | 113.7 | M101 A384 I385 M386 V419 L421 W423 A426 | M101-M388 HydrophobicContact CE-CE 3.83Å; M101-M388 HydrophobicContact CG-CE 3.57Å; M101-M388 HydrophobicContact SD-CE 3.33Å; M101-M388 WeakPolarHBondContact SD-CE 3.29Å; A384-M388 WeakPolarHBondContact O-CG 3.47Å; A384-M388 PolarHBondContact O-N 3.33Å; I385-M388 PolarHBondContact O-N 3.29Å; M386-M388 PolarHBondContact O-N 2.87Å; M388-V419 WeakPolarHBondContact O-CG1 3.43Å; M388-L421 HydrophobicContact CE-CD2 3.99Å; M388-L421 HydrophobicContact CG-CB 4.47Å; M388-W423 HydrophobicContact CE-CE3 3.95Å; M388-W423 HydrophobicContact CE-CZ3 4.11Å; M388-W423 HydrophobicContact SD-CE3 4.13Å; M388-A426 HydrophobicContact CE-CB 4.08Å |
| 389 | I | 96 | Very high | 94.7 | Very high | 105 Ų | 105 | 51.9 Ų | 51.9 | 54% | 0.538 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -99.1 | -41.6 | 180 | -66.7 | 174.3 | 0 | 0 | 0 | 111.5 | I385 M386 | I385-I389 HydrophobicContact CG2-CD1 3.53Å; I385-I389 HydrophobicContact CG2-CG1 4.3Å; I385-I389 WeakPolarHBondContact O-CG1 3.33Å; I385-I389 PolarHBondContact O-N 2.72Å; M386-I389 HydrophobicContact CE-CD1 4.24Å; M386-I389 PolarHBondContact O-N 3.34Å |
| 390 | L | 96.3 | Very high | 94.6 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 27% | 0.272 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -73.2 | 136.1 | -170.9 | -68.9 | 170.8 | 0 | 0 | 0 | 111.7 | L336 L340 M386 V419 L420 | L336-L390 HydrophobicContact CD2-CB 4.21Å; L336-L390 HydrophobicContact CD2-CD1 4.46Å; L340-L390 HydrophobicContact CD1-CD1 4.04Å; L340-L390 HydrophobicContact CD2-CD1 4.2Å; M386-L390 HydrophobicContact CB-CD1 4.07Å; M386-L390 VanDerWaalsContact O-CB 3.29Å; M386-L390 WeakPolarHBondContact O-CB 3.38Å; M386-L390 VanDerWaalsContact O-CG 3.25Å; M386-L390 WeakPolarHBondContact O-CG 3.26Å; M386-L390 PolarHBondContact O-N 3.03Å; L390-V419 CarbonylContact O-C 3.34Å; L390-V419 VanDerWaalsContact O-CA 3.3Å; L390-V419 WeakPolarHBondContact O-CA 3.33Å; L390-L420 HydrophobicContact CB-CD1 3.77Å; L390-L420 HydrophobicContact CB-CG 4.49Å; L390-L420 HydrophobicContact CD1-CD1 4.48Å; L390-L420 PolarHBondContact O-N 3.48Å |
| 391 | P | 94.5 | Very high | 94.3 | Very high | 34 Ų | 34 | 59.7 Ų | 59.7 | 22% | 0.221 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -69.3 | 141.7 | -179.3 | 28.5 | -34.5 | 0 | 0 | 0 | 111.5 | S393 L398 | P391-S393 VanDerWaalsContact C-N 3.3Å; P391-L398 HydrophobicContact CB-CD2 3.8Å; P391-L398 HydrophobicContact CG-CD2 4.04Å |
| 392 | A | 93.8 | Very high | 94 | Very high | 6 Ų | 6 | 64 Ų | 64 | 5% | 0.05 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -76.4 | -19 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y332 C333 R418 L420 | Y332-A392 WeakPolarHBondContact CD1-O 3.4Å; C333-A392 HydrophobicContact CB-CB 3.87Å; C333-A392 VanDerWaalsContact CB-O 3.29Å; C333-A392 WeakPolarHBondContact CB-O 3.29Å; C333-A392 PolarHBondContact N-O 3.32Å; A392-R418 HydrophobicContact CB-CG 3.67Å; A392-R418 WeakPolarHBondContact CB-O 3.42Å; A392-R418 PolarHBondContact N-O 3.13Å; A392-L420 HydrophobicContact CB-CD2 4.45Å |
| 393 | S | 91.7 | Very high | 93.8 | Very high | 15 Ų | 15 | 66.3 Ų | 66.3 | 11% | 0.105 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -90.5 | 150.9 | 175.3 | -70.6 | 0 | 0 | 0 | 0 | 111.9 | Y332 P391 I416 | Y332-S393 VanDerWaalsContact CD1-C 3.43Å; Y332-S393 WeakPolarHBondContact CE1-O 3.47Å; P391-S393 VanDerWaalsContact C-N 3.3Å; S393-I416 WeakPolarHBondContact CB-O 3.45Å; S393-I416 WeakPolarHBondContact OG-CA 3.49Å; S393-I416 PolarHBondContact OG-O 3.37Å |
| 394 | N | 92.6 | Very high | 93.5 | Very high | 67 Ų | 67 | 71.1 Ų | 71.1 | 36% | 0.358 | 34% | 0.338 | S | S | . | . | trans | -55.5 | 132.6 | 173 | 178.7 | -45.8 | 0 | 0 | 0 | 110.2 | Y332 V396 K397 L398 | Y332-N394 HydrophobicContact CD2-CB 4.18Å; Y332-N394 HydrophobicContact CG-CB 4.08Å; N394-V396 PolarHBondContact O-N 3.42Å; N394-V396 WeakPolarHBondContact OD1-CB 3.34Å; N394-V396 PolarHBondContact OD1-N 2.83Å; N394-K397 HydrophobicContact CB-CB 4.2Å; N394-K397 WeakPolarHBondContact O-CB 3.29Å; N394-K397 PolarHBondContact O-N 2.85Å; N394-L398 WeakPolarHBondContact O-CB 3.3Å; N394-L398 PolarHBondContact O-N 3.33Å | ||
| 395 | P | 91 | Very high | 93.3 | Very high | 70 Ų | 70 | 71.3 Ų | 71.3 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.4 | -33.5 | -176.5 | 22.1 | -34.3 | 0 | 0 | 0 | 113.4 | L398 W399 | P395-L398 PolarHBondContact O-N 2.89Å; P395-W399 VanDerWaalsContact O-CB 3.31Å; P395-W399 WeakPolarHBondContact O-CB 3.41Å; P395-W399 PolarHBondContact O-N 3.43Å |
| 396 | V | 91.9 | Very high | 92.9 | Very high | 85 Ų | 85 | 77.1 Ų | 77.1 | 52% | 0.515 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -69.8 | -41.7 | 176.6 | -178.7 | 0 | 0 | 0 | 0 | 111.2 | N394 W399 K400 | N394-V396 PolarHBondContact O-N 3.42Å; N394-V396 WeakPolarHBondContact OD1-CB 3.34Å; N394-V396 PolarHBondContact OD1-N 2.83Å; V396-W399 PolarHBondContact O-N 3.09Å; V396-K400 WeakPolarHBondContact O-CG 3.38Å; V396-K400 PolarHBondContact O-N 3.44Å |
| 397 | K | 89.6 | Confident | 92.7 | Very high | 122 Ų | 122 | 81.4 Ų | 81.4 | 53% | 0.53 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 175.7 | -175.3 | -177 | 177.6 | -173.8 | 0 | 110.2 | N394 K400 H401 | N394-K397 HydrophobicContact CB-CB 4.2Å; N394-K397 WeakPolarHBondContact O-CB 3.29Å; N394-K397 PolarHBondContact O-N 2.85Å; K397-K400 PolarHBondContact O-N 2.91Å; K397-H401 WeakPolarHBondContact O-CB 3.38Å; K397-H401 PolarHBondContact O-N 2.96Å |
| 398 | L | 90.5 | Very high | 92.5 | Very high | 29 Ų | 29 | 84.4 Ų | 84.4 | 15% | 0.152 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.8 | -48.6 | 176.4 | -174.2 | 63.3 | 0 | 0 | 0 | 110.9 | P391 N394 P395 K400 H401 W402 I416 T417 | P391-L398 HydrophobicContact CB-CD2 3.8Å; P391-L398 HydrophobicContact CG-CD2 4.04Å; N394-L398 WeakPolarHBondContact O-CB 3.3Å; N394-L398 PolarHBondContact O-N 3.33Å; P395-L398 PolarHBondContact O-N 2.89Å; L398-K400 PolarHBondContact O-N 3.48Å; L398-H401 WeakPolarHBondContact O-CB 3.45Å; L398-H401 PolarHBondContact O-N 3.45Å; L398-W402 VanDerWaalsContact O-CD1 3.23Å; L398-W402 PolarHBondContact O-N 3.21Å; L398-I416 HydrophobicContact CD1-CG2 4.13Å; L398-T417 HydrophobicContact CD1-CG2 4.05Å |
| 399 | W | 91.7 | Very high | 92.1 | Very high | 155 Ų | 155 | 93.1 Ų | 93.1 | 59% | 0.587 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -59.6 | -44.8 | 177.9 | -179.3 | 77.4 | 0 | 0 | 0 | 112.8 | P395 V396 H401 W402 R403 | P395-W399 VanDerWaalsContact O-CB 3.31Å; P395-W399 WeakPolarHBondContact O-CB 3.41Å; P395-W399 PolarHBondContact O-N 3.43Å; V396-W399 PolarHBondContact O-N 3.09Å; W399-H401 VanDerWaalsContact C-N 3.33Å; W399-H401 PolarHBondContact O-N 3.4Å; W399-W402 PolarHBondContact O-N 2.96Å; W399-R403 WeakPolarHBondContact O-CB 3.39Å; W399-R403 PolarHBondContact O-N 3.45Å |
| 400 | K | 92.7 | Very high | 91.8 | Very high | 136 Ų | 136 | 91.5 Ų | 91.5 | 59% | 0.591 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -61.5 | -40.7 | 175.2 | -73.8 | -178.8 | -179.1 | -178.1 | 0 | 112.2 | V396 K397 L398 R403 H404 | V396-K400 WeakPolarHBondContact O-CG 3.38Å; V396-K400 PolarHBondContact O-N 3.44Å; K397-K400 PolarHBondContact O-N 2.91Å; L398-K400 PolarHBondContact O-N 3.48Å; K400-R403 PolarHBondContact O-N 3.01Å; K400-H404 PolarHBondContact O-N 3.37Å |
| 401 | H | 90.7 | Very high | 91.4 | Very high | 33 Ų | 33 | 97.8 Ų | 97.8 | 15% | 0.153 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63 | -50 | 178 | -175 | 68.6 | 0 | 0 | 0 | 111.8 | K397 L398 W399 R403 H404 C405 D413 I416 | K397-H401 WeakPolarHBondContact O-CB 3.38Å; K397-H401 PolarHBondContact O-N 2.96Å; L398-H401 WeakPolarHBondContact O-CB 3.45Å; L398-H401 PolarHBondContact O-N 3.45Å; W399-H401 VanDerWaalsContact C-N 3.33Å; W399-H401 PolarHBondContact O-N 3.4Å; H401-R403 VanDerWaalsContact C-N 3.3Å; H401-R403 PolarHBondContact O-N 2.95Å; H401-H404 WeakPolarHBondContact O-CB 3.49Å; H401-H404 PolarHBondContact O-N 3.46Å; H401-C405 PolarHBondContact O-N 2.91Å; H401-D413 PolarHBondContact NE2-N 3.49Å; H401-I416 HydrophobicContact CB-CG2 4.05Å |
| 402 | W | 91.2 | Very high | 91.1 | Very high | 139 Ų | 139 | 98.2 Ų | 98.2 | 53% | 0.527 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.7 | -41.8 | 175.1 | -83.1 | 99.6 | 0 | 0 | 0 | 112.3 | L398 W399 H404 C405 Y406 P412 T417 | L398-W402 VanDerWaalsContact O-CD1 3.23Å; L398-W402 PolarHBondContact O-N 3.21Å; W399-W402 PolarHBondContact O-N 2.96Å; W402-H404 VanDerWaalsContact C-N 3.29Å; W402-H404 PolarHBondContact O-N 3.4Å; W402-C405 PolarHBondContact O-N 3.32Å; W402-Y406 VanDerWaalsContact O-CB 3.31Å; W402-Y406 WeakPolarHBondContact O-CB 3.36Å; W402-Y406 PolarHBondContact O-N 3.46Å; W402-P412 HydrophobicContact CE3-CG 4.35Å; W402-P412 HydrophobicContact CH2-CG 3.87Å; W402-P412 HydrophobicContact CZ2-CG 4.3Å; W402-P412 HydrophobicContact CZ3-CG 3.89Å; W402-T417 HydrophobicContact CZ2-CG2 4.24Å |
| 403 | R | 92.8 | Very high | 90.8 | Very high | 136 Ų | 136 | 101 Ų | 101 | 51% | 0.513 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63 | -35.7 | 175.7 | -169.7 | 178.8 | -173 | -163.8 | 2.1 | 112.4 | W399 K400 H401 K407 | W399-R403 WeakPolarHBondContact O-CB 3.39Å; W399-R403 PolarHBondContact O-N 3.45Å; K400-R403 PolarHBondContact O-N 3.01Å; H401-R403 VanDerWaalsContact C-N 3.3Å; H401-R403 PolarHBondContact O-N 2.95Å; R403-K407 WeakPolarHBondContact O-CG 3.4Å; R403-K407 PolarHBondContact O-N 2.83Å |
| 404 | H | 91.4 | Very high | 90.6 | Very high | 112 Ų | 112 | 105 Ų | 105 | 52% | 0.519 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.5 | -54.8 | 175.6 | -178.8 | 77.9 | 0 | 0 | 0 | 110.9 | K400 H401 W402 Y406 K407 T408 | K400-H404 PolarHBondContact O-N 3.37Å; H401-H404 WeakPolarHBondContact O-CB 3.49Å; H401-H404 PolarHBondContact O-N 3.46Å; W402-H404 VanDerWaalsContact C-N 3.29Å; W402-H404 PolarHBondContact O-N 3.4Å; H404-Y406 PolarHBondContact O-N 3.31Å; H404-K407 WeakPolarHBondContact O-CA 3.19Å; H404-K407 WeakPolarHBondContact O-CB 3.3Å; H404-K407 PolarHBondContact O-N 3.16Å; H404-T408 PolarHBondContact O-N 3.01Å; H404-T408 PolarHBondContact O-OG1 3.38Å |
| 405 | C | 91.3 | Very high | 90.3 | Very high | 8 Ų | 8 | 107.4 Ų | 107.4 | 5% | 0.054 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -53.8 | -40.4 | 177.3 | -71.4 | 0 | 0 | 0 | 0 | 112.8 | H401 W402 K407 R409 T410 | H401-C405 PolarHBondContact O-N 2.91Å; W402-C405 PolarHBondContact O-N 3.32Å; C405-K407 VanDerWaalsContact C-N 3.34Å; C405-K407 PolarHBondContact O-N 3.19Å; C405-R409 VanDerWaalsContact O-CA 3.28Å; C405-R409 WeakPolarHBondContact O-CA 3.5Å; C405-R409 PolarHBondContact O-N 3.33Å; C405-T410 VanDerWaalsContact CB-O 3.27Å; C405-T410 WeakPolarHBondContact CB-O 3.16Å; C405-T410 PolarHBondContact O-N 3.36Å |
| 406 | Y | 91 | Very high | 90 | Very high | 202 Ų | 202 | 105.1 Ų | 105.1 | 79% | 0.792 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.1 | -39.9 | 175.6 | -177.3 | -97.9 | 0 | 0 | 0 | 112.6 | W402 H404 | W402-Y406 VanDerWaalsContact O-CB 3.31Å; W402-Y406 WeakPolarHBondContact O-CB 3.36Å; W402-Y406 PolarHBondContact O-N 3.46Å; H404-Y406 PolarHBondContact O-N 3.31Å |
| 407 | K | 93.3 | Very high | 89.8 | Confident | 149 Ų | 149 | 103.3 Ų | 103.3 | 65% | 0.648 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -74.7 | -40.1 | 179 | -75.1 | -178.2 | 175.3 | -167.8 | 0 | 113 | R403 H404 C405 | R403-K407 WeakPolarHBondContact O-CG 3.4Å; R403-K407 PolarHBondContact O-N 2.83Å; H404-K407 WeakPolarHBondContact O-CA 3.19Å; H404-K407 WeakPolarHBondContact O-CB 3.3Å; H404-K407 PolarHBondContact O-N 3.16Å; C405-K407 VanDerWaalsContact C-N 3.34Å; C405-K407 PolarHBondContact O-N 3.19Å |
| 408 | T | 91.9 | Very high | 90 | Very high | 63 Ų | 63 | 101 Ų | 101 | 39% | 0.387 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -89 | -7.9 | -176.7 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | H404 T410 | H404-T408 PolarHBondContact O-N 3.01Å; H404-T408 PolarHBondContact O-OG1 3.38Å; T408-T410 PolarHBondContact O-N 3.28Å; T408-T410 PolarHBondContact OG1-OG1 3.31Å |
| 409 | R | 87.7 | Confident | 90.2 | Very high | 238 Ų | 238 | 101.3 Ų | 101.3 | 90% | 0.898 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.2 | 36.1 | -171.5 | -60.7 | -177.9 | 174.2 | 175.4 | -1.9 | 112.7 | C405 | C405-R409 VanDerWaalsContact O-CA 3.28Å; C405-R409 WeakPolarHBondContact O-CA 3.5Å; C405-R409 PolarHBondContact O-N 3.33Å |
| 410 | T | 90.5 | Very high | 90.4 | Very high | 70 Ų | 70 | 94 Ų | 94 | 43% | 0.429 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -98.6 | 148.8 | 176.5 | 55.2 | 0 | 0 | 0 | 0 | 110.7 | C405 T408 | C405-T410 VanDerWaalsContact CB-O 3.27Å; C405-T410 WeakPolarHBondContact CB-O 3.16Å; C405-T410 PolarHBondContact O-N 3.36Å; T408-T410 PolarHBondContact O-N 3.28Å; T408-T410 PolarHBondContact OG1-OG1 3.31Å |
| 411 | E | 88.1 | Confident | 90.6 | Very high | 184 Ų | 184 | 87.5 Ų | 87.5 | 86% | 0.86 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 141.8 | 176 | -66.7 | -178.2 | 175.6 | 0 | 0 | 111.4 | D413 | E411-D413 PolarHBondContact O-N 3.47Š|
| 412 | P | 87.6 | Confident | 90.8 | Very high | 44 Ų | 44 | 87.6 Ų | 87.6 | 29% | 0.286 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 126.8 | 175.1 | -18.8 | 31.3 | 0 | 0 | 0 | 111.5 | W402 P414 T417 | W402-P412 HydrophobicContact CE3-CG 4.35Å; W402-P412 HydrophobicContact CH2-CG 3.87Å; W402-P412 HydrophobicContact CZ2-CG 4.3Å; W402-P412 HydrophobicContact CZ3-CG 3.89Å; P412-P414 WeakPolarHBondContact O-CD 3.37Å; P412-T417 HydrophobicContact CB-CG2 3.86Å |
| 413 | D | 87.6 | Confident | 91 | Very high | 65 Ų | 65 | 87.5 Ų | 87.5 | 35% | 0.348 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -49.8 | 120.5 | 169.6 | -177.5 | -6.1 | 0 | 0 | 0 | 112.1 | H401 E411 E415 I416 T417 | H401-D413 PolarHBondContact NE2-N 3.49Å; E411-D413 PolarHBondContact O-N 3.47Å; D413-E415 VanDerWaalsContact C-N 3.28Å; D413-E415 PolarHBondContact O-N 2.97Å; D413-E415 PolarHBondContact OD1-N 3Å; D413-I416 HydrophobicContact CB-CB 4.32Å; D413-I416 HydrophobicContact CB-CD1 4.07Å; D413-I416 HydrophobicContact CB-CG1 4.18Å; D413-I416 PolarHBondContact O-N 3.45Å; D413-T417 PolarHBondContact O-N 3.37Å; D413-T417 VanDerWaalsContact O-N 3.16Å; D413-T417 PolarHBondContact O-OG1 3.02Å |
| 414 | P | 87.5 | Confident | 91.1 | Very high | 98 Ų | 98 | 89.3 Ų | 89.3 | 64% | 0.636 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -63.2 | -29.2 | 179 | 25.2 | -34.3 | 0 | 0 | 0 | 113.3 | P412 I416 T417 R418 | P412-P414 WeakPolarHBondContact O-CD 3.37Å; P414-I416 VanDerWaalsContact C-N 3.35Å; P414-T417 WeakPolarHBondContact CA-OG1 3.42Å; P414-T417 PolarHBondContact O-N 2.92Å; P414-T417 PolarHBondContact O-OG1 3.32Å; P414-R418 WeakPolarHBondContact O-CB 3.24Å; P414-R418 PolarHBondContact O-N 3.2Å |
| 415 | E | 85.5 | Confident | 91.3 | Very high | 118 Ų | 118 | 85.6 Ų | 85.6 | 55% | 0.551 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -70.3 | -33.3 | 178 | -79.8 | -67.9 | 159.2 | 0 | 0 | 111.9 | D413 R418 | D413-E415 VanDerWaalsContact C-N 3.28Å; D413-E415 PolarHBondContact O-N 2.97Å; D413-E415 PolarHBondContact OD1-N 3Å; E415-R418 WeakPolarHBondContact O-CD 3.46Å; E415-R418 WeakPolarHBondContact O-CG 3.49Å; E415-R418 WeakPolarHBondContact OE2-CD 3.49Å; E415-R418 IonicContact OE2-CZ 3.92Å; E415-R418 IonicContact OE2-NE 3.79Å; E415-R418 IonicContact OE2-NH1 2.72Å; E415-R418 PolarHBondContact OE2-NH1 3.01Å |
| 416 | I | 86 | Confident | 91.5 | Very high | 22 Ų | 22 | 85.2 Ų | 85.2 | 11% | 0.113 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -76.1 | -36.6 | 177 | -64 | 175 | 0 | 0 | 0 | 110.7 | S393 L398 H401 D413 P414 | S393-I416 WeakPolarHBondContact CB-O 3.45Å; S393-I416 WeakPolarHBondContact OG-CA 3.49Å; S393-I416 PolarHBondContact OG-O 3.37Å; L398-I416 HydrophobicContact CD1-CG2 4.13Å; H401-I416 HydrophobicContact CB-CG2 4.05Å; D413-I416 HydrophobicContact CB-CB 4.32Å; D413-I416 HydrophobicContact CB-CD1 4.07Å; D413-I416 HydrophobicContact CB-CG1 4.18Å; D413-I416 PolarHBondContact O-N 3.45Å; P414-I416 VanDerWaalsContact C-N 3.35Å |
| 417 | T | 87.5 | Confident | 91.7 | Very high | 46 Ų | 46 | 79.4 Ų | 79.4 | 28% | 0.282 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -89.6 | -4.4 | -175.3 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | L398 W402 P412 D413 P414 | L398-T417 HydrophobicContact CD1-CG2 4.05Å; W402-T417 HydrophobicContact CZ2-CG2 4.24Å; P412-T417 HydrophobicContact CB-CG2 3.86Å; D413-T417 PolarHBondContact O-N 3.37Å; D413-T417 VanDerWaalsContact O-N 3.16Å; D413-T417 PolarHBondContact O-OG1 3.02Å; P414-T417 WeakPolarHBondContact CA-OG1 3.42Å; P414-T417 PolarHBondContact O-N 2.92Å; P414-T417 PolarHBondContact O-OG1 3.32Å |
| 418 | R | 93.2 | Very high | 91.7 | Very high | 74 Ų | 74 | 78.3 Ų | 78.3 | 28% | 0.279 | 39% | 0.39 | S | S | . | . | trans | -58.5 | 145.7 | 178.1 | 78.4 | -168.1 | -164.1 | 165.8 | 13.7 | 112.5 | A392 P414 E415 | A392-R418 HydrophobicContact CB-CG 3.67Å; A392-R418 WeakPolarHBondContact CB-O 3.42Å; A392-R418 PolarHBondContact N-O 3.13Å; P414-R418 WeakPolarHBondContact O-CB 3.24Å; P414-R418 PolarHBondContact O-N 3.2Å; E415-R418 WeakPolarHBondContact O-CD 3.46Å; E415-R418 WeakPolarHBondContact O-CG 3.49Å; E415-R418 WeakPolarHBondContact OE2-CD 3.49Å; E415-R418 IonicContact OE2-CZ 3.92Å; E415-R418 IonicContact OE2-NE 3.79Å; E415-R418 IonicContact OE2-NH1 2.72Å; E415-R418 PolarHBondContact OE2-NH1 3.01Å | ||
| 419 | V | 95.7 | Very high | 91.7 | Very high | 36 Ų | 36 | 78.6 Ų | 78.6 | 22% | 0.218 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -83.3 | 167.8 | 171.4 | -62.9 | 0 | 0 | 0 | 0 | 111.1 | M388 L390 L421 P422 | M388-V419 WeakPolarHBondContact O-CG1 3.43Å; L390-V419 CarbonylContact O-C 3.34Å; L390-V419 VanDerWaalsContact O-CA 3.3Å; L390-V419 WeakPolarHBondContact O-CA 3.33Å; V419-L421 VanDerWaalsContact C-N 3.27Å; V419-L421 PolarHBondContact O-N 2.9Å; V419-P422 HydrophobicContact CG2-CB 4.39Å; V419-P422 HydrophobicContact CG2-CG 4.21Å |
| 420 | L | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -59.8 | -39.3 | -179.2 | -61.9 | 159.3 | 0 | 0 | 0 | 111.9 | N108 N109 C333 L336 L340 A387 L390 A392 | N108-L420 PolarHBondContact ND2-O 3.26Å; N109-L420 PolarHBondContact ND2-O 3.31Å; C333-L420 HydrophobicContact CB-CD2 3.9Å; L336-L420 HydrophobicContact CB-CD2 4.24Å; L336-L420 HydrophobicContact CD2-CD1 3.74Å; L336-L420 HydrophobicContact CD2-CD2 4.13Å; L336-L420 HydrophobicContact CD2-CG 4.31Å; L336-L420 HydrophobicContact CG-CD1 3.83Å; L336-L420 HydrophobicContact CG-CD2 4.29Å; L340-L420 HydrophobicContact CD1-CD1 3.66Å; A387-L420 WeakPolarHBondContact O-CB 3.46Å; A387-L420 PolarHBondContact O-N 3.23Å; L390-L420 HydrophobicContact CB-CD1 3.77Å; L390-L420 HydrophobicContact CB-CG 4.49Å; L390-L420 HydrophobicContact CD1-CD1 4.48Å; L390-L420 PolarHBondContact O-N 3.48Å; A392-L420 HydrophobicContact CB-CD2 4.45Å |
