| 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 | V | 40.8 | Very low | 72.3 | Confident | 190 Ų | 190 | 137.8 Ų | 137.8 | 100% | 1.152 | 71% | 0.705 | S | S | * | * | 0 | 98.8 | 0 | 120 | 0 | 0 | 0 | 0 | 107.9 | K3 | V1-K3 PolarHBondContact O-N 2.94Š| |||
| 2 | G | 53.3 | Low | 73.9 | Confident | 78 Ų | 78 | 137.3 Ų | 137.3 | 80% | 0.804 | 70% | 0.701 | S | S | * | * | trans | -72.2 | 118.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | M4 | G2-M4 VanDerWaalsContact C-N 3.34Å; G2-M4 PolarHBondContact O-N 3.34Å | ||
| 3 | K | 61.2 | Low | 75.3 | Confident | 177 Ų | 177 | 135.1 Ų | 135.1 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | trans | -66.7 | 98.3 | 172.1 | -80.3 | 171.2 | 175.6 | 150.9 | 0 | 107.3 | V1 F5 | V1-K3 PolarHBondContact O-N 2.94Å; K3-F5 PolarHBondContact O-N 3.15Å | ||
| 4 | M | 62.2 | Low | 76.5 | Confident | 187 Ų | 187 | 127.9 Ų | 127.9 | 92% | 0.921 | 67% | 0.666 | S | S | * | * | trans | -66.6 | 91.6 | 167.3 | -157.4 | 155.7 | 95.9 | 0 | 0 | 105.6 | G2 D6 | G2-M4 VanDerWaalsContact C-N 3.34Å; G2-M4 PolarHBondContact O-N 3.34Å; M4-D6 PolarHBondContact O-N 3.5Å; M4-D6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | F | 61.4 | Low | 77.8 | Confident | 155 Ų | 155 | 126.5 Ų | 126.5 | 68% | 0.68 | 66% | 0.658 | S | S | * | * | trans | -55.1 | 120.4 | 173.3 | -85.6 | -85 | 0 | 0 | 0 | 107.1 | K3 L7 | K3-F5 PolarHBondContact O-N 3.15Å; F5-L7 PolarHBondContact O-N 3.36Å | ||
| 6 | D | 80.5 | Confident | 78.8 | Confident | 99 Ų | 99 | 121.1 Ų | 121.1 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | trans | -50.3 | 127.4 | -177.3 | -163 | -52.1 | 0 | 0 | 0 | 108.9 | M4 R8 T9 K10 | M4-D6 PolarHBondContact O-N 3.5Å; M4-D6 VanDerWaalsContact O-N 3.1Å; D6-R8 PolarHBondContact O-N 3.37Å; D6-R8 WeakPolarHBondContact OD1-CB 3.43Å; D6-R8 PolarHBondContact OD1-N 3.2Å; D6-R8 VanDerWaalsContact OD1-N 3.14Å; D6-T9 WeakPolarHBondContact O-CA 3.45Å; D6-T9 WeakPolarHBondContact O-CB 3.38Å; D6-T9 PolarHBondContact O-N 2.98Å; D6-K10 PolarHBondContact O-N 3.4Å | ||
| 7 | L | 86.1 | Confident | 79.7 | Confident | 124 Ų | 124 | 117.4 Ų | 117.4 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -53.6 | -33.1 | -176 | -178.5 | 62.7 | 0 | 0 | 0 | 110.7 | F5 T9 K10 I11 | F5-L7 PolarHBondContact O-N 3.36Å; L7-T9 PolarHBondContact O-N 3.48Å; L7-K10 PolarHBondContact O-N 2.86Å; L7-I11 HydrophobicContact CD1-CD1 4.42Å; L7-I11 HydrophobicContact CG-CD1 3.99Å; L7-I11 WeakPolarHBondContact O-CD1 3.12Å; L7-I11 VanDerWaalsContact O-CG1 3.25Å; L7-I11 WeakPolarHBondContact O-CG1 3.36Å; L7-I11 PolarHBondContact O-N 2.93Å |
| 8 | R | 84.9 | Confident | 80.6 | Confident | 207 Ų | 207 | 114.7 Ų | 114.7 | 78% | 0.781 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -61.4 | -42.6 | 174.7 | -69 | -170.9 | 177.8 | -161.4 | 1.6 | 112.8 | D6 I11 M12 | D6-R8 PolarHBondContact O-N 3.37Å; D6-R8 WeakPolarHBondContact OD1-CB 3.43Å; D6-R8 PolarHBondContact OD1-N 3.2Å; D6-R8 VanDerWaalsContact OD1-N 3.14Å; R8-I11 PolarHBondContact O-N 3.27Å; R8-M12 WeakPolarHBondContact O-CB 3.41Å; R8-M12 PolarHBondContact O-N 3.43Å |
| 9 | T | 86.5 | Confident | 81.4 | Confident | 56 Ų | 56 | 115.3 Ų | 115.3 | 34% | 0.344 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.6 | -39.6 | 178.3 | -54.2 | 0 | 0 | 0 | 0 | 111.3 | D6 L7 I11 M12 I13 | D6-T9 WeakPolarHBondContact O-CA 3.45Å; D6-T9 WeakPolarHBondContact O-CB 3.38Å; D6-T9 PolarHBondContact O-N 2.98Å; L7-T9 PolarHBondContact O-N 3.48Å; T9-I11 PolarHBondContact O-N 3.23Å; T9-M12 PolarHBondContact O-N 2.92Å; T9-I13 HydrophobicContact CG2-CD1 3.88Å; T9-I13 WeakPolarHBondContact O-CD1 3.36Å; T9-I13 WeakPolarHBondContact O-CG1 3.37Å; T9-I13 PolarHBondContact O-N 3.36Å |
| 10 | K | 86.8 | Confident | 82.2 | Confident | 151 Ų | 151 | 114.9 Ų | 114.9 | 66% | 0.657 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.7 | -40 | 177.5 | -167 | 168.5 | -178.8 | 166.6 | 0 | 112 | D6 L7 G14 | D6-K10 PolarHBondContact O-N 3.4Å; L7-K10 PolarHBondContact O-N 2.86Å; K10-G14 PolarHBondContact O-N 2.88Å; K10-G14 VanDerWaalsContact O-N 3.08Å |
