| 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 | 58.9 | Low | 58.9 | Low | 229 Ų | 229 | 139.6 Ų | 139.6 | 100% | 1.128 | 73% | 0.733 | S | S | * | * | 0 | -48.7 | 0 | -57.2 | -62.7 | -158.9 | 0 | 0 | 113.5 | R3 | M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.16Å | |||
| 2 | A | 61.9 | Low | 59.1 | Low | 81 Ų | 81 | 135.6 Ų | 135.6 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -12.6 | -165.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 3 | R | 61.6 | Low | 59.6 | Low | 232 Ų | 232 | 137.7 Ų | 137.7 | 88% | 0.875 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -17.4 | -175.3 | -59.8 | -176.5 | 96.8 | 153 | 4.7 | 114.6 | M1 | M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.16Å |
| 4 | A | 62.2 | Low | 60.3 | Low | 73 Ų | 73 | 133.1 Ų | 133.1 | 60% | 0.603 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -31 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L6 L7 | A4-L6 VanDerWaalsContact C-N 3.35Å; A4-L6 PolarHBondContact O-N 3.46Å; A4-L7 PolarHBondContact O-N 3.08Å |
| 5 | I | 60.5 | Low | 61.3 | Low | 112 Ų | 112 | 128.4 Ų | 128.4 | 57% | 0.574 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -72.1 | -31.4 | -173.5 | -57.4 | 174 | 0 | 0 | 0 | 111.3 | L7 H8 L9 | I5-L7 VanDerWaalsContact C-N 3.29Å; I5-L7 PolarHBondContact O-N 2.99Å; I5-H8 PolarHBondContact O-N 3.23Å; I5-H8 VanDerWaalsContact O-N 3.17Å; I5-L9 HydrophobicContact CG2-CD1 4.02Å; I5-L9 PolarHBondContact O-N 3.37Å |
| 6 | L | 55.4 | Low | 62.6 | Low | 135 Ų | 135 | 125 Ų | 125 | 71% | 0.707 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -66.3 | -25.7 | -179.7 | -110 | 165.7 | 0 | 0 | 0 | 114 | A4 | A4-L6 VanDerWaalsContact C-N 3.35Å; A4-L6 PolarHBondContact O-N 3.46Å |
| 7 | L | 58.3 | Low | 63.9 | Low | 147 Ų | 147 | 123.9 Ų | 123.9 | 77% | 0.77 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -80.2 | -22.8 | 175.6 | -66.3 | 178.9 | 0 | 0 | 0 | 112.6 | A4 I5 | A4-L7 PolarHBondContact O-N 3.08Å; I5-L7 VanDerWaalsContact C-N 3.29Å; I5-L7 PolarHBondContact O-N 2.99Å |
| 8 | H | 56.4 | Low | 65.3 | Low | 151 Ų | 151 | 122.8 Ų | 122.8 | 70% | 0.699 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -87.5 | -27.5 | -176.5 | -142.1 | -25.2 | 0 | 0 | 0 | 113 | I5 H10 S11 | I5-H8 PolarHBondContact O-N 3.23Å; I5-H8 VanDerWaalsContact O-N 3.17Å; H8-H10 VanDerWaalsContact C-N 3.28Å; H8-H10 PolarHBondContact O-N 3.06Å; H8-S11 PolarHBondContact O-N 3.49Å; H8-S11 PolarHBondContact O-OG 3.17Å |
| 9 | L | 56.4 | Low | 66.5 | Low | 140 Ų | 140 | 121.3 Ų | 121.3 | 73% | 0.733 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -5.9 | 177.8 | -73.1 | 166.5 | 0 | 0 | 0 | 114.1 | I5 S11 | I5-L9 HydrophobicContact CG2-CD1 4.02Å; I5-L9 PolarHBondContact O-N 3.37Å; L9-S11 VanDerWaalsContact C-N 3.27Å |
| 10 | H | 57.9 | Low | 67.8 | Low | 147 Ų | 147 | 120 Ų | 120 | 68% | 0.681 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | 5.3 | 173.2 | -142.4 | 89.4 | 0 | 0 | 0 | 112.9 | H8 D12 | H8-H10 VanDerWaalsContact C-N 3.28Å; H8-H10 PolarHBondContact O-N 3.06Å; H10-D12 PolarHBondContact O-N 3.35Å |
| 11 | S | 58.7 | Low | 69 | Low | 89 Ų | 89 | 119 Ų | 119 | 62% | 0.622 | 64% | 0.637 | S | S | * | * | trans | -78.1 | 54 | 169.3 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | H8 L9 | H8-S11 PolarHBondContact O-N 3.49Å; H8-S11 PolarHBondContact O-OG 3.17Å; L9-S11 VanDerWaalsContact C-N 3.27Å | ||
| 12 | D | 61.4 | Low | 70.7 | Confident | 91 Ų | 91 | 112.9 Ų | 112.9 | 49% | 0.487 | 61% | 0.612 | S | S | . | * | trans | -63.7 | 134.2 | 168.5 | -173.5 | -90.3 | 0 | 0 | 0 | 108.7 | H10 T14 V15 P16 | H10-D12 PolarHBondContact O-N 3.35Å; D12-T14 PolarHBondContact O-N 3.32Å; D12-T14 WeakPolarHBondContact OD1-CB 3.2Å; D12-T14 VanDerWaalsContact OD1-CG2 3.31Å; D12-T14 WeakPolarHBondContact OD1-CG2 3.33Å; D12-T14 PolarHBondContact OD1-N 3.07Å; D12-T14 PolarHBondContact OD1-OG1 3.49Å; D12-V15 HydrophobicContact CB-CG2 4.23Å; D12-V15 WeakPolarHBondContact O-CB 3.37Å; D12-V15 PolarHBondContact O-N 3.08Å; D12-P16 WeakPolarHBondContact O-CD 3.41Å | ||
| 13 | E | 65.3 | Low | 72.3 | Confident | 163 Ų | 163 | 111.8 Ų | 111.8 | 76% | 0.762 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -18.5 | -169.5 | -151.7 | -176.3 | 139.2 | 0 | 0 | 112.6 | P16 | E13-P16 WeakPolarHBondContact O-CD 3.47Å; E13-P16 WeakPolarHBondContact O-CG 3.04Å |
| 14 | T | 69.8 | Low | 74 | Confident | 74 Ų | 74 | 103.2 Ų | 103.2 | 45% | 0.454 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -73.2 | -26.7 | 173.9 | 68.5 | 0 | 0 | 0 | 0 | 113.7 | D12 L17 L18 | D12-T14 PolarHBondContact O-N 3.32Å; D12-T14 WeakPolarHBondContact OD1-CB 3.2Å; D12-T14 VanDerWaalsContact OD1-CG2 3.31Å; D12-T14 WeakPolarHBondContact OD1-CG2 3.33Å; D12-T14 PolarHBondContact OD1-N 3.07Å; D12-T14 PolarHBondContact OD1-OG1 3.49Å; T14-L17 PolarHBondContact O-N 3.06Å; T14-L18 WeakPolarHBondContact O-CB 3.25Å; T14-L18 WeakPolarHBondContact O-CG 3.33Å; T14-L18 PolarHBondContact O-N 3.42Å |
| 15 | V | 74.3 | Confident | 75.7 | Confident | 62 Ų | 62 | 104.3 Ų | 104.3 | 38% | 0.376 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.7 | -52 | -178.1 | -179.6 | 0 | 0 | 0 | 0 | 112.7 | D12 L17 L18 V19 | D12-V15 HydrophobicContact CB-CG2 4.23Å; D12-V15 WeakPolarHBondContact O-CB 3.37Å; D12-V15 PolarHBondContact O-N 3.08Å; V15-L17 VanDerWaalsContact C-N 3.29Å; V15-L17 PolarHBondContact O-N 3.19Å; V15-L18 PolarHBondContact O-N 3.29Å; V15-V19 HydrophobicContact CG1-CG2 4.5Å; V15-V19 WeakPolarHBondContact O-CG2 3.41Å; V15-V19 PolarHBondContact O-N 2.84Å |
| 16 | P | 83.1 | Confident | 77.4 | Confident | 74 Ų | 74 | 101.2 Ų | 101.2 | 48% | 0.481 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.7 | -35.9 | 176.4 | 24.9 | -34.2 | 0 | 0 | 0 | 112.1 | D12 E13 V19 V20 | D12-P16 WeakPolarHBondContact O-CD 3.41Å; E13-P16 WeakPolarHBondContact O-CD 3.47Å; E13-P16 WeakPolarHBondContact O-CG 3.04Å; P16-V19 PolarHBondContact O-N 2.82Å; P16-V20 WeakPolarHBondContact O-CB 3.32Å; P16-V20 VanDerWaalsContact O-CG2 3.26Å; P16-V20 WeakPolarHBondContact O-CG2 3.38Å; P16-V20 PolarHBondContact O-N 3.36Å |
| 17 | L | 84.9 | Confident | 79.4 | Confident | 106 Ų | 106 | 97.3 Ų | 97.3 | 56% | 0.555 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.8 | -45.8 | 176 | -69.6 | 176 | 0 | 0 | 0 | 112 | T14 V15 V19 V20 I21 | T14-L17 PolarHBondContact O-N 3.06Å; V15-L17 VanDerWaalsContact C-N 3.29Å; V15-L17 PolarHBondContact O-N 3.19Å; L17-V19 PolarHBondContact O-N 2.94Å; L17-V20 PolarHBondContact O-N 2.9Å; L17-I21 WeakPolarHBondContact O-CB 3.36Å; L17-I21 WeakPolarHBondContact O-CD1 3.16Å; L17-I21 VanDerWaalsContact O-CG1 3.23Å; L17-I21 WeakPolarHBondContact O-CG1 3.28Å; L17-I21 PolarHBondContact O-N 2.75Å |
| 18 | L | 87.7 | Confident | 81.3 | Confident | 105 Ų | 105 | 94.5 Ų | 94.5 | 55% | 0.55 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 175.8 | -73.1 | 173.1 | 0 | 0 | 0 | 111.7 | T14 V15 I21 V22 | T14-L18 WeakPolarHBondContact O-CB 3.25Å; T14-L18 WeakPolarHBondContact O-CG 3.33Å; T14-L18 PolarHBondContact O-N 3.42Å; V15-L18 PolarHBondContact O-N 3.29Å; L18-I21 PolarHBondContact O-N 3.24Å; L18-V22 WeakPolarHBondContact O-CB 3.34Å; L18-V22 VanDerWaalsContact O-CG2 3.31Å; L18-V22 WeakPolarHBondContact O-CG2 3.36Å; L18-V22 PolarHBondContact O-N 2.76Å |