| 421 | L | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -131.2 | 95 | 174.9 | -176.3 | 63 | 0 | 0 | 0 | 111.3 | M101 C104 A105 N108 A387 M388 V419 V425 A426 | M101-L421 HydrophobicContact CG-CD2 3.54Å; M101-L421 WeakPolarHBondContact O-CD2 3.39Å; M101-L421 HydrophobicContact SD-CD2 3.49Å; M101-L421 WeakPolarHBondContact SD-CD2 3.43Å; C104-L421 HydrophobicContact CB-CD1 4.02Å; C104-L421 HydrophobicContact CB-CD2 4.25Å; A105-L421 HydrophobicContact CB-CB 3.99Å; A105-L421 HydrophobicContact CB-CD2 4.34Å; N108-L421 HydrophobicContact CB-CD1 4.5Å; A387-L421 HydrophobicContact CB-CB 4.31Å; A387-L421 PolarHBondContact O-N 2.9Å; M388-L421 HydrophobicContact CE-CD2 3.99Å; M388-L421 HydrophobicContact CG-CB 4.47Å; V419-L421 VanDerWaalsContact C-N 3.27Å; V419-L421 PolarHBondContact O-N 2.9Å; L421-V425 HydrophobicContact CD1-CB 4.34Å; L421-V425 HydrophobicContact CD1-CG1 4.14Å; L421-A426 HydrophobicContact CD1-CB 4.31Å; L421-A426 HydrophobicContact CD2-CB 4.18Å; L421-A426 HydrophobicContact CG-CB 4.15Å |
| 422 | P | 96 | Very high | 92.2 | Very high | 36 Ų | 36 | 61.8 Ų | 61.8 | 23% | 0.234 | 31% | 0.311 | C | S | . | . | trans | -64.4 | 140.7 | 173.1 | -21 | 33.1 | 0 | 0 | 0 | 111 | V419 K424 V425 A426 | V419-P422 HydrophobicContact CG2-CB 4.39Å; V419-P422 HydrophobicContact CG2-CG 4.21Å; P422-K424 VanDerWaalsContact C-N 3.25Å; P422-K424 PolarHBondContact O-N 3.29Å; P422-V425 HydrophobicContact CB-CG2 4.12Å; P422-V425 HydrophobicContact CG-CG2 4.13Å; P422-V425 WeakPolarHBondContact O-CA 3.24Å; P422-V425 WeakPolarHBondContact O-CB 3.46Å; P422-V425 PolarHBondContact O-N 2.86Å; P422-A426 PolarHBondContact O-N 3Å | ||
| 423 | W | 95.1 | Very high | 92.4 | Very high | 136 Ų | 136 | 60.8 Ų | 60.8 | 52% | 0.515 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.8 | -39.3 | -179.9 | -179.8 | -110.5 | 0 | 0 | 0 | 113.2 | M388 V425 A426 L427 W432 | M388-W423 HydrophobicContact CE-CE3 3.95Å; M388-W423 HydrophobicContact CE-CZ3 4.11Å; M388-W423 HydrophobicContact SD-CE3 4.13Å; W423-V425 VanDerWaalsContact C-N 3.26Å; W423-V425 PolarHBondContact O-N 3.28Å; W423-A426 HydrophobicContact CE3-CB 4.42Å; W423-A426 WeakPolarHBondContact O-CB 3.42Å; W423-A426 PolarHBondContact O-N 2.73Å; W423-A426 VanDerWaalsContact O-N 3.16Å; W423-L427 HydrophobicContact CD2-CG 4.41Å; W423-L427 HydrophobicContact CZ2-CD2 3.79Å; W423-L427 HydrophobicContact CZ2-CG 4.3Å; W423-L427 WeakPolarHBondContact O-CG 3.04Å; W423-L427 PolarHBondContact O-N 3.45Å; W423-W432 HydrophobicContact CH2-CH2 4.33Å |
| 424 | K | 95 | Very high | 92.6 | Very high | 174 Ų | 174 | 59.6 Ų | 59.6 | 76% | 0.757 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.4 | -35.7 | 176.1 | -67.4 | -176.1 | 178.5 | -180 | 0 | 112.7 | P422 | P422-K424 VanDerWaalsContact C-N 3.25Å; P422-K424 PolarHBondContact O-N 3.29Å |
| 425 | V | 94.6 | Very high | 92.8 | Very high | 35 Ų | 35 | 55.8 Ų | 55.8 | 21% | 0.212 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.7 | -43.5 | 175.5 | 178.2 | 0 | 0 | 0 | 0 | 110.1 | N108 L421 P422 W423 L427 V428 K429 | N108-V425 HydrophobicContact CB-CG1 4.14Å; L421-V425 HydrophobicContact CD1-CB 4.34Å; L421-V425 HydrophobicContact CD1-CG1 4.14Å; P422-V425 HydrophobicContact CB-CG2 4.12Å; P422-V425 HydrophobicContact CG-CG2 4.13Å; P422-V425 WeakPolarHBondContact O-CA 3.24Å; P422-V425 WeakPolarHBondContact O-CB 3.46Å; P422-V425 PolarHBondContact O-N 2.86Å; W423-V425 VanDerWaalsContact C-N 3.26Å; W423-V425 PolarHBondContact O-N 3.28Å; V425-L427 VanDerWaalsContact C-N 3.33Å; V425-L427 PolarHBondContact O-N 3.49Å; V425-V428 PolarHBondContact O-N 3.04Å; V425-K429 HydrophobicContact CG1-CD 3.68Å; V425-K429 HydrophobicContact CG1-CG 3.97Å; V425-K429 WeakPolarHBondContact O-CB 3.48Å; V425-K429 PolarHBondContact O-N 3.19Å |
| 426 | A | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.4 | -46.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | M101 M388 L421 P422 W423 V428 K429 F430 | M101-A426 HydrophobicContact CE-CB 4.49Å; M101-A426 HydrophobicContact SD-CB 3.67Å; M388-A426 HydrophobicContact CE-CB 4.08Å; L421-A426 HydrophobicContact CD1-CB 4.31Å; L421-A426 HydrophobicContact CD2-CB 4.18Å; L421-A426 HydrophobicContact CG-CB 4.15Å; P422-A426 PolarHBondContact O-N 3Å; W423-A426 HydrophobicContact CE3-CB 4.42Å; W423-A426 WeakPolarHBondContact O-CB 3.42Å; W423-A426 PolarHBondContact O-N 2.73Å; W423-A426 VanDerWaalsContact O-N 3.16Å; A426-V428 PolarHBondContact O-N 3.48Å; A426-V428 VanDerWaalsContact O-N 3.15Å; A426-K429 PolarHBondContact O-N 3.16Å; A426-F430 WeakPolarHBondContact O-CA 3.31Å; A426-F430 WeakPolarHBondContact O-CB 3.25Å; A426-F430 PolarHBondContact O-N 3.44Å |
| 427 | L | 95.7 | Very high | 93.6 | Very high | 80 Ų | 80 | 52 Ų | 52 | 42% | 0.419 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -53.8 | -38 | 178.3 | -76.3 | 174.3 | 0 | 0 | 0 | 113.6 | W423 V425 W432 | W423-L427 HydrophobicContact CD2-CG 4.41Å; W423-L427 HydrophobicContact CZ2-CD2 3.79Å; W423-L427 HydrophobicContact CZ2-CG 4.3Å; W423-L427 WeakPolarHBondContact O-CG 3.04Å; W423-L427 PolarHBondContact O-N 3.45Å; V425-L427 VanDerWaalsContact C-N 3.33Å; V425-L427 PolarHBondContact O-N 3.49Å; L427-W432 HydrophobicContact CD2-CZ2 4.11Å; L427-W432 PolarHBondContact O-NE1 3.15Å |
| 428 | V | 93.6 | Very high | 93.9 | Very high | 126 Ų | 126 | 49.9 Ų | 49.9 | 76% | 0.764 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -88.2 | -44.3 | -175.8 | 177.6 | 0 | 0 | 0 | 0 | 112.3 | V425 A426 | V425-V428 PolarHBondContact O-N 3.04Å; A426-V428 PolarHBondContact O-N 3.48Å; A426-V428 VanDerWaalsContact O-N 3.15Å |
| 429 | K | 90.8 | Very high | 93.9 | Very high | 69 Ų | 69 | 46.3 Ų | 46.3 | 30% | 0.3 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -83.3 | -25.7 | -174.4 | -67 | -164.7 | 172.5 | -149.6 | 0 | 113.4 | E107 V425 A426 | E107-K429 WeakPolarHBondContact OE1-CD 3.24Å; E107-K429 WeakPolarHBondContact OE1-CE 3.47Å; E107-K429 IonicContact OE1-NZ 2.75Å; E107-K429 PolarHBondContact OE1-NZ 2.86Å; V425-K429 HydrophobicContact CG1-CD 3.68Å; V425-K429 HydrophobicContact CG1-CG 3.97Å; V425-K429 WeakPolarHBondContact O-CB 3.48Å; V425-K429 PolarHBondContact O-N 3.19Å; A426-K429 PolarHBondContact O-N 3.16Å |
| 430 | F | 93.7 | Very high | 93.8 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.022 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -71.3 | 129.2 | -176.3 | -173 | -90.5 | 0 | 0 | 0 | 110.6 | F97 L100 M101 A426 W432 I435 | F97-F430 HydrophobicContact CB-CZ 4.42Å; F97-F430 AromaticContact CD2-CE1 3.93Å; F97-F430 HydrophobicContact CD2-CE1 3.93Å; F97-F430 HydrophobicContact CD2-CE2 4.15Å; F97-F430 AromaticContact CD2-CZ 3.35Å; F97-F430 HydrophobicContact CD2-CZ 3.35Å; F97-F430 AromaticContact CE2-CE1 3.99Å; F97-F430 HydrophobicContact CE2-CE1 3.99Å; F97-F430 HydrophobicContact CE2-CE2 4.33Å; F97-F430 AromaticContact CE2-CZ 3.69Å; F97-F430 HydrophobicContact CE2-CZ 3.69Å; F97-F430 HydrophobicContact CG-CE2 4.45Å; F97-F430 AromaticContact CG-CZ 3.96Å; F97-F430 HydrophobicContact CG-CZ 3.96Å; F97-F430 WeakPolarHBondContact O-CE2 3.33Å; L100-F430 HydrophobicContact CB-CD2 4.15Å; L100-F430 HydrophobicContact CB-CE2 3.57Å; L100-F430 HydrophobicContact CB-CZ 4.24Å; L100-F430 HydrophobicContact CD1-CE2 4.48Å; L100-F430 HydrophobicContact CD1-CZ 4.39Å; M101-F430 HydrophobicContact CB-CE2 4.38Å; M101-F430 HydrophobicContact CE-CD2 3.64Å; M101-F430 HydrophobicContact CE-CE2 3.77Å; M101-F430 HydrophobicContact CE-CG 4.27Å; M101-F430 HydrophobicContact CE-CZ 4.49Å; M101-F430 HydrophobicContact SD-CD2 3.93Å; M101-F430 HydrophobicContact SD-CE2 4.43Å; A426-F430 WeakPolarHBondContact O-CA 3.31Å; A426-F430 WeakPolarHBondContact O-CB 3.25Å; A426-F430 PolarHBondContact O-N 3.44Å; F430-W432 VanDerWaalsContact C-N 3.29Å; F430-W432 HydrophobicContact CB-CZ2 4.43Å; F430-W432 AromaticContact CD1-CD2 3.5Å; F430-W432 HydrophobicContact CD1-CD2 3.5Å; F430-W432 AromaticContact CD1-CE2 3.6Å; F430-W432 AromaticContact CD1-CE3 3.78Å; F430-W432 HydrophobicContact CD1-CE3 3.78Å; F430-W432 AromaticContact CD1-CG 3.89Å; F430-W432 HydrophobicContact CD1-CG 3.89Å; F430-W432 HydrophobicContact CD1-CH2 4.22Å; F430-W432 AromaticContact CD1-CZ2 3.96Å; F430-W432 HydrophobicContact CD1-CZ2 3.96Å; F430-W432 HydrophobicContact CD1-CZ3 4.14Å; F430-W432 AromaticContact CE1-CD2 3.99Å; F430-W432 HydrophobicContact CE1-CD2 3.99Å; F430-W432 AromaticContact CE1-CE3 3.79Å; F430-W432 HydrophobicContact CE1-CE3 3.79Å; F430-W432 HydrophobicContact CE1-CH2 4.45Å; F430-W432 HydrophobicContact CE1-CZ3 4.04Å; F430-W432 HydrophobicContact CG-CZ2 4.42Å; F430-W432 PolarHBondContact O-N 3.32Å; F430-I435 HydrophobicContact CE1-CD1 4.45Å; F430-I435 HydrophobicContact CE1-CG1 3.66Å; F430-I435 HydrophobicContact CZ-CD1 4.07Å; F430-I435 HydrophobicContact CZ-CG1 3.77Å |
| 431 | P | 91.2 | Very high | 93.6 | Very high | 36 Ų | 36 | 44.6 Ų | 44.6 | 23% | 0.234 | 23% | 0.225 | C | C | . | . | trans | -83 | 70.2 | -174.2 | 35.2 | -37 | 0 | 0 | 0 | 111.6 | L100 G433 V434 | L100-P431 HydrophobicContact CD1-CG 3.69Å; L100-P431 HydrophobicContact CD2-CG 4.12Å; L100-P431 HydrophobicContact CG-CG 4.41Å; P431-G433 PolarHBondContact O-N 3.09Å; P431-G433 VanDerWaalsContact O-N 3.13Å; P431-V434 HydrophobicContact CB-CB 4.46Å; P431-V434 HydrophobicContact CB-CG2 3.87Å; P431-V434 HydrophobicContact CG-CG2 4.45Å; P431-V434 WeakPolarHBondContact O-CB 3.33Å; P431-V434 PolarHBondContact O-N 2.9Å | ||
| 432 | W | 93.4 | Very high | 93.4 | Very high | 98 Ų | 98 | 44.7 Ų | 44.7 | 37% | 0.371 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -50.3 | -39.4 | -177.1 | -63 | 100.5 | 0 | 0 | 0 | 114.2 | F97 W423 L427 F430 V434 I435 L436 | F97-W432 HydrophobicContact CE2-CH2 4.13Å; F97-W432 AromaticContact CE2-CZ3 3.87Å; F97-W432 HydrophobicContact CE2-CZ3 3.87Å; W423-W432 HydrophobicContact CH2-CH2 4.33Å; L427-W432 HydrophobicContact CD2-CZ2 4.11Å; L427-W432 PolarHBondContact O-NE1 3.15Å; F430-W432 VanDerWaalsContact C-N 3.29Å; F430-W432 HydrophobicContact CB-CZ2 4.43Å; F430-W432 AromaticContact CD1-CD2 3.5Å; F430-W432 HydrophobicContact CD1-CD2 3.5Å; F430-W432 AromaticContact CD1-CE2 3.6Å; F430-W432 AromaticContact CD1-CE3 3.78Å; F430-W432 HydrophobicContact CD1-CE3 3.78Å; F430-W432 AromaticContact CD1-CG 3.89Å; F430-W432 HydrophobicContact CD1-CG 3.89Å; F430-W432 HydrophobicContact CD1-CH2 4.22Å; F430-W432 AromaticContact CD1-CZ2 3.96Å; F430-W432 HydrophobicContact CD1-CZ2 3.96Å; F430-W432 HydrophobicContact CD1-CZ3 4.14Å; F430-W432 AromaticContact CE1-CD2 3.99Å; F430-W432 HydrophobicContact CE1-CD2 3.99Å; F430-W432 AromaticContact CE1-CE3 3.79Å; F430-W432 HydrophobicContact CE1-CE3 3.79Å; F430-W432 HydrophobicContact CE1-CH2 4.45Å; F430-W432 HydrophobicContact CE1-CZ3 4.04Å; F430-W432 HydrophobicContact CG-CZ2 4.42Å; F430-W432 PolarHBondContact O-N 3.32Å; W432-V434 PolarHBondContact O-N 2.91Å; W432-I435 WeakPolarHBondContact O-CB 3.42Å; W432-I435 PolarHBondContact O-N 3.28Å; W432-L436 PolarHBondContact O-N 2.99Å |
| 433 | G | 91.7 | Very high | 93.4 | Very high | 22 Ų | 22 | 43 Ų | 43 | 23% | 0.227 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.5 | -33.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P431 L436 V437 | P431-G433 PolarHBondContact O-N 3.09Å; P431-G433 VanDerWaalsContact O-N 3.13Å; G433-L436 PolarHBondContact O-N 3.13Å; G433-V437 VanDerWaalsContact O-CG2 3.27Å; G433-V437 WeakPolarHBondContact O-CG2 3.42Å; G433-V437 PolarHBondContact O-N 3.04Å |
| 434 | V | 90.7 | Very high | 93.4 | Very high | 41 Ų | 41 | 36.5 Ų | 36.5 | 25% | 0.248 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.9 | -39.9 | -179.8 | -171.5 | 0 | 0 | 0 | 0 | 111 | F96 P250 P431 W432 L436 V437 V438 | F96-V434 HydrophobicContact CE1-CB 4.21Å; F96-V434 HydrophobicContact CE1-CG1 3.45Å; F96-V434 VanDerWaalsContact CE1-CG1 3.45Å; F96-V434 HydrophobicContact CZ-CG1 3.8Å; P250-V434 HydrophobicContact CB-CG1 4.06Å; P250-V434 HydrophobicContact CG-CG1 3.42Å; P250-V434 VanDerWaalsContact CG-CG1 3.42Å; P431-V434 HydrophobicContact CB-CB 4.46Å; P431-V434 HydrophobicContact CB-CG2 3.87Å; P431-V434 HydrophobicContact CG-CG2 4.45Å; P431-V434 WeakPolarHBondContact O-CB 3.33Å; P431-V434 PolarHBondContact O-N 2.9Å; W432-V434 PolarHBondContact O-N 2.91Å; V434-L436 VanDerWaalsContact C-N 3.3Å; V434-L436 PolarHBondContact O-N 3.43Å; V434-V437 PolarHBondContact O-N 3.16Å; V434-V438 HydrophobicContact CG1-CG2 4.43Å; V434-V438 WeakPolarHBondContact O-CG2 3.43Å; V434-V438 PolarHBondContact O-N 3.12Å |
| 435 | I | 92.8 | Very high | 93.3 | Very high | 17 Ų | 17 | 28.2 Ų | 28.2 | 9% | 0.087 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.1 | -40.8 | 175 | -64.8 | -72.2 | 0 | 0 | 0 | 111.1 | N93 F96 F97 L100 F430 W432 G439 | N93-I435 WeakPolarHBondContact ND2-CG2 3.35Å; N93-I435 PolarHBondContact ND2-O 3.41Å; F96-I435 HydrophobicContact CB-CD1 4.48Å; F96-I435 HydrophobicContact CD1-CD1 3.6Å; F96-I435 HydrophobicContact CE1-CD1 4.35Å; F96-I435 HydrophobicContact CG-CD1 4.47Å; F97-I435 HydrophobicContact CB-CD1 4Å; F97-I435 HydrophobicContact CD2-CD1 4.41Å; L100-I435 HydrophobicContact CD1-CD1 4.31Å; F430-I435 HydrophobicContact CE1-CD1 4.45Å; F430-I435 HydrophobicContact CE1-CG1 3.66Å; F430-I435 HydrophobicContact CZ-CD1 4.07Å; F430-I435 HydrophobicContact CZ-CG1 3.77Å; W432-I435 WeakPolarHBondContact O-CB 3.42Å; W432-I435 PolarHBondContact O-N 3.28Å; I435-G439 PolarHBondContact O-N 3.31Å |
| 436 | L | 94.7 | Very high | 93.2 | Very high | 60 Ų | 60 | 27.1 Ų | 27.1 | 31% | 0.314 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -66.5 | -41.3 | 176.1 | -70.5 | 177.5 | 0 | 0 | 0 | 112 | A66 L67 Y88 W432 G433 V434 G439 G440 | A66-L436 WeakPolarHBondContact CB-O 3.34Å; L67-L436 HydrophobicContact CD2-CD2 4.25Å; Y88-L436 HydrophobicContact CD1-CD2 4.42Å; W432-L436 PolarHBondContact O-N 2.99Å; G433-L436 PolarHBondContact O-N 3.13Å; V434-L436 VanDerWaalsContact C-N 3.3Å; V434-L436 PolarHBondContact O-N 3.43Å; L436-G439 PolarHBondContact O-N 2.95Å; L436-G440 PolarHBondContact O-N 2.92Å |
| 437 | V | 93.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.3 | -44.4 | 179 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | I62 A66 G433 V434 G439 G440 G441 | I62-V437 HydrophobicContact CB-CG2 4.4Å; I62-V437 HydrophobicContact CD1-CG2 4.1Å; I62-V437 HydrophobicContact CG1-CG2 3.93Å; A66-V437 HydrophobicContact CB-CG2 4.34Å; G433-V437 VanDerWaalsContact O-CG2 3.27Å; G433-V437 WeakPolarHBondContact O-CG2 3.42Å; G433-V437 PolarHBondContact O-N 3.04Å; V434-V437 PolarHBondContact O-N 3.16Å; V437-G439 VanDerWaalsContact C-N 3.34Å; V437-G439 PolarHBondContact O-N 2.93Å; V437-G440 PolarHBondContact O-N 3.45Å; V437-G441 PolarHBondContact O-N 3.35Å |
| 438 | V | 92.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 174.5 | 172.7 | 0 | 0 | 0 | 0 | 110.3 | N93 F96 P250 I254 V434 G440 G441 F442 | N93-V438 WeakPolarHBondContact OD1-CG1 3.49Å; F96-V438 HydrophobicContact CD1-CG2 4.44Å; F96-V438 HydrophobicContact CE1-CG2 4.37Å; P250-V438 HydrophobicContact CB-CG2 3.86Å; I254-V438 HydrophobicContact CG1-CB 4.43Å; I254-V438 HydrophobicContact CG1-CG1 4.28Å; I254-V438 HydrophobicContact CG1-CG2 4.22Å; V434-V438 HydrophobicContact CG1-CG2 4.43Å; V434-V438 WeakPolarHBondContact O-CG2 3.43Å; V434-V438 PolarHBondContact O-N 3.12Å; V438-G440 PolarHBondContact O-N 3.46Å; V438-G441 PolarHBondContact O-N 3.14Å; V438-F442 HydrophobicContact CG1-CD2 4.32Å; V438-F442 HydrophobicContact CG1-CE1 4.33Å; V438-F442 HydrophobicContact CG1-CE2 3.47Å; V438-F442 VanDerWaalsContact CG1-CE2 3.47Å; V438-F442 HydrophobicContact CG1-CZ 3.46Å; V438-F442 VanDerWaalsContact CG1-CZ 3.46Å; V438-F442 WeakPolarHBondContact O-CD2 3.33Å; V438-F442 WeakPolarHBondContact O-CG 3.49Å; V438-F442 PolarHBondContact O-N 3.08Å; V438-F442 VanDerWaalsContact O-N 3.17Å |
| 439 | G | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.2 | -38.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I435 L436 V437 G441 F442 A443 | I435-G439 PolarHBondContact O-N 3.31Å; L436-G439 PolarHBondContact O-N 2.95Å; V437-G439 VanDerWaalsContact C-N 3.34Å; V437-G439 PolarHBondContact O-N 2.93Å; G439-G441 VanDerWaalsContact C-N 3.35Å; G439-F442 WeakPolarHBondContact O-CB 3.41Å; G439-F442 PolarHBondContact O-N 3.48Å; G439-A443 WeakPolarHBondContact O-CB 3.22Å; G439-A443 PolarHBondContact O-N 3.25Å |
| 440 | G | 93.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.5 | -35.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A66 L436 V437 V438 A443 L444 | A66-G440 VanDerWaalsContact O-CA 3.29Å; A66-G440 WeakPolarHBondContact O-CA 3.26Å; L436-G440 PolarHBondContact O-N 2.92Å; V437-G440 PolarHBondContact O-N 3.45Å; V438-G440 PolarHBondContact O-N 3.46Å; G440-A443 PolarHBondContact O-N 3.21Å; G440-L444 WeakPolarHBondContact O-CB 3.35Å; G440-L444 PolarHBondContact O-N 2.88Å |
| 441 | G | 92.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.5 | -44.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V437 V438 G439 L444 A445 S495 | V437-G441 PolarHBondContact O-N 3.35Å; V438-G441 PolarHBondContact O-N 3.14Å; G439-G441 VanDerWaalsContact C-N 3.35Å; G441-L444 PolarHBondContact O-N 3.36Å; G441-A445 WeakPolarHBondContact O-CB 3.46Å; G441-A445 PolarHBondContact O-N 3.43Å; G441-S495 VanDerWaalsContact CA-OG 3.3Å; G441-S495 WeakPolarHBondContact CA-OG 3.43Å |
| 442 | F | 92.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.1 | -39.8 | 174 | -56.9 | -29.4 | 0 | 0 | 0 | 112.3 | S87 R90 T92 N93 S253 V438 G439 A445 T446 | S87-F442 WeakPolarHBondContact O-CD2 3.27Å; R90-F442 HydrophobicContact CB-CD2 4.16Å; R90-F442 HydrophobicContact CB-CE2 4.33Å; R90-F442 HydrophobicContact CG-CD2 4.11Å; T92-F442 HydrophobicContact CG2-CZ 4.11Å; N93-F442 HydrophobicContact CB-CE2 4.21Å; S253-F442 WeakPolarHBondContact O-CZ 3.5Å; V438-F442 HydrophobicContact CG1-CD2 4.32Å; V438-F442 HydrophobicContact CG1-CE1 4.33Å; V438-F442 HydrophobicContact CG1-CE2 3.47Å; V438-F442 VanDerWaalsContact CG1-CE2 3.47Å; V438-F442 HydrophobicContact CG1-CZ 3.46Å; V438-F442 VanDerWaalsContact CG1-CZ 3.46Å; V438-F442 WeakPolarHBondContact O-CD2 3.33Å; V438-F442 WeakPolarHBondContact O-CG 3.49Å; V438-F442 PolarHBondContact O-N 3.08Å; V438-F442 VanDerWaalsContact O-N 3.17Å; G439-F442 WeakPolarHBondContact O-CB 3.41Å; G439-F442 PolarHBondContact O-N 3.48Å; F442-A445 PolarHBondContact O-N 3.05Å; F442-T446 PolarHBondContact O-N 3Å; F442-T446 PolarHBondContact O-OG1 3.47Å |
| 443 | A | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.8 | -41.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P69 I84 Y88 G439 G440 T446 V447 | P69-A443 HydrophobicContact CB-CB 3.75Å; P69-A443 HydrophobicContact CG-CB 4.08Å; I84-A443 HydrophobicContact CG2-CB 3.97Å; Y88-A443 HydrophobicContact CD2-CB 4.37Å; Y88-A443 HydrophobicContact CE2-CB 3.51Å; G439-A443 WeakPolarHBondContact O-CB 3.22Å; G439-A443 PolarHBondContact O-N 3.25Å; G440-A443 PolarHBondContact O-N 3.21Å; A443-T446 PolarHBondContact O-N 2.73Å; A443-V447 WeakPolarHBondContact O-CG2 2.88Å; A443-V447 PolarHBondContact O-N 3.13Å |
