| 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 | 43.5 | Very low | 67 | Low | 243 Ų | 243 | 113.5 Ų | 113.5 | 100% | 1.197 | 62% | 0.618 | S | S | * | * | 0 | 93.4 | 0 | -68.1 | -164.6 | 174.9 | 0 | 0 | 107.6 | G3 | M1-G3 PolarHBondContact O-N 3.47Å; M1-G3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | L | 52.4 | Low | 68.5 | Low | 150 Ų | 150 | 107.3 Ų | 107.3 | 79% | 0.785 | 60% | 0.601 | S | S | * | * | trans | -68.4 | 106.9 | 172.9 | -79.8 | 144.3 | 0 | 0 | 0 | 106.1 | ||||
| 3 | G | 58.2 | Low | 69.6 | Low | 33 Ų | 33 | 105.5 Ų | 105.5 | 34% | 0.34 | 60% | 0.595 | S | S | . | * | trans | -61.1 | 170.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | M1 S5 H6 | M1-G3 PolarHBondContact O-N 3.47Å; M1-G3 VanDerWaalsContact O-N 3.1Å; G3-S5 PolarHBondContact O-N 2.97Å; G3-H6 PolarHBondContact O-N 3.3Å | ||
| 4 | P | 65.2 | Low | 70.8 | Confident | 102 Ų | 102 | 109.5 Ų | 109.5 | 66% | 0.662 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -54.9 | -12.3 | -173.2 | 19.5 | -32.3 | 0 | 0 | 0 | 115.1 | M8 | P4-M8 WeakPolarHBondContact O-CB 3.32Å; P4-M8 WeakPolarHBondContact O-CG 3.37Å; P4-M8 PolarHBondContact O-N 3.49Å |
| 5 | S | 64.7 | Low | 71.9 | Confident | 91 Ų | 91 | 108.4 Ų | 108.4 | 64% | 0.636 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.2 | -37.1 | 176.9 | 51.4 | 0 | 0 | 0 | 0 | 114.2 | G3 V9 | G3-S5 PolarHBondContact O-N 2.97Å; S5-V9 WeakPolarHBondContact O-CG2 3.32Å; S5-V9 PolarHBondContact O-N 3.34Å |
| 6 | H | 64.3 | Low | 72.6 | Confident | 103 Ų | 103 | 105.4 Ų | 105.4 | 48% | 0.477 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -78.2 | -37 | -178.5 | -167.3 | -92.9 | 0 | 0 | 0 | 112.4 | G3 V9 I10 | G3-H6 PolarHBondContact O-N 3.3Å; H6-V9 PolarHBondContact O-N 3Å; H6-I10 VanDerWaalsContact CE1-CD1 3.46Å; H6-I10 WeakPolarHBondContact CE1-CD1 3.36Å; H6-I10 VanDerWaalsContact ND1-CD1 3.33Å; H6-I10 WeakPolarHBondContact ND1-CD1 3.4Å; H6-I10 WeakPolarHBondContact O-CG1 3.44Å; H6-I10 PolarHBondContact O-N 3.28Å |
| 7 | E | 73 | Confident | 73.4 | Confident | 145 Ų | 145 | 105.3 Ų | 105.3 | 68% | 0.678 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.7 | -37 | 175.8 | -67.7 | -169.5 | 161.3 | 0 | 0 | 112.2 | I10 L11 | E7-I10 PolarHBondContact O-N 2.88Å; E7-L11 WeakPolarHBondContact O-CB 3.48Å; E7-L11 PolarHBondContact O-N 2.95Å |
| 8 | M | 74.5 | Confident | 74.1 | Confident | 133 Ų | 133 | 105.8 Ų | 105.8 | 66% | 0.655 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.8 | -38.3 | 175.3 | -69.9 | -68.3 | -163.2 | 0 | 0 | 112.4 | P4 L11 G12 | P4-M8 WeakPolarHBondContact O-CB 3.32Å; P4-M8 WeakPolarHBondContact O-CG 3.37Å; P4-M8 PolarHBondContact O-N 3.49Å; M8-L11 PolarHBondContact O-N 3.16Å; M8-G12 PolarHBondContact O-N 2.88Å |
| 9 | V | 78 | Confident | 74.8 | Confident | 95 Ų | 95 | 103.6 Ų | 103.6 | 58% | 0.576 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.7 | -40.1 | 175.2 | 175 | 0 | 0 | 0 | 0 | 111.2 | S5 H6 G12 T13 | S5-V9 WeakPolarHBondContact O-CG2 3.32Å; S5-V9 PolarHBondContact O-N 3.34Å; H6-V9 PolarHBondContact O-N 3Å; V9-G12 PolarHBondContact O-N 3.23Å; V9-T13 WeakPolarHBondContact O-CG2 3.38Å; V9-T13 PolarHBondContact O-N 2.75Å; V9-T13 PolarHBondContact O-OG1 3.15Å |
| 10 | I | 81.6 | Confident | 75.4 | Confident | 58 Ų | 58 | 104.7 Ų | 104.7 | 30% | 0.297 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.8 | -42.2 | 173.8 | -67.9 | 167.6 | 0 | 0 | 0 | 111.1 | H6 E7 T13 R14 | H6-I10 VanDerWaalsContact CE1-CD1 3.46Å; H6-I10 WeakPolarHBondContact CE1-CD1 3.36Å; H6-I10 VanDerWaalsContact ND1-CD1 3.33Å; H6-I10 WeakPolarHBondContact ND1-CD1 3.4Å; H6-I10 WeakPolarHBondContact O-CG1 3.44Å; H6-I10 PolarHBondContact O-N 3.28Å; E7-I10 PolarHBondContact O-N 2.88Å; I10-T13 WeakPolarHBondContact CA-OG1 3.42Å; I10-T13 PolarHBondContact O-N 3.1Å; I10-T13 PolarHBondContact O-OG1 3.21Å; I10-R14 HydrophobicContact CG2-CG 4.31Å; I10-R14 WeakPolarHBondContact O-CB 3.46Å; I10-R14 VanDerWaalsContact O-CG 3.28Å; I10-R14 WeakPolarHBondContact O-CG 3.39Å; I10-R14 PolarHBondContact O-N 2.96Å |
| 11 | L | 82 | Confident | 75.9 | Confident | 95 Ų | 95 | 103.3 Ų | 103.3 | 50% | 0.497 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.4 | -45.3 | 178.2 | -174.6 | 66.2 | 0 | 0 | 0 | 111.1 | E7 M8 T13 R14 I15 | E7-L11 WeakPolarHBondContact O-CB 3.48Å; E7-L11 PolarHBondContact O-N 2.95Å; M8-L11 PolarHBondContact O-N 3.16Å; L11-T13 PolarHBondContact O-N 2.9Å; L11-R14 PolarHBondContact O-N 3.38Å; L11-I15 HydrophobicContact CD1-CD1 4.39Å; L11-I15 HydrophobicContact CG-CD1 4.01Å; L11-I15 VanDerWaalsContact O-CG1 3.3Å; L11-I15 WeakPolarHBondContact O-CG1 3.23Å; L11-I15 PolarHBondContact O-N 3.09Å |
| 12 | G | 84.9 | Confident | 78 | Confident | 40 Ų | 40 | 94.7 Ų | 94.7 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M8 V9 I15 A16 | M8-G12 PolarHBondContact O-N 2.88Å; V9-G12 PolarHBondContact O-N 3.23Å; G12-I15 PolarHBondContact O-N 2.86Å; G12-A16 WeakPolarHBondContact O-CB 3.35Å; G12-A16 PolarHBondContact O-N 3.24Å |
| 13 | T | 83.2 | Confident | 79.6 | Confident | 84 Ų | 84 | 97 Ų | 97 | 52% | 0.515 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 176.3 | 52 | 0 | 0 | 0 | 0 | 112.4 | V9 I10 L11 A16 L17 | V9-T13 WeakPolarHBondContact O-CG2 3.38Å; V9-T13 PolarHBondContact O-N 2.75Å; V9-T13 PolarHBondContact O-OG1 3.15Å; I10-T13 WeakPolarHBondContact CA-OG1 3.42Å; I10-T13 PolarHBondContact O-N 3.1Å; I10-T13 PolarHBondContact O-OG1 3.21Å; L11-T13 PolarHBondContact O-N 2.9Å; T13-A16 PolarHBondContact O-N 3.49Å; T13-L17 WeakPolarHBondContact O-CB 3.5Å; T13-L17 PolarHBondContact O-N 2.69Å |
| 14 | R | 85.5 | Confident | 80.8 | Confident | 161 Ų | 161 | 100.9 Ų | 100.9 | 61% | 0.608 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.7 | -46 | 173.7 | -75.5 | 175.4 | 179.8 | 176.1 | 1.7 | 112.2 | I10 L11 A16 L17 I18 | I10-R14 HydrophobicContact CG2-CG 4.31Å; I10-R14 WeakPolarHBondContact O-CB 3.46Å; I10-R14 VanDerWaalsContact O-CG 3.28Å; I10-R14 WeakPolarHBondContact O-CG 3.39Å; I10-R14 PolarHBondContact O-N 2.96Å; L11-R14 PolarHBondContact O-N 3.38Å; R14-A16 VanDerWaalsContact C-N 3.32Å; R14-A16 PolarHBondContact O-N 2.84Å; R14-L17 PolarHBondContact O-N 3.32Å; R14-I18 VanDerWaalsContact O-CG1 3.25Å; R14-I18 WeakPolarHBondContact O-CG1 3.31Å; R14-I18 PolarHBondContact O-N 2.94Å |
| 15 | I | 87.3 | Confident | 81.9 | Confident | 93 Ų | 93 | 100.8 Ų | 100.8 | 48% | 0.477 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 176 | -67.3 | 167.9 | 0 | 0 | 0 | 109.9 | L11 G12 L17 I18 V19 | L11-I15 HydrophobicContact CD1-CD1 4.39Å; L11-I15 HydrophobicContact CG-CD1 4.01Å; L11-I15 VanDerWaalsContact O-CG1 3.3Å; L11-I15 WeakPolarHBondContact O-CG1 3.23Å; L11-I15 PolarHBondContact O-N 3.09Å; G12-I15 PolarHBondContact O-N 2.86Å; I15-L17 VanDerWaalsContact C-N 3.33Å; I15-L17 PolarHBondContact O-N 3.47Å; I15-I18 PolarHBondContact O-N 2.93Å; I15-V19 HydrophobicContact CG2-CG2 4.38Å; I15-V19 WeakPolarHBondContact O-CB 3.31Å; I15-V19 VanDerWaalsContact O-CG2 3.26Å; I15-V19 WeakPolarHBondContact O-CG2 3.37Å; I15-V19 PolarHBondContact O-N 3.39Å |
| 16 | A | 84.1 | Confident | 82.9 | Confident | 60 Ų | 60 | 97.9 Ų | 97.9 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G12 T13 R14 V19 F20 | G12-A16 WeakPolarHBondContact O-CB 3.35Å; G12-A16 PolarHBondContact O-N 3.24Å; T13-A16 PolarHBondContact O-N 3.49Å; R14-A16 VanDerWaalsContact C-N 3.32Å; R14-A16 PolarHBondContact O-N 2.84Å; A16-V19 PolarHBondContact O-N 3.35Å; A16-F20 WeakPolarHBondContact O-CB 3.45Å; A16-F20 PolarHBondContact O-N 2.86Å |
| 17 | L | 85 | Confident | 84.1 | Confident | 104 Ų | 104 | 97.1 Ų | 97.1 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.9 | -41.8 | 178.1 | -151.3 | 160 | 0 | 0 | 0 | 111.3 | T13 R14 I15 F20 L21 | T13-L17 WeakPolarHBondContact O-CB 3.5Å; T13-L17 PolarHBondContact O-N 2.69Å; R14-L17 PolarHBondContact O-N 3.32Å; I15-L17 VanDerWaalsContact C-N 3.33Å; I15-L17 PolarHBondContact O-N 3.47Å; L17-F20 PolarHBondContact O-N 2.86Å; L17-L21 HydrophobicContact CD2-CD1 3.47Å; L17-L21 VanDerWaalsContact CD2-CD1 3.47Å; L17-L21 HydrophobicContact CD2-CG 3.89Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 WeakPolarHBondContact O-CG 3.26Å; L17-L21 PolarHBondContact O-N 3.19Å |
| 18 | I | 86.2 | Confident | 84.9 | Confident | 114 Ų | 114 | 96.9 Ų | 96.9 | 59% | 0.585 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.5 | -45 | 173.6 | -67.4 | 163.7 | 0 | 0 | 0 | 110.5 | R14 I15 F20 L21 A22 | R14-I18 VanDerWaalsContact O-CG1 3.25Å; R14-I18 WeakPolarHBondContact O-CG1 3.31Å; R14-I18 PolarHBondContact O-N 2.94Å; I15-I18 PolarHBondContact O-N 2.93Å; I18-F20 VanDerWaalsContact C-N 3.32Å; I18-F20 PolarHBondContact O-N 3.26Å; I18-L21 PolarHBondContact O-N 3.42Å; I18-A22 VanDerWaalsContact O-CB 3.24Å; I18-A22 WeakPolarHBondContact O-CB 3.39Å; I18-A22 PolarHBondContact O-N 2.85Å |
| 19 | V | 87.3 | Confident | 85.5 | Confident | 64 Ų | 64 | 95.3 Ų | 95.3 | 39% | 0.388 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 177.4 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | I15 A16 R23 | I15-V19 HydrophobicContact CG2-CG2 4.38Å; I15-V19 WeakPolarHBondContact O-CB 3.31Å; I15-V19 VanDerWaalsContact O-CG2 3.26Å; I15-V19 WeakPolarHBondContact O-CG2 3.37Å; I15-V19 PolarHBondContact O-N 3.39Å; A16-V19 PolarHBondContact O-N 3.35Å; V19-R23 WeakPolarHBondContact O-CB 3.49Å; V19-R23 PolarHBondContact O-N 3.35Å |
| 20 | F | 87.1 | Confident | 86 | Confident | 126 Ų | 126 | 92.6 Ų | 92.6 | 55% | 0.553 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.2 | -46.4 | 175.7 | 179.8 | -97.3 | 0 | 0 | 0 | 112.1 | A16 L17 I18 R23 K24 | A16-F20 WeakPolarHBondContact O-CB 3.45Å; A16-F20 PolarHBondContact O-N 2.86Å; L17-F20 PolarHBondContact O-N 2.86Å; I18-F20 VanDerWaalsContact C-N 3.32Å; I18-F20 PolarHBondContact O-N 3.26Å; F20-R23 PolarHBondContact O-N 3.37Å; F20-K24 HydrophobicContact CE1-CD 4.13Å; F20-K24 HydrophobicContact CZ-CD 4.05Å; F20-K24 WeakPolarHBondContact O-CB 3.38Å; F20-K24 PolarHBondContact O-N 2.89Å |
| 21 | L | 87 | Confident | 86.4 | Confident | 75 Ų | 75 | 98.2 Ų | 98.2 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 175.6 | -72.9 | 173 | 0 | 0 | 0 | 111.7 | L17 I18 R23 K24 F25 | L17-L21 HydrophobicContact CD2-CD1 3.47Å; L17-L21 VanDerWaalsContact CD2-CD1 3.47Å; L17-L21 HydrophobicContact CD2-CG 3.89Å; L17-L21 WeakPolarHBondContact O-CB 3.45Å; L17-L21 WeakPolarHBondContact O-CG 3.26Å; L17-L21 PolarHBondContact O-N 3.19Å; I18-L21 PolarHBondContact O-N 3.42Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 3.42Å; L21-K24 PolarHBondContact O-N 2.91Å; L21-F25 HydrophobicContact CD2-CD2 3.64Å; L21-F25 HydrophobicContact CD2-CE2 3.64Å; L21-F25 WeakPolarHBondContact O-CA 3.38Å; L21-F25 WeakPolarHBondContact O-CB 3.36Å; L21-F25 PolarHBondContact O-N 3.47Å |
| 22 | A | 86.4 | Confident | 86.8 | Confident | 62 Ų | 62 | 101.5 Ų | 101.5 | 51% | 0.512 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I18 G26 | I18-A22 VanDerWaalsContact O-CB 3.24Å; I18-A22 WeakPolarHBondContact O-CB 3.39Å; I18-A22 PolarHBondContact O-N 2.85Å; A22-G26 WeakPolarHBondContact O-CA 3.47Å; A22-G26 PolarHBondContact O-N 3.03Å |
| 23 | R | 85.8 | Confident | 87.1 | Confident | 198 Ų | 198 | 105 Ų | 105 | 75% | 0.747 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.1 | -41.6 | 175.4 | -83.4 | -171.8 | 155 | 102.3 | -1.1 | 113.1 | V19 F20 L21 | V19-R23 WeakPolarHBondContact O-CB 3.49Å; V19-R23 PolarHBondContact O-N 3.35Å; F20-R23 PolarHBondContact O-N 3.37Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 3.42Å |
