| 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 | 43.6 | Very low | 56.5 | Low | 248 Ų | 248 | 142.6 Ų | 142.6 | 100% | 1.222 | 71% | 0.708 | S | S | * | * | 0 | 77.1 | 0 | -67.2 | 174.3 | 175.2 | 0 | 0 | 108.3 | |||||
| 2 | G | 48 | Very low | 58.6 | Low | 50 Ų | 50 | 139.2 Ų | 139.2 | 52% | 0.515 | 70% | 0.704 | S | S | . | * | trans | -162.7 | 4.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 3 | F | 51.6 | Low | 60.9 | Low | 166 Ų | 166 | 136.4 Ų | 136.4 | 73% | 0.728 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -100.5 | -31.1 | 177.5 | -128 | -94.4 | 0 | 0 | 0 | 112 | Y7 | F3-Y7 AromaticContact CD1-CE2 3.91Å; F3-Y7 HydrophobicContact CD1-CE2 3.91Å; F3-Y7 HydrophobicContact CE1-CE2 4.22Å; F3-Y7 VanDerWaalsContact O-CD2 3.23Å; F3-Y7 WeakPolarHBondContact O-CD2 3Å |
| 4 | L | 49.3 | Very low | 62.8 | Low | 150 Ų | 150 | 132.1 Ų | 132.1 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -79 | -19.1 | -177.7 | -91.1 | 157.3 | 0 | 0 | 0 | 114.4 | N6 Y7 | L4-N6 VanDerWaalsContact C-N 3.33Å; L4-Y7 PolarHBondContact O-N 3.43Å |
| 5 | E | 50.8 | Low | 64.4 | Low | 167 Ų | 167 | 128.9 Ų | 128.9 | 78% | 0.78 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -78.4 | -19.2 | -177.8 | -143.1 | 162.7 | 172.1 | 0 | 0 | 112.4 | ||
| 6 | N | 53 | Low | 66 | Low | 135 Ų | 135 | 127.6 Ų | 127.6 | 72% | 0.722 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -93.4 | -2.5 | 174.2 | -77.9 | -53.4 | 0 | 0 | 0 | 114.1 | L4 | L4-N6 VanDerWaalsContact C-N 3.33Š|
| 7 | Y | 56.3 | Low | 67.5 | Low | 133 Ų | 133 | 125.8 Ų | 125.8 | 52% | 0.522 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -87.7 | -8.8 | 177.9 | -92.7 | -100.6 | 0 | 0 | 0 | 113.4 | F3 L4 E9 I10 | F3-Y7 AromaticContact CD1-CE2 3.91Å; F3-Y7 HydrophobicContact CD1-CE2 3.91Å; F3-Y7 HydrophobicContact CE1-CE2 4.22Å; F3-Y7 VanDerWaalsContact O-CD2 3.23Å; F3-Y7 WeakPolarHBondContact O-CD2 3Å; L4-Y7 PolarHBondContact O-N 3.43Å; Y7-E9 VanDerWaalsContact C-N 3.32Å; Y7-E9 PolarHBondContact O-N 3.43Å; Y7-I10 HydrophobicContact CD1-CD1 3.57Å; Y7-I10 HydrophobicContact CE1-CD1 3.88Å; Y7-I10 HydrophobicContact CG-CD1 4.03Å |
| 8 | Q | 57.2 | Low | 68.8 | Low | 176 Ų | 176 | 123.3 Ų | 123.3 | 82% | 0.822 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -18.9 | -172.1 | -161.5 | 75.9 | 28.1 | 0 | 0 | 113.4 | ||
| 9 | E | 63.1 | Low | 69.9 | Low | 192 Ų | 192 | 121.8 Ų | 121.8 | 90% | 0.897 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | 16.3 | 179.1 | -78 | -170.8 | 161.8 | 0 | 0 | 114.2 | Y7 D11 | Y7-E9 VanDerWaalsContact C-N 3.32Å; Y7-E9 PolarHBondContact O-N 3.43Å; E9-D11 PolarHBondContact O-N 3.02Å |
| 10 | I | 67.7 | Low | 71.2 | Confident | 66 Ų | 66 | 120.9 Ų | 120.9 | 34% | 0.338 | 63% | 0.632 | S | S | . | * | trans | -77.8 | 122.3 | 178.3 | -73.3 | 171.5 | 0 | 0 | 0 | 110.3 | Y7 T14 L15 | Y7-I10 HydrophobicContact CD1-CD1 3.57Å; Y7-I10 HydrophobicContact CE1-CD1 3.88Å; Y7-I10 HydrophobicContact CG-CD1 4.03Å; I10-T14 HydrophobicContact CG2-CG2 4.36Å; I10-L15 HydrophobicContact CG2-CB 4.09Å; I10-L15 HydrophobicContact CG2-CD1 4.42Å | ||
| 11 | D | 80.8 | Confident | 72.3 | Confident | 86 Ų | 86 | 119.4 Ų | 119.4 | 46% | 0.46 | 62% | 0.624 | S | S | . | * | trans | -53.6 | 129.5 | 175.1 | -176.5 | -9.8 | 0 | 0 | 0 | 110.7 | E9 V13 T14 L15 | E9-D11 PolarHBondContact O-N 3.02Å; D11-V13 PolarHBondContact O-N 3.37Å; D11-V13 PolarHBondContact OD1-N 3.35Å; D11-T14 WeakPolarHBondContact O-CA 3.09Å; D11-T14 WeakPolarHBondContact O-CB 3.13Å; D11-T14 PolarHBondContact O-N 2.66Å; D11-L15 PolarHBondContact O-N 2.93Å | ||
| 12 | P | 81.7 | Confident | 74.8 | Confident | 101 Ų | 101 | 109.8 Ų | 109.8 | 66% | 0.656 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -51.8 | -29.3 | 176.2 | 21 | -35.6 | 0 | 0 | 0 | 113.7 | N16 | P12-N16 WeakPolarHBondContact O-CB 3.19Å; P12-N16 PolarHBondContact O-N 3.21Å |
| 13 | V | 88.9 | Confident | 77 | Confident | 103 Ų | 103 | 109.9 Ų | 109.9 | 62% | 0.624 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.4 | -45.1 | 175 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | D11 L15 N16 L17 | D11-V13 PolarHBondContact O-N 3.37Å; D11-V13 PolarHBondContact OD1-N 3.35Å; V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 PolarHBondContact O-N 2.9Å; V13-N16 PolarHBondContact O-N 3.46Å; V13-L17 WeakPolarHBondContact O-CB 3.41Å; V13-L17 PolarHBondContact O-N 3.4Å |