| 11 | I | 91.3 | Very high | 82.9 | Confident | 92 Ų | 92 | 113.7 Ų | 113.7 | 47% | 0.472 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.5 | -45.1 | 175.3 | -66.5 | 163.9 | 0 | 0 | 0 | 110.8 | L7 R8 T9 I13 G14 I15 | L7-I11 HydrophobicContact CD1-CD1 4.42Å; L7-I11 HydrophobicContact CG-CD1 3.99Å; L7-I11 WeakPolarHBondContact O-CD1 3.12Å; L7-I11 VanDerWaalsContact O-CG1 3.25Å; L7-I11 WeakPolarHBondContact O-CG1 3.36Å; L7-I11 PolarHBondContact O-N 2.93Å; R8-I11 PolarHBondContact O-N 3.27Å; T9-I11 PolarHBondContact O-N 3.23Å; I11-I13 VanDerWaalsContact C-N 3.33Å; I11-I13 PolarHBondContact O-N 3.41Å; I11-G14 PolarHBondContact O-N 3.33Å; I11-G14 VanDerWaalsContact O-N 3.16Å; I11-I15 HydrophobicContact CG2-CD1 3.72Å; I11-I15 HydrophobicContact CG2-CG1 4.38Å; I11-I15 WeakPolarHBondContact O-CG1 3.19Å; I11-I15 PolarHBondContact O-N 2.98Å |
| 12 | M | 91.5 | Very high | 85.6 | Confident | 132 Ų | 132 | 107 Ų | 107 | 65% | 0.65 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.2 | -40.9 | 179.8 | -169.1 | 173.2 | 71.2 | 0 | 0 | 112.4 | R8 T9 I15 G16 | R8-M12 WeakPolarHBondContact O-CB 3.41Å; R8-M12 PolarHBondContact O-N 3.43Å; T9-M12 PolarHBondContact O-N 2.92Å; M12-I15 PolarHBondContact O-N 3.39Å; M12-G16 PolarHBondContact O-N 3.41Å |
| 13 | I | 92.1 | Very high | 87.7 | Confident | 108 Ų | 108 | 105.5 Ų | 105.5 | 55% | 0.554 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66.4 | -40.1 | 175.4 | -71.8 | 160.6 | 0 | 0 | 0 | 111.2 | T9 I11 S17 | T9-I13 HydrophobicContact CG2-CD1 3.88Å; T9-I13 WeakPolarHBondContact O-CD1 3.36Å; T9-I13 WeakPolarHBondContact O-CG1 3.37Å; T9-I13 PolarHBondContact O-N 3.36Å; I11-I13 VanDerWaalsContact C-N 3.33Å; I11-I13 PolarHBondContact O-N 3.41Å; I13-S17 WeakPolarHBondContact O-CB 3.41Å; I13-S17 PolarHBondContact O-N 2.94Å; I13-S17 PolarHBondContact O-OG 3.35Å |
| 14 | G | 92.8 | Very high | 89.4 | Confident | 35 Ų | 35 | 102 Ų | 102 | 36% | 0.361 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K10 I11 S17 S18 | K10-G14 PolarHBondContact O-N 2.88Å; K10-G14 VanDerWaalsContact O-N 3.08Å; I11-G14 PolarHBondContact O-N 3.33Å; I11-G14 VanDerWaalsContact O-N 3.16Å; G14-S17 PolarHBondContact O-OG 2.84Å; G14-S17 VanDerWaalsContact O-OG 3.1Å; G14-S18 WeakPolarHBondContact O-CB 3.27Å; G14-S18 PolarHBondContact O-N 3.27Å; G14-S18 PolarHBondContact O-OG 3.47Å |
| 15 | I | 95.3 | Very high | 91 | Very high | 106 Ų | 106 | 96.8 Ų | 96.8 | 54% | 0.544 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.8 | -48 | 178.7 | -61.9 | 166.3 | 0 | 0 | 0 | 110.2 | I11 M12 S17 S18 L19 | I11-I15 HydrophobicContact CG2-CD1 3.72Å; I11-I15 HydrophobicContact CG2-CG1 4.38Å; I11-I15 WeakPolarHBondContact O-CG1 3.19Å; I11-I15 PolarHBondContact O-N 2.98Å; M12-I15 PolarHBondContact O-N 3.39Å; I15-S17 PolarHBondContact O-N 3.5Å; I15-S18 PolarHBondContact O-OG 3.28Å; I15-L19 WeakPolarHBondContact O-CB 3.42Å; I15-L19 PolarHBondContact O-N 3.01Å |
| 16 | G | 94.2 | Very high | 92.7 | Very high | 41 Ų | 41 | 95 Ų | 95 | 42% | 0.423 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | M12 L19 L20 | M12-G16 PolarHBondContact O-N 3.41Å; G16-L19 PolarHBondContact O-N 2.77Å; G16-L20 WeakPolarHBondContact O-CB 3.36Å; G16-L20 PolarHBondContact O-N 3.22Å |
| 17 | S | 94.3 | Very high | 93.5 | Very high | 58 Ų | 58 | 95.2 Ų | 95.2 | 41% | 0.406 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 179.7 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | I13 G14 I15 L19 L20 V21 | I13-S17 WeakPolarHBondContact O-CB 3.41Å; I13-S17 PolarHBondContact O-N 2.94Å; I13-S17 PolarHBondContact O-OG 3.35Å; G14-S17 PolarHBondContact O-OG 2.84Å; G14-S17 VanDerWaalsContact O-OG 3.1Å; I15-S17 PolarHBondContact O-N 3.5Å; S17-L19 VanDerWaalsContact C-N 3.33Å; S17-L19 PolarHBondContact O-N 3.32Å; S17-L20 PolarHBondContact O-N 2.93Å; S17-V21 VanDerWaalsContact O-CG2 3.31Å; S17-V21 WeakPolarHBondContact O-CG2 3.32Å; S17-V21 PolarHBondContact O-N 3.45Å |
| 18 | S | 94.8 | Very high | 94 | Very high | 68 Ų | 68 | 94.1 Ų | 94.1 | 48% | 0.476 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 176.7 | 56.2 | 0 | 0 | 0 | 0 | 111.9 | G14 I15 V21 A22 | G14-S18 WeakPolarHBondContact O-CB 3.27Å; G14-S18 PolarHBondContact O-N 3.27Å; G14-S18 PolarHBondContact O-OG 3.47Å; I15-S18 PolarHBondContact O-OG 3.28Å; S18-V21 PolarHBondContact O-N 3.5Å; S18-A22 WeakPolarHBondContact O-CB 3.24Å; S18-A22 PolarHBondContact O-N 2.89Å |
| 19 | L | 96.8 | Very high | 94.6 | Very high | 126 Ų | 126 | 87.7 Ų | 87.7 | 66% | 0.66 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.1 | -40.6 | 175.7 | -147.1 | 73.7 | 0 | 0 | 0 | 111.7 | I15 G16 S17 A22 A23 | I15-L19 WeakPolarHBondContact O-CB 3.42Å; I15-L19 PolarHBondContact O-N 3.01Å; G16-L19 PolarHBondContact O-N 2.77Å; S17-L19 VanDerWaalsContact C-N 3.33Å; S17-L19 PolarHBondContact O-N 3.32Å; L19-A22 PolarHBondContact O-N 3.31Å; L19-A23 WeakPolarHBondContact O-CB 3.41Å; L19-A23 PolarHBondContact O-N 2.95Å |
