| 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 | 55.8 | Low | 78.1 | Confident | 229 Ų | 229 | 117 Ų | 117 | 100% | 1.128 | 65% | 0.646 | S | S | * | * | 0 | 9.3 | 0 | -63.7 | -178.3 | 116.7 | 0 | 0 | 112.6 | |||||
| 2 | S | 64.2 | Low | 79.1 | Confident | 86 Ų | 86 | 114.3 Ų | 114.3 | 60% | 0.601 | 64% | 0.636 | S | S | * | * | trans | -85.8 | -27.7 | -171.5 | -49 | 0 | 0 | 0 | 0 | 114.8 | S4 S5 Q6 | S2-S4 VanDerWaalsContact C-N 3.34Å; S2-S4 PolarHBondContact O-N 3.41Å; S2-S5 PolarHBondContact O-N 3.32Å; S2-Q6 PolarHBondContact O-N 3.37Å | ||
| 3 | D | 70.2 | Confident | 80 | Confident | 127 Ų | 127 | 109.9 Ų | 109.9 | 68% | 0.679 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.6 | -35.4 | -178.2 | -68.3 | -77.4 | 0 | 0 | 0 | 113.9 | S5 Q6 M7 | D3-S5 VanDerWaalsContact C-N 3.29Å; D3-S5 PolarHBondContact O-N 3.12Å; D3-Q6 PolarHBondContact O-N 3.01Å; D3-M7 PolarHBondContact O-N 3.27Å; D3-M7 VanDerWaalsContact O-N 3.12Å |
| 4 | S | 75.5 | Confident | 80.8 | Confident | 98 Ų | 98 | 108.6 Ų | 108.6 | 69% | 0.685 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.5 | -30.4 | -178.2 | -168.7 | 0 | 0 | 0 | 0 | 112.5 | S2 A8 | S2-S4 VanDerWaalsContact C-N 3.34Å; S2-S4 PolarHBondContact O-N 3.41Å; S4-A8 PolarHBondContact O-N 3.44Å |
| 5 | S | 81 | Confident | 81.5 | Confident | 79 Ų | 79 | 104.2 Ų | 104.2 | 55% | 0.552 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -76.8 | -39.5 | 179.2 | -155.2 | 0 | 0 | 0 | 0 | 111.2 | S2 D3 A8 E9 | S2-S5 PolarHBondContact O-N 3.32Å; D3-S5 VanDerWaalsContact C-N 3.29Å; D3-S5 PolarHBondContact O-N 3.12Å; S5-A8 PolarHBondContact O-N 3.38Å; S5-E9 PolarHBondContact O-N 3.37Å |
| 6 | Q | 82.2 | Confident | 82.1 | Confident | 123 Ų | 123 | 105.4 Ų | 105.4 | 58% | 0.575 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.1 | -39.2 | 177.5 | -69.4 | -176.4 | -13 | 0 | 0 | 112.4 | S2 D3 A8 E9 L10 | S2-Q6 PolarHBondContact O-N 3.37Å; D3-Q6 PolarHBondContact O-N 3.01Å; Q6-A8 VanDerWaalsContact C-N 3.33Å; Q6-A8 PolarHBondContact O-N 2.87Å; Q6-E9 PolarHBondContact O-N 3.46Å; Q6-L10 WeakPolarHBondContact O-CB 3.35Å; Q6-L10 PolarHBondContact O-N 2.94Å |
| 7 | M | 82.1 | Confident | 82.8 | Confident | 122 Ų | 122 | 106 Ų | 106 | 60% | 0.601 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.4 | -38 | 173.9 | -80.7 | -92.4 | -78.6 | 0 | 0 | 112.3 | D3 L10 L11 | D3-M7 PolarHBondContact O-N 3.27Å; D3-M7 VanDerWaalsContact O-N 3.12Å; M7-L10 PolarHBondContact O-N 3.42Å; M7-L11 WeakPolarHBondContact O-CB 3.43Å; M7-L11 WeakPolarHBondContact O-CG 3.49Å; M7-L11 PolarHBondContact O-N 3.4Å |
| 8 | A | 85.9 | Confident | 83.3 | Confident | 50 Ų | 50 | 107.2 Ų | 107.2 | 41% | 0.413 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.9 | -41.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S4 S5 Q6 L11 T12 | S4-A8 PolarHBondContact O-N 3.44Å; S5-A8 PolarHBondContact O-N 3.38Å; Q6-A8 VanDerWaalsContact C-N 3.33Å; Q6-A8 PolarHBondContact O-N 2.87Å; A8-L11 PolarHBondContact O-N 3.35Å; A8-T12 WeakPolarHBondContact O-CB 3.43Å; A8-T12 PolarHBondContact O-N 2.71Å; A8-T12 PolarHBondContact O-OG1 2.97Å |
| 9 | E | 86.1 | Confident | 83.7 | Confident | 137 Ų | 137 | 111.2 Ų | 111.2 | 64% | 0.64 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.7 | -44 | 171.6 | -90.8 | 175.3 | 155.3 | 0 | 0 | 112 | S5 Q6 L11 T12 A13 | S5-E9 PolarHBondContact O-N 3.37Å; Q6-E9 PolarHBondContact O-N 3.46Å; E9-L11 PolarHBondContact O-N 3.48Å; E9-T12 PolarHBondContact O-N 2.97Å; E9-A13 WeakPolarHBondContact O-CB 3.39Å; E9-A13 PolarHBondContact O-N 3.47Å |
| 10 | L | 87.7 | Confident | 84.1 | Confident | 123 Ų | 123 | 109.5 Ų | 109.5 | 64% | 0.644 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.1 | -43.6 | 178.6 | -162.6 | 95 | 0 | 0 | 0 | 111.9 | Q6 M7 T12 A13 L14 | Q6-L10 WeakPolarHBondContact O-CB 3.35Å; Q6-L10 PolarHBondContact O-N 2.94Å; M7-L10 PolarHBondContact O-N 3.42Å; L10-T12 VanDerWaalsContact C-N 3.34Å; L10-A13 PolarHBondContact O-N 2.75Å; L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 PolarHBondContact O-N 3Å |
| 11 | L | 87.9 | Confident | 84.4 | Confident | 113 Ų | 113 | 109.4 Ų | 109.4 | 59% | 0.592 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.2 | -38.9 | 176 | -74.9 | 170.9 | 0 | 0 | 0 | 111.9 | M7 A8 E9 L14 S15 | M7-L11 WeakPolarHBondContact O-CB 3.43Å; M7-L11 WeakPolarHBondContact O-CG 3.49Å; M7-L11 PolarHBondContact O-N 3.4Å; A8-L11 PolarHBondContact O-N 3.35Å; E9-L11 PolarHBondContact O-N 3.48Å; L11-L14 PolarHBondContact O-N 3.23Å; L11-S15 WeakPolarHBondContact O-CB 3.37Å; L11-S15 PolarHBondContact O-N 3.48Å |
| 12 | T | 90.1 | Very high | 86 | Confident | 85 Ų | 85 | 101.2 Ų | 101.2 | 52% | 0.521 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.3 | -48.1 | 177.4 | -52.5 | 0 | 0 | 0 | 0 | 110.2 | A8 E9 L10 L14 S15 E16 | A8-T12 WeakPolarHBondContact O-CB 3.43Å; A8-T12 PolarHBondContact O-N 2.71Å; A8-T12 PolarHBondContact O-OG1 2.97Å; E9-T12 PolarHBondContact O-N 2.97Å; L10-T12 VanDerWaalsContact C-N 3.34Å; T12-L14 PolarHBondContact O-N 3.03Å; T12-S15 PolarHBondContact O-N 3.48Å; T12-S15 PolarHBondContact O-OG 2.85Å; T12-E16 PolarHBondContact O-N 3.23Å |
| 13 | A | 90.8 | Very high | 87.3 | Confident | 57 Ų | 57 | 100 Ų | 100 | 47% | 0.471 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -59.8 | -42.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E9 L10 S15 E16 Q17 | E9-A13 WeakPolarHBondContact O-CB 3.39Å; E9-A13 PolarHBondContact O-N 3.47Å; L10-A13 PolarHBondContact O-N 2.75Å; A13-S15 PolarHBondContact O-N 3.44Å; A13-E16 PolarHBondContact O-N 3.02Å; A13-Q17 PolarHBondContact O-N 3.23Å |
| 14 | L | 92.3 | Very high | 88.3 | Confident | 91 Ų | 91 | 99.2 Ų | 99.2 | 48% | 0.476 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 177.5 | -174.8 | 64.6 | 0 | 0 | 0 | 112 | L10 L11 T12 E16 Q17 Q18 | L10-L14 WeakPolarHBondContact O-CB 3.48Å; L10-L14 PolarHBondContact O-N 3Å; L11-L14 PolarHBondContact O-N 3.23Å; T12-L14 PolarHBondContact O-N 3.03Å; L14-E16 VanDerWaalsContact C-N 3.31Å; L14-E16 PolarHBondContact O-N 3.38Å; L14-Q17 PolarHBondContact O-N 3.48Å; L14-Q18 WeakPolarHBondContact O-CG 3.45Å; L14-Q18 PolarHBondContact O-N 3.09Å |
| 15 | S | 91.4 | Very high | 88.9 | Confident | 43 Ų | 43 | 100 Ų | 100 | 30% | 0.301 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.6 | -35.8 | 177.2 | 78.8 | 0 | 0 | 0 | 0 | 112.3 | L11 T12 A13 Q18 R19 | L11-S15 WeakPolarHBondContact O-CB 3.37Å; L11-S15 PolarHBondContact O-N 3.48Å; T12-S15 PolarHBondContact O-N 3.48Å; T12-S15 PolarHBondContact O-OG 2.85Å; A13-S15 PolarHBondContact O-N 3.44Å; S15-Q18 PolarHBondContact O-N 3.5Å; S15-R19 PolarHBondContact O-N 3.37Å; S15-R19 VanDerWaalsContact O-N 3.09Å |
| 16 | E | 91.2 | Very high | 89.1 | Confident | 123 Ų | 123 | 98.5 Ų | 98.5 | 58% | 0.575 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.1 | -39.9 | 177.1 | -170.1 | 169.5 | -171.7 | 0 | 0 | 111.4 | T12 A13 L14 Q18 R19 T20 | T12-E16 PolarHBondContact O-N 3.23Å; A13-E16 PolarHBondContact O-N 3.02Å; L14-E16 VanDerWaalsContact C-N 3.31Å; L14-E16 PolarHBondContact O-N 3.38Å; E16-Q18 VanDerWaalsContact C-N 3.31Å; E16-Q18 PolarHBondContact O-N 2.91Å; E16-R19 PolarHBondContact O-N 2.95Å; E16-T20 PolarHBondContact O-N 3.01Å; E16-T20 PolarHBondContact O-OG1 3.44Å |
| 17 | Q | 93.7 | Very high | 89.3 | Confident | 116 Ų | 116 | 95.1 Ų | 95.1 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 172.3 | -170.7 | -179.1 | -46.9 | 0 | 0 | 111.8 | A13 L14 T20 M21 | A13-Q17 PolarHBondContact O-N 3.23Å; L14-Q17 PolarHBondContact O-N 3.48Å; Q17-T20 VanDerWaalsContact CA-OG1 3.28Å; Q17-T20 WeakPolarHBondContact CA-OG1 3.46Å; Q17-T20 PolarHBondContact O-N 3.32Å; Q17-T20 PolarHBondContact O-OG1 2.9Å; Q17-M21 WeakPolarHBondContact O-CG 3.43Å; Q17-M21 PolarHBondContact O-N 3.32Å |
| 18 | Q | 91.5 | Very high | 89.4 | Confident | 127 Ų | 127 | 94.9 Ų | 94.9 | 59% | 0.593 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.6 | -40.1 | 175.5 | -74.7 | -178.1 | -14.9 | 0 | 0 | 112.3 | L14 S15 E16 M21 A22 | L14-Q18 WeakPolarHBondContact O-CG 3.45Å; L14-Q18 PolarHBondContact O-N 3.09Å; S15-Q18 PolarHBondContact O-N 3.5Å; E16-Q18 VanDerWaalsContact C-N 3.31Å; E16-Q18 PolarHBondContact O-N 2.91Å; Q18-M21 PolarHBondContact O-N 2.97Å; Q18-A22 WeakPolarHBondContact O-CB 3.28Å; Q18-A22 PolarHBondContact O-N 2.91Å |
| 19 | R | 91.3 | Very high | 89.1 | Confident | 183 Ų | 183 | 95.4 Ų | 95.4 | 69% | 0.691 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65 | -41.5 | 176.4 | -75 | -170.3 | -168.4 | 118.5 | 2.6 | 112.5 | S15 E16 A22 A23 | S15-R19 PolarHBondContact O-N 3.37Å; S15-R19 VanDerWaalsContact O-N 3.09Å; E16-R19 PolarHBondContact O-N 2.95Å; R19-A22 PolarHBondContact O-N 3.03Å; R19-A23 WeakPolarHBondContact O-CB 3.38Å; R19-A23 PolarHBondContact O-N 3.46Å |