| 14 | T | 87.1 | Confident | 79.2 | Confident | 76 Ų | 76 | 108.6 Ų | 108.6 | 47% | 0.466 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66 | -38.6 | 178.6 | -61.8 | 0 | 0 | 0 | 0 | 110.8 | I10 D11 L17 C18 | I10-T14 HydrophobicContact CG2-CG2 4.36Å; D11-T14 WeakPolarHBondContact O-CA 3.09Å; D11-T14 WeakPolarHBondContact O-CB 3.13Å; D11-T14 PolarHBondContact O-N 2.66Å; T14-L17 PolarHBondContact O-N 3.37Å; T14-C18 VanDerWaalsContact O-CB 3.26Å; T14-C18 WeakPolarHBondContact O-CB 3.42Å; T14-C18 PolarHBondContact O-N 3.29Å |
| 15 | L | 87.4 | Confident | 81.4 | Confident | 84 Ų | 84 | 104.9 Ų | 104.9 | 44% | 0.44 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.6 | -43.9 | 176.5 | -167.1 | 133.5 | 0 | 0 | 0 | 111.5 | I10 D11 V13 C18 I19 | I10-L15 HydrophobicContact CG2-CB 4.09Å; I10-L15 HydrophobicContact CG2-CD1 4.42Å; D11-L15 PolarHBondContact O-N 2.93Å; V13-L15 VanDerWaalsContact C-N 3.32Å; V13-L15 PolarHBondContact O-N 2.9Å; L15-C18 PolarHBondContact O-N 2.95Å; L15-I19 HydrophobicContact CD2-CD1 3.46Å; L15-I19 VanDerWaalsContact CD2-CD1 3.46Å; L15-I19 HydrophobicContact CD2-CG1 4.43Å; L15-I19 HydrophobicContact CG-CD1 4.21Å; L15-I19 WeakPolarHBondContact O-CB 3.27Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.24Å; L15-I19 PolarHBondContact O-N 3.16Å |
| 16 | N | 89.4 | Confident | 83.6 | Confident | 108 Ų | 108 | 101.7 Ų | 101.7 | 58% | 0.578 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64.5 | -41.4 | 175.8 | -169.6 | 36.4 | 0 | 0 | 0 | 112.1 | P12 V13 I19 L20 | P12-N16 WeakPolarHBondContact O-CB 3.19Å; P12-N16 PolarHBondContact O-N 3.21Å; V13-N16 PolarHBondContact O-N 3.46Å; N16-I19 PolarHBondContact O-N 2.92Å; N16-L20 VanDerWaalsContact O-CB 3.23Å; N16-L20 WeakPolarHBondContact O-CB 3.31Å; N16-L20 PolarHBondContact O-N 2.83Å |
| 17 | L | 91.3 | Very high | 85.5 | Confident | 98 Ų | 98 | 100.8 Ų | 100.8 | 51% | 0.513 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 174 | 179.1 | 63 | 0 | 0 | 0 | 111.5 | V13 T14 L20 I21 | V13-L17 WeakPolarHBondContact O-CB 3.41Å; V13-L17 PolarHBondContact O-N 3.4Å; T14-L17 PolarHBondContact O-N 3.37Å; L17-L20 PolarHBondContact O-N 2.93Å; L17-I21 HydrophobicContact CD1-CD1 3.85Å; L17-I21 HydrophobicContact CD1-CG1 4.22Å; L17-I21 HydrophobicContact CG-CD1 3.83Å; L17-I21 WeakPolarHBondContact O-CB 3.19Å; L17-I21 VanDerWaalsContact O-CG1 3.27Å; L17-I21 WeakPolarHBondContact O-CG1 3.44Å; L17-I21 PolarHBondContact O-N 3.28Å |
| 18 | C | 90.6 | Very high | 87.4 | Confident | 80 Ų | 80 | 98.4 Ų | 98.4 | 54% | 0.541 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 178.1 | -171.4 | 0 | 0 | 0 | 0 | 111.2 | T14 L15 I21 A22 | T14-C18 VanDerWaalsContact O-CB 3.26Å; T14-C18 WeakPolarHBondContact O-CB 3.42Å; T14-C18 PolarHBondContact O-N 3.29Å; L15-C18 PolarHBondContact O-N 2.95Å; C18-I21 PolarHBondContact O-N 2.84Å; C18-A22 WeakPolarHBondContact O-CB 3.5Å; C18-A22 PolarHBondContact O-N 3.2Å |
| 19 | I | 91.1 | Very high | 89.2 | Confident | 95 Ų | 95 | 94.5 Ų | 94.5 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 175.7 | -68.1 | 171.7 | 0 | 0 | 0 | 111.1 | L15 N16 A22 S23 | L15-I19 HydrophobicContact CD2-CD1 3.46Å; L15-I19 VanDerWaalsContact CD2-CD1 3.46Å; L15-I19 HydrophobicContact CD2-CG1 4.43Å; L15-I19 HydrophobicContact CG-CD1 4.21Å; L15-I19 WeakPolarHBondContact O-CB 3.27Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.24Å; L15-I19 PolarHBondContact O-N 3.16Å; N16-I19 PolarHBondContact O-N 2.92Å; I19-A22 PolarHBondContact O-N 3.45Å; I19-S23 WeakPolarHBondContact O-CB 3.25Å; I19-S23 PolarHBondContact O-N 2.81Å; I19-S23 PolarHBondContact O-OG 3.26Å |
| 20 | L | 94.5 | Very high | 90.8 | Very high | 103 Ų | 103 | 89.2 Ų | 89.2 | 54% | 0.539 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 177.2 | -172.7 | 158.4 | 0 | 0 | 0 | 110.8 | N16 L17 S23 Y24 | N16-L20 VanDerWaalsContact O-CB 3.23Å; N16-L20 WeakPolarHBondContact O-CB 3.31Å; N16-L20 PolarHBondContact O-N 2.83Å; L17-L20 PolarHBondContact O-N 2.93Å; L20-S23 PolarHBondContact O-OG 2.76Å; L20-Y24 VanDerWaalsContact O-CB 3.29Å; L20-Y24 WeakPolarHBondContact O-CB 3.29Å; L20-Y24 PolarHBondContact O-N 3.09Å |
| 21 | I | 96.1 | Very high | 92 | Very high | 91 Ų | 91 | 92.5 Ų | 92.5 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.8 | -48 | 177.7 | -66.3 | 166.3 | 0 | 0 | 0 | 110.5 | L17 C18 S23 Y24 V25 | L17-I21 HydrophobicContact CD1-CD1 3.85Å; L17-I21 HydrophobicContact CD1-CG1 4.22Å; L17-I21 HydrophobicContact CG-CD1 3.83Å; L17-I21 WeakPolarHBondContact O-CB 3.19Å; L17-I21 VanDerWaalsContact O-CG1 3.27Å; L17-I21 WeakPolarHBondContact O-CG1 3.44Å; L17-I21 PolarHBondContact O-N 3.28Å; C18-I21 PolarHBondContact O-N 2.84Å; I21-S23 PolarHBondContact O-N 3.47Å; I21-Y24 PolarHBondContact O-N 3.45Å; I21-V25 WeakPolarHBondContact O-CG2 3.37Å; I21-V25 PolarHBondContact O-N 3.44Å |