| 444 | L | 95 | Very high | 93 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.9 | -47.4 | 172.9 | 176.7 | 58.5 | 0 | 0 | 0 | 110.9 | V47 L48 M51 W55 P69 G440 G441 T446 V447 M448 | V47-L444 HydrophobicContact CG1-CD1 4.24Å; L48-L444 HydrophobicContact CB-CD1 4.39Å; L48-L444 HydrophobicContact CD1-CD1 4.26Å; L48-L444 HydrophobicContact CD1-CD2 4.03Å; M51-L444 HydrophobicContact CE-CB 4.32Å; M51-L444 HydrophobicContact CE-CD2 4.44Å; M51-L444 HydrophobicContact SD-CB 3.99Å; M51-L444 HydrophobicContact SD-CD1 3.79Å; M51-L444 HydrophobicContact SD-CD2 4.04Å; M51-L444 HydrophobicContact SD-CG 4.14Å; W55-L444 HydrophobicContact CH2-CD2 4.28Å; W55-L444 HydrophobicContact CZ3-CD2 3.89Å; P69-L444 HydrophobicContact CG-CB 4.35Å; G440-L444 WeakPolarHBondContact O-CB 3.35Å; G440-L444 PolarHBondContact O-N 2.88Å; G441-L444 PolarHBondContact O-N 3.36Å; L444-T446 VanDerWaalsContact C-N 3.31Å; L444-T446 PolarHBondContact O-N 3.18Å; L444-V447 PolarHBondContact O-N 3.3Å; L444-V447 VanDerWaalsContact O-N 3.13Å; L444-M448 HydrophobicContact CD1-CG 4.09Å; L444-M448 HydrophobicContact CD1-SD 4.24Å; L444-M448 HydrophobicContact CG-CG 4.41Å; L444-M448 HydrophobicContact CG-SD 4.11Å; L444-M448 VanDerWaalsContact O-CG 3.3Å; L444-M448 WeakPolarHBondContact O-CG 3.22Å; L444-M448 PolarHBondContact O-N 2.99Å |
| 445 | A | 92.5 | Very high | 93 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58 | -42.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T258 G441 F442 M448 Q449 P499 | T258-A445 HydrophobicContact CG2-CB 4.23Å; G441-A445 WeakPolarHBondContact O-CB 3.46Å; G441-A445 PolarHBondContact O-N 3.43Å; F442-A445 PolarHBondContact O-N 3.05Å; A445-M448 PolarHBondContact O-N 2.95Å; A445-Q449 WeakPolarHBondContact O-CB 3.14Å; A445-Q449 VanDerWaalsContact O-CG 3.25Å; A445-Q449 WeakPolarHBondContact O-CG 3.44Å; A445-Q449 PolarHBondContact O-N 2.78Å; A445-P499 HydrophobicContact CB-CG 4.06Å |
| 446 | T | 92.9 | Very high | 92.9 | Very high | 12 Ų | 12 | 18 Ų | 18 | 7% | 0.074 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 174.8 | -61.9 | 0 | 0 | 0 | 0 | 111.7 | T83 S87 N261 F442 A443 L444 Q449 A450 | T83-T446 HydrophobicContact CG2-CG2 4.34Å; S87-T446 PolarHBondContact OG-OG1 2.93Å; N261-T446 PolarHBondContact ND2-OG1 2.9Å; F442-T446 PolarHBondContact O-N 3Å; F442-T446 PolarHBondContact O-OG1 3.47Å; A443-T446 PolarHBondContact O-N 2.73Å; L444-T446 VanDerWaalsContact C-N 3.31Å; L444-T446 PolarHBondContact O-N 3.18Å; T446-Q449 PolarHBondContact O-N 2.93Å; T446-A450 WeakPolarHBondContact O-CB 3.47Å; T446-A450 PolarHBondContact O-N 3.24Å |
| 447 | V | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.7 | -42.4 | 175.6 | 167.8 | 0 | 0 | 0 | 0 | 111.4 | V47 P69 I78 I84 A443 L444 Q449 S451 | V47-V447 HydrophobicContact CB-CG1 4.12Å; V47-V447 HydrophobicContact CG1-CG1 4.18Å; V47-V447 HydrophobicContact CG2-CG1 4.21Å; P69-V447 HydrophobicContact CB-CG2 4.03Å; I78-V447 HydrophobicContact CD1-CG1 3.75Å; I78-V447 HydrophobicContact CG2-CG1 4.26Å; I84-V447 HydrophobicContact CD1-CG2 3.87Å; I84-V447 HydrophobicContact CG1-CG2 4.25Å; I84-V447 HydrophobicContact CG2-CG2 4.48Å; A443-V447 WeakPolarHBondContact O-CG2 2.88Å; A443-V447 PolarHBondContact O-N 3.13Å; L444-V447 PolarHBondContact O-N 3.3Å; L444-V447 VanDerWaalsContact O-N 3.13Å; V447-Q449 VanDerWaalsContact C-N 3.29Å; V447-Q449 PolarHBondContact O-N 3.44Å; V447-S451 VanDerWaalsContact O-CB 3.24Å; V447-S451 WeakPolarHBondContact O-CB 3.27Å; V447-S451 PolarHBondContact O-N 2.95Å; V447-S451 PolarHBondContact O-OG 2.92Å |
| 448 | M | 93.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.2 | -30.2 | 177.3 | -68.9 | -179.6 | 64.5 | 0 | 0 | 113 | L48 L444 A445 S451 L453 T454 I457 P499 I500 | L48-M448 HydrophobicContact CD1-CE 4.47Å; L48-M448 HydrophobicContact CD1-SD 3.9Å; L48-M448 HydrophobicContact CD2-CE 4Å; L48-M448 HydrophobicContact CD2-SD 4.37Å; L444-M448 HydrophobicContact CD1-CG 4.09Å; L444-M448 HydrophobicContact CD1-SD 4.24Å; L444-M448 HydrophobicContact CG-CG 4.41Å; L444-M448 HydrophobicContact CG-SD 4.11Å; L444-M448 VanDerWaalsContact O-CG 3.3Å; L444-M448 WeakPolarHBondContact O-CG 3.22Å; L444-M448 PolarHBondContact O-N 2.99Å; A445-M448 PolarHBondContact O-N 2.95Å; M448-S451 WeakPolarHBondContact CA-OG 3.38Å; M448-S451 PolarHBondContact O-OG 2.95Å; M448-L453 HydrophobicContact CE-CD2 4.22Å; M448-L453 HydrophobicContact CG-CD2 4.18Å; M448-L453 PolarHBondContact O-N 3.33Å; M448-L453 VanDerWaalsContact O-N 3.14Å; M448-T454 PolarHBondContact O-N 2.9Å; M448-T454 VanDerWaalsContact O-N 3.15Å; M448-T454 PolarHBondContact O-OG1 3.16Å; M448-T454 VanDerWaalsContact O-OG1 3.06Å; M448-I457 HydrophobicContact CE-CD1 4.34Å; M448-P499 HydrophobicContact CE-CB 3.77Å; M448-P499 HydrophobicContact SD-CB 3.7Å; M448-P499 HydrophobicContact SD-CG 4.18Å; M448-I500 HydrophobicContact CE-CG1 4.27Å |
| 449 | Q | 91.3 | Very high | 92.4 | Very high | 52 Ų | 52 | 19.7 Ų | 19.7 | 24% | 0.243 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -76 | -52.3 | 174.8 | -75.7 | 173 | 23 | 0 | 0 | 111.3 | R262 A445 T446 V447 S451 S452 | R262-Q449 VanDerWaalsContact NH1-NE2 3.12Å; A445-Q449 WeakPolarHBondContact O-CB 3.14Å; A445-Q449 VanDerWaalsContact O-CG 3.25Å; A445-Q449 WeakPolarHBondContact O-CG 3.44Å; A445-Q449 PolarHBondContact O-N 2.78Å; T446-Q449 PolarHBondContact O-N 2.93Å; V447-Q449 VanDerWaalsContact C-N 3.29Å; V447-Q449 PolarHBondContact O-N 3.44Å; Q449-S451 PolarHBondContact O-N 2.93Å; Q449-S452 PolarHBondContact O-N 3.43Å |
| 450 | A | 93.1 | Very high | 92.3 | Very high | 37 Ų | 37 | 26.4 Ų | 26.4 | 31% | 0.306 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -64.1 | -26.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I78 A79 T446 S452 | I78-A450 HydrophobicContact CG2-CB 3.99Å; A79-A450 HydrophobicContact CB-CB 3.83Å; T446-A450 WeakPolarHBondContact O-CB 3.47Å; T446-A450 PolarHBondContact O-N 3.24Å; A450-S452 VanDerWaalsContact C-N 3.29Å |
| 451 | S | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -7.8 | 172.7 | 55.1 | 0 | 0 | 0 | 0 | 114.3 | K40 P41 V447 M448 Q449 L453 | K40-S451 CarbonylContact C-O 3.33Å; K40-S451 VanDerWaalsContact O-CB 3.23Å; K40-S451 WeakPolarHBondContact O-CB 3.35Å; P41-S451 WeakPolarHBondContact CA-O 3.35Å; P41-S451 VanDerWaalsContact CD-O 3.29Å; P41-S451 WeakPolarHBondContact CD-O 3.46Å; P41-S451 WeakPolarHBondContact CG-O 3.37Å; P41-S451 VanDerWaalsContact N-O 3.08Å; V447-S451 VanDerWaalsContact O-CB 3.24Å; V447-S451 WeakPolarHBondContact O-CB 3.27Å; V447-S451 PolarHBondContact O-N 2.95Å; V447-S451 PolarHBondContact O-OG 2.92Å; M448-S451 WeakPolarHBondContact CA-OG 3.38Å; M448-S451 PolarHBondContact O-OG 2.95Å; Q449-S451 PolarHBondContact O-N 2.93Å; S451-L453 PolarHBondContact O-N 3.19Å; S451-L453 VanDerWaalsContact O-N 3.13Å; S451-L453 WeakPolarHBondContact OG-CB 3.41Å; S451-L453 PolarHBondContact OG-N 3.02Å |
| 452 | S | 91.9 | Very high | 92.1 | Very high | 55 Ų | 55 | 28.8 Ų | 28.8 | 39% | 0.385 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 12.1 | -168.1 | -52.4 | 0 | 0 | 0 | 0 | 114.3 | Q449 A450 T454 N455 V456 | Q449-S452 PolarHBondContact O-N 3.43Å; A450-S452 VanDerWaalsContact C-N 3.29Å; S452-T454 PolarHBondContact O-N 3.15Å; S452-N455 PolarHBondContact O-N 3.06Å; S452-N455 VanDerWaalsContact O-N 3.15Å; S452-V456 PolarHBondContact O-N 3.29Å |
| 453 | L | 92.9 | Very high | 92 | Very high | 16 Ų | 16 | 35.2 Ų | 35.2 | 8% | 0.084 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.2 | -39.5 | 176.9 | 177 | 66.3 | 0 | 0 | 0 | 111.2 | L48 M448 S451 N455 V456 I457 | L48-L453 HydrophobicContact CB-CD2 4.34Å; L48-L453 HydrophobicContact CD2-CD2 3.9Å; M448-L453 HydrophobicContact CE-CD2 4.22Å; M448-L453 HydrophobicContact CG-CD2 4.18Å; M448-L453 PolarHBondContact O-N 3.33Å; M448-L453 VanDerWaalsContact O-N 3.14Å; S451-L453 PolarHBondContact O-N 3.19Å; S451-L453 VanDerWaalsContact O-N 3.13Å; S451-L453 WeakPolarHBondContact OG-CB 3.41Å; S451-L453 PolarHBondContact OG-N 3.02Å; L453-N455 PolarHBondContact O-N 3.34Å; L453-V456 PolarHBondContact O-N 2.85Å; L453-I457 HydrophobicContact CD1-CD1 3.88Å; L453-I457 HydrophobicContact CD1-CG1 4.03Å; L453-I457 HydrophobicContact CD2-CD1 4.11Å; L453-I457 HydrophobicContact CG-CD1 3.67Å; L453-I457 HydrophobicContact CG-CG1 4.2Å; L453-I457 WeakPolarHBondContact O-CG1 3.42Å; L453-I457 PolarHBondContact O-N 2.87Å |
| 454 | T | 89.5 | Confident | 91.8 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.9 | -36.7 | 179.6 | -45 | 0 | 0 | 0 | 0 | 111.7 | R262 M448 S452 G458 | R262-T454 VanDerWaalsContact NH2-CG2 3.34Å; M448-T454 PolarHBondContact O-N 2.9Å; M448-T454 VanDerWaalsContact O-N 3.15Å; M448-T454 PolarHBondContact O-OG1 3.16Å; M448-T454 VanDerWaalsContact O-OG1 3.06Å; S452-T454 PolarHBondContact O-N 3.15Å; T454-G458 PolarHBondContact O-N 3.47Å |
| 455 | N | 89.6 | Confident | 91.7 | Very high | 62 Ų | 62 | 42.1 Ų | 42.1 | 33% | 0.332 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72.6 | -40.5 | 179.4 | -61.3 | 8.6 | 0 | 0 | 0 | 111 | S452 L453 G458 A459 | S452-N455 PolarHBondContact O-N 3.06Å; S452-N455 VanDerWaalsContact O-N 3.15Å; L453-N455 PolarHBondContact O-N 3.34Å; N455-G458 PolarHBondContact O-N 3.19Å; N455-A459 VanDerWaalsContact O-CB 3.31Å; N455-A459 WeakPolarHBondContact O-CB 3.45Å; N455-A459 PolarHBondContact O-N 3.06Å |
| 456 | V | 91.6 | Very high | 91.5 | Very high | 79 Ų | 79 | 49.3 Ų | 49.3 | 48% | 0.479 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 175.6 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | P41 S452 L453 G458 Y460 | P41-V456 HydrophobicContact CB-CG2 4Å; P41-V456 HydrophobicContact CG-CG2 3.96Å; S452-V456 PolarHBondContact O-N 3.29Å; L453-V456 PolarHBondContact O-N 2.85Å; V456-G458 VanDerWaalsContact C-N 3.35Å; V456-Y460 WeakPolarHBondContact O-CB 3.17Å; V456-Y460 PolarHBondContact O-N 3.31Å |
| 457 | I | 90 | Very high | 91.3 | Very high | 35 Ų | 35 | 58.3 Ų | 58.3 | 18% | 0.179 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 176.2 | -67.6 | 174.4 | 0 | 0 | 0 | 110.2 | L48 M448 L453 Y460 L461 I500 | L48-I457 HydrophobicContact CD2-CD1 4.47Å; M448-I457 HydrophobicContact CE-CD1 4.34Å; L453-I457 HydrophobicContact CD1-CD1 3.88Å; L453-I457 HydrophobicContact CD1-CG1 4.03Å; L453-I457 HydrophobicContact CD2-CD1 4.11Å; L453-I457 HydrophobicContact CG-CD1 3.67Å; L453-I457 HydrophobicContact CG-CG1 4.2Å; L453-I457 WeakPolarHBondContact O-CG1 3.42Å; L453-I457 PolarHBondContact O-N 2.87Å; I457-Y460 PolarHBondContact O-N 3.19Å; I457-L461 HydrophobicContact CG2-CD1 3.58Å; I457-L461 HydrophobicContact CG2-CG 4.12Å; I457-L461 WeakPolarHBondContact O-CB 3.2Å; I457-L461 VanDerWaalsContact O-CG 3.29Å; I457-L461 WeakPolarHBondContact O-CG 3.49Å; I457-L461 PolarHBondContact O-N 2.83Å; I457-I500 HydrophobicContact CG2-CG2 4.02Å |
| 458 | G | 88.7 | Confident | 91.1 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.4 | -44.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T454 N455 V456 G462 G503 | T454-G458 PolarHBondContact O-N 3.47Å; N455-G458 PolarHBondContact O-N 3.19Å; V456-G458 VanDerWaalsContact C-N 3.35Å; G458-G462 WeakPolarHBondContact O-CA 3.42Å; G458-G462 PolarHBondContact O-N 3.45Å; G458-G503 VanDerWaalsContact CA-C 3.47Å; G458-G503 WeakPolarHBondContact CA-O 3.24Å |
| 459 | A | 90.8 | Very high | 91.1 | Very high | 61 Ų | 61 | 65.9 Ų | 65.9 | 50% | 0.504 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.5 | -48.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | N455 G462 E463 | N455-A459 VanDerWaalsContact O-CB 3.31Å; N455-A459 WeakPolarHBondContact O-CB 3.45Å; N455-A459 PolarHBondContact O-N 3.06Å; A459-G462 PolarHBondContact O-N 2.88Å; A459-E463 WeakPolarHBondContact O-CB 3.44Å; A459-E463 PolarHBondContact O-N 2.85Å |
| 460 | Y | 92.2 | Very high | 91 | Very high | 141 Ų | 141 | 66.3 Ų | 66.3 | 55% | 0.553 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.9 | -50.7 | -179.7 | -177.9 | -94.3 | 0 | 0 | 0 | 112.1 | V456 I457 H464 | V456-Y460 WeakPolarHBondContact O-CB 3.17Å; V456-Y460 PolarHBondContact O-N 3.31Å; I457-Y460 PolarHBondContact O-N 3.19Å; Y460-H464 AromaticContact CD2-CE1 3.81Å; Y460-H464 AromaticContact CD2-ND1 3.99Å; Y460-H464 AromaticContact CE2-CE1 3.48Å; Y460-H464 VanDerWaalsContact CE2-CE1 3.48Å; Y460-H464 WeakPolarHBondContact CE2-CE1 3.5Å; Y460-H464 AromaticContact CE2-ND1 3.92Å; Y460-H464 AromaticContact CZ-CE1 3.86Å; Y460-H464 PolarHBondContact O-N 2.83Å; Y460-H464 PolarHBondContact O-ND1 3.33Å |
| 461 | L | 91.9 | Very high | 90.9 | Very high | 45 Ų | 45 | 68.3 Ų | 68.3 | 24% | 0.236 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69 | -37.9 | 178.6 | -64.2 | 178.5 | 0 | 0 | 0 | 111.5 | I457 H464 L465 I500 L504 | I457-L461 HydrophobicContact CG2-CD1 3.58Å; I457-L461 HydrophobicContact CG2-CG 4.12Å; I457-L461 WeakPolarHBondContact O-CB 3.2Å; I457-L461 VanDerWaalsContact O-CG 3.29Å; I457-L461 WeakPolarHBondContact O-CG 3.49Å; I457-L461 PolarHBondContact O-N 2.83Å; L461-H464 PolarHBondContact O-N 3.48Å; L461-L465 HydrophobicContact CB-CD1 4.16Å; L461-L465 HydrophobicContact CD2-CD1 4.34Å; L461-L465 WeakPolarHBondContact O-CB 3.42Å; L461-L465 WeakPolarHBondContact O-CG 3.26Å; L461-L465 PolarHBondContact O-N 2.93Å; L461-I500 HydrophobicContact CD1-CG2 3.94Å; L461-L504 HydrophobicContact CB-CD1 3.85Å; L461-L504 HydrophobicContact CD1-CB 4.49Å |
| 462 | G | 89 | Confident | 90.8 | Very high | 5 Ų | 5 | 73.2 Ų | 73.2 | 5% | 0.052 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G458 A459 K466 | G458-G462 WeakPolarHBondContact O-CA 3.42Å; G458-G462 PolarHBondContact O-N 3.45Å; A459-G462 PolarHBondContact O-N 2.88Å; G462-K466 VanDerWaalsContact O-CB 3.3Å; G462-K466 WeakPolarHBondContact O-CB 3.38Å; G462-K466 PolarHBondContact O-N 3.23Å; G462-K466 VanDerWaalsContact O-N 3.09Å |
| 463 | E | 90.8 | Very high | 91 | Very high | 137 Ų | 137 | 70.9 Ų | 70.9 | 64% | 0.64 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -60.7 | -47.1 | 177.1 | -175.5 | 179 | -178.4 | 0 | 0 | 112.2 | A459 | A459-E463 WeakPolarHBondContact O-CB 3.44Å; A459-E463 PolarHBondContact O-N 2.85Å |
| 464 | H | 91.8 | Very high | 91.1 | Very high | 103 Ų | 103 | 70.4 Ų | 70.4 | 48% | 0.477 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -81 | -25.3 | -174.2 | -69.1 | 80.3 | 0 | 0 | 0 | 113.8 | Y460 L461 | Y460-H464 AromaticContact CD2-CE1 3.81Å; Y460-H464 AromaticContact CD2-ND1 3.99Å; Y460-H464 AromaticContact CE2-CE1 3.48Å; Y460-H464 VanDerWaalsContact CE2-CE1 3.48Å; Y460-H464 WeakPolarHBondContact CE2-CE1 3.5Å; Y460-H464 AromaticContact CE2-ND1 3.92Å; Y460-H464 AromaticContact CZ-CE1 3.86Å; Y460-H464 PolarHBondContact O-N 2.83Å; Y460-H464 PolarHBondContact O-ND1 3.33Å; L461-H464 PolarHBondContact O-N 3.48Å |
| 465 | L | 91.5 | Very high | 91.4 | Very high | 42 Ų | 42 | 72.4 Ų | 72.4 | 22% | 0.22 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -103.9 | -2.1 | -176.1 | -53 | 178.3 | 0 | 0 | 0 | 113.3 | L461 Y467 I468 L473 L504 | L461-L465 HydrophobicContact CB-CD1 4.16Å; L461-L465 HydrophobicContact CD2-CD1 4.34Å; L461-L465 WeakPolarHBondContact O-CB 3.42Å; L461-L465 WeakPolarHBondContact O-CG 3.26Å; L461-L465 PolarHBondContact O-N 2.93Å; L465-Y467 PolarHBondContact O-N 3.15Å; L465-Y467 VanDerWaalsContact O-N 3.15Å; L465-I468 HydrophobicContact CB-CD1 4.33Å; L465-I468 HydrophobicContact CD2-CD1 3.52Å; L465-I468 PolarHBondContact O-N 2.63Å; L465-I468 VanDerWaalsContact O-N 3.07Å; L465-L473 HydrophobicContact CB-CD1 4.41Å; L465-L473 HydrophobicContact CD1-CD1 3.91Å; L465-L504 HydrophobicContact CD1-CD1 4.04Å; L465-L504 HydrophobicContact CD1-CD2 4.35Å |
| 466 | K | 88 | Confident | 91.6 | Very high | 151 Ų | 151 | 73.5 Ų | 73.5 | 66% | 0.657 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -34.1 | -179.2 | -171.5 | 173.9 | 179.7 | 179.7 | 0 | 114.3 | G462 L508 | G462-K466 VanDerWaalsContact O-CB 3.3Å; G462-K466 WeakPolarHBondContact O-CB 3.38Å; G462-K466 PolarHBondContact O-N 3.23Å; G462-K466 VanDerWaalsContact O-N 3.09Å; K466-L508 HydrophobicContact CB-CD2 4.24Å |
| 467 | Y | 89.7 | Confident | 91.8 | Very high | 201 Ų | 201 | 70.7 Ų | 70.7 | 79% | 0.788 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -8.5 | -176.3 | -56.4 | -72.6 | 0 | 0 | 0 | 113.6 | L465 | L465-Y467 PolarHBondContact O-N 3.15Å; L465-Y467 VanDerWaalsContact O-N 3.15Å |
| 468 | I | 91.4 | Very high | 92.1 | Very high | 72 Ų | 72 | 69.1 Ų | 69.1 | 37% | 0.369 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -79.4 | 131.7 | -179.7 | -58.6 | -177.4 | 0 | 0 | 0 | 108.9 | L465 F470 M472 L473 | L465-I468 HydrophobicContact CB-CD1 4.33Å; L465-I468 HydrophobicContact CD2-CD1 3.52Å; L465-I468 PolarHBondContact O-N 2.63Å; L465-I468 VanDerWaalsContact O-N 3.07Å; I468-F470 PolarHBondContact O-N 2.81Å; I468-M472 HydrophobicContact CG2-CB 3.98Å; I468-L473 HydrophobicContact CG2-CB 4.45Å |
| 469 | P | 92.3 | Very high | 92.4 | Very high | 87 Ų | 87 | 72.3 Ų | 72.3 | 57% | 0.565 | 36% | 0.364 | S | S | * | . | trans | -54.1 | 132.1 | 173.7 | -25.7 | 34.1 | 0 | 0 | 0 | 111.3 | T471 M472 L473 | P469-T471 PolarHBondContact O-N 2.56Å; P469-T471 VanDerWaalsContact O-N 3.11Å; P469-M472 HydrophobicContact CB-CG 4.26Å; P469-M472 WeakPolarHBondContact O-CA 3.36Å; P469-M472 WeakPolarHBondContact O-CB 3.4Å; P469-M472 PolarHBondContact O-N 3.01Å; P469-L473 PolarHBondContact O-N 3.06Å | ||
| 470 | F | 89.3 | Confident | 92.5 | Very high | 60 Ų | 60 | 73.5 Ų | 73.5 | 26% | 0.263 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58 | -33.5 | -172 | -171 | -92.4 | 0 | 0 | 0 | 113.6 | I468 L473 S474 V510 L514 L515 | I468-F470 PolarHBondContact O-N 2.81Å; F470-L473 HydrophobicContact CD2-CD2 4.33Å; F470-L473 HydrophobicContact CE2-CD2 4.4Å; F470-L473 WeakPolarHBondContact O-CB 3.4Å; F470-L473 PolarHBondContact O-N 2.92Å; F470-S474 WeakPolarHBondContact O-CB 3.39Å; F470-S474 PolarHBondContact O-N 3.1Å; F470-V510 HydrophobicContact CE2-CB 4.39Å; F470-V510 HydrophobicContact CE2-CG2 3.88Å; F470-L514 HydrophobicContact CE1-CB 3.57Å; F470-L514 HydrophobicContact CE1-CD1 3.98Å; F470-L514 HydrophobicContact CE1-CD2 4.38Å; F470-L514 HydrophobicContact CE1-CG 4.2Å; F470-L514 HydrophobicContact CZ-CB 3.37Å; F470-L514 HydrophobicContact CZ-CD1 3.87Å; F470-L514 HydrophobicContact CZ-CG 4.22Å; F470-L515 HydrophobicContact CE1-CD2 4.2Å; F470-L515 HydrophobicContact CE2-CD1 4.35Å; F470-L515 HydrophobicContact CE2-CD2 4.12Å; F470-L515 HydrophobicContact CE2-CG 4.08Å; F470-L515 HydrophobicContact CZ-CD1 4.48Å; F470-L515 HydrophobicContact CZ-CD2 3.65Å; F470-L515 HydrophobicContact CZ-CG 3.73Å |
| 471 | T | 91 | Very high | 92.6 | Very high | 80 Ų | 80 | 66.8 Ų | 66.8 | 49% | 0.491 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 173.6 | -53.3 | 0 | 0 | 0 | 0 | 112.2 | P469 S474 I475 | P469-T471 PolarHBondContact O-N 2.56Å; P469-T471 VanDerWaalsContact O-N 3.11Å; T471-S474 PolarHBondContact O-N 2.89Å; T471-I475 HydrophobicContact CG2-CD1 4.2Å; T471-I475 VanDerWaalsContact O-CG1 3.31Å; T471-I475 WeakPolarHBondContact O-CG1 3.35Å; T471-I475 PolarHBondContact O-N 3.47Å |