| 19 | V | 89.6 | Confident | 83.2 | Confident | 93 Ų | 93 | 89.7 Ų | 89.7 | 56% | 0.564 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.8 | -42.8 | 175.1 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | V15 P16 L17 V22 A23 | V15-V19 HydrophobicContact CG1-CG2 4.5Å; V15-V19 WeakPolarHBondContact O-CG2 3.41Å; V15-V19 PolarHBondContact O-N 2.84Å; P16-V19 PolarHBondContact O-N 2.82Å; L17-V19 PolarHBondContact O-N 2.94Å; V19-V22 PolarHBondContact O-N 3.12Å; V19-A23 VanDerWaalsContact O-CB 3.26Å; V19-A23 WeakPolarHBondContact O-CB 3.23Å; V19-A23 PolarHBondContact O-N 3.38Å |
| 20 | V | 91.4 | Very high | 85.1 | Confident | 96 Ų | 96 | 88.9 Ų | 88.9 | 58% | 0.582 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.3 | -42.1 | 175.7 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | P16 L17 A23 A24 | P16-V20 WeakPolarHBondContact O-CB 3.32Å; P16-V20 VanDerWaalsContact O-CG2 3.26Å; P16-V20 WeakPolarHBondContact O-CG2 3.38Å; P16-V20 PolarHBondContact O-N 3.36Å; L17-V20 PolarHBondContact O-N 2.9Å; V20-A23 PolarHBondContact O-N 2.92Å; V20-A24 WeakPolarHBondContact O-CB 3.43Å; V20-A24 PolarHBondContact O-N 2.77Å |
| 21 | I | 93.7 | Very high | 86.9 | Confident | 98 Ų | 98 | 86 Ų | 86 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 176.6 | -69.6 | 162.4 | 0 | 0 | 0 | 110.6 | L17 L18 A23 A24 V25 | L17-I21 WeakPolarHBondContact O-CB 3.36Å; L17-I21 WeakPolarHBondContact O-CD1 3.16Å; L17-I21 VanDerWaalsContact O-CG1 3.23Å; L17-I21 WeakPolarHBondContact O-CG1 3.28Å; L17-I21 PolarHBondContact O-N 2.75Å; L18-I21 PolarHBondContact O-N 3.24Å; I21-A23 PolarHBondContact O-N 3.4Å; I21-A24 PolarHBondContact O-N 2.93Å; I21-V25 WeakPolarHBondContact O-CG2 3.33Å; I21-V25 PolarHBondContact O-N 2.87Å |
| 22 | V | 95.1 | Very high | 88.6 | Confident | 101 Ų | 101 | 86.1 Ų | 86.1 | 61% | 0.612 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -42.3 | 178 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | L18 V19 V25 A26 | L18-V22 WeakPolarHBondContact O-CB 3.34Å; L18-V22 VanDerWaalsContact O-CG2 3.31Å; L18-V22 WeakPolarHBondContact O-CG2 3.36Å; L18-V22 PolarHBondContact O-N 2.76Å; V19-V22 PolarHBondContact O-N 3.12Å; V22-V25 PolarHBondContact O-N 3.35Å; V22-A26 WeakPolarHBondContact O-CB 3.33Å; V22-A26 PolarHBondContact O-N 3.02Å |
| 23 | A | 95.7 | Very high | 90.2 | Very high | 58 Ų | 58 | 86 Ų | 86 | 48% | 0.479 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V19 V20 I21 A26 A27 | V19-A23 VanDerWaalsContact O-CB 3.26Å; V19-A23 WeakPolarHBondContact O-CB 3.23Å; V19-A23 PolarHBondContact O-N 3.38Å; V20-A23 PolarHBondContact O-N 2.92Å; I21-A23 PolarHBondContact O-N 3.4Å; A23-A26 PolarHBondContact O-N 2.74Å; A23-A27 WeakPolarHBondContact O-CB 3.26Å; A23-A27 PolarHBondContact O-N 3.49Å |
| 24 | A | 96.5 | Very high | 91.5 | Very high | 52 Ų | 52 | 81.6 Ų | 81.6 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.4 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | V20 I21 A26 A27 V28 | V20-A24 WeakPolarHBondContact O-CB 3.43Å; V20-A24 PolarHBondContact O-N 2.77Å; I21-A24 PolarHBondContact O-N 2.93Å; A24-A26 PolarHBondContact O-N 3.1Å; A24-A27 PolarHBondContact O-N 2.86Å; A24-V28 WeakPolarHBondContact O-CG2 3.43Å; A24-V28 PolarHBondContact O-N 2.9Å |
| 25 | V | 97.2 | Very high | 92.5 | Very high | 96 Ų | 96 | 83.5 Ų | 83.5 | 58% | 0.582 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.1 | -43.1 | 175.7 | 171.9 | 0 | 0 | 0 | 0 | 111 | I21 V22 V28 A29 | I21-V25 WeakPolarHBondContact O-CG2 3.33Å; I21-V25 PolarHBondContact O-N 2.87Å; V22-V25 PolarHBondContact O-N 3.35Å; V25-V28 PolarHBondContact O-N 3.07Å; V25-A29 WeakPolarHBondContact O-CB 3.34Å; V25-A29 PolarHBondContact O-N 2.77Å |
| 26 | A | 97.1 | Very high | 93.2 | Very high | 48 Ų | 48 | 84.3 Ų | 84.3 | 40% | 0.397 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V22 A23 A24 A29 L30 | V22-A26 WeakPolarHBondContact O-CB 3.33Å; V22-A26 PolarHBondContact O-N 3.02Å; A23-A26 PolarHBondContact O-N 2.74Å; A24-A26 PolarHBondContact O-N 3.1Å; A26-A29 PolarHBondContact O-N 3.48Å; A26-L30 WeakPolarHBondContact O-CG 3.35Å; A26-L30 PolarHBondContact O-N 2.8Å |
| 27 | A | 97.2 | Very high | 93.2 | Very high | 53 Ų | 53 | 85.4 Ų | 85.4 | 44% | 0.438 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A23 A24 L30 V31 | A23-A27 WeakPolarHBondContact O-CB 3.26Å; A23-A27 PolarHBondContact O-N 3.49Å; A24-A27 PolarHBondContact O-N 2.86Å; A27-L30 PolarHBondContact O-N 3.24Å; A27-V31 WeakPolarHBondContact O-CG2 3.49Å; A27-V31 PolarHBondContact O-N 3.23Å |
| 28 | V | 97.5 | Very high | 92.4 | Very high | 88 Ų | 88 | 84.3 Ų | 84.3 | 53% | 0.533 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 175.2 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | A24 V25 L30 V31 I32 | A24-V28 WeakPolarHBondContact O-CG2 3.43Å; A24-V28 PolarHBondContact O-N 2.9Å; V25-V28 PolarHBondContact O-N 3.07Å; V28-L30 PolarHBondContact O-N 3.5Å; V28-V31 PolarHBondContact O-N 3.09Å; V28-I32 HydrophobicContact CG1-CD1 3.82Å; V28-I32 HydrophobicContact CG1-CG1 4.49Å; V28-I32 WeakPolarHBondContact O-CG1 3.26Å; V28-I32 PolarHBondContact O-N 3.03Å |
| 29 | A | 96.8 | Very high | 91.1 | Very high | 49 Ų | 49 | 83.7 Ų | 83.7 | 41% | 0.405 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.1 | -42.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V25 A26 I32 V33 | V25-A29 WeakPolarHBondContact O-CB 3.34Å; V25-A29 PolarHBondContact O-N 2.77Å; A26-A29 PolarHBondContact O-N 3.48Å; A29-I32 PolarHBondContact O-N 3.14Å; A29-V33 VanDerWaalsContact O-CG2 3.23Å; A29-V33 WeakPolarHBondContact O-CG2 3.47Å; A29-V33 PolarHBondContact O-N 3.48Å |
| 30 | L | 95.8 | Very high | 89.8 | Confident | 123 Ų | 123 | 87.7 Ų | 87.7 | 64% | 0.644 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.8 | -39.5 | 175.5 | -71.6 | 173.3 | 0 | 0 | 0 | 112.5 | A26 A27 V28 V33 S34 | A26-L30 WeakPolarHBondContact O-CG 3.35Å; A26-L30 PolarHBondContact O-N 2.8Å; A27-L30 PolarHBondContact O-N 3.24Å; V28-L30 PolarHBondContact O-N 3.5Å; L30-V33 PolarHBondContact O-N 2.76Å; L30-S34 VanDerWaalsContact O-CB 3.25Å; L30-S34 WeakPolarHBondContact O-CB 3.23Å; L30-S34 PolarHBondContact O-N 2.9Å |
| 31 | V | 95.8 | Very high | 87.8 | Confident | 87 Ų | 87 | 90.7 Ų | 90.7 | 53% | 0.527 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 174 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | A27 V28 S34 L35 | A27-V31 WeakPolarHBondContact O-CG2 3.49Å; A27-V31 PolarHBondContact O-N 3.23Å; V28-V31 PolarHBondContact O-N 3.09Å; V31-S34 PolarHBondContact O-N 3.47Å; V31-L35 HydrophobicContact CG1-CD1 3.83Å; V31-L35 HydrophobicContact CG1-CG 4.38Å; V31-L35 WeakPolarHBondContact O-CB 3.32Å; V31-L35 VanDerWaalsContact O-CG 3.28Å; V31-L35 WeakPolarHBondContact O-CG 3.38Å; V31-L35 PolarHBondContact O-N 2.88Å |