| 22 | A | 95.1 | Very high | 92.6 | Very high | 45 Ų | 45 | 93.3 Ų | 93.3 | 37% | 0.372 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -46.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | C18 I19 Y24 V25 I26 | C18-A22 WeakPolarHBondContact O-CB 3.5Å; C18-A22 PolarHBondContact O-N 3.2Å; I19-A22 PolarHBondContact O-N 3.45Å; A22-Y24 PolarHBondContact O-N 2.74Å; A22-V25 PolarHBondContact O-N 2.75Å; A22-I26 WeakPolarHBondContact O-CD1 3.22Å; A22-I26 WeakPolarHBondContact O-CG1 3.48Å; A22-I26 PolarHBondContact O-N 3.31Å |
| 23 | S | 94.6 | Very high | 93.1 | Very high | 53 Ų | 53 | 92.8 Ų | 92.8 | 37% | 0.371 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 176.5 | 60.9 | 0 | 0 | 0 | 0 | 111.8 | I19 L20 I21 V25 I26 L27 | I19-S23 WeakPolarHBondContact O-CB 3.25Å; I19-S23 PolarHBondContact O-N 2.81Å; I19-S23 PolarHBondContact O-OG 3.26Å; L20-S23 PolarHBondContact O-OG 2.76Å; I21-S23 PolarHBondContact O-N 3.47Å; S23-V25 PolarHBondContact O-N 2.83Å; S23-I26 PolarHBondContact O-N 3.47Å; S23-L27 WeakPolarHBondContact O-CB 3.07Å; S23-L27 VanDerWaalsContact O-CG 3.27Å; S23-L27 WeakPolarHBondContact O-CG 3.21Å; S23-L27 PolarHBondContact O-N 3.27Å |
| 24 | Y | 96.6 | Very high | 93.1 | Very high | 139 Ų | 139 | 89.9 Ų | 89.9 | 55% | 0.545 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.4 | -46.4 | 173.7 | 178.1 | -106.8 | 0 | 0 | 0 | 112.3 | L20 I21 A22 I26 L27 L28 | L20-Y24 VanDerWaalsContact O-CB 3.29Å; L20-Y24 WeakPolarHBondContact O-CB 3.29Å; L20-Y24 PolarHBondContact O-N 3.09Å; I21-Y24 PolarHBondContact O-N 3.45Å; A22-Y24 PolarHBondContact O-N 2.74Å; Y24-I26 VanDerWaalsContact C-N 3.34Å; Y24-I26 PolarHBondContact O-N 3.13Å; Y24-L27 PolarHBondContact O-N 3.2Å; Y24-L28 HydrophobicContact CD1-CD1 4.06Å; Y24-L28 HydrophobicContact CD1-CG 4.5Å; Y24-L28 HydrophobicContact CE1-CD1 3.45Å; Y24-L28 VanDerWaalsContact CE1-CD1 3.45Å; Y24-L28 HydrophobicContact CE1-CG 4.13Å; Y24-L28 HydrophobicContact CE2-CD1 4.45Å; Y24-L28 HydrophobicContact CE2-CD2 4.46Å; Y24-L28 HydrophobicContact CE2-CG 4.33Å; Y24-L28 WeakPolarHBondContact O-CG 3.13Å; Y24-L28 PolarHBondContact O-N 2.91Å |
| 25 | V | 97.2 | Very high | 93.1 | Very high | 72 Ų | 72 | 88.8 Ų | 88.8 | 44% | 0.436 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 176.5 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | I21 A22 S23 L28 L29 | I21-V25 WeakPolarHBondContact O-CG2 3.37Å; I21-V25 PolarHBondContact O-N 3.44Å; A22-V25 PolarHBondContact O-N 2.75Å; S23-V25 PolarHBondContact O-N 2.83Å; V25-L28 PolarHBondContact O-N 2.65Å; V25-L29 HydrophobicContact CG1-CD1 4.32Å; V25-L29 WeakPolarHBondContact O-CG 3.48Å; V25-L29 PolarHBondContact O-N 2.9Å |
| 26 | I | 95.5 | Very high | 93.1 | Very high | 99 Ų | 99 | 89.3 Ų | 89.3 | 51% | 0.508 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.4 | -44.5 | 176.2 | -67.7 | 163.7 | 0 | 0 | 0 | 110.5 | A22 S23 Y24 L28 L29 V30 | A22-I26 WeakPolarHBondContact O-CD1 3.22Å; A22-I26 WeakPolarHBondContact O-CG1 3.48Å; A22-I26 PolarHBondContact O-N 3.31Å; S23-I26 PolarHBondContact O-N 3.47Å; Y24-I26 VanDerWaalsContact C-N 3.34Å; Y24-I26 PolarHBondContact O-N 3.13Å; I26-L28 VanDerWaalsContact C-N 3.31Å; I26-L28 PolarHBondContact O-N 3.43Å; I26-L29 PolarHBondContact O-N 2.82Å; I26-V30 HydrophobicContact CG2-CG2 4.32Å; I26-V30 WeakPolarHBondContact O-CG2 3.22Å; I26-V30 PolarHBondContact O-N 2.94Å |
| 27 | L | 94.4 | Very high | 92.6 | Very high | 117 Ų | 117 | 89.7 Ų | 89.7 | 61% | 0.613 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.9 | -41 | 176.2 | -71.3 | 176.7 | 0 | 0 | 0 | 111.5 | S23 Y24 V30 F31 | S23-L27 WeakPolarHBondContact O-CB 3.07Å; S23-L27 VanDerWaalsContact O-CG 3.27Å; S23-L27 WeakPolarHBondContact O-CG 3.21Å; S23-L27 PolarHBondContact O-N 3.27Å; Y24-L27 PolarHBondContact O-N 3.2Å; L27-V30 PolarHBondContact O-N 3.47Å; L27-F31 WeakPolarHBondContact O-CB 3.44Å; L27-F31 PolarHBondContact O-N 2.85Å |