| 20 | L | 97.1 | Very high | 95 | Very high | 107 Ų | 107 | 89.5 Ų | 89.5 | 56% | 0.56 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.4 | -45.1 | 176.9 | -175.9 | 64 | 0 | 0 | 0 | 111.7 | G16 S17 A23 M24 | G16-L20 WeakPolarHBondContact O-CB 3.36Å; G16-L20 PolarHBondContact O-N 3.22Å; S17-L20 PolarHBondContact O-N 2.93Å; L20-A23 PolarHBondContact O-N 3.38Å; L20-M24 HydrophobicContact CD1-CE 4.35Å; L20-M24 WeakPolarHBondContact O-CG 3.32Å; L20-M24 PolarHBondContact O-N 2.92Å |
| 21 | V | 96.9 | Very high | 95.4 | Very high | 91 Ų | 91 | 87.6 Ų | 87.6 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.7 | -44.6 | 176.8 | 172 | 0 | 0 | 0 | 0 | 110.4 | S17 S18 A23 M24 V25 | S17-V21 VanDerWaalsContact O-CG2 3.31Å; S17-V21 WeakPolarHBondContact O-CG2 3.32Å; S17-V21 PolarHBondContact O-N 3.45Å; S18-V21 PolarHBondContact O-N 3.5Å; V21-A23 VanDerWaalsContact C-N 3.34Å; V21-A23 PolarHBondContact O-N 3.37Å; V21-M24 PolarHBondContact O-N 2.83Å; V21-V25 HydrophobicContact CG1-CG2 4.4Å; V21-V25 WeakPolarHBondContact O-CG2 3.28Å; V21-V25 PolarHBondContact O-N 3.41Å |
| 22 | A | 97.1 | Very high | 95.5 | Very high | 50 Ų | 50 | 86.9 Ų | 86.9 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.4 | -45.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S18 L19 M24 V25 L26 | S18-A22 WeakPolarHBondContact O-CB 3.24Å; S18-A22 PolarHBondContact O-N 2.89Å; L19-A22 PolarHBondContact O-N 3.31Å; A22-M24 PolarHBondContact O-N 3.47Å; A22-V25 PolarHBondContact O-N 2.84Å; A22-L26 WeakPolarHBondContact O-CG 3.46Å; A22-L26 PolarHBondContact O-N 2.89Å |
| 23 | A | 97.5 | Very high | 95.7 | Very high | 45 Ų | 45 | 85.3 Ų | 85.3 | 37% | 0.372 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L19 L20 V21 V25 L26 L27 | L19-A23 WeakPolarHBondContact O-CB 3.41Å; L19-A23 PolarHBondContact O-N 2.95Å; L20-A23 PolarHBondContact O-N 3.38Å; V21-A23 VanDerWaalsContact C-N 3.34Å; V21-A23 PolarHBondContact O-N 3.37Å; A23-V25 PolarHBondContact O-N 3.37Å; A23-L26 PolarHBondContact O-N 3.28Å; A23-L27 WeakPolarHBondContact O-CG 3.21Å; A23-L27 PolarHBondContact O-N 3.47Å |
| 24 | M | 96.4 | Very high | 95.8 | Very high | 103 Ų | 103 | 88.2 Ų | 88.2 | 51% | 0.507 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 177.3 | -72.5 | -66.2 | -175.3 | 0 | 0 | 112 | L20 V21 A22 L26 L27 I28 | L20-M24 HydrophobicContact CD1-CE 4.35Å; L20-M24 WeakPolarHBondContact O-CG 3.32Å; L20-M24 PolarHBondContact O-N 2.92Å; V21-M24 PolarHBondContact O-N 2.83Å; A22-M24 PolarHBondContact O-N 3.47Å; M24-L26 VanDerWaalsContact C-N 3.35Å; M24-L26 PolarHBondContact O-N 3.45Å; M24-L27 PolarHBondContact O-N 2.8Å; M24-I28 VanDerWaalsContact O-CG1 3.27Å; M24-I28 WeakPolarHBondContact O-CG1 3.32Å; M24-I28 PolarHBondContact O-N 3.33Å |
| 25 | V | 97.2 | Very high | 95.5 | Very high | 79 Ų | 79 | 90.4 Ų | 90.4 | 48% | 0.479 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 176.8 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | V21 A22 A23 L27 I28 V29 | V21-V25 HydrophobicContact CG1-CG2 4.4Å; V21-V25 WeakPolarHBondContact O-CG2 3.28Å; V21-V25 PolarHBondContact O-N 3.41Å; A22-V25 PolarHBondContact O-N 2.84Å; A23-V25 PolarHBondContact O-N 3.37Å; V25-L27 PolarHBondContact O-N 3.47Å; V25-I28 PolarHBondContact O-N 2.94Å; V25-V29 HydrophobicContact CG1-CG2 4.4Å; V25-V29 WeakPolarHBondContact O-CG2 3.31Å; V25-V29 PolarHBondContact O-N 3.48Å |
| 26 | L | 97.4 | Very high | 95.3 | Very high | 117 Ų | 117 | 92.7 Ų | 92.7 | 61% | 0.613 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.2 | -45 | 176.8 | -72.3 | 172.8 | 0 | 0 | 0 | 111.7 | A22 A23 M24 I28 V29 V30 | A22-L26 WeakPolarHBondContact O-CG 3.46Å; A22-L26 PolarHBondContact O-N 2.89Å; A23-L26 PolarHBondContact O-N 3.28Å; M24-L26 VanDerWaalsContact C-N 3.35Å; M24-L26 PolarHBondContact O-N 3.45Å; L26-I28 PolarHBondContact O-N 3.48Å; L26-V29 PolarHBondContact O-N 3.5Å; L26-V30 VanDerWaalsContact O-CG2 3.28Å; L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 3.26Å |
| 27 | L | 96.8 | Very high | 95.1 | Very high | 104 Ų | 104 | 95.3 Ų | 95.3 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 176.4 | -71.8 | 173.1 | 0 | 0 | 0 | 111.7 | A23 M24 V25 V29 V30 L31 | A23-L27 WeakPolarHBondContact O-CG 3.21Å; A23-L27 PolarHBondContact O-N 3.47Å; M24-L27 PolarHBondContact O-N 2.8Å; V25-L27 PolarHBondContact O-N 3.47Å; L27-V29 PolarHBondContact O-N 3.26Å; L27-V30 PolarHBondContact O-N 2.88Å; L27-L31 WeakPolarHBondContact O-CB 3.24Å; L27-L31 VanDerWaalsContact O-CG 3.24Å; L27-L31 WeakPolarHBondContact O-CG 3.35Å; L27-L31 PolarHBondContact O-N 3.43Å |