| 32 | I | 95.4 | Very high | 85.9 | Confident | 92 Ų | 92 | 89.5 Ų | 89.5 | 47% | 0.472 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.7 | -48.3 | 176.5 | -67.3 | 165.5 | 0 | 0 | 0 | 110.6 | V28 A29 S34 L35 C36 | V28-I32 HydrophobicContact CG1-CD1 3.82Å; V28-I32 HydrophobicContact CG1-CG1 4.49Å; V28-I32 WeakPolarHBondContact O-CG1 3.26Å; V28-I32 PolarHBondContact O-N 3.03Å; A29-I32 PolarHBondContact O-N 3.14Å; I32-S34 VanDerWaalsContact C-N 3.33Å; I32-S34 PolarHBondContact O-N 2.82Å; I32-L35 PolarHBondContact O-N 2.9Å; I32-C36 WeakPolarHBondContact O-CB 3.39Å; I32-C36 PolarHBondContact O-N 3.46Å; I32-C36 PolarHBondContact O-SG 3.34Å |
| 33 | V | 94.2 | Very high | 84 | Confident | 88 Ų | 88 | 93.7 Ų | 93.7 | 53% | 0.533 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.1 | -41.2 | 177.8 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | A29 L30 C36 T37 | A29-V33 VanDerWaalsContact O-CG2 3.23Å; A29-V33 WeakPolarHBondContact O-CG2 3.47Å; A29-V33 PolarHBondContact O-N 3.48Å; L30-V33 PolarHBondContact O-N 2.76Å; V33-C36 PolarHBondContact O-N 2.94Å; V33-T37 HydrophobicContact CG1-CG2 4.41Å; V33-T37 WeakPolarHBondContact O-CB 3.31Å; V33-T37 WeakPolarHBondContact O-CG2 3.46Å; V33-T37 PolarHBondContact O-N 3.27Å; V33-T37 PolarHBondContact O-OG1 2.97Å |
| 34 | S | 91.8 | Very high | 82 | Confident | 71 Ų | 71 | 98.1 Ų | 98.1 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.6 | -46 | 174.9 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | L30 V31 I32 T37 S38 | L30-S34 VanDerWaalsContact O-CB 3.25Å; L30-S34 WeakPolarHBondContact O-CB 3.23Å; L30-S34 PolarHBondContact O-N 2.9Å; V31-S34 PolarHBondContact O-N 3.47Å; I32-S34 VanDerWaalsContact C-N 3.33Å; I32-S34 PolarHBondContact O-N 2.82Å; S34-T37 PolarHBondContact O-N 3.4Å; S34-T37 PolarHBondContact O-OG1 3.35Å; S34-T37 VanDerWaalsContact O-OG1 3.07Å; S34-S38 WeakPolarHBondContact O-CB 3.32Å; S34-S38 PolarHBondContact O-N 3.45Å |
| 35 | L | 90.8 | Very high | 79.7 | Confident | 113 Ų | 113 | 106.6 Ų | 106.6 | 59% | 0.592 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.3 | -43.3 | 176.9 | -69 | 170.4 | 0 | 0 | 0 | 112.1 | V31 I32 S38 S39 | V31-L35 HydrophobicContact CG1-CD1 3.83Å; V31-L35 HydrophobicContact CG1-CG 4.38Å; V31-L35 WeakPolarHBondContact O-CB 3.32Å; V31-L35 VanDerWaalsContact O-CG 3.28Å; V31-L35 WeakPolarHBondContact O-CG 3.38Å; V31-L35 PolarHBondContact O-N 2.88Å; I32-L35 PolarHBondContact O-N 2.9Å; L35-S38 PolarHBondContact O-N 3.33Å; L35-S39 WeakPolarHBondContact O-CB 3.39Å; L35-S39 PolarHBondContact O-N 3.25Å |
| 36 | C | 89.9 | Confident | 77.5 | Confident | 79 Ų | 79 | 111.1 Ų | 111.1 | 53% | 0.534 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.6 | -40.3 | 177.5 | -71.4 | 0 | 0 | 0 | 0 | 112.4 | I32 V33 S39 | I32-C36 WeakPolarHBondContact O-CB 3.39Å; I32-C36 PolarHBondContact O-N 3.46Å; I32-C36 PolarHBondContact O-SG 3.34Å; V33-C36 PolarHBondContact O-N 2.94Å; C36-S39 PolarHBondContact O-OG 2.95Å |
| 37 | T | 82.5 | Confident | 75.3 | Confident | 97 Ų | 97 | 117 Ų | 117 | 60% | 0.595 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.6 | -43.2 | 176.2 | 50.9 | 0 | 0 | 0 | 0 | 112.4 | V33 S34 S39 | V33-T37 HydrophobicContact CG1-CG2 4.41Å; V33-T37 WeakPolarHBondContact O-CB 3.31Å; V33-T37 WeakPolarHBondContact O-CG2 3.46Å; V33-T37 PolarHBondContact O-N 3.27Å; V33-T37 PolarHBondContact O-OG1 2.97Å; S34-T37 PolarHBondContact O-N 3.4Å; S34-T37 PolarHBondContact O-OG1 3.35Å; S34-T37 VanDerWaalsContact O-OG1 3.07Å; T37-S39 VanDerWaalsContact C-N 3.29Å; T37-S39 PolarHBondContact O-N 3.23Å |
| 38 | S | 68.4 | Low | 73.1 | Confident | 84 Ų | 84 | 122.7 Ų | 122.7 | 59% | 0.587 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -64.4 | -30 | 180 | -175 | 0 | 0 | 0 | 0 | 113.5 | S34 L35 K40 H41 | S34-S38 WeakPolarHBondContact O-CB 3.32Å; S34-S38 PolarHBondContact O-N 3.45Å; L35-S38 PolarHBondContact O-N 3.33Å; S38-K40 PolarHBondContact O-N 3.33Å; S38-H41 PolarHBondContact O-N 2.94Å |
| 39 | S | 61.7 | Low | 71 | Confident | 91 Ų | 91 | 127.4 Ų | 127.4 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -13.8 | -180 | 71.9 | 0 | 0 | 0 | 0 | 115.5 | L35 C36 T37 | L35-S39 WeakPolarHBondContact O-CB 3.39Å; L35-S39 PolarHBondContact O-N 3.25Å; C36-S39 PolarHBondContact O-OG 2.95Å; T37-S39 VanDerWaalsContact C-N 3.29Å; T37-S39 PolarHBondContact O-N 3.23Å |
| 40 | K | 60.5 | Low | 68.9 | Low | 177 Ų | 177 | 133.7 Ų | 133.7 | 77% | 0.77 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 0 | -176.3 | -70.4 | -179.8 | 177.2 | 175.9 | 0 | 116.1 | S38 | S38-K40 PolarHBondContact O-N 3.33Š|
| 41 | H | 50.9 | Low | 66.7 | Low | 160 Ų | 160 | 139.1 Ų | 139.1 | 74% | 0.741 | 70% | 0.703 | S | S | * | * | trans | -135.3 | 32.5 | -177 | -116.4 | -87.6 | 0 | 0 | 0 | 117 | S38 K43 | S38-H41 PolarHBondContact O-N 2.94Å; H41-K43 VanDerWaalsContact C-N 3.3Å; H41-K43 PolarHBondContact O-N 3.39Å | ||
| 42 | G | 53.2 | Low | 64.4 | Low | 72 Ų | 72 | 140.5 Ų | 140.5 | 74% | 0.742 | 72% | 0.716 | S | S | * | * | trans | -74 | 67.4 | 173 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 43 | K | 55.6 | Low | 61.9 | Low | 189 Ų | 189 | 139.2 Ų | 139.2 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 176.4 | 87.1 | 161.6 | -91.5 | 141.8 | -172.3 | 176.6 | 0 | 110.3 | H41 | H41-K43 VanDerWaalsContact C-N 3.3Å; H41-K43 PolarHBondContact O-N 3.39Å |
| 44 | L | 53.2 | Low | 59.6 | Low | 151 Ų | 151 | 140.8 Ų | 140.8 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | trans | 172.7 | 45.2 | 153.9 | -98 | 163 | 0 | 0 | 0 | 113.4 | ||||
| 45 | W | 48 | Very low | 57.3 | Low | 231 Ų | 231 | 143.2 Ų | 143.2 | 88% | 0.875 | 76% | 0.758 | S | S | * | * | trans | -144.9 | 81.3 | 172.6 | -179.6 | -91 | 0 | 0 | 0 | 111.3 | ||||
| 46 | K | 51.7 | Low | 55.2 | Low | 191 Ų | 191 | 145.6 Ų | 145.6 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -164.5 | 16.4 | 154.9 | -119.8 | 178 | -177.7 | -176.3 | 0 | 115 | ||
| 47 | Q | 51.2 | Low | 52.9 | Low | 171 Ų | 171 | 146.9 Ų | 146.9 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -92.5 | -6.9 | -174.5 | -148.1 | 175.3 | 18 | 0 | 0 | 114.4 | ||
| 48 | Q | 50.2 | Low | 50.9 | Low | 172 Ų | 172 | 151 Ų | 151 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -92.3 | -11.3 | -173.6 | -167.9 | 154.3 | -80.6 | 0 | 0 | 115 | ||
| 49 | Q | 53.4 | Low | 49.9 | Very low | 188 Ų | 188 | 154.9 Ų | 154.9 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -106.2 | 9.6 | -171.5 | -148.3 | 166.5 | -1.7 | 0 | 0 | 114.6 | ||
| 50 | Q | 53.7 | Low | 48.8 | Very low | 181 Ų | 181 | 159 Ų | 159 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -121 | 16.7 | -174.8 | -142.8 | 178.8 | -1 | 0 | 0 | 113.9 | ||
| 51 | R | 47.8 | Very low | 48 | Very low | 236 Ų | 236 | 154.2 Ų | 154.2 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -130.1 | 7.1 | -172.6 | -110.3 | -175.4 | 168.9 | -168.8 | -6.1 | 117.1 | ||