| 28 | L | 95.1 | Very high | 91.8 | Very high | 83 Ų | 83 | 93.6 Ų | 93.6 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 174.2 | -73.3 | -175.5 | 0 | 0 | 0 | 112.4 | Y24 V25 I26 F31 L32 | Y24-L28 HydrophobicContact CD1-CD1 4.06Å; Y24-L28 HydrophobicContact CD1-CG 4.5Å; Y24-L28 HydrophobicContact CE1-CD1 3.45Å; Y24-L28 VanDerWaalsContact CE1-CD1 3.45Å; Y24-L28 HydrophobicContact CE1-CG 4.13Å; Y24-L28 HydrophobicContact CE2-CD1 4.45Å; Y24-L28 HydrophobicContact CE2-CD2 4.46Å; Y24-L28 HydrophobicContact CE2-CG 4.33Å; Y24-L28 WeakPolarHBondContact O-CG 3.13Å; Y24-L28 PolarHBondContact O-N 2.91Å; V25-L28 PolarHBondContact O-N 2.65Å; I26-L28 VanDerWaalsContact C-N 3.31Å; I26-L28 PolarHBondContact O-N 3.43Å; L28-F31 PolarHBondContact O-N 3.28Å; L28-L32 VanDerWaalsContact O-CB 3.25Å; L28-L32 WeakPolarHBondContact O-CB 3.34Å; L28-L32 PolarHBondContact O-N 2.83Å |
| 29 | L | 95.6 | Very high | 90.8 | Very high | 94 Ų | 94 | 94.3 Ų | 94.3 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 176.1 | -78.7 | 171.6 | 0 | 0 | 0 | 111.7 | V25 I26 F31 L32 I33 | V25-L29 HydrophobicContact CG1-CD1 4.32Å; V25-L29 WeakPolarHBondContact O-CG 3.48Å; V25-L29 PolarHBondContact O-N 2.9Å; I26-L29 PolarHBondContact O-N 2.82Å; L29-F31 VanDerWaalsContact C-N 3.31Å; L29-F31 PolarHBondContact O-N 3.49Å; L29-L32 PolarHBondContact O-N 3.31Å; L29-I33 WeakPolarHBondContact O-CB 3.36Å; L29-I33 WeakPolarHBondContact O-CG1 3.35Å; L29-I33 PolarHBondContact O-N 2.83Å |
| 30 | V | 95.6 | Very high | 89.4 | Confident | 81 Ų | 81 | 94 Ų | 94 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 176.9 | 173 | 0 | 0 | 0 | 0 | 110.7 | I26 L27 I33 S34 | I26-V30 HydrophobicContact CG2-CG2 4.32Å; I26-V30 WeakPolarHBondContact O-CG2 3.22Å; I26-V30 PolarHBondContact O-N 2.94Å; L27-V30 PolarHBondContact O-N 3.47Å; V30-I33 PolarHBondContact O-N 2.98Å; V30-S34 WeakPolarHBondContact O-CB 3.27Å; V30-S34 PolarHBondContact O-N 3.12Å; V30-S34 PolarHBondContact O-OG 3.14Å |
| 31 | F | 92.9 | Very high | 87.6 | Confident | 135 Ų | 135 | 99 Ų | 99 | 59% | 0.592 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.3 | -45.5 | 174.5 | 178.5 | -104.2 | 0 | 0 | 0 | 111.4 | L27 L28 L29 I33 S34 C35 | L27-F31 WeakPolarHBondContact O-CB 3.44Å; L27-F31 PolarHBondContact O-N 2.85Å; L28-F31 PolarHBondContact O-N 3.28Å; L29-F31 VanDerWaalsContact C-N 3.31Å; L29-F31 PolarHBondContact O-N 3.49Å; F31-I33 PolarHBondContact O-N 2.99Å; F31-S34 CarbonylContact O-C 3.52Å; F31-S34 WeakPolarHBondContact O-CA 3.29Å; F31-S34 WeakPolarHBondContact O-CB 3.43Å; F31-S34 PolarHBondContact O-N 3.47Å; F31-S34 VanDerWaalsContact O-N 3.13Å; F31-C35 WeakPolarHBondContact CE1-SG 3.2Å; F31-C35 WeakPolarHBondContact CZ-SG 3.23Å; F31-C35 PolarHBondContact O-N 2.87Å; F31-C35 PolarHBondContact O-SG 2.94Å |
| 32 | L | 93.5 | Very high | 85.7 | Confident | 103 Ų | 103 | 98.1 Ų | 98.1 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 176.7 | -176.9 | 68.4 | 0 | 0 | 0 | 111.5 | L28 L29 S34 C35 I36 | L28-L32 VanDerWaalsContact O-CB 3.25Å; L28-L32 WeakPolarHBondContact O-CB 3.34Å; L28-L32 PolarHBondContact O-N 2.83Å; L29-L32 PolarHBondContact O-N 3.31Å; L32-S34 VanDerWaalsContact C-N 3.29Å; L32-S34 PolarHBondContact O-N 2.7Å; L32-C35 WeakPolarHBondContact O-CB 3.21Å; L32-C35 PolarHBondContact O-N 3.03Å; L32-I36 WeakPolarHBondContact O-CG1 3.27Å; L32-I36 PolarHBondContact O-N 3.15Å |
| 33 | I | 92.4 | Very high | 83.7 | Confident | 90 Ų | 90 | 102.5 Ų | 102.5 | 46% | 0.462 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 174.5 | -68 | 165.6 | 0 | 0 | 0 | 110.1 | L29 V30 F31 I36 M37 | L29-I33 WeakPolarHBondContact O-CB 3.36Å; L29-I33 WeakPolarHBondContact O-CG1 3.35Å; L29-I33 PolarHBondContact O-N 2.83Å; V30-I33 PolarHBondContact O-N 2.98Å; F31-I33 PolarHBondContact O-N 2.99Å; I33-I36 WeakPolarHBondContact O-CG1 3.26Å; I33-I36 PolarHBondContact O-N 3.45Å; I33-M37 HydrophobicContact CG2-CG 4.22Å; I33-M37 VanDerWaalsContact O-CB 3.29Å; I33-M37 WeakPolarHBondContact O-CB 3.5Å; I33-M37 WeakPolarHBondContact O-CG 3.47Å; I33-M37 PolarHBondContact O-N 3.27Å |
| 34 | S | 89.9 | Confident | 81.5 | Confident | 41 Ų | 41 | 104.9 Ų | 104.9 | 29% | 0.287 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 174.9 | -57.4 | 0 | 0 | 0 | 0 | 110.5 | V30 F31 L32 I36 M37 Y38 | V30-S34 WeakPolarHBondContact O-CB 3.27Å; V30-S34 PolarHBondContact O-N 3.12Å; V30-S34 PolarHBondContact O-OG 3.14Å; F31-S34 CarbonylContact O-C 3.52Å; F31-S34 WeakPolarHBondContact O-CA 3.29Å; F31-S34 WeakPolarHBondContact O-CB 3.43Å; F31-S34 PolarHBondContact O-N 3.47Å; F31-S34 VanDerWaalsContact O-N 3.13Å; L32-S34 VanDerWaalsContact C-N 3.29Å; L32-S34 PolarHBondContact O-N 2.7Å; S34-I36 PolarHBondContact O-N 2.81Å; S34-M37 PolarHBondContact O-N 3.48Å; S34-Y38 VanDerWaalsContact O-CB 3.27Å; S34-Y38 WeakPolarHBondContact O-CB 3.48Å; S34-Y38 WeakPolarHBondContact O-CD2 3.46Å; S34-Y38 PolarHBondContact O-N 3.41Å |