| 24 | K | 84.5 | Confident | 87.5 | Confident | 115 Ų | 115 | 107 Ų | 107 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -84.7 | -34.9 | -174.2 | -167.1 | 173.2 | -179.1 | 179.5 | 0 | 113.7 | F20 L21 H27 Y28 | F20-K24 HydrophobicContact CE1-CD 4.13Å; F20-K24 HydrophobicContact CZ-CD 4.05Å; F20-K24 WeakPolarHBondContact O-CB 3.38Å; F20-K24 PolarHBondContact O-N 2.89Å; L21-K24 PolarHBondContact O-N 2.91Å; K24-H27 PolarHBondContact O-CD2 2.89Å; K24-H27 VanDerWaalsContact O-CD2 3.23Å; K24-H27 PolarHBondContact O-NE2 3.34Å; K24-Y28 VanDerWaalsContact O-CD2 3.31Å; K24-Y28 WeakPolarHBondContact O-CD2 3.33Å |
| 25 | F | 87.1 | Confident | 87.9 | Confident | 100 Ų | 100 | 101.8 Ų | 101.8 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -102.1 | -18 | 179.9 | -71.1 | -81.3 | 0 | 0 | 0 | 113.4 | L21 H27 Y28 I29 | L21-F25 HydrophobicContact CD2-CD2 3.64Å; L21-F25 HydrophobicContact CD2-CE2 3.64Å; L21-F25 WeakPolarHBondContact O-CA 3.38Å; L21-F25 WeakPolarHBondContact O-CB 3.36Å; L21-F25 PolarHBondContact O-N 3.47Å; F25-H27 VanDerWaalsContact C-N 3.26Å; F25-H27 PolarHBondContact O-N 3.42Å; F25-Y28 HydrophobicContact CD1-CD2 4.26Å; F25-Y28 WeakPolarHBondContact O-CB 3.27Å; F25-Y28 PolarHBondContact O-N 3.45Å; F25-I29 HydrophobicContact CB-CD1 4.49Å; F25-I29 WeakPolarHBondContact O-CG1 3.31Å; F25-I29 PolarHBondContact O-N 3.03Å |
| 26 | G | 87.2 | Confident | 88 | Confident | 30 Ų | 30 | 99.4 Ų | 99.4 | 31% | 0.309 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.9 | -39.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A22 Y28 I29 A30 | A22-G26 WeakPolarHBondContact O-CA 3.47Å; A22-G26 PolarHBondContact O-N 3.03Å; G26-Y28 PolarHBondContact O-N 3.44Å; G26-I29 PolarHBondContact O-N 3.2Å; G26-A30 WeakPolarHBondContact O-CB 3.23Å; G26-A30 PolarHBondContact O-N 2.94Å |
| 27 | H | 89 | Confident | 88.4 | Confident | 87 Ų | 87 | 101.2 Ų | 101.2 | 40% | 0.403 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.9 | -30.6 | 176.1 | 69.5 | 79.1 | 0 | 0 | 0 | 113.4 | K24 F25 R31 | K24-H27 PolarHBondContact O-CD2 2.89Å; K24-H27 VanDerWaalsContact O-CD2 3.23Å; K24-H27 PolarHBondContact O-NE2 3.34Å; F25-H27 VanDerWaalsContact C-N 3.26Å; F25-H27 PolarHBondContact O-N 3.42Å; H27-R31 WeakPolarHBondContact O-CB 3.31Å; H27-R31 VanDerWaalsContact O-CG 3.3Å; H27-R31 WeakPolarHBondContact O-CG 3.37Å; H27-R31 PolarHBondContact O-N 3.41Å |
| 28 | Y | 88.6 | Confident | 88.8 | Confident | 140 Ų | 140 | 98.6 Ų | 98.6 | 55% | 0.549 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.6 | -43.9 | 174.8 | -72 | -75.9 | 0 | 0 | 0 | 111 | K24 F25 G26 R31 F32 | K24-Y28 VanDerWaalsContact O-CD2 3.31Å; K24-Y28 WeakPolarHBondContact O-CD2 3.33Å; F25-Y28 HydrophobicContact CD1-CD2 4.26Å; F25-Y28 WeakPolarHBondContact O-CB 3.27Å; F25-Y28 PolarHBondContact O-N 3.45Å; G26-Y28 PolarHBondContact O-N 3.44Å; Y28-R31 PolarHBondContact O-N 2.86Å; Y28-F32 WeakPolarHBondContact O-CB 3.25Å; Y28-F32 PolarHBondContact O-N 3.49Å |
| 29 | I | 86.9 | Confident | 89.1 | Confident | 101 Ų | 101 | 98.9 Ų | 98.9 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 176.8 | -63.1 | 168.7 | 0 | 0 | 0 | 110.1 | F25 G26 R31 F32 L33 | F25-I29 HydrophobicContact CB-CD1 4.49Å; F25-I29 WeakPolarHBondContact O-CG1 3.31Å; F25-I29 PolarHBondContact O-N 3.03Å; G26-I29 PolarHBondContact O-N 3.2Å; I29-R31 PolarHBondContact O-N 3.47Å; I29-F32 PolarHBondContact O-N 2.89Å; I29-L33 HydrophobicContact CG2-CD1 3.87Å; I29-L33 HydrophobicContact CG2-CG 4.31Å; I29-L33 WeakPolarHBondContact O-CB 3.44Å; I29-L33 WeakPolarHBondContact O-CG 3.42Å; I29-L33 PolarHBondContact O-N 2.97Å |
| 30 | A | 88.8 | Confident | 89.2 | Confident | 38 Ų | 38 | 100.5 Ų | 100.5 | 31% | 0.314 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.2 | -49.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | G26 F32 L33 E34 | G26-A30 WeakPolarHBondContact O-CB 3.23Å; G26-A30 PolarHBondContact O-N 2.94Å; A30-F32 VanDerWaalsContact C-N 3.31Å; A30-F32 PolarHBondContact O-N 3.18Å; A30-L33 PolarHBondContact O-N 3.34Å; A30-E34 VanDerWaalsContact O-CB 3.31Å; A30-E34 WeakPolarHBondContact O-CB 3.47Å; A30-E34 VanDerWaalsContact O-CG 3.25Å; A30-E34 WeakPolarHBondContact O-CG 3.3Å; A30-E34 PolarHBondContact O-N 3.35Å |
| 31 | R | 91.3 | Very high | 89.5 | Confident | 176 Ų | 176 | 98.5 Ų | 98.5 | 66% | 0.664 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.3 | -37.9 | 175.5 | -79.5 | -177.7 | 168.2 | -174.9 | -3.1 | 113.4 | H27 Y28 I29 A35 | H27-R31 WeakPolarHBondContact O-CB 3.31Å; H27-R31 VanDerWaalsContact O-CG 3.3Å; H27-R31 WeakPolarHBondContact O-CG 3.37Å; H27-R31 PolarHBondContact O-N 3.41Å; Y28-R31 PolarHBondContact O-N 2.86Å; I29-R31 PolarHBondContact O-N 3.47Å; R31-A35 WeakPolarHBondContact O-CB 3.19Å; R31-A35 PolarHBondContact O-N 2.89Å |
| 32 | F | 90.6 | Very high | 89.8 | Confident | 163 Ų | 163 | 99.4 Ų | 99.4 | 72% | 0.715 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.3 | -42.9 | 177.6 | -175.4 | -95 | 0 | 0 | 0 | 111.8 | Y28 I29 A30 G36 | Y28-F32 WeakPolarHBondContact O-CB 3.25Å; Y28-F32 PolarHBondContact O-N 3.49Å; I29-F32 PolarHBondContact O-N 2.89Å; A30-F32 VanDerWaalsContact C-N 3.31Å; A30-F32 PolarHBondContact O-N 3.18Å; F32-G36 PolarHBondContact O-N 3.37Å |
| 33 | L | 89.7 | Confident | 90.1 | Very high | 114 Ų | 114 | 103.1 Ų | 103.1 | 60% | 0.597 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.8 | -42.1 | 175.9 | -69.2 | 172.4 | 0 | 0 | 0 | 111.9 | I29 A30 G36 L37 | I29-L33 HydrophobicContact CG2-CD1 3.87Å; I29-L33 HydrophobicContact CG2-CG 4.31Å; I29-L33 WeakPolarHBondContact O-CB 3.44Å; I29-L33 WeakPolarHBondContact O-CG 3.42Å; I29-L33 PolarHBondContact O-N 2.97Å; A30-L33 PolarHBondContact O-N 3.34Å; L33-G36 PolarHBondContact O-N 3.31Å; L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 PolarHBondContact O-N 3.04Å |
| 34 | E | 93.3 | Very high | 90.5 | Very high | 127 Ų | 127 | 99 Ų | 99 | 59% | 0.593 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.7 | -42.2 | 175 | -75.2 | 169.4 | -170.6 | 0 | 0 | 111.6 | A30 L37 A38 | A30-E34 VanDerWaalsContact O-CB 3.31Å; A30-E34 WeakPolarHBondContact O-CB 3.47Å; A30-E34 VanDerWaalsContact O-CG 3.25Å; A30-E34 WeakPolarHBondContact O-CG 3.3Å; A30-E34 PolarHBondContact O-N 3.35Å; E34-L37 PolarHBondContact O-N 3.49Å; E34-A38 WeakPolarHBondContact O-CB 3.22Å; E34-A38 PolarHBondContact O-N 3.26Å |
| 35 | A | 92.3 | Very high | 91.1 | Very high | 50 Ų | 50 | 101.3 Ų | 101.3 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R31 L37 A38 D39 | R31-A35 WeakPolarHBondContact O-CB 3.19Å; R31-A35 PolarHBondContact O-N 2.89Å; A35-L37 VanDerWaalsContact C-N 3.34Å; A35-L37 PolarHBondContact O-N 2.9Å; A35-A38 PolarHBondContact O-N 2.91Å; A35-D39 PolarHBondContact O-N 3.45Å |
| 36 | G | 90.1 | Very high | 91.5 | Very high | 43 Ų | 43 | 99.2 Ų | 99.2 | 44% | 0.443 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F32 L33 E40 | F32-G36 PolarHBondContact O-N 3.37Å; L33-G36 PolarHBondContact O-N 3.31Å; G36-E40 PolarHBondContact O-N 2.86Å |
| 37 | L | 92 | Very high | 91.9 | Very high | 99 Ų | 99 | 100.2 Ų | 100.2 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -67.1 | -41.1 | 175.3 | -173.2 | 66 | 0 | 0 | 0 | 111.6 | L33 E34 A35 E40 E41 | L33-L37 WeakPolarHBondContact O-CB 3.46Å; L33-L37 PolarHBondContact O-N 3.04Å; E34-L37 PolarHBondContact O-N 3.49Å; A35-L37 VanDerWaalsContact C-N 3.34Å; A35-L37 PolarHBondContact O-N 2.9Å; L37-E40 PolarHBondContact O-N 3.43Å; L37-E41 WeakPolarHBondContact O-CG 3.25Å; L37-E41 PolarHBondContact O-N 3.34Å |
| 38 | A | 93.2 | Very high | 92.2 | Very high | 48 Ų | 48 | 99.4 Ų | 99.4 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E34 A35 E40 E41 V42 | E34-A38 WeakPolarHBondContact O-CB 3.22Å; E34-A38 PolarHBondContact O-N 3.26Å; A35-A38 PolarHBondContact O-N 2.91Å; A38-E40 VanDerWaalsContact C-N 3.35Å; A38-E40 PolarHBondContact O-N 2.9Å; A38-E41 PolarHBondContact O-N 3.36Å; A38-V42 VanDerWaalsContact O-CG2 3.29Å; A38-V42 WeakPolarHBondContact O-CG2 3.42Å; A38-V42 PolarHBondContact O-N 3.38Å |
| 39 | D | 92.2 | Very high | 92.6 | Very high | 120 Ų | 120 | 96.7 Ų | 96.7 | 64% | 0.642 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.2 | -41.8 | 176.9 | -76.1 | -18.1 | 0 | 0 | 0 | 111.7 | A35 V42 F43 | A35-D39 PolarHBondContact O-N 3.45Å; D39-V42 PolarHBondContact O-N 2.88Å; D39-F43 WeakPolarHBondContact O-CB 3.34Å; D39-F43 PolarHBondContact O-N 2.9Å |
| 40 | E | 90.5 | Very high | 93.1 | Very high | 98 Ų | 98 | 98.6 Ų | 98.6 | 46% | 0.458 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | 177 | -164.4 | -171.7 | 167.2 | 0 | 0 | 112 | G36 L37 A38 F43 K44 | G36-E40 PolarHBondContact O-N 2.86Å; L37-E40 PolarHBondContact O-N 3.43Å; A38-E40 VanDerWaalsContact C-N 3.35Å; A38-E40 PolarHBondContact O-N 2.9Å; E40-F43 PolarHBondContact O-N 3.4Å; E40-K44 VanDerWaalsContact CD-NZ 3.31Å; E40-K44 HydrophobicContact CG-CD 4.37Å; E40-K44 WeakPolarHBondContact O-CB 3.5Å; E40-K44 WeakPolarHBondContact O-CG 3.36Å; E40-K44 PolarHBondContact O-N 3.46Å; E40-K44 WeakPolarHBondContact OE1-CE 3.34Å; E40-K44 IonicContact OE1-NZ 2.64Å; E40-K44 PolarHBondContact OE1-NZ 3.19Å; E40-K44 IonicContact OE2-NZ 3.98Å |
| 41 | E | 92.2 | Very high | 93.4 | Very high | 84 Ų | 84 | 105.4 Ų | 105.4 | 39% | 0.393 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 174.4 | -78.6 | -167.3 | -162.2 | 0 | 0 | 112.3 | L37 A38 F43 K44 R45 | L37-E41 WeakPolarHBondContact O-CG 3.25Å; L37-E41 PolarHBondContact O-N 3.34Å; A38-E41 PolarHBondContact O-N 3.36Å; E41-F43 VanDerWaalsContact C-N 3.34Å; E41-K44 PolarHBondContact O-N 2.91Å; E41-R45 WeakPolarHBondContact O-CB 3.3Å; E41-R45 VanDerWaalsContact O-CG 3.23Å; E41-R45 WeakPolarHBondContact O-CG 3.34Å; E41-R45 PolarHBondContact O-N 2.92Å; E41-R45 IonicContact OE2-CZ 3.76Å; E41-R45 IonicContact OE2-NH2 2.81Å; E41-R45 PolarHBondContact OE2-NH2 2.91Å |
| 42 | V | 94.2 | Very high | 93.6 | Very high | 94 Ų | 94 | 101.6 Ų | 101.6 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.6 | -44.5 | 176.4 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | A38 D39 R45 A46 | A38-V42 VanDerWaalsContact O-CG2 3.29Å; A38-V42 WeakPolarHBondContact O-CG2 3.42Å; A38-V42 PolarHBondContact O-N 3.38Å; D39-V42 PolarHBondContact O-N 2.88Å; V42-R45 PolarHBondContact O-N 3.4Å; V42-A46 WeakPolarHBondContact O-CB 3.45Å; V42-A46 PolarHBondContact O-N 3.3Å |
| 43 | F | 93.5 | Very high | 93.9 | Very high | 140 Ų | 140 | 96.4 Ų | 96.4 | 61% | 0.614 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.4 | -47.7 | 176.7 | -178.7 | -98.3 | 0 | 0 | 0 | 112.1 | D39 E40 E41 R45 A46 V47 | D39-F43 WeakPolarHBondContact O-CB 3.34Å; D39-F43 PolarHBondContact O-N 2.9Å; E40-F43 PolarHBondContact O-N 3.4Å; E41-F43 VanDerWaalsContact C-N 3.34Å; F43-R45 PolarHBondContact O-N 3Å; F43-A46 PolarHBondContact O-N 3.03Å; F43-V47 HydrophobicContact CD1-CG2 4.2Å; F43-V47 HydrophobicContact CE1-CG2 3.8Å; F43-V47 HydrophobicContact CE2-CG2 4.25Å; F43-V47 HydrophobicContact CZ-CG2 3.82Å; F43-V47 WeakPolarHBondContact O-CG2 3.29Å; F43-V47 PolarHBondContact O-N 2.9Å |
| 44 | K | 94.5 | Very high | 94.3 | Very high | 113 Ų | 113 | 95.8 Ų | 95.8 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.5 | -45.7 | 177.1 | -76 | 172.7 | -178.1 | 165.5 | 0 | 111.6 | E40 E41 V47 V48 | E40-K44 VanDerWaalsContact CD-NZ 3.31Å; E40-K44 HydrophobicContact CG-CD 4.37Å; E40-K44 WeakPolarHBondContact O-CB 3.5Å; E40-K44 WeakPolarHBondContact O-CG 3.36Å; E40-K44 PolarHBondContact O-N 3.46Å; E40-K44 WeakPolarHBondContact OE1-CE 3.34Å; E40-K44 IonicContact OE1-NZ 2.64Å; E40-K44 PolarHBondContact OE1-NZ 3.19Å; E40-K44 IonicContact OE2-NZ 3.98Å; E41-K44 PolarHBondContact O-N 2.91Å; K44-V47 PolarHBondContact O-N 3.3Å; K44-V48 WeakPolarHBondContact O-CG2 3.44Å; K44-V48 PolarHBondContact O-N 3.26Å |