| 52 | S | 48.2 | Very low | 47.7 | Very low | 116 Ų | 116 | 154.7 Ų | 154.7 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -112.9 | 112.7 | 177 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 53 | G | 43 | Very low | 47.2 | Very low | 66 Ų | 66 | 159.5 Ų | 159.5 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | trans | 44.1 | 99.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 54 | S | 45.8 | Very low | 46.4 | Very low | 120 Ų | 120 | 155.7 Ų | 155.7 | 84% | 0.839 | 81% | 0.806 | S | S | * | * | 42.7 | 71.7 | 56.2 | 83.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 55 | S | 42.9 | Very low | 45.7 | Very low | 123 Ų | 123 | 153.4 Ų | 153.4 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -169.4 | 127.9 | 142.4 | -79.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 56 | L | 46.9 | Very low | 45.1 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | -69.1 | -179.7 | 166.9 | -86.9 | 159.6 | 0 | 0 | 0 | 111.5 | ||||
| 57 | P | 42.7 | Very low | 44.2 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 70% | 0.695 | 81% | 0.809 | S | S | * | * | cis | -138.1 | 171.9 | 4.9 | 21.5 | 4.9 | 0 | 0 | 0 | 118.2 | ||||
| 58 | Q | 39.4 | Very low | 43.4 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | 38.8 | 130.4 | 142.3 | -68.2 | -174.9 | -22.3 | 0 | 0 | 123.9 | ||||
| 59 | L | 48 | Very low | 42.6 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | -175.5 | 151.2 | 129 | -90.7 | 168.2 | 0 | 0 | 0 | 105.9 | |||||
| 60 | K | 39.7 | Very low | 41.7 | Very low | 178 Ų | 178 | 127.7 Ų | 127.7 | 77% | 0.774 | 81% | 0.812 | S | S | * | * | cis | -160.1 | 178.4 | -19.1 | 177.5 | 164 | 171.2 | 178.4 | 0 | 107.1 | ||||
| 61 | A | 42.3 | Very low | 41.3 | Very low | 75 Ų | 75 | 123.2 Ų | 123.2 | 62% | 0.62 | 81% | 0.807 | S | S | * | * | trans | 79.1 | 109.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 62 | E | 45.4 | Very low | 41.7 | Very low | 171 Ų | 171 | 116 Ų | 116 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | 75.4 | 135.4 | 77.2 | -73.7 | 169.6 | 140.4 | 0 | 0 | 111.7 | |||||
| 63 | E | 42.5 | Very low | 41.9 | Very low | 173 Ų | 173 | 121.2 Ų | 121.2 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | cis | -158.1 | 170.5 | -11.1 | 176.1 | 165.7 | 90.4 | 0 | 0 | 107.8 | ||||
| 64 | S | 39.1 | Very low | 42.4 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | 94.6 | 119.3 | 157.9 | 79.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 65 | A | 38.9 | Very low | 42.6 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | 59.3 | 110.4 | 142.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 66 | G | 34.9 | Very low | 43.2 | Very low | 81 Ų | 81 | 131.5 Ų | 131.5 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | 115.6 | 117.6 | 117.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 67 | G | 33.2 | Very low | 43.7 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 86% | 0.856 | 80% | 0.799 | S | S | * | * | trans | 77.9 | 111.1 | 141.1 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 68 | G | 33.3 | Very low | 44.4 | Very low | 89 Ų | 89 | 130.4 Ų | 130.4 | 92% | 0.918 | 80% | 0.799 | S | S | * | * | trans | -76.4 | 157.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 69 | G | 32.6 | Very low | 45.2 | Very low | 78 Ų | 78 | 127.7 Ų | 127.7 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 165.3 | 23.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | A71 | G69-A71 PolarHBondContact O-N 2.94Å; G69-A71 VanDerWaalsContact O-N 3.16Å | ||
| 70 | G | 36.2 | Very low | 45.7 | Very low | 81 Ų | 81 | 125.1 Ų | 125.1 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -74.2 | 98.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 71 | A | 44.3 | Very low | 46.4 | Very low | 88 Ų | 88 | 122.7 Ų | 122.7 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | 76.2 | 86.8 | 87.9 | 0 | 0 | 0 | 0 | 0 | 114 | G69 | G69-A71 PolarHBondContact O-N 2.94Å; G69-A71 VanDerWaalsContact O-N 3.16Å | |||
| 72 | S | 55.9 | Low | 47.2 | Very low | 84 Ų | 84 | 122.9 Ų | 122.9 | 59% | 0.587 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -114.5 | 119 | 163.6 | -151.3 | 0 | 0 | 0 | 0 | 110 | ||
| 73 | R | 52.8 | Low | 47.7 | Very low | 225 Ų | 225 | 119.6 Ų | 119.6 | 85% | 0.849 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 52 | 79.2 | 163.7 | 34.4 | -177.4 | 174.1 | -95.5 | -3 | 116.7 | ||
| 74 | K | 53 | Low | 48.1 | Very low | 208 Ų | 208 | 114 Ų | 114 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | trans | -158.1 | 3.7 | 160.6 | -107.3 | 160.2 | -163.4 | -177.5 | 0 | 117.1 | ||||
| 75 | Q | 50.8 | Low | 49.1 | Very low | 159 Ų | 159 | 111.6 Ų | 111.6 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -115.6 | 28.2 | -158.2 | -154.5 | 173 | -22.1 | 0 | 0 | 116.5 | ||||
| 76 | L | 56 | Low | 50 | Low | 158 Ų | 158 | 115.4 Ų | 115.4 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -116.2 | 22.3 | -179.1 | -66.2 | -179.5 | 0 | 0 | 0 | 114.8 | ||
| 77 | L | 57.2 | Low | 51.2 | Low | 163 Ų | 163 | 113.6 Ų | 113.6 | 85% | 0.853 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -123.2 | -4.3 | 178.2 | -64.5 | 174.5 | 0 | 0 | 0 | 114.3 | ||
| 78 | A | 56.3 | Low | 52.5 | Low | 84 Ų | 84 | 112.3 Ų | 112.3 | 69% | 0.694 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -97.7 | -9.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 79 | T | 56.8 | Low | 53.8 | Low | 125 Ų | 125 | 110.6 Ų | 110.6 | 77% | 0.767 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -112.2 | 5.2 | -173.6 | 50 | 0 | 0 | 0 | 0 | 114.9 | S81 | T79-S81 VanDerWaalsContact C-N 3.33Š|
| 80 | L | 57.6 | Low | 55.1 | Low | 113 Ų | 113 | 112.7 Ų | 112.7 | 59% | 0.592 | 69% | 0.687 | S | S | * | * | trans | -87.1 | 3.1 | 174.6 | -64.9 | 179.3 | 0 | 0 | 0 | 113.7 | G82 I83 | L80-G82 PolarHBondContact O-N 3.3Å; L80-I83 HydrophobicContact CB-CG2 4.49Å; L80-I83 WeakPolarHBondContact O-CG2 3.43Å; L80-I83 PolarHBondContact O-N 3.49Å; L80-I83 VanDerWaalsContact O-N 3.08Å | ||
| 81 | S | 55.1 | Low | 56.4 | Low | 126 Ų | 126 | 112.4 Ų | 112.4 | 88% | 0.881 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -5.6 | -177 | -146.3 | 0 | 0 | 0 | 0 | 115.3 | T79 | T79-S81 VanDerWaalsContact C-N 3.33Š|
| 82 | G | 59.1 | Low | 57.2 | Low | 79 Ų | 79 | 117 Ų | 117 | 81% | 0.814 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -1.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L80 G84 | L80-G82 PolarHBondContact O-N 3.3Å; G82-G84 PolarHBondContact O-N 2.9Å |
| 83 | I | 55.4 | Low | 57.5 | Low | 102 Ų | 102 | 119.3 Ų | 119.3 | 52% | 0.523 | 68% | 0.683 | S | S | . | * | S | Bend | trans | -87.3 | 92.4 | -176.5 | -153.9 | 143.5 | 0 | 0 | 0 | 110 | L80 A87 | L80-I83 HydrophobicContact CB-CG2 4.49Å; L80-I83 WeakPolarHBondContact O-CG2 3.43Å; L80-I83 PolarHBondContact O-N 3.49Å; L80-I83 VanDerWaalsContact O-N 3.08Å; I83-A87 HydrophobicContact CD1-CB 4.14Å; I83-A87 HydrophobicContact CG1-CB 3.45Å; I83-A87 VanDerWaalsContact CG1-CB 3.45Å |
| 84 | G | 50.7 | Low | 57.8 | Low | 55 Ų | 55 | 114.5 Ų | 114.5 | 57% | 0.567 | 68% | 0.679 | S | S | * | * | trans | -51.8 | 142.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G82 K86 A87 | G82-G84 PolarHBondContact O-N 2.9Å; G84-K86 PolarHBondContact O-N 3.46Å; G84-A87 PolarHBondContact O-N 3.43Å | ||
| 85 | G | 60.1 | Low | 57.8 | Low | 59 Ų | 59 | 109.3 Ų | 109.3 | 61% | 0.608 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -50.3 | -25.2 | -161.8 | 0 | 0 | 0 | 0 | 0 | 117 | A87 A88 A89 | G85-A87 VanDerWaalsContact C-N 3.26Å; G85-A87 PolarHBondContact O-N 3.27Å; G85-A88 PolarHBondContact O-N 2.88Å; G85-A89 PolarHBondContact O-N 3.08Å |