| 28 | I | 96 | Very high | 94.6 | Very high | 101 Ų | 101 | 94.1 Ų | 94.1 | 52% | 0.518 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.1 | -48 | 177.4 | -68.6 | 163.7 | 0 | 0 | 0 | 110.5 | M24 V25 L26 V30 L31 C32 | M24-I28 VanDerWaalsContact O-CG1 3.27Å; M24-I28 WeakPolarHBondContact O-CG1 3.32Å; M24-I28 PolarHBondContact O-N 3.33Å; V25-I28 PolarHBondContact O-N 2.94Å; L26-I28 PolarHBondContact O-N 3.48Å; I28-V30 PolarHBondContact O-N 3.37Å; I28-L31 PolarHBondContact O-N 2.94Å; I28-C32 WeakPolarHBondContact O-CB 3.32Å; I28-C32 PolarHBondContact O-N 3.3Å; I28-C32 PolarHBondContact O-SG 2.94Å |
| 29 | V | 97 | Very high | 94 | Very high | 72 Ų | 72 | 98 Ų | 98 | 44% | 0.436 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 179.4 | 171 | 0 | 0 | 0 | 0 | 111 | V25 L26 L27 L31 C32 L33 | V25-V29 HydrophobicContact CG1-CG2 4.4Å; V25-V29 WeakPolarHBondContact O-CG2 3.31Å; V25-V29 PolarHBondContact O-N 3.48Å; L26-V29 PolarHBondContact O-N 3.5Å; L27-V29 PolarHBondContact O-N 3.26Å; V29-L31 PolarHBondContact O-N 3.29Å; V29-C32 PolarHBondContact O-N 3.47Å; V29-L33 HydrophobicContact CG1-CD1 4Å; V29-L33 HydrophobicContact CG1-CG 4.39Å; V29-L33 WeakPolarHBondContact O-CB 3.29Å; V29-L33 VanDerWaalsContact O-CG 3.29Å; V29-L33 WeakPolarHBondContact O-CG 3.28Å; V29-L33 PolarHBondContact O-N 2.92Å |
| 30 | V | 96 | Very high | 93.5 | Very high | 94 Ų | 94 | 94.9 Ų | 94.9 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.8 | -45.2 | 177.8 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | L26 L27 I28 L33 Y34 | L26-V30 VanDerWaalsContact O-CG2 3.28Å; L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 3.26Å; L27-V30 PolarHBondContact O-N 2.88Å; I28-V30 PolarHBondContact O-N 3.37Å; V30-L33 PolarHBondContact O-N 3.1Å; V30-Y34 WeakPolarHBondContact O-CB 3.21Å; V30-Y34 PolarHBondContact O-N 2.93Å |
| 31 | L | 94.4 | Very high | 92.7 | Very high | 110 Ų | 110 | 95.3 Ų | 95.3 | 58% | 0.576 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.3 | -43.4 | 177.2 | -71.9 | 170.7 | 0 | 0 | 0 | 111.9 | L27 I28 V29 L33 Y34 V35 | L27-L31 WeakPolarHBondContact O-CB 3.24Å; L27-L31 VanDerWaalsContact O-CG 3.24Å; L27-L31 WeakPolarHBondContact O-CG 3.35Å; L27-L31 PolarHBondContact O-N 3.43Å; I28-L31 PolarHBondContact O-N 2.94Å; V29-L31 PolarHBondContact O-N 3.29Å; L31-L33 PolarHBondContact O-N 2.89Å; L31-Y34 PolarHBondContact O-N 2.99Å; L31-V35 WeakPolarHBondContact O-CG2 3.4Å; L31-V35 PolarHBondContact O-N 3.43Å |
| 32 | C | 94.5 | Very high | 91.8 | Very high | 78 Ų | 78 | 98.2 Ų | 98.2 | 53% | 0.527 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 176.4 | -71.4 | 0 | 0 | 0 | 0 | 111.7 | I28 V29 V35 K36 | I28-C32 WeakPolarHBondContact O-CB 3.32Å; I28-C32 PolarHBondContact O-N 3.3Å; I28-C32 PolarHBondContact O-SG 2.94Å; V29-C32 PolarHBondContact O-N 3.47Å; C32-V35 PolarHBondContact O-N 3.08Å; C32-K36 WeakPolarHBondContact O-CB 3.36Å; C32-K36 PolarHBondContact O-N 3.39Å |
| 33 | L | 94.8 | Very high | 90.7 | Very high | 99 Ų | 99 | 99.3 Ų | 99.3 | 52% | 0.518 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 175.6 | -70.9 | 176 | 0 | 0 | 0 | 111 | V29 V30 L31 V35 K36 V37 | V29-L33 HydrophobicContact CG1-CD1 4Å; V29-L33 HydrophobicContact CG1-CG 4.39Å; V29-L33 WeakPolarHBondContact O-CB 3.29Å; V29-L33 VanDerWaalsContact O-CG 3.29Å; V29-L33 WeakPolarHBondContact O-CG 3.28Å; V29-L33 PolarHBondContact O-N 2.92Å; V30-L33 PolarHBondContact O-N 3.1Å; L31-L33 PolarHBondContact O-N 2.89Å; L33-V35 PolarHBondContact O-N 3.16Å; L33-K36 PolarHBondContact O-N 3.49Å; L33-V37 WeakPolarHBondContact O-CB 3.34Å; L33-V37 VanDerWaalsContact O-CG2 3.28Å; L33-V37 WeakPolarHBondContact O-CG2 3.32Å; L33-V37 PolarHBondContact O-N 3.5Å |
| 34 | Y | 93.9 | Very high | 89.5 | Confident | 168 Ų | 168 | 100.9 Ų | 100.9 | 66% | 0.659 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.5 | -47.3 | 177.1 | -176.6 | -95.4 | 0 | 0 | 0 | 111.6 | V30 L31 K36 V37 A38 | V30-Y34 WeakPolarHBondContact O-CB 3.21Å; V30-Y34 PolarHBondContact O-N 2.93Å; L31-Y34 PolarHBondContact O-N 2.99Å; Y34-K36 PolarHBondContact O-N 2.94Å; Y34-V37 PolarHBondContact O-N 3.35Å; Y34-A38 WeakPolarHBondContact O-CB 3.34Å; Y34-A38 PolarHBondContact O-N 3.04Å |