| 45 | R | 95.4 | Very high | 94.4 | Very high | 163 Ų | 163 | 95 Ų | 95 | 62% | 0.615 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61 | -44.6 | 176.2 | -70.9 | 175.6 | -161.9 | -169.7 | 9.6 | 111.2 | E41 V42 F43 V47 V48 E49 | E41-R45 WeakPolarHBondContact O-CB 3.3Å; E41-R45 VanDerWaalsContact O-CG 3.23Å; E41-R45 WeakPolarHBondContact O-CG 3.34Å; E41-R45 PolarHBondContact O-N 2.92Å; E41-R45 IonicContact OE2-CZ 3.76Å; E41-R45 IonicContact OE2-NH2 2.81Å; E41-R45 PolarHBondContact OE2-NH2 2.91Å; V42-R45 PolarHBondContact O-N 3.4Å; F43-R45 PolarHBondContact O-N 3Å; R45-V47 PolarHBondContact O-N 3.4Å; R45-V48 PolarHBondContact O-N 3.48Å; R45-E49 WeakPolarHBondContact O-CB 3.27Å; R45-E49 PolarHBondContact O-N 2.95Å |
| 46 | A | 95.8 | Very high | 94.7 | Very high | 55 Ų | 55 | 98.8 Ų | 98.8 | 46% | 0.455 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V42 F43 K50 | V42-A46 WeakPolarHBondContact O-CB 3.45Å; V42-A46 PolarHBondContact O-N 3.3Å; F43-A46 PolarHBondContact O-N 3.03Å; A46-K50 VanDerWaalsContact O-CB 3.29Å; A46-K50 WeakPolarHBondContact O-CB 3.48Å; A46-K50 PolarHBondContact O-N 3.48Å |
| 47 | V | 95.4 | Very high | 95.1 | Very high | 52 Ų | 52 | 101.1 Ų | 101.1 | 32% | 0.315 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 176.6 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | F43 K44 R45 K50 R51 | F43-V47 HydrophobicContact CD1-CG2 4.2Å; F43-V47 HydrophobicContact CE1-CG2 3.8Å; F43-V47 HydrophobicContact CE2-CG2 4.25Å; F43-V47 HydrophobicContact CZ-CG2 3.82Å; F43-V47 WeakPolarHBondContact O-CG2 3.29Å; F43-V47 PolarHBondContact O-N 2.9Å; K44-V47 PolarHBondContact O-N 3.3Å; R45-V47 PolarHBondContact O-N 3.4Å; V47-K50 PolarHBondContact O-N 2.93Å; V47-R51 WeakPolarHBondContact O-CG 3.45Å; V47-R51 PolarHBondContact O-N 2.85Å |
| 48 | V | 96.3 | Very high | 95.3 | Very high | 70 Ų | 70 | 99.5 Ų | 99.5 | 42% | 0.424 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -46.5 | 178.1 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | K44 R45 R51 K52 | K44-V48 WeakPolarHBondContact O-CG2 3.44Å; K44-V48 PolarHBondContact O-N 3.26Å; R45-V48 PolarHBondContact O-N 3.48Å; V48-R51 PolarHBondContact O-N 3.21Å; V48-K52 HydrophobicContact CG1-CD 4.22Å; V48-K52 HydrophobicContact CG1-CG 4.48Å; V48-K52 WeakPolarHBondContact O-CG 3.47Å; V48-K52 PolarHBondContact O-N 3.39Å |
| 49 | E | 96.5 | Very high | 95.5 | Very high | 82 Ų | 82 | 101.8 Ų | 101.8 | 38% | 0.383 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 178.4 | -73.7 | -51.2 | 125.6 | 0 | 0 | 111.9 | R45 R51 K52 T53 R56 | R45-E49 WeakPolarHBondContact O-CB 3.27Å; R45-E49 PolarHBondContact O-N 2.95Å; E49-R51 VanDerWaalsContact C-N 3.3Å; E49-R51 PolarHBondContact O-N 2.92Å; E49-K52 PolarHBondContact O-N 3.1Å; E49-K52 WeakPolarHBondContact OE1-CD 3.5Å; E49-K52 IonicContact OE1-NZ 3.78Å; E49-K52 PolarHBondContact OE1-NZ 3.43Å; E49-T53 WeakPolarHBondContact O-CG2 3.35Å; E49-T53 PolarHBondContact O-N 3.48Å; E49-T53 PolarHBondContact O-OG1 2.94Å; E49-R56 IonicContact OE2-NH2 3.46Å |
| 50 | K | 96.6 | Very high | 95.8 | Very high | 142 Ų | 142 | 102.2 Ų | 102.2 | 62% | 0.617 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.1 | -40.2 | 174.1 | -175.1 | 176.3 | -178.8 | 177.1 | 0 | 112.5 | A46 V47 T53 L54 | A46-K50 VanDerWaalsContact O-CB 3.29Å; A46-K50 WeakPolarHBondContact O-CB 3.48Å; A46-K50 PolarHBondContact O-N 3.48Å; V47-K50 PolarHBondContact O-N 2.93Å; K50-T53 WeakPolarHBondContact CA-OG1 3.33Å; K50-T53 PolarHBondContact O-OG1 2.99Å; K50-L54 HydrophobicContact CG-CD1 4.25Å; K50-L54 WeakPolarHBondContact O-CB 3.4Å; K50-L54 WeakPolarHBondContact O-CG 3.29Å; K50-L54 PolarHBondContact O-N 3.37Å; K50-L54 VanDerWaalsContact O-N 3.07Å |
| 51 | R | 95 | Very high | 96.1 | Very high | 180 Ų | 180 | 101.3 Ų | 101.3 | 68% | 0.679 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.5 | -40.7 | 176.5 | -74.2 | 177.9 | -177 | -87 | 2 | 111.7 | V47 V48 E49 L55 | V47-R51 WeakPolarHBondContact O-CG 3.45Å; V47-R51 PolarHBondContact O-N 2.85Å; V48-R51 PolarHBondContact O-N 3.21Å; E49-R51 VanDerWaalsContact C-N 3.3Å; E49-R51 PolarHBondContact O-N 2.92Å; R51-L55 WeakPolarHBondContact O-CB 3.29Å; R51-L55 PolarHBondContact O-N 2.9Å |
| 52 | K | 97 | Very high | 96.3 | Very high | 96 Ų | 96 | 100.3 Ų | 100.3 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 175.7 | -72.4 | 176.4 | -173 | 166.2 | 0 | 111.6 | V48 E49 L55 R56 | V48-K52 HydrophobicContact CG1-CD 4.22Å; V48-K52 HydrophobicContact CG1-CG 4.48Å; V48-K52 WeakPolarHBondContact O-CG 3.47Å; V48-K52 PolarHBondContact O-N 3.39Å; E49-K52 PolarHBondContact O-N 3.1Å; E49-K52 WeakPolarHBondContact OE1-CD 3.5Å; E49-K52 IonicContact OE1-NZ 3.78Å; E49-K52 PolarHBondContact OE1-NZ 3.43Å; K52-L55 PolarHBondContact O-N 3.41Å; K52-R56 WeakPolarHBondContact O-CG 3.34Å; K52-R56 PolarHBondContact O-N 3.31Å |
| 53 | T | 97.1 | Very high | 96.4 | Very high | 54 Ų | 54 | 99.2 Ų | 99.2 | 33% | 0.331 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 177.7 | 56.6 | 0 | 0 | 0 | 0 | 110.7 | E49 K50 L55 R56 D57 | E49-T53 WeakPolarHBondContact O-CG2 3.35Å; E49-T53 PolarHBondContact O-N 3.48Å; E49-T53 PolarHBondContact O-OG1 2.94Å; K50-T53 WeakPolarHBondContact CA-OG1 3.33Å; K50-T53 PolarHBondContact O-OG1 2.99Å; T53-L55 VanDerWaalsContact C-N 3.28Å; T53-L55 PolarHBondContact O-N 3.16Å; T53-R56 PolarHBondContact O-N 3.03Å; T53-R56 VanDerWaalsContact O-N 3.09Å; T53-D57 PolarHBondContact O-N 3.49Å |
| 54 | L | 97 | Very high | 96.6 | Very high | 102 Ų | 102 | 96.6 Ų | 96.6 | 53% | 0.534 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -56.7 | -41.6 | 176.5 | -73.1 | 170.5 | 0 | 0 | 0 | 112.6 | K50 S58 | K50-L54 HydrophobicContact CG-CD1 4.25Å; K50-L54 WeakPolarHBondContact O-CB 3.4Å; K50-L54 WeakPolarHBondContact O-CG 3.29Å; K50-L54 PolarHBondContact O-N 3.37Å; K50-L54 VanDerWaalsContact O-N 3.07Å; L54-S58 WeakPolarHBondContact O-CB 3.28Å; L54-S58 PolarHBondContact O-N 3.45Å |
| 55 | L | 96.5 | Very high | 96.6 | Very high | 109 Ų | 109 | 96.2 Ų | 96.2 | 57% | 0.571 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.3 | -41 | 177.6 | -174.8 | 60.4 | 0 | 0 | 0 | 111.8 | R51 K52 T53 S58 I59 | R51-L55 WeakPolarHBondContact O-CB 3.29Å; R51-L55 PolarHBondContact O-N 2.9Å; K52-L55 PolarHBondContact O-N 3.41Å; T53-L55 VanDerWaalsContact C-N 3.28Å; T53-L55 PolarHBondContact O-N 3.16Å; L55-S58 PolarHBondContact O-N 3.49Å; L55-I59 HydrophobicContact CD1-CD1 4.34Å; L55-I59 HydrophobicContact CG-CD1 4.02Å; L55-I59 WeakPolarHBondContact O-CD1 3.42Å; L55-I59 VanDerWaalsContact O-CG1 3.23Å; L55-I59 WeakPolarHBondContact O-CG1 3.33Å; L55-I59 PolarHBondContact O-N 3.22Å |
| 56 | R | 97.7 | Very high | 96.7 | Very high | 131 Ų | 131 | 92.9 Ų | 92.9 | 49% | 0.494 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 174.6 | -73.4 | -176.9 | -142.1 | 119.5 | -1.1 | 111.4 | E49 K52 T53 S58 I59 Q60 | E49-R56 IonicContact OE2-NH2 3.46Å; K52-R56 WeakPolarHBondContact O-CG 3.34Å; K52-R56 PolarHBondContact O-N 3.31Å; T53-R56 PolarHBondContact O-N 3.03Å; T53-R56 VanDerWaalsContact O-N 3.09Å; R56-S58 VanDerWaalsContact C-N 3.33Å; R56-S58 PolarHBondContact O-N 3.02Å; R56-I59 PolarHBondContact O-N 2.93Å; R56-Q60 WeakPolarHBondContact O-CB 3.41Å; R56-Q60 PolarHBondContact O-N 2.88Å |
| 57 | D | 97.6 | Very high | 96.7 | Very high | 92 Ų | 92 | 94.9 Ų | 94.9 | 49% | 0.492 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 179.4 | -62 | -17.2 | 0 | 0 | 0 | 110.6 | T53 Q60 D61 | T53-D57 PolarHBondContact O-N 3.49Å; D57-Q60 PolarHBondContact O-N 3.44Å; D57-D61 WeakPolarHBondContact O-CB 3.42Å; D57-D61 PolarHBondContact O-N 3.03Å |
| 58 | S | 97.1 | Very high | 96.7 | Very high | 65 Ų | 65 | 94.5 Ų | 94.5 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 175.4 | -179.5 | 0 | 0 | 0 | 0 | 112.6 | L54 L55 R56 C62 | L54-S58 WeakPolarHBondContact O-CB 3.28Å; L54-S58 PolarHBondContact O-N 3.45Å; L55-S58 PolarHBondContact O-N 3.49Å; R56-S58 VanDerWaalsContact C-N 3.33Å; R56-S58 PolarHBondContact O-N 3.02Å; S58-C62 WeakPolarHBondContact O-CB 3.38Å; S58-C62 PolarHBondContact O-N 3.21Å; S58-C62 PolarHBondContact O-SG 2.89Å |
| 59 | I | 97.4 | Very high | 96.7 | Very high | 95 Ų | 95 | 98.5 Ų | 98.5 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 176.1 | -70.2 | 164.5 | 0 | 0 | 0 | 109.8 | L55 R56 C62 V63 | L55-I59 HydrophobicContact CD1-CD1 4.34Å; L55-I59 HydrophobicContact CG-CD1 4.02Å; L55-I59 WeakPolarHBondContact O-CD1 3.42Å; L55-I59 VanDerWaalsContact O-CG1 3.23Å; L55-I59 WeakPolarHBondContact O-CG1 3.33Å; L55-I59 PolarHBondContact O-N 3.22Å; R56-I59 PolarHBondContact O-N 2.93Å; I59-C62 WeakPolarHBondContact O-CB 3.38Å; I59-C62 PolarHBondContact O-N 2.78Å; I59-V63 HydrophobicContact CG2-CG2 4.44Å; I59-V63 WeakPolarHBondContact O-CG2 3.35Å; I59-V63 PolarHBondContact O-N 3.49Å |
| 60 | Q | 97.4 | Very high | 96.6 | Very high | 130 Ų | 130 | 99.7 Ų | 99.7 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.3 | -42.9 | 179.8 | -173.6 | 166.7 | -0.6 | 0 | 0 | 111.9 | R56 D57 C62 V63 V64 | R56-Q60 WeakPolarHBondContact O-CB 3.41Å; R56-Q60 PolarHBondContact O-N 2.88Å; D57-Q60 PolarHBondContact O-N 3.44Å; Q60-C62 PolarHBondContact O-N 3.19Å; Q60-V63 PolarHBondContact O-N 2.83Å; Q60-V64 WeakPolarHBondContact O-CG2 3.3Å; Q60-V64 PolarHBondContact O-N 3.14Å |
| 61 | D | 97 | Very high | 96.5 | Very high | 78 Ų | 78 | 96 Ų | 96 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 174.2 | -178 | 46 | 0 | 0 | 0 | 111.9 | D57 V63 V64 K65 | D57-D61 WeakPolarHBondContact O-CB 3.42Å; D57-D61 PolarHBondContact O-N 3.03Å; D61-V63 PolarHBondContact O-N 3.32Å; D61-V64 PolarHBondContact O-N 3.21Å; D61-K65 WeakPolarHBondContact O-CB 3.35Å; D61-K65 WeakPolarHBondContact O-CG 3.28Å; D61-K65 PolarHBondContact O-N 3.44Å; D61-K65 VanDerWaalsContact OD1-CE 3.28Å; D61-K65 WeakPolarHBondContact OD1-CE 3.46Å; D61-K65 IonicContact OD1-NZ 2.67Å; D61-K65 PolarHBondContact OD1-NZ 3.02Å; D61-K65 WeakPolarHBondContact OD2-CE 3.37Å; D61-K65 IonicContact OD2-NZ 2.6Å; D61-K65 PolarHBondContact OD2-NZ 3.35Å |
| 62 | C | 96.7 | Very high | 96.6 | Very high | 63 Ų | 63 | 91.3 Ų | 91.3 | 43% | 0.426 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.3 | -43.8 | 174.7 | -74.3 | 0 | 0 | 0 | 0 | 112.5 | S58 I59 Q60 K65 I66 | S58-C62 WeakPolarHBondContact O-CB 3.38Å; S58-C62 PolarHBondContact O-N 3.21Å; S58-C62 PolarHBondContact O-SG 2.89Å; I59-C62 WeakPolarHBondContact O-CB 3.38Å; I59-C62 PolarHBondContact O-N 2.78Å; Q60-C62 PolarHBondContact O-N 3.19Å; C62-K65 PolarHBondContact O-N 3.45Å; C62-I66 WeakPolarHBondContact O-CD1 3.33Å; C62-I66 VanDerWaalsContact O-CG1 3.27Å; C62-I66 WeakPolarHBondContact O-CG1 3.35Å; C62-I66 PolarHBondContact O-N 3.41Å |
| 63 | V | 97.2 | Very high | 96.5 | Very high | 71 Ų | 71 | 90 Ų | 90 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -48.9 | 178.4 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | I59 Q60 D61 K65 I66 D67 | I59-V63 HydrophobicContact CG2-CG2 4.44Å; I59-V63 WeakPolarHBondContact O-CG2 3.35Å; I59-V63 PolarHBondContact O-N 3.49Å; Q60-V63 PolarHBondContact O-N 2.83Å; D61-V63 PolarHBondContact O-N 3.32Å; V63-K65 VanDerWaalsContact C-N 3.27Å; V63-K65 PolarHBondContact O-N 3.02Å; V63-I66 PolarHBondContact O-N 2.9Å; V63-I66 VanDerWaalsContact O-N 3.12Å; V63-D67 PolarHBondContact O-N 3.39Å |