| 86 | K | 58.8 | Low | 57.7 | Low | 184 Ų | 184 | 113.2 Ų | 113.2 | 80% | 0.8 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -51 | -43.6 | 169.1 | -67.4 | -170.1 | 172.8 | -172.4 | 0 | 112.6 | G84 A89 M90 | G84-K86 PolarHBondContact O-N 3.46Å; K86-A89 PolarHBondContact O-N 2.92Å; K86-M90 WeakPolarHBondContact O-CG 3.34Å; K86-M90 PolarHBondContact O-N 3.06Å; K86-M90 VanDerWaalsContact O-N 3.07Å |
| 87 | A | 59.7 | Low | 57.8 | Low | 42 Ų | 42 | 112 Ų | 112 | 35% | 0.347 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -76.8 | -26.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I83 G84 G85 M90 A91 | I83-A87 HydrophobicContact CD1-CB 4.14Å; I83-A87 HydrophobicContact CG1-CB 3.45Å; I83-A87 VanDerWaalsContact CG1-CB 3.45Å; G84-A87 PolarHBondContact O-N 3.43Å; G85-A87 VanDerWaalsContact C-N 3.26Å; G85-A87 PolarHBondContact O-N 3.27Å; A87-M90 PolarHBondContact O-N 2.89Å; A87-A91 PolarHBondContact O-N 2.91Å; A87-A91 VanDerWaalsContact O-N 3.08Å |
| 88 | A | 61.2 | Low | 57.4 | Low | 56 Ų | 56 | 115.1 Ų | 115.1 | 46% | 0.463 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -68 | -38.3 | 169 | 0 | 0 | 0 | 0 | 0 | 111.8 | G85 A91 K92 | G85-A88 PolarHBondContact O-N 2.88Å; A88-A91 PolarHBondContact O-N 3.28Å; A88-K92 PolarHBondContact O-N 2.92Å |
| 89 | A | 60 | Low | 56.9 | Low | 54 Ų | 54 | 121.7 Ų | 121.7 | 45% | 0.446 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -63.2 | -44.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G85 K86 A91 K92 | G85-A89 PolarHBondContact O-N 3.08Å; K86-A89 PolarHBondContact O-N 2.92Å; A89-A91 VanDerWaalsContact C-N 3.28Å; A89-A91 PolarHBondContact O-N 3.43Å; A89-K92 PolarHBondContact O-N 3.47Å; A89-K92 VanDerWaalsContact O-N 3.17Å |
| 90 | M | 59.1 | Low | 56.4 | Low | 122 Ų | 122 | 120.8 Ų | 120.8 | 60% | 0.601 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -61.9 | -33.6 | 176.1 | -62.3 | -58.1 | 163.3 | 0 | 0 | 112.8 | K86 A87 K92 M93 | K86-M90 WeakPolarHBondContact O-CG 3.34Å; K86-M90 PolarHBondContact O-N 3.06Å; K86-M90 VanDerWaalsContact O-N 3.07Å; A87-M90 PolarHBondContact O-N 2.89Å; M90-K92 VanDerWaalsContact C-N 3.29Å; M90-K92 PolarHBondContact O-N 3.42Å; M90-M93 PolarHBondContact O-N 3.47Å; M90-M93 VanDerWaalsContact O-N 3.12Å; M90-M93 HydrophobicContact SD-SD 4.43Å |
| 91 | A | 63.5 | Low | 55.8 | Low | 74 Ų | 74 | 120.3 Ų | 120.3 | 61% | 0.612 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -63.4 | -32 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | A87 A88 A89 M93 | A87-A91 PolarHBondContact O-N 2.91Å; A87-A91 VanDerWaalsContact O-N 3.08Å; A88-A91 PolarHBondContact O-N 3.28Å; A89-A91 VanDerWaalsContact C-N 3.28Å; A89-A91 PolarHBondContact O-N 3.43Å; A91-M93 VanDerWaalsContact C-N 3.33Å |
| 92 | K | 62.6 | Low | 55.3 | Low | 184 Ų | 184 | 125.3 Ų | 125.3 | 80% | 0.8 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -69.1 | -27.4 | 173.6 | -89.4 | -174.9 | 156.6 | 85.6 | 0 | 113 | A88 A89 M90 V94 | A88-K92 PolarHBondContact O-N 2.92Å; A89-K92 PolarHBondContact O-N 3.47Å; A89-K92 VanDerWaalsContact O-N 3.17Å; M90-K92 VanDerWaalsContact C-N 3.29Å; M90-K92 PolarHBondContact O-N 3.42Å; K92-V94 PolarHBondContact O-N 2.9Å |
| 93 | M | 60.7 | Low | 54.8 | Low | 134 Ų | 134 | 130.7 Ų | 130.7 | 66% | 0.66 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -1.4 | -172.1 | -63.6 | -177 | 78.8 | 0 | 0 | 115.3 | M90 A91 | M90-M93 PolarHBondContact O-N 3.47Å; M90-M93 VanDerWaalsContact O-N 3.12Å; M90-M93 HydrophobicContact SD-SD 4.43Å; A91-M93 VanDerWaalsContact C-N 3.33Å |
| 94 | V | 59.3 | Low | 54.2 | Low | 124 Ų | 124 | 128.6 Ų | 128.6 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 1.3 | -175.8 | -172.4 | 0 | 0 | 0 | 0 | 113 | K92 W96 | K92-V94 PolarHBondContact O-N 2.9Å; V94-W96 PolarHBondContact O-N 2.87Å |
| 95 | S | 52.7 | Low | 53.8 | Low | 98 Ų | 98 | 132.1 Ų | 132.1 | 69% | 0.685 | 71% | 0.705 | S | S | * | * | trans | -85.1 | 64.4 | -177.6 | -176.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 96 | W | 48.8 | Very low | 52.9 | Low | 241 Ų | 241 | 134.6 Ų | 134.6 | 91% | 0.913 | 71% | 0.713 | S | S | * | * | trans | -101.2 | 16.7 | 173.2 | -68.2 | -11.7 | 0 | 0 | 0 | 114.4 | V94 | V94-W96 PolarHBondContact O-N 2.87Š| ||
| 97 | N | 58.9 | Low | 52.5 | Low | 134 Ų | 134 | 131.3 Ų | 131.3 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | trans | -137.5 | 79.1 | 177.5 | -176.8 | 27.8 | 0 | 0 | 0 | 113 | ||||
| 98 | R | 48.3 | Very low | 52.3 | Low | 227 Ų | 227 | 135.4 Ų | 135.4 | 86% | 0.857 | 73% | 0.729 | S | S | * | * | trans | -163.7 | 100.8 | 143.7 | -107.8 | 161 | -139.8 | -101.1 | 2.1 | 111.3 | ||||
| 99 | R | 46.6 | Very low | 52.3 | Low | 222 Ų | 222 | 140.7 Ų | 140.7 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | trans | 19 | 116.7 | 143 | -60.1 | 173.6 | -170.2 | -96.2 | -3.4 | 116.8 | ||||
| 100 | S | 47.2 | Very low | 52.1 | Low | 106 Ų | 106 | 145.3 Ų | 145.3 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | 30 | 141.2 | 132.7 | 63.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 101 | S | 45.1 | Very low | 52.1 | Low | 104 Ų | 104 | 147.6 Ų | 147.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 84.9 | 99.7 | 159.7 | 81.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 102 | R | 44.5 | Very low | 51.7 | Low | 230 Ų | 230 | 153.8 Ų | 153.8 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | 58 | 150.4 | 126.4 | -62.6 | 176.7 | -179 | -108 | 0.6 | 119.5 | |||||
| 103 | Q | 47.7 | Very low | 51.4 | Low | 192 Ų | 192 | 149.6 Ų | 149.6 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | 65.1 | 138 | -175.9 | -109.6 | 70.4 | 23.6 | 0 | 0 | 113.1 | ||||
| 104 | G | 43.3 | Very low | 50.7 | Low | 59 Ų | 59 | 147.5 Ų | 147.5 | 61% | 0.608 | 81% | 0.81 | S | S | * | * | cis | 166.8 | 166.4 | 0.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 105 | C | 41.1 | Very low | 50 | Low | 128 Ų | 128 | 145 Ų | 145 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | trans | 53.4 | 125.2 | -177.6 | 65.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 106 | S | 41.4 | Very low | 49.7 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | cis | 70 | 104.5 | 38.7 | -156.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 107 | S | 51.2 | Low | 49.7 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -155.2 | 128.6 | 146.4 | -165.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 108 | D | 55.3 | Low | 49.5 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 69% | 0.69 | 82% | 0.817 | S | S | * | * | trans | -71.7 | 156.4 | 172.4 | -50.4 | -77.7 | 0 | 0 | 0 | 110.9 | ||||
| 109 | D | 60.3 | Low | 49.9 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | trans | -164.5 | 107.2 | 150.1 | -92.5 | -42.1 | 0 | 0 | 0 | 106.6 | ||||
| 110 | D | 56.8 | Low | 50.5 | Low | 152 Ų | 152 | 126.5 Ų | 126.5 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | -74 | 136 | 175.8 | -64.8 | -80.1 | 0 | 0 | 0 | 111.1 | ||||
| 111 | D | 58.5 | Low | 51.3 | Low | 170 Ų | 170 | 130 Ų | 130 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | trans | -150.7 | 103.3 | 157.7 | -107.8 | -38.4 | 0 | 0 | 0 | 110.5 | A113 | D111-A113 PolarHBondContact O-N 3.35Š| ||