| 20 | T | 90.6 | Very high | 88.3 | Confident | 78 Ų | 78 | 94.5 Ų | 94.5 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 177.6 | 34.7 | 0 | 0 | 0 | 0 | 111.4 | E16 Q17 A22 A23 L24 | E16-T20 PolarHBondContact O-N 3.01Å; E16-T20 PolarHBondContact O-OG1 3.44Å; Q17-T20 VanDerWaalsContact CA-OG1 3.28Å; Q17-T20 WeakPolarHBondContact CA-OG1 3.46Å; Q17-T20 PolarHBondContact O-N 3.32Å; Q17-T20 PolarHBondContact O-OG1 2.9Å; T20-A22 PolarHBondContact O-N 3.04Å; T20-A23 PolarHBondContact O-N 3.34Å; T20-L24 WeakPolarHBondContact O-CG 3.37Å; T20-L24 PolarHBondContact O-N 3.5Å |
| 21 | M | 90.2 | Very high | 87 | Confident | 107 Ų | 107 | 93.1 Ų | 93.1 | 53% | 0.527 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.8 | -44.7 | 172.3 | -74.4 | -175.2 | 69.1 | 0 | 0 | 112.4 | Q17 Q18 A23 L24 I25 | Q17-M21 WeakPolarHBondContact O-CG 3.43Å; Q17-M21 PolarHBondContact O-N 3.32Å; Q18-M21 PolarHBondContact O-N 2.97Å; M21-A23 VanDerWaalsContact C-N 3.34Å; M21-A23 PolarHBondContact O-N 3.21Å; M21-L24 PolarHBondContact O-N 3.05Å; M21-I25 WeakPolarHBondContact O-CG1 3.44Å; M21-I25 PolarHBondContact O-N 3.46Å |
| 22 | A | 91 | Very high | 85.6 | Confident | 57 Ų | 57 | 92.6 Ų | 92.6 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q18 R19 T20 I25 A26 | Q18-A22 WeakPolarHBondContact O-CB 3.28Å; Q18-A22 PolarHBondContact O-N 2.91Å; R19-A22 PolarHBondContact O-N 3.03Å; T20-A22 PolarHBondContact O-N 3.04Å; A22-I25 PolarHBondContact O-N 2.9Å; A22-A26 WeakPolarHBondContact O-CB 3.41Å; A22-A26 PolarHBondContact O-N 2.88Å |
| 23 | A | 90.6 | Very high | 83.9 | Confident | 62 Ų | 62 | 95.1 Ų | 95.1 | 51% | 0.512 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -40.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | R19 T20 M21 A26 S27 | R19-A23 WeakPolarHBondContact O-CB 3.38Å; R19-A23 PolarHBondContact O-N 3.46Å; T20-A23 PolarHBondContact O-N 3.34Å; M21-A23 VanDerWaalsContact C-N 3.34Å; M21-A23 PolarHBondContact O-N 3.21Å; A23-A26 PolarHBondContact O-N 3.44Å; A23-S27 WeakPolarHBondContact O-CB 3.34Å; A23-S27 PolarHBondContact O-N 3.43Å; A23-S27 PolarHBondContact O-OG 3.37Å |
| 24 | L | 91.5 | Very high | 82 | Confident | 110 Ų | 110 | 102.2 Ų | 102.2 | 58% | 0.576 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.1 | -45.5 | 175.2 | -71.4 | 173.1 | 0 | 0 | 0 | 111.5 | T20 M21 A26 S27 L28 | T20-L24 WeakPolarHBondContact O-CG 3.37Å; T20-L24 PolarHBondContact O-N 3.5Å; M21-L24 PolarHBondContact O-N 3.05Å; L24-A26 VanDerWaalsContact C-N 3.33Å; L24-A26 PolarHBondContact O-N 3.33Å; L24-S27 WeakPolarHBondContact CA-OG 3.33Å; L24-S27 PolarHBondContact O-N 2.86Å; L24-S27 PolarHBondContact O-OG 2.76Å; L24-L28 WeakPolarHBondContact O-CB 3.5Å; L24-L28 WeakPolarHBondContact O-CG 3.34Å; L24-L28 PolarHBondContact O-N 3.38Å |
| 25 | I | 86.7 | Confident | 79.7 | Confident | 113 Ų | 113 | 104.8 Ų | 104.8 | 58% | 0.579 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.7 | -43.6 | 175.5 | -65.9 | 166.2 | 0 | 0 | 0 | 110.8 | M21 A22 S27 L28 S29 | M21-I25 WeakPolarHBondContact O-CG1 3.44Å; M21-I25 PolarHBondContact O-N 3.46Å; A22-I25 PolarHBondContact O-N 2.9Å; I25-S27 VanDerWaalsContact C-N 3.35Å; I25-S27 PolarHBondContact O-N 3.41Å; I25-L28 PolarHBondContact O-N 3.38Å; I25-S29 WeakPolarHBondContact O-CB 3.47Å; I25-S29 PolarHBondContact O-N 3.48Å |
| 26 | A | 87.1 | Confident | 77.2 | Confident | 48 Ų | 48 | 106.4 Ų | 106.4 | 40% | 0.397 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.3 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A22 A23 L24 S29 Q30 | A22-A26 WeakPolarHBondContact O-CB 3.41Å; A22-A26 PolarHBondContact O-N 2.88Å; A23-A26 PolarHBondContact O-N 3.44Å; L24-A26 VanDerWaalsContact C-N 3.33Å; L24-A26 PolarHBondContact O-N 3.33Å; A26-S29 PolarHBondContact O-N 2.85Å; A26-Q30 WeakPolarHBondContact O-CB 3.47Å; A26-Q30 VanDerWaalsContact O-CG 3.28Å; A26-Q30 WeakPolarHBondContact O-CG 3.28Å; A26-Q30 PolarHBondContact O-N 2.73Å |
| 27 | S | 86 | Confident | 75 | Confident | 53 Ų | 53 | 104.4 Ų | 104.4 | 37% | 0.371 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.1 | -40 | 176.5 | 70.2 | 0 | 0 | 0 | 0 | 112.8 | A23 L24 I25 Q30 N31 | A23-S27 WeakPolarHBondContact O-CB 3.34Å; A23-S27 PolarHBondContact O-N 3.43Å; A23-S27 PolarHBondContact O-OG 3.37Å; L24-S27 WeakPolarHBondContact CA-OG 3.33Å; L24-S27 PolarHBondContact O-N 2.86Å; L24-S27 PolarHBondContact O-OG 2.76Å; I25-S27 VanDerWaalsContact C-N 3.35Å; I25-S27 PolarHBondContact O-N 3.41Å; S27-Q30 PolarHBondContact O-N 3.48Å; S27-N31 WeakPolarHBondContact O-CB 3.35Å; S27-N31 PolarHBondContact O-N 2.89Å |
| 28 | L | 83.4 | Confident | 72.5 | Confident | 116 Ų | 116 | 105.2 Ų | 105.2 | 61% | 0.607 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.5 | -41.3 | 176.5 | -74.1 | 163 | 0 | 0 | 0 | 110.9 | L24 I25 N31 S32 | L24-L28 WeakPolarHBondContact O-CB 3.5Å; L24-L28 WeakPolarHBondContact O-CG 3.34Å; L24-L28 PolarHBondContact O-N 3.38Å; I25-L28 PolarHBondContact O-N 3.38Å; L28-N31 PolarHBondContact O-N 2.88Å; L28-S32 WeakPolarHBondContact O-CB 3.4Å; L28-S32 PolarHBondContact O-N 2.76Å; L28-S32 PolarHBondContact O-OG 2.84Å |
| 29 | S | 79.5 | Confident | 70.1 | Confident | 62 Ų | 62 | 103.2 Ų | 103.2 | 43% | 0.434 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.4 | -44.7 | 174.4 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | I25 A26 N31 S32 L33 | I25-S29 WeakPolarHBondContact O-CB 3.47Å; I25-S29 PolarHBondContact O-N 3.48Å; A26-S29 PolarHBondContact O-N 2.85Å; S29-N31 VanDerWaalsContact C-N 3.34Å; S29-N31 PolarHBondContact O-N 3.15Å; S29-S32 PolarHBondContact O-N 3.37Å; S29-L33 WeakPolarHBondContact O-CB 3.35Å; S29-L33 WeakPolarHBondContact O-CD1 3.33Å; S29-L33 WeakPolarHBondContact O-CG 3.42Å; S29-L33 PolarHBondContact O-N 3.44Å |
| 30 | Q | 69.9 | Low | 68 | Low | 118 Ų | 118 | 103.3 Ų | 103.3 | 55% | 0.551 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.3 | -34.7 | 174.5 | -74.8 | -176 | 10.2 | 0 | 0 | 112.5 | A26 S27 L33 R34 | A26-Q30 WeakPolarHBondContact O-CB 3.47Å; A26-Q30 VanDerWaalsContact O-CG 3.28Å; A26-Q30 WeakPolarHBondContact O-CG 3.28Å; A26-Q30 PolarHBondContact O-N 2.73Å; S27-Q30 PolarHBondContact O-N 3.48Å; Q30-L33 CarbonylContact O-C 3.54Å; Q30-L33 PolarHBondContact O-N 3.33Å; Q30-R34 WeakPolarHBondContact O-CB 3.17Å; Q30-R34 VanDerWaalsContact O-CG 3.27Å; Q30-R34 WeakPolarHBondContact O-CG 3.27Å; Q30-R34 PolarHBondContact O-N 2.8Å |
| 31 | N | 61.1 | Low | 66.2 | Low | 94 Ų | 94 | 102.2 Ų | 102.2 | 50% | 0.503 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70 | -42.3 | 173.4 | -104.4 | 49.4 | 0 | 0 | 0 | 111.3 | S27 L28 S29 L33 R34 E35 | S27-N31 WeakPolarHBondContact O-CB 3.35Å; S27-N31 PolarHBondContact O-N 2.89Å; L28-N31 PolarHBondContact O-N 2.88Å; S29-N31 VanDerWaalsContact C-N 3.34Å; S29-N31 PolarHBondContact O-N 3.15Å; N31-L33 PolarHBondContact O-N 3.33Å; N31-R34 CarbonylContact O-C 3.54Å; N31-R34 PolarHBondContact O-N 3.47Å; N31-R34 VanDerWaalsContact O-N 3.15Å; N31-E35 PolarHBondContact O-N 3.32Å |
| 32 | S | 57 | Low | 65.3 | Low | 102 Ų | 102 | 102 Ų | 102 | 71% | 0.713 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.4 | -27.9 | 172 | -78.8 | 0 | 0 | 0 | 0 | 112.8 | L28 S29 | L28-S32 WeakPolarHBondContact O-CB 3.4Å; L28-S32 PolarHBondContact O-N 2.76Å; L28-S32 PolarHBondContact O-OG 2.84Å; S29-S32 PolarHBondContact O-N 3.37Å |
| 33 | L | 53.9 | Low | 64.9 | Low | 137 Ų | 137 | 99.9 Ų | 99.9 | 72% | 0.717 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -86.2 | -23.2 | 173.5 | -75.5 | 157.4 | 0 | 0 | 0 | 113 | S29 Q30 N31 | S29-L33 WeakPolarHBondContact O-CB 3.35Å; S29-L33 WeakPolarHBondContact O-CD1 3.33Å; S29-L33 WeakPolarHBondContact O-CG 3.42Å; S29-L33 PolarHBondContact O-N 3.44Å; Q30-L33 CarbonylContact O-C 3.54Å; Q30-L33 PolarHBondContact O-N 3.33Å; N31-L33 PolarHBondContact O-N 3.33Å |
| 34 | R | 50.9 | Low | 64.7 | Low | 206 Ų | 206 | 99.8 Ų | 99.8 | 78% | 0.777 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -97 | -2.1 | 178.1 | -72.9 | 178.2 | 98.5 | -176.2 | 5.4 | 114.2 | Q30 N31 | Q30-R34 WeakPolarHBondContact O-CB 3.17Å; Q30-R34 VanDerWaalsContact O-CG 3.27Å; Q30-R34 WeakPolarHBondContact O-CG 3.27Å; Q30-R34 PolarHBondContact O-N 2.8Å; N31-R34 CarbonylContact O-C 3.54Å; N31-R34 PolarHBondContact O-N 3.47Å; N31-R34 VanDerWaalsContact O-N 3.15Å |
| 35 | E | 44.9 | Very low | 64.6 | Low | 145 Ų | 145 | 99.3 Ų | 99.3 | 68% | 0.678 | 57% | 0.573 | S | S | * | * | trans | -116.1 | 55.7 | 167.3 | -72.7 | -177.6 | 171.6 | 0 | 0 | 111.6 | N31 | N31-E35 PolarHBondContact O-N 3.32Š| ||