| 64 | V | 96.8 | Very high | 96.5 | Very high | 86 Ų | 86 | 90.3 Ų | 90.3 | 52% | 0.521 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.1 | -41.3 | 178.3 | 171.1 | 0 | 0 | 0 | 0 | 111.3 | Q60 D61 D67 A68 | Q60-V64 WeakPolarHBondContact O-CG2 3.3Å; Q60-V64 PolarHBondContact O-N 3.14Å; D61-V64 PolarHBondContact O-N 3.21Å; V64-D67 PolarHBondContact O-N 3.1Å; V64-A68 WeakPolarHBondContact O-CB 3.36Å; V64-A68 PolarHBondContact O-N 3.48Å |
| 65 | K | 96.1 | Very high | 96.5 | Very high | 104 Ų | 104 | 92 Ų | 92 | 45% | 0.452 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 176.4 | -75.9 | 170 | 178.2 | 165.3 | 0 | 112.1 | D61 C62 V63 D67 A68 Y69 | D61-K65 WeakPolarHBondContact O-CB 3.35Å; D61-K65 WeakPolarHBondContact O-CG 3.28Å; D61-K65 PolarHBondContact O-N 3.44Å; D61-K65 VanDerWaalsContact OD1-CE 3.28Å; D61-K65 WeakPolarHBondContact OD1-CE 3.46Å; D61-K65 IonicContact OD1-NZ 2.67Å; D61-K65 PolarHBondContact OD1-NZ 3.02Å; D61-K65 WeakPolarHBondContact OD2-CE 3.37Å; D61-K65 IonicContact OD2-NZ 2.6Å; D61-K65 PolarHBondContact OD2-NZ 3.35Å; C62-K65 PolarHBondContact O-N 3.45Å; V63-K65 VanDerWaalsContact C-N 3.27Å; V63-K65 PolarHBondContact O-N 3.02Å; K65-D67 VanDerWaalsContact C-N 3.34Å; K65-D67 PolarHBondContact O-N 3.25Å; K65-A68 PolarHBondContact O-N 2.89Å; K65-Y69 HydrophobicContact CB-CE2 4.43Å; K65-Y69 WeakPolarHBondContact O-CD2 3.36Å; K65-Y69 PolarHBondContact O-N 2.91Å |
| 66 | I | 96.7 | Very high | 96.5 | Very high | 94 Ų | 94 | 90.7 Ų | 90.7 | 48% | 0.482 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 177.6 | -70.7 | 164.2 | 0 | 0 | 0 | 110.3 | C62 V63 A68 Y69 N70 | C62-I66 WeakPolarHBondContact O-CD1 3.33Å; C62-I66 VanDerWaalsContact O-CG1 3.27Å; C62-I66 WeakPolarHBondContact O-CG1 3.35Å; C62-I66 PolarHBondContact O-N 3.41Å; V63-I66 PolarHBondContact O-N 2.9Å; V63-I66 VanDerWaalsContact O-N 3.12Å; I66-A68 VanDerWaalsContact C-N 3.35Å; I66-A68 PolarHBondContact O-N 3.47Å; I66-Y69 PolarHBondContact O-N 3.43Å; I66-N70 WeakPolarHBondContact O-CB 3.5Å; I66-N70 PolarHBondContact O-N 3.35Å; I66-N70 PolarHBondContact O-ND2 3.46Å |
| 67 | D | 95.4 | Very high | 96.5 | Very high | 96 Ų | 96 | 91.4 Ų | 91.4 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 179 | -69.2 | -21.4 | 0 | 0 | 0 | 111.9 | V63 V64 K65 N70 A71 | V63-D67 PolarHBondContact O-N 3.39Å; V64-D67 PolarHBondContact O-N 3.1Å; K65-D67 VanDerWaalsContact C-N 3.34Å; K65-D67 PolarHBondContact O-N 3.25Å; D67-N70 PolarHBondContact O-N 2.99Å; D67-A71 PolarHBondContact O-N 3.47Å; D67-A71 VanDerWaalsContact O-N 3.11Å |
| 68 | A | 95.6 | Very high | 96.5 | Very high | 45 Ų | 45 | 90.6 Ų | 90.6 | 37% | 0.372 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V64 K65 I66 N70 A71 I72 | V64-A68 WeakPolarHBondContact O-CB 3.36Å; V64-A68 PolarHBondContact O-N 3.48Å; K65-A68 PolarHBondContact O-N 2.89Å; I66-A68 VanDerWaalsContact C-N 3.35Å; I66-A68 PolarHBondContact O-N 3.47Å; A68-N70 PolarHBondContact O-N 3.06Å; A68-A71 PolarHBondContact O-N 3.31Å; A68-I72 HydrophobicContact CB-CD1 4.47Å; A68-I72 WeakPolarHBondContact O-CB 3.4Å; A68-I72 WeakPolarHBondContact O-CD1 3.42Å; A68-I72 WeakPolarHBondContact O-CG1 3.28Å; A68-I72 PolarHBondContact O-N 3.37Å |
| 69 | Y | 95.8 | Very high | 96.5 | Very high | 153 Ų | 153 | 90.1 Ų | 90.1 | 60% | 0.6 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.4 | -41.4 | 176.5 | -78.8 | -62.6 | 0 | 0 | 0 | 112.1 | K65 I66 A71 I72 V73 | K65-Y69 HydrophobicContact CB-CE2 4.43Å; K65-Y69 WeakPolarHBondContact O-CD2 3.36Å; K65-Y69 PolarHBondContact O-N 2.91Å; I66-Y69 PolarHBondContact O-N 3.43Å; Y69-A71 PolarHBondContact O-N 2.9Å; Y69-I72 PolarHBondContact O-N 3.31Å; Y69-V73 WeakPolarHBondContact O-CB 3.49Å; Y69-V73 WeakPolarHBondContact O-CG2 3.41Å; Y69-V73 PolarHBondContact O-N 3.35Å |
| 70 | N | 95.3 | Very high | 96.5 | Very high | 107 Ų | 107 | 91.6 Ų | 91.6 | 57% | 0.572 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.1 | -33.9 | 176.9 | -72.5 | -26.5 | 0 | 0 | 0 | 112.3 | I66 D67 A68 P74 | I66-N70 WeakPolarHBondContact O-CB 3.5Å; I66-N70 PolarHBondContact O-N 3.35Å; I66-N70 PolarHBondContact O-ND2 3.46Å; D67-N70 PolarHBondContact O-N 2.99Å; A68-N70 PolarHBondContact O-N 3.06Å; N70-P74 WeakPolarHBondContact O-CD 3.28Å; N70-P74 WeakPolarHBondContact O-CG 3.35Å |
| 71 | A | 94.7 | Very high | 96.5 | Very high | 65 Ų | 65 | 93.4 Ų | 93.4 | 54% | 0.537 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -78.3 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D67 A68 Y69 P74 | D67-A71 PolarHBondContact O-N 3.47Å; D67-A71 VanDerWaalsContact O-N 3.11Å; A68-A71 PolarHBondContact O-N 3.31Å; Y69-A71 PolarHBondContact O-N 2.9Å; A71-P74 WeakPolarHBondContact O-CD 3.15Å; A71-P74 WeakPolarHBondContact O-CG 3.33Å |
| 72 | I | 96 | Very high | 96.5 | Very high | 81 Ų | 81 | 95.8 Ų | 95.8 | 42% | 0.415 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74.7 | -40.3 | -174.3 | -70.4 | 164.3 | 0 | 0 | 0 | 112.2 | A68 Y69 M75 I76 | A68-I72 HydrophobicContact CB-CD1 4.47Å; A68-I72 WeakPolarHBondContact O-CB 3.4Å; A68-I72 WeakPolarHBondContact O-CD1 3.42Å; A68-I72 WeakPolarHBondContact O-CG1 3.28Å; A68-I72 PolarHBondContact O-N 3.37Å; Y69-I72 PolarHBondContact O-N 3.31Å; I72-M75 WeakPolarHBondContact O-CB 3.38Å; I72-M75 PolarHBondContact O-N 3.44Å; I72-I76 HydrophobicContact CG2-CD1 3.5Å; I72-I76 VanDerWaalsContact CG2-CD1 3.5Å; I72-I76 HydrophobicContact CG2-CG1 3.98Å; I72-I76 WeakPolarHBondContact O-CG1 3.44Å; I72-I76 PolarHBondContact O-N 2.85Å |
| 73 | V | 96.1 | Very high | 96.6 | Very high | 69 Ų | 69 | 96.8 Ų | 96.8 | 42% | 0.418 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.4 | -53.6 | -176.6 | 170.4 | 0 | 0 | 0 | 0 | 113 | Y69 M75 I76 Y77 | Y69-V73 WeakPolarHBondContact O-CB 3.49Å; Y69-V73 WeakPolarHBondContact O-CG2 3.41Å; Y69-V73 PolarHBondContact O-N 3.35Å; V73-M75 VanDerWaalsContact C-N 3.31Å; V73-M75 PolarHBondContact O-N 2.77Å; V73-I76 PolarHBondContact O-N 3.37Å; V73-Y77 HydrophobicContact CG1-CD2 3.86Å; V73-Y77 HydrophobicContact CG1-CE2 3.55Å; V73-Y77 WeakPolarHBondContact O-CD2 3.41Å; V73-Y77 PolarHBondContact O-N 3.23Å |
| 74 | P | 96.6 | Very high | 96.6 | Very high | 61 Ų | 61 | 98.3 Ų | 98.3 | 40% | 0.396 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -39.7 | 177.7 | 24.1 | -33.3 | 0 | 0 | 0 | 111.8 | N70 A71 I76 Y77 D78 | N70-P74 WeakPolarHBondContact O-CD 3.28Å; N70-P74 WeakPolarHBondContact O-CG 3.35Å; A71-P74 WeakPolarHBondContact O-CD 3.15Å; A71-P74 WeakPolarHBondContact O-CG 3.33Å; P74-I76 VanDerWaalsContact C-N 3.31Å; P74-I76 PolarHBondContact O-N 3.5Å; P74-Y77 PolarHBondContact O-N 3.42Å; P74-Y77 VanDerWaalsContact O-N 3.11Å; P74-D78 VanDerWaalsContact O-CG 3.23Å; P74-D78 PolarHBondContact O-N 2.9Å |
| 75 | M | 96.4 | Very high | 96.7 | Very high | 137 Ų | 137 | 97 Ų | 97 | 68% | 0.675 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.9 | -40.5 | 176.9 | -173.9 | -175.6 | -179.9 | 0 | 0 | 112.3 | I72 V73 D78 A79 | I72-M75 WeakPolarHBondContact O-CB 3.38Å; I72-M75 PolarHBondContact O-N 3.44Å; V73-M75 VanDerWaalsContact C-N 3.31Å; V73-M75 PolarHBondContact O-N 2.77Å; M75-D78 PolarHBondContact O-N 2.99Å; M75-A79 WeakPolarHBondContact O-CB 3.37Å; M75-A79 PolarHBondContact O-N 3.33Å |
| 76 | I | 97.2 | Very high | 96.7 | Very high | 81 Ų | 81 | 96.5 Ų | 96.5 | 42% | 0.415 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 176 | -69.5 | 172.2 | 0 | 0 | 0 | 111 | I72 V73 P74 K80 | I72-I76 HydrophobicContact CG2-CD1 3.5Å; I72-I76 VanDerWaalsContact CG2-CD1 3.5Å; I72-I76 HydrophobicContact CG2-CG1 3.98Å; I72-I76 WeakPolarHBondContact O-CG1 3.44Å; I72-I76 PolarHBondContact O-N 2.85Å; V73-I76 PolarHBondContact O-N 3.37Å; P74-I76 VanDerWaalsContact C-N 3.31Å; P74-I76 PolarHBondContact O-N 3.5Å; I76-K80 HydrophobicContact CG2-CD 4.16Å; I76-K80 WeakPolarHBondContact O-CB 3.29Å; I76-K80 VanDerWaalsContact O-CG 3.28Å; I76-K80 WeakPolarHBondContact O-CG 3.18Å; I76-K80 PolarHBondContact O-N 2.89Å |
| 77 | Y | 97.1 | Very high | 96.8 | Very high | 146 Ų | 146 | 97.1 Ų | 97.1 | 57% | 0.573 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.6 | -40.7 | 177.2 | -76 | -68 | 0 | 0 | 0 | 111.6 | V73 P74 K80 R81 | V73-Y77 HydrophobicContact CG1-CD2 3.86Å; V73-Y77 HydrophobicContact CG1-CE2 3.55Å; V73-Y77 WeakPolarHBondContact O-CD2 3.41Å; V73-Y77 PolarHBondContact O-N 3.23Å; P74-Y77 PolarHBondContact O-N 3.42Å; P74-Y77 VanDerWaalsContact O-N 3.11Å; Y77-K80 PolarHBondContact O-N 2.98Å; Y77-R81 VanDerWaalsContact O-CG 3.29Å; Y77-R81 WeakPolarHBondContact O-CG 3.2Å; Y77-R81 PolarHBondContact O-N 3.37Å |
| 78 | D | 97.2 | Very high | 96.9 | Very high | 76 Ų | 76 | 98.6 Ų | 98.6 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -49.9 | 177 | -67.8 | -1 | 0 | 0 | 0 | 111.1 | P74 M75 K80 R81 E82 | P74-D78 VanDerWaalsContact O-CG 3.23Å; P74-D78 PolarHBondContact O-N 2.9Å; M75-D78 PolarHBondContact O-N 2.99Å; D78-K80 VanDerWaalsContact C-N 3.28Å; D78-K80 PolarHBondContact O-N 2.86Å; D78-R81 PolarHBondContact O-N 2.99Å; D78-R81 VanDerWaalsContact O-N 3.12Å; D78-R81 IonicContact OD1-CZ 3.44Å; D78-R81 IonicContact OD1-NE 3.45Å; D78-R81 IonicContact OD1-NH2 3.61Å; D78-R81 PolarHBondContact OD1-NH2 3.43Å; D78-E82 PolarHBondContact O-N 2.65Å |
| 79 | A | 97.4 | Very high | 97 | Very high | 54 Ų | 54 | 100.4 Ų | 100.4 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.9 | -38.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | M75 N83 | M75-A79 WeakPolarHBondContact O-CB 3.37Å; M75-A79 PolarHBondContact O-N 3.33Å; A79-N83 VanDerWaalsContact O-CB 3.28Å; A79-N83 WeakPolarHBondContact O-CB 3.4Å; A79-N83 PolarHBondContact O-N 2.83Å |
| 80 | K | 97.9 | Very high | 97.1 | Very high | 126 Ų | 126 | 95.7 Ų | 95.7 | 55% | 0.548 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.4 | -41 | 175.3 | -77.1 | 178.4 | 178.8 | -176.4 | 0 | 112.4 | I76 Y77 D78 N83 L84 | I76-K80 HydrophobicContact CG2-CD 4.16Å; I76-K80 WeakPolarHBondContact O-CB 3.29Å; I76-K80 VanDerWaalsContact O-CG 3.28Å; I76-K80 WeakPolarHBondContact O-CG 3.18Å; I76-K80 PolarHBondContact O-N 2.89Å; Y77-K80 PolarHBondContact O-N 2.98Å; D78-K80 VanDerWaalsContact C-N 3.28Å; D78-K80 PolarHBondContact O-N 2.86Å; K80-N83 PolarHBondContact O-N 3.44Å; K80-L84 WeakPolarHBondContact O-CG 3.28Å; K80-L84 PolarHBondContact O-N 3.04Å |
| 81 | R | 97.7 | Very high | 97.3 | Very high | 168 Ų | 168 | 94.8 Ų | 94.8 | 63% | 0.634 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.9 | -45.1 | 176.6 | -73.2 | -173.5 | -65.4 | 171 | 8.4 | 111 | Y77 D78 L84 A85 | Y77-R81 VanDerWaalsContact O-CG 3.29Å; Y77-R81 WeakPolarHBondContact O-CG 3.2Å; Y77-R81 PolarHBondContact O-N 3.37Å; D78-R81 PolarHBondContact O-N 2.99Å; D78-R81 VanDerWaalsContact O-N 3.12Å; D78-R81 IonicContact OD1-CZ 3.44Å; D78-R81 IonicContact OD1-NE 3.45Å; D78-R81 IonicContact OD1-NH2 3.61Å; D78-R81 PolarHBondContact OD1-NH2 3.43Å; R81-L84 PolarHBondContact O-N 3.45Å; R81-A85 PolarHBondContact O-N 3.42Å |
| 82 | E | 97.6 | Very high | 97.5 | Very high | 128 Ų | 128 | 98.8 Ų | 98.8 | 60% | 0.598 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63 | -44.7 | 175.9 | -173.2 | -179.6 | 179.4 | 0 | 0 | 111.7 | D78 L84 A85 L86 | D78-E82 PolarHBondContact O-N 2.65Å; E82-L84 VanDerWaalsContact C-N 3.35Å; E82-L84 PolarHBondContact O-N 3.4Å; E82-A85 WeakPolarHBondContact O-CB 3.33Å; E82-A85 PolarHBondContact O-N 2.92Å; E82-L86 HydrophobicContact CG-CD1 4.26Å; E82-L86 WeakPolarHBondContact O-CG 3.48Å; E82-L86 PolarHBondContact O-N 3.01Å |