| 112 | E | 56 | Low | 52.1 | Low | 203 Ų | 203 | 133.4 Ų | 133.4 | 95% | 0.949 | 82% | 0.818 | S | S | * | * | trans | -84.5 | 107.1 | -176.1 | -178.2 | 145.4 | 111.7 | 0 | 0 | 111.3 | ||||
| 113 | A | 55.4 | Low | 53.3 | Low | 96 Ų | 96 | 129.8 Ų | 129.8 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | -143.6 | 96.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D111 | D111-A113 PolarHBondContact O-N 3.35Š| ||
| 114 | G | 46 | Very low | 54.6 | Low | 90 Ų | 90 | 125.6 Ų | 125.6 | 93% | 0.928 | 79% | 0.791 | S | S | * | * | trans | -63.4 | 132.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 115 | G | 45.4 | Very low | 56.3 | Low | 71 Ų | 71 | 124.7 Ų | 124.7 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | -158.5 | 110.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | G117 | G115-G117 PolarHBondContact O-N 3.49Š| ||
| 116 | G | 45.1 | Very low | 58.2 | Low | 88 Ų | 88 | 124.8 Ų | 124.8 | 91% | 0.907 | 77% | 0.769 | S | S | * | * | trans | -59.9 | 101.1 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 117 | G | 49.6 | Very low | 60.3 | Low | 71 Ų | 71 | 128.6 Ų | 128.6 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | trans | -78.7 | 120.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109 | G115 A119 | G115-G117 PolarHBondContact O-N 3.49Å; G117-A119 PolarHBondContact O-N 3.36Å | ||
| 118 | L | 55.2 | Low | 61.6 | Low | 159 Ų | 159 | 129.7 Ų | 129.7 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | trans | -51.5 | 135 | 177 | -71.6 | 105 | 0 | 0 | 0 | 110.4 | V120 | L118-V120 PolarHBondContact O-N 2.98Š| ||
| 119 | A | 55.3 | Low | 63 | Low | 99 Ų | 99 | 127.6 Ų | 127.6 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -66.4 | 75.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | G117 E121 | G117-A119 PolarHBondContact O-N 3.36Å; A119-E121 VanDerWaalsContact C-N 3.32Å; A119-E121 PolarHBondContact O-N 2.96Å; A119-E121 VanDerWaalsContact O-N 3.1Å | ||
| 120 | V | 60.7 | Low | 64.2 | Low | 118 Ų | 118 | 126.2 Ų | 126.2 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | trans | -61.6 | 105.7 | 151.2 | 177.9 | 0 | 0 | 0 | 0 | 103.9 | L118 E122 | L118-V120 PolarHBondContact O-N 2.98Å; V120-E122 PolarHBondContact O-N 3.34Å | ||
| 121 | E | 62.7 | Low | 65.4 | Low | 178 Ų | 178 | 126 Ų | 126 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | trans | -53.5 | 112.3 | 166.6 | -64.2 | -164.7 | 149 | 0 | 0 | 106.2 | A119 E123 | A119-E121 VanDerWaalsContact C-N 3.32Å; A119-E121 PolarHBondContact O-N 2.96Å; A119-E121 VanDerWaalsContact O-N 3.1Å; E121-E123 PolarHBondContact O-N 3.39Å | ||
| 122 | E | 63.3 | Low | 66.6 | Low | 176 Ų | 176 | 126.3 Ų | 126.3 | 82% | 0.822 | 73% | 0.732 | S | S | * | * | trans | -64.2 | 94.3 | 174.9 | -76.9 | -162.8 | 134.2 | 0 | 0 | 106.3 | V120 E124 | V120-E122 PolarHBondContact O-N 3.34Å; E122-E124 PolarHBondContact O-N 2.83Å | ||
| 123 | E | 68.7 | Low | 68 | Low | 154 Ų | 154 | 125.3 Ų | 125.3 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | trans | -60.7 | 97.1 | 172.9 | -167.6 | -163.6 | 163.5 | 0 | 0 | 106.7 | E121 A125 K129 | E121-E123 PolarHBondContact O-N 3.39Å; E123-A125 PolarHBondContact O-N 3.3Å; E123-K129 IonicContact OE1-NZ 3.96Å | ||
| 124 | E | 76 | Confident | 69.6 | Low | 104 Ų | 104 | 124 Ų | 124 | 49% | 0.486 | 73% | 0.725 | S | S | . | * | trans | -56 | 114.2 | -168.7 | 177.7 | 166.6 | -145.9 | 0 | 0 | 108.6 | E122 L126 R128 K129 | E122-E124 PolarHBondContact O-N 2.83Å; E124-L126 PolarHBondContact O-N 3.22Å; E124-R128 HydrophobicContact CG-CB 3.75Å; E124-R128 HydrophobicContact CG-CG 4.45Å; E124-K129 WeakPolarHBondContact O-CE 3.42Å; E124-K129 PolarHBondContact O-NZ 3.32Å | ||
| 125 | A | 79.2 | Confident | 71.6 | Confident | 40 Ų | 40 | 127.3 Ų | 127.3 | 33% | 0.331 | 72% | 0.722 | S | S | . | * | trans | -52.5 | 130.4 | -164.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | E123 W127 R128 | E123-A125 PolarHBondContact O-N 3.3Å; A125-W127 VanDerWaalsContact CB-NE1 3.31Å; A125-W127 PolarHBondContact O-N 3.32Å; A125-R128 WeakPolarHBondContact O-CB 3.39Å; A125-R128 PolarHBondContact O-N 2.94Å | ||
| 126 | L | 80.8 | Confident | 73.6 | Confident | 130 Ų | 130 | 133.1 Ų | 133.1 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.6 | -25.1 | -163.8 | -70.8 | 149.6 | 0 | 0 | 0 | 115.4 | E124 K129 | E124-L126 PolarHBondContact O-N 3.22Å; L126-K129 HydrophobicContact CD2-CD 4.13Å; L126-K129 PolarHBondContact O-N 2.83Å |
| 127 | W | 83.8 | Confident | 75.5 | Confident | 193 Ų | 193 | 135 Ų | 135 | 73% | 0.731 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -15 | 176 | 62.9 | -93.5 | 0 | 0 | 0 | 115.2 | A125 | A125-W127 VanDerWaalsContact CB-NE1 3.31Å; A125-W127 PolarHBondContact O-N 3.32Å |
| 128 | R | 80 | Confident | 77.1 | Confident | 137 Ų | 137 | 142.7 Ų | 142.7 | 52% | 0.517 | 73% | 0.731 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.4 | -23.5 | 171.6 | -65.8 | -177.1 | 176.6 | -178 | 2.7 | 112.5 | E124 A125 T130 | E124-R128 HydrophobicContact CG-CB 3.75Å; E124-R128 HydrophobicContact CG-CG 4.45Å; A125-R128 WeakPolarHBondContact O-CB 3.39Å; A125-R128 PolarHBondContact O-N 2.94Å; R128-T130 PolarHBondContact O-N 3.26Å |
| 129 | K | 84 | Confident | 78.4 | Confident | 85 Ų | 85 | 140.1 Ų | 140.1 | 37% | 0.37 | 72% | 0.724 | S | S | . | * | S | Bend | trans | -63.7 | 129.7 | 177.8 | -66.1 | 173.9 | 179.9 | 157.5 | 0 | 108.9 | E123 E124 L126 I131 | E123-K129 IonicContact OE1-NZ 3.96Å; E124-K129 WeakPolarHBondContact O-CE 3.42Å; E124-K129 PolarHBondContact O-NZ 3.32Å; L126-K129 HydrophobicContact CD2-CD 4.13Å; L126-K129 PolarHBondContact O-N 2.83Å; K129-I131 PolarHBondContact O-N 2.87Å |
| 130 | T | 85.5 | Confident | 79.5 | Confident | 137 Ų | 137 | 142.8 Ų | 142.8 | 84% | 0.84 | 72% | 0.724 | S | S | * | * | trans | -55.5 | 111.3 | 179.6 | -56.8 | 0 | 0 | 0 | 0 | 110.6 | R128 M132 | R128-T130 PolarHBondContact O-N 3.26Å; T130-M132 PolarHBondContact O-N 2.81Å; T130-M132 VanDerWaalsContact O-N 3.14Å | ||
| 131 | I | 82.2 | Confident | 80.1 | Confident | 147 Ų | 147 | 145.7 Ų | 145.7 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | -66.8 | 114.6 | 173.4 | -58.9 | 176.7 | 0 | 0 | 0 | 107.5 | K129 M133 | K129-I131 PolarHBondContact O-N 2.87Å; I131-M133 PolarHBondContact O-N 3.3Å; I131-M133 VanDerWaalsContact O-N 3.09Å | ||
| 132 | M | 84.7 | Confident | 80.6 | Confident | 177 Ų | 177 | 143 Ų | 143 | 87% | 0.872 | 72% | 0.716 | S | S | * | * | trans | -59.3 | 114.8 | 170.9 | -73.2 | 177 | 58.3 | 0 | 0 | 108.8 | T130 G134 | T130-M132 PolarHBondContact O-N 2.81Å; T130-M132 VanDerWaalsContact O-N 3.14Å; M132-G134 PolarHBondContact O-N 2.91Å | ||
| 133 | M | 85 | Confident | 81 | Confident | 181 Ų | 181 | 140.9 Ų | 140.9 | 89% | 0.892 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 120.6 | 171.6 | -60.8 | -161.5 | -52.3 | 0 | 0 | 108.5 | I131 | I131-M133 PolarHBondContact O-N 3.3Å; I131-M133 VanDerWaalsContact O-N 3.09Å |
| 134 | G | 89.5 | Confident | 81.3 | Confident | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -66 | 173.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M132 | M132-G134 PolarHBondContact O-N 2.91Š|