| 36 | A | 38.8 | Very low | 64.9 | Low | 78 Ų | 78 | 94.4 Ų | 94.4 | 65% | 0.645 | 55% | 0.548 | S | S | * | . | -95.5 | 102 | 122.6 | 0 | 0 | 0 | 0 | 0 | 104.6 | T38 | A36-T38 PolarHBondContact O-N 2.63Š| |||
| 37 | P | 45.7 | Very low | 65.1 | Low | 81 Ų | 81 | 95.6 Ų | 95.6 | 53% | 0.526 | 55% | 0.551 | S | S | . | * | trans | -46.6 | 136.5 | 138.1 | 27.7 | -32.8 | 0 | 0 | 0 | 103.5 | S39 | P37-S39 VanDerWaalsContact CG-OG 3.31Å; P37-S39 WeakPolarHBondContact CG-OG 3.31Å; P37-S39 PolarHBondContact O-N 3.18Å | ||
| 38 | T | 39.7 | Very low | 65.5 | Low | 132 Ų | 132 | 96.7 Ų | 96.7 | 81% | 0.81 | 56% | 0.558 | S | S | * | * | trans | -61.9 | 69.9 | 143.1 | 51.1 | 0 | 0 | 0 | 0 | 104.9 | A36 K40 | A36-T38 PolarHBondContact O-N 2.63Å; T38-K40 PolarHBondContact O-N 2.66Å | ||
| 39 | S | 42.7 | Very low | 66.1 | Low | 86 Ų | 86 | 93 Ų | 93 | 60% | 0.601 | 54% | 0.537 | S | S | * | . | trans | -52.6 | 88.1 | 142.8 | -81.7 | 0 | 0 | 0 | 0 | 99.8 | P37 A41 | P37-S39 VanDerWaalsContact CG-OG 3.31Å; P37-S39 WeakPolarHBondContact CG-OG 3.31Å; P37-S39 PolarHBondContact O-N 3.18Å; S39-A41 PolarHBondContact O-N 2.61Å | ||
| 40 | K | 46.2 | Very low | 66.7 | Low | 185 Ų | 185 | 92.1 Ų | 92.1 | 80% | 0.804 | 53% | 0.527 | S | S | * | . | trans | -41.4 | 91.7 | 138.7 | -67.7 | 178.9 | 179.8 | 178.5 | 0 | 101.1 | T38 S42 | T38-K40 PolarHBondContact O-N 2.66Å; K40-S42 PolarHBondContact O-N 3.26Å | ||
| 41 | A | 53.5 | Low | 67.7 | Low | 54 Ų | 54 | 97.1 Ų | 97.1 | 45% | 0.446 | 54% | 0.541 | S | S | . | . | trans | -63.8 | 84.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 100.5 | S39 V43 R77 | S39-A41 PolarHBondContact O-N 2.61Å; A41-V43 PolarHBondContact O-N 3.37Å; A41-R77 PolarHBondContact O-NH2 2.64Å; A41-R77 VanDerWaalsContact O-NH2 3.15Å | ||
| 42 | S | 71.5 | Confident | 69.3 | Low | 102 Ų | 102 | 98.6 Ų | 98.6 | 71% | 0.713 | 55% | 0.554 | S | S | * | * | trans | -74.5 | 94.4 | -176.7 | -177.8 | 0 | 0 | 0 | 0 | 99.9 | K40 P44 | K40-S42 PolarHBondContact O-N 3.26Å; S42-P44 VanDerWaalsContact O-CD 3.27Å; S42-P44 WeakPolarHBondContact O-CD 3.25Å; S42-P44 VanDerWaalsContact O-N 3.1Å | ||
| 43 | V | 81.4 | Confident | 71 | Confident | 13 Ų | 13 | 101.8 Ų | 101.8 | 8% | 0.079 | 55% | 0.554 | C | S | . | * | P | Polyproline II helix | trans | -59.7 | 120.7 | 178.2 | -172.7 | 0 | 0 | 0 | 0 | 104.3 | A41 H70 V72 F81 W85 | A41-V43 PolarHBondContact O-N 3.37Å; V43-H70 HydrophobicContact CG1-CB 3.76Å; V43-H70 HydrophobicContact CG2-CB 4.24Å; V43-V72 HydrophobicContact CG1-CG2 4.32Å; V43-V72 HydrophobicContact CG2-CG2 3.72Å; V43-F81 HydrophobicContact CB-CE1 4.07Å; V43-F81 HydrophobicContact CB-CE2 4.11Å; V43-F81 HydrophobicContact CB-CZ 3.69Å; V43-F81 HydrophobicContact CG2-CE1 4.25Å; V43-F81 HydrophobicContact CG2-CE2 3.55Å; V43-F81 HydrophobicContact CG2-CZ 3.37Å; V43-W85 HydrophobicContact CB-CH2 4.17Å; V43-W85 HydrophobicContact CG1-CH2 3.57Å; V43-W85 HydrophobicContact CG1-CZ2 4.31Å |
| 44 | P | 87.7 | Confident | 72.9 | Confident | 61 Ų | 61 | 97 Ų | 97 | 40% | 0.396 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 148.1 | -178.6 | -25.4 | 34.8 | 0 | 0 | 0 | 109.8 | S42 H66 H70 W85 | S42-P44 VanDerWaalsContact O-CD 3.27Å; S42-P44 WeakPolarHBondContact O-CD 3.25Å; S42-P44 VanDerWaalsContact O-N 3.1Å; P44-H66 PolarHBondContact O-NE2 2.77Å; P44-H70 WeakPolarHBondContact CD-CD2 3.32Å; P44-H70 WeakPolarHBondContact CD-NE2 3.36Å; P44-H70 WeakPolarHBondContact CG-NE2 3.38Å; P44-W85 WeakPolarHBondContact O-CH2 3.17Å; P44-W85 VanDerWaalsContact O-CZ2 3.23Å; P44-W85 WeakPolarHBondContact O-CZ2 3.36Å |
| 45 | S | 88.5 | Confident | 75 | Confident | 99 Ų | 99 | 91.1 Ų | 91.1 | 69% | 0.692 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 145.6 | 176 | -168.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 46 | F | 92.5 | Very high | 77.3 | Confident | 11 Ų | 11 | 88.4 Ų | 88.4 | 5% | 0.048 | 50% | 0.499 | C | S | . | . | trans | -114.5 | 137.5 | 178.6 | -169.1 | -100 | 0 | 0 | 0 | 109.6 | Y59 R62 L63 H66 W85 | F46-Y59 HydrophobicContact CD1-CE2 4.01Å; F46-Y59 HydrophobicContact CE1-CD2 4.01Å; F46-Y59 AromaticContact CE1-CE2 3.53Å; F46-Y59 HydrophobicContact CE1-CE2 3.53Å; F46-Y59 AromaticContact CE1-CZ 3.96Å; F46-R62 HydrophobicContact CE2-CG 3.88Å; F46-R62 VanDerWaalsContact CE2-NH1 3.31Å; F46-R62 HydrophobicContact CZ-CB 3.92Å; F46-R62 HydrophobicContact CZ-CG 3.64Å; F46-L63 HydrophobicContact CD1-CD1 3.85Å; F46-L63 HydrophobicContact CD2-CD1 4.3Å; F46-L63 HydrophobicContact CE1-CB 3.95Å; F46-L63 HydrophobicContact CE1-CD1 3.98Å; F46-L63 HydrophobicContact CE2-CD1 4.42Å; F46-L63 HydrophobicContact CG-CD1 4Å; F46-L63 HydrophobicContact CZ-CB 3.86Å; F46-L63 HydrophobicContact CZ-CD1 4.24Å; F46-H66 HydrophobicContact CD2-CB 3.84Å; F46-H66 AromaticContact CD2-CD2 3.89Å; F46-H66 AromaticContact CD2-CG 3.66Å; F46-H66 AromaticContact CD2-ND1 3.94Å; F46-H66 HydrophobicContact CE2-CB 3.79Å; F46-W85 HydrophobicContact CB-CB 4.3Å; F46-W85 HydrophobicContact CB-CD2 3.45Å; F46-W85 VanDerWaalsContact CB-CD2 3.45Å; F46-W85 HydrophobicContact CB-CE3 3.3Å; F46-W85 HydrophobicContact CB-CG 3.91Å; F46-W85 HydrophobicContact CB-CH2 4.23Å; F46-W85 HydrophobicContact CB-CZ2 4.36Å; F46-W85 HydrophobicContact CB-CZ3 3.71Å; F46-W85 HydrophobicContact CD1-CE3 4.48Å; F46-W85 HydrophobicContact CG-CE3 4.1Å; F46-W85 HydrophobicContact CG-CZ3 4.47Å | ||
| 47 | P | 93.1 | Very high | 80 | Confident | 72 Ų | 72 | 90.6 Ų | 90.6 | 47% | 0.468 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 137.8 | 177.2 | -25 | 32.4 | 0 | 0 | 0 | 112 | Y59 | P47-Y59 WeakPolarHBondContact O-CE2 3.06Š|
| 48 | P | 94 | Very high | 82.4 | Confident | 77 Ų | 77 | 90.4 Ų | 90.4 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 162.3 | 179.9 | 29.8 | -35.9 | 0 | 0 | 0 | 112.8 | D50 W85 | P48-D50 PolarHBondContact O-N 3.19Å; P48-W85 WeakPolarHBondContact CA-O 3.27Å; P48-W85 VanDerWaalsContact CB-O 3.27Å; P48-W85 WeakPolarHBondContact CB-O 3.38Å |
| 49 | F | 94.9 | Very high | 85.1 | Confident | 38 Ų | 38 | 84.1 Ų | 84.1 | 17% | 0.167 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 125.6 | 176.9 | 176.3 | -118.5 | 0 | 0 | 0 | 110.2 | R51 E54 W56 Y59 V86 T90 | F49-R51 HydrophobicContact CE1-CB 4.08Å; F49-R51 HydrophobicContact CZ-CB 4.04Å; F49-R51 HydrophobicContact CZ-CG 4.29Å; F49-E54 HydrophobicContact CD2-CG 4.37Å; F49-E54 HydrophobicContact CE2-CG 4.38Å; F49-W56 HydrophobicContact CB-CZ3 4.28Å; F49-W56 AromaticContact CD1-CE3 3.97Å; F49-W56 HydrophobicContact CD1-CE3 3.97Å; F49-W56 HydrophobicContact CD1-CZ3 4.09Å; F49-W56 AromaticContact CD2-CE3 3.99Å; F49-W56 HydrophobicContact CD2-CE3 3.99Å; F49-W56 HydrophobicContact CD2-CZ3 4.41Å; F49-W56 HydrophobicContact CE1-CE3 4.04Å; F49-W56 HydrophobicContact CE2-CB 4.46Å; F49-W56 HydrophobicContact CE2-CE3 4.07Å; F49-W56 AromaticContact CG-CE3 3.93Å; F49-W56 HydrophobicContact CG-CE3 3.93Å; F49-W56 AromaticContact CG-CZ3 3.99Å; F49-W56 HydrophobicContact CG-CZ3 3.99Å; F49-W56 HydrophobicContact CZ-CB 4.38Å; F49-W56 HydrophobicContact CZ-CE3 4.1Å; F49-Y59 HydrophobicContact CB-CD1 4.28Å; F49-Y59 HydrophobicContact CB-CD2 3.85Å; F49-Y59 HydrophobicContact CB-CE1 4.26Å; F49-Y59 HydrophobicContact CB-CE2 3.8Å; F49-Y59 HydrophobicContact CB-CG 4.11Å; F49-Y59 HydrophobicContact CD2-CD1 4.29Å; F49-Y59 AromaticContact CD2-CD2 3.99Å; F49-Y59 HydrophobicContact CD2-CD2 3.99Å; F49-Y59 AromaticContact CD2-CG 3.73Å; F49-Y59 HydrophobicContact CD2-CG 3.73Å; F49-Y59 HydrophobicContact CG-CD2 4.42Å; F49-Y59 HydrophobicContact CG-CG 4.31Å; F49-V86 HydrophobicContact CB-CG2 4.18Å; F49-T90 HydrophobicContact CD1-CG2 4.26Å |
| 50 | D | 92.6 | Very high | 87.5 | Confident | 44 Ų | 44 | 85.4 Ų | 85.4 | 24% | 0.235 | 45% | 0.454 | C | S | . | . | trans | -126.4 | 105.3 | 176.6 | -175.6 | -15.3 | 0 | 0 | 0 | 109.5 | P48 T52 K53 E54 | P48-D50 PolarHBondContact O-N 3.19Å; D50-T52 VanDerWaalsContact CG-OG1 3.31Å; D50-T52 PolarHBondContact O-N 3.39Å; D50-T52 VanDerWaalsContact O-N 3.08Å; D50-T52 WeakPolarHBondContact OD1-CB 3.23Å; D50-T52 PolarHBondContact OD1-N 3.02Å; D50-T52 PolarHBondContact OD1-OG1 3.12Å; D50-T52 PolarHBondContact OD2-OG1 3.18Å; D50-K53 HydrophobicContact CB-CB 4.23Å; D50-K53 HydrophobicContact CB-CD 4.21Å; D50-K53 HydrophobicContact CB-CG 4.25Å; D50-K53 PolarHBondContact O-N 3.22Å; D50-K53 WeakPolarHBondContact OD2-CD 3.4Å; D50-K53 VanDerWaalsContact OD2-CE 3.26Å; D50-K53 WeakPolarHBondContact OD2-CE 3.16Å; D50-K53 WeakPolarHBondContact OD2-CG 3.49Å; D50-K53 IonicContact OD2-NZ 2.72Å; D50-K53 PolarHBondContact OD2-NZ 3.42Å; D50-E54 PolarHBondContact O-N 3.04Å | ||