| 35 | C | 86.8 | Confident | 79.5 | Confident | 53 Ų | 53 | 104.2 Ų | 104.2 | 36% | 0.358 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -57.1 | -47.1 | 177.5 | -71.5 | 0 | 0 | 0 | 0 | 112 | F31 L32 D39 | F31-C35 WeakPolarHBondContact CE1-SG 3.2Å; F31-C35 WeakPolarHBondContact CZ-SG 3.23Å; F31-C35 PolarHBondContact O-N 2.87Å; F31-C35 PolarHBondContact O-SG 2.94Å; L32-C35 WeakPolarHBondContact O-CB 3.21Å; L32-C35 PolarHBondContact O-N 3.03Å; C35-D39 WeakPolarHBondContact O-CB 3.43Å; C35-D39 PolarHBondContact O-N 2.76Å |
| 36 | I | 87.8 | Confident | 77.5 | Confident | 95 Ų | 95 | 106.6 Ų | 106.6 | 49% | 0.487 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.5 | -40.6 | 177.4 | 63.6 | 178.1 | 0 | 0 | 0 | 111.4 | L32 I33 S34 C40 | L32-I36 WeakPolarHBondContact O-CG1 3.27Å; L32-I36 PolarHBondContact O-N 3.15Å; I33-I36 WeakPolarHBondContact O-CG1 3.26Å; I33-I36 PolarHBondContact O-N 3.45Å; S34-I36 PolarHBondContact O-N 2.81Å; I36-C40 WeakPolarHBondContact O-CB 3.49Å; I36-C40 PolarHBondContact O-N 2.9Å; I36-C40 PolarHBondContact O-SG 3.01Å |
| 37 | M | 79.4 | Confident | 75.5 | Confident | 117 Ų | 117 | 110 Ų | 110 | 58% | 0.576 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.5 | -38.4 | -179.5 | -72.8 | -130 | 69.9 | 0 | 0 | 112.1 | I33 S34 R41 | I33-M37 HydrophobicContact CG2-CG 4.22Å; I33-M37 VanDerWaalsContact O-CB 3.29Å; I33-M37 WeakPolarHBondContact O-CB 3.5Å; I33-M37 WeakPolarHBondContact O-CG 3.47Å; I33-M37 PolarHBondContact O-N 3.27Å; S34-M37 PolarHBondContact O-N 3.48Å; M37-R41 WeakPolarHBondContact O-CB 3.46Å; M37-R41 VanDerWaalsContact O-CG 3.31Å; M37-R41 WeakPolarHBondContact O-CG 3.16Å; M37-R41 PolarHBondContact O-N 2.95Å |
| 38 | Y | 72.6 | Confident | 73.5 | Confident | 179 Ų | 179 | 113.1 Ų | 113.1 | 70% | 0.702 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -75.9 | -40.7 | 177 | -79 | -72.4 | 0 | 0 | 0 | 112.3 | S34 C40 R41 G42 | S34-Y38 VanDerWaalsContact O-CB 3.27Å; S34-Y38 WeakPolarHBondContact O-CB 3.48Å; S34-Y38 WeakPolarHBondContact O-CD2 3.46Å; S34-Y38 PolarHBondContact O-N 3.41Å; Y38-C40 VanDerWaalsContact C-N 3.35Å; Y38-R41 PolarHBondContact O-N 3.27Å; Y38-G42 PolarHBondContact O-N 2.91Å |
| 39 | D | 71.2 | Confident | 71.4 | Confident | 95 Ų | 95 | 119.7 Ų | 119.7 | 51% | 0.508 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.5 | -36.4 | 174.4 | -170.7 | 30.3 | 0 | 0 | 0 | 110.8 | C35 K43 | C35-D39 WeakPolarHBondContact O-CB 3.43Å; C35-D39 PolarHBondContact O-N 2.76Å; D39-K43 WeakPolarHBondContact O-CB 3.26Å; D39-K43 IonicContact OD1-NZ 3.43Å; D39-K43 PolarHBondContact OD1-NZ 3.49Å; D39-K43 IonicContact OD2-NZ 3.61Å |
| 40 | C | 60.4 | Low | 69.5 | Low | 90 Ų | 90 | 119 Ų | 119 | 61% | 0.608 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -74.9 | -28.8 | 172.7 | -65.5 | 0 | 0 | 0 | 0 | 113.7 | I36 Y38 | I36-C40 WeakPolarHBondContact O-CB 3.49Å; I36-C40 PolarHBondContact O-N 2.9Å; I36-C40 PolarHBondContact O-SG 3.01Å; Y38-C40 VanDerWaalsContact C-N 3.35Å |
| 41 | R | 57.9 | Low | 67.6 | Low | 208 Ų | 208 | 120.5 Ų | 120.5 | 79% | 0.785 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -74.5 | -31.9 | 174.6 | -92.2 | -95 | -177.4 | 158.7 | -0.7 | 113.3 | M37 Y38 | M37-R41 WeakPolarHBondContact O-CB 3.46Å; M37-R41 VanDerWaalsContact O-CG 3.31Å; M37-R41 WeakPolarHBondContact O-CG 3.16Å; M37-R41 PolarHBondContact O-N 2.95Å; Y38-R41 PolarHBondContact O-N 3.27Å |
| 42 | G | 56.4 | Low | 65.9 | Low | 71 Ų | 71 | 120.3 Ų | 120.3 | 73% | 0.732 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -84.4 | -6.1 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y38 | Y38-G42 PolarHBondContact O-N 2.91Š|
| 43 | K | 51.6 | Low | 64 | Low | 137 Ų | 137 | 121 Ų | 121 | 60% | 0.596 | 64% | 0.644 | S | S | * | * | trans | -120.6 | 17.9 | -165.5 | -150.5 | 173.1 | -164.5 | 160.4 | 0 | 114 | D39 P45 | D39-K43 WeakPolarHBondContact O-CB 3.26Å; D39-K43 IonicContact OD1-NZ 3.43Å; D39-K43 PolarHBondContact OD1-NZ 3.49Å; D39-K43 IonicContact OD2-NZ 3.61Å; K43-P45 WeakPolarHBondContact O-CD 3.44Å | ||
| 44 | D | 50 | Low | 62.2 | Low | 104 Ų | 104 | 123.2 Ų | 123.2 | 56% | 0.556 | 65% | 0.653 | S | S | * | * | trans | -96.2 | 83.9 | 156.9 | -90.9 | -23.4 | 0 | 0 | 0 | 109.2 | T46 K47 | D44-T46 PolarHBondContact O-N 2.8Å; D44-K47 PolarHBondContact O-N 2.98Å | ||
| 45 | P | 54.3 | Low | 60.6 | Low | 125 Ų | 125 | 126.5 Ų | 126.5 | 81% | 0.812 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | -1 | 176.3 | 28.1 | -35.7 | 0 | 0 | 0 | 113.8 | K43 | K43-P45 WeakPolarHBondContact O-CD 3.44Š|