| 472 | M | 93.7 | Very high | 92.7 | Very high | 103 Ų | 103 | 65.1 Ų | 65.1 | 51% | 0.507 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 176.9 | -65.9 | -61 | 151.5 | 0 | 0 | 110.9 | I468 P469 S474 I475 V476 | I468-M472 HydrophobicContact CG2-CB 3.98Å; P469-M472 HydrophobicContact CB-CG 4.26Å; P469-M472 WeakPolarHBondContact O-CA 3.36Å; P469-M472 WeakPolarHBondContact O-CB 3.4Å; P469-M472 PolarHBondContact O-N 3.01Å; M472-S474 VanDerWaalsContact C-N 3.33Å; M472-S474 PolarHBondContact O-N 2.97Å; M472-I475 PolarHBondContact O-N 3.44Å; M472-I475 HydrophobicContact SD-CD1 4.24Å; M472-V476 WeakPolarHBondContact O-CG2 3.38Å; M472-V476 PolarHBondContact O-N 2.99Å |
| 473 | L | 94.2 | Very high | 92.9 | Very high | 6 Ų | 6 | 67.6 Ų | 67.6 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.4 | -46.3 | 173.4 | -175.3 | 63.6 | 0 | 0 | 0 | 111.4 | L465 I468 P469 F470 I475 V476 C477 L504 L508 L515 | L465-L473 HydrophobicContact CB-CD1 4.41Å; L465-L473 HydrophobicContact CD1-CD1 3.91Å; I468-L473 HydrophobicContact CG2-CB 4.45Å; P469-L473 PolarHBondContact O-N 3.06Å; F470-L473 HydrophobicContact CD2-CD2 4.33Å; F470-L473 HydrophobicContact CE2-CD2 4.4Å; F470-L473 WeakPolarHBondContact O-CB 3.4Å; F470-L473 PolarHBondContact O-N 2.92Å; L473-I475 PolarHBondContact O-N 2.64Å; L473-V476 PolarHBondContact O-N 2.86Å; L473-C477 WeakPolarHBondContact O-CB 3.47Å; L473-C477 PolarHBondContact O-N 2.96Å; L473-C477 PolarHBondContact O-SG 2.97Å; L473-L504 HydrophobicContact CD1-CD2 4.21Å; L473-L504 HydrophobicContact CD2-CD2 4.3Å; L473-L508 HydrophobicContact CD2-CD1 3.44Å; L473-L508 VanDerWaalsContact CD2-CD1 3.44Å; L473-L515 HydrophobicContact CD2-CD1 3.98Å; L473-L515 HydrophobicContact CG-CD1 4.2Å; L473-L515 HydrophobicContact CG-CD2 4.48Å |
| 474 | S | 95.5 | Very high | 92.8 | Very high | 5 Ų | 5 | 63.4 Ų | 63.4 | 4% | 0.035 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 176.4 | -168.6 | 0 | 0 | 0 | 0 | 112.7 | F470 T471 M472 T478 | F470-S474 WeakPolarHBondContact O-CB 3.39Å; F470-S474 PolarHBondContact O-N 3.1Å; T471-S474 PolarHBondContact O-N 2.89Å; M472-S474 VanDerWaalsContact C-N 3.33Å; M472-S474 PolarHBondContact O-N 2.97Å; S474-T478 WeakPolarHBondContact O-CB 3.41Å; S474-T478 PolarHBondContact O-N 2.8Å; S474-T478 PolarHBondContact O-OG1 3.02Å |
| 475 | I | 95.7 | Very high | 92.8 | Very high | 43 Ų | 43 | 58.5 Ų | 58.5 | 22% | 0.221 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.2 | -50.7 | 175.5 | -68.4 | 165.8 | 0 | 0 | 0 | 111 | T471 M472 L473 T478 L479 I566 | T471-I475 HydrophobicContact CG2-CD1 4.2Å; T471-I475 VanDerWaalsContact O-CG1 3.31Å; T471-I475 WeakPolarHBondContact O-CG1 3.35Å; T471-I475 PolarHBondContact O-N 3.47Å; M472-I475 PolarHBondContact O-N 3.44Å; M472-I475 HydrophobicContact SD-CD1 4.24Å; L473-I475 PolarHBondContact O-N 2.64Å; I475-T478 PolarHBondContact O-N 2.64Å; I475-L479 HydrophobicContact CG2-CD1 3.65Å; I475-L479 HydrophobicContact CG2-CG 4.24Å; I475-L479 WeakPolarHBondContact O-CB 3.34Å; I475-L479 VanDerWaalsContact O-CG 3.29Å; I475-L479 WeakPolarHBondContact O-CG 3.22Å; I475-L479 PolarHBondContact O-N 3.12Å; I475-I566 HydrophobicContact CB-CD1 4.29Å; I475-I566 HydrophobicContact CG1-CD1 3.75Å |
| 476 | V | 94.4 | Very high | 92.8 | Very high | 86 Ų | 86 | 57.1 Ų | 57.1 | 52% | 0.521 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.5 | -51.4 | -178.3 | 172.5 | 0 | 0 | 0 | 0 | 110.6 | M472 L473 T478 L479 T480 | M472-V476 WeakPolarHBondContact O-CG2 3.38Å; M472-V476 PolarHBondContact O-N 2.99Å; L473-V476 PolarHBondContact O-N 2.86Å; V476-T478 VanDerWaalsContact C-N 3.31Å; V476-T478 PolarHBondContact O-N 3.23Å; V476-L479 PolarHBondContact O-N 2.7Å; V476-T480 WeakPolarHBondContact O-CB 3.31Å; V476-T480 PolarHBondContact O-N 2.67Å; V476-T480 PolarHBondContact O-OG1 2.84Å |
| 477 | C | 95.5 | Very high | 92.6 | Very high | 20 Ų | 20 | 57.1 Ų | 57.1 | 14% | 0.135 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.9 | -42.9 | 179.8 | -69 | 0 | 0 | 0 | 0 | 112.3 | L473 A481 I501 V519 | L473-C477 WeakPolarHBondContact O-CB 3.47Å; L473-C477 PolarHBondContact O-N 2.96Å; L473-C477 PolarHBondContact O-SG 2.97Å; C477-A481 VanDerWaalsContact O-CB 3.24Å; C477-A481 WeakPolarHBondContact O-CB 3.33Å; C477-A481 PolarHBondContact O-N 2.85Å; C477-I501 HydrophobicContact CB-CD1 3.84Å; C477-V519 HydrophobicContact CB-CG2 3.97Å |
| 478 | T | 96.9 | Very high | 92.5 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.5 | -44.7 | -178.6 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | S474 I475 V476 A481 G482 P518 A522 I566 | S474-T478 WeakPolarHBondContact O-CB 3.41Å; S474-T478 PolarHBondContact O-N 2.8Å; S474-T478 PolarHBondContact O-OG1 3.02Å; I475-T478 PolarHBondContact O-N 2.64Å; V476-T478 VanDerWaalsContact C-N 3.31Å; V476-T478 PolarHBondContact O-N 3.23Å; T478-A481 PolarHBondContact O-N 3.22Å; T478-G482 PolarHBondContact O-N 3.41Å; T478-P518 HydrophobicContact CG2-CB 4.18Å; T478-P518 WeakPolarHBondContact OG1-CB 3.06Å; T478-A522 HydrophobicContact CG2-CB 3.55Å; T478-A522 WeakPolarHBondContact O-CB 3.33Å; T478-I566 HydrophobicContact CG2-CD1 4.3Å; T478-I566 HydrophobicContact CG2-CG1 4.41Å |
| 479 | L | 94.2 | Very high | 92.4 | Very high | 70 Ų | 70 | 45.1 Ų | 45.1 | 37% | 0.366 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -68.6 | -41.1 | 178.8 | -69.6 | 179 | 0 | 0 | 0 | 112 | I475 V476 A481 G482 A483 | I475-L479 HydrophobicContact CG2-CD1 3.65Å; I475-L479 HydrophobicContact CG2-CG 4.24Å; I475-L479 WeakPolarHBondContact O-CB 3.34Å; I475-L479 VanDerWaalsContact O-CG 3.29Å; I475-L479 WeakPolarHBondContact O-CG 3.22Å; I475-L479 PolarHBondContact O-N 3.12Å; V476-L479 PolarHBondContact O-N 2.7Å; L479-A481 VanDerWaalsContact C-N 3.32Å; L479-A481 PolarHBondContact O-N 3.39Å; L479-G482 PolarHBondContact O-N 2.94Å; L479-A483 VanDerWaalsContact O-CB 3.28Å; L479-A483 WeakPolarHBondContact O-CB 3.34Å; L479-A483 PolarHBondContact O-N 3.43Å |
| 480 | T | 92.6 | Very high | 92.4 | Very high | 86 Ų | 86 | 41.8 Ų | 41.8 | 53% | 0.528 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 174.7 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | V476 A483 M484 | V476-T480 WeakPolarHBondContact O-CB 3.31Å; V476-T480 PolarHBondContact O-N 2.67Å; V476-T480 PolarHBondContact O-OG1 2.84Å; T480-A483 PolarHBondContact O-N 3.38Å; T480-M484 VanDerWaalsContact O-CB 3.31Å; T480-M484 WeakPolarHBondContact O-CB 3.29Å; T480-M484 PolarHBondContact O-N 3.09Å |
| 481 | A | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -45.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | C477 T478 L479 M484 T485 I497 V519 T523 | C477-A481 VanDerWaalsContact O-CB 3.24Å; C477-A481 WeakPolarHBondContact O-CB 3.33Å; C477-A481 PolarHBondContact O-N 2.85Å; T478-A481 PolarHBondContact O-N 3.22Å; L479-A481 VanDerWaalsContact C-N 3.32Å; L479-A481 PolarHBondContact O-N 3.39Å; A481-M484 PolarHBondContact O-N 2.79Å; A481-T485 PolarHBondContact O-N 2.87Å; A481-T485 VanDerWaalsContact O-N 3.16Å; A481-T485 PolarHBondContact O-OG1 3.38Å; A481-I497 HydrophobicContact CB-CD1 3.69Å; A481-I497 HydrophobicContact CB-CG2 4.42Å; A481-V519 HydrophobicContact CB-CB 4.47Å; A481-V519 HydrophobicContact CB-CG1 3.86Å; A481-V519 HydrophobicContact CB-CG2 4.44Å; A481-T523 HydrophobicContact CB-CG2 4.01Å |
| 482 | G | 94.4 | Very high | 92.5 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 9% | 0.093 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T478 L479 T485 E486 | T478-G482 PolarHBondContact O-N 3.41Å; L479-G482 PolarHBondContact O-N 2.94Å; G482-T485 PolarHBondContact O-N 3.44Å; G482-E486 PolarHBondContact O-N 3.33Å |
| 483 | A | 92.2 | Very high | 92.5 | Very high | 57 Ų | 57 | 30.8 Ų | 30.8 | 47% | 0.471 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L479 T480 T485 E486 | L479-A483 VanDerWaalsContact O-CB 3.28Å; L479-A483 WeakPolarHBondContact O-CB 3.34Å; L479-A483 PolarHBondContact O-N 3.43Å; T480-A483 PolarHBondContact O-N 3.38Å; A483-T485 PolarHBondContact O-N 2.9Å; A483-E486 PolarHBondContact O-N 3.4Å |
| 484 | M | 89.2 | Confident | 92.5 | Very high | 50 Ų | 50 | 30.5 Ų | 30.5 | 25% | 0.246 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.5 | -34.3 | 176.6 | 179.3 | 175.7 | 160.8 | 0 | 0 | 111.7 | T480 A481 E486 F487 A488 I496 I497 | T480-M484 VanDerWaalsContact O-CB 3.31Å; T480-M484 WeakPolarHBondContact O-CB 3.29Å; T480-M484 PolarHBondContact O-N 3.09Å; A481-M484 PolarHBondContact O-N 2.79Å; M484-E486 VanDerWaalsContact C-N 3.28Å; M484-E486 PolarHBondContact O-N 2.93Å; M484-F487 PolarHBondContact O-N 2.8Å; M484-A488 PolarHBondContact O-N 3Å; M484-I496 HydrophobicContact CE-CB 4.22Å; M484-I496 HydrophobicContact CE-CD1 3.54Å; M484-I496 HydrophobicContact CE-CG2 4.19Å; M484-I497 HydrophobicContact CB-CD1 4.48Å; M484-I497 HydrophobicContact SD-CD1 3.72Å; M484-I497 HydrophobicContact SD-CG1 3.91Å |
| 485 | T | 92.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -77 | -11.8 | -177.1 | -45.2 | 0 | 0 | 0 | 0 | 113.6 | A481 G482 A483 F487 A488 N490 A493 T523 S526 | A481-T485 PolarHBondContact O-N 2.87Å; A481-T485 VanDerWaalsContact O-N 3.16Å; A481-T485 PolarHBondContact O-OG1 3.38Å; G482-T485 PolarHBondContact O-N 3.44Å; A483-T485 PolarHBondContact O-N 2.9Å; T485-F487 PolarHBondContact O-N 3.15Å; T485-A488 CarbonylContact C-O 3.47Å; T485-A488 WeakPolarHBondContact CG2-O 3.42Å; T485-N490 VanDerWaalsContact CG2-CA 3.48Å; T485-N490 HydrophobicContact CG2-CB 4.17Å; T485-N490 WeakPolarHBondContact CG2-OD1 3.46Å; T485-A493 HydrophobicContact CG2-CB 3.97Å; T485-A493 VanDerWaalsContact OG1-CB 3.28Å; T485-A493 WeakPolarHBondContact OG1-CB 3.38Å; T485-T523 WeakPolarHBondContact CG2-O 3.5Å; T485-T523 WeakPolarHBondContact OG1-CA 3.44Å; T485-S526 WeakPolarHBondContact CB-OG 3.49Å; T485-S526 WeakPolarHBondContact CG2-OG 3.49Å |
| 486 | E | 91 | Very high | 92.3 | Very high | 13 Ų | 13 | 28.7 Ų | 28.7 | 6% | 0.061 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -23.1 | 170.4 | -71.2 | -69.9 | 170.6 | 0 | 0 | 112.2 | G482 A483 M484 S526 F527 S528 L529 A532 N558 | G482-E486 PolarHBondContact O-N 3.33Å; A483-E486 PolarHBondContact O-N 3.4Å; M484-E486 VanDerWaalsContact C-N 3.28Å; M484-E486 PolarHBondContact O-N 2.93Å; E486-S526 VanDerWaalsContact OE1-CA 3.25Å; E486-S526 WeakPolarHBondContact OE1-CA 3.14Å; E486-F527 PolarHBondContact OE1-N 3.04Å; E486-S528 VanDerWaalsContact CD-CB 3.49Å; E486-S528 VanDerWaalsContact OE1-CB 3.25Å; E486-S528 WeakPolarHBondContact OE1-CB 3.44Å; E486-S528 PolarHBondContact OE1-N 3.36Å; E486-S528 PolarHBondContact OE1-OG 3.44Å; E486-S528 VanDerWaalsContact OE1-OG 3.11Å; E486-S528 WeakPolarHBondContact OE2-CB 2.98Å; E486-S528 PolarHBondContact OE2-N 2.84Å; E486-L529 HydrophobicContact CB-CD1 4.08Å; E486-L529 HydrophobicContact CB-CG 4.49Å; E486-L529 WeakPolarHBondContact OE2-CB 3.23Å; E486-L529 PolarHBondContact OE2-N 3.01Å; E486-A532 VanDerWaalsContact OE2-CB 3.28Å; E486-A532 WeakPolarHBondContact OE2-CB 3.37Å; E486-N558 PolarHBondContact OE1-ND2 3.44Å |
| 487 | F | 84.7 | Confident | 92.3 | Very high | 151 Ų | 151 | 25.5 Ų | 25.5 | 66% | 0.662 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -6.5 | -177.6 | -59.2 | -79.3 | 0 | 0 | 0 | 114 | M484 T485 L529 | M484-F487 PolarHBondContact O-N 2.8Å; T485-F487 PolarHBondContact O-N 3.15Å; F487-L529 HydrophobicContact CD1-CD1 4.28Å; F487-L529 HydrophobicContact CE1-CD1 3.93Å; F487-L529 HydrophobicContact CZ-CD1 4.28Å |
| 488 | A | 86.4 | Confident | 92.2 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 3% | 0.025 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -139.5 | 147.7 | -178 | 0 | 0 | 0 | 0 | 0 | 109.8 | V56 M484 T485 N490 | V56-A488 HydrophobicContact CG2-CB 4.14Å; M484-A488 PolarHBondContact O-N 3Å; T485-A488 CarbonylContact C-O 3.47Å; T485-A488 WeakPolarHBondContact CG2-O 3.42Å; A488-N490 PolarHBondContact O-N 3.4Å |
| 489 | S | 89.5 | Confident | 92 | Very high | 17 Ų | 17 | 24.7 Ų | 24.7 | 12% | 0.119 | 14% | 0.139 | C | C | . | . | trans | -53.3 | 140.2 | 176.5 | 70.7 | 0 | 0 | 0 | 0 | 112.8 | S491 A492 A493 | S489-S491 PolarHBondContact O-N 2.93Å; S489-S491 VanDerWaalsContact O-N 3.12Å; S489-A492 WeakPolarHBondContact O-CB 3.43Å; S489-A492 PolarHBondContact O-N 3.05Å; S489-A492 VanDerWaalsContact OG-CB 3.24Å; S489-A492 WeakPolarHBondContact OG-CB 3.48Å; S489-A492 PolarHBondContact OG-N 3.27Å; S489-A493 PolarHBondContact O-N 3.48Å | ||
| 490 | N | 92.6 | Very high | 91.9 | Very high | 17 Ų | 17 | 23.5 Ų | 23.5 | 9% | 0.091 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -45.5 | -47.3 | 179.7 | -61.4 | 3.7 | 0 | 0 | 0 | 113.2 | P251 T485 A488 A493 A494 T523 S526 | P251-N490 HydrophobicContact CG-CB 3.78Å; T485-N490 VanDerWaalsContact CG2-CA 3.48Å; T485-N490 HydrophobicContact CG2-CB 4.17Å; T485-N490 WeakPolarHBondContact CG2-OD1 3.46Å; A488-N490 PolarHBondContact O-N 3.4Å; N490-A493 PolarHBondContact O-N 3.36Å; N490-A494 WeakPolarHBondContact O-CB 3.3Å; N490-A494 PolarHBondContact O-N 2.84Å; N490-T523 WeakPolarHBondContact CB-O 3.21Å; N490-T523 PolarHBondContact OD1-O 3.19Å; N490-S526 PolarHBondContact OD1-OG 2.84Å |
| 491 | S | 91.4 | Very high | 92 | Very high | 13 Ų | 13 | 19.8 Ų | 19.8 | 9% | 0.091 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.1 | -39.6 | -179.4 | -42 | 0 | 0 | 0 | 0 | 112.5 | P250 I254 S489 S495 | P250-S491 WeakPolarHBondContact CB-OG 3.45Å; P250-S491 WeakPolarHBondContact CG-OG 3.39Å; I254-S491 VanDerWaalsContact CD1-O 3.25Å; I254-S491 WeakPolarHBondContact CD1-O 3.29Å; S489-S491 PolarHBondContact O-N 2.93Å; S489-S491 VanDerWaalsContact O-N 3.12Å; S491-S495 WeakPolarHBondContact O-CB 3.27Å; S491-S495 PolarHBondContact O-N 2.64Å; S491-S495 PolarHBondContact O-OG 3.31Å |
| 492 | A | 91.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.5 | -46.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | W55 S489 A494 S495 I496 | W55-A492 HydrophobicContact CB-CB 3.57Å; W55-A492 HydrophobicContact CD2-CB 3.52Å; W55-A492 HydrophobicContact CE3-CB 3.76Å; W55-A492 HydrophobicContact CG-CB 3.48Å; W55-A492 VanDerWaalsContact CG-CB 3.48Å; S489-A492 WeakPolarHBondContact O-CB 3.43Å; S489-A492 PolarHBondContact O-N 3.05Å; S489-A492 VanDerWaalsContact OG-CB 3.24Å; S489-A492 WeakPolarHBondContact OG-CB 3.48Å; S489-A492 PolarHBondContact OG-N 3.27Å; A492-A494 VanDerWaalsContact C-N 3.35Å; A492-A494 PolarHBondContact O-N 3.36Å; A492-S495 WeakPolarHBondContact O-CB 3.49Å; A492-S495 PolarHBondContact O-N 2.95Å; A492-S495 VanDerWaalsContact O-N 3.16Å; A492-I496 WeakPolarHBondContact O-CD1 3.35Å; A492-I496 WeakPolarHBondContact O-CG1 3.47Å; A492-I496 PolarHBondContact O-N 3.25Å |
| 493 | A | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.8 | -47.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T485 S489 N490 S495 I496 I497 T523 | T485-A493 HydrophobicContact CG2-CB 3.97Å; T485-A493 VanDerWaalsContact OG1-CB 3.28Å; T485-A493 WeakPolarHBondContact OG1-CB 3.38Å; S489-A493 PolarHBondContact O-N 3.48Å; N490-A493 PolarHBondContact O-N 3.36Å; A493-S495 VanDerWaalsContact C-N 3.34Å; A493-S495 PolarHBondContact O-N 3.23Å; A493-I496 PolarHBondContact O-N 2.98Å; A493-I497 HydrophobicContact CB-CD1 4.32Å; A493-I497 WeakPolarHBondContact O-CB 3.49Å; A493-I497 WeakPolarHBondContact O-CD1 3.45Å; A493-I497 VanDerWaalsContact O-CG1 3.24Å; A493-I497 WeakPolarHBondContact O-CG1 3.37Å; A493-I497 PolarHBondContact O-N 2.65Å; A493-T523 HydrophobicContact CB-CG2 4.18Å |
| 494 | A | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.5 | -41.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | P251 I254 N490 A492 I496 L498 | P251-A494 HydrophobicContact CB-CB 3.78Å; P251-A494 HydrophobicContact CG-CB 4.13Å; I254-A494 HydrophobicContact CD1-CB 4.24Å; I254-A494 HydrophobicContact CG2-CB 4.4Å; N490-A494 WeakPolarHBondContact O-CB 3.3Å; N490-A494 PolarHBondContact O-N 2.84Å; A492-A494 VanDerWaalsContact C-N 3.35Å; A492-A494 PolarHBondContact O-N 3.36Å; A494-I496 VanDerWaalsContact C-N 3.29Å; A494-I496 PolarHBondContact O-N 3.08Å; A494-L498 HydrophobicContact CB-CD1 4.09Å; A494-L498 VanDerWaalsContact O-CB 3.24Å; A494-L498 WeakPolarHBondContact O-CB 3.28Å; A494-L498 WeakPolarHBondContact O-CD1 3.26Å; A494-L498 VanDerWaalsContact O-CG 3.31Å; A494-L498 WeakPolarHBondContact O-CG 3.48Å; A494-L498 PolarHBondContact O-N 3.17Å |
| 495 | S | 93.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.007 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.2 | -31.2 | 179.3 | -63.6 | 0 | 0 | 0 | 0 | 113.5 | I254 G441 S491 A492 A493 P499 | I254-S495 WeakPolarHBondContact CD1-OG 3.28Å; G441-S495 VanDerWaalsContact CA-OG 3.3Å; G441-S495 WeakPolarHBondContact CA-OG 3.43Å; S491-S495 WeakPolarHBondContact O-CB 3.27Å; S491-S495 PolarHBondContact O-N 2.64Å; S491-S495 PolarHBondContact O-OG 3.31Å; A492-S495 WeakPolarHBondContact O-CB 3.49Å; A492-S495 PolarHBondContact O-N 2.95Å; A492-S495 VanDerWaalsContact O-N 3.16Å; A493-S495 VanDerWaalsContact C-N 3.34Å; A493-S495 PolarHBondContact O-N 3.23Å; S495-P499 VanDerWaalsContact O-CD 3.23Å; S495-P499 WeakPolarHBondContact O-CD 3.27Å; S495-P499 WeakPolarHBondContact O-CG 3.3Å |
| 496 | I | 92.6 | Very high | 91.8 | Very high | 9 Ų | 9 | 15.3 Ų | 15.3 | 5% | 0.046 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -83.7 | -50.1 | 178.3 | -64.5 | 159.9 | 0 | 0 | 0 | 110.5 | L48 T52 W55 M484 A492 A493 A494 I500 | L48-I496 HydrophobicContact CD1-CG2 4.24Å; T52-I496 HydrophobicContact CG2-CD1 3.93Å; W55-I496 HydrophobicContact CE3-CD1 3.87Å; W55-I496 HydrophobicContact CE3-CG1 3.9Å; W55-I496 HydrophobicContact CZ3-CD1 4.4Å; W55-I496 HydrophobicContact CZ3-CG1 3.91Å; M484-I496 HydrophobicContact CE-CB 4.22Å; M484-I496 HydrophobicContact CE-CD1 3.54Å; M484-I496 HydrophobicContact CE-CG2 4.19Å; A492-I496 WeakPolarHBondContact O-CD1 3.35Å; A492-I496 WeakPolarHBondContact O-CG1 3.47Å; A492-I496 PolarHBondContact O-N 3.25Å; A493-I496 PolarHBondContact O-N 2.98Å; A494-I496 VanDerWaalsContact C-N 3.29Å; A494-I496 PolarHBondContact O-N 3.08Å; I496-I500 HydrophobicContact CG2-CD1 4.25Å; I496-I500 WeakPolarHBondContact O-CD1 3.36Å; I496-I500 WeakPolarHBondContact O-CG1 3.34Å |
| 497 | I | 94 | Very high | 91.6 | Very high | 19 Ų | 19 | 16.5 Ų | 16.5 | 10% | 0.097 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -75.5 | -40.5 | -168.1 | -62.5 | 165.5 | 0 | 0 | 0 | 111.1 | A481 M484 A493 I500 I501 V519 T523 | A481-I497 HydrophobicContact CB-CD1 3.69Å; A481-I497 HydrophobicContact CB-CG2 4.42Å; M484-I497 HydrophobicContact CB-CD1 4.48Å; M484-I497 HydrophobicContact SD-CD1 3.72Å; M484-I497 HydrophobicContact SD-CG1 3.91Å; A493-I497 HydrophobicContact CB-CD1 4.32Å; A493-I497 WeakPolarHBondContact O-CB 3.49Å; A493-I497 WeakPolarHBondContact O-CD1 3.45Å; A493-I497 VanDerWaalsContact O-CG1 3.24Å; A493-I497 WeakPolarHBondContact O-CG1 3.37Å; A493-I497 PolarHBondContact O-N 2.65Å; I497-I500 WeakPolarHBondContact O-CB 3.41Å; I497-I500 PolarHBondContact O-N 2.96Å; I497-I500 VanDerWaalsContact O-N 3.13Å; I497-I501 HydrophobicContact CG2-CD1 4.43Å; I497-I501 HydrophobicContact CG2-CG1 3.72Å; I497-I501 WeakPolarHBondContact O-CG1 3.33Å; I497-I501 PolarHBondContact O-N 3.24Å; I497-V519 HydrophobicContact CB-CG1 4.4Å; I497-V519 HydrophobicContact CG2-CG1 3.53Å; I497-T523 HydrophobicContact CD1-CG2 4.27Å |