| 51 | R | 91.8 | Very high | 89.9 | Confident | 222 Ų | 222 | 79.4 Ų | 79.4 | 84% | 0.838 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.6 | -178.3 | -164.6 | 179.1 | -177.8 | 177.2 | 2.4 | 113.1 | F49 | F49-R51 HydrophobicContact CE1-CB 4.08Å; F49-R51 HydrophobicContact CZ-CB 4.04Å; F49-R51 HydrophobicContact CZ-CG 4.29Å |
| 52 | T | 93.1 | Very high | 91.9 | Very high | 126 Ų | 126 | 80.8 Ų | 80.8 | 77% | 0.773 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -17.8 | 175.4 | 72.4 | 0 | 0 | 0 | 0 | 112.9 | D50 | D50-T52 VanDerWaalsContact CG-OG1 3.31Å; D50-T52 PolarHBondContact O-N 3.39Å; D50-T52 VanDerWaalsContact O-N 3.08Å; D50-T52 WeakPolarHBondContact OD1-CB 3.23Å; D50-T52 PolarHBondContact OD1-N 3.02Å; D50-T52 PolarHBondContact OD1-OG1 3.12Å; D50-T52 PolarHBondContact OD2-OG1 3.18Å |
| 53 | K | 93.2 | Very high | 93 | Very high | 168 Ų | 168 | 76 Ų | 76 | 73% | 0.73 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | -36.8 | -174.9 | -66.3 | -176.8 | -178.1 | 122.1 | 0 | 113.6 | D50 | D50-K53 HydrophobicContact CB-CB 4.23Å; D50-K53 HydrophobicContact CB-CD 4.21Å; D50-K53 HydrophobicContact CB-CG 4.25Å; D50-K53 PolarHBondContact O-N 3.22Å; D50-K53 WeakPolarHBondContact OD2-CD 3.4Å; D50-K53 VanDerWaalsContact OD2-CE 3.26Å; D50-K53 WeakPolarHBondContact OD2-CE 3.16Å; D50-K53 WeakPolarHBondContact OD2-CG 3.49Å; D50-K53 IonicContact OD2-NZ 2.72Å; D50-K53 PolarHBondContact OD2-NZ 3.42Å |
| 54 | E | 94.6 | Very high | 93.6 | Very high | 36 Ų | 36 | 77 Ų | 77 | 17% | 0.168 | 41% | 0.412 | C | S | . | . | trans | -145.7 | 156.3 | -176.2 | 66.5 | -170.9 | 151.8 | 0 | 0 | 112.6 | F49 D50 V58 Y59 R62 | F49-E54 HydrophobicContact CD2-CG 4.37Å; F49-E54 HydrophobicContact CE2-CG 4.38Å; D50-E54 PolarHBondContact O-N 3.04Å; E54-V58 HydrophobicContact CB-CB 4.32Å; E54-V58 HydrophobicContact CB-CG1 4.12Å; E54-Y59 WeakPolarHBondContact OE1-CD2 3.38Å; E54-R62 IonicContact OE1-CZ 3.69Å; E54-R62 IonicContact OE1-NE 3.88Å; E54-R62 IonicContact OE1-NH2 2.71Å; E54-R62 PolarHBondContact OE1-NH2 3.31Å; E54-R62 IonicContact OE2-CZ 3.88Å; E54-R62 IonicContact OE2-NE 3.31Å; E54-R62 PolarHBondContact OE2-NE 3.15Å; E54-R62 IonicContact OE2-NH2 3.57Å | ||
| 55 | T | 95 | Very high | 94 | Very high | 83 Ų | 83 | 80.8 Ų | 80.8 | 51% | 0.509 | 43% | 0.425 | S | S | . | . | trans | -76.6 | 160.4 | 169.6 | 64.8 | 0 | 0 | 0 | 0 | 110.3 | D57 V58 Y59 | T55-D57 VanDerWaalsContact C-N 3.29Å; T55-D57 PolarHBondContact O-N 3.49Å; T55-V58 PolarHBondContact O-N 2.93Å; T55-V58 VanDerWaalsContact OG1-CG2 3.32Å; T55-V58 WeakPolarHBondContact OG1-CG2 2.9Å; T55-V58 PolarHBondContact OG1-N 3.32Å; T55-Y59 PolarHBondContact O-N 3.5Å | ||
| 56 | W | 93.3 | Very high | 94.2 | Very high | 88 Ų | 88 | 77.4 Ų | 77.4 | 33% | 0.333 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 177.5 | -178.9 | -105.3 | 0 | 0 | 0 | 112.5 | F49 V58 Y59 F60 L82 V86 T90 | F49-W56 HydrophobicContact CB-CZ3 4.28Å; F49-W56 AromaticContact CD1-CE3 3.97Å; F49-W56 HydrophobicContact CD1-CE3 3.97Å; F49-W56 HydrophobicContact CD1-CZ3 4.09Å; F49-W56 AromaticContact CD2-CE3 3.99Å; F49-W56 HydrophobicContact CD2-CE3 3.99Å; F49-W56 HydrophobicContact CD2-CZ3 4.41Å; F49-W56 HydrophobicContact CE1-CE3 4.04Å; F49-W56 HydrophobicContact CE2-CB 4.46Å; F49-W56 HydrophobicContact CE2-CE3 4.07Å; F49-W56 AromaticContact CG-CE3 3.93Å; F49-W56 HydrophobicContact CG-CE3 3.93Å; F49-W56 AromaticContact CG-CZ3 3.99Å; F49-W56 HydrophobicContact CG-CZ3 3.99Å; F49-W56 HydrophobicContact CZ-CB 4.38Å; F49-W56 HydrophobicContact CZ-CE3 4.1Å; W56-V58 VanDerWaalsContact C-N 3.33Å; W56-V58 PolarHBondContact O-N 3.05Å; W56-Y59 HydrophobicContact CE3-CD1 4.11Å; W56-Y59 HydrophobicContact CH2-CD1 4.28Å; W56-Y59 HydrophobicContact CH2-CE1 4.26Å; W56-Y59 AromaticContact CZ3-CD1 3.85Å; W56-Y59 HydrophobicContact CZ3-CD1 3.85Å; W56-Y59 HydrophobicContact CZ3-CE1 4.05Å; W56-Y59 PolarHBondContact O-N 3.26Å; W56-F60 HydrophobicContact CZ2-CD2 4.43Å; W56-F60 WeakPolarHBondContact O-CB 3.47Å; W56-F60 PolarHBondContact O-N 2.87Å; W56-L82 HydrophobicContact CH2-CD1 4.32Å; W56-V86 HydrophobicContact CH2-CG2 3.62Å; W56-V86 HydrophobicContact CZ3-CG2 3.59Å; W56-T90 HydrophobicContact CH2-CG2 4.28Å; W56-T90 HydrophobicContact CZ3-CG2 3.87Å |
| 57 | D | 95.7 | Very high | 94.3 | Very high | 124 Ų | 124 | 77.7 Ų | 77.7 | 66% | 0.663 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -61.9 | -40.3 | 178.8 | -55.9 | -71.5 | 0 | 0 | 0 | 112.2 | T55 F60 A61 | T55-D57 VanDerWaalsContact C-N 3.29Å; T55-D57 PolarHBondContact O-N 3.49Å; D57-F60 PolarHBondContact O-N 3.09Å; D57-A61 WeakPolarHBondContact O-CB 3.46Å; D57-A61 PolarHBondContact O-N 2.91Å |
| 58 | V | 95.9 | Very high | 94.3 | Very high | 78 Ų | 78 | 81.1 Ų | 81.1 | 47% | 0.473 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.2 | -45.7 | 177.3 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | E54 T55 W56 F60 A61 R62 | E54-V58 HydrophobicContact CB-CB 4.32Å; E54-V58 HydrophobicContact CB-CG1 4.12Å; T55-V58 PolarHBondContact O-N 2.93Å; T55-V58 VanDerWaalsContact OG1-CG2 3.32Å; T55-V58 WeakPolarHBondContact OG1-CG2 2.9Å; T55-V58 PolarHBondContact OG1-N 3.32Å; W56-V58 VanDerWaalsContact C-N 3.33Å; W56-V58 PolarHBondContact O-N 3.05Å; V58-F60 VanDerWaalsContact C-N 3.34Å; V58-F60 PolarHBondContact O-N 3.44Å; V58-A61 PolarHBondContact O-N 3.17Å; V58-R62 WeakPolarHBondContact O-CB 3.33Å; V58-R62 PolarHBondContact O-N 3.04Å |
| 59 | Y | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 81 Ų | 81 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -57.1 | -48 | 175 | 173.7 | -94.8 | 0 | 0 | 0 | 111.4 | F46 P47 F49 E54 T55 W56 R62 L63 L82 V86 | F46-Y59 HydrophobicContact CD1-CE2 4.01Å; F46-Y59 HydrophobicContact CE1-CD2 4.01Å; F46-Y59 AromaticContact CE1-CE2 3.53Å; F46-Y59 HydrophobicContact CE1-CE2 3.53Å; F46-Y59 AromaticContact CE1-CZ 3.96Å; P47-Y59 WeakPolarHBondContact O-CE2 3.06Å; F49-Y59 HydrophobicContact CB-CD1 4.28Å; F49-Y59 HydrophobicContact CB-CD2 3.85Å; F49-Y59 HydrophobicContact CB-CE1 4.26Å; F49-Y59 HydrophobicContact CB-CE2 3.8Å; F49-Y59 HydrophobicContact CB-CG 4.11Å; F49-Y59 HydrophobicContact CD2-CD1 4.29Å; F49-Y59 AromaticContact CD2-CD2 3.99Å; F49-Y59 HydrophobicContact CD2-CD2 3.99Å; F49-Y59 AromaticContact CD2-CG 3.73Å; F49-Y59 HydrophobicContact CD2-CG 3.73Å; F49-Y59 HydrophobicContact CG-CD2 4.42Å; F49-Y59 HydrophobicContact CG-CG 4.31Å; E54-Y59 WeakPolarHBondContact OE1-CD2 3.38Å; T55-Y59 PolarHBondContact O-N 3.5Å; W56-Y59 HydrophobicContact CE3-CD1 4.11Å; W56-Y59 HydrophobicContact CH2-CD1 4.28Å; W56-Y59 HydrophobicContact CH2-CE1 4.26Å; W56-Y59 AromaticContact CZ3-CD1 3.85Å; W56-Y59 HydrophobicContact CZ3-CD1 3.85Å; W56-Y59 HydrophobicContact CZ3-CE1 4.05Å; W56-Y59 PolarHBondContact O-N 3.26Å; Y59-R62 PolarHBondContact O-N 2.92Å; Y59-L63 HydrophobicContact CE1-CD2 4.24Å; Y59-L63 WeakPolarHBondContact O-CB 3.38Å; Y59-L63 PolarHBondContact O-N 3.44Å; Y59-L82 HydrophobicContact CE1-CD1 3.99Å; Y59-V86 HydrophobicContact CE1-CG2 4.22Å; Y59-V86 WeakPolarHBondContact OH-CA 3.45Å |
| 60 | F | 94.2 | Very high | 94 | Very high | 112 Ų | 112 | 82.1 Ų | 82.1 | 49% | 0.491 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.7 | -39.7 | -177.9 | -163.8 | -95.8 | 0 | 0 | 0 | 112.1 | W56 D57 V58 L63 G64 L82 | W56-F60 HydrophobicContact CZ2-CD2 4.43Å; W56-F60 WeakPolarHBondContact O-CB 3.47Å; W56-F60 PolarHBondContact O-N 2.87Å; D57-F60 PolarHBondContact O-N 3.09Å; V58-F60 VanDerWaalsContact C-N 3.34Å; V58-F60 PolarHBondContact O-N 3.44Å; F60-L63 PolarHBondContact O-N 3.38Å; F60-G64 PolarHBondContact O-N 3.19Å; F60-L82 HydrophobicContact CE2-CD2 4.39Å |
| 61 | A | 95.9 | Very high | 93.9 | Very high | 60 Ų | 60 | 90.1 Ų | 90.1 | 50% | 0.496 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.2 | -44.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D57 V58 L63 G64 Q65 | D57-A61 WeakPolarHBondContact O-CB 3.46Å; D57-A61 PolarHBondContact O-N 2.91Å; V58-A61 PolarHBondContact O-N 3.17Å; A61-L63 VanDerWaalsContact C-N 3.31Å; A61-L63 PolarHBondContact O-N 2.97Å; A61-G64 PolarHBondContact O-N 2.89Å; A61-Q65 PolarHBondContact O-N 3.39Å |
| 62 | R | 95.8 | Very high | 93.8 | Very high | 82 Ų | 82 | 79.8 Ų | 79.8 | 31% | 0.309 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 176.9 | -171.2 | 172.2 | 57.5 | 87 | -2.5 | 111.3 | F46 E54 V58 Y59 Q65 H66 | F46-R62 HydrophobicContact CE2-CG 3.88Å; F46-R62 VanDerWaalsContact CE2-NH1 3.31Å; F46-R62 HydrophobicContact CZ-CB 3.92Å; F46-R62 HydrophobicContact CZ-CG 3.64Å; E54-R62 IonicContact OE1-CZ 3.69Å; E54-R62 IonicContact OE1-NE 3.88Å; E54-R62 IonicContact OE1-NH2 2.71Å; E54-R62 PolarHBondContact OE1-NH2 3.31Å; E54-R62 IonicContact OE2-CZ 3.88Å; E54-R62 IonicContact OE2-NE 3.31Å; E54-R62 PolarHBondContact OE2-NE 3.15Å; E54-R62 IonicContact OE2-NH2 3.57Å; V58-R62 WeakPolarHBondContact O-CB 3.33Å; V58-R62 PolarHBondContact O-N 3.04Å; Y59-R62 PolarHBondContact O-N 2.92Å; R62-Q65 PolarHBondContact O-N 2.91Å; R62-H66 PolarHBondContact O-N 2.93Å |