| 46 | T | 54.4 | Low | 59.1 | Low | 122 Ų | 122 | 130.7 Ų | 130.7 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -1.9 | -178.6 | 46.7 | 0 | 0 | 0 | 0 | 114.6 | D44 | D44-T46 PolarHBondContact O-N 2.8Š|
| 47 | K | 53.7 | Low | 57.7 | Low | 170 Ų | 170 | 133.3 Ų | 133.3 | 74% | 0.739 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -120.1 | 86.1 | 170.7 | -69.4 | -160 | 176.9 | 178.5 | 0 | 109.1 | D44 Y49 | D44-K47 PolarHBondContact O-N 2.98Å; K47-Y49 PolarHBondContact O-N 3.31Å |
| 48 | E | 51.9 | Low | 56.6 | Low | 183 Ų | 183 | 132.3 Ų | 132.3 | 86% | 0.855 | 71% | 0.712 | S | S | * | * | trans | -18.7 | 124.2 | 149.1 | -164 | 166.9 | 158.6 | 0 | 0 | 110.2 | A50 | E48-A50 PolarHBondContact O-N 2.84Š| ||
| 49 | Y | 50.9 | Low | 55.7 | Low | 220 Ų | 220 | 129.6 Ų | 129.6 | 86% | 0.863 | 72% | 0.716 | S | S | * | * | trans | -47.8 | 91.4 | 166.7 | -109.4 | -101.5 | 0 | 0 | 0 | 107.2 | K47 P51 | K47-Y49 PolarHBondContact O-N 3.31Å; Y49-P51 VanDerWaalsContact O-CD 3.24Å; Y49-P51 WeakPolarHBondContact O-CD 3.23Å; Y49-P51 VanDerWaalsContact O-N 3.12Å | ||
| 50 | A | 55.8 | Low | 55.3 | Low | 81 Ų | 81 | 131.8 Ų | 131.8 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | trans | -60 | 117.5 | 157.1 | 0 | 0 | 0 | 0 | 0 | 102.6 | E48 D52 | E48-A50 PolarHBondContact O-N 2.84Å; A50-D52 PolarHBondContact O-N 3.29Å; A50-D52 VanDerWaalsContact O-N 3.09Å | ||
| 51 | P | 55.7 | Low | 55.3 | Low | 111 Ų | 111 | 138.5 Ų | 138.5 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | trans | -49.2 | 127.5 | 175.6 | -21 | 30.5 | 0 | 0 | 0 | 106.2 | Y49 P53 | Y49-P51 VanDerWaalsContact O-CD 3.24Å; Y49-P51 WeakPolarHBondContact O-CD 3.23Å; Y49-P51 VanDerWaalsContact O-N 3.12Å; P51-P53 VanDerWaalsContact O-N 3.17Å | ||
| 52 | D | 58.3 | Low | 55.6 | Low | 131 Ų | 131 | 135.8 Ų | 135.8 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | -40.6 | 130.7 | 167.3 | -106.5 | -52.3 | 0 | 0 | 0 | 106.7 | A50 Q54 | A50-D52 PolarHBondContact O-N 3.29Å; A50-D52 VanDerWaalsContact O-N 3.09Å; D52-Q54 VanDerWaalsContact C-N 3.26Å; D52-Q54 PolarHBondContact O-N 3.4Å | ||
| 53 | P | 53.1 | Low | 55.7 | Low | 117 Ų | 117 | 138.6 Ų | 138.6 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | trans | -57 | 100.9 | -179.1 | 21.9 | -30.4 | 0 | 0 | 0 | 106.3 | P51 P55 | P51-P53 VanDerWaalsContact O-N 3.17Å; P53-P55 VanDerWaalsContact O-N 3.13Å | ||
| 54 | Q | 54.4 | Low | 56.1 | Low | 138 Ų | 138 | 137.2 Ų | 137.2 | 65% | 0.645 | 75% | 0.745 | S | S | * | * | trans | -55.3 | 128.5 | -178 | -85.1 | -147.3 | -35 | 0 | 0 | 105.3 | D52 T56 | D52-Q54 VanDerWaalsContact C-N 3.26Å; D52-Q54 PolarHBondContact O-N 3.4Å; Q54-T56 PolarHBondContact O-N 2.83Å | ||
| 55 | P | 55.5 | Low | 56.2 | Low | 110 Ų | 110 | 140.9 Ų | 140.9 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | trans | -54.2 | 113.5 | 171.5 | 23 | -30.8 | 0 | 0 | 0 | 104.8 | P53 Q57 | P53-P55 VanDerWaalsContact O-N 3.13Å; P55-Q57 VanDerWaalsContact C-N 3.32Å; P55-Q57 PolarHBondContact O-N 2.75Å | ||
| 56 | T | 56.6 | Low | 56 | Low | 140 Ų | 140 | 143.5 Ų | 143.5 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | trans | -39.8 | 95.7 | -172.1 | 30.4 | 0 | 0 | 0 | 0 | 109.4 | Q54 S58 | Q54-T56 PolarHBondContact O-N 2.83Å; T56-S58 PolarHBondContact O-N 2.89Å | ||
| 57 | Q | 57.8 | Low | 55.6 | Low | 151 Ų | 151 | 142.7 Ų | 142.7 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -71.6 | 103.5 | 176.2 | -75.2 | -170 | -8.6 | 0 | 0 | 104.3 | P55 | P55-Q57 VanDerWaalsContact C-N 3.32Å; P55-Q57 PolarHBondContact O-N 2.75Å | ||
| 58 | S | 56.9 | Low | 55 | Low | 95 Ų | 95 | 139.7 Ų | 139.7 | 66% | 0.664 | 76% | 0.762 | S | S | * | * | trans | -50 | 132.5 | 169.4 | 47.4 | 0 | 0 | 0 | 0 | 107.8 | T56 I60 | T56-S58 PolarHBondContact O-N 2.89Å; S58-I60 PolarHBondContact O-N 3.41Å | ||
| 59 | P | 53.7 | Low | 54.4 | Low | 123 Ų | 123 | 136.6 Ų | 136.6 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | -65.1 | 103.3 | -174.4 | 22.3 | -29.9 | 0 | 0 | 0 | 108.9 | R61 | P59-R61 PolarHBondContact O-N 2.93Š| ||
| 60 | I | 62.4 | Low | 54 | Low | 141 Ų | 141 | 130.7 Ų | 130.7 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | trans | -62.2 | 107.2 | 169.7 | -69.5 | 168.4 | 0 | 0 | 0 | 105.9 | S58 L62 | S58-I60 PolarHBondContact O-N 3.41Å; I60-L62 HydrophobicContact CG2-CD1 4.37Å; I60-L62 PolarHBondContact O-N 2.9Å | ||