| 135 | D | 87.7 | Confident | 81.3 | Confident | 159 Ų | 159 | 136.6 Ų | 136.6 | 85% | 0.85 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -57 | 155.3 | 172 | -85.4 | -47.4 | 0 | 0 | 0 | 112.3 | C137 | D135-C137 PolarHBondContact O-N 2.99Å; D135-C137 VanDerWaalsContact O-N 3.08Å |
| 136 | K | 86.4 | Confident | 81.5 | Confident | 192 Ų | 192 | 138.1 Ų | 138.1 | 84% | 0.835 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -54 | 118.7 | 170.9 | -75.3 | 178 | -73.9 | -68.6 | 0 | 109 | R138 | K136-R138 PolarHBondContact O-N 3Š|
| 137 | C | 84.9 | Confident | 81.6 | Confident | 127 Ų | 127 | 133 Ų | 133 | 86% | 0.858 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 117.4 | 174.6 | -56.5 | 0 | 0 | 0 | 0 | 109.1 | D135 | D135-C137 PolarHBondContact O-N 2.99Å; D135-C137 VanDerWaalsContact O-N 3.08Å |
| 138 | R | 83.5 | Confident | 81.9 | Confident | 233 Ų | 233 | 130.6 Ų | 130.6 | 88% | 0.879 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 137.3 | 172.4 | -65.3 | -176 | -176.9 | 174.1 | 2.4 | 107.9 | K136 L140 | K136-R138 PolarHBondContact O-N 3Å; R138-L140 PolarHBondContact O-N 3.29Å |
| 139 | P | 82.9 | Confident | 82.5 | Confident | 106 Ų | 106 | 126.6 Ų | 126.6 | 69% | 0.688 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -51 | 135.8 | 168.7 | -25.6 | 34.5 | 0 | 0 | 0 | 109.6 | Q141 | P139-Q141 PolarHBondContact O-N 2.97Š|
| 140 | L | 78.3 | Confident | 82.9 | Confident | 155 Ų | 155 | 128.2 Ų | 128.2 | 81% | 0.812 | 69% | 0.691 | S | S | * | * | trans | -60.6 | 110.2 | 179.4 | -177.9 | 65.6 | 0 | 0 | 0 | 108.6 | R138 F142 | R138-L140 PolarHBondContact O-N 3.29Å; L140-F142 HydrophobicContact CD2-CB 4.42Å; L140-F142 HydrophobicContact CG-CB 4.28Å; L140-F142 PolarHBondContact O-N 2.59Å | ||
| 141 | Q | 72.8 | Confident | 83.3 | Confident | 179 Ų | 179 | 128 Ų | 128 | 84% | 0.836 | 69% | 0.685 | S | S | * | * | trans | -74 | 70.7 | 174.6 | -72.9 | -70.3 | -19 | 0 | 0 | 109 | P139 S143 | P139-Q141 PolarHBondContact O-N 2.97Å; Q141-S143 PolarHBondContact O-N 3.24Å | ||
| 142 | F | 74.4 | Confident | 83.7 | Confident | 121 Ų | 121 | 123.4 Ų | 123.4 | 53% | 0.531 | 67% | 0.674 | S | S | . | * | trans | -82.1 | 106.7 | 176.3 | -169.6 | -103.4 | 0 | 0 | 0 | 108.9 | L140 G144 I146 | L140-F142 HydrophobicContact CD2-CB 4.42Å; L140-F142 HydrophobicContact CG-CB 4.28Å; L140-F142 PolarHBondContact O-N 2.59Å; F142-G144 WeakPolarHBondContact CD1-O 3.23Å; F142-G144 VanDerWaalsContact CE1-CA 3.45Å; F142-G144 WeakPolarHBondContact CE1-O 3.41Å; F142-G144 PolarHBondContact O-N 3.36Å; F142-I146 HydrophobicContact CD1-CG1 4.37Å; F142-I146 HydrophobicContact CE1-CD1 3.77Å; F142-I146 HydrophobicContact CE1-CG1 3.43Å; F142-I146 VanDerWaalsContact CE1-CG1 3.43Å; F142-I146 HydrophobicContact CZ-CD1 3.84Å; F142-I146 HydrophobicContact CZ-CG1 3.84Å | ||
| 143 | S | 70.4 | Confident | 83.9 | Confident | 132 Ų | 132 | 119.4 Ų | 119.4 | 92% | 0.923 | 66% | 0.656 | S | S | * | * | trans | -77.4 | 5.7 | -176.9 | 52.2 | 0 | 0 | 0 | 0 | 114.5 | Q141 | Q141-S143 PolarHBondContact O-N 3.24Š| ||
| 144 | G | 75.4 | Confident | 84.1 | Confident | 38 Ų | 38 | 117 Ų | 117 | 39% | 0.392 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -108.2 | 151.3 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | F142 | F142-G144 WeakPolarHBondContact CD1-O 3.23Å; F142-G144 VanDerWaalsContact CE1-CA 3.45Å; F142-G144 WeakPolarHBondContact CE1-O 3.41Å; F142-G144 PolarHBondContact O-N 3.36Å |
| 145 | H | 76.7 | Confident | 83.9 | Confident | 130 Ų | 130 | 117.4 Ų | 117.4 | 60% | 0.602 | 63% | 0.628 | S | S | * | * | trans | -89 | 124.4 | 156.9 | -178.5 | 68.6 | 0 | 0 | 0 | 107.8 | ||||
| 146 | I | 82.3 | Confident | 83.6 | Confident | 71 Ų | 71 | 114.3 Ų | 114.3 | 36% | 0.364 | 62% | 0.617 | S | S | . | * | trans | -98 | 104.6 | 168.7 | -48.8 | -173.7 | 0 | 0 | 0 | 107.2 | F142 Y148 Q154 | F142-I146 HydrophobicContact CD1-CG1 4.37Å; F142-I146 HydrophobicContact CE1-CD1 3.77Å; F142-I146 HydrophobicContact CE1-CG1 3.43Å; F142-I146 VanDerWaalsContact CE1-CG1 3.43Å; F142-I146 HydrophobicContact CZ-CD1 3.84Å; F142-I146 HydrophobicContact CZ-CG1 3.84Å; I146-Y148 HydrophobicContact CB-CE2 4.34Å; I146-Y148 HydrophobicContact CG2-CD2 4.11Å; I146-Y148 HydrophobicContact CG2-CE2 3.39Å; I146-Q154 HydrophobicContact CG2-CG 3.96Å | ||
| 147 | A | 83.4 | Confident | 82.9 | Confident | 24 Ų | 24 | 109.7 Ų | 109.7 | 20% | 0.198 | 61% | 0.614 | C | S | . | * | trans | -93 | 150.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | L155 | A147-L155 HydrophobicContact CB-CB 3.97Å; A147-L155 HydrophobicContact CB-CD1 4.03Å; A147-L155 PolarHBondContact O-N 3.29Å | ||
| 148 | Y | 90.9 | Very high | 81.8 | Confident | 141 Ų | 141 | 108.6 Ų | 108.6 | 55% | 0.553 | 60% | 0.604 | S | S | * | * | B | Isolated β-bridge | trans | -126.5 | 149.7 | 171.5 | -68 | -89.3 | 0 | 0 | 0 | 108.8 | I146 G152 N153 Q154 | I146-Y148 HydrophobicContact CB-CE2 4.34Å; I146-Y148 HydrophobicContact CG2-CD2 4.11Å; I146-Y148 HydrophobicContact CG2-CE2 3.39Å; Y148-G152 WeakPolarHBondContact CD1-O 3.33Å; Y148-N153 CarbonylContact C-O 3.57Å; Y148-N153 VanDerWaalsContact CA-O 3.23Å; Y148-N153 WeakPolarHBondContact CA-O 3.31Å; Y148-Q154 HydrophobicContact CD1-CB 4.25Å; Y148-Q154 HydrophobicContact CE1-CB 3.97Å; Y148-Q154 HydrophobicContact CE1-CG 4.44Å |
| 149 | D | 90.9 | Very high | 80.3 | Confident | 53 Ų | 53 | 102.9 Ų | 102.9 | 28% | 0.283 | 60% | 0.595 | S | S | . | * | trans | -77.7 | 178.8 | 167.6 | 66.2 | 19.7 | 0 | 0 | 0 | 111.4 | D151 G152 N153 L155 | D149-D151 PolarHBondContact O-N 3.49Å; D149-D151 WeakPolarHBondContact OD1-CA 3.17Å; D149-D151 PolarHBondContact OD1-N 2.84Å; D149-G152 PolarHBondContact O-N 3.49Å; D149-G152 PolarHBondContact OD1-N 3.37Å; D149-N153 PolarHBondContact N-O 3.47Å; D149-N153 PolarHBondContact OD1-N 3.17Å; D149-N153 PolarHBondContact OD1-ND2 3.33Å; D149-N153 WeakPolarHBondContact OD2-CB 3.06Å; D149-N153 PolarHBondContact OD2-ND2 3.45Å; D149-L155 HydrophobicContact CB-CD2 4.15Å; D149-L155 HydrophobicContact CB-CG 4.3Å | ||
| 150 | S | 93.4 | Very high | 78.9 | Confident | 119 Ų | 119 | 103.3 Ų | 103.3 | 83% | 0.832 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -18.4 | 177.1 | 48.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 151 | D | 93.6 | Very high | 77.5 | Confident | 132 Ų | 132 | 101.3 Ų | 101.3 | 71% | 0.706 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | -3.7 | -177.3 | -56.8 | -41.1 | 0 | 0 | 0 | 111.9 | D149 | D149-D151 PolarHBondContact O-N 3.49Å; D149-D151 WeakPolarHBondContact OD1-CA 3.17Å; D149-D151 PolarHBondContact OD1-N 2.84Å |
| 152 | G | 91.4 | Very high | 76.3 | Confident | 51 Ų | 51 | 101 Ų | 101 | 53% | 0.526 | 59% | 0.585 | S | S | . | * | S | Bend | trans | 90 | 9.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y148 D149 | Y148-G152 WeakPolarHBondContact CD1-O 3.33Å; D149-G152 PolarHBondContact O-N 3.49Å; D149-G152 PolarHBondContact OD1-N 3.37Å |