| 35 | V | 88.2 | Confident | 87.9 | Confident | 82 Ų | 82 | 104.2 Ų | 104.2 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63 | -42.7 | 176.4 | 172 | 0 | 0 | 0 | 0 | 111 | L31 C32 L33 A38 K39 | L31-V35 WeakPolarHBondContact O-CG2 3.4Å; L31-V35 PolarHBondContact O-N 3.43Å; C32-V35 PolarHBondContact O-N 3.08Å; L33-V35 PolarHBondContact O-N 3.16Å; V35-A38 PolarHBondContact O-N 2.7Å; V35-K39 HydrophobicContact CG1-CG 4.28Å; V35-K39 WeakPolarHBondContact O-CB 3.47Å; V35-K39 WeakPolarHBondContact O-CG 3.37Å; V35-K39 PolarHBondContact O-N 2.86Å |
| 36 | K | 91 | Very high | 85.7 | Confident | 154 Ų | 154 | 106.1 Ų | 106.1 | 67% | 0.67 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -62.3 | -45.3 | 178.8 | -167.8 | -175.1 | 179.3 | 95.5 | 0 | 111.4 | C32 L33 Y34 K39 A40 | C32-K36 WeakPolarHBondContact O-CB 3.36Å; C32-K36 PolarHBondContact O-N 3.39Å; L33-K36 PolarHBondContact O-N 3.49Å; Y34-K36 PolarHBondContact O-N 2.94Å; K36-K39 PolarHBondContact O-N 2.82Å; K36-A40 WeakPolarHBondContact O-CB 3.25Å; K36-A40 PolarHBondContact O-N 2.94Å |
| 37 | V | 88.9 | Confident | 83.5 | Confident | 96 Ų | 96 | 106.2 Ų | 106.2 | 58% | 0.582 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.3 | -42.2 | 176.8 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | L33 Y34 K39 A40 L41 | L33-V37 WeakPolarHBondContact O-CB 3.34Å; L33-V37 VanDerWaalsContact O-CG2 3.28Å; L33-V37 WeakPolarHBondContact O-CG2 3.32Å; L33-V37 PolarHBondContact O-N 3.5Å; Y34-V37 PolarHBondContact O-N 3.35Å; V37-K39 VanDerWaalsContact C-N 3.31Å; V37-K39 PolarHBondContact O-N 3.01Å; V37-A40 PolarHBondContact O-N 3.45Å; V37-L41 VanDerWaalsContact O-CB 3.24Å; V37-L41 WeakPolarHBondContact O-CB 3.4Å; V37-L41 PolarHBondContact O-N 3.05Å |
| 38 | A | 85 | Confident | 81 | Confident | 33 Ų | 33 | 108.4 Ų | 108.4 | 27% | 0.273 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.8 | -38.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y34 V35 K42 | Y34-A38 WeakPolarHBondContact O-CB 3.34Å; Y34-A38 PolarHBondContact O-N 3.04Å; V35-A38 PolarHBondContact O-N 2.7Å; A38-K42 WeakPolarHBondContact O-CB 3.4Å; A38-K42 WeakPolarHBondContact O-CG 3.45Å; A38-K42 PolarHBondContact O-N 2.91Å |
| 39 | K | 82.1 | Confident | 78.4 | Confident | 149 Ų | 149 | 107.8 Ų | 107.8 | 65% | 0.648 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.9 | -44.7 | 174.1 | -72.3 | -75.5 | -176.9 | 169.8 | 0 | 111.6 | V35 K36 V37 K42 A43 | V35-K39 HydrophobicContact CG1-CG 4.28Å; V35-K39 WeakPolarHBondContact O-CB 3.47Å; V35-K39 WeakPolarHBondContact O-CG 3.37Å; V35-K39 PolarHBondContact O-N 2.86Å; K36-K39 PolarHBondContact O-N 2.82Å; V37-K39 VanDerWaalsContact C-N 3.31Å; V37-K39 PolarHBondContact O-N 3.01Å; K39-K42 PolarHBondContact O-N 3.1Å; K39-A43 PolarHBondContact O-N 3.48Å |
| 40 | A | 84.8 | Confident | 76.3 | Confident | 61 Ų | 61 | 111.4 Ų | 111.4 | 50% | 0.504 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.4 | -41.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | K36 V37 A43 A44 | K36-A40 WeakPolarHBondContact O-CB 3.25Å; K36-A40 PolarHBondContact O-N 2.94Å; V37-A40 PolarHBondContact O-N 3.45Å; A40-A43 PolarHBondContact O-N 3.14Å; A40-A44 WeakPolarHBondContact O-CB 3.47Å; A40-A44 PolarHBondContact O-N 3.18Å |
| 41 | L | 80.4 | Confident | 74 | Confident | 115 Ų | 115 | 111 Ų | 111 | 60% | 0.602 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.3 | -40.9 | 177.2 | -175.4 | 68.4 | 0 | 0 | 0 | 111.6 | V37 A44 K45 | V37-L41 VanDerWaalsContact O-CB 3.24Å; V37-L41 WeakPolarHBondContact O-CB 3.4Å; V37-L41 PolarHBondContact O-N 3.05Å; L41-A44 PolarHBondContact O-N 2.86Å; L41-K45 WeakPolarHBondContact O-CB 3.5Å; L41-K45 PolarHBondContact O-N 3.43Å |
| 42 | K | 78.7 | Confident | 71.3 | Confident | 152 Ų | 152 | 112.3 Ų | 112.3 | 66% | 0.661 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -61.1 | -46.3 | 172.9 | -79.8 | -170.1 | 176.4 | -167.4 | 0 | 111.3 | A38 K39 A44 K45 D46 | A38-K42 WeakPolarHBondContact O-CB 3.4Å; A38-K42 WeakPolarHBondContact O-CG 3.45Å; A38-K42 PolarHBondContact O-N 2.91Å; K39-K42 PolarHBondContact O-N 3.1Å; K42-A44 VanDerWaalsContact C-N 3.31Å; K42-A44 PolarHBondContact O-N 2.93Å; K42-K45 PolarHBondContact O-N 2.95Å; K42-D46 PolarHBondContact O-N 3.24Å |
| 43 | A | 73.2 | Confident | 69 | Low | 73 Ų | 73 | 118.1 Ų | 118.1 | 60% | 0.603 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -63.4 | -35.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | K39 A40 K45 | K39-A43 PolarHBondContact O-N 3.48Å; A40-A43 PolarHBondContact O-N 3.14Å; A43-K45 VanDerWaalsContact C-N 3.35Å |