| 83 | N | 97.7 | Very high | 97.6 | Very high | 84 Ų | 84 | 101.8 Ų | 101.8 | 45% | 0.449 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 178.3 | -168.3 | -87.3 | 0 | 0 | 0 | 112.2 | A79 K80 L86 Q87 | A79-N83 VanDerWaalsContact O-CB 3.28Å; A79-N83 WeakPolarHBondContact O-CB 3.4Å; A79-N83 PolarHBondContact O-N 2.83Å; K80-N83 PolarHBondContact O-N 3.44Å; N83-L86 PolarHBondContact O-N 3.38Å; N83-Q87 WeakPolarHBondContact O-CG 3.02Å; N83-Q87 PolarHBondContact O-N 3.06Å; N83-Q87 PolarHBondContact OD1-NE2 3.12Å |
| 84 | L | 97.8 | Very high | 97.7 | Very high | 104 Ų | 104 | 104.7 Ų | 104.7 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | 175.3 | -73.2 | 172.1 | 0 | 0 | 0 | 112 | K80 R81 E82 L86 Q87 L88 | K80-L84 WeakPolarHBondContact O-CG 3.28Å; K80-L84 PolarHBondContact O-N 3.04Å; R81-L84 PolarHBondContact O-N 3.45Å; E82-L84 VanDerWaalsContact C-N 3.35Å; E82-L84 PolarHBondContact O-N 3.4Å; L84-L86 VanDerWaalsContact C-N 3.35Å; L84-L86 PolarHBondContact O-N 3.49Å; L84-Q87 PolarHBondContact O-N 3.17Å; L84-L88 WeakPolarHBondContact O-CG 3.05Å; L84-L88 PolarHBondContact O-N 3.31Å |
| 85 | A | 97.7 | Very high | 97.8 | Very high | 58 Ų | 58 | 110.3 Ų | 110.3 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R81 E82 L88 E89 | R81-A85 PolarHBondContact O-N 3.42Å; E82-A85 WeakPolarHBondContact O-CB 3.33Å; E82-A85 PolarHBondContact O-N 2.92Å; A85-L88 PolarHBondContact O-N 3.32Å; A85-E89 PolarHBondContact O-N 2.91Å |
| 86 | L | 98 | Very high | 97.8 | Very high | 93 Ų | 93 | 108.1 Ų | 108.1 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 176.2 | -71.6 | 171.6 | 0 | 0 | 0 | 112.3 | E82 N83 L84 E89 A90 | E82-L86 HydrophobicContact CG-CD1 4.26Å; E82-L86 WeakPolarHBondContact O-CG 3.48Å; E82-L86 PolarHBondContact O-N 3.01Å; N83-L86 PolarHBondContact O-N 3.38Å; L84-L86 VanDerWaalsContact C-N 3.35Å; L84-L86 PolarHBondContact O-N 3.49Å; L86-E89 PolarHBondContact O-N 3.35Å; L86-A90 WeakPolarHBondContact O-CB 3.41Å; L86-A90 PolarHBondContact O-N 2.92Å |
| 87 | Q | 97.9 | Very high | 97.9 | Very high | 108 Ų | 108 | 107 Ų | 107 | 51% | 0.505 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 176.3 | -72.7 | -179.4 | 19 | 0 | 0 | 111.8 | N83 L84 E89 A90 D91 | N83-Q87 WeakPolarHBondContact O-CG 3.02Å; N83-Q87 PolarHBondContact O-N 3.06Å; N83-Q87 PolarHBondContact OD1-NE2 3.12Å; L84-Q87 PolarHBondContact O-N 3.17Å; Q87-E89 VanDerWaalsContact C-N 3.3Å; Q87-E89 PolarHBondContact O-N 2.99Å; Q87-A90 PolarHBondContact O-N 2.91Å; Q87-D91 WeakPolarHBondContact O-CB 3.47Å; Q87-D91 PolarHBondContact O-N 3.11Å |
| 88 | L | 98 | Very high | 98 | Very high | 126 Ų | 126 | 106.1 Ų | 106.1 | 66% | 0.66 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | 176.5 | -71.7 | 170.6 | 0 | 0 | 0 | 111.7 | L84 A85 Y92 | L84-L88 WeakPolarHBondContact O-CG 3.05Å; L84-L88 PolarHBondContact O-N 3.31Å; A85-L88 PolarHBondContact O-N 3.32Å; L88-Y92 WeakPolarHBondContact O-CB 3.44Å; L88-Y92 PolarHBondContact O-N 2.93Å |
| 89 | E | 97.8 | Very high | 98 | Very high | 83 Ų | 83 | 105 Ų | 105 | 39% | 0.388 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 175.9 | -164.4 | -173.4 | -156.2 | 0 | 0 | 111.9 | A85 L86 Q87 Y92 R93 | A85-E89 PolarHBondContact O-N 2.91Å; L86-E89 PolarHBondContact O-N 3.35Å; Q87-E89 VanDerWaalsContact C-N 3.3Å; Q87-E89 PolarHBondContact O-N 2.99Å; E89-Y92 PolarHBondContact O-N 3.21Å; E89-R93 WeakPolarHBondContact O-CB 3.46Å; E89-R93 WeakPolarHBondContact O-CG 3.33Å; E89-R93 PolarHBondContact O-N 3.34Å; E89-R93 IonicContact OE1-CZ 3.45Å; E89-R93 IonicContact OE1-NH1 2.83Å; E89-R93 PolarHBondContact OE1-NH1 3.25Å; E89-R93 IonicContact OE1-NH2 3.43Å; E89-R93 PolarHBondContact OE1-NH2 3.42Å; E89-R93 IonicContact OE2-CZ 3.19Å; E89-R93 IonicContact OE2-NH1 2.65Å; E89-R93 PolarHBondContact OE2-NH1 3.41Å; E89-R93 IonicContact OE2-NH2 3.2Å; E89-R93 PolarHBondContact OE2-NH2 2.87Å |
| 90 | A | 98.3 | Very high | 98 | Very high | 54 Ų | 54 | 108.8 Ų | 108.8 | 45% | 0.446 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L86 Q87 Y92 R93 H94 | L86-A90 WeakPolarHBondContact O-CB 3.41Å; L86-A90 PolarHBondContact O-N 2.92Å; Q87-A90 PolarHBondContact O-N 2.91Å; A90-Y92 PolarHBondContact O-N 3.22Å; A90-R93 PolarHBondContact O-N 2.92Å; A90-H94 WeakPolarHBondContact O-CB 3.48Å; A90-H94 PolarHBondContact O-N 2.6Å |
| 91 | D | 98.2 | Very high | 98.1 | Very high | 89 Ų | 89 | 105.3 Ų | 105.3 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 175.7 | -85.3 | -0.2 | 0 | 0 | 0 | 111.7 | Q87 H94 R95 | Q87-D91 WeakPolarHBondContact O-CB 3.47Å; Q87-D91 PolarHBondContact O-N 3.11Å; D91-H94 PolarHBondContact O-N 3.18Å; D91-R95 VanDerWaalsContact O-CG 3.28Å; D91-R95 WeakPolarHBondContact O-CG 3.42Å; D91-R95 PolarHBondContact O-N 2.96Å |
| 92 | Y | 98.3 | Very high | 98.1 | Very high | 148 Ų | 148 | 100.4 Ų | 100.4 | 58% | 0.58 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.9 | -48.5 | 175.9 | 176.1 | -106.7 | 0 | 0 | 0 | 111.6 | L88 E89 A90 H94 R95 L96 | L88-Y92 WeakPolarHBondContact O-CB 3.44Å; L88-Y92 PolarHBondContact O-N 2.93Å; E89-Y92 PolarHBondContact O-N 3.21Å; A90-Y92 PolarHBondContact O-N 3.22Å; Y92-H94 VanDerWaalsContact C-N 3.33Å; Y92-H94 PolarHBondContact O-N 2.94Å; Y92-R95 PolarHBondContact O-N 2.9Å; Y92-L96 HydrophobicContact CD1-CD1 4.04Å; Y92-L96 HydrophobicContact CE1-CD1 3.41Å; Y92-L96 VanDerWaalsContact CE1-CD1 3.41Å; Y92-L96 HydrophobicContact CE1-CG 4.27Å; Y92-L96 HydrophobicContact CE2-CD1 4.25Å; Y92-L96 HydrophobicContact CE2-CG 4.33Å; Y92-L96 PolarHBondContact O-N 3.25Å |
| 93 | R | 98.3 | Very high | 98.1 | Very high | 144 Ų | 144 | 99.1 Ų | 99.1 | 54% | 0.543 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.1 | -40.6 | 176 | -75.2 | -177.6 | 176.9 | 126 | 4.1 | 111.9 | E89 A90 L96 A97 | E89-R93 WeakPolarHBondContact O-CB 3.46Å; E89-R93 WeakPolarHBondContact O-CG 3.33Å; E89-R93 PolarHBondContact O-N 3.34Å; E89-R93 IonicContact OE1-CZ 3.45Å; E89-R93 IonicContact OE1-NH1 2.83Å; E89-R93 PolarHBondContact OE1-NH1 3.25Å; E89-R93 IonicContact OE1-NH2 3.43Å; E89-R93 PolarHBondContact OE1-NH2 3.42Å; E89-R93 IonicContact OE2-CZ 3.19Å; E89-R93 IonicContact OE2-NH1 2.65Å; E89-R93 PolarHBondContact OE2-NH1 3.41Å; E89-R93 IonicContact OE2-NH2 3.2Å; E89-R93 PolarHBondContact OE2-NH2 2.87Å; A90-R93 PolarHBondContact O-N 2.92Å; R93-L96 PolarHBondContact O-N 3.5Å; R93-A97 WeakPolarHBondContact O-CB 3.5Å; R93-A97 PolarHBondContact O-N 3.34Å |
| 94 | H | 98.3 | Very high | 98.1 | Very high | 131 Ų | 131 | 100.1 Ų | 100.1 | 61% | 0.606 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.3 | -46 | 177.3 | -177.7 | 71.2 | 0 | 0 | 0 | 111.6 | A90 D91 Y92 L96 A97 F98 | A90-H94 WeakPolarHBondContact O-CB 3.48Å; A90-H94 PolarHBondContact O-N 2.6Å; D91-H94 PolarHBondContact O-N 3.18Å; Y92-H94 VanDerWaalsContact C-N 3.33Å; Y92-H94 PolarHBondContact O-N 2.94Å; H94-L96 PolarHBondContact O-N 2.67Å; H94-A97 PolarHBondContact O-N 3.46Å; H94-F98 WeakPolarHBondContact O-CB 3.27Å; H94-F98 PolarHBondContact O-N 2.89Å |
| 95 | R | 98.4 | Very high | 98.2 | Very high | 178 Ų | 178 | 101.6 Ų | 101.6 | 67% | 0.672 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.9 | -41.9 | 176.9 | -69.3 | 171.3 | -171.1 | -155.1 | 4.1 | 112.3 | D91 Y92 F98 A99 | D91-R95 VanDerWaalsContact O-CG 3.28Å; D91-R95 WeakPolarHBondContact O-CG 3.42Å; D91-R95 PolarHBondContact O-N 2.96Å; Y92-R95 PolarHBondContact O-N 2.9Å; R95-F98 PolarHBondContact O-N 3.5Å; R95-A99 PolarHBondContact O-N 3.03Å |
| 96 | L | 98.1 | Very high | 98.2 | Very high | 91 Ų | 91 | 106.7 Ų | 106.7 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 175.2 | -73.3 | -179.6 | 0 | 0 | 0 | 112.2 | Y92 R93 H94 F98 A99 H100 | Y92-L96 HydrophobicContact CD1-CD1 4.04Å; Y92-L96 HydrophobicContact CE1-CD1 3.41Å; Y92-L96 VanDerWaalsContact CE1-CD1 3.41Å; Y92-L96 HydrophobicContact CE1-CG 4.27Å; Y92-L96 HydrophobicContact CE2-CD1 4.25Å; Y92-L96 HydrophobicContact CE2-CG 4.33Å; Y92-L96 PolarHBondContact O-N 3.25Å; R93-L96 PolarHBondContact O-N 3.5Å; H94-L96 PolarHBondContact O-N 2.67Å; L96-F98 VanDerWaalsContact C-N 3.32Å; L96-F98 PolarHBondContact O-N 3.37Å; L96-A99 PolarHBondContact O-N 3.3Å; L96-H100 WeakPolarHBondContact O-CB 3.49Å; L96-H100 PolarHBondContact O-N 3.48Å |
| 97 | A | 98.4 | Very high | 98.2 | Very high | 59 Ų | 59 | 107.7 Ų | 107.7 | 49% | 0.488 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62 | -41 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | R93 H94 H100 A101 | R93-A97 WeakPolarHBondContact O-CB 3.5Å; R93-A97 PolarHBondContact O-N 3.34Å; H94-A97 PolarHBondContact O-N 3.46Å; A97-H100 PolarHBondContact O-N 2.94Å; A97-A101 WeakPolarHBondContact O-CB 3.45Å; A97-A101 PolarHBondContact O-N 3.48Å |
| 98 | F | 98.4 | Very high | 98.2 | Very high | 127 Ų | 127 | 105.6 Ų | 105.6 | 56% | 0.557 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -49.1 | 175.3 | -178.4 | -96.3 | 0 | 0 | 0 | 111.9 | H94 R95 L96 H100 A101 E102 | H94-F98 WeakPolarHBondContact O-CB 3.27Å; H94-F98 PolarHBondContact O-N 2.89Å; R95-F98 PolarHBondContact O-N 3.5Å; L96-F98 VanDerWaalsContact C-N 3.32Å; L96-F98 PolarHBondContact O-N 3.37Å; F98-H100 VanDerWaalsContact C-N 3.33Å; F98-H100 PolarHBondContact O-N 3.3Å; F98-A101 PolarHBondContact O-N 3.5Å; F98-E102 HydrophobicContact CD1-CG 4.49Å; F98-E102 HydrophobicContact CE1-CG 4.03Å; F98-E102 HydrophobicContact CE2-CG 4.49Å; F98-E102 HydrophobicContact CZ-CG 4.02Å; F98-E102 PolarHBondContact O-N 3.26Å |
| 99 | A | 98.1 | Very high | 98.2 | Very high | 53 Ų | 53 | 107.1 Ų | 107.1 | 44% | 0.438 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.1 | -43.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | R95 L96 E102 V103 | R95-A99 PolarHBondContact O-N 3.03Å; L96-A99 PolarHBondContact O-N 3.3Å; A99-E102 PolarHBondContact O-N 3.11Å; A99-V103 WeakPolarHBondContact O-CG2 3.45Å; A99-V103 PolarHBondContact O-N 2.99Å; A99-V103 VanDerWaalsContact O-N 3.1Å |
| 100 | H | 98.3 | Very high | 98.3 | Very high | 132 Ų | 132 | 109 Ų | 109 | 61% | 0.611 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.2 | -44.6 | 176 | 177.5 | -92.6 | 0 | 0 | 0 | 112 | L96 A97 F98 E102 V103 K104 | L96-H100 WeakPolarHBondContact O-CB 3.49Å; L96-H100 PolarHBondContact O-N 3.48Å; A97-H100 PolarHBondContact O-N 2.94Å; F98-H100 VanDerWaalsContact C-N 3.33Å; F98-H100 PolarHBondContact O-N 3.3Å; H100-E102 PolarHBondContact O-N 3.27Å; H100-V103 PolarHBondContact O-N 3.12Å; H100-K104 VanDerWaalsContact O-CB 3.3Å; H100-K104 WeakPolarHBondContact O-CB 3.22Å; H100-K104 PolarHBondContact O-N 3.38Å |
| 101 | A | 98.4 | Very high | 98.2 | Very high | 54 Ų | 54 | 109.1 Ų | 109.1 | 45% | 0.446 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A97 F98 K104 K105 | A97-A101 WeakPolarHBondContact O-CB 3.45Å; A97-A101 PolarHBondContact O-N 3.48Å; F98-A101 PolarHBondContact O-N 3.5Å; A101-K104 PolarHBondContact O-N 3.46Å; A101-K105 VanDerWaalsContact O-CB 3.29Å; A101-K105 WeakPolarHBondContact O-CB 3.34Å; A101-K105 PolarHBondContact O-N 3.07Å |
| 102 | E | 97.9 | Very high | 98.2 | Very high | 65 Ų | 65 | 109.8 Ų | 109.8 | 30% | 0.304 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 177 | -77.6 | -62.4 | 152.3 | 0 | 0 | 112.7 | F98 A99 H100 K105 R106 | F98-E102 HydrophobicContact CD1-CG 4.49Å; F98-E102 HydrophobicContact CE1-CG 4.03Å; F98-E102 HydrophobicContact CE2-CG 4.49Å; F98-E102 HydrophobicContact CZ-CG 4.02Å; F98-E102 PolarHBondContact O-N 3.26Å; A99-E102 PolarHBondContact O-N 3.11Å; H100-E102 PolarHBondContact O-N 3.27Å; E102-K105 PolarHBondContact O-N 2.99Å; E102-R106 WeakPolarHBondContact O-CG 3.36Å; E102-R106 PolarHBondContact O-N 3.42Å |