| 63 | L | 94.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 79.3 Ų | 79.3 | 1% | 0.01 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.6 | -39.3 | 175.3 | -177.3 | 63.9 | 0 | 0 | 0 | 111.9 | F46 Y59 F60 A61 Q65 H66 F67 L82 W85 | F46-L63 HydrophobicContact CD1-CD1 3.85Å; F46-L63 HydrophobicContact CD2-CD1 4.3Å; F46-L63 HydrophobicContact CE1-CB 3.95Å; F46-L63 HydrophobicContact CE1-CD1 3.98Å; F46-L63 HydrophobicContact CE2-CD1 4.42Å; F46-L63 HydrophobicContact CG-CD1 4Å; F46-L63 HydrophobicContact CZ-CB 3.86Å; F46-L63 HydrophobicContact CZ-CD1 4.24Å; Y59-L63 HydrophobicContact CE1-CD2 4.24Å; Y59-L63 WeakPolarHBondContact O-CB 3.38Å; Y59-L63 PolarHBondContact O-N 3.44Å; F60-L63 PolarHBondContact O-N 3.38Å; A61-L63 VanDerWaalsContact C-N 3.31Å; A61-L63 PolarHBondContact O-N 2.97Å; L63-Q65 PolarHBondContact O-N 3.34Å; L63-H66 WeakPolarHBondContact O-CB 3.42Å; L63-H66 PolarHBondContact O-N 3.28Å; L63-H66 VanDerWaalsContact O-N 3.17Å; L63-F67 HydrophobicContact CD1-CE1 3.9Å; L63-F67 HydrophobicContact CD1-CE2 4.08Å; L63-F67 HydrophobicContact CD1-CZ 3.64Å; L63-F67 HydrophobicContact CD2-CE2 3.92Å; L63-F67 HydrophobicContact CD2-CZ 3.95Å; L63-F67 HydrophobicContact CG-CD2 4.22Å; L63-F67 HydrophobicContact CG-CE1 4.36Å; L63-F67 HydrophobicContact CG-CE2 3.63Å; L63-F67 HydrophobicContact CG-CZ 3.71Å; L63-F67 WeakPolarHBondContact O-CG 3.43Å; L63-F67 PolarHBondContact O-N 2.93Å; L63-L82 HydrophobicContact CD2-CB 4.04Å; L63-L82 HydrophobicContact CD2-CD1 3.41Å; L63-L82 VanDerWaalsContact CD2-CD1 3.41Å; L63-L82 HydrophobicContact CD2-CG 4.29Å; L63-W85 HydrophobicContact CD1-CE3 3.66Å; L63-W85 HydrophobicContact CD1-CZ3 3.79Å |
| 64 | G | 94 | Very high | 93.4 | Very high | 35 Ų | 35 | 74.2 Ų | 74.2 | 36% | 0.361 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F60 A61 H66 F67 E68 | F60-G64 PolarHBondContact O-N 3.19Å; A61-G64 PolarHBondContact O-N 2.89Å; G64-H66 VanDerWaalsContact C-N 3.31Å; G64-H66 PolarHBondContact O-N 2.93Å; G64-F67 PolarHBondContact O-N 3.45Å; G64-E68 PolarHBondContact O-N 2.71Å |
| 65 | Q | 95.1 | Very high | 93.2 | Very high | 140 Ų | 140 | 77.6 Ų | 77.6 | 65% | 0.654 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.8 | -38.1 | 174.4 | -65.9 | -59.1 | -34.9 | 0 | 0 | 112.1 | A61 R62 L63 F67 E68 A69 | A61-Q65 PolarHBondContact O-N 3.39Å; R62-Q65 PolarHBondContact O-N 2.91Å; L63-Q65 PolarHBondContact O-N 3.34Å; Q65-F67 VanDerWaalsContact C-N 3.35Å; Q65-F67 PolarHBondContact O-N 2.93Å; Q65-E68 PolarHBondContact O-N 2.95Å; Q65-A69 WeakPolarHBondContact O-CB 3.38Å; Q65-A69 PolarHBondContact O-N 3.2Å |
| 66 | H | 93.8 | Very high | 92.9 | Very high | 28 Ų | 28 | 79.8 Ų | 79.8 | 13% | 0.13 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64 | -39.8 | 175.9 | -167.9 | 75.8 | 0 | 0 | 0 | 112.2 | P44 F46 R62 L63 G64 H70 W85 | P44-H66 PolarHBondContact O-NE2 2.77Å; F46-H66 HydrophobicContact CD2-CB 3.84Å; F46-H66 AromaticContact CD2-CD2 3.89Å; F46-H66 AromaticContact CD2-CG 3.66Å; F46-H66 AromaticContact CD2-ND1 3.94Å; F46-H66 HydrophobicContact CE2-CB 3.79Å; R62-H66 PolarHBondContact O-N 2.93Å; L63-H66 WeakPolarHBondContact O-CB 3.42Å; L63-H66 PolarHBondContact O-N 3.28Å; L63-H66 VanDerWaalsContact O-N 3.17Å; G64-H66 VanDerWaalsContact C-N 3.31Å; G64-H66 PolarHBondContact O-N 2.93Å; H66-H70 AromaticContact CD2-ND1 3.9Å; H66-H70 AromaticContact CE1-CE1 3.26Å; H66-H70 PolarHBondContact CE1-CE1 3.24Å; H66-H70 AromaticContact CE1-ND1 3.53Å; H66-H70 AromaticContact CG-ND1 3.77Å; H66-H70 AromaticContact ND1-CE1 3.37Å; H66-H70 PolarHBondContact ND1-CE1 3.31Å; H66-H70 AromaticContact ND1-ND1 3.53Å; H66-H70 AromaticContact NE2-CE1 3.9Å; H66-H70 AromaticContact NE2-ND1 3.76Å; H66-H70 PolarHBondContact O-N 3.46Å; H66-H70 PolarHBondContact O-ND1 3.06Å; H66-W85 AromaticContact CD2-CH2 3.74Å; H66-W85 AromaticContact CD2-CZ3 3.65Å; H66-W85 AromaticContact NE2-CH2 3.69Å |
| 67 | F | 94.1 | Very high | 92.8 | Very high | 16 Ų | 16 | 80 Ų | 80 | 7% | 0.07 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65 | -41.3 | 174.4 | -69.7 | -29.3 | 0 | 0 | 0 | 112.7 | L63 G64 Q65 H70 R71 V72 K78 F81 W85 | L63-F67 HydrophobicContact CD1-CE1 3.9Å; L63-F67 HydrophobicContact CD1-CE2 4.08Å; L63-F67 HydrophobicContact CD1-CZ 3.64Å; L63-F67 HydrophobicContact CD2-CE2 3.92Å; L63-F67 HydrophobicContact CD2-CZ 3.95Å; L63-F67 HydrophobicContact CG-CD2 4.22Å; L63-F67 HydrophobicContact CG-CE1 4.36Å; L63-F67 HydrophobicContact CG-CE2 3.63Å; L63-F67 HydrophobicContact CG-CZ 3.71Å; L63-F67 WeakPolarHBondContact O-CG 3.43Å; L63-F67 PolarHBondContact O-N 2.93Å; G64-F67 PolarHBondContact O-N 3.45Å; Q65-F67 VanDerWaalsContact C-N 3.35Å; Q65-F67 PolarHBondContact O-N 2.93Å; F67-H70 CarbonylContact O-C 3.54Å; F67-H70 PolarHBondContact O-N 3.44Å; F67-R71 PolarHBondContact O-N 3.37Å; F67-V72 HydrophobicContact CB-CB 3.96Å; F67-V72 HydrophobicContact CD1-CB 3.82Å; F67-V72 HydrophobicContact CD1-CG1 3.98Å; F67-V72 HydrophobicContact CD1-CG2 3.91Å; F67-V72 HydrophobicContact CE1-CG1 4.44Å; F67-V72 HydrophobicContact CG-CB 4.12Å; F67-V72 HydrophobicContact CG-CG1 4.37Å; F67-V72 PolarHBondContact O-N 2.88Å; F67-K78 HydrophobicContact CD2-CB 4.01Å; F67-K78 HydrophobicContact CD2-CD 4.12Å; F67-K78 HydrophobicContact CD2-CG 3.73Å; F67-K78 HydrophobicContact CE2-CB 3.71Å; F67-K78 HydrophobicContact CE2-CG 3.98Å; F67-K78 HydrophobicContact CG-CG 4.1Å; F67-K78 HydrophobicContact CZ-CB 4.17Å; F67-K78 VanDerWaalsContact CZ-O 3.29Å; F67-K78 WeakPolarHBondContact CZ-O 3.49Å; F67-F81 HydrophobicContact CD1-CD2 4.46Å; F67-F81 HydrophobicContact CE1-CB 3.48Å; F67-F81 VanDerWaalsContact CE1-CB 3.48Å; F67-F81 AromaticContact CE1-CD2 3.86Å; F67-F81 HydrophobicContact CE1-CD2 3.86Å; F67-F81 HydrophobicContact CE1-CG 4.04Å; F67-F81 HydrophobicContact CZ-CB 3.73Å; F67-W85 AromaticContact CE1-CZ3 3.79Å; F67-W85 HydrophobicContact CE1-CZ3 3.79Å |
| 68 | E | 92.7 | Very high | 92.6 | Very high | 144 Ų | 144 | 77.4 Ų | 77.4 | 67% | 0.673 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.7 | -48.6 | 177.5 | -166.3 | 60.4 | -153.6 | 0 | 0 | 111 | G64 Q65 H70 R71 | G64-E68 PolarHBondContact O-N 2.71Å; Q65-E68 PolarHBondContact O-N 2.95Å; E68-H70 PolarHBondContact O-N 3.41Å; E68-R71 PolarHBondContact O-N 3.47Å; E68-R71 VanDerWaalsContact O-N 3.12Å |
| 69 | A | 92.5 | Very high | 92.4 | Very high | 75 Ų | 75 | 81.6 Ų | 81.6 | 62% | 0.62 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -57.6 | -34.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q65 | Q65-A69 WeakPolarHBondContact O-CB 3.38Å; Q65-A69 PolarHBondContact O-N 3.2Å |
| 70 | H | 91.1 | Very high | 92.1 | Very high | 61 Ų | 61 | 84.3 Ų | 84.3 | 28% | 0.282 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 13.8 | -177.8 | -59.1 | 95.4 | 0 | 0 | 0 | 114 | V43 P44 H66 F67 E68 V72 | V43-H70 HydrophobicContact CG1-CB 3.76Å; V43-H70 HydrophobicContact CG2-CB 4.24Å; P44-H70 WeakPolarHBondContact CD-CD2 3.32Å; P44-H70 WeakPolarHBondContact CD-NE2 3.36Å; P44-H70 WeakPolarHBondContact CG-NE2 3.38Å; H66-H70 AromaticContact CD2-ND1 3.9Å; H66-H70 AromaticContact CE1-CE1 3.26Å; H66-H70 PolarHBondContact CE1-CE1 3.24Å; H66-H70 AromaticContact CE1-ND1 3.53Å; H66-H70 AromaticContact CG-ND1 3.77Å; H66-H70 AromaticContact ND1-CE1 3.37Å; H66-H70 PolarHBondContact ND1-CE1 3.31Å; H66-H70 AromaticContact ND1-ND1 3.53Å; H66-H70 AromaticContact NE2-CE1 3.9Å; H66-H70 AromaticContact NE2-ND1 3.76Å; H66-H70 PolarHBondContact O-N 3.46Å; H66-H70 PolarHBondContact O-ND1 3.06Å; F67-H70 CarbonylContact O-C 3.54Å; F67-H70 PolarHBondContact O-N 3.44Å; E68-H70 PolarHBondContact O-N 3.41Å; H70-V72 HydrophobicContact CB-CG2 4.31Å; H70-V72 PolarHBondContact O-N 2.96Å |
| 71 | R | 90 | Very high | 92 | Very high | 213 Ų | 213 | 80.9 Ų | 80.9 | 80% | 0.804 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 40.5 | 177.1 | -55.6 | -177.5 | 179.3 | -179.5 | -0.6 | 113 | F67 E68 V73 | F67-R71 PolarHBondContact O-N 3.37Å; E68-R71 PolarHBondContact O-N 3.47Å; E68-R71 VanDerWaalsContact O-N 3.12Å; R71-V73 PolarHBondContact O-N 2.9Å; R71-V73 VanDerWaalsContact O-N 3.09Å |