| 44 | A | 71.9 | Confident | 66.1 | Low | 79 Ų | 79 | 121.8 Ų | 121.8 | 65% | 0.653 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -75.3 | -22.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A40 L41 K42 | A40-A44 WeakPolarHBondContact O-CB 3.47Å; A40-A44 PolarHBondContact O-N 3.18Å; L41-A44 PolarHBondContact O-N 2.86Å; K42-A44 VanDerWaalsContact C-N 3.31Å; K42-A44 PolarHBondContact O-N 2.93Å |
| 45 | K | 64.6 | Low | 63.3 | Low | 173 Ų | 173 | 121.2 Ų | 121.2 | 75% | 0.752 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -89 | -7.7 | 179 | -142.3 | 178.8 | 79.7 | 157.7 | 0 | 113.8 | L41 K42 A43 P47 | L41-K45 WeakPolarHBondContact O-CB 3.5Å; L41-K45 PolarHBondContact O-N 3.43Å; K42-K45 PolarHBondContact O-N 2.95Å; A43-K45 VanDerWaalsContact C-N 3.35Å; K45-P47 WeakPolarHBondContact O-CD 3.48Å |
| 46 | D | 51.2 | Low | 60.6 | Low | 119 Ų | 119 | 121 Ų | 121 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | trans | -105.9 | 74 | 169.8 | -81.2 | -53.4 | 0 | 0 | 0 | 110.7 | K42 D48 | K42-D46 PolarHBondContact O-N 3.24Å; D46-D48 PolarHBondContact O-N 3.06Å | ||
| 47 | P | 50.7 | Low | 58.2 | Low | 119 Ų | 119 | 120 Ų | 120 | 77% | 0.773 | 69% | 0.688 | S | S | * | * | trans | -82 | 14.5 | 167.5 | 33.7 | -33.7 | 0 | 0 | 0 | 113.7 | K45 | K45-P47 WeakPolarHBondContact O-CD 3.48Š| ||
| 48 | D | 43.6 | Very low | 55.8 | Low | 150 Ų | 150 | 119 Ų | 119 | 80% | 0.802 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -150.6 | 77.6 | -179.6 | -144.1 | -43.4 | 0 | 0 | 0 | 112.9 | D46 | D46-D48 PolarHBondContact O-N 3.06Š|
| 49 | A | 40.7 | Very low | 53.5 | Low | 87 Ų | 87 | 125.1 Ų | 125.1 | 72% | 0.719 | 70% | 0.7 | S | S | * | * | trans | -167.3 | 61.3 | 157.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 50 | V | 54.1 | Low | 51.3 | Low | 148 Ų | 148 | 123.1 Ų | 123.1 | 90% | 0.897 | 70% | 0.7 | S | S | * | * | trans | -79.5 | 121.2 | 156.9 | -179.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 51 | A | 48.1 | Very low | 48.7 | Very low | 85 Ų | 85 | 131.2 Ų | 131.2 | 70% | 0.702 | 72% | 0.718 | S | S | * | * | trans | 77.7 | 102.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 52 | V | 38 | Very low | 46.6 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 84% | 0.842 | 73% | 0.729 | S | S | * | * | -176 | 125.8 | 102.2 | 150.6 | 0 | 0 | 0 | 0 | 110 | H54 | V52-H54 PolarHBondContact O-N 3.41Š| |||
| 53 | K | 46.3 | Very low | 44.4 | Very low | 199 Ų | 199 | 132.5 Ų | 132.5 | 87% | 0.865 | 73% | 0.726 | S | S | * | * | trans | -29.7 | 118.7 | 160 | -156.4 | -168.9 | -168.3 | -167.1 | 0 | 114.4 | ||||
| 54 | H | 33.2 | Very low | 42.5 | Very low | 177 Ų | 177 | 139.2 Ų | 139.2 | 82% | 0.819 | 74% | 0.742 | S | S | * | * | trans | -164.9 | 96.9 | 147.6 | -128.9 | -103.9 | 0 | 0 | 0 | 109.2 | V52 | V52-H54 PolarHBondContact O-N 3.41Š| ||
| 55 | H | 33.8 | Very low | 41.1 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | 74.3 | 100.3 | 97.3 | -156.4 | -60.3 | 0 | 0 | 0 | 114.5 | |||||
| 56 | S | 32.6 | Very low | 39.7 | Very low | 76 Ų | 76 | 139.5 Ų | 139.5 | 53% | 0.531 | 75% | 0.75 | S | S | . | * | trans | 63.7 | 132.3 | 160 | -62.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 57 | P | 39.3 | Very low | 39.2 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -117.3 | 79.5 | 138.7 | 36.1 | -22.3 | 0 | 0 | 0 | 108.4 | ||||
| 58 | D | 39 | Very low | 38.3 | Very low | 75 Ų | 75 | 141.8 Ų | 141.8 | 40% | 0.401 | 76% | 0.76 | S | S | . | * | trans | -127.9 | 98.5 | 158.1 | -112.6 | -41 | 0 | 0 | 0 | 107 | Y76 S78 | D58-Y76 HydrophobicContact CB-CE1 4.5Å; D58-Y76 WeakPolarHBondContact OD2-CE1 3.37Å; D58-S78 WeakPolarHBondContact OD2-CB 3.46Å | ||
| 59 | K | 37.8 | Very low | 37.8 | Very low | 162 Ų | 162 | 143.6 Ų | 143.6 | 70% | 0.704 | 76% | 0.761 | S | S | * | * | trans | -178.7 | 108.3 | 133.6 | -92 | 160.6 | -158.3 | -137.2 | 0 | 111.2 | ||||
| 60 | V | 35.7 | Very low | 37.2 | Very low | 107 Ų | 107 | 146 Ų | 146 | 65% | 0.648 | 76% | 0.762 | S | S | * | * | 72.4 | 108.5 | 128.4 | -173.1 | 0 | 0 | 0 | 0 | 119 | |||||
| 61 | W | 29.8 | Very low | 36.2 | Very low | 231 Ų | 231 | 144.5 Ų | 144.5 | 88% | 0.875 | 75% | 0.753 | S | S | * | * | -145.3 | 96.2 | 118.2 | -174.4 | -88.5 | 0 | 0 | 0 | 109.7 | A63 | W61-A63 PolarHBondContact NE1-O 3.04Š| |||
| 62 | W | 35.5 | Very low | 35.5 | Very low | 220 Ų | 220 | 146.7 Ų | 146.7 | 83% | 0.833 | 76% | 0.758 | S | S | * | * | trans | -76.4 | 151.3 | 163.5 | -64.6 | 86.9 | 0 | 0 | 0 | 109.6 | ||||