| 103 | V | 98 | Very high | 98.2 | Very high | 101 Ų | 101 | 106 Ų | 106 | 61% | 0.612 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.9 | -45.4 | 175.5 | 173.7 | 0 | 0 | 0 | 0 | 110.7 | A99 H100 K105 R106 L107 | A99-V103 WeakPolarHBondContact O-CG2 3.45Å; A99-V103 PolarHBondContact O-N 2.99Å; A99-V103 VanDerWaalsContact O-N 3.1Å; H100-V103 PolarHBondContact O-N 3.12Å; V103-K105 VanDerWaalsContact C-N 3.34Å; V103-K105 PolarHBondContact O-N 3.46Å; V103-R106 PolarHBondContact O-N 2.84Å; V103-L107 PolarHBondContact O-N 3.25Å |
| 104 | K | 98.4 | Very high | 98.2 | Very high | 104 Ų | 104 | 102.3 Ų | 102.3 | 45% | 0.452 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 176.5 | 174.8 | 166.5 | 172.2 | 48.6 | 0 | 111.5 | H100 A101 R106 L107 D108 | H100-K104 VanDerWaalsContact O-CB 3.3Å; H100-K104 WeakPolarHBondContact O-CB 3.22Å; H100-K104 PolarHBondContact O-N 3.38Å; A101-K104 PolarHBondContact O-N 3.46Å; K104-R106 VanDerWaalsContact C-N 3.29Å; K104-R106 PolarHBondContact O-N 3.5Å; K104-L107 PolarHBondContact O-N 3.06Å; K104-L107 VanDerWaalsContact O-N 3.14Å; K104-D108 WeakPolarHBondContact CE-OD2 3.33Å; K104-D108 VanDerWaalsContact CG-OD2 3.28Å; K104-D108 WeakPolarHBondContact CG-OD2 3.35Å; K104-D108 IonicContact NZ-OD1 2.78Å; K104-D108 PolarHBondContact NZ-OD1 3.24Å; K104-D108 IonicContact NZ-OD2 2.79Å; K104-D108 PolarHBondContact NZ-OD2 3.31Å; K104-D108 WeakPolarHBondContact O-CB 3.41Å; K104-D108 VanDerWaalsContact O-CG 3.28Å; K104-D108 PolarHBondContact O-N 2.91Å |
| 105 | K | 98.3 | Very high | 98.2 | Very high | 136 Ų | 136 | 98.8 Ų | 98.8 | 59% | 0.591 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.7 | -41.3 | 177.3 | -178.9 | -179.3 | 177.4 | -176.9 | 0 | 112.4 | A101 E102 V103 Y109 | A101-K105 VanDerWaalsContact O-CB 3.29Å; A101-K105 WeakPolarHBondContact O-CB 3.34Å; A101-K105 PolarHBondContact O-N 3.07Å; E102-K105 PolarHBondContact O-N 2.99Å; V103-K105 VanDerWaalsContact C-N 3.34Å; V103-K105 PolarHBondContact O-N 3.46Å; K105-Y109 WeakPolarHBondContact O-CB 3.43Å; K105-Y109 PolarHBondContact O-N 3.33Å |
| 106 | R | 98.2 | Very high | 98.2 | Very high | 164 Ų | 164 | 95 Ų | 95 | 62% | 0.619 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.7 | -41.9 | 176.8 | -68.2 | 171.3 | -172.6 | -86.9 | -2 | 111.9 | E102 V103 K104 Y109 M110 | E102-R106 WeakPolarHBondContact O-CG 3.36Å; E102-R106 PolarHBondContact O-N 3.42Å; V103-R106 PolarHBondContact O-N 2.84Å; K104-R106 VanDerWaalsContact C-N 3.29Å; K104-R106 PolarHBondContact O-N 3.5Å; R106-Y109 PolarHBondContact O-N 2.87Å; R106-M110 WeakPolarHBondContact O-CG 3.36Å; R106-M110 PolarHBondContact O-N 2.96Å |
| 107 | L | 98.2 | Very high | 98.2 | Very high | 114 Ų | 114 | 96.9 Ų | 96.9 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.7 | -47.3 | 177.8 | -174.2 | 73.9 | 0 | 0 | 0 | 111.4 | V103 K104 Y109 M110 A111 | V103-L107 PolarHBondContact O-N 3.25Å; K104-L107 PolarHBondContact O-N 3.06Å; K104-L107 VanDerWaalsContact O-N 3.14Å; L107-Y109 VanDerWaalsContact C-N 3.32Å; L107-Y109 PolarHBondContact O-N 2.95Å; L107-M110 PolarHBondContact O-N 2.94Å; L107-M110 VanDerWaalsContact O-N 3.16Å; L107-A111 PolarHBondContact O-N 3.26Å |
| 108 | D | 98.5 | Very high | 98.2 | Very high | 64 Ų | 64 | 102.3 Ų | 102.3 | 34% | 0.342 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 178.2 | -68.7 | -18.1 | 0 | 0 | 0 | 109.9 | K104 M110 A111 D112 | K104-D108 WeakPolarHBondContact CE-OD2 3.33Å; K104-D108 VanDerWaalsContact CG-OD2 3.28Å; K104-D108 WeakPolarHBondContact CG-OD2 3.35Å; K104-D108 IonicContact NZ-OD1 2.78Å; K104-D108 PolarHBondContact NZ-OD1 3.24Å; K104-D108 IonicContact NZ-OD2 2.79Å; K104-D108 PolarHBondContact NZ-OD2 3.31Å; K104-D108 WeakPolarHBondContact O-CB 3.41Å; K104-D108 VanDerWaalsContact O-CG 3.28Å; K104-D108 PolarHBondContact O-N 2.91Å; D108-M110 PolarHBondContact O-N 3.01Å; D108-A111 PolarHBondContact O-N 3.01Å; D108-D112 WeakPolarHBondContact O-CB 3.48Å; D108-D112 PolarHBondContact O-N 3.35Å |
| 109 | Y | 98.5 | Very high | 98.2 | Very high | 159 Ų | 159 | 102.2 Ų | 102.2 | 62% | 0.624 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.9 | -45.2 | 173.2 | 175.4 | -101.4 | 0 | 0 | 0 | 112.8 | K105 R106 L107 A111 D112 V113 | K105-Y109 WeakPolarHBondContact O-CB 3.43Å; K105-Y109 PolarHBondContact O-N 3.33Å; R106-Y109 PolarHBondContact O-N 2.87Å; L107-Y109 VanDerWaalsContact C-N 3.32Å; L107-Y109 PolarHBondContact O-N 2.95Å; Y109-A111 VanDerWaalsContact C-N 3.35Å; Y109-A111 PolarHBondContact O-N 3.22Å; Y109-D112 PolarHBondContact O-N 3.5Å; Y109-V113 HydrophobicContact CD1-CG2 4.27Å; Y109-V113 HydrophobicContact CD2-CG2 4.3Å; Y109-V113 HydrophobicContact CE1-CG2 3.83Å; Y109-V113 HydrophobicContact CE2-CG2 3.87Å; Y109-V113 HydrophobicContact CG-CG2 4.49Å; Y109-V113 VanDerWaalsContact O-CG2 3.27Å; Y109-V113 WeakPolarHBondContact O-CG2 3.43Å; Y109-V113 PolarHBondContact O-N 3.38Å |
| 110 | M | 98 | Very high | 98.1 | Very high | 122 Ų | 122 | 107.3 Ų | 107.3 | 60% | 0.601 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.6 | -40.9 | 177.6 | -71 | 176.2 | -175.2 | 0 | 0 | 111.9 | R106 L107 D108 V113 V114 | R106-M110 WeakPolarHBondContact O-CG 3.36Å; R106-M110 PolarHBondContact O-N 2.96Å; L107-M110 PolarHBondContact O-N 2.94Å; L107-M110 VanDerWaalsContact O-N 3.16Å; D108-M110 PolarHBondContact O-N 3.01Å; M110-V113 PolarHBondContact O-N 3Å; M110-V114 WeakPolarHBondContact O-CG2 3.41Å; M110-V114 PolarHBondContact O-N 3.27Å; M110-V114 VanDerWaalsContact O-N 3.1Å |
| 111 | A | 98 | Very high | 98.1 | Very high | 56 Ų | 56 | 105.9 Ų | 105.9 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L107 D108 Y109 V114 A115 | L107-A111 PolarHBondContact O-N 3.26Å; D108-A111 PolarHBondContact O-N 3.01Å; Y109-A111 VanDerWaalsContact C-N 3.35Å; Y109-A111 PolarHBondContact O-N 3.22Å; A111-V114 PolarHBondContact O-N 2.92Å; A111-A115 WeakPolarHBondContact O-CB 3.48Å; A111-A115 PolarHBondContact O-N 2.93Å |
| 112 | D | 98.1 | Very high | 98 | Very high | 104 Ų | 104 | 105.6 Ų | 105.6 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64 | -43.9 | 177.9 | -74.8 | -17.7 | 0 | 0 | 0 | 112 | D108 Y109 V114 A115 V116 | D108-D112 WeakPolarHBondContact O-CB 3.48Å; D108-D112 PolarHBondContact O-N 3.35Å; Y109-D112 PolarHBondContact O-N 3.5Å; D112-V114 VanDerWaalsContact C-N 3.31Å; D112-V114 PolarHBondContact O-N 3.17Å; D112-A115 PolarHBondContact O-N 2.91Å; D112-V116 WeakPolarHBondContact O-CB 3.5Å; D112-V116 VanDerWaalsContact O-CG2 3.3Å; D112-V116 WeakPolarHBondContact O-CG2 3.38Å; D112-V116 PolarHBondContact O-N 3.09Å |
| 113 | V | 98.2 | Very high | 98 | Very high | 68 Ų | 68 | 109.9 Ų | 109.9 | 41% | 0.412 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 175.8 | 168.9 | 0 | 0 | 0 | 0 | 111 | Y109 M110 K117 | Y109-V113 HydrophobicContact CD1-CG2 4.27Å; Y109-V113 HydrophobicContact CD2-CG2 4.3Å; Y109-V113 HydrophobicContact CE1-CG2 3.83Å; Y109-V113 HydrophobicContact CE2-CG2 3.87Å; Y109-V113 HydrophobicContact CG-CG2 4.49Å; Y109-V113 VanDerWaalsContact O-CG2 3.27Å; Y109-V113 WeakPolarHBondContact O-CG2 3.43Å; Y109-V113 PolarHBondContact O-N 3.38Å; M110-V113 PolarHBondContact O-N 3Å; V113-K117 VanDerWaalsContact O-CB 3.29Å; V113-K117 WeakPolarHBondContact O-CB 3.23Å; V113-K117 PolarHBondContact O-N 3.47Å |
| 114 | V | 98.1 | Very high | 98 | Very high | 67 Ų | 67 | 109.5 Ų | 109.5 | 41% | 0.406 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 177.2 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | M110 A111 D112 K117 R118 | M110-V114 WeakPolarHBondContact O-CG2 3.41Å; M110-V114 PolarHBondContact O-N 3.27Å; M110-V114 VanDerWaalsContact O-N 3.1Å; A111-V114 PolarHBondContact O-N 2.92Å; D112-V114 VanDerWaalsContact C-N 3.31Å; D112-V114 PolarHBondContact O-N 3.17Å; V114-K117 PolarHBondContact O-N 3.24Å; V114-R118 HydrophobicContact CG1-CG 4.45Å; V114-R118 WeakPolarHBondContact O-CB 3.34Å; V114-R118 WeakPolarHBondContact O-CG 3.29Å; V114-R118 PolarHBondContact O-N 2.91Å |
| 115 | A | 98 | Very high | 97.9 | Very high | 56 Ų | 56 | 109.6 Ų | 109.6 | 46% | 0.463 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A111 D112 R118 K119 | A111-A115 WeakPolarHBondContact O-CB 3.48Å; A111-A115 PolarHBondContact O-N 2.93Å; D112-A115 PolarHBondContact O-N 2.91Å; A115-R118 PolarHBondContact O-N 3.3Å; A115-K119 WeakPolarHBondContact O-CB 3.32Å; A115-K119 PolarHBondContact O-N 2.85Å |
| 116 | V | 98 | Very high | 97.8 | Very high | 98 Ų | 98 | 106.8 Ų | 106.8 | 59% | 0.594 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -44.5 | 176.6 | 172.3 | 0 | 0 | 0 | 0 | 111 | D112 R118 K119 Y120 | D112-V116 WeakPolarHBondContact O-CB 3.5Å; D112-V116 VanDerWaalsContact O-CG2 3.3Å; D112-V116 WeakPolarHBondContact O-CG2 3.38Å; D112-V116 PolarHBondContact O-N 3.09Å; V116-R118 PolarHBondContact O-N 2.93Å; V116-K119 PolarHBondContact O-N 3.37Å; V116-Y120 PolarHBondContact O-N 3.01Å |
| 117 | K | 98 | Very high | 97.7 | Very high | 131 Ų | 131 | 103.3 Ų | 103.3 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -59.6 | -46.9 | 177.1 | -176.3 | 174.6 | -178.3 | 175.9 | 0 | 111.7 | V113 V114 K119 Y120 Q121 | V113-K117 VanDerWaalsContact O-CB 3.29Å; V113-K117 WeakPolarHBondContact O-CB 3.23Å; V113-K117 PolarHBondContact O-N 3.47Å; V114-K117 PolarHBondContact O-N 3.24Å; K117-K119 PolarHBondContact O-N 3.45Å; K117-Y120 PolarHBondContact O-N 3.2Å; K117-Q121 WeakPolarHBondContact O-CB 3.38Å; K117-Q121 VanDerWaalsContact O-CG 3.29Å; K117-Q121 WeakPolarHBondContact O-CG 3.41Å; K117-Q121 PolarHBondContact O-N 3.47Å |
| 118 | R | 98 | Very high | 97.7 | Very high | 173 Ų | 173 | 105.5 Ų | 105.5 | 65% | 0.653 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.5 | -43.5 | 176.4 | -73.9 | 175.5 | -179.3 | 178.6 | 1.7 | 111.7 | V114 A115 V116 Q121 A122 | V114-R118 HydrophobicContact CG1-CG 4.45Å; V114-R118 WeakPolarHBondContact O-CB 3.34Å; V114-R118 WeakPolarHBondContact O-CG 3.29Å; V114-R118 PolarHBondContact O-N 2.91Å; A115-R118 PolarHBondContact O-N 3.3Å; V116-R118 PolarHBondContact O-N 2.93Å; R118-Q121 PolarHBondContact O-N 2.89Å; R118-A122 WeakPolarHBondContact O-CB 3.23Å; R118-A122 PolarHBondContact O-N 3.39Å |
| 119 | K | 98 | Very high | 97.5 | Very high | 125 Ų | 125 | 106.2 Ų | 106.2 | 54% | 0.543 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 177.1 | -173.9 | 176.8 | -178.7 | 177.3 | 0 | 112.1 | A115 V116 K117 R123 | A115-K119 WeakPolarHBondContact O-CB 3.32Å; A115-K119 PolarHBondContact O-N 2.85Å; V116-K119 PolarHBondContact O-N 3.37Å; K117-K119 PolarHBondContact O-N 3.45Å; K119-R123 WeakPolarHBondContact O-CG 3.33Å; K119-R123 PolarHBondContact O-N 3.33Å |
| 120 | Y | 97.8 | Very high | 97.4 | Very high | 160 Ų | 160 | 102.5 Ų | 102.5 | 63% | 0.627 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -45.7 | 176.3 | -177.9 | -96.7 | 0 | 0 | 0 | 111.8 | V116 K117 A122 R123 N124 | V116-Y120 PolarHBondContact O-N 3.01Å; K117-Y120 PolarHBondContact O-N 3.2Å; Y120-A122 PolarHBondContact O-N 3.39Å; Y120-R123 PolarHBondContact O-N 3.38Å; Y120-N124 WeakPolarHBondContact O-CB 3.44Å; Y120-N124 PolarHBondContact O-N 2.97Å |
| 121 | Q | 97.5 | Very high | 97.2 | Very high | 103 Ų | 103 | 103.9 Ų | 103.9 | 48% | 0.481 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.6 | -44.8 | 175.9 | -73.3 | 174.1 | -33.5 | 0 | 0 | 111.9 | K117 R118 N124 M125 | K117-Q121 WeakPolarHBondContact O-CB 3.38Å; K117-Q121 VanDerWaalsContact O-CG 3.29Å; K117-Q121 WeakPolarHBondContact O-CG 3.41Å; K117-Q121 PolarHBondContact O-N 3.47Å; R118-Q121 PolarHBondContact O-N 2.89Å; Q121-N124 PolarHBondContact O-N 3.42Å; Q121-M125 WeakPolarHBondContact O-CB 3.44Å; Q121-M125 PolarHBondContact O-N 2.88Å |