| 72 | V | 89.3 | Confident | 91.9 | Very high | 4 Ų | 4 | 79.4 Ų | 79.4 | 2% | 0.024 | 40% | 0.401 | C | S | . | . | trans | -80.4 | 89.1 | 172.6 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | V43 F67 H70 R77 K78 F81 | V43-V72 HydrophobicContact CG1-CG2 4.32Å; V43-V72 HydrophobicContact CG2-CG2 3.72Å; F67-V72 HydrophobicContact CB-CB 3.96Å; F67-V72 HydrophobicContact CD1-CB 3.82Å; F67-V72 HydrophobicContact CD1-CG1 3.98Å; F67-V72 HydrophobicContact CD1-CG2 3.91Å; F67-V72 HydrophobicContact CE1-CG1 4.44Å; F67-V72 HydrophobicContact CG-CB 4.12Å; F67-V72 HydrophobicContact CG-CG1 4.37Å; F67-V72 PolarHBondContact O-N 2.88Å; H70-V72 HydrophobicContact CB-CG2 4.31Å; H70-V72 PolarHBondContact O-N 2.96Å; V72-R77 HydrophobicContact CG1-CB 4.03Å; V72-R77 HydrophobicContact CG1-CG 3.92Å; V72-K78 HydrophobicContact CG1-CG 3.75Å; V72-K78 WeakPolarHBondContact O-CE 3.29Å; V72-F81 HydrophobicContact CG1-CD2 3.86Å; V72-F81 HydrophobicContact CG1-CE2 3.97Å; V72-F81 HydrophobicContact CG2-CD2 4.15Å; V72-F81 HydrophobicContact CG2-CE2 3.81Å | ||
| 73 | V | 88.7 | Confident | 91.6 | Very high | 116 Ų | 116 | 79.2 Ų | 79.2 | 70% | 0.703 | 41% | 0.405 | S | S | * | . | trans | -85 | -42 | -174.1 | -176.3 | 0 | 0 | 0 | 0 | 112.5 | R71 | R71-V73 PolarHBondContact O-N 2.9Å; R71-V73 VanDerWaalsContact O-N 3.09Å | ||
| 74 | S | 89.5 | Confident | 91.4 | Very high | 62 Ų | 62 | 83.4 Ų | 83.4 | 43% | 0.434 | 44% | 0.435 | S | S | . | . | trans | -74.8 | 131.1 | -171.7 | 57.2 | 0 | 0 | 0 | 0 | 112.8 | N76 R77 K78 | S74-N76 VanDerWaalsContact C-N 3.26Å; S74-N76 PolarHBondContact O-N 3.34Å; S74-R77 WeakPolarHBondContact O-CA 3.38Å; S74-R77 WeakPolarHBondContact O-CB 3.28Å; S74-R77 PolarHBondContact O-N 3.33Å; S74-R77 WeakPolarHBondContact OG-CB 3.26Å; S74-K78 PolarHBondContact O-N 2.98Å | ||
| 75 | D | 90.3 | Very high | 91.4 | Very high | 106 Ų | 106 | 83 Ų | 83 | 57% | 0.567 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60 | -37.4 | -179.6 | -65.6 | -37.3 | 0 | 0 | 0 | 112.4 | R77 K78 R79 | D75-R77 PolarHBondContact O-N 3.5Å; D75-K78 PolarHBondContact O-N 2.85Å; D75-R79 WeakPolarHBondContact O-CB 3.32Å; D75-R79 VanDerWaalsContact O-CG 3.28Å; D75-R79 WeakPolarHBondContact O-CG 3.47Å; D75-R79 PolarHBondContact O-N 3.31Å |
| 76 | N | 89.7 | Confident | 91.2 | Very high | 129 Ų | 129 | 76.4 Ų | 76.4 | 69% | 0.69 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.9 | -37.9 | 173.8 | -69.9 | -17.7 | 0 | 0 | 0 | 111.9 | S74 A80 | S74-N76 VanDerWaalsContact C-N 3.26Å; S74-N76 PolarHBondContact O-N 3.34Å; N76-A80 WeakPolarHBondContact O-CB 3.27Å; N76-A80 PolarHBondContact O-N 3.47Å |
| 77 | R | 90.1 | Very high | 91 | Very high | 93 Ų | 93 | 76.4 Ų | 76.4 | 35% | 0.351 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -77.4 | -39 | 179.6 | -165.2 | 178.4 | -177.7 | -168 | -1.9 | 111.5 | A41 V72 S74 D75 R79 A80 F81 | A41-R77 PolarHBondContact O-NH2 2.64Å; A41-R77 VanDerWaalsContact O-NH2 3.15Å; V72-R77 HydrophobicContact CG1-CB 4.03Å; V72-R77 HydrophobicContact CG1-CG 3.92Å; S74-R77 WeakPolarHBondContact O-CA 3.38Å; S74-R77 WeakPolarHBondContact O-CB 3.28Å; S74-R77 PolarHBondContact O-N 3.33Å; S74-R77 WeakPolarHBondContact OG-CB 3.26Å; D75-R77 PolarHBondContact O-N 3.5Å; R77-R79 VanDerWaalsContact C-N 3.34Å; R77-R79 PolarHBondContact O-N 3.32Å; R77-A80 PolarHBondContact O-N 3.42Å; R77-F81 HydrophobicContact CG-CD2 3.88Å; R77-F81 HydrophobicContact CG-CE2 3.46Å; R77-F81 VanDerWaalsContact CG-CE2 3.46Å; R77-F81 HydrophobicContact CG-CZ 4.25Å; R77-F81 WeakPolarHBondContact O-CD2 3.35Å; R77-F81 PolarHBondContact O-N 2.72Å |
| 78 | K | 92.4 | Very high | 90.8 | Very high | 69 Ų | 69 | 79.9 Ų | 79.9 | 30% | 0.3 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.6 | -47.1 | 170.9 | -66.6 | -179.3 | -177.1 | 171 | 0 | 111.1 | F67 V72 S74 D75 F81 L82 | F67-K78 HydrophobicContact CD2-CB 4.01Å; F67-K78 HydrophobicContact CD2-CD 4.12Å; F67-K78 HydrophobicContact CD2-CG 3.73Å; F67-K78 HydrophobicContact CE2-CB 3.71Å; F67-K78 HydrophobicContact CE2-CG 3.98Å; F67-K78 HydrophobicContact CG-CG 4.1Å; F67-K78 HydrophobicContact CZ-CB 4.17Å; F67-K78 VanDerWaalsContact CZ-O 3.29Å; F67-K78 WeakPolarHBondContact CZ-O 3.49Å; V72-K78 HydrophobicContact CG1-CG 3.75Å; V72-K78 WeakPolarHBondContact O-CE 3.29Å; S74-K78 PolarHBondContact O-N 2.98Å; D75-K78 PolarHBondContact O-N 2.85Å; K78-F81 PolarHBondContact O-N 3.41Å; K78-L82 WeakPolarHBondContact O-CB 3.12Å; K78-L82 PolarHBondContact O-N 3.08Å |
| 79 | R | 91.3 | Very high | 90.6 | Very high | 166 Ų | 166 | 79.7 Ų | 79.7 | 63% | 0.626 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -60.3 | -47.7 | 175.6 | -74.1 | 174.7 | 178.7 | 176.2 | -1.3 | 111.9 | D75 R77 F81 L82 L83 | D75-R79 WeakPolarHBondContact O-CB 3.32Å; D75-R79 VanDerWaalsContact O-CG 3.28Å; D75-R79 WeakPolarHBondContact O-CG 3.47Å; D75-R79 PolarHBondContact O-N 3.31Å; R77-R79 VanDerWaalsContact C-N 3.34Å; R77-R79 PolarHBondContact O-N 3.32Å; R79-F81 PolarHBondContact O-N 3.07Å; R79-L82 PolarHBondContact O-N 3.36Å; R79-L83 WeakPolarHBondContact O-CB 3.26Å; R79-L83 WeakPolarHBondContact O-CG 3.32Å; R79-L83 PolarHBondContact O-N 2.93Å |
| 80 | A | 90.1 | Very high | 90.5 | Very high | 58 Ų | 58 | 77.1 Ų | 77.1 | 48% | 0.479 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N76 R77 S84 | N76-A80 WeakPolarHBondContact O-CB 3.27Å; N76-A80 PolarHBondContact O-N 3.47Å; R77-A80 PolarHBondContact O-N 3.42Å; A80-S84 WeakPolarHBondContact O-CB 3.34Å; A80-S84 PolarHBondContact O-N 2.89Å |
| 81 | F | 91.8 | Very high | 90.4 | Very high | 39 Ų | 39 | 77.5 Ų | 77.5 | 17% | 0.171 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 176.9 | -75.5 | -51.6 | 0 | 0 | 0 | 113.1 | V43 F67 V72 R77 K78 R79 L83 S84 W85 | V43-F81 HydrophobicContact CB-CE1 4.07Å; V43-F81 HydrophobicContact CB-CE2 4.11Å; V43-F81 HydrophobicContact CB-CZ 3.69Å; V43-F81 HydrophobicContact CG2-CE1 4.25Å; V43-F81 HydrophobicContact CG2-CE2 3.55Å; V43-F81 HydrophobicContact CG2-CZ 3.37Å; F67-F81 HydrophobicContact CD1-CD2 4.46Å; F67-F81 HydrophobicContact CE1-CB 3.48Å; F67-F81 VanDerWaalsContact CE1-CB 3.48Å; F67-F81 AromaticContact CE1-CD2 3.86Å; F67-F81 HydrophobicContact CE1-CD2 3.86Å; F67-F81 HydrophobicContact CE1-CG 4.04Å; F67-F81 HydrophobicContact CZ-CB 3.73Å; V72-F81 HydrophobicContact CG1-CD2 3.86Å; V72-F81 HydrophobicContact CG1-CE2 3.97Å; V72-F81 HydrophobicContact CG2-CD2 4.15Å; V72-F81 HydrophobicContact CG2-CE2 3.81Å; R77-F81 HydrophobicContact CG-CD2 3.88Å; R77-F81 HydrophobicContact CG-CE2 3.46Å; R77-F81 VanDerWaalsContact CG-CE2 3.46Å; R77-F81 HydrophobicContact CG-CZ 4.25Å; R77-F81 WeakPolarHBondContact O-CD2 3.35Å; R77-F81 PolarHBondContact O-N 2.72Å; K78-F81 PolarHBondContact O-N 3.41Å; R79-F81 PolarHBondContact O-N 3.07Å; F81-L83 PolarHBondContact O-N 2.95Å; F81-S84 PolarHBondContact O-N 2.6Å; F81-W85 HydrophobicContact CB-CD2 4.45Å; F81-W85 HydrophobicContact CB-CE3 3.91Å; F81-W85 HydrophobicContact CB-CH2 4.03Å; F81-W85 HydrophobicContact CB-CZ3 3.7Å; F81-W85 AromaticContact CD1-CH2 3.74Å; F81-W85 HydrophobicContact CD1-CH2 3.74Å; F81-W85 AromaticContact CD1-CZ2 3.74Å; F81-W85 HydrophobicContact CD1-CZ2 3.74Å; F81-W85 HydrophobicContact CD1-CZ3 4.29Å; F81-W85 HydrophobicContact CE1-CH2 4.34Å; F81-W85 HydrophobicContact CE1-CZ2 4.24Å; F81-W85 AromaticContact CG-CH2 3.9Å; F81-W85 HydrophobicContact CG-CH2 3.9Å; F81-W85 HydrophobicContact CG-CZ2 4.34Å; F81-W85 HydrophobicContact CG-CZ3 4.07Å; F81-W85 WeakPolarHBondContact O-CB 3.49Å; F81-W85 PolarHBondContact O-N 2.91Å |
| 82 | L | 92.8 | Very high | 90.3 | Very high | 30 Ų | 30 | 71.9 Ų | 71.9 | 16% | 0.157 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -55 | -53.1 | 174.4 | 171.5 | 65 | 0 | 0 | 0 | 110.2 | W56 Y59 F60 L63 K78 R79 S84 W85 V86 | W56-L82 HydrophobicContact CH2-CD1 4.32Å; Y59-L82 HydrophobicContact CE1-CD1 3.99Å; F60-L82 HydrophobicContact CE2-CD2 4.39Å; L63-L82 HydrophobicContact CD2-CB 4.04Å; L63-L82 HydrophobicContact CD2-CD1 3.41Å; L63-L82 VanDerWaalsContact CD2-CD1 3.41Å; L63-L82 HydrophobicContact CD2-CG 4.29Å; K78-L82 WeakPolarHBondContact O-CB 3.12Å; K78-L82 PolarHBondContact O-N 3.08Å; R79-L82 PolarHBondContact O-N 3.36Å; L82-S84 VanDerWaalsContact C-N 3.26Å; L82-S84 PolarHBondContact O-N 3.26Å; L82-W85 PolarHBondContact O-N 3.18Å; L82-V86 HydrophobicContact CD1-CB 4.44Å; L82-V86 HydrophobicContact CD1-CG2 4.45Å; L82-V86 VanDerWaalsContact O-CB 3.26Å; L82-V86 WeakPolarHBondContact O-CB 3.38Å; L82-V86 PolarHBondContact O-N 3.34Å |
| 83 | L | 90.7 | Very high | 90.3 | Very high | 78 Ų | 78 | 76.4 Ų | 76.4 | 41% | 0.408 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.2 | -31.6 | -179.6 | -67.6 | 175 | 0 | 0 | 0 | 112.6 | R79 F81 F91 L94 | R79-L83 WeakPolarHBondContact O-CB 3.26Å; R79-L83 WeakPolarHBondContact O-CG 3.32Å; R79-L83 PolarHBondContact O-N 2.93Å; F81-L83 PolarHBondContact O-N 2.95Å; L83-F91 HydrophobicContact CB-CD2 4.11Å; L83-F91 HydrophobicContact CB-CE2 4.02Å; L83-F91 HydrophobicContact CD2-CD2 3.86Å; L83-F91 HydrophobicContact CD2-CE2 3.95Å; L83-F91 HydrophobicContact CG-CE2 4.37Å; L83-L94 HydrophobicContact CD2-CD1 4.13Å |