| 61 | R | 59.9 | Low | 53.5 | Low | 231 Ų | 231 | 132 Ų | 132 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | -69 | 101 | 173.5 | -60.3 | -148.8 | -146.3 | -140.4 | 10.6 | 108.1 | P59 V63 | P59-R61 PolarHBondContact O-N 2.93Å; R61-V63 PolarHBondContact O-N 3.02Å | ||
| 62 | L | 63.6 | Low | 52.6 | Low | 151 Ų | 151 | 135.6 Ų | 135.6 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | trans | -61.9 | 102.5 | 163.7 | -95.8 | 82.8 | 0 | 0 | 0 | 107.8 | I60 V64 | I60-L62 HydrophobicContact CG2-CD1 4.37Å; I60-L62 PolarHBondContact O-N 2.9Å; L62-V64 PolarHBondContact O-N 3.05Å; L62-V64 VanDerWaalsContact O-N 3.12Å | ||
| 63 | V | 60 | Low | 51.9 | Low | 129 Ų | 129 | 132.1 Ų | 132.1 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | trans | -74.3 | 98.9 | 164.5 | -175.4 | 0 | 0 | 0 | 0 | 106 | R61 M65 | R61-V63 PolarHBondContact O-N 3.02Å; V63-M65 PolarHBondContact O-N 3.06Å; V63-M65 VanDerWaalsContact O-N 3.14Å | ||
| 64 | V | 60.3 | Low | 51.6 | Low | 109 Ų | 109 | 137.9 Ų | 137.9 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | trans | -58.1 | 117 | 162.9 | 167.6 | 0 | 0 | 0 | 0 | 106 | L62 Q66 | L62-V64 PolarHBondContact O-N 3.05Å; L62-V64 VanDerWaalsContact O-N 3.12Å; V64-Q66 HydrophobicContact CG1-CB 4.38Å; V64-Q66 PolarHBondContact O-N 3.49Å | ||
| 65 | M | 51.5 | Low | 51 | Low | 180 Ų | 180 | 142 Ų | 142 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -64.1 | 85.1 | 163.4 | -88.4 | 175.6 | 136.6 | 0 | 0 | 106.8 | V63 S67 | V63-M65 PolarHBondContact O-N 3.06Å; V63-M65 VanDerWaalsContact O-N 3.14Å; M65-S67 PolarHBondContact O-N 3.35Å | ||
| 66 | Q | 49.8 | Very low | 50.7 | Low | 181 Ų | 181 | 143.5 Ų | 143.5 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | -75.1 | 80.9 | 170.4 | -163.1 | 175.3 | -13.7 | 0 | 0 | 106.2 | V64 S68 | V64-Q66 HydrophobicContact CG1-CB 4.38Å; V64-Q66 PolarHBondContact O-N 3.49Å; Q66-S68 PolarHBondContact O-N 3.01Å; Q66-S68 VanDerWaalsContact O-N 3.15Å | ||
| 67 | S | 45.2 | Very low | 50.2 | Low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -63.6 | 110.6 | 168.1 | 33.3 | 0 | 0 | 0 | 0 | 108.9 | M65 | M65-S67 PolarHBondContact O-N 3.35Š| ||
| 68 | S | 42.5 | Very low | 49.8 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 66.1 | 100.6 | 151.1 | -59.4 | 0 | 0 | 0 | 0 | 118.8 | Q66 | Q66-S68 PolarHBondContact O-N 3.01Å; Q66-S68 VanDerWaalsContact O-N 3.15Å |
| 69 | S | 38.1 | Very low | 49.2 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | 141.5 | 102.3 | 107.7 | 59.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 70 | A | 43.1 | Very low | 48.7 | Very low | 95 Ų | 95 | 144.2 Ų | 144.2 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | trans | -82.1 | 151 | 150.4 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 71 | P | 46 | Very low | 47.6 | Very low | 109 Ų | 109 | 143.1 Ų | 143.1 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | -150.6 | 170.9 | 65.4 | 39.3 | -19.3 | 0 | 0 | 0 | 116.9 | |||||
| 72 | M | 36.6 | Very low | 46.9 | Very low | 187 Ų | 187 | 137.4 Ų | 137.4 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | 66.2 | 136.2 | 155.9 | -97.9 | 89.7 | 154.6 | 0 | 0 | 118 | ||||
| 73 | G | 42.8 | Very low | 45.9 | Very low | 57 Ų | 57 | 135.8 Ų | 135.8 | 59% | 0.588 | 77% | 0.766 | S | S | * | * | cis | -169 | 128.3 | 5.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | W75 | G73-W75 PolarHBondContact O-N 3.46Š| ||
| 74 | R | 47.9 | Very low | 44.7 | Very low | 238 Ų | 238 | 139.7 Ų | 139.7 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | -84.8 | 89.5 | 167.1 | -168.9 | -179.4 | -172.9 | -162 | 1.8 | 106.2 | ||||
| 75 | W | 40.8 | Very low | 43.6 | Very low | 224 Ų | 224 | 143.1 Ų | 143.1 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -95.1 | 115.3 | 163.1 | -77.2 | 95.3 | 0 | 0 | 0 | 107.5 | G73 T77 | G73-W75 PolarHBondContact O-N 3.46Å; W75-T77 PolarHBondContact O-N 3.4Å | ||
| 76 | D | 48.7 | Very low | 43 | Very low | 143 Ų | 143 | 142.6 Ų | 142.6 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | -49.7 | 126.8 | 162.9 | -72.6 | -71.9 | 0 | 0 | 0 | 109.8 | ||||
| 77 | T | 47.1 | Very low | 43 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | trans | -140.4 | 77.7 | 160.8 | -38.3 | 0 | 0 | 0 | 0 | 107.7 | W75 | W75-T77 PolarHBondContact O-N 3.4Š| ||
| 78 | A | 48.5 | Very low | 42.7 | Very low | 94 Ų | 94 | 138.4 Ų | 138.4 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | trans | -50.1 | 136.2 | 142.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 79 | N | 45.4 | Very low | 42.5 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | trans | 90.8 | 81.6 | 163 | -146.2 | 28.2 | 0 | 0 | 0 | 118.1 | ||||