| 63 | A | 32.5 | Very low | 35.1 | Very low | 74 Ų | 74 | 148.3 Ų | 148.3 | 61% | 0.612 | 76% | 0.758 | S | S | * | * | trans | 85.9 | 105.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | W61 | W61-A63 PolarHBondContact NE1-O 3.04Š| ||
| 64 | K | 35.1 | Very low | 34.3 | Very low | 214 Ų | 214 | 146.7 Ų | 146.7 | 93% | 0.93 | 75% | 0.754 | S | S | * | * | S | Bend | -150.4 | 68.9 | 118.3 | -159.7 | -179.8 | -177.7 | -174.9 | 0 | 112 | |||
| 65 | N | 41.5 | Very low | 34.2 | Very low | 151 Ų | 151 | 143.9 Ų | 143.9 | 81% | 0.807 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -161.9 | 56.1 | 146.2 | 67.3 | -5 | 0 | 0 | 0 | 113.1 | ||
| 66 | S | 36.1 | Very low | 34.3 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | -170.4 | 106.5 | 145.9 | 35.8 | 0 | 0 | 0 | 0 | 109.9 | A68 | S66-A68 PolarHBondContact O-N 3.34Š| ||
| 67 | Q | 40.1 | Very low | 34.6 | Very low | 200 Ų | 200 | 145.1 Ų | 145.1 | 94% | 0.935 | 76% | 0.757 | S | S | * | * | trans | -69.5 | 108.6 | 156.1 | 173.5 | -165.3 | 89.5 | 0 | 0 | 106.6 | ||||
| 68 | A | 31.1 | Very low | 34.5 | Very low | 85 Ų | 85 | 141.9 Ų | 141.9 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | trans | -172.4 | 94.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | S66 | S66-A68 PolarHBondContact O-N 3.34Š| ||
| 69 | K | 33.7 | Very low | 34.5 | Very low | 189 Ų | 189 | 146.6 Ų | 146.6 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | 47.7 | 133.6 | 137.9 | -64.9 | -164.4 | 173.3 | -156.2 | 0 | 121.5 | ||||
| 70 | D | 28.5 | Very low | 34.5 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | trans | 101 | 96.6 | 142.8 | -60.9 | -21.1 | 0 | 0 | 0 | 119.6 | ||||
| 71 | T | 31.5 | Very low | 34.5 | Very low | 117 Ų | 117 | 148.3 Ų | 148.3 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | 65.6 | 114.5 | 125.4 | -5 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 72 | T | 34.2 | Very low | 35 | Very low | 130 Ų | 130 | 143.1 Ų | 143.1 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | 55.2 | 118.1 | 140.7 | -54.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 73 | M | 28.8 | Very low | 35.3 | Very low | 173 Ų | 173 | 142.5 Ų | 142.5 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | 165.6 | 108.5 | 122.2 | -171.6 | 158 | -177.2 | 0 | 0 | 111.2 | |||||
| 74 | E | 31 | Very low | 35.9 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 38.2 | 122.6 | 134.1 | -53.7 | -63.9 | 103.6 | 0 | 0 | 121 | ||||
| 75 | S | 31.1 | Very low | 36.1 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 74.5 | 120.3 | 137.3 | -152.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 76 | Y | 36.1 | Very low | 36.2 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 56% | 0.561 | 79% | 0.787 | S | S | * | * | trans | -122.3 | 141.4 | 172.7 | -163.2 | -95.2 | 0 | 0 | 0 | 108.6 | D58 | D58-Y76 HydrophobicContact CB-CE1 4.5Å; D58-Y76 WeakPolarHBondContact OD2-CE1 3.37Å | ||
| 77 | P | 38.7 | Very low | 36.2 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | -139.8 | 157.2 | 128.2 | 29.6 | -10.8 | 0 | 0 | 0 | 115.4 | |||||
| 78 | S | 35.8 | Very low | 36.3 | Very low | 65 Ų | 65 | 147.2 Ų | 147.2 | 46% | 0.455 | 79% | 0.792 | S | S | . | * | trans | -64.2 | 142.1 | -173.9 | 53.5 | 0 | 0 | 0 | 0 | 117.6 | D58 | D58-S78 WeakPolarHBondContact OD2-CB 3.46Š| ||
| 79 | L | 40.3 | Very low | 36.4 | Very low | 173 Ų | 173 | 146.4 Ų | 146.4 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | -130 | 124.2 | 166.7 | -141.3 | 152.9 | 0 | 0 | 0 | 110.2 | ||||
| 80 | Q | 37.6 | Very low | 36.9 | Very low | 185 Ų | 185 | 143 Ų | 143 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -69.3 | 131.7 | -171.2 | -64.6 | -167.5 | -6.3 | 0 | 0 | 112.5 | ||||
| 81 | C | 36.5 | Very low | 37.2 | Very low | 121 Ų | 121 | 142 Ų | 142 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -78.6 | 123 | 179.9 | -168.9 | 0 | 0 | 0 | 0 | 110.7 | E83 | C81-E83 PolarHBondContact O-N 3.5Å; C81-E83 VanDerWaalsContact O-N 3.15Å | ||
| 82 | C | 38.5 | Very low | 38.1 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -60.7 | 109.7 | 174.2 | -81 | 0 | 0 | 0 | 0 | 111.6 | G84 | C82-G84 VanDerWaalsContact C-N 3.25Å; C82-G84 PolarHBondContact O-N 3Å | ||
| 83 | E | 42 | Very low | 38.3 | Very low | 208 Ų | 208 | 143 Ų | 143 | 97% | 0.972 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -80.8 | 68.6 | 174.3 | -162.8 | 141.1 | 176.8 | 0 | 0 | 110.7 | C81 | C81-E83 PolarHBondContact O-N 3.5Å; C81-E83 VanDerWaalsContact O-N 3.15Å |