| 498 | L | 94.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62 | -46.4 | -173.2 | -72.9 | 167.9 | 0 | 0 | 0 | 113.6 | I254 L255 A494 I500 I501 F502 A516 V519 T520 | I254-L498 HydrophobicContact CG2-CD1 4.01Å; L255-L498 HydrophobicContact CB-CD1 4Å; L255-L498 HydrophobicContact CD1-CD1 4.47Å; L255-L498 HydrophobicContact CD1-CD2 4Å; A494-L498 HydrophobicContact CB-CD1 4.09Å; A494-L498 VanDerWaalsContact O-CB 3.24Å; A494-L498 WeakPolarHBondContact O-CB 3.28Å; A494-L498 WeakPolarHBondContact O-CD1 3.26Å; A494-L498 VanDerWaalsContact O-CG 3.31Å; A494-L498 WeakPolarHBondContact O-CG 3.48Å; A494-L498 PolarHBondContact O-N 3.17Å; L498-I500 VanDerWaalsContact C-N 3.25Å; L498-I500 PolarHBondContact O-N 2.84Å; L498-I501 PolarHBondContact O-N 3.47Å; L498-F502 HydrophobicContact CB-CD2 4.42Å; L498-F502 HydrophobicContact CB-CE2 4.12Å; L498-F502 WeakPolarHBondContact O-CD2 3.27Å; L498-F502 WeakPolarHBondContact O-CG 3.37Å; L498-F502 PolarHBondContact O-N 3.42Å; L498-A516 HydrophobicContact CD2-CB 4.1Å; L498-V519 HydrophobicContact CD2-CG1 4.28Å; L498-T520 WeakPolarHBondContact CD2-OG1 3.29Å |
| 499 | P | 92.1 | Very high | 92 | Very high | 3 Ų | 3 | 14.6 Ų | 14.6 | 2% | 0.019 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -56.6 | -38.1 | 173.7 | -27.1 | 36.4 | 0 | 0 | 0 | 113.5 | A445 M448 S495 F502 G503 | A445-P499 HydrophobicContact CB-CG 4.06Å; M448-P499 HydrophobicContact CE-CB 3.77Å; M448-P499 HydrophobicContact SD-CB 3.7Å; M448-P499 HydrophobicContact SD-CG 4.18Å; S495-P499 VanDerWaalsContact O-CD 3.23Å; S495-P499 WeakPolarHBondContact O-CD 3.27Å; S495-P499 WeakPolarHBondContact O-CG 3.3Å; P499-F502 PolarHBondContact O-N 2.98Å; P499-G503 PolarHBondContact O-N 3.36Å |
| 500 | I | 92.5 | Very high | 92.1 | Very high | 46 Ų | 46 | 15.3 Ų | 15.3 | 24% | 0.236 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -66 | -45.2 | 177 | -63.1 | 170.1 | 0 | 0 | 0 | 110.4 | M448 I457 L461 I496 I497 L498 F502 G503 L504 | M448-I500 HydrophobicContact CE-CG1 4.27Å; I457-I500 HydrophobicContact CG2-CG2 4.02Å; L461-I500 HydrophobicContact CD1-CG2 3.94Å; I496-I500 HydrophobicContact CG2-CD1 4.25Å; I496-I500 WeakPolarHBondContact O-CD1 3.36Å; I496-I500 WeakPolarHBondContact O-CG1 3.34Å; I497-I500 WeakPolarHBondContact O-CB 3.41Å; I497-I500 PolarHBondContact O-N 2.96Å; I497-I500 VanDerWaalsContact O-N 3.13Å; L498-I500 VanDerWaalsContact C-N 3.25Å; L498-I500 PolarHBondContact O-N 2.84Å; I500-F502 VanDerWaalsContact C-N 3.35Å; I500-F502 PolarHBondContact O-N 3.17Å; I500-G503 PolarHBondContact O-N 2.86Å; I500-L504 WeakPolarHBondContact O-CB 3.29Å; I500-L504 PolarHBondContact O-N 3.48Å |
| 501 | I | 94.7 | Very high | 92.1 | Very high | 7 Ų | 7 | 14.8 Ų | 14.8 | 4% | 0.036 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 177.4 | -67.9 | -65.3 | 0 | 0 | 0 | 111.5 | C477 I497 L498 L504 C505 L515 A516 V519 | C477-I501 HydrophobicContact CB-CD1 3.84Å; I497-I501 HydrophobicContact CG2-CD1 4.43Å; I497-I501 HydrophobicContact CG2-CG1 3.72Å; I497-I501 WeakPolarHBondContact O-CG1 3.33Å; I497-I501 PolarHBondContact O-N 3.24Å; L498-I501 PolarHBondContact O-N 3.47Å; I501-L504 PolarHBondContact O-N 2.77Å; I501-C505 PolarHBondContact O-N 3.45Å; I501-C505 PolarHBondContact O-SG 2.73Å; I501-L515 HydrophobicContact CG2-CB 3.51Å; I501-A516 HydrophobicContact CG2-CB 4.32Å; I501-V519 HydrophobicContact CD1-CG2 4.19Å; I501-V519 HydrophobicContact CG1-CG1 4.34Å; I501-V519 HydrophobicContact CG1-CG2 4.23Å |
| 502 | F | 92.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 175.4 | -72.4 | -54.7 | 0 | 0 | 0 | 111.9 | L255 T258 T259 Y263 L498 P499 I500 L504 C505 E506 P512 A516 | L255-F502 HydrophobicContact CD1-CZ 3.95Å; T258-F502 HydrophobicContact CG2-CD2 3.58Å; T258-F502 HydrophobicContact CG2-CE2 3.44Å; T258-F502 VanDerWaalsContact CG2-CE2 3.44Å; T259-F502 WeakPolarHBondContact OG1-CZ 3.49Å; Y263-F502 AromaticContact CE2-CD1 3.69Å; Y263-F502 HydrophobicContact CE2-CD1 3.69Å; Y263-F502 AromaticContact CE2-CE1 3.84Å; Y263-F502 HydrophobicContact CE2-CE1 3.84Å; Y263-F502 HydrophobicContact CE2-CG 4.39Å; Y263-F502 WeakPolarHBondContact OH-CD1 3.49Å; L498-F502 HydrophobicContact CB-CD2 4.42Å; L498-F502 HydrophobicContact CB-CE2 4.12Å; L498-F502 WeakPolarHBondContact O-CD2 3.27Å; L498-F502 WeakPolarHBondContact O-CG 3.37Å; L498-F502 PolarHBondContact O-N 3.42Å; P499-F502 PolarHBondContact O-N 2.98Å; I500-F502 VanDerWaalsContact C-N 3.35Å; I500-F502 PolarHBondContact O-N 3.17Å; F502-L504 VanDerWaalsContact C-N 3.33Å; F502-L504 PolarHBondContact O-N 3.2Å; F502-C505 PolarHBondContact O-N 3.43Å; F502-E506 WeakPolarHBondContact O-CG 3.45Å; F502-E506 PolarHBondContact O-N 3.16Å; F502-E506 VanDerWaalsContact O-N 3.08Å; F502-P512 HydrophobicContact CD1-CB 3.61Å; F502-P512 HydrophobicContact CD1-CG 4.5Å; F502-P512 HydrophobicContact CE1-CB 3.81Å; F502-A516 HydrophobicContact CE1-CB 3.84Å; F502-A516 HydrophobicContact CZ-CB 4.01Å |
| 503 | G | 90.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -59.6 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G458 P499 I500 E506 G507 | G458-G503 VanDerWaalsContact CA-C 3.47Å; G458-G503 WeakPolarHBondContact CA-O 3.24Å; P499-G503 PolarHBondContact O-N 3.36Å; I500-G503 PolarHBondContact O-N 2.86Å; G503-E506 PolarHBondContact O-N 3.2Å; G503-G507 PolarHBondContact O-N 2.76Å |
| 504 | L | 92.8 | Very high | 92.6 | Very high | 4 Ų | 4 | 15 Ų | 15 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 174.3 | 169.7 | 60.7 | 0 | 0 | 0 | 112.3 | L461 L465 L473 I500 I501 F502 E506 G507 L508 L515 | L461-L504 HydrophobicContact CB-CD1 3.85Å; L461-L504 HydrophobicContact CD1-CB 4.49Å; L465-L504 HydrophobicContact CD1-CD1 4.04Å; L465-L504 HydrophobicContact CD1-CD2 4.35Å; L473-L504 HydrophobicContact CD1-CD2 4.21Å; L473-L504 HydrophobicContact CD2-CD2 4.3Å; I500-L504 WeakPolarHBondContact O-CB 3.29Å; I500-L504 PolarHBondContact O-N 3.48Å; I501-L504 PolarHBondContact O-N 2.77Å; F502-L504 VanDerWaalsContact C-N 3.33Å; F502-L504 PolarHBondContact O-N 3.2Å; L504-E506 VanDerWaalsContact C-N 3.26Å; L504-E506 PolarHBondContact O-N 3.27Å; L504-G507 PolarHBondContact O-N 3.39Å; L504-L508 HydrophobicContact CD1-CD1 3.69Å; L504-L508 HydrophobicContact CD1-CG 3.93Å; L504-L508 HydrophobicContact CG-CD1 4.14Å; L504-L508 WeakPolarHBondContact O-CG 3.4Å; L504-L508 PolarHBondContact O-N 3.14Å; L504-L515 HydrophobicContact CD2-CD1 3.88Å; L504-L515 HydrophobicContact CG-CD1 4.36Å |
| 505 | C | 92.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63 | -34.9 | -179.4 | -66.7 | 0 | 0 | 0 | 0 | 112.2 | I501 F502 V509 V510 P512 | I501-C505 PolarHBondContact O-N 3.45Å; I501-C505 PolarHBondContact O-SG 2.73Å; F502-C505 PolarHBondContact O-N 3.43Å; C505-V509 WeakPolarHBondContact O-CA 3.31Å; C505-V509 PolarHBondContact O-N 2.67Å; C505-V510 HydrophobicContact CB-CG2 4.04Å; C505-V510 PolarHBondContact O-N 3.43Å; C505-P512 HydrophobicContact CB-CB 3.98Å |
| 506 | E | 89.7 | Confident | 92.9 | Very high | 18 Ų | 18 | 14.9 Ų | 14.9 | 8% | 0.084 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -68.5 | -44.6 | 173.5 | -71.7 | 168.8 | 176 | 0 | 0 | 112.1 | R262 Y263 F502 G503 L504 L508 V509 L586 T590 | R262-E506 IonicContact CZ-OE1 3.24Å; R262-E506 VanDerWaalsContact CZ-OE1 3.24Å; R262-E506 IonicContact CZ-OE2 3.55Å; R262-E506 IonicContact NE-OE1 2.65Å; R262-E506 PolarHBondContact NE-OE1 2.75Å; R262-E506 IonicContact NE-OE2 3.69Å; R262-E506 IonicContact NH2-OE1 3.08Å; R262-E506 PolarHBondContact NH2-OE1 3.44Å; R262-E506 VanDerWaalsContact NH2-OE1 3.08Å; R262-E506 IonicContact NH2-OE2 2.64Å; R262-E506 PolarHBondContact NH2-OE2 3.32Å; Y263-E506 PolarHBondContact OH-OE1 3Å; F502-E506 WeakPolarHBondContact O-CG 3.45Å; F502-E506 PolarHBondContact O-N 3.16Å; F502-E506 VanDerWaalsContact O-N 3.08Å; G503-E506 PolarHBondContact O-N 3.2Å; L504-E506 VanDerWaalsContact C-N 3.26Å; L504-E506 PolarHBondContact O-N 3.27Å; E506-L508 PolarHBondContact O-N 2.98Å; E506-V509 PolarHBondContact O-N 2.96Å; E506-L586 HydrophobicContact CG-CD1 3.94Å; E506-T590 HydrophobicContact CB-CG2 4.27Å |
| 507 | G | 88.1 | Confident | 93.1 | Very high | 37 Ų | 37 | 14.5 Ų | 14.5 | 38% | 0.381 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -60.7 | -32 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | G503 L504 | G503-G507 PolarHBondContact O-N 2.76Å; L504-G507 PolarHBondContact O-N 3.39Å |
| 508 | L | 90.8 | Very high | 93.3 | Very high | 35 Ų | 35 | 13.6 Ų | 13.6 | 18% | 0.183 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -8.7 | 174 | -66 | 178.7 | 0 | 0 | 0 | 113.9 | K466 L473 L504 E506 V510 | K466-L508 HydrophobicContact CB-CD2 4.24Å; L473-L508 HydrophobicContact CD2-CD1 3.44Å; L473-L508 VanDerWaalsContact CD2-CD1 3.44Å; L504-L508 HydrophobicContact CD1-CD1 3.69Å; L504-L508 HydrophobicContact CD1-CG 3.93Å; L504-L508 HydrophobicContact CG-CD1 4.14Å; L504-L508 WeakPolarHBondContact O-CG 3.4Å; L504-L508 PolarHBondContact O-N 3.14Å; E506-L508 PolarHBondContact O-N 2.98Å; L508-V510 VanDerWaalsContact C-N 3.35Å; L508-V510 HydrophobicContact CB-CG1 4.21Å; L508-V510 HydrophobicContact CB-CG2 3.93Å; L508-V510 PolarHBondContact O-N 2.76Å |
| 509 | V | 88.6 | Confident | 93.4 | Very high | 79 Ų | 79 | 13.6 Ų | 13.6 | 48% | 0.479 | 8% | 0.084 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 50.2 | -174.7 | -163.6 | 0 | 0 | 0 | 0 | 111.7 | C505 E506 V582 | C505-V509 WeakPolarHBondContact O-CA 3.31Å; C505-V509 PolarHBondContact O-N 2.67Å; E506-V509 PolarHBondContact O-N 2.96Å; V509-V582 HydrophobicContact CG1-CG1 4.27Å; V509-V582 HydrophobicContact CG1-CG2 4.42Å; V509-V582 WeakPolarHBondContact O-CG2 3.3Å |
| 510 | V | 91.2 | Very high | 93.7 | Very high | 33 Ų | 33 | 13.5 Ų | 13.5 | 20% | 0.2 | 8% | 0.083 | C | C | . | . | trans | -122.1 | 157.9 | 179.1 | -64.8 | 0 | 0 | 0 | 0 | 111.2 | F470 C505 L508 P512 L586 | F470-V510 HydrophobicContact CE2-CB 4.39Å; F470-V510 HydrophobicContact CE2-CG2 3.88Å; C505-V510 HydrophobicContact CB-CG2 4.04Å; C505-V510 PolarHBondContact O-N 3.43Å; L508-V510 VanDerWaalsContact C-N 3.35Å; L508-V510 HydrophobicContact CB-CG1 4.21Å; L508-V510 HydrophobicContact CB-CG2 3.93Å; L508-V510 PolarHBondContact O-N 2.76Å; V510-P512 WeakPolarHBondContact O-CD 3.35Å; V510-L586 VanDerWaalsContact O-CD2 3.3Å; V510-L586 WeakPolarHBondContact O-CD2 3.35Å | ||
| 511 | H | 93.5 | Very high | 93.9 | Very high | 6 Ų | 6 | 11.3 Ų | 11.3 | 3% | 0.028 | 7% | 0.072 | C | C | . | . | trans | -61 | 120.5 | 179.1 | -167.8 | -55.7 | 0 | 0 | 0 | 110.8 | F513 L514 L579 W585 | H511-F513 VanDerWaalsContact C-N 3.34Å; H511-F513 AromaticContact CE1-CD2 3.35Å; H511-F513 WeakPolarHBondContact CE1-CD2 3.32Å; H511-F513 AromaticContact CE1-CE2 3.96Å; H511-F513 AromaticContact CE1-CG 3.54Å; H511-F513 AromaticContact ND1-CG 3.9Å; H511-F513 PolarHBondContact ND1-N 3.13Å; H511-F513 PolarHBondContact O-N 3.31Å; H511-L514 HydrophobicContact CB-CD1 3.98Å; H511-L514 HydrophobicContact CB-CG 4.18Å; H511-L514 VanDerWaalsContact O-CB 3.25Å; H511-L514 WeakPolarHBondContact O-CB 3.33Å; H511-L514 WeakPolarHBondContact O-CG 3.45Å; H511-L514 PolarHBondContact O-N 3.49Å; H511-L514 VanDerWaalsContact O-N 3.08Å; H511-L579 VanDerWaalsContact CE1-CD2 3.48Å; H511-L579 WeakPolarHBondContact CE1-CD2 3.42Å; H511-L579 WeakPolarHBondContact ND1-CD2 3.47Å; H511-W585 AromaticContact CE1-CH2 3.92Å; H511-W585 AromaticContact CE1-CZ2 3.85Å; H511-W585 AromaticContact NE2-CZ2 3.61Å | ||
| 512 | P | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -32 | -168.6 | 22.4 | -34.1 | 0 | 0 | 0 | 114.8 | Y263 F502 C505 V510 L514 L515 A516 W585 | Y263-P512 HydrophobicContact CE2-CB 4.32Å; Y263-P512 HydrophobicContact CE2-CG 3.9Å; F502-P512 HydrophobicContact CD1-CB 3.61Å; F502-P512 HydrophobicContact CD1-CG 4.5Å; F502-P512 HydrophobicContact CE1-CB 3.81Å; C505-P512 HydrophobicContact CB-CB 3.98Å; V510-P512 WeakPolarHBondContact O-CD 3.35Å; P512-L514 PolarHBondContact O-N 3.48Å; P512-L514 VanDerWaalsContact O-N 3.12Å; P512-L515 PolarHBondContact O-N 3.48Å; P512-L515 VanDerWaalsContact O-N 3.16Å; P512-A516 WeakPolarHBondContact O-CB 3.25Å; P512-A516 PolarHBondContact O-N 3.02Å; P512-W585 HydrophobicContact CG-CH2 3.6Å; P512-W585 HydrophobicContact CG-CZ3 3.82Å |
| 513 | F | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.4 | -18.6 | 176.6 | -61.1 | -13.1 | 0 | 0 | 0 | 114.2 | T259 L269 H511 L515 F517 F577 L579 | T259-F513 HydrophobicContact CG2-CE1 3.56Å; T259-F513 HydrophobicContact CG2-CZ 3.66Å; L269-F513 HydrophobicContact CB-CE2 4.18Å; L269-F513 HydrophobicContact CB-CZ 3.81Å; L269-F513 HydrophobicContact CD2-CE1 4.24Å; L269-F513 HydrophobicContact CD2-CZ 4.08Å; L269-F513 HydrophobicContact CG-CZ 4.47Å; H511-F513 VanDerWaalsContact C-N 3.34Å; H511-F513 AromaticContact CE1-CD2 3.35Å; H511-F513 WeakPolarHBondContact CE1-CD2 3.32Å; H511-F513 AromaticContact CE1-CE2 3.96Å; H511-F513 AromaticContact CE1-CG 3.54Å; H511-F513 AromaticContact ND1-CG 3.9Å; H511-F513 PolarHBondContact ND1-N 3.13Å; H511-F513 PolarHBondContact O-N 3.31Å; F513-L515 PolarHBondContact O-N 2.88Å; F513-F517 HydrophobicContact CB-CD1 3.86Å; F513-F517 HydrophobicContact CB-CD2 4.13Å; F513-F517 HydrophobicContact CB-CE1 3.7Å; F513-F517 HydrophobicContact CB-CE2 3.97Å; F513-F517 HydrophobicContact CB-CG 4.08Å; F513-F517 HydrophobicContact CB-CZ 3.76Å; F513-F517 HydrophobicContact CD1-CD1 4.05Å; F513-F517 AromaticContact CD1-CE1 3.46Å; F513-F517 HydrophobicContact CD1-CE1 3.46Å; F513-F517 VanDerWaalsContact CD1-CE1 3.46Å; F513-F517 HydrophobicContact CD1-CZ 4.01Å; F513-F517 AromaticContact CD2-CE1 3.72Å; F513-F517 HydrophobicContact CD2-CE1 3.72Å; F513-F517 HydrophobicContact CD2-CE2 4.06Å; F513-F517 AromaticContact CD2-CZ 3.34Å; F513-F517 HydrophobicContact CD2-CZ 3.34Å; F513-F517 AromaticContact CE1-CE1 3.98Å; F513-F517 HydrophobicContact CE1-CE1 3.98Å; F513-F517 HydrophobicContact CE1-CZ 4.48Å; F513-F517 HydrophobicContact CE2-CE1 4.24Å; F513-F517 AromaticContact CE2-CZ 3.92Å; F513-F517 HydrophobicContact CE2-CZ 3.92Å; F513-F517 AromaticContact CG-CD1 3.97Å; F513-F517 HydrophobicContact CG-CD1 3.97Å; F513-F517 AromaticContact CG-CE1 3.33Å; F513-F517 HydrophobicContact CG-CE1 3.33Å; F513-F517 HydrophobicContact CG-CE2 4.13Å; F513-F517 AromaticContact CG-CZ 3.43Å; F513-F517 HydrophobicContact CG-CZ 3.43Å; F513-F517 VanDerWaalsContact CG-CZ 3.43Å; F513-F517 HydrophobicContact CZ-CE1 4.36Å; F513-F517 HydrophobicContact CZ-CZ 4.45Å; F513-F517 WeakPolarHBondContact O-CB 3.35Å; F513-F517 PolarHBondContact O-N 2.89Å; F513-F577 HydrophobicContact CD2-CB 4.35Å; F513-F577 AromaticContact CD2-CD1 3.8Å; F513-F577 HydrophobicContact CD2-CD1 3.8Å; F513-F577 HydrophobicContact CD2-CE1 4.34Å; F513-F577 HydrophobicContact CD2-CG 4.14Å; F513-F577 AromaticContact CE2-CD1 3.78Å; F513-F577 HydrophobicContact CE2-CD1 3.78Å; F513-F577 HydrophobicContact CE2-CE1 4.13Å; F513-L579 HydrophobicContact CB-CD2 3.8Å; F513-L579 HydrophobicContact CD2-CD2 4.32Å |
| 514 | L | 95.3 | Very high | 94.4 | Very high | 16 Ų | 16 | 11.1 Ų | 11.1 | 8% | 0.084 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.8 | -31.8 | 175.3 | -71.8 | 169 | 0 | 0 | 0 | 113 | F470 H511 P512 V569 L579 | F470-L514 HydrophobicContact CE1-CB 3.57Å; F470-L514 HydrophobicContact CE1-CD1 3.98Å; F470-L514 HydrophobicContact CE1-CD2 4.38Å; F470-L514 HydrophobicContact CE1-CG 4.2Å; F470-L514 HydrophobicContact CZ-CB 3.37Å; F470-L514 HydrophobicContact CZ-CD1 3.87Å; F470-L514 HydrophobicContact CZ-CG 4.22Å; H511-L514 HydrophobicContact CB-CD1 3.98Å; H511-L514 HydrophobicContact CB-CG 4.18Å; H511-L514 VanDerWaalsContact O-CB 3.25Å; H511-L514 WeakPolarHBondContact O-CB 3.33Å; H511-L514 WeakPolarHBondContact O-CG 3.45Å; H511-L514 PolarHBondContact O-N 3.49Å; H511-L514 VanDerWaalsContact O-N 3.08Å; P512-L514 PolarHBondContact O-N 3.48Å; P512-L514 VanDerWaalsContact O-N 3.12Å; L514-V569 HydrophobicContact CD2-CG1 3.94Å; L514-L579 HydrophobicContact CD2-CB 3.84Å; L514-L579 HydrophobicContact CD2-CD1 4.1Å; L514-L579 HydrophobicContact CG-CB 4.28Å |
| 515 | L | 96.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -106.8 | -38.5 | 174.7 | -63.3 | -174.4 | 0 | 0 | 0 | 112.1 | F470 L473 I501 L504 P512 F513 F517 P518 V519 | F470-L515 HydrophobicContact CE1-CD2 4.2Å; F470-L515 HydrophobicContact CE2-CD1 4.35Å; F470-L515 HydrophobicContact CE2-CD2 4.12Å; F470-L515 HydrophobicContact CE2-CG 4.08Å; F470-L515 HydrophobicContact CZ-CD1 4.48Å; F470-L515 HydrophobicContact CZ-CD2 3.65Å; F470-L515 HydrophobicContact CZ-CG 3.73Å; L473-L515 HydrophobicContact CD2-CD1 3.98Å; L473-L515 HydrophobicContact CG-CD1 4.2Å; L473-L515 HydrophobicContact CG-CD2 4.48Å; I501-L515 HydrophobicContact CG2-CB 3.51Å; L504-L515 HydrophobicContact CD2-CD1 3.88Å; L504-L515 HydrophobicContact CG-CD1 4.36Å; P512-L515 PolarHBondContact O-N 3.48Å; P512-L515 VanDerWaalsContact O-N 3.16Å; F513-L515 PolarHBondContact O-N 2.88Å; L515-F517 PolarHBondContact O-N 3.43Å; L515-P518 VanDerWaalsContact O-CD 3.25Å; L515-P518 WeakPolarHBondContact O-CD 3.35Å; L515-P518 WeakPolarHBondContact O-CG 3.25Å; L515-V519 VanDerWaalsContact O-CB 3.29Å; L515-V519 WeakPolarHBondContact O-CB 3.44Å; L515-V519 WeakPolarHBondContact O-CG2 3.33Å; L515-V519 PolarHBondContact O-N 3.11Å |
| 516 | A | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L255 L498 I501 F502 P512 T520 | L255-A516 HydrophobicContact CD1-CB 3.79Å; L498-A516 HydrophobicContact CD2-CB 4.1Å; I501-A516 HydrophobicContact CG2-CB 4.32Å; F502-A516 HydrophobicContact CE1-CB 3.84Å; F502-A516 HydrophobicContact CZ-CB 4.01Å; P512-A516 WeakPolarHBondContact O-CB 3.25Å; P512-A516 PolarHBondContact O-N 3.02Å; A516-T520 WeakPolarHBondContact O-CB 3.45Å; A516-T520 PolarHBondContact O-N 2.92Å; A516-T520 PolarHBondContact O-OG1 3.37Å |