| 153 | N | 88.7 | Confident | 75.1 | Confident | 93 Ų | 93 | 103 Ų | 103 | 50% | 0.497 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -80.5 | 140.6 | 174.9 | -45.9 | -70.6 | 0 | 0 | 0 | 110.4 | Y148 D149 L155 | Y148-N153 CarbonylContact C-O 3.57Å; Y148-N153 VanDerWaalsContact CA-O 3.23Å; Y148-N153 WeakPolarHBondContact CA-O 3.31Å; D149-N153 PolarHBondContact N-O 3.47Å; D149-N153 PolarHBondContact OD1-N 3.17Å; D149-N153 PolarHBondContact OD1-ND2 3.33Å; D149-N153 WeakPolarHBondContact OD2-CB 3.06Å; D149-N153 PolarHBondContact OD2-ND2 3.45Å; N153-L155 PolarHBondContact O-N 2.89Å |
| 154 | Q | 89 | Confident | 74.2 | Confident | 130 Ų | 130 | 100 Ų | 100 | 61% | 0.607 | 58% | 0.579 | S | S | * | * | B | Isolated β-bridge | trans | -70.6 | 118.5 | 177.4 | -172.9 | 176.9 | 6.6 | 0 | 0 | 110.1 | I146 Y148 | I146-Q154 HydrophobicContact CG2-CG 3.96Å; Y148-Q154 HydrophobicContact CD1-CB 4.25Å; Y148-Q154 HydrophobicContact CE1-CB 3.97Å; Y148-Q154 HydrophobicContact CE1-CG 4.44Å |
| 155 | L | 85.6 | Confident | 73 | Confident | 79 Ų | 79 | 102.3 Ų | 102.3 | 41% | 0.414 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -72.2 | 139.1 | 175.4 | -70.6 | 171.9 | 0 | 0 | 0 | 109.7 | A147 D149 N153 | A147-L155 HydrophobicContact CB-CB 3.97Å; A147-L155 HydrophobicContact CB-CD1 4.03Å; A147-L155 PolarHBondContact O-N 3.29Å; D149-L155 HydrophobicContact CB-CD2 4.15Å; D149-L155 HydrophobicContact CB-CG 4.3Å; N153-L155 PolarHBondContact O-N 2.89Å |
| 156 | P | 80.9 | Confident | 71.7 | Confident | 95 Ų | 95 | 101.4 Ų | 101.4 | 62% | 0.617 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 148.6 | 175.3 | 26.2 | -33.5 | 0 | 0 | 0 | 110.2 | T158 | P156-T158 HydrophobicContact CG-CG2 4.28Å; P156-T158 PolarHBondContact O-N 3.31Å |
| 157 | A | 72.5 | Confident | 70.4 | Confident | 95 Ų | 95 | 100.9 Ų | 100.9 | 79% | 0.785 | 60% | 0.601 | S | S | * | * | trans | -73 | 62.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 158 | T | 60.5 | Low | 69 | Low | 103 Ų | 103 | 105.9 Ų | 105.9 | 63% | 0.632 | 62% | 0.624 | S | S | * | * | trans | -70.4 | 140.9 | 171.2 | 53.1 | 0 | 0 | 0 | 0 | 109.4 | P156 I160 | P156-T158 HydrophobicContact CG-CG2 4.28Å; P156-T158 PolarHBondContact O-N 3.31Å; T158-I160 WeakPolarHBondContact O-CG1 3.34Å; T158-I160 PolarHBondContact O-N 3.48Å | ||
| 159 | T | 51.3 | Low | 67.2 | Low | 113 Ų | 113 | 101.9 Ų | 101.9 | 69% | 0.693 | 62% | 0.62 | S | S | * | * | trans | -67.6 | 86.7 | -169.7 | 50.2 | 0 | 0 | 0 | 0 | 112.7 | S161 | T159-S161 PolarHBondContact O-N 2.75Š| ||
| 160 | I | 55.5 | Low | 65.6 | Low | 115 Ų | 115 | 104 Ų | 104 | 59% | 0.59 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | -9.9 | 174.3 | -32.6 | -177.5 | 0 | 0 | 0 | 111.8 | T158 K162 | T158-I160 WeakPolarHBondContact O-CG1 3.34Å; T158-I160 PolarHBondContact O-N 3.48Å; I160-K162 VanDerWaalsContact C-N 3.28Å; I160-K162 PolarHBondContact O-N 3.32Å |
| 161 | S | 47.7 | Very low | 63.9 | Low | 113 Ų | 113 | 105 Ų | 105 | 79% | 0.79 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | 11.3 | -177.6 | 51.2 | 0 | 0 | 0 | 0 | 116.4 | T159 | T159-S161 PolarHBondContact O-N 2.75Š|
| 162 | K | 48.9 | Very low | 62.1 | Low | 173 Ų | 173 | 104.7 Ų | 104.7 | 75% | 0.752 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135 | -25.7 | 176.4 | -162.4 | 162.8 | -177.1 | 174.1 | 0 | 117 | I160 | I160-K162 VanDerWaalsContact C-N 3.28Å; I160-K162 PolarHBondContact O-N 3.32Å |
| 163 | E | 47.4 | Very low | 60.8 | Low | 163 Ų | 163 | 108.5 Ų | 108.5 | 76% | 0.762 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -27.6 | -173.2 | -148.7 | 146.5 | 159.6 | 0 | 0 | 113.8 | A165 N166 A167 | E163-A165 PolarHBondContact O-N 3.38Å; E163-N166 PolarHBondContact O-N 3.04Å; E163-N166 VanDerWaalsContact O-N 3.09Å; E163-A167 PolarHBondContact O-N 2.83Å |
| 164 | A | 51.9 | Low | 58.7 | Low | 68 Ų | 68 | 114.2 Ų | 114.2 | 56% | 0.562 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -60.5 | -24.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | N166 | A164-N166 VanDerWaalsContact C-N 3.27Å; A164-N166 PolarHBondContact O-N 3.2Å |
| 165 | A | 50.8 | Low | 56.9 | Low | 87 Ų | 87 | 117.2 Ų | 117.2 | 72% | 0.719 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -75.7 | -9.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E163 | E163-A165 PolarHBondContact O-N 3.38Å |
| 166 | N | 49.1 | Very low | 55.5 | Low | 112 Ų | 112 | 119.2 Ų | 119.2 | 60% | 0.599 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -108.2 | -23.3 | 179.2 | -160.5 | 20.5 | 0 | 0 | 0 | 112.7 | E163 A164 D168 A169 | E163-N166 PolarHBondContact O-N 3.04Å; E163-N166 VanDerWaalsContact O-N 3.09Å; A164-N166 VanDerWaalsContact C-N 3.27Å; A164-N166 PolarHBondContact O-N 3.2Å; N166-D168 PolarHBondContact O-N 3.46Å; N166-A169 WeakPolarHBondContact O-CB 3.49Å; N166-A169 PolarHBondContact O-N 3.48Å |
| 167 | A | 54.5 | Low | 54.2 | Low | 60 Ų | 60 | 120.4 Ų | 120.4 | 50% | 0.496 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -64.6 | -37.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E163 A169 V170 | E163-A167 PolarHBondContact O-N 2.83Å; A167-A169 PolarHBondContact O-N 3.18Å; A167-V170 PolarHBondContact O-N 3.06Å |
| 168 | D | 54.1 | Low | 53.2 | Low | 128 Ų | 128 | 121.8 Ų | 121.8 | 68% | 0.684 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -68.4 | -20.5 | 178.2 | -71.9 | -26.4 | 0 | 0 | 0 | 113.4 | N166 V170 | N166-D168 PolarHBondContact O-N 3.46Å; D168-V170 VanDerWaalsContact C-N 3.34Å |
| 169 | A | 53.1 | Low | 52.7 | Low | 57 Ų | 57 | 122.9 Ų | 122.9 | 47% | 0.471 | 70% | 0.695 | S | S | . | * | H | α-helix | trans | -71.6 | -28.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N166 A167 | N166-A169 WeakPolarHBondContact O-CB 3.49Å; N166-A169 PolarHBondContact O-N 3.48Å; A167-A169 PolarHBondContact O-N 3.18Å |
| 170 | V | 58.6 | Low | 52.8 | Low | 99 Ų | 99 | 123.6 Ų | 123.6 | 60% | 0.6 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -78.4 | -29.1 | -176.4 | -163.8 | 0 | 0 | 0 | 0 | 111.6 | A167 D168 N172 | A167-V170 PolarHBondContact O-N 3.06Å; D168-V170 VanDerWaalsContact C-N 3.34Å; V170-N172 VanDerWaalsContact C-N 3.31Å; V170-N172 PolarHBondContact O-N 3.09Å |
| 171 | N | 57.6 | Low | 52.6 | Low | 140 Ų | 140 | 124.1 Ų | 124.1 | 75% | 0.749 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -78.3 | -10.4 | 179.5 | -107.4 | -18.3 | 0 | 0 | 0 | 114.2 | ||
| 172 | N | 54.7 | Low | 53 | Low | 125 Ų | 125 | 124.9 Ų | 124.9 | 67% | 0.668 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -99.1 | 17.2 | 178 | -158 | 43.7 | 0 | 0 | 0 | 113.5 | V170 | V170-N172 VanDerWaalsContact C-N 3.31Å; V170-N172 PolarHBondContact O-N 3.09Å |
| 173 | I | 64.5 | Low | 53.3 | Low | 130 Ų | 130 | 121.2 Ų | 121.2 | 67% | 0.667 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -95.2 | -4.5 | 173.8 | -62.3 | 176.2 | 0 | 0 | 0 | 111.2 | ||
| 174 | Y | 44.8 | Very low | 53.8 | Low | 214 Ų | 214 | 117.8 Ų | 117.8 | 84% | 0.839 | 69% | 0.685 | S | S | * | * | trans | -121.8 | 61 | 178.1 | -84.1 | -87.6 | 0 | 0 | 0 | 112.5 | ||||
| 175 | V | 51.9 | Low | 54 | Low | 193 Ų | 193 | 122.3 Ų | 122.3 | 100% | 1.17 | 70% | 0.697 | S | S | * | * | trans | -140.7 | 0 | 158.6 | -175.8 | 0 | 0 | 0 | 0 | 109 |
Retrieved 175 of 175 residues in 409.6 ms
(Link to these results)