| 84 | S | 89.9 | Confident | 90.2 | Very high | 89 Ų | 89 | 72.3 Ų | 72.3 | 62% | 0.622 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -72.5 | -29.9 | 175.8 | -175.9 | 0 | 0 | 0 | 0 | 113.6 | A80 F81 L82 | A80-S84 WeakPolarHBondContact O-CB 3.34Å; A80-S84 PolarHBondContact O-N 2.89Å; F81-S84 PolarHBondContact O-N 2.6Å; L82-S84 VanDerWaalsContact C-N 3.26Å; L82-S84 PolarHBondContact O-N 3.26Å |
| 85 | W | 92.8 | Very high | 90 | Very high | 28 Ų | 28 | 74.1 Ų | 74.1 | 11% | 0.106 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -106 | -20.6 | -172.9 | -66.2 | -34.6 | 0 | 0 | 0 | 114.6 | V43 P44 F46 P48 L63 H66 F67 F81 L82 G87 | V43-W85 HydrophobicContact CB-CH2 4.17Å; V43-W85 HydrophobicContact CG1-CH2 3.57Å; V43-W85 HydrophobicContact CG1-CZ2 4.31Å; P44-W85 WeakPolarHBondContact O-CH2 3.17Å; P44-W85 VanDerWaalsContact O-CZ2 3.23Å; P44-W85 WeakPolarHBondContact O-CZ2 3.36Å; F46-W85 HydrophobicContact CB-CB 4.3Å; F46-W85 HydrophobicContact CB-CD2 3.45Å; F46-W85 VanDerWaalsContact CB-CD2 3.45Å; F46-W85 HydrophobicContact CB-CE3 3.3Å; F46-W85 HydrophobicContact CB-CG 3.91Å; F46-W85 HydrophobicContact CB-CH2 4.23Å; F46-W85 HydrophobicContact CB-CZ2 4.36Å; F46-W85 HydrophobicContact CB-CZ3 3.71Å; F46-W85 HydrophobicContact CD1-CE3 4.48Å; F46-W85 HydrophobicContact CG-CE3 4.1Å; F46-W85 HydrophobicContact CG-CZ3 4.47Å; P48-W85 WeakPolarHBondContact CA-O 3.27Å; P48-W85 VanDerWaalsContact CB-O 3.27Å; P48-W85 WeakPolarHBondContact CB-O 3.38Å; L63-W85 HydrophobicContact CD1-CE3 3.66Å; L63-W85 HydrophobicContact CD1-CZ3 3.79Å; H66-W85 AromaticContact CD2-CH2 3.74Å; H66-W85 AromaticContact CD2-CZ3 3.65Å; H66-W85 AromaticContact NE2-CH2 3.69Å; F67-W85 AromaticContact CE1-CZ3 3.79Å; F67-W85 HydrophobicContact CE1-CZ3 3.79Å; F81-W85 HydrophobicContact CB-CD2 4.45Å; F81-W85 HydrophobicContact CB-CE3 3.91Å; F81-W85 HydrophobicContact CB-CH2 4.03Å; F81-W85 HydrophobicContact CB-CZ3 3.7Å; F81-W85 AromaticContact CD1-CH2 3.74Å; F81-W85 HydrophobicContact CD1-CH2 3.74Å; F81-W85 AromaticContact CD1-CZ2 3.74Å; F81-W85 HydrophobicContact CD1-CZ2 3.74Å; F81-W85 HydrophobicContact CD1-CZ3 4.29Å; F81-W85 HydrophobicContact CE1-CH2 4.34Å; F81-W85 HydrophobicContact CE1-CZ2 4.24Å; F81-W85 AromaticContact CG-CH2 3.9Å; F81-W85 HydrophobicContact CG-CH2 3.9Å; F81-W85 HydrophobicContact CG-CZ2 4.34Å; F81-W85 HydrophobicContact CG-CZ3 4.07Å; F81-W85 WeakPolarHBondContact O-CB 3.49Å; F81-W85 PolarHBondContact O-N 2.91Å; L82-W85 PolarHBondContact O-N 3.18Å; W85-G87 PolarHBondContact O-N 2.96Å |
| 86 | V | 91.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -61.1 | -14.2 | -173.8 | 75.7 | 0 | 0 | 0 | 0 | 114.5 | F49 W56 Y59 L82 T90 F91 L94 | F49-V86 HydrophobicContact CB-CG2 4.18Å; W56-V86 HydrophobicContact CH2-CG2 3.62Å; W56-V86 HydrophobicContact CZ3-CG2 3.59Å; Y59-V86 HydrophobicContact CE1-CG2 4.22Å; Y59-V86 WeakPolarHBondContact OH-CA 3.45Å; L82-V86 HydrophobicContact CD1-CB 4.44Å; L82-V86 HydrophobicContact CD1-CG2 4.45Å; L82-V86 VanDerWaalsContact O-CB 3.26Å; L82-V86 WeakPolarHBondContact O-CB 3.38Å; L82-V86 PolarHBondContact O-N 3.34Å; V86-T90 HydrophobicContact CB-CG2 4.5Å; V86-T90 HydrophobicContact CG1-CG2 4.5Å; V86-T90 HydrophobicContact CG2-CG2 3.36Å; V86-T90 PolarHBondContact O-OG1 2.96Å; V86-F91 HydrophobicContact CG1-CB 4.02Å; V86-L94 HydrophobicContact CG1-CD1 4.29Å |
| 87 | G | 89.7 | Confident | 89.6 | Confident | 28 Ų | 28 | 74.9 Ų | 74.9 | 29% | 0.289 | 39% | 0.385 | S | S | . | . | trans | 87.9 | 155 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | W85 D89 T90 F91 | W85-G87 PolarHBondContact O-N 2.96Å; G87-D89 PolarHBondContact O-N 3.35Å; G87-T90 PolarHBondContact O-N 2.91Å; G87-F91 VanDerWaalsContact O-CB 3.31Å; G87-F91 WeakPolarHBondContact O-CB 3.31Å; G87-F91 PolarHBondContact O-N 3.26Å | ||
| 88 | S | 89 | Confident | 89 | Confident | 90 Ų | 90 | 76.2 Ų | 76.2 | 63% | 0.629 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -58.7 | -46.7 | -171.3 | -53.1 | 0 | 0 | 0 | 0 | 113.1 | T90 F91 E92 | S88-T90 PolarHBondContact O-N 3.19Å; S88-F91 WeakPolarHBondContact O-CB 3.48Å; S88-F91 PolarHBondContact O-N 2.83Å; S88-E92 PolarHBondContact O-N 3.39Å |
| 89 | D | 89.2 | Confident | 87.7 | Confident | 139 Ų | 139 | 77.1 Ų | 77.1 | 74% | 0.743 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -60.7 | -45 | -177.1 | -59.8 | -14.2 | 0 | 0 | 0 | 111.9 | G87 L93 | G87-D89 PolarHBondContact O-N 3.35Å; D89-L93 PolarHBondContact O-N 3.4Å |
| 90 | T | 89.5 | Confident | 86.1 | Confident | 21 Ų | 21 | 72.6 Ų | 72.6 | 13% | 0.129 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -71.7 | -37.3 | 178.5 | -42.3 | 0 | 0 | 0 | 0 | 111.1 | F49 W56 V86 G87 S88 L93 L94 | F49-T90 HydrophobicContact CD1-CG2 4.26Å; W56-T90 HydrophobicContact CH2-CG2 4.28Å; W56-T90 HydrophobicContact CZ3-CG2 3.87Å; V86-T90 HydrophobicContact CB-CG2 4.5Å; V86-T90 HydrophobicContact CG1-CG2 4.5Å; V86-T90 HydrophobicContact CG2-CG2 3.36Å; V86-T90 PolarHBondContact O-OG1 2.96Å; G87-T90 PolarHBondContact O-N 2.91Å; S88-T90 PolarHBondContact O-N 3.19Å; T90-L93 PolarHBondContact O-N 3.41Å; T90-L94 HydrophobicContact CG2-CD1 4.43Å; T90-L94 VanDerWaalsContact O-CG 3.26Å; T90-L94 WeakPolarHBondContact O-CG 3.33Å; T90-L94 PolarHBondContact O-N 2.89Å |
| 91 | F | 89.3 | Confident | 84.3 | Confident | 69 Ų | 69 | 77 Ų | 77 | 30% | 0.303 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 175 | 179.4 | -96.7 | 0 | 0 | 0 | 111.3 | L83 V86 G87 S88 L93 L94 Q95 | L83-F91 HydrophobicContact CB-CD2 4.11Å; L83-F91 HydrophobicContact CB-CE2 4.02Å; L83-F91 HydrophobicContact CD2-CD2 3.86Å; L83-F91 HydrophobicContact CD2-CE2 3.95Å; L83-F91 HydrophobicContact CG-CE2 4.37Å; V86-F91 HydrophobicContact CG1-CB 4.02Å; G87-F91 VanDerWaalsContact O-CB 3.31Å; G87-F91 WeakPolarHBondContact O-CB 3.31Å; G87-F91 PolarHBondContact O-N 3.26Å; S88-F91 WeakPolarHBondContact O-CB 3.48Å; S88-F91 PolarHBondContact O-N 2.83Å; F91-L93 VanDerWaalsContact C-N 3.34Å; F91-L93 PolarHBondContact O-N 2.86Å; F91-L94 PolarHBondContact O-N 3.22Å; F91-Q95 HydrophobicContact CD1-CG 4.2Å; F91-Q95 HydrophobicContact CE1-CG 3.79Å; F91-Q95 VanDerWaalsContact CE1-OE1 3.27Å; F91-Q95 HydrophobicContact CZ-CG 3.97Å; F91-Q95 WeakPolarHBondContact O-CG 3.26Å; F91-Q95 PolarHBondContact O-N 2.77Å |
| 92 | E | 89.2 | Confident | 82.2 | Confident | 95 Ų | 95 | 83.3 Ų | 83.3 | 44% | 0.444 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.8 | -40.6 | 174.2 | -76.1 | -170.6 | -163.2 | 0 | 0 | 112.5 | S88 Q95 K96 | S88-E92 PolarHBondContact O-N 3.39Å; E92-Q95 PolarHBondContact O-N 3.3Å; E92-K96 WeakPolarHBondContact O-CG 3.02Å; E92-K96 PolarHBondContact O-N 2.91Å; E92-K96 IonicContact OE2-NZ 3.61Å |
| 93 | L | 88 | Confident | 80.1 | Confident | 100 Ų | 100 | 86.2 Ų | 86.2 | 52% | 0.524 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.9 | -46.5 | 175.9 | -177.1 | 67.5 | 0 | 0 | 0 | 111 | D89 T90 F91 Q95 K96 L97 | D89-L93 PolarHBondContact O-N 3.4Å; T90-L93 PolarHBondContact O-N 3.41Å; F91-L93 VanDerWaalsContact C-N 3.34Å; F91-L93 PolarHBondContact O-N 2.86Å; L93-Q95 VanDerWaalsContact C-N 3.34Å; L93-Q95 PolarHBondContact O-N 2.8Å; L93-K96 PolarHBondContact O-N 3.07Å; L93-L97 HydrophobicContact CG-CD1 4.22Å; L93-L97 VanDerWaalsContact O-CG 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.3Å; L93-L97 PolarHBondContact O-N 2.86Å |
| 94 | L | 86.9 | Confident | 78 | Confident | 30 Ų | 30 | 89.8 Ų | 89.8 | 16% | 0.157 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -61.5 | -43.8 | 175.7 | -67.9 | 170.7 | 0 | 0 | 0 | 110.7 | L83 V86 T90 F91 K96 L97 F98 | L83-L94 HydrophobicContact CD2-CD1 4.13Å; V86-L94 HydrophobicContact CG1-CD1 4.29Å; T90-L94 HydrophobicContact CG2-CD1 4.43Å; T90-L94 VanDerWaalsContact O-CG 3.26Å; T90-L94 WeakPolarHBondContact O-CG 3.33Å; T90-L94 PolarHBondContact O-N 2.89Å; F91-L94 PolarHBondContact O-N 3.22Å; L94-K96 PolarHBondContact O-N 3.04Å; L94-L97 PolarHBondContact O-N 3.06Å; L94-F98 HydrophobicContact CB-CD2 4.33Å; L94-F98 HydrophobicContact CB-CE2 4.25Å; L94-F98 HydrophobicContact CD2-CE2 3.96Å; L94-F98 WeakPolarHBondContact O-CD2 3.03Å; L94-F98 PolarHBondContact O-N 2.83Å |