| 517 | F | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.2 | -52.1 | -179 | -74.8 | 8 | 0 | 0 | 0 | 113.9 | L255 L269 W274 Y277 F513 L515 V519 T520 V521 V569 F577 | L255-F517 HydrophobicContact CD1-CD1 4.46Å; L255-F517 HydrophobicContact CD2-CD1 3.73Å; L255-F517 HydrophobicContact CD2-CE1 3.95Å; L269-F517 HydrophobicContact CD1-CE1 4.25Å; L269-F517 HydrophobicContact CD1-CZ 4.08Å; W274-F517 HydrophobicContact CE3-CE1 4.37Å; W274-F517 HydrophobicContact CE3-CZ 4.5Å; W274-F517 AromaticContact CZ3-CD1 3.88Å; W274-F517 HydrophobicContact CZ3-CD1 3.88Å; W274-F517 HydrophobicContact CZ3-CE1 4.06Å; W274-F517 HydrophobicContact CZ3-CG 4.12Å; W274-F517 HydrophobicContact CZ3-CZ 4.47Å; Y277-F517 AromaticContact CD1-CD2 3.92Å; Y277-F517 HydrophobicContact CD1-CD2 3.92Å; Y277-F517 HydrophobicContact CD1-CE2 4.28Å; Y277-F517 HydrophobicContact CD1-CG 4.47Å; Y277-F517 HydrophobicContact CD2-CD2 4.14Å; Y277-F517 HydrophobicContact CE1-CB 3.93Å; Y277-F517 AromaticContact CE1-CD2 3.83Å; Y277-F517 HydrophobicContact CE1-CD2 3.83Å; Y277-F517 HydrophobicContact CE1-CG 4.06Å; Y277-F517 HydrophobicContact CE2-CD2 4.04Å; Y277-F517 HydrophobicContact CG-CD2 4.09Å; Y277-F517 HydrophobicContact CG-CE2 4.26Å; Y277-F517 AromaticContact CZ-CD2 3.89Å; F513-F517 HydrophobicContact CB-CD1 3.86Å; F513-F517 HydrophobicContact CB-CD2 4.13Å; F513-F517 HydrophobicContact CB-CE1 3.7Å; F513-F517 HydrophobicContact CB-CE2 3.97Å; F513-F517 HydrophobicContact CB-CG 4.08Å; F513-F517 HydrophobicContact CB-CZ 3.76Å; F513-F517 HydrophobicContact CD1-CD1 4.05Å; F513-F517 AromaticContact CD1-CE1 3.46Å; F513-F517 HydrophobicContact CD1-CE1 3.46Å; F513-F517 VanDerWaalsContact CD1-CE1 3.46Å; F513-F517 HydrophobicContact CD1-CZ 4.01Å; F513-F517 AromaticContact CD2-CE1 3.72Å; F513-F517 HydrophobicContact CD2-CE1 3.72Å; F513-F517 HydrophobicContact CD2-CE2 4.06Å; F513-F517 AromaticContact CD2-CZ 3.34Å; F513-F517 HydrophobicContact CD2-CZ 3.34Å; F513-F517 AromaticContact CE1-CE1 3.98Å; F513-F517 HydrophobicContact CE1-CE1 3.98Å; F513-F517 HydrophobicContact CE1-CZ 4.48Å; F513-F517 HydrophobicContact CE2-CE1 4.24Å; F513-F517 AromaticContact CE2-CZ 3.92Å; F513-F517 HydrophobicContact CE2-CZ 3.92Å; F513-F517 AromaticContact CG-CD1 3.97Å; F513-F517 HydrophobicContact CG-CD1 3.97Å; F513-F517 AromaticContact CG-CE1 3.33Å; F513-F517 HydrophobicContact CG-CE1 3.33Å; F513-F517 HydrophobicContact CG-CE2 4.13Å; F513-F517 AromaticContact CG-CZ 3.43Å; F513-F517 HydrophobicContact CG-CZ 3.43Å; F513-F517 VanDerWaalsContact CG-CZ 3.43Å; F513-F517 HydrophobicContact CZ-CE1 4.36Å; F513-F517 HydrophobicContact CZ-CZ 4.45Å; F513-F517 WeakPolarHBondContact O-CB 3.35Å; F513-F517 PolarHBondContact O-N 2.89Å; L515-F517 PolarHBondContact O-N 3.43Å; F517-V519 VanDerWaalsContact C-N 3.3Å; F517-V519 PolarHBondContact O-N 2.98Å; F517-T520 PolarHBondContact O-N 3.39Å; F517-V521 WeakPolarHBondContact O-CG2 3.39Å; F517-V521 PolarHBondContact O-N 2.99Å; F517-V569 HydrophobicContact CB-CG2 3.75Å; F517-V569 HydrophobicContact CD2-CG2 4.2Å; F517-V569 HydrophobicContact CG-CG2 4.49Å; F517-F577 AromaticContact CE2-CD2 3.79Å; F517-F577 HydrophobicContact CE2-CD2 3.79Å; F517-F577 HydrophobicContact CE2-CE1 4.35Å; F517-F577 AromaticContact CE2-CE2 3.53Å; F517-F577 HydrophobicContact CE2-CE2 3.53Å; F517-F577 HydrophobicContact CE2-CG 4.3Å; F517-F577 AromaticContact CE2-CZ 3.83Å; F517-F577 HydrophobicContact CE2-CZ 3.83Å; F517-F577 HydrophobicContact CZ-CD1 4.37Å; F517-F577 HydrophobicContact CZ-CD2 4.36Å; F517-F577 HydrophobicContact CZ-CE1 4.01Å; F517-F577 HydrophobicContact CZ-CE2 4.01Å; F517-F577 AromaticContact CZ-CZ 3.81Å; F517-F577 HydrophobicContact CZ-CZ 3.81Å |
| 518 | P | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -66.3 | -35.5 | 179.7 | 26.9 | -35.9 | 0 | 0 | 0 | 111.7 | T478 L515 V521 A522 A565 I566 | T478-P518 HydrophobicContact CG2-CB 4.18Å; T478-P518 WeakPolarHBondContact OG1-CB 3.06Å; L515-P518 VanDerWaalsContact O-CD 3.25Å; L515-P518 WeakPolarHBondContact O-CD 3.35Å; L515-P518 WeakPolarHBondContact O-CG 3.25Å; P518-V521 PolarHBondContact O-N 2.99Å; P518-A522 VanDerWaalsContact O-CB 3.31Å; P518-A522 WeakPolarHBondContact O-CB 3.21Å; P518-A522 PolarHBondContact O-N 3.09Å; P518-A565 HydrophobicContact CB-CB 3.87Å; P518-I566 HydrophobicContact CB-CG1 3.89Å; P518-I566 HydrophobicContact CG-CG1 4.45Å |
| 519 | V | 97.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 8.9 Ų | 8.9 | 1% | 0.006 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -60 | -50.4 | 172.9 | 164.9 | 0 | 0 | 0 | 0 | 111.3 | C477 A481 I497 L498 I501 L515 F517 V521 A522 T523 | C477-V519 HydrophobicContact CB-CG2 3.97Å; A481-V519 HydrophobicContact CB-CB 4.47Å; A481-V519 HydrophobicContact CB-CG1 3.86Å; A481-V519 HydrophobicContact CB-CG2 4.44Å; I497-V519 HydrophobicContact CB-CG1 4.4Å; I497-V519 HydrophobicContact CG2-CG1 3.53Å; L498-V519 HydrophobicContact CD2-CG1 4.28Å; I501-V519 HydrophobicContact CD1-CG2 4.19Å; I501-V519 HydrophobicContact CG1-CG1 4.34Å; I501-V519 HydrophobicContact CG1-CG2 4.23Å; L515-V519 VanDerWaalsContact O-CB 3.29Å; L515-V519 WeakPolarHBondContact O-CB 3.44Å; L515-V519 WeakPolarHBondContact O-CG2 3.33Å; L515-V519 PolarHBondContact O-N 3.11Å; F517-V519 VanDerWaalsContact C-N 3.3Å; F517-V519 PolarHBondContact O-N 2.98Å; V519-V521 VanDerWaalsContact C-N 3.32Å; V519-V521 PolarHBondContact O-N 3.23Å; V519-A522 PolarHBondContact O-N 3.23Å; V519-T523 WeakPolarHBondContact O-CG2 3.35Å; V519-T523 PolarHBondContact O-N 3.33Å |
| 520 | T | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -58 | -45.4 | 178.1 | -63.4 | 0 | 0 | 0 | 0 | 111.8 | P251 N252 L255 W274 L498 A516 F517 T523 | P251-T520 HydrophobicContact CB-CG2 4.01Å; P251-T520 WeakPolarHBondContact O-CG2 3.25Å; N252-T520 WeakPolarHBondContact OD1-CG2 3.23Å; L255-T520 HydrophobicContact CB-CG2 3.93Å; L255-T520 HydrophobicContact CD2-CG2 3.98Å; W274-T520 HydrophobicContact CH2-CG2 4.18Å; L498-T520 WeakPolarHBondContact CD2-OG1 3.29Å; A516-T520 WeakPolarHBondContact O-CB 3.45Å; A516-T520 PolarHBondContact O-N 2.92Å; A516-T520 PolarHBondContact O-OG1 3.37Å; F517-T520 PolarHBondContact O-N 3.39Å; T520-T523 PolarHBondContact O-N 3.15Å; T520-T523 PolarHBondContact O-OG1 3.14Å |
| 521 | V | 97.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 178.7 | 171.8 | 0 | 0 | 0 | 0 | 111 | V243 W274 Y277 L281 F517 P518 V519 T523 S524 Y525 A565 | V243-V521 HydrophobicContact CG1-CB 4.44Å; V243-V521 HydrophobicContact CG1-CG1 4.06Å; V243-V521 HydrophobicContact CG1-CG2 3.87Å; W274-V521 HydrophobicContact CH2-CG2 4.24Å; Y277-V521 HydrophobicContact CE1-CG2 4.12Å; L281-V521 HydrophobicContact CD2-CG1 3.94Å; L281-V521 HydrophobicContact CD2-CG2 4.06Å; F517-V521 WeakPolarHBondContact O-CG2 3.39Å; F517-V521 PolarHBondContact O-N 2.99Å; P518-V521 PolarHBondContact O-N 2.99Å; V519-V521 VanDerWaalsContact C-N 3.32Å; V519-V521 PolarHBondContact O-N 3.23Å; V521-T523 VanDerWaalsContact C-N 3.32Å; V521-T523 PolarHBondContact O-N 3.06Å; V521-S524 WeakPolarHBondContact O-CB 3.36Å; V521-S524 PolarHBondContact O-N 2.83Å; V521-Y525 HydrophobicContact CG1-CD2 3.73Å; V521-Y525 HydrophobicContact CG1-CE1 4.38Å; V521-Y525 HydrophobicContact CG1-CE2 3.15Å; V521-Y525 PolarHBondContact O-N 3.2Å; V521-A565 HydrophobicContact CB-CB 3.97Å; V521-A565 HydrophobicContact CG1-CB 3.87Å |
| 522 | A | 96.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 8.4 Ų | 8.4 | 3% | 0.033 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.2 | -36.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T478 P518 V519 S524 Y525 | T478-A522 HydrophobicContact CG2-CB 3.55Å; T478-A522 WeakPolarHBondContact O-CB 3.33Å; P518-A522 VanDerWaalsContact O-CB 3.31Å; P518-A522 WeakPolarHBondContact O-CB 3.21Å; P518-A522 PolarHBondContact O-N 3.09Å; V519-A522 PolarHBondContact O-N 3.23Å; A522-S524 PolarHBondContact O-N 3.3Å; A522-S524 VanDerWaalsContact O-N 3.09Å; A522-Y525 PolarHBondContact O-N 3.15Å; A522-Y525 VanDerWaalsContact O-N 3.09Å |
| 523 | T | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 8.5 Ų | 8.5 | 0% | 0 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -4.1 | 171.9 | 62.9 | 0 | 0 | 0 | 0 | 114.1 | A481 T485 N490 A493 I497 V519 T520 V521 | A481-T523 HydrophobicContact CB-CG2 4.01Å; T485-T523 WeakPolarHBondContact CG2-O 3.5Å; T485-T523 WeakPolarHBondContact OG1-CA 3.44Å; N490-T523 WeakPolarHBondContact CB-O 3.21Å; N490-T523 PolarHBondContact OD1-O 3.19Å; A493-T523 HydrophobicContact CB-CG2 4.18Å; I497-T523 HydrophobicContact CD1-CG2 4.27Å; V519-T523 WeakPolarHBondContact O-CG2 3.35Å; V519-T523 PolarHBondContact O-N 3.33Å; T520-T523 PolarHBondContact O-N 3.15Å; T520-T523 PolarHBondContact O-OG1 3.14Å; V521-T523 VanDerWaalsContact C-N 3.32Å; V521-T523 PolarHBondContact O-N 3.06Å |
| 524 | S | 95.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 11.7 Ų | 11.7 | 1% | 0.007 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -18 | 171.6 | -61.4 | 0 | 0 | 0 | 0 | 112.8 | V243 T249 V521 A522 S526 | V243-S524 VanDerWaalsContact CG2-CB 3.44Å; T249-S524 WeakPolarHBondContact CG2-OG 3.47Å; V521-S524 WeakPolarHBondContact O-CB 3.36Å; V521-S524 PolarHBondContact O-N 2.83Å; A522-S524 PolarHBondContact O-N 3.3Å; A522-S524 VanDerWaalsContact O-N 3.09Å; S524-S526 PolarHBondContact O-N 3.35Å |
| 525 | Y | 93.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 11 Ų | 11 | 0% | 0.004 | 8% | 0.077 | C | C | . | . | trans | -93.4 | 62.9 | -179.5 | -66.6 | -20.2 | 0 | 0 | 0 | 110.9 | I240 V243 M285 V521 A522 F527 N558 | I240-Y525 HydrophobicContact CG1-CE1 4.2Å; V243-Y525 HydrophobicContact CB-CE1 4.34Å; V243-Y525 HydrophobicContact CG2-CD1 4.22Å; V243-Y525 HydrophobicContact CG2-CE1 3.59Å; M285-Y525 HydrophobicContact CE-CE2 4.3Å; M285-Y525 HydrophobicContact CG-CE2 4.05Å; V521-Y525 HydrophobicContact CG1-CD2 3.73Å; V521-Y525 HydrophobicContact CG1-CE1 4.38Å; V521-Y525 HydrophobicContact CG1-CE2 3.15Å; V521-Y525 PolarHBondContact O-N 3.2Å; A522-Y525 PolarHBondContact O-N 3.15Å; A522-Y525 VanDerWaalsContact O-N 3.09Å; Y525-F527 AromaticContact CD1-CE2 3.78Å; Y525-F527 HydrophobicContact CD1-CE2 3.78Å; Y525-F527 AromaticContact CD1-CZ 3.53Å; Y525-F527 HydrophobicContact CD1-CZ 3.53Å; Y525-F527 HydrophobicContact CE1-CZ 4.3Å; Y525-F527 AromaticContact CG-CE2 3.74Å; Y525-F527 HydrophobicContact CG-CE2 3.74Å; Y525-F527 HydrophobicContact CG-CZ 4.01Å; Y525-N558 PolarHBondContact O-OD1 2.9Å | ||
| 526 | S | 91.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -103.8 | 75.5 | 177.2 | -35.4 | 0 | 0 | 0 | 0 | 109.8 | T485 E486 N490 S524 N536 | T485-S526 WeakPolarHBondContact CB-OG 3.49Å; T485-S526 WeakPolarHBondContact CG2-OG 3.49Å; E486-S526 VanDerWaalsContact OE1-CA 3.25Å; E486-S526 WeakPolarHBondContact OE1-CA 3.14Å; N490-S526 PolarHBondContact OD1-OG 2.84Å; S524-S526 PolarHBondContact O-N 3.35Å; S526-N536 PolarHBondContact O-ND2 3Å | ||
| 527 | F | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | trans | -92.8 | -9.6 | -170 | -61.3 | -60.5 | 0 | 0 | 0 | 114.7 | Y236 I240 E486 Y525 M557 N558 | Y236-F527 HydrophobicContact CD1-CB 4.25Å; Y236-F527 AromaticContact CD1-CD1 3.51Å; Y236-F527 HydrophobicContact CD1-CD1 3.51Å; Y236-F527 HydrophobicContact CD1-CE1 4.25Å; Y236-F527 HydrophobicContact CD1-CG 4.21Å; Y236-F527 HydrophobicContact CD2-CD1 4.27Å; Y236-F527 HydrophobicContact CE1-CB 3.66Å; Y236-F527 AromaticContact CE1-CD1 3.84Å; Y236-F527 HydrophobicContact CE1-CD1 3.84Å; Y236-F527 HydrophobicContact CE1-CG 4.12Å; Y236-F527 WeakPolarHBondContact CE1-O 3.34Å; Y236-F527 HydrophobicContact CE2-CB 4.18Å; Y236-F527 HydrophobicContact CE2-CG 4.44Å; Y236-F527 AromaticContact CG-CD1 3.75Å; Y236-F527 HydrophobicContact CG-CD1 3.75Å; Y236-F527 HydrophobicContact CG-CE1 4.15Å; Y236-F527 HydrophobicContact CG-CG 4.42Å; Y236-F527 PolarHBondContact OH-O 3.13Å; I240-F527 HydrophobicContact CD1-CZ 4.17Å; I240-F527 HydrophobicContact CG1-CE1 4.15Å; I240-F527 HydrophobicContact CG1-CZ 3.66Å; E486-F527 PolarHBondContact OE1-N 3.04Å; Y525-F527 AromaticContact CD1-CE2 3.78Å; Y525-F527 HydrophobicContact CD1-CE2 3.78Å; Y525-F527 AromaticContact CD1-CZ 3.53Å; Y525-F527 HydrophobicContact CD1-CZ 3.53Å; Y525-F527 HydrophobicContact CE1-CZ 4.3Å; Y525-F527 AromaticContact CG-CE2 3.74Å; Y525-F527 HydrophobicContact CG-CE2 3.74Å; Y525-F527 HydrophobicContact CG-CZ 4.01Å; F527-M557 HydrophobicContact CB-CB 4.41Å; F527-M557 HydrophobicContact CD2-CB 3.51Å; F527-M557 HydrophobicContact CE2-CB 4.04Å; F527-M557 HydrophobicContact CG-CB 4.18Å; F527-N558 VanDerWaalsContact CB-OD1 3.29Å; F527-N558 WeakPolarHBondContact CB-OD1 3.31Å; F527-N558 WeakPolarHBondContact CD2-OD1 3.43Å; F527-N558 PolarHBondContact N-OD1 3.13Å | ||
| 528 | S | 94.2 | Very high | 94 | Very high | 6 Ų | 6 | 14.9 Ų | 14.9 | 4% | 0.042 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -90.9 | -36.8 | -160.7 | -50.4 | 0 | 0 | 0 | 0 | 113.8 | E486 M550 L551 G554 I555 N558 | E486-S528 VanDerWaalsContact CD-CB 3.49Å; E486-S528 VanDerWaalsContact OE1-CB 3.25Å; E486-S528 WeakPolarHBondContact OE1-CB 3.44Å; E486-S528 PolarHBondContact OE1-N 3.36Å; E486-S528 PolarHBondContact OE1-OG 3.44Å; E486-S528 VanDerWaalsContact OE1-OG 3.11Å; E486-S528 WeakPolarHBondContact OE2-CB 2.98Å; E486-S528 PolarHBondContact OE2-N 2.84Å; S528-M550 CarbonylContact O-C 3.5Å; S528-M550 VanDerWaalsContact O-C 3.29Å; S528-M550 WeakPolarHBondContact O-CB 3.34Å; S528-L551 PolarHBondContact O-N 3.47Å; S528-G554 VanDerWaalsContact OG-C 3.27Å; S528-I555 PolarHBondContact OG-N 3.18Å; S528-N558 PolarHBondContact OG-ND2 3.4Å; S528-N558 VanDerWaalsContact OG-ND2 3.13Å |
| 529 | L | 93.7 | Very high | 93.9 | Very high | 40 Ų | 40 | 14.9 Ų | 14.9 | 21% | 0.209 | 10% | 0.099 | C | C | . | . | trans | -109.3 | 149.9 | -177.3 | -64 | 179.6 | 0 | 0 | 0 | 113.2 | E486 F487 A532 N536 L551 | E486-L529 HydrophobicContact CB-CD1 4.08Å; E486-L529 HydrophobicContact CB-CG 4.49Å; E486-L529 WeakPolarHBondContact OE2-CB 3.23Å; E486-L529 PolarHBondContact OE2-N 3.01Å; F487-L529 HydrophobicContact CD1-CD1 4.28Å; F487-L529 HydrophobicContact CE1-CD1 3.93Å; F487-L529 HydrophobicContact CZ-CD1 4.28Å; L529-A532 HydrophobicContact CB-CB 4.12Å; L529-A532 WeakPolarHBondContact O-CB 3.47Å; L529-A532 PolarHBondContact O-N 3.32Å; L529-N536 PolarHBondContact O-ND2 2.67Å; L529-L551 HydrophobicContact CD2-CD2 3.73Å | ||
| 530 | P | 89.2 | Confident | 93.8 | Very high | 18 Ų | 18 | 18.1 Ų | 18.1 | 12% | 0.117 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -49 | 174.6 | -19.7 | 27.9 | 0 | 0 | 0 | 112.4 | A532 N536 T537 F540 V547 M550 | P530-A532 PolarHBondContact O-N 2.73Å; P530-N536 CarbonylContact O-C 3.59Å; P530-N536 VanDerWaalsContact O-CB 3.32Å; P530-N536 WeakPolarHBondContact O-CB 3.4Å; P530-T537 PolarHBondContact O-N 2.96Å; P530-T537 VanDerWaalsContact O-N 3.12Å; P530-T537 PolarHBondContact O-OG1 3.42Å; P530-F540 HydrophobicContact CB-CB 3.94Å; P530-F540 HydrophobicContact CB-CD1 3.89Å; P530-F540 HydrophobicContact CB-CD2 3.98Å; P530-F540 HydrophobicContact CB-CE1 4.39Å; P530-F540 HydrophobicContact CB-CE2 4.48Å; P530-F540 HydrophobicContact CB-CG 3.66Å; P530-F540 HydrophobicContact CG-CD1 4.29Å; P530-F540 HydrophobicContact CG-CD2 3.7Å; P530-F540 HydrophobicContact CG-CE1 4.43Å; P530-F540 HydrophobicContact CG-CE2 3.88Å; P530-F540 HydrophobicContact CG-CG 3.92Å; P530-F540 HydrophobicContact CG-CZ 4.24Å; P530-V547 HydrophobicContact CG-CG2 3.93Å; P530-M550 HydrophobicContact CB-SD 4.02Å; P530-M550 HydrophobicContact CG-SD 3.64Å |
| 531 | A | 87 | Confident | 93.6 | Very high | 85 Ų | 85 | 23.7 Ų | 23.7 | 70% | 0.702 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -12.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T533 | A531-T533 VanDerWaalsContact C-N 3.33Å; A531-T533 PolarHBondContact O-N 3.32Å |
| 532 | A | 86.9 | Confident | 93.3 | Very high | 5 Ų | 5 | 27.7 Ų | 27.7 | 4% | 0.041 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -38.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E486 L529 P530 | E486-A532 VanDerWaalsContact OE2-CB 3.28Å; E486-A532 WeakPolarHBondContact OE2-CB 3.37Å; L529-A532 HydrophobicContact CB-CB 4.12Å; L529-A532 WeakPolarHBondContact O-CB 3.47Å; L529-A532 PolarHBondContact O-N 3.32Å; P530-A532 PolarHBondContact O-N 2.73Å |
| 533 | T | 91.2 | Very high | 92.8 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -141.3 | 145.8 | 178.5 | 66.9 | 0 | 0 | 0 | 0 | 111.7 | A531 P535 N536 T537 | A531-T533 VanDerWaalsContact C-N 3.33Å; A531-T533 PolarHBondContact O-N 3.32Å; T533-P535 VanDerWaalsContact C-CD 3.48Å; T533-P535 VanDerWaalsContact C-N 3.34Å; T533-N536 WeakPolarHBondContact O-CA 3.28Å; T533-N536 VanDerWaalsContact O-CB 3.28Å; T533-N536 WeakPolarHBondContact O-CB 3.44Å; T533-N536 PolarHBondContact O-N 2.91Å; T533-N536 VanDerWaalsContact OG1-CG 3.23Å; T533-N536 PolarHBondContact OG1-ND2 2.89Å; T533-T537 PolarHBondContact O-N 3.16Å; T533-T537 PolarHBondContact O-OG1 2.91Å |
| 534 | P | 91.5 | Very high | 92.5 | Very high | 67 Ų | 67 | 32 Ų | 32 | 44% | 0.435 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.7 | -36.6 | 177 | -23.9 | 32.2 | 0 | 0 | 0 | 115.1 | T148 N536 T537 I538 | T148-P534 HydrophobicContact CG2-CB 3.76Å; T148-P534 VanDerWaalsContact OG1-CB 3.27Å; T148-P534 WeakPolarHBondContact OG1-CB 3.33Å; P534-N536 VanDerWaalsContact C-N 3.3Å; P534-N536 PolarHBondContact O-N 3.35Å; P534-T537 PolarHBondContact O-N 2.87Å; P534-I538 VanDerWaalsContact O-CG1 3.3Å; P534-I538 WeakPolarHBondContact O-CG1 3.18Å; P534-I538 PolarHBondContact O-N 2.88Å |
| 535 | P | 95.7 | Very high | 92.4 | Very high | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.4 | -43.3 | 169.7 | -29.6 | 37.5 | 0 | 0 | 0 | 113.7 | N147 T151 A235 T533 I538 V539 | N147-P535 HydrophobicContact CB-CG 3.68Å; T151-P535 HydrophobicContact CG2-CB 4.11Å; T151-P535 WeakPolarHBondContact OG1-CB 3.49Å; A235-P535 HydrophobicContact CB-CB 3.99Å; T533-P535 VanDerWaalsContact C-CD 3.48Å; T533-P535 VanDerWaalsContact C-N 3.34Å; P535-I538 PolarHBondContact O-N 3.32Å; P535-V539 PolarHBondContact O-N 3.04Å |
| 536 | N | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.8 | -42.8 | 176.8 | -76.4 | 0.1 | 0 | 0 | 0 | 111.4 | S526 L529 P530 T533 P534 V539 F540 M550 | S526-N536 PolarHBondContact O-ND2 3Å; L529-N536 PolarHBondContact O-ND2 2.67Å; P530-N536 CarbonylContact O-C 3.59Å; P530-N536 VanDerWaalsContact O-CB 3.32Å; P530-N536 WeakPolarHBondContact O-CB 3.4Å; T533-N536 WeakPolarHBondContact O-CA 3.28Å; T533-N536 VanDerWaalsContact O-CB 3.28Å; T533-N536 WeakPolarHBondContact O-CB 3.44Å; T533-N536 PolarHBondContact O-N 2.91Å; T533-N536 VanDerWaalsContact OG1-CG 3.23Å; T533-N536 PolarHBondContact OG1-ND2 2.89Å; P534-N536 VanDerWaalsContact C-N 3.3Å; P534-N536 PolarHBondContact O-N 3.35Å; N536-V539 WeakPolarHBondContact O-CG2 3.32Å; N536-V539 PolarHBondContact O-N 3.02Å; N536-F540 VanDerWaalsContact O-CB 3.28Å; N536-F540 WeakPolarHBondContact O-CB 3.29Å; N536-F540 PolarHBondContact O-N 3.26Å; N536-M550 HydrophobicContact CB-CE 3.45Å; N536-M550 VanDerWaalsContact CB-CE 3.45Å |
| 537 | T | 94.9 | Very high | 92.6 | Very high | 46 Ų | 46 | 41.2 Ų | 41.2 | 28% | 0.282 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.2 | -48.5 | 175.2 | -51.7 | 0 | 0 | 0 | 0 | 111.4 | P530 T533 P534 V539 F540 D541 | P530-T537 PolarHBondContact O-N 2.96Å; P530-T537 VanDerWaalsContact O-N 3.12Å; P530-T537 PolarHBondContact O-OG1 3.42Å; T533-T537 PolarHBondContact O-N 3.16Å; T533-T537 PolarHBondContact O-OG1 2.91Å; P534-T537 PolarHBondContact O-N 2.87Å; T537-V539 VanDerWaalsContact C-N 3.29Å; T537-V539 PolarHBondContact O-N 2.99Å; T537-F540 PolarHBondContact O-N 3.12Å; T537-F540 VanDerWaalsContact O-N 3.12Å; T537-D541 WeakPolarHBondContact O-CB 3.39Å; T537-D541 VanDerWaalsContact O-CG 3.23Å; T537-D541 PolarHBondContact O-N 2.95Å |
| 538 | I | 95.8 | Very high | 92.6 | Very high | 34 Ų | 34 | 46.2 Ų | 46.2 | 17% | 0.174 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -41 | -178.4 | -70.2 | 162.3 | 0 | 0 | 0 | 111.8 | T148 T151 A152 I155 P534 P535 | T148-I538 HydrophobicContact CG2-CD1 3.74Å; T148-I538 WeakPolarHBondContact O-CD1 3.34Å; T151-I538 HydrophobicContact CG2-CB 4.14Å; T151-I538 HydrophobicContact CG2-CD1 4.28Å; T151-I538 HydrophobicContact CG2-CG2 4.03Å; A152-I538 HydrophobicContact CB-CD1 4.03Å; I155-I538 HydrophobicContact CB-CG2 4.41Å; I155-I538 HydrophobicContact CG1-CG2 4.19Å; P534-I538 VanDerWaalsContact O-CG1 3.3Å; P534-I538 WeakPolarHBondContact O-CG1 3.18Å; P534-I538 PolarHBondContact O-N 2.88Å; P535-I538 PolarHBondContact O-N 3.32Å |