| 122 | A | 97.1 | Very high | 97 | Very high | 48 Ų | 48 | 105 Ų | 105 | 40% | 0.397 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R118 Y120 M125 V126 | R118-A122 WeakPolarHBondContact O-CB 3.23Å; R118-A122 PolarHBondContact O-N 3.39Å; Y120-A122 PolarHBondContact O-N 3.39Å; A122-M125 PolarHBondContact O-N 3.39Å; A122-V126 WeakPolarHBondContact O-CG2 3.03Å; A122-V126 PolarHBondContact O-N 2.91Å |
| 123 | R | 97.8 | Very high | 96.7 | Very high | 154 Ų | 154 | 104 Ų | 104 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.4 | -49.7 | 175.2 | -75.9 | 176.8 | 173.5 | -170.2 | -6.7 | 111.9 | K119 Y120 M125 V126 D127 | K119-R123 WeakPolarHBondContact O-CG 3.33Å; K119-R123 PolarHBondContact O-N 3.33Å; Y120-R123 PolarHBondContact O-N 3.38Å; R123-M125 VanDerWaalsContact C-N 3.28Å; R123-M125 PolarHBondContact O-N 2.94Å; R123-V126 PolarHBondContact O-N 3.33Å; R123-D127 WeakPolarHBondContact O-CB 3.47Å; R123-D127 VanDerWaalsContact O-CG 3.29Å; R123-D127 PolarHBondContact O-N 2.79Å |
| 124 | N | 97.2 | Very high | 96.3 | Very high | 93 Ų | 93 | 105.4 Ų | 105.4 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.3 | -38.9 | 178.5 | -177.9 | 76.1 | 0 | 0 | 0 | 112.1 | Y120 Q121 W128 | Y120-N124 WeakPolarHBondContact O-CB 3.44Å; Y120-N124 PolarHBondContact O-N 2.97Å; Q121-N124 PolarHBondContact O-N 3.42Å; N124-W128 VanDerWaalsContact O-CB 3.25Å; N124-W128 WeakPolarHBondContact O-CB 3.43Å; N124-W128 PolarHBondContact O-N 2.89Å |
| 125 | M | 96.4 | Very high | 96 | Very high | 107 Ų | 107 | 109.7 Ų | 109.7 | 53% | 0.527 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 175.2 | -176.9 | -174.2 | 74.2 | 0 | 0 | 111.6 | Q121 A122 R123 W128 I129 | Q121-M125 WeakPolarHBondContact O-CB 3.44Å; Q121-M125 PolarHBondContact O-N 2.88Å; A122-M125 PolarHBondContact O-N 3.39Å; R123-M125 VanDerWaalsContact C-N 3.28Å; R123-M125 PolarHBondContact O-N 2.94Å; M125-W128 PolarHBondContact O-N 2.98Å; M125-I129 HydrophobicContact CG-CD1 3.88Å; M125-I129 WeakPolarHBondContact O-CB 3.21Å; M125-I129 WeakPolarHBondContact O-CG1 3.29Å; M125-I129 PolarHBondContact O-N 2.64Å |
| 126 | V | 96.8 | Very high | 95.5 | Very high | 77 Ų | 77 | 109.8 Ų | 109.8 | 47% | 0.467 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 177.2 | 172.6 | 0 | 0 | 0 | 0 | 110.9 | A122 R123 W128 I129 V130 | A122-V126 WeakPolarHBondContact O-CG2 3.03Å; A122-V126 PolarHBondContact O-N 2.91Å; R123-V126 PolarHBondContact O-N 3.33Å; V126-W128 VanDerWaalsContact C-N 3.3Å; V126-W128 PolarHBondContact O-N 3.27Å; V126-I129 PolarHBondContact O-N 3.41Å; V126-V130 HydrophobicContact CG1-CG2 4.32Å; V126-V130 VanDerWaalsContact O-CG2 3.3Å; V126-V130 WeakPolarHBondContact O-CG2 3.31Å; V126-V130 PolarHBondContact O-N 3.45Å |
| 127 | D | 96.7 | Very high | 94.9 | Very high | 91 Ų | 91 | 108.7 Ų | 108.7 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 178.2 | -69.6 | -16.5 | 0 | 0 | 0 | 111.7 | R123 K131 | R123-D127 WeakPolarHBondContact O-CB 3.47Å; R123-D127 VanDerWaalsContact O-CG 3.29Å; R123-D127 PolarHBondContact O-N 2.79Å; D127-K131 WeakPolarHBondContact O-CB 3.5Å; D127-K131 VanDerWaalsContact O-CG 3.25Å; D127-K131 WeakPolarHBondContact O-CG 3.37Å; D127-K131 PolarHBondContact O-N 2.92Å |
| 128 | W | 96.7 | Very high | 94.2 | Very high | 160 Ų | 160 | 105.3 Ų | 105.3 | 61% | 0.606 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67 | -46.1 | 175.4 | -177.9 | 82.7 | 0 | 0 | 0 | 111.8 | N124 M125 V126 V130 K131 E132 | N124-W128 VanDerWaalsContact O-CB 3.25Å; N124-W128 WeakPolarHBondContact O-CB 3.43Å; N124-W128 PolarHBondContact O-N 2.89Å; M125-W128 PolarHBondContact O-N 2.98Å; V126-W128 VanDerWaalsContact C-N 3.3Å; V126-W128 PolarHBondContact O-N 3.27Å; W128-V130 PolarHBondContact O-N 2.94Å; W128-K131 PolarHBondContact O-N 3.35Å; W128-E132 HydrophobicContact CZ2-CG 4.46Å; W128-E132 WeakPolarHBondContact O-CB 3.4Å; W128-E132 PolarHBondContact O-N 3.02Å |
| 129 | I | 95.3 | Very high | 93.4 | Very high | 79 Ų | 79 | 100.8 Ų | 100.8 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.2 | -46.7 | 176.4 | -68.9 | 166 | 0 | 0 | 0 | 110.3 | M125 V126 K131 E132 V133 | M125-I129 HydrophobicContact CG-CD1 3.88Å; M125-I129 WeakPolarHBondContact O-CB 3.21Å; M125-I129 WeakPolarHBondContact O-CG1 3.29Å; M125-I129 PolarHBondContact O-N 2.64Å; V126-I129 PolarHBondContact O-N 3.41Å; I129-K131 PolarHBondContact O-N 3.5Å; I129-E132 PolarHBondContact O-N 2.9Å; I129-V133 HydrophobicContact CG2-CG2 4.19Å; I129-V133 WeakPolarHBondContact O-CB 3.35Å; I129-V133 WeakPolarHBondContact O-CG2 3.49Å; I129-V133 PolarHBondContact O-N 2.8Å |
| 130 | V | 95.4 | Very high | 92.5 | Very high | 81 Ų | 81 | 101 Ų | 101 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 179.5 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | V126 W128 V133 V134 | V126-V130 HydrophobicContact CG1-CG2 4.32Å; V126-V130 VanDerWaalsContact O-CG2 3.3Å; V126-V130 WeakPolarHBondContact O-CG2 3.31Å; V126-V130 PolarHBondContact O-N 3.45Å; W128-V130 PolarHBondContact O-N 2.94Å; V130-V133 PolarHBondContact O-N 2.95Å; V130-V134 HydrophobicContact CG1-CG2 4.44Å; V130-V134 WeakPolarHBondContact O-CB 3.38Å; V130-V134 VanDerWaalsContact O-CG2 3.23Å; V130-V134 WeakPolarHBondContact O-CG2 3.33Å; V130-V134 PolarHBondContact O-N 3.21Å |
| 131 | K | 95 | Very high | 91.8 | Very high | 151 Ų | 151 | 97.4 Ų | 97.4 | 66% | 0.657 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.2 | -43.9 | 177.4 | -75.8 | 173 | -176.2 | 175.8 | 0 | 112.5 | D127 W128 I129 V134 K135 | D127-K131 WeakPolarHBondContact O-CB 3.5Å; D127-K131 VanDerWaalsContact O-CG 3.25Å; D127-K131 WeakPolarHBondContact O-CG 3.37Å; D127-K131 PolarHBondContact O-N 2.92Å; W128-K131 PolarHBondContact O-N 3.35Å; I129-K131 PolarHBondContact O-N 3.5Å; K131-V134 PolarHBondContact O-N 2.9Å; K131-K135 VanDerWaalsContact O-CB 3.31Å; K131-K135 WeakPolarHBondContact O-CB 3.3Å; K131-K135 PolarHBondContact O-N 3.38Å |
| 132 | E | 93.2 | Very high | 91.2 | Very high | 80 Ų | 80 | 97.7 Ų | 97.7 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.8 | -38 | -178.6 | -159.6 | 61.9 | -153.9 | 0 | 0 | 111.5 | W128 I129 K135 A136 | W128-E132 HydrophobicContact CZ2-CG 4.46Å; W128-E132 WeakPolarHBondContact O-CB 3.4Å; W128-E132 PolarHBondContact O-N 3.02Å; I129-E132 PolarHBondContact O-N 2.9Å; E132-K135 PolarHBondContact O-N 3.26Å; E132-K135 IonicContact OE1-NZ 4Å; E132-A136 VanDerWaalsContact O-CB 3.31Å; E132-A136 WeakPolarHBondContact O-CB 3.47Å; E132-A136 PolarHBondContact O-N 2.81Å |
| 133 | V | 91.7 | Very high | 90.6 | Very high | 82 Ų | 82 | 102.3 Ų | 102.3 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.4 | -47.8 | 172.8 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | I129 V130 K135 A136 I137 | I129-V133 HydrophobicContact CG2-CG2 4.19Å; I129-V133 WeakPolarHBondContact O-CB 3.35Å; I129-V133 WeakPolarHBondContact O-CG2 3.49Å; I129-V133 PolarHBondContact O-N 2.8Å; V130-V133 PolarHBondContact O-N 2.95Å; V133-K135 VanDerWaalsContact C-N 3.28Å; V133-K135 PolarHBondContact O-N 2.9Å; V133-A136 PolarHBondContact O-N 3.43Å; V133-I137 HydrophobicContact CG1-CD1 4.44Å; V133-I137 WeakPolarHBondContact O-CG1 3.45Å; V133-I137 PolarHBondContact O-N 2.85Å |
| 134 | V | 90.7 | Very high | 90.1 | Very high | 97 Ų | 97 | 96.7 Ų | 96.7 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.4 | -38.6 | 177.3 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | V130 K131 | V130-V134 HydrophobicContact CG1-CG2 4.44Å; V130-V134 WeakPolarHBondContact O-CB 3.38Å; V130-V134 VanDerWaalsContact O-CG2 3.23Å; V130-V134 WeakPolarHBondContact O-CG2 3.33Å; V130-V134 PolarHBondContact O-N 3.21Å; K131-V134 PolarHBondContact O-N 2.9Å |
| 135 | K | 90.5 | Very high | 89.7 | Confident | 157 Ų | 157 | 95.3 Ų | 95.3 | 68% | 0.683 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.5 | -33.1 | 177.1 | -175 | -175.5 | 171.5 | -160.3 | 0 | 113.2 | K131 E132 V133 I137 | K131-K135 VanDerWaalsContact O-CB 3.31Å; K131-K135 WeakPolarHBondContact O-CB 3.3Å; K131-K135 PolarHBondContact O-N 3.38Å; E132-K135 PolarHBondContact O-N 3.26Å; E132-K135 IonicContact OE1-NZ 4Å; V133-K135 VanDerWaalsContact C-N 3.28Å; V133-K135 PolarHBondContact O-N 2.9Å; K135-I137 VanDerWaalsContact C-N 3.31Å |
| 136 | A | 88.7 | Confident | 89.4 | Confident | 59 Ų | 59 | 95.5 Ų | 95.5 | 49% | 0.488 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -77.1 | -15.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E132 V133 T138 | E132-A136 VanDerWaalsContact O-CB 3.31Å; E132-A136 WeakPolarHBondContact O-CB 3.47Å; E132-A136 PolarHBondContact O-N 2.81Å; V133-A136 PolarHBondContact O-N 3.43Å; A136-T138 PolarHBondContact O-N 3.48Å |
| 137 | I | 85 | Confident | 89.1 | Confident | 74 Ų | 74 | 97.8 Ų | 97.8 | 38% | 0.379 | 50% | 0.504 | S | S | . | . | trans | -72.2 | 96.2 | 173.2 | -64.6 | 164.6 | 0 | 0 | 0 | 108.6 | V133 K135 E142 | V133-I137 HydrophobicContact CG1-CD1 4.44Å; V133-I137 WeakPolarHBondContact O-CG1 3.45Å; V133-I137 PolarHBondContact O-N 2.85Å; K135-I137 VanDerWaalsContact C-N 3.31Å; I137-E142 HydrophobicContact CG2-CG 3.39Å; I137-E142 WeakPolarHBondContact CG2-OE1 3.34Å | ||
| 138 | T | 82.2 | Confident | 88.8 | Confident | 61 Ų | 61 | 98.5 Ų | 98.5 | 37% | 0.374 | 50% | 0.504 | S | S | . | . | trans | -85.4 | 154 | 170.6 | 72.8 | 0 | 0 | 0 | 0 | 110.3 | A136 E140 L141 E142 | A136-T138 PolarHBondContact O-N 3.48Å; T138-E140 VanDerWaalsContact CB-OE2 3.23Å; T138-E140 WeakPolarHBondContact CB-OE2 3.37Å; T138-E140 PolarHBondContact O-N 2.9Å; T138-E140 VanDerWaalsContact O-N 3.16Å; T138-E140 PolarHBondContact OG1-OE2 2.96Å; T138-E140 VanDerWaalsContact OG1-OE2 3.1Å; T138-L141 WeakPolarHBondContact O-CA 3.2Å; T138-L141 WeakPolarHBondContact O-CB 3.25Å; T138-L141 PolarHBondContact O-N 3.31Å; T138-L141 PolarHBondContact OG1-N 2.75Å; T138-E142 PolarHBondContact O-N 3.42Å | ||
| 139 | P | 80.9 | Confident | 88.5 | Confident | 78 Ų | 78 | 93.9 Ų | 93.9 | 51% | 0.506 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.8 | -25.7 | 177.4 | 23.6 | -33.1 | 0 | 0 | 0 | 112.6 | K143 | P139-K143 WeakPolarHBondContact O-CG 3.12Å; P139-K143 PolarHBondContact O-N 2.91Å; P139-K143 VanDerWaalsContact O-N 3.09Å |
| 140 | E | 79.1 | Confident | 88.3 | Confident | 130 Ų | 130 | 94.7 Ų | 94.7 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.6 | -41.8 | 171.6 | -58.6 | 73 | -154.3 | 0 | 0 | 111.5 | T138 E142 K143 A144 | T138-E140 VanDerWaalsContact CB-OE2 3.23Å; T138-E140 WeakPolarHBondContact CB-OE2 3.37Å; T138-E140 PolarHBondContact O-N 2.9Å; T138-E140 VanDerWaalsContact O-N 3.16Å; T138-E140 PolarHBondContact OG1-OE2 2.96Å; T138-E140 VanDerWaalsContact OG1-OE2 3.1Å; E140-E142 VanDerWaalsContact C-N 3.35Å; E140-K143 PolarHBondContact O-N 2.99Å; E140-A144 WeakPolarHBondContact O-CB 3.31Å; E140-A144 PolarHBondContact O-N 3.26Å |
| 141 | L | 84.6 | Confident | 88 | Confident | 84 Ų | 84 | 95.8 Ų | 95.8 | 44% | 0.44 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 175.4 | -172.8 | 70.7 | 0 | 0 | 0 | 111 | T138 A144 T145 | T138-L141 WeakPolarHBondContact O-CA 3.2Å; T138-L141 WeakPolarHBondContact O-CB 3.25Å; T138-L141 PolarHBondContact O-N 3.31Å; T138-L141 PolarHBondContact OG1-N 2.75Å; L141-A144 PolarHBondContact O-N 3.25Å; L141-T145 VanDerWaalsContact O-CB 3.31Å; L141-T145 WeakPolarHBondContact O-CB 3.28Å; L141-T145 PolarHBondContact O-N 3.41Å; L141-T145 PolarHBondContact O-OG1 3.23Å |