| 84 | G | 45 | Very low | 39 | Very low | 68 Ų | 68 | 142.8 Ų | 142.8 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | -163.9 | 17.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | C82 | C82-G84 VanDerWaalsContact C-N 3.25Å; C82-G84 PolarHBondContact O-N 3Å | ||
| 85 | C | 39.4 | Very low | 39.9 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 93% | 0.926 | 81% | 0.805 | S | S | * | * | trans | -126.8 | 89.5 | 176.8 | -105.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 86 | R | 43.4 | Very low | 40.5 | Very low | 226 Ų | 226 | 140.4 Ų | 140.4 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -114.8 | 108.1 | 167.1 | -172.3 | -175.9 | 171.5 | 105.4 | 2.2 | 107.2 | ||||
| 87 | M | 37.5 | Very low | 40.7 | Very low | 171 Ų | 171 | 139.5 Ų | 139.5 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | trans | -174.2 | 139.9 | 135 | -87.4 | -38.1 | 161 | 0 | 0 | 110.1 | ||||
| 88 | Y | 41.6 | Very low | 41.1 | Very low | 243 Ų | 243 | 139.6 Ų | 139.6 | 95% | 0.953 | 82% | 0.818 | S | S | * | * | trans | -70.4 | 132.9 | 175.5 | -129.7 | -101 | 0 | 0 | 0 | 110 | ||||
| 89 | G | 34 | Very low | 41.4 | Very low | 69 Ų | 69 | 143 Ų | 143 | 71% | 0.711 | 84% | 0.84 | S | S | * | * | trans | -178 | 116.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 90 | S | 42.5 | Very low | 41.6 | Very low | 118 Ų | 118 | 140.7 Ų | 140.7 | 83% | 0.825 | 83% | 0.828 | S | S | * | * | trans | -67.8 | 162.1 | 173.5 | -168.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 91 | C | 35.1 | Very low | 41.6 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | S | Bend | trans | 99.7 | 127 | 170.5 | -56.2 | 0 | 0 | 0 | 0 | 116.4 | ||
| 92 | D | 50.2 | Low | 41.9 | Very low | 169 Ų | 169 | 137 Ų | 137 | 90% | 0.904 | 81% | 0.811 | S | S | * | * | trans | -32.2 | 120.7 | -177.9 | -60.4 | -88 | 0 | 0 | 0 | 117.2 | ||||
| 93 | A | 39.6 | Very low | 42.2 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -162.4 | 127.8 | 150.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 94 | L | 43.5 | Very low | 42.2 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -67 | 170.9 | 169.4 | -85.4 | 164.9 | 0 | 0 | 0 | 112.1 | ||||
| 95 | P | 49.2 | Very low | 41.6 | Very low | 114 Ų | 114 | 142.3 Ų | 142.3 | 74% | 0.74 | 83% | 0.834 | S | S | * | * | trans | -94.9 | 158.1 | -139.7 | 38.5 | -36 | 0 | 0 | 0 | 114.6 | ||||
| 96 | P | 43.4 | Very low | 41.7 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 77% | 0.766 | 83% | 0.829 | S | S | * | * | trans | -136.2 | 150 | 147.7 | 35.7 | -20.6 | 0 | 0 | 0 | 111.2 | ||||
| 97 | C | 41.4 | Very low | 41.6 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | cis | -156.9 | 145.6 | 17.6 | -131.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 98 | C | 46.3 | Very low | 41.8 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -63.3 | 136.8 | 169.3 | -60.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 99 | C | 42.1 | Very low | 41.9 | Very low | 136 Ų | 136 | 130.1 Ų | 130.1 | 92% | 0.919 | 82% | 0.82 | S | S | * | * | trans | -110.1 | 89.5 | 149.1 | -72.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 100 | D | 44.8 | Very low | 42.4 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 66% | 0.663 | 83% | 0.826 | S | S | * | * | trans | -83.6 | 123.1 | 161.7 | -163.9 | -68.2 | 0 | 0 | 0 | 107.4 | N102 | D100-N102 PolarHBondContact OD1-OD1 2.97Š| ||
| 101 | T | 36.9 | Very low | 42.3 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | -151.5 | 84.1 | 155.1 | -38.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 102 | N | 43 | Very low | 42.9 | Very low | 96 Ų | 96 | 136.4 Ų | 136.4 | 51% | 0.513 | 83% | 0.83 | S | S | . | * | trans | -31.4 | 140.3 | 131.4 | 55.3 | -40.2 | 0 | 0 | 0 | 109.2 | D100 | D100-N102 PolarHBondContact OD1-OD1 2.97Š| ||
| 103 | E | 45 | Very low | 42.3 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 84% | 0.836 | 82% | 0.824 | S | S | * | * | -172.4 | 135.5 | 77.9 | -32.1 | -161.7 | 116.4 | 0 | 0 | 103.9 | |||||
| 104 | G | 41.8 | Very low | 42.5 | Very low | 78 Ų | 78 | 136.8 Ų | 136.8 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | 112.4 | 101.9 | 66.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 105 | L | 32.9 | Very low | 42.4 | Very low | 252 Ų | 252 | 133.8 Ų | 133.8 | 100% | 1.319 | 82% | 0.819 | S | S | * | * | 165.4 | 0 | 125.1 | -166.2 | 65.9 | 0 | 0 | 0 | 110.9 |
Retrieved 105 of 105 residues in 62.2 ms
(Link to these results)