| 539 | V | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -78 | -28.3 | -179.3 | -59 | 0 | 0 | 0 | 0 | 112.4 | T151 I155 S231 L232 A235 P535 N536 T537 | T151-V539 HydrophobicContact CG2-CG1 4.13Å; I155-V539 HydrophobicContact CD1-CG1 3.82Å; I155-V539 HydrophobicContact CG1-CG1 4.11Å; S231-V539 WeakPolarHBondContact O-CG1 3.49Å; L232-V539 HydrophobicContact CD2-CG2 4.38Å; A235-V539 HydrophobicContact CB-CG1 3.93Å; A235-V539 HydrophobicContact CB-CG2 3.91Å; P535-V539 PolarHBondContact O-N 3.04Å; N536-V539 WeakPolarHBondContact O-CG2 3.32Å; N536-V539 PolarHBondContact O-N 3.02Å; T537-V539 VanDerWaalsContact C-N 3.29Å; T537-V539 PolarHBondContact O-N 2.99Å |
| 540 | F | 94.6 | Very high | 92.7 | Very high | 69 Ų | 69 | 45.3 Ų | 45.3 | 30% | 0.303 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -71.6 | -43.3 | 174.1 | -177.9 | -99.9 | 0 | 0 | 0 | 111.9 | P530 N536 T537 K542 G543 V545 V547 M550 | P530-F540 HydrophobicContact CB-CB 3.94Å; P530-F540 HydrophobicContact CB-CD1 3.89Å; P530-F540 HydrophobicContact CB-CD2 3.98Å; P530-F540 HydrophobicContact CB-CE1 4.39Å; P530-F540 HydrophobicContact CB-CE2 4.48Å; P530-F540 HydrophobicContact CB-CG 3.66Å; P530-F540 HydrophobicContact CG-CD1 4.29Å; P530-F540 HydrophobicContact CG-CD2 3.7Å; P530-F540 HydrophobicContact CG-CE1 4.43Å; P530-F540 HydrophobicContact CG-CE2 3.88Å; P530-F540 HydrophobicContact CG-CG 3.92Å; P530-F540 HydrophobicContact CG-CZ 4.24Å; N536-F540 VanDerWaalsContact O-CB 3.28Å; N536-F540 WeakPolarHBondContact O-CB 3.29Å; N536-F540 PolarHBondContact O-N 3.26Å; T537-F540 PolarHBondContact O-N 3.12Å; T537-F540 VanDerWaalsContact O-N 3.12Å; F540-K542 PolarHBondContact O-N 3.05Å; F540-G543 PolarHBondContact O-N 3.31Å; F540-V545 WeakPolarHBondContact CD2-O 3.24Å; F540-V545 WeakPolarHBondContact CE2-O 3.31Å; F540-V547 HydrophobicContact CE2-CG2 3.79Å; F540-V547 HydrophobicContact CZ-CG2 4.12Å; F540-M550 HydrophobicContact CB-SD 4.25Å; F540-M550 HydrophobicContact CD2-SD 3.96Å; F540-M550 HydrophobicContact CG-SD 4.48Å |
| 541 | D | 93.5 | Very high | 93 | Very high | 117 Ų | 117 | 47.4 Ų | 47.4 | 63% | 0.626 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -15.2 | 179.6 | -72.1 | -10.9 | 0 | 0 | 0 | 113.4 | T537 G543 | T537-D541 WeakPolarHBondContact O-CB 3.39Å; T537-D541 VanDerWaalsContact O-CG 3.23Å; T537-D541 PolarHBondContact O-N 2.95Å; D541-G543 PolarHBondContact O-N 3.33Å |
| 542 | K | 91.7 | Very high | 93.4 | Very high | 85 Ų | 85 | 48.9 Ų | 48.9 | 37% | 0.37 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -4.2 | 169.8 | -68.9 | -67.9 | -178.3 | 176.8 | 0 | 113.8 | I155 D159 F540 R544 | I155-K542 HydrophobicContact CG2-CD 4.19Å; I155-K542 HydrophobicContact CG2-CG 4.1Å; D159-K542 IonicContact OD1-NZ 3.53Å; D159-K542 WeakPolarHBondContact OD2-CE 3.41Å; D159-K542 IonicContact OD2-NZ 3.61Å; D159-K542 PolarHBondContact OD2-NZ 3.31Å; F540-K542 PolarHBondContact O-N 3.05Å; K542-R544 HydrophobicContact CB-CG 4.24Å; K542-R544 PolarHBondContact O-N 2.9Å |
| 543 | G | 87.5 | Confident | 93.9 | Very high | 65 Ų | 65 | 48.6 Ų | 48.6 | 67% | 0.67 | 26% | 0.255 | S | S | * | . | S | Bend | trans | 75.3 | -19.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | F540 D541 | F540-G543 PolarHBondContact O-N 3.31Å; D541-G543 PolarHBondContact O-N 3.33Å |
| 544 | R | 89.6 | Confident | 94.1 | Very high | 29 Ų | 29 | 48.5 Ų | 48.5 | 11% | 0.109 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -76.1 | -30.6 | 178.5 | 60.3 | -174.8 | 164 | -138 | -3.4 | 114.2 | D159 L162 N163 S227 I228 S231 K542 | D159-R544 IonicContact OD1-CZ 3.25Å; D159-R544 VanDerWaalsContact OD1-CZ 3.25Å; D159-R544 IonicContact OD1-NH1 2.82Å; D159-R544 PolarHBondContact OD1-NH1 2.85Å; D159-R544 IonicContact OD1-NH2 2.81Å; D159-R544 PolarHBondContact OD1-NH2 3.02Å; L162-R544 VanDerWaalsContact CD1-CZ 3.44Å; L162-R544 VanDerWaalsContact CD1-NH2 3.32Å; N163-R544 PolarHBondContact OD1-NH1 3.38Å; S227-R544 WeakPolarHBondContact OG-CD 3.32Å; I228-R544 VanDerWaalsContact CG1-O 3.3Å; I228-R544 WeakPolarHBondContact CG1-O 3.12Å; S231-R544 WeakPolarHBondContact OG-CD 3.23Å; S231-R544 PolarHBondContact OG-NE 3.42Å; K542-R544 HydrophobicContact CB-CG 4.24Å; K542-R544 PolarHBondContact O-N 2.9Å |
| 545 | V | 93.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | trans | -93.6 | 127.8 | -178.8 | -175.5 | 0 | 0 | 0 | 0 | 109.3 | I228 L232 F540 H549 M550 | I228-V545 HydrophobicContact CG2-CG2 4.32Å; L232-V545 HydrophobicContact CD2-CG1 3.84Å; L232-V545 HydrophobicContact CG-CG1 4.25Å; F540-V545 WeakPolarHBondContact CD2-O 3.24Å; F540-V545 WeakPolarHBondContact CE2-O 3.31Å; V545-H549 HydrophobicContact CG1-CB 4.42Å; V545-M550 HydrophobicContact CG1-CG 3.56Å; V545-M550 HydrophobicContact CG1-SD 4.03Å | ||
| 546 | R | 93.4 | Very high | 94.4 | Very high | 133 Ų | 133 | 51 Ų | 51 | 50% | 0.502 | 26% | 0.264 | S | S | . | . | trans | -103.6 | 154.9 | 175.1 | -63.5 | -179.5 | -72.2 | -165.7 | -11.9 | 110.3 | K548 H549 M550 | R546-K548 HydrophobicContact CB-CG 4.21Å; R546-K548 VanDerWaalsContact CZ-NZ 3.32Å; R546-K548 VanDerWaalsContact NH2-NZ 3.17Å; R546-K548 PolarHBondContact O-N 2.87Å; R546-K548 VanDerWaalsContact O-N 3.13Å; R546-H549 PolarHBondContact NE-NE2 2.8Å; R546-H549 PolarHBondContact NH2-NE2 2.93Å; R546-H549 WeakPolarHBondContact O-CA 3.12Å; R546-H549 WeakPolarHBondContact O-CB 3.4Å; R546-H549 PolarHBondContact O-N 2.84Å; R546-M550 PolarHBondContact O-N 3.48Å | ||
| 547 | V | 94.4 | Very high | 94.4 | Very high | 59 Ų | 59 | 51 Ų | 51 | 36% | 0.358 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -51 | -41.4 | 178.1 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | P530 F540 H549 M550 L551 | P530-V547 HydrophobicContact CG-CG2 3.93Å; F540-V547 HydrophobicContact CE2-CG2 3.79Å; F540-V547 HydrophobicContact CZ-CG2 4.12Å; V547-H549 VanDerWaalsContact C-N 3.26Å; V547-H549 PolarHBondContact O-N 3.43Å; V547-M550 PolarHBondContact O-N 2.91Å; V547-M550 VanDerWaalsContact O-N 3.09Å; V547-L551 HydrophobicContact CG1-CD1 3.87Å; V547-L551 HydrophobicContact CG1-CG 4.09Å; V547-L551 WeakPolarHBondContact O-CG 3.48Å; V547-L551 PolarHBondContact O-N 3.01Å |
| 548 | K | 94.8 | Very high | 94.5 | Very high | 105 Ų | 105 | 50 Ų | 50 | 46% | 0.457 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -57.4 | -37.7 | 176.8 | 72.5 | 179.2 | -174.2 | -177.1 | 0 | 113.4 | R546 M550 M552 | R546-K548 HydrophobicContact CB-CG 4.21Å; R546-K548 VanDerWaalsContact CZ-NZ 3.32Å; R546-K548 VanDerWaalsContact NH2-NZ 3.17Å; R546-K548 PolarHBondContact O-N 2.87Å; R546-K548 VanDerWaalsContact O-N 3.13Å; K548-M550 VanDerWaalsContact C-N 3.35Å; K548-M552 WeakPolarHBondContact O-CB 3.3Å; K548-M552 WeakPolarHBondContact O-CG 3.24Å; K548-M552 PolarHBondContact O-N 3.21Å |
| 549 | H | 94.7 | Very high | 94.4 | Very high | 27 Ų | 27 | 53.2 Ų | 53.2 | 13% | 0.125 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -70.1 | -36.9 | 179.5 | -61 | -53.8 | 0 | 0 | 0 | 110.8 | I228 L232 V545 R546 V547 A553 | I228-H549 HydrophobicContact CG2-CB 3.93Å; L232-H549 HydrophobicContact CD1-CB 4.49Å; V545-H549 HydrophobicContact CG1-CB 4.42Å; R546-H549 PolarHBondContact NE-NE2 2.8Å; R546-H549 PolarHBondContact NH2-NE2 2.93Å; R546-H549 WeakPolarHBondContact O-CA 3.12Å; R546-H549 WeakPolarHBondContact O-CB 3.4Å; R546-H549 PolarHBondContact O-N 2.84Å; V547-H549 VanDerWaalsContact C-N 3.26Å; V547-H549 PolarHBondContact O-N 3.43Å; H549-A553 VanDerWaalsContact O-CB 3.26Å; H549-A553 WeakPolarHBondContact O-CB 3.5Å; H549-A553 PolarHBondContact O-N 3.03Å; H549-A553 VanDerWaalsContact O-N 3.11Å |
| 550 | M | 96.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.6 | -45.1 | 176.3 | -54.9 | -171.5 | 72.1 | 0 | 0 | 111.7 | L232 Y236 S528 P530 N536 F540 V545 R546 V547 K548 A553 G554 | L232-M550 HydrophobicContact CD2-CE 4.39Å; L232-M550 HydrophobicContact CD2-CG 4Å; Y236-M550 PolarHBondContact OH-O 3.2Å; S528-M550 CarbonylContact O-C 3.5Å; S528-M550 VanDerWaalsContact O-C 3.29Å; S528-M550 WeakPolarHBondContact O-CB 3.34Å; P530-M550 HydrophobicContact CB-SD 4.02Å; P530-M550 HydrophobicContact CG-SD 3.64Å; N536-M550 HydrophobicContact CB-CE 3.45Å; N536-M550 VanDerWaalsContact CB-CE 3.45Å; F540-M550 HydrophobicContact CB-SD 4.25Å; F540-M550 HydrophobicContact CD2-SD 3.96Å; F540-M550 HydrophobicContact CG-SD 4.48Å; V545-M550 HydrophobicContact CG1-CG 3.56Å; V545-M550 HydrophobicContact CG1-SD 4.03Å; R546-M550 PolarHBondContact O-N 3.48Å; V547-M550 PolarHBondContact O-N 2.91Å; V547-M550 VanDerWaalsContact O-N 3.09Å; K548-M550 VanDerWaalsContact C-N 3.35Å; M550-A553 PolarHBondContact O-N 3.45Å; M550-G554 WeakPolarHBondContact O-CA 3.24Å; M550-G554 PolarHBondContact O-N 3.25Å |
| 551 | L | 96 | Very high | 94.6 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 33% | 0.325 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 177.1 | -71.1 | 174.1 | 0 | 0 | 0 | 111.8 | S528 L529 V547 A553 G554 I555 | S528-L551 PolarHBondContact O-N 3.47Å; L529-L551 HydrophobicContact CD2-CD2 3.73Å; V547-L551 HydrophobicContact CG1-CD1 3.87Å; V547-L551 HydrophobicContact CG1-CG 4.09Å; V547-L551 WeakPolarHBondContact O-CG 3.48Å; V547-L551 PolarHBondContact O-N 3.01Å; L551-A553 VanDerWaalsContact C-N 3.32Å; L551-A553 PolarHBondContact O-N 3.35Å; L551-G554 PolarHBondContact O-N 2.78Å; L551-I555 HydrophobicContact CB-CD1 4.48Å; L551-I555 HydrophobicContact CD2-CD1 4.32Å; L551-I555 WeakPolarHBondContact O-CG1 3.21Å; L551-I555 PolarHBondContact O-N 3.49Å; L551-I555 VanDerWaalsContact O-N 3.16Å |
| 552 | M | 95.6 | Very high | 94.7 | Very high | 116 Ų | 116 | 47.3 Ų | 47.3 | 57% | 0.571 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -63.6 | -37.2 | 179.8 | -71.5 | 175.4 | 76.3 | 0 | 0 | 112.5 | K548 P556 | K548-M552 WeakPolarHBondContact O-CB 3.3Å; K548-M552 WeakPolarHBondContact O-CG 3.24Å; K548-M552 PolarHBondContact O-N 3.21Å; M552-P556 WeakPolarHBondContact O-CD 3.29Å |
| 553 | A | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -81.7 | -35.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L232 Y236 W292 L293 L296 F297 H549 M550 L551 M557 | L232-A553 HydrophobicContact CD1-CB 4.14Å; Y236-A553 HydrophobicContact CE2-CB 4.06Å; Y236-A553 WeakPolarHBondContact OH-CB 3.35Å; W292-A553 PolarHBondContact NE1-O 3.43Å; L293-A553 HydrophobicContact CD2-CB 4.16Å; L296-A553 HydrophobicContact CD2-CB 3.58Å; F297-A553 HydrophobicContact CE2-CB 4.47Å; H549-A553 VanDerWaalsContact O-CB 3.26Å; H549-A553 WeakPolarHBondContact O-CB 3.5Å; H549-A553 PolarHBondContact O-N 3.03Å; H549-A553 VanDerWaalsContact O-N 3.11Å; M550-A553 PolarHBondContact O-N 3.45Å; L551-A553 VanDerWaalsContact C-N 3.32Å; L551-A553 PolarHBondContact O-N 3.35Å; A553-M557 WeakPolarHBondContact O-CG 3.33Å |
| 554 | G | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -88 | -41.9 | -165.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y236 S528 M550 L551 M557 N558 | Y236-G554 WeakPolarHBondContact OH-CA 3.35Å; Y236-G554 PolarHBondContact OH-N 3.46Å; S528-G554 VanDerWaalsContact OG-C 3.27Å; M550-G554 WeakPolarHBondContact O-CA 3.24Å; M550-G554 PolarHBondContact O-N 3.25Å; L551-G554 PolarHBondContact O-N 2.78Å; G554-M557 CarbonylContact O-C 3.56Å; G554-M557 WeakPolarHBondContact O-CA 3.46Å; G554-M557 WeakPolarHBondContact O-CB 3.19Å; G554-M557 PolarHBondContact O-N 3.2Å; G554-N558 PolarHBondContact O-N 2.86Å; G554-N558 PolarHBondContact O-OD1 3.5Å |
| 555 | I | 96.1 | Very high | 95.7 | Very high | 84 Ų | 84 | 43.7 Ų | 43.7 | 43% | 0.431 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56 | -48.9 | -178.5 | -67.9 | 170.2 | 0 | 0 | 0 | 111.2 | S528 L551 M557 N558 M559 | S528-I555 PolarHBondContact OG-N 3.18Å; L551-I555 HydrophobicContact CB-CD1 4.48Å; L551-I555 HydrophobicContact CD2-CD1 4.32Å; L551-I555 WeakPolarHBondContact O-CG1 3.21Å; L551-I555 PolarHBondContact O-N 3.49Å; L551-I555 VanDerWaalsContact O-N 3.16Å; I555-M557 VanDerWaalsContact C-N 3.3Å; I555-M557 PolarHBondContact O-N 3.31Å; I555-N558 PolarHBondContact O-N 2.82Å; I555-M559 HydrophobicContact CG2-SD 4.35Å; I555-M559 WeakPolarHBondContact O-CG 3.43Å; I555-M559 PolarHBondContact O-N 3.2Å; I555-M559 VanDerWaalsContact O-N 3.14Å |
| 556 | P | 96.2 | Very high | 95.9 | Very high | 36 Ų | 36 | 44.1 Ų | 44.1 | 23% | 0.234 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62 | -37.9 | 176.3 | -26.2 | 39.2 | 0 | 0 | 0 | 112.8 | W292 M552 M559 I560 | W292-P556 HydrophobicContact CH2-CB 4.25Å; W292-P556 HydrophobicContact CH2-CG 4.07Å; W292-P556 HydrophobicContact CZ2-CB 3.83Å; W292-P556 HydrophobicContact CZ2-CG 3.61Å; M552-P556 WeakPolarHBondContact O-CD 3.29Å; P556-M559 PolarHBondContact O-N 3.42Å; P556-I560 WeakPolarHBondContact O-CB 3.47Å; P556-I560 WeakPolarHBondContact O-CD1 3.45Å; P556-I560 WeakPolarHBondContact O-CG1 3.24Å; P556-I560 PolarHBondContact O-N 3.18Å |
| 557 | M | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.8 | -38.9 | 178.7 | -74.9 | -58.5 | -53.1 | 0 | 0 | 112.7 | Y236 I240 M285 I288 A289 W292 F527 A553 G554 I555 G561 | Y236-M557 HydrophobicContact CD2-CG 4.25Å; Y236-M557 HydrophobicContact CE2-CG 4Å; I240-M557 HydrophobicContact CD1-CE 4.42Å; M285-M557 HydrophobicContact CE-CE 3.47Å; M285-M557 VanDerWaalsContact CE-CE 3.47Å; I288-M557 HydrophobicContact CG2-CE 4.4Å; I288-M557 HydrophobicContact CG2-SD 4.14Å; A289-M557 HydrophobicContact CB-CE 3.59Å; A289-M557 HydrophobicContact CB-SD 4.25Å; W292-M557 HydrophobicContact CB-SD 4.14Å; W292-M557 HydrophobicContact CG-CG 4.43Å; W292-M557 HydrophobicContact CG-SD 4.04Å; F527-M557 HydrophobicContact CB-CB 4.41Å; F527-M557 HydrophobicContact CD2-CB 3.51Å; F527-M557 HydrophobicContact CE2-CB 4.04Å; F527-M557 HydrophobicContact CG-CB 4.18Å; A553-M557 WeakPolarHBondContact O-CG 3.33Å; G554-M557 CarbonylContact O-C 3.56Å; G554-M557 WeakPolarHBondContact O-CA 3.46Å; G554-M557 WeakPolarHBondContact O-CB 3.19Å; G554-M557 PolarHBondContact O-N 3.2Å; I555-M557 VanDerWaalsContact C-N 3.3Å; I555-M557 PolarHBondContact O-N 3.31Å; M557-G561 PolarHBondContact O-N 2.99Å |
| 558 | N | 95.8 | Very high | 96.2 | Very high | 27 Ų | 27 | 37.8 Ų | 37.8 | 14% | 0.144 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -46.2 | 173.7 | -69.7 | 13.1 | 0 | 0 | 0 | 110.8 | E486 Y525 F527 S528 G554 I555 G561 G562 | E486-N558 PolarHBondContact OE1-ND2 3.44Å; Y525-N558 PolarHBondContact O-OD1 2.9Å; F527-N558 VanDerWaalsContact CB-OD1 3.29Å; F527-N558 WeakPolarHBondContact CB-OD1 3.31Å; F527-N558 WeakPolarHBondContact CD2-OD1 3.43Å; F527-N558 PolarHBondContact N-OD1 3.13Å; S528-N558 PolarHBondContact OG-ND2 3.4Å; S528-N558 VanDerWaalsContact OG-ND2 3.13Å; G554-N558 PolarHBondContact O-N 2.86Å; G554-N558 PolarHBondContact O-OD1 3.5Å; I555-N558 PolarHBondContact O-N 2.82Å; N558-G561 PolarHBondContact O-N 3.19Å; N558-G562 PolarHBondContact O-N 3.05Å |
| 559 | M | 95.3 | Very high | 96.2 | Very high | 100 Ų | 100 | 32.9 Ų | 32.9 | 49% | 0.493 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.8 | -49 | 179.9 | -67 | -177.8 | 78.4 | 0 | 0 | 111.6 | I555 P556 G561 G562 L563 | I555-M559 HydrophobicContact CG2-SD 4.35Å; I555-M559 WeakPolarHBondContact O-CG 3.43Å; I555-M559 PolarHBondContact O-N 3.2Å; I555-M559 VanDerWaalsContact O-N 3.14Å; P556-M559 PolarHBondContact O-N 3.42Å; M559-G561 VanDerWaalsContact C-N 3.31Å; M559-G561 PolarHBondContact O-N 3.47Å; M559-G562 PolarHBondContact O-N 3.4Å; M559-L563 WeakPolarHBondContact O-CG 3.34Å; M559-L563 PolarHBondContact O-N 3.02Å |
| 560 | I | 96.4 | Very high | 96.1 | Very high | 60 Ų | 60 | 34.1 Ų | 34.1 | 31% | 0.308 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.7 | -41.6 | 178.3 | -64.8 | 163.1 | 0 | 0 | 0 | 110.3 | M285 I288 P556 L563 A564 | M285-I560 HydrophobicContact SD-CG2 4.23Å; I288-I560 HydrophobicContact CG2-CD1 4.31Å; I288-I560 HydrophobicContact CG2-CG2 3.98Å; P556-I560 WeakPolarHBondContact O-CB 3.47Å; P556-I560 WeakPolarHBondContact O-CD1 3.45Å; P556-I560 WeakPolarHBondContact O-CG1 3.24Å; P556-I560 PolarHBondContact O-N 3.18Å; I560-L563 PolarHBondContact O-N 2.66Å; I560-A564 WeakPolarHBondContact O-CB 3.44Å; I560-A564 PolarHBondContact O-N 2.94Å |
| 561 | G | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -45.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | M285 M557 N558 M559 A564 A565 | M285-G561 VanDerWaalsContact SD-CA 3.59Å; M557-G561 PolarHBondContact O-N 2.99Å; N558-G561 PolarHBondContact O-N 3.19Å; M559-G561 VanDerWaalsContact C-N 3.31Å; M559-G561 PolarHBondContact O-N 3.47Å; G561-A564 PolarHBondContact O-N 2.95Å; G561-A565 WeakPolarHBondContact O-CB 3.49Å; G561-A565 PolarHBondContact O-N 3.35Å |
| 562 | G | 96 | Very high | 96 | Very high | 2 Ų | 2 | 38 Ų | 38 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.1 | -48 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N558 M559 A564 A565 I566 | N558-G562 PolarHBondContact O-N 3.05Å; M559-G562 PolarHBondContact O-N 3.4Å; G562-A564 PolarHBondContact O-N 2.88Å; G562-A565 PolarHBondContact O-N 3.3Å; G562-I566 VanDerWaalsContact O-CG1 3.31Å; G562-I566 WeakPolarHBondContact O-CG1 3.25Å; G562-I566 PolarHBondContact O-N 2.97Å |
| 563 | L | 95.9 | Very high | 96 | Very high | 91 Ų | 91 | 32.5 Ų | 32.5 | 48% | 0.476 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -64.1 | -39.5 | 177.7 | -68.1 | 175.3 | 0 | 0 | 0 | 112.5 | M559 I560 A565 I566 A567 | M559-L563 WeakPolarHBondContact O-CG 3.34Å; M559-L563 PolarHBondContact O-N 3.02Å; I560-L563 PolarHBondContact O-N 2.66Å; L563-A565 VanDerWaalsContact C-N 3.33Å; L563-A565 PolarHBondContact O-N 2.9Å; L563-I566 PolarHBondContact O-N 3.22Å; L563-A567 WeakPolarHBondContact O-CB 3.49Å; L563-A567 PolarHBondContact O-N 3.21Å |
| 564 | A | 97.2 | Very high | 95.8 | Very high | 12 Ų | 12 | 36.6 Ų | 36.6 | 10% | 0.099 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L281 F284 M285 I560 G561 G562 A567 A568 | L281-A564 HydrophobicContact CD1-CB 3.66Å; F284-A564 HydrophobicContact CD1-CB 4.01Å; F284-A564 HydrophobicContact CE1-CB 3.76Å; M285-A564 HydrophobicContact SD-CB 3.87Å; I560-A564 WeakPolarHBondContact O-CB 3.44Å; I560-A564 PolarHBondContact O-N 2.94Å; G561-A564 PolarHBondContact O-N 2.95Å; G562-A564 PolarHBondContact O-N 2.88Å; A564-A567 PolarHBondContact O-N 3.05Å; A564-A568 WeakPolarHBondContact O-CB 3.06Å; A564-A568 PolarHBondContact O-N 3.21Å |
| 565 | A | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66 | -40.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L281 P518 V521 G561 G562 L563 A568 V569 | L281-A565 HydrophobicContact CD2-CB 3.98Å; P518-A565 HydrophobicContact CB-CB 3.87Å; V521-A565 HydrophobicContact CB-CB 3.97Å; V521-A565 HydrophobicContact CG1-CB 3.87Å; G561-A565 WeakPolarHBondContact O-CB 3.49Å; G561-A565 PolarHBondContact O-N 3.35Å; G562-A565 PolarHBondContact O-N 3.3Å; L563-A565 VanDerWaalsContact C-N 3.33Å; L563-A565 PolarHBondContact O-N 2.9Å; A565-A568 PolarHBondContact O-N 2.98Å; A565-V569 PolarHBondContact O-N 3.49Å |