| 142 | E | 84.3 | Confident | 87.8 | Confident | 108 Ų | 108 | 96.9 Ų | 96.9 | 51% | 0.505 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 174.8 | -68 | -173.1 | 162 | 0 | 0 | 111.2 | I137 T138 E140 A144 T145 L146 | I137-E142 HydrophobicContact CG2-CG 3.39Å; I137-E142 WeakPolarHBondContact CG2-OE1 3.34Å; T138-E142 PolarHBondContact O-N 3.42Å; E140-E142 VanDerWaalsContact C-N 3.35Å; E142-A144 PolarHBondContact O-N 3.49Å; E142-T145 PolarHBondContact O-N 3.07Å; E142-L146 WeakPolarHBondContact O-CG 3.24Å; E142-L146 PolarHBondContact O-N 2.89Å |
| 143 | K | 85.5 | Confident | 87.6 | Confident | 145 Ų | 145 | 98.5 Ų | 98.5 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.6 | -44.3 | 176.5 | -74.5 | 176.8 | -177.8 | 176.7 | 0 | 112.4 | P139 E140 T145 L146 Q147 | P139-K143 WeakPolarHBondContact O-CG 3.12Å; P139-K143 PolarHBondContact O-N 2.91Å; P139-K143 VanDerWaalsContact O-N 3.09Å; E140-K143 PolarHBondContact O-N 2.99Å; K143-T145 VanDerWaalsContact C-N 3.31Å; K143-T145 PolarHBondContact O-N 3.32Å; K143-L146 PolarHBondContact O-N 2.87Å; K143-Q147 WeakPolarHBondContact O-CG 3.45Å; K143-Q147 PolarHBondContact O-N 3.29Å |
| 144 | A | 87.3 | Confident | 87.3 | Confident | 37 Ų | 37 | 100.3 Ų | 100.3 | 31% | 0.306 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E140 L141 E142 Q147 Q148 | E140-A144 WeakPolarHBondContact O-CB 3.31Å; E140-A144 PolarHBondContact O-N 3.26Å; L141-A144 PolarHBondContact O-N 3.25Å; E142-A144 PolarHBondContact O-N 3.49Å; A144-Q147 PolarHBondContact O-N 2.79Å; A144-Q148 WeakPolarHBondContact O-CG 3.33Å; A144-Q148 PolarHBondContact O-N 3.38Å |
| 145 | T | 88.6 | Confident | 87.1 | Confident | 64 Ų | 64 | 102.1 Ų | 102.1 | 39% | 0.393 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 176.1 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | L141 E142 K143 Q147 Q148 C149 | L141-T145 VanDerWaalsContact O-CB 3.31Å; L141-T145 WeakPolarHBondContact O-CB 3.28Å; L141-T145 PolarHBondContact O-N 3.41Å; L141-T145 PolarHBondContact O-OG1 3.23Å; E142-T145 PolarHBondContact O-N 3.07Å; K143-T145 VanDerWaalsContact C-N 3.31Å; K143-T145 PolarHBondContact O-N 3.32Å; T145-Q147 VanDerWaalsContact C-N 3.32Å; T145-Q147 PolarHBondContact O-N 3.36Å; T145-Q148 WeakPolarHBondContact O-CB 3.45Å; T145-Q148 PolarHBondContact O-N 2.89Å; T145-C149 PolarHBondContact O-N 2.99Å; T145-C149 PolarHBondContact O-SG 3.3Å |
| 146 | L | 90.2 | Very high | 86.7 | Confident | 111 Ų | 111 | 99.1 Ų | 99.1 | 58% | 0.581 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.1 | -41.2 | 174.7 | -71.9 | 172.3 | 0 | 0 | 0 | 111.9 | E142 K143 C149 I150 | E142-L146 WeakPolarHBondContact O-CG 3.24Å; E142-L146 PolarHBondContact O-N 2.89Å; K143-L146 PolarHBondContact O-N 2.87Å; L146-C149 WeakPolarHBondContact O-CB 3.25Å; L146-C149 PolarHBondContact O-N 2.9Å; L146-I150 WeakPolarHBondContact O-CG1 3.35Å; L146-I150 PolarHBondContact O-N 3.47Å |
| 147 | Q | 89.9 | Confident | 86.4 | Confident | 124 Ų | 124 | 100.7 Ų | 100.7 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.6 | -43.1 | 174.3 | -73.4 | 176.4 | -8.8 | 0 | 0 | 112 | K143 A144 T145 C149 I150 Q151 | K143-Q147 WeakPolarHBondContact O-CG 3.45Å; K143-Q147 PolarHBondContact O-N 3.29Å; A144-Q147 PolarHBondContact O-N 2.79Å; T145-Q147 VanDerWaalsContact C-N 3.32Å; T145-Q147 PolarHBondContact O-N 3.36Å; Q147-C149 VanDerWaalsContact C-N 3.33Å; Q147-C149 PolarHBondContact O-N 3.38Å; Q147-I150 PolarHBondContact O-N 3.45Å; Q147-Q151 WeakPolarHBondContact O-CG 3.36Å; Q147-Q151 PolarHBondContact O-N 2.95Å |
| 148 | Q | 90.5 | Very high | 86 | Confident | 107 Ų | 107 | 100 Ų | 100 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.8 | -37.7 | 174.1 | -72 | 175.8 | 21.1 | 0 | 0 | 112.2 | A144 T145 Q151 R152 | A144-Q148 WeakPolarHBondContact O-CG 3.33Å; A144-Q148 PolarHBondContact O-N 3.38Å; T145-Q148 WeakPolarHBondContact O-CB 3.45Å; T145-Q148 PolarHBondContact O-N 2.89Å; Q148-Q151 PolarHBondContact O-N 3.44Å; Q148-R152 WeakPolarHBondContact O-CB 3.3Å; Q148-R152 WeakPolarHBondContact O-CG 3.46Å; Q148-R152 PolarHBondContact O-N 2.87Å |
| 149 | C | 90.1 | Very high | 85.5 | Confident | 63 Ų | 63 | 105.5 Ų | 105.5 | 43% | 0.426 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 173.7 | -70.5 | 0 | 0 | 0 | 0 | 111.7 | T145 L146 Q147 R152 L153 | T145-C149 PolarHBondContact O-N 2.99Å; T145-C149 PolarHBondContact O-SG 3.3Å; L146-C149 WeakPolarHBondContact O-CB 3.25Å; L146-C149 PolarHBondContact O-N 2.9Å; Q147-C149 VanDerWaalsContact C-N 3.33Å; Q147-C149 PolarHBondContact O-N 3.38Å; C149-R152 PolarHBondContact O-N 2.93Å; C149-L153 WeakPolarHBondContact O-CB 3.4Å; C149-L153 VanDerWaalsContact O-CG 3.31Å; C149-L153 WeakPolarHBondContact O-CG 3.5Å; C149-L153 PolarHBondContact O-N 3.05Å |
| 150 | I | 91.1 | Very high | 84.5 | Confident | 95 Ų | 95 | 108.2 Ų | 108.2 | 49% | 0.487 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.8 | -44.5 | 175.2 | -67.3 | 165.7 | 0 | 0 | 0 | 110.4 | L146 Q147 L153 Q154 | L146-I150 WeakPolarHBondContact O-CG1 3.35Å; L146-I150 PolarHBondContact O-N 3.47Å; Q147-I150 PolarHBondContact O-N 3.45Å; I150-L153 PolarHBondContact O-N 3.49Å; I150-Q154 VanDerWaalsContact O-CG 3.32Å; I150-Q154 WeakPolarHBondContact O-CG 3.37Å; I150-Q154 PolarHBondContact O-N 2.92Å |
| 151 | Q | 89.9 | Confident | 83.8 | Confident | 105 Ų | 105 | 105.1 Ų | 105.1 | 49% | 0.491 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.1 | -45.6 | 175.8 | -72.5 | 173.3 | -2.1 | 0 | 0 | 111.8 | Q147 Q148 L153 Q154 E155 | Q147-Q151 WeakPolarHBondContact O-CG 3.36Å; Q147-Q151 PolarHBondContact O-N 2.95Å; Q148-Q151 PolarHBondContact O-N 3.44Å; Q151-L153 VanDerWaalsContact C-N 3.33Å; Q151-L153 PolarHBondContact O-N 2.9Å; Q151-Q154 WeakPolarHBondContact O-CB 3.34Å; Q151-Q154 PolarHBondContact O-N 3Å; Q151-Q154 VanDerWaalsContact O-N 3.15Å; Q151-E155 WeakPolarHBondContact O-CG 3.42Å; Q151-E155 PolarHBondContact O-N 2.89Å |
| 152 | R | 90 | Very high | 82.4 | Confident | 173 Ų | 173 | 107.4 Ų | 107.4 | 65% | 0.653 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.8 | -37.8 | 175.7 | -76.6 | -168.8 | 179.1 | -170.2 | 2.5 | 112.7 | Q148 C149 E155 L156 | Q148-R152 WeakPolarHBondContact O-CB 3.3Å; Q148-R152 WeakPolarHBondContact O-CG 3.46Å; Q148-R152 PolarHBondContact O-N 2.87Å; C149-R152 PolarHBondContact O-N 2.93Å; R152-E155 PolarHBondContact O-N 3.4Å; R152-L156 WeakPolarHBondContact O-CB 3.45Å; R152-L156 VanDerWaalsContact O-CG 3.26Å; R152-L156 WeakPolarHBondContact O-CG 3.36Å; R152-L156 PolarHBondContact O-N 3.1Å |
| 153 | L | 88.2 | Confident | 80.7 | Confident | 115 Ų | 115 | 110 Ų | 110 | 60% | 0.602 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.5 | -40.3 | 173.7 | -74.3 | 169.5 | 0 | 0 | 0 | 111.3 | C149 I150 Q151 L156 S157 | C149-L153 WeakPolarHBondContact O-CB 3.4Å; C149-L153 VanDerWaalsContact O-CG 3.31Å; C149-L153 WeakPolarHBondContact O-CG 3.5Å; C149-L153 PolarHBondContact O-N 3.05Å; I150-L153 PolarHBondContact O-N 3.49Å; Q151-L153 VanDerWaalsContact C-N 3.33Å; Q151-L153 PolarHBondContact O-N 2.9Å; L153-L156 PolarHBondContact O-N 3.25Å; L153-S157 WeakPolarHBondContact O-CB 3.4Å; L153-S157 PolarHBondContact O-N 3.45Å; L153-S157 PolarHBondContact O-OG 3.46Å |
| 154 | Q | 85.8 | Confident | 78.7 | Confident | 119 Ų | 119 | 113 Ų | 113 | 56% | 0.556 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63 | -45.7 | 174.3 | -73.7 | 172.9 | -12.2 | 0 | 0 | 111.5 | I150 Q151 L156 S157 G158 | I150-Q154 VanDerWaalsContact O-CG 3.32Å; I150-Q154 WeakPolarHBondContact O-CG 3.37Å; I150-Q154 PolarHBondContact O-N 2.92Å; Q151-Q154 WeakPolarHBondContact O-CB 3.34Å; Q151-Q154 PolarHBondContact O-N 3Å; Q151-Q154 VanDerWaalsContact O-N 3.15Å; Q154-L156 PolarHBondContact O-N 2.99Å; Q154-S157 WeakPolarHBondContact CA-OG 3.26Å; Q154-S157 PolarHBondContact O-N 3.36Å; Q154-S157 PolarHBondContact O-OG 2.94Å; Q154-G158 PolarHBondContact O-N 3.43Å |
| 155 | E | 86.2 | Confident | 78.3 | Confident | 136 Ų | 136 | 116.8 Ų | 116.8 | 64% | 0.636 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -60.6 | -44.1 | 175.1 | -72.8 | 172.8 | -175.8 | 0 | 0 | 112.2 | Q151 R152 S157 G158 R159 | Q151-E155 WeakPolarHBondContact O-CG 3.42Å; Q151-E155 PolarHBondContact O-N 2.89Å; R152-E155 PolarHBondContact O-N 3.4Å; E155-S157 VanDerWaalsContact C-N 3.34Å; E155-G158 PolarHBondContact O-N 3.38Å; E155-R159 WeakPolarHBondContact O-CB 3.43Å; E155-R159 PolarHBondContact O-N 2.8Å |
| 156 | L | 83.8 | Confident | 77.7 | Confident | 94 Ų | 94 | 119.5 Ų | 119.5 | 49% | 0.492 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -64.4 | -38.3 | 175.9 | -75 | 169.2 | 0 | 0 | 0 | 111.9 | R152 L153 Q154 R159 | R152-L156 WeakPolarHBondContact O-CB 3.45Å; R152-L156 VanDerWaalsContact O-CG 3.26Å; R152-L156 WeakPolarHBondContact O-CG 3.36Å; R152-L156 PolarHBondContact O-N 3.1Å; L153-L156 PolarHBondContact O-N 3.25Å; Q154-L156 PolarHBondContact O-N 2.99Å; L156-R159 PolarHBondContact O-N 2.99Å |
| 157 | S | 81.5 | Confident | 77 | Confident | 91 Ų | 91 | 120 Ų | 120 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.9 | -32.4 | 177.5 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | L153 Q154 E155 R159 | L153-S157 WeakPolarHBondContact O-CB 3.4Å; L153-S157 PolarHBondContact O-N 3.45Å; L153-S157 PolarHBondContact O-OG 3.46Å; Q154-S157 WeakPolarHBondContact CA-OG 3.26Å; Q154-S157 PolarHBondContact O-N 3.36Å; Q154-S157 PolarHBondContact O-OG 2.94Å; E155-S157 VanDerWaalsContact C-N 3.34Å; S157-R159 VanDerWaalsContact C-N 3.33Å |
| 158 | G | 75.5 | Confident | 76.3 | Confident | 60 Ų | 60 | 119.8 Ų | 119.8 | 62% | 0.619 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -84.5 | -7.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q154 E155 P160 | Q154-G158 PolarHBondContact O-N 3.43Å; E155-G158 PolarHBondContact O-N 3.38Å; G158-P160 VanDerWaalsContact O-CD 3.27Å; G158-P160 WeakPolarHBondContact O-CD 3.09Å |
| 159 | R | 72.4 | Confident | 75.4 | Confident | 177 Ų | 177 | 120.6 Ų | 120.6 | 67% | 0.668 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -71.1 | 116.5 | 178.7 | -162.1 | 170.3 | -179.8 | 142.5 | -1.4 | 108.8 | E155 L156 S157 G161 | E155-R159 WeakPolarHBondContact O-CB 3.43Å; E155-R159 PolarHBondContact O-N 2.8Å; L156-R159 PolarHBondContact O-N 2.99Å; S157-R159 VanDerWaalsContact C-N 3.33Å; R159-G161 PolarHBondContact O-N 3.19Å |
| 160 | P | 60.9 | Low | 74.4 | Confident | 134 Ų | 134 | 124.4 Ų | 124.4 | 87% | 0.87 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | 97.7 | 178.5 | 27 | -31 | 0 | 0 | 0 | 108.4 | G158 | G158-P160 VanDerWaalsContact O-CD 3.27Å; G158-P160 WeakPolarHBondContact O-CD 3.09Å |
| 161 | G | 63.2 | Low | 73.2 | Confident | 66 Ų | 66 | 126.5 Ų | 126.5 | 68% | 0.68 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 166 | -6.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | R159 | R159-G161 PolarHBondContact O-N 3.19Š|
| 162 | L | 55.8 | Low | 71.9 | Confident | 132 Ų | 132 | 128.2 Ų | 128.2 | 69% | 0.691 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -110.5 | 2.5 | 175.6 | -108.3 | 121.5 | 0 | 0 | 0 | 114.7 | V164 | L162-V164 PolarHBondContact O-N 3.34Š|
| 163 | N | 49.3 | Very low | 70.4 | Confident | 163 Ų | 163 | 124.4 Ų | 124.4 | 87% | 0.872 | 71% | 0.714 | S | S | * | * | trans | -96 | 77.3 | 167.4 | -68.5 | -23.6 | 0 | 0 | 0 | 109 | ||||
| 164 | V | 42.7 | Very low | 68.8 | Low | 206 Ų | 206 | 125.3 Ų | 125.3 | 100% | 1.248 | 72% | 0.724 | S | S | * | * | trans | -128.3 | 0 | 148.1 | -164.2 | 0 | 0 | 0 | 0 | 106.2 | L162 | L162-V164 PolarHBondContact O-N 3.34Š|
Retrieved 164 of 164 residues in 489.4 ms
(Link to these results)