| 80 | M | 42.3 | Very low | 42.6 | Very low | 181 Ų | 181 | 139.2 Ų | 139.2 | 89% | 0.892 | 75% | 0.747 | S | S | * | * | trans | -148.7 | 85.7 | 139.1 | -150.1 | 176.1 | -164.9 | 0 | 0 | 107.7 | ||||
| 81 | I | 40.1 | Very low | 42.4 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 61% | 0.605 | 75% | 0.748 | S | S | * | * | 65.9 | 101 | 94.9 | -72.5 | 167.8 | 0 | 0 | 0 | 111.1 | |||||
| 82 | T | 44.5 | Very low | 42.5 | Very low | 112 Ų | 112 | 145.7 Ų | 145.7 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | 72.9 | 115.5 | 128.8 | -41.6 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 83 | T | 41.8 | Very low | 42.8 | Very low | 117 Ų | 117 | 145.8 Ų | 145.8 | 72% | 0.718 | 74% | 0.744 | S | S | * | * | 161.4 | 105.1 | 119.7 | -71 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 84 | Y | 36.6 | Very low | 43 | Very low | 211 Ų | 211 | 151.3 Ų | 151.3 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | 48.8 | 119.5 | 145.4 | -63.2 | -98.3 | 0 | 0 | 0 | 120.7 | ||||
| 85 | H | 36.3 | Very low | 43.1 | Very low | 180 Ų | 180 | 148.9 Ų | 148.9 | 83% | 0.833 | 75% | 0.751 | S | S | * | * | 162 | 100.7 | 102.7 | -162.8 | -84.9 | 0 | 0 | 0 | 111.9 | |||||
| 86 | E | 38.2 | Very low | 43.6 | Very low | 169 Ų | 169 | 147.9 Ų | 147.9 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | trans | -79.2 | 172.4 | 151.8 | -133.8 | -171.7 | 60 | 0 | 0 | 108.2 | ||||
| 87 | P | 50 | Low | 43.8 | Very low | 90 Ų | 90 | 147 Ų | 147 | 58% | 0.584 | 76% | 0.757 | S | S | * | * | cis | -148.1 | -168 | 3.8 | 34.5 | -9.6 | 0 | 0 | 0 | 116.9 | ||||
| 88 | S | 39.2 | Very low | 44.5 | Very low | 107 Ų | 107 | 146.9 Ų | 146.9 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | trans | 99.1 | 137.4 | 151.3 | 82.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 89 | H | 38.1 | Very low | 43.8 | Very low | 170 Ų | 170 | 150.7 Ų | 150.7 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | cis | -167.6 | 138.7 | 12.5 | -150.2 | -103.6 | 0 | 0 | 0 | 111.1 | ||||
| 90 | S | 39.8 | Very low | 43.6 | Very low | 73 Ų | 73 | 154.2 Ų | 154.2 | 51% | 0.51 | 79% | 0.786 | S | S | . | * | trans | 46.1 | 123.3 | 141.7 | 73.5 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 91 | D | 40.5 | Very low | 43.7 | Very low | 151 Ų | 151 | 152.9 Ų | 152.9 | 81% | 0.807 | 78% | 0.781 | S | S | * | * | 25.9 | 118.8 | 116.2 | -68.1 | -53 | 0 | 0 | 0 | 120.6 | |||||
| 92 | F | 46.9 | Very low | 43.9 | Very low | 189 Ų | 189 | 154.7 Ų | 154.7 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -147.2 | 92.3 | 145.5 | -104.3 | -88.7 | 0 | 0 | 0 | 108.1 | ||||
| 93 | R | 42.8 | Very low | 43.8 | Very low | 189 Ų | 189 | 157.1 Ų | 157.1 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | 63.2 | 95.3 | 87 | -164.3 | 177.5 | -179.2 | -142 | 0.7 | 114.1 | |||||
| 94 | E | 47.3 | Very low | 43.9 | Very low | 173 Ų | 173 | 159.5 Ų | 159.5 | 81% | 0.808 | 80% | 0.801 | S | S | * | * | trans | 21.7 | 110 | 134.4 | -56.9 | 176.2 | 134.1 | 0 | 0 | 117.4 | ||||
| 95 | K | 49.8 | Very low | 44.4 | Very low | 188 Ų | 188 | 156.3 Ų | 156.3 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | -143.4 | 100.4 | 149.2 | -66.4 | -168.6 | -179 | 177.7 | 0 | 112 | S97 | K95-S97 PolarHBondContact O-N 3.41Š| ||
| 96 | K | 52.1 | Low | 45 | Very low | 203 Ų | 203 | 154.7 Ų | 154.7 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -44.6 | 120.2 | 153.7 | -178.6 | -179.5 | 179.7 | -169.6 | 0 | 109.8 | ||||
| 97 | S | 52.6 | Low | 45.4 | Very low | 124 Ų | 124 | 153.6 Ų | 153.6 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -105.2 | 121 | 172.7 | -164.6 | 0 | 0 | 0 | 0 | 109.7 | K95 | K95-S97 PolarHBondContact O-N 3.41Š| ||
| 98 | T | 61.3 | Low | 45.1 | Very low | 115 Ų | 115 | 158.5 Ų | 158.5 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | trans | -102.9 | 140.3 | -174.9 | -148.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 99 | M | 34.9 | Very low | 45.6 | Very low | 175 Ų | 175 | 162.8 Ų | 162.8 | 86% | 0.862 | 82% | 0.819 | S | S | * | * | trans | 16.5 | 128 | 152.5 | -162.5 | 171.6 | 174.2 | 0 | 0 | 120.4 | ||||
| 100 | V | 40.7 | Very low | 46.3 | Very low | 204 Ų | 204 | 162.2 Ų | 162.2 | 100% | 1.236 | 82% | 0.822 | S | S | * | * | trans | -131.3 | 0 | 142.4 | -172.4 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 100 of 100 residues in 250.3 ms
(Link to these results)