| 566 | I | 96.8 | Very high | 95.3 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.1 | -42.3 | 174.2 | -63.8 | 166.6 | 0 | 0 | 0 | 110.8 | I475 T478 P518 G562 L563 V569 S570 | I475-I566 HydrophobicContact CB-CD1 4.29Å; I475-I566 HydrophobicContact CG1-CD1 3.75Å; T478-I566 HydrophobicContact CG2-CD1 4.3Å; T478-I566 HydrophobicContact CG2-CG1 4.41Å; P518-I566 HydrophobicContact CB-CG1 3.89Å; P518-I566 HydrophobicContact CG-CG1 4.45Å; G562-I566 VanDerWaalsContact O-CG1 3.31Å; G562-I566 WeakPolarHBondContact O-CG1 3.25Å; G562-I566 PolarHBondContact O-N 2.97Å; L563-I566 PolarHBondContact O-N 3.22Å; I566-V569 PolarHBondContact O-N 3.06Å; I566-S570 WeakPolarHBondContact O-CB 3.2Å; I566-S570 PolarHBondContact O-N 3.31Å; I566-S570 PolarHBondContact O-OG 3.44Å |
| 567 | A | 96.4 | Very high | 95.1 | Very high | 55 Ų | 55 | 40.7 Ų | 40.7 | 46% | 0.455 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.8 | -41.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L563 A564 V569 S570 S571 | L563-A567 WeakPolarHBondContact O-CB 3.49Å; L563-A567 PolarHBondContact O-N 3.21Å; A564-A567 PolarHBondContact O-N 3.05Å; A567-V569 PolarHBondContact O-N 3.47Å; A567-S570 PolarHBondContact O-N 2.85Å; A567-S571 VanDerWaalsContact O-CB 3.29Å; A567-S571 WeakPolarHBondContact O-CB 3.45Å; A567-S571 PolarHBondContact O-N 2.99Å; A567-S571 PolarHBondContact O-OG 3.28Å |
| 568 | A | 96.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -59.7 | -46.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y277 L281 A564 A565 S570 S571 Y572 A573 | Y277-A568 HydrophobicContact CE2-CB 3.87Å; L281-A568 HydrophobicContact CD1-CB 4.39Å; L281-A568 HydrophobicContact CD2-CB 4.35Å; A564-A568 WeakPolarHBondContact O-CB 3.06Å; A564-A568 PolarHBondContact O-N 3.21Å; A565-A568 PolarHBondContact O-N 2.98Å; A568-S570 VanDerWaalsContact C-N 3.33Å; A568-S570 PolarHBondContact O-N 2.88Å; A568-S571 PolarHBondContact O-N 3.38Å; A568-S571 PolarHBondContact O-OG 2.92Å; A568-Y572 HydrophobicContact CB-CE1 3.6Å; A568-Y572 WeakPolarHBondContact CB-OH 3.45Å; A568-Y572 PolarHBondContact O-N 3.29Å; A568-A573 WeakPolarHBondContact O-CB 3.4Å; A568-A573 PolarHBondContact O-N 3.41Å; A568-A573 VanDerWaalsContact O-N 3.1Å |
| 569 | V | 95.8 | Very high | 94.5 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 175.9 | 167.5 | 0 | 0 | 0 | 0 | 112.5 | Y277 L514 F517 A565 I566 A567 S571 A573 R574 L579 | Y277-V569 HydrophobicContact CE2-CG2 3.73Å; L514-V569 HydrophobicContact CD2-CG1 3.94Å; F517-V569 HydrophobicContact CB-CG2 3.75Å; F517-V569 HydrophobicContact CD2-CG2 4.2Å; F517-V569 HydrophobicContact CG-CG2 4.49Å; A565-V569 PolarHBondContact O-N 3.49Å; I566-V569 PolarHBondContact O-N 3.06Å; A567-V569 PolarHBondContact O-N 3.47Å; V569-S571 VanDerWaalsContact C-N 3.28Å; V569-S571 PolarHBondContact O-N 2.88Å; V569-A573 HydrophobicContact CG2-CB 4.47Å; V569-R574 WeakPolarHBondContact O-CG 3.42Å; V569-L579 HydrophobicContact CG1-CD1 3.9Å |
| 570 | S | 92.9 | Very high | 94 | Very high | 53 Ų | 53 | 41.9 Ų | 41.9 | 37% | 0.371 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -76 | -14.5 | -178.6 | -60.4 | 0 | 0 | 0 | 0 | 114 | I566 A567 A568 R574 | I566-S570 WeakPolarHBondContact O-CB 3.2Å; I566-S570 PolarHBondContact O-N 3.31Å; I566-S570 PolarHBondContact O-OG 3.44Å; A567-S570 PolarHBondContact O-N 2.85Å; A568-S570 VanDerWaalsContact C-N 3.33Å; A568-S570 PolarHBondContact O-N 2.88Å; S570-R574 VanDerWaalsContact O-CD 3.3Å; S570-R574 WeakPolarHBondContact O-CD 3.21Å; S570-R574 PolarHBondContact O-NE 3.43Å; S570-R574 VanDerWaalsContact O-NE 3.09Å |
| 571 | S | 94.3 | Very high | 93.5 | Very high | 65 Ų | 65 | 43.6 Ų | 43.6 | 46% | 0.455 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -97.2 | -176.6 | 58 | 0 | 0 | 0 | 0 | 111.8 | A567 A568 V569 R574 P575 | A567-S571 VanDerWaalsContact O-CB 3.29Å; A567-S571 WeakPolarHBondContact O-CB 3.45Å; A567-S571 PolarHBondContact O-N 2.99Å; A567-S571 PolarHBondContact O-OG 3.28Å; A568-S571 PolarHBondContact O-N 3.38Å; A568-S571 PolarHBondContact O-OG 2.92Å; V569-S571 VanDerWaalsContact C-N 3.28Å; V569-S571 PolarHBondContact O-N 2.88Å; S571-R574 PolarHBondContact O-N 2.99Å; S571-P575 WeakPolarHBondContact O-CD 3.11Å |
| 572 | Y | 95.4 | Very high | 92.9 | Very high | 78 Ų | 78 | 46.1 Ų | 46.1 | 31% | 0.306 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -19.9 | -170.4 | 65.9 | -93.4 | 0 | 0 | 0 | 113.6 | Y277 P280 L281 A568 R574 P575 L576 | Y277-Y572 HydrophobicContact CD2-CE2 4.23Å; Y277-Y572 WeakPolarHBondContact O-CE2 3.3Å; Y277-Y572 PolarHBondContact O-OH 3.25Å; P280-Y572 HydrophobicContact CG-CE2 4.48Å; L281-Y572 PolarHBondContact N-OH 3.13Å; A568-Y572 HydrophobicContact CB-CE1 3.6Å; A568-Y572 WeakPolarHBondContact CB-OH 3.45Å; A568-Y572 PolarHBondContact O-N 3.29Å; Y572-R574 VanDerWaalsContact C-N 3.3Å; Y572-R574 PolarHBondContact O-N 2.82Å; Y572-P575 VanDerWaalsContact O-CD 3.31Å; Y572-P575 WeakPolarHBondContact O-CD 3.28Å; Y572-P575 WeakPolarHBondContact O-CG 3.49Å; Y572-L576 WeakPolarHBondContact O-CB 3.46Å |
| 573 | A | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.6 | -25.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y277 A568 V569 L576 F577 L579 | Y277-A573 HydrophobicContact CD2-CB 3.78Å; Y277-A573 HydrophobicContact CE2-CB 4.12Å; A568-A573 WeakPolarHBondContact O-CB 3.4Å; A568-A573 PolarHBondContact O-N 3.41Å; A568-A573 VanDerWaalsContact O-N 3.1Å; V569-A573 HydrophobicContact CG2-CB 4.47Å; A573-L576 PolarHBondContact O-N 3.36Å; A573-F577 PolarHBondContact O-N 3.37Å; A573-L579 HydrophobicContact CB-CD1 3.98Å |
| 574 | R | 92.8 | Very high | 91.5 | Very high | 86 Ų | 86 | 47.2 Ų | 47.2 | 33% | 0.325 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -56.5 | -55.6 | 178.4 | -70.4 | -173.1 | 177.4 | -109.6 | -1.9 | 112.7 | V569 S570 S571 Y572 L576 G578 L579 N580 | V569-R574 WeakPolarHBondContact O-CG 3.42Å; S570-R574 VanDerWaalsContact O-CD 3.3Å; S570-R574 WeakPolarHBondContact O-CD 3.21Å; S570-R574 PolarHBondContact O-NE 3.43Å; S570-R574 VanDerWaalsContact O-NE 3.09Å; S571-R574 PolarHBondContact O-N 2.99Å; Y572-R574 VanDerWaalsContact C-N 3.3Å; Y572-R574 PolarHBondContact O-N 2.82Å; R574-L576 VanDerWaalsContact C-N 3.33Å; R574-G578 CarbonylContact O-C 3.57Å; R574-G578 VanDerWaalsContact O-CA 3.26Å; R574-G578 WeakPolarHBondContact O-CA 3.27Å; R574-G578 PolarHBondContact O-N 2.82Å; R574-L579 HydrophobicContact CG-CB 4.34Å; R574-L579 PolarHBondContact O-N 3.42Å; R574-N580 WeakPolarHBondContact CD-OD1 3.3Å; R574-N580 PolarHBondContact NH1-OD1 3.13Å |
| 575 | P | 91.4 | Very high | 90.8 | Very high | 106 Ų | 106 | 47.8 Ų | 47.8 | 69% | 0.688 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -68.9 | -31 | 175.9 | 26.7 | -35.1 | 0 | 0 | 0 | 112.6 | S571 Y572 F577 | S571-P575 WeakPolarHBondContact O-CD 3.11Å; Y572-P575 VanDerWaalsContact O-CD 3.31Å; Y572-P575 WeakPolarHBondContact O-CD 3.28Å; Y572-P575 WeakPolarHBondContact O-CG 3.49Å; P575-F577 PolarHBondContact O-N 2.84Å |
| 576 | L | 90.7 | Very high | 90 | Very high | 74 Ų | 74 | 47.8 Ų | 47.8 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.9 | -38.4 | -178.2 | -176.6 | 61.4 | 0 | 0 | 0 | 113 | A276 Y572 A573 R574 | A276-L576 HydrophobicContact CB-CD1 4.41Å; A276-L576 HydrophobicContact CB-CD2 3.96Å; Y572-L576 WeakPolarHBondContact O-CB 3.46Å; A573-L576 PolarHBondContact O-N 3.36Å; R574-L576 VanDerWaalsContact C-N 3.33Å |
| 577 | F | 91.5 | Very high | 88.5 | Confident | 27 Ų | 27 | 53 Ų | 53 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -115.5 | 1.3 | -177.4 | -70.3 | -85 | 0 | 0 | 0 | 114.2 | L269 F513 F517 A573 P575 L579 | L269-F577 HydrophobicContact CD1-CE1 4.29Å; L269-F577 HydrophobicContact CD1-CZ 4.4Å; F513-F577 HydrophobicContact CD2-CB 4.35Å; F513-F577 AromaticContact CD2-CD1 3.8Å; F513-F577 HydrophobicContact CD2-CD1 3.8Å; F513-F577 HydrophobicContact CD2-CE1 4.34Å; F513-F577 HydrophobicContact CD2-CG 4.14Å; F513-F577 AromaticContact CE2-CD1 3.78Å; F513-F577 HydrophobicContact CE2-CD1 3.78Å; F513-F577 HydrophobicContact CE2-CE1 4.13Å; F517-F577 AromaticContact CE2-CD2 3.79Å; F517-F577 HydrophobicContact CE2-CD2 3.79Å; F517-F577 HydrophobicContact CE2-CE1 4.35Å; F517-F577 AromaticContact CE2-CE2 3.53Å; F517-F577 HydrophobicContact CE2-CE2 3.53Å; F517-F577 HydrophobicContact CE2-CG 4.3Å; F517-F577 AromaticContact CE2-CZ 3.83Å; F517-F577 HydrophobicContact CE2-CZ 3.83Å; F517-F577 HydrophobicContact CZ-CD1 4.37Å; F517-F577 HydrophobicContact CZ-CD2 4.36Å; F517-F577 HydrophobicContact CZ-CE1 4.01Å; F517-F577 HydrophobicContact CZ-CE2 4.01Å; F517-F577 AromaticContact CZ-CZ 3.81Å; F517-F577 HydrophobicContact CZ-CZ 3.81Å; A573-F577 PolarHBondContact O-N 3.37Å; P575-F577 PolarHBondContact O-N 2.84Å; F577-L579 HydrophobicContact CB-CD2 3.49Å; F577-L579 VanDerWaalsContact CB-CD2 3.49Å; F577-L579 HydrophobicContact CB-CG 3.86Å; F577-L579 HydrophobicContact CG-CD2 4.49Å |
| 578 | G | 89 | Confident | 86.8 | Confident | 35 Ų | 35 | 54.3 Ų | 54.3 | 36% | 0.361 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.7 | 36.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R574 N580 T581 | R574-G578 CarbonylContact O-C 3.57Å; R574-G578 VanDerWaalsContact O-CA 3.26Å; R574-G578 WeakPolarHBondContact O-CA 3.27Å; R574-G578 PolarHBondContact O-N 2.82Å; G578-N580 PolarHBondContact O-N 3.38Å; G578-T581 PolarHBondContact O-N 3.31Å; G578-T581 PolarHBondContact O-OG1 3.29Å |
| 579 | L | 89.9 | Confident | 85.1 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -6.9 | -169.4 | -54.3 | -179.6 | 0 | 0 | 0 | 115.4 | H511 F513 L514 V569 A573 R574 F577 T581 | H511-L579 VanDerWaalsContact CE1-CD2 3.48Å; H511-L579 WeakPolarHBondContact CE1-CD2 3.42Å; H511-L579 WeakPolarHBondContact ND1-CD2 3.47Å; F513-L579 HydrophobicContact CB-CD2 3.8Å; F513-L579 HydrophobicContact CD2-CD2 4.32Å; L514-L579 HydrophobicContact CD2-CB 3.84Å; L514-L579 HydrophobicContact CD2-CD1 4.1Å; L514-L579 HydrophobicContact CG-CB 4.28Å; V569-L579 HydrophobicContact CG1-CD1 3.9Å; A573-L579 HydrophobicContact CB-CD1 3.98Å; R574-L579 HydrophobicContact CG-CB 4.34Å; R574-L579 PolarHBondContact O-N 3.42Å; F577-L579 HydrophobicContact CB-CD2 3.49Å; F577-L579 VanDerWaalsContact CB-CD2 3.49Å; F577-L579 HydrophobicContact CB-CG 3.86Å; F577-L579 HydrophobicContact CG-CD2 4.49Å; L579-T581 VanDerWaalsContact C-N 3.32Å |
| 580 | N | 85.9 | Confident | 83.2 | Confident | 112 Ų | 112 | 57.3 Ų | 57.3 | 60% | 0.599 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -20.5 | 179.4 | -69.2 | -26.8 | 0 | 0 | 0 | 113 | R574 G578 | R574-N580 WeakPolarHBondContact CD-OD1 3.3Å; R574-N580 PolarHBondContact NH1-OD1 3.13Å; G578-N580 PolarHBondContact O-N 3.38Å |
| 581 | T | 85.8 | Confident | 80.7 | Confident | 97 Ų | 97 | 61.4 Ų | 61.4 | 60% | 0.595 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -118 | 150.3 | -176.4 | 56.5 | 0 | 0 | 0 | 0 | 110.5 | G578 L579 P583 | G578-T581 PolarHBondContact O-N 3.31Å; G578-T581 PolarHBondContact O-OG1 3.29Å; L579-T581 VanDerWaalsContact C-N 3.32Å; T581-P583 WeakPolarHBondContact O-CD 3.24Å |
| 582 | V | 83.7 | Confident | 78 | Confident | 52 Ų | 52 | 64 Ų | 64 | 32% | 0.315 | 36% | 0.357 | S | S | . | . | trans | -72.4 | 117.4 | 170.1 | 178.1 | 0 | 0 | 0 | 0 | 107.7 | V509 L586 | V509-V582 HydrophobicContact CG1-CG1 4.27Å; V509-V582 HydrophobicContact CG1-CG2 4.42Å; V509-V582 WeakPolarHBondContact O-CG2 3.3Å; V582-L586 HydrophobicContact CG1-CB 4.26Å; V582-L586 HydrophobicContact CG1-CD2 3.87Å | ||
| 583 | P | 82.5 | Confident | 75 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 11% | 0.11 | 37% | 0.367 | C | S | . | . | trans | -71.3 | 151.6 | -174.9 | 26.3 | -29 | 0 | 0 | 0 | 111 | T581 W585 L586 | T581-P583 WeakPolarHBondContact O-CD 3.24Å; P583-W585 VanDerWaalsContact C-N 3.25Å; P583-W585 HydrophobicContact CB-CD2 3.81Å; P583-W585 HydrophobicContact CB-CG 4.12Å; P583-W585 HydrophobicContact CB-CH2 4.41Å; P583-W585 HydrophobicContact CB-CZ2 3.69Å; P583-W585 VanDerWaalsContact CB-NE1 3.33Å; P583-W585 HydrophobicContact CG-CD2 3.73Å; P583-W585 HydrophobicContact CG-CE3 3.99Å; P583-W585 HydrophobicContact CG-CH2 3.48Å; P583-W585 VanDerWaalsContact CG-CH2 3.48Å; P583-W585 HydrophobicContact CG-CZ2 3.2Å; P583-W585 HydrophobicContact CG-CZ3 3.87Å; P583-W585 PolarHBondContact O-N 2.93Å; P583-L586 HydrophobicContact CG-CB 3.99Å; P583-L586 WeakPolarHBondContact O-CB 3.37Å; P583-L586 PolarHBondContact O-N 3.11Å | ||
| 584 | S | 79.9 | Confident | 71.7 | Confident | 99 Ų | 99 | 72 Ų | 72 | 69% | 0.692 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.4 | -34.7 | -179 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | L586 K587 S588 | S584-L586 PolarHBondContact O-N 2.92Å; S584-K587 WeakPolarHBondContact O-CB 3.49Å; S584-K587 PolarHBondContact O-N 3.4Å; S584-K587 VanDerWaalsContact O-N 3.16Å; S584-S588 PolarHBondContact O-N 3.34Å |
| 585 | W | 83.4 | Confident | 68.6 | Low | 25 Ų | 25 | 76.8 Ų | 76.8 | 10% | 0.095 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -68.7 | -18.5 | 176.8 | 52.7 | -109 | 0 | 0 | 0 | 113.9 | Y263 T267 H511 P512 P583 S588 | Y263-W585 AromaticContact CD1-CE3 3.73Å; Y263-W585 HydrophobicContact CD1-CE3 3.73Å; Y263-W585 AromaticContact CD1-CZ3 3.69Å; Y263-W585 HydrophobicContact CD1-CZ3 3.69Å; Y263-W585 HydrophobicContact CD2-CE3 4.49Å; Y263-W585 AromaticContact CD2-CZ3 3.93Å; Y263-W585 HydrophobicContact CD2-CZ3 3.93Å; Y263-W585 HydrophobicContact CE1-CE3 4.47Å; Y263-W585 HydrophobicContact CE1-CZ3 4.07Å; Y263-W585 HydrophobicContact CE2-CZ3 4.28Å; Y263-W585 AromaticContact CG-CE3 3.75Å; Y263-W585 HydrophobicContact CG-CE3 3.75Å; Y263-W585 AromaticContact CG-CZ3 3.61Å; Y263-W585 HydrophobicContact CG-CZ3 3.61Å; T267-W585 HydrophobicContact CG2-CD2 4.08Å; T267-W585 HydrophobicContact CG2-CE3 4.19Å; T267-W585 HydrophobicContact CG2-CH2 4.24Å; T267-W585 HydrophobicContact CG2-CZ2 4.08Å; T267-W585 HydrophobicContact CG2-CZ3 4.29Å; H511-W585 AromaticContact CE1-CH2 3.92Å; H511-W585 AromaticContact CE1-CZ2 3.85Å; H511-W585 AromaticContact NE2-CZ2 3.61Å; P512-W585 HydrophobicContact CG-CH2 3.6Å; P512-W585 HydrophobicContact CG-CZ3 3.82Å; P583-W585 VanDerWaalsContact C-N 3.25Å; P583-W585 HydrophobicContact CB-CD2 3.81Å; P583-W585 HydrophobicContact CB-CG 4.12Å; P583-W585 HydrophobicContact CB-CH2 4.41Å; P583-W585 HydrophobicContact CB-CZ2 3.69Å; P583-W585 VanDerWaalsContact CB-NE1 3.33Å; P583-W585 HydrophobicContact CG-CD2 3.73Å; P583-W585 HydrophobicContact CG-CE3 3.99Å; P583-W585 HydrophobicContact CG-CH2 3.48Å; P583-W585 VanDerWaalsContact CG-CH2 3.48Å; P583-W585 HydrophobicContact CG-CZ2 3.2Å; P583-W585 HydrophobicContact CG-CZ3 3.87Å; P583-W585 PolarHBondContact O-N 2.93Å; W585-S588 PolarHBondContact O-OG 2.97Å |
| 586 | L | 79.8 | Confident | 67.5 | Low | 0 Ų | 0 | 75.3 Ų | 75.3 | 0% | 0 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -77.1 | -32.9 | 172.5 | -169.7 | 65.6 | 0 | 0 | 0 | 110.9 | Y263 E506 V510 V582 P583 S584 S588 V589 T590 | Y263-L586 HydrophobicContact CD1-CD1 4.22Å; Y263-L586 HydrophobicContact CE1-CD1 3.47Å; Y263-L586 VanDerWaalsContact CE1-CD1 3.47Å; E506-L586 HydrophobicContact CG-CD1 3.94Å; V510-L586 VanDerWaalsContact O-CD2 3.3Å; V510-L586 WeakPolarHBondContact O-CD2 3.35Å; V582-L586 HydrophobicContact CG1-CB 4.26Å; V582-L586 HydrophobicContact CG1-CD2 3.87Å; P583-L586 HydrophobicContact CG-CB 3.99Å; P583-L586 WeakPolarHBondContact O-CB 3.37Å; P583-L586 PolarHBondContact O-N 3.11Å; S584-L586 PolarHBondContact O-N 2.92Å; L586-S588 VanDerWaalsContact C-N 3.32Å; L586-S588 PolarHBondContact O-N 3.2Å; L586-V589 PolarHBondContact O-N 3.28Å; L586-T590 PolarHBondContact O-N 3.15Å; L586-T590 PolarHBondContact O-OG1 3.2Å |
| 587 | K | 65.9 | Low | 66.3 | Low | 122 Ų | 122 | 75.4 Ų | 75.4 | 53% | 0.53 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.1 | -33.2 | 178.4 | -61 | -175.9 | 179.6 | -178 | 0 | 112.4 | S584 V589 T590 N591 | S584-K587 WeakPolarHBondContact O-CB 3.49Å; S584-K587 PolarHBondContact O-N 3.4Å; S584-K587 VanDerWaalsContact O-N 3.16Å; K587-V589 VanDerWaalsContact C-N 3.27Å; K587-V589 PolarHBondContact O-N 2.98Å; K587-T590 WeakPolarHBondContact CA-OG1 3.34Å; K587-T590 PolarHBondContact O-N 3.01Å; K587-T590 PolarHBondContact O-OG1 2.88Å; K587-N591 PolarHBondContact O-N 3.29Å; K587-N591 VanDerWaalsContact O-N 3.16Å |
| 588 | S | 59.4 | Low | 64.9 | Low | 82 Ų | 82 | 78.1 Ų | 78.1 | 57% | 0.573 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -67.2 | -26.3 | 176.7 | 48.7 | 0 | 0 | 0 | 0 | 113.6 | S584 W585 L586 | S584-S588 PolarHBondContact O-N 3.34Å; W585-S588 PolarHBondContact O-OG 2.97Å; L586-S588 VanDerWaalsContact C-N 3.32Å; L586-S588 PolarHBondContact O-N 3.2Å |
| 589 | V | 62.8 | Low | 63.4 | Low | 41 Ų | 41 | 80.6 Ų | 80.6 | 25% | 0.248 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -85.3 | -37.6 | 177.2 | -177.2 | 0 | 0 | 0 | 0 | 111.3 | Y263 L586 K587 | Y263-V589 HydrophobicContact CD1-CG2 3.95Å; Y263-V589 HydrophobicContact CE1-CG2 4.4Å; L586-V589 PolarHBondContact O-N 3.28Å; K587-V589 VanDerWaalsContact C-N 3.27Å; K587-V589 PolarHBondContact O-N 2.98Å |
| 590 | T | 54.6 | Low | 61.8 | Low | 28 Ų | 28 | 85.4 Ų | 85.4 | 17% | 0.172 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -76 | -24.6 | -177.5 | 37.1 | 0 | 0 | 0 | 0 | 114.1 | E506 L586 K587 I592 T593 | E506-T590 HydrophobicContact CB-CG2 4.27Å; L586-T590 PolarHBondContact O-N 3.15Å; L586-T590 PolarHBondContact O-OG1 3.2Å; K587-T590 WeakPolarHBondContact CA-OG1 3.34Å; K587-T590 PolarHBondContact O-N 3.01Å; K587-T590 PolarHBondContact O-OG1 2.88Å; T590-I592 PolarHBondContact O-N 2.94Å; T590-T593 PolarHBondContact O-N 2.79Å; T590-T593 PolarHBondContact O-OG1 2.9Å |
| 591 | N | 41.3 | Very low | 60.2 | Low | 139 Ų | 139 | 83.6 Ų | 83.6 | 74% | 0.743 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 5.8 | 175.7 | -87.8 | -0.3 | 0 | 0 | 0 | 115.4 | K587 | K587-N591 PolarHBondContact O-N 3.29Å; K587-N591 VanDerWaalsContact O-N 3.16Å |
| 592 | I | 37.2 | Very low | 58.4 | Low | 120 Ų | 120 | 82.6 Ų | 82.6 | 62% | 0.615 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | 0.6 | 168.5 | -58.5 | 173.9 | 0 | 0 | 0 | 111.9 | T590 | T590-I592 PolarHBondContact O-N 2.94Š|
| 593 | T | 32 | Very low | 56.4 | Low | 83 Ų | 83 | 85 Ų | 85 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -110 | 8.3 | -173.4 | 51 | 0 | 0 | 0 | 0 | 117.3 | T590 | T590-T593 PolarHBondContact O-N 2.79Å; T590-T593 PolarHBondContact O-OG1 2.9Å |
| 594 | N | 25.6 | Very low | 54.2 | Low | 163 Ų | 163 | 90.7 Ų | 90.7 | 87% | 0.872 | 52% | 0.516 | S | S | * | . | trans | -118.3 | 28.2 | 172.5 | -80.6 | -9.1 | 0 | 0 | 0 | 114 | ||||
| 595 | T | 28.8 | Very low | 51.9 | Low | 186 Ų | 186 | 89.9 Ų | 89.9 | 100% | 1.141 | 50% | 0.5 | S | S | * | . | trans | -127.9 | 0 | 164.3 | 57.4 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 595 of 595 residues in 923.2 ms
(Link to these results)