| 95 | Q | 85.1 | Confident | 75.9 | Confident | 99 Ų | 99 | 94.8 Ų | 94.8 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.1 | -47.5 | 174.3 | -76.4 | -165.3 | -56 | 0 | 0 | 111.1 | F91 E92 L93 L97 F98 S99 | F91-Q95 HydrophobicContact CD1-CG 4.2Å; F91-Q95 HydrophobicContact CE1-CG 3.79Å; F91-Q95 VanDerWaalsContact CE1-OE1 3.27Å; F91-Q95 HydrophobicContact CZ-CG 3.97Å; F91-Q95 WeakPolarHBondContact O-CG 3.26Å; F91-Q95 PolarHBondContact O-N 2.77Å; E92-Q95 PolarHBondContact O-N 3.3Å; L93-Q95 VanDerWaalsContact C-N 3.34Å; L93-Q95 PolarHBondContact O-N 2.8Å; Q95-L97 VanDerWaalsContact C-N 3.31Å; Q95-L97 PolarHBondContact O-N 3.34Å; Q95-F98 PolarHBondContact O-N 3.5Å; Q95-S99 WeakPolarHBondContact O-CA 3.35Å; Q95-S99 WeakPolarHBondContact O-CB 3.43Å; Q95-S99 PolarHBondContact O-N 3.46Å; Q95-S99 PolarHBondContact O-OG 2.87Å |
| 96 | K | 86.8 | Confident | 73.6 | Confident | 142 Ų | 142 | 101.1 Ų | 101.1 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.3 | -38.9 | 178.5 | -73.2 | 166.4 | -175.9 | 159.7 | 0 | 112.5 | E92 L93 L94 | E92-K96 WeakPolarHBondContact O-CG 3.02Å; E92-K96 PolarHBondContact O-N 2.91Å; E92-K96 IonicContact OE2-NZ 3.61Å; L93-K96 PolarHBondContact O-N 3.07Å; L94-K96 PolarHBondContact O-N 3.04Å |
| 97 | L | 84.8 | Confident | 71.5 | Confident | 109 Ų | 109 | 107.1 Ų | 107.1 | 57% | 0.571 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.5 | -46.3 | 177.8 | -72.8 | 169.2 | 0 | 0 | 0 | 112.2 | L93 L94 Q95 | L93-L97 HydrophobicContact CG-CD1 4.22Å; L93-L97 VanDerWaalsContact O-CG 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.3Å; L93-L97 PolarHBondContact O-N 2.86Å; L94-L97 PolarHBondContact O-N 3.06Å; Q95-L97 VanDerWaalsContact C-N 3.31Å; Q95-L97 PolarHBondContact O-N 3.34Å |
| 98 | F | 78.4 | Confident | 69.1 | Low | 121 Ų | 121 | 110.3 Ų | 110.3 | 53% | 0.531 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -85.8 | -21.7 | -177.9 | -62.7 | -62.5 | 0 | 0 | 0 | 113.5 | L94 Q95 G100 E101 I103 | L94-F98 HydrophobicContact CB-CD2 4.33Å; L94-F98 HydrophobicContact CB-CE2 4.25Å; L94-F98 HydrophobicContact CD2-CE2 3.96Å; L94-F98 WeakPolarHBondContact O-CD2 3.03Å; L94-F98 PolarHBondContact O-N 2.83Å; Q95-F98 PolarHBondContact O-N 3.5Å; F98-G100 PolarHBondContact O-N 3.3Å; F98-E101 PolarHBondContact O-N 2.97Å; F98-I103 HydrophobicContact CB-CD1 4.42Å; F98-I103 WeakPolarHBondContact O-CD1 3.44Å; F98-I103 WeakPolarHBondContact O-CG1 3.43Å |
| 99 | S | 65.1 | Low | 66.6 | Low | 89 Ų | 89 | 108.6 Ų | 108.6 | 62% | 0.622 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -74.7 | -12.4 | 176.1 | -57.9 | 0 | 0 | 0 | 0 | 112.4 | Q95 | Q95-S99 WeakPolarHBondContact O-CA 3.35Å; Q95-S99 WeakPolarHBondContact O-CB 3.43Å; Q95-S99 PolarHBondContact O-N 3.46Å; Q95-S99 PolarHBondContact O-OG 2.87Å |
| 100 | G | 56.7 | Low | 64.4 | Low | 71 Ų | 71 | 107.9 Ų | 107.9 | 73% | 0.732 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -6.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115 | F98 | F98-G100 PolarHBondContact O-N 3.3Š|
| 101 | E | 52.8 | Low | 62.2 | Low | 150 Ų | 150 | 110.3 Ų | 110.3 | 70% | 0.701 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -118.4 | 90 | -179.3 | -148.3 | 179.3 | -178.1 | 0 | 0 | 108.1 | F98 I103 | F98-E101 PolarHBondContact O-N 2.97Å; E101-I103 WeakPolarHBondContact O-CG1 3.42Å; E101-I103 PolarHBondContact O-N 3.37Å |
| 102 | E | 47.1 | Very low | 59.9 | Low | 171 Ų | 171 | 117.4 Ų | 117.4 | 80% | 0.799 | 64% | 0.641 | S | S | * | * | trans | 20.3 | 63.9 | 162.3 | -156.1 | 174.7 | -147.7 | 0 | 0 | 116.2 | E104 | E102-E104 HydrophobicContact CG-CB 4.45Å; E102-E104 PolarHBondContact O-N 3.26Å | ||
| 103 | I | 49.5 | Very low | 57.6 | Low | 91 Ų | 91 | 123.4 Ų | 123.4 | 47% | 0.467 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.2 | 49.8 | 167.6 | -43.9 | -176.1 | 0 | 0 | 0 | 108.9 | F98 E101 L106 V107 | F98-I103 HydrophobicContact CB-CD1 4.42Å; F98-I103 WeakPolarHBondContact O-CD1 3.44Å; F98-I103 WeakPolarHBondContact O-CG1 3.43Å; E101-I103 WeakPolarHBondContact O-CG1 3.42Å; E101-I103 PolarHBondContact O-N 3.37Å; I103-L106 HydrophobicContact CG2-CB 4.37Å; I103-V107 HydrophobicContact CG2-CB 4.41Å; I103-V107 HydrophobicContact CG2-CG2 3.89Å |
| 104 | E | 45.7 | Very low | 55.5 | Low | 153 Ų | 153 | 121.6 Ų | 121.6 | 72% | 0.715 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.4 | -13.7 | 162.8 | -98.5 | -152.5 | 154.8 | 0 | 0 | 111.9 | E102 | E102-E104 HydrophobicContact CG-CB 4.45Å; E102-E104 PolarHBondContact O-N 3.26Å |
| 105 | F | 46.5 | Very low | 53.7 | Low | 195 Ų | 195 | 126 Ų | 126 | 86% | 0.855 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -100.6 | -16.1 | -172.7 | -142 | -94.4 | 0 | 0 | 0 | 116.1 | ||
| 106 | L | 44.1 | Very low | 51.6 | Low | 160 Ų | 160 | 130.6 Ų | 130.6 | 84% | 0.838 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -114.8 | -12.7 | -169.6 | -109.4 | 145.9 | 0 | 0 | 0 | 115.3 | I103 | I103-L106 HydrophobicContact CG2-CB 4.37Š|
| 107 | V | 47.2 | Very low | 49.9 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -118.7 | -13 | 179.5 | 178.3 | 0 | 0 | 0 | 0 | 112.5 | I103 | I103-V107 HydrophobicContact CG2-CB 4.41Å; I103-V107 HydrophobicContact CG2-CG2 3.89Å |
| 108 | S | 40.2 | Very low | 48.1 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 66% | 0.657 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -112.4 | 87.6 | 178.5 | -162 | 0 | 0 | 0 | 0 | 112 | ||
| 109 | G | 36.6 | Very low | 46.7 | Very low | 54 Ų | 54 | 136.6 Ų | 136.6 | 56% | 0.557 | 75% | 0.749 | S | S | * | * | trans | 68.2 | 100.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | A111 | G109-A111 PolarHBondContact O-N 2.95Š| ||
| 110 | A | 44 | Very low | 46.2 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 100% | 1.025 | 76% | 0.757 | S | S | * | * | S | Bend | 37.4 | -4.3 | 71.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||
| 111 | A | 41.9 | Very low | 45.9 | Very low | 73 Ų | 73 | 139 Ų | 139 | 60% | 0.603 | 75% | 0.753 | S | S | * | * | trans | -164.6 | 90.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G109 | G109-A111 PolarHBondContact O-N 2.95Š| ||
| 112 | R | 42.2 | Very low | 45.7 | Very low | 218 Ų | 218 | 136.7 Ų | 136.7 | 82% | 0.823 | 76% | 0.76 | S | S | * | * | trans | 174.9 | 111.8 | 135.4 | -95 | 162.1 | -140.9 | -112.2 | 6.2 | 111.2 | ||||
| 113 | R | 40.9 | Very low | 46 | Very low | 220 Ų | 220 | 134.3 Ų | 134.3 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | trans | 48.6 | 105.7 | 142.4 | -72.4 | -176.7 | -114.1 | -178.1 | -3.9 | 116.9 | ||||
| 114 | G | 42.4 | Very low | 45.9 | Very low | 62 Ų | 62 | 141.1 Ų | 141.1 | 64% | 0.639 | 78% | 0.777 | S | S | * | * | trans | -50.4 | 151.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q116 | G114-Q116 VanDerWaalsContact C-N 3.33Å; G114-Q116 PolarHBondContact O-N 3.39Å | ||
| 115 | P | 49.2 | Very low | 46.7 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -69.2 | 99.3 | 169.3 | 29 | -28.2 | 0 | 0 | 0 | 106.6 | L117 | P115-L117 PolarHBondContact O-N 3.45Š| ||
| 116 | Q | 42.6 | Very low | 47.4 | Very low | 194 Ų | 194 | 135.6 Ų | 135.6 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | trans | -61.5 | 92.9 | 155 | -80.6 | -148.8 | 85.4 | 0 | 0 | 106.4 | G114 | G114-Q116 VanDerWaalsContact C-N 3.33Å; G114-Q116 PolarHBondContact O-N 3.39Å | ||
| 117 | L | 50.7 | Low | 48 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | trans | -55.9 | 130.6 | 161.6 | -83.1 | 158.5 | 0 | 0 | 0 | 107.2 | P115 R119 | P115-L117 PolarHBondContact O-N 3.45Å; L117-R119 PolarHBondContact O-N 3.24Å | ||
| 118 | P | 47 | Very low | 49 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | trans | -59.5 | 128 | -179.7 | 24.6 | -31.2 | 0 | 0 | 0 | 108.2 | V120 | P118-V120 PolarHBondContact O-N 2.73Š| ||
| 119 | R | 47.4 | Very low | 50.1 | Low | 247 Ų | 247 | 137 Ų | 137 | 93% | 0.932 | 78% | 0.781 | S | S | * | * | trans | -55.7 | 95.4 | 162.7 | -83.8 | 175.4 | 73.6 | 175.6 | 2.9 | 106.6 | L117 A121 | L117-R119 PolarHBondContact O-N 3.24Å; R119-A121 PolarHBondContact O-N 2.59Å | ||
| 120 | V | 55 | Low | 51.5 | Low | 132 Ų | 132 | 140.5 Ų | 140.5 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -60.5 | 112.3 | 165.2 | 176.8 | 0 | 0 | 0 | 0 | 105 | P118 A122 | P118-V120 PolarHBondContact O-N 2.73Å; V120-A122 PolarHBondContact O-N 2.81Å | ||
| 121 | A | 51.1 | Low | 52.3 | Low | 77 Ų | 77 | 146.9 Ų | 146.9 | 64% | 0.636 | 80% | 0.801 | S | S | * | * | trans | -50.2 | 129.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | R119 T123 | R119-A121 PolarHBondContact O-N 2.59Å; A121-T123 PolarHBondContact O-N 3.43Å | ||
| 122 | A | 48.1 | Very low | 52.9 | Low | 102 Ų | 102 | 150.6 Ų | 150.6 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -60.3 | 90.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | V120 R124 | V120-A122 PolarHBondContact O-N 2.81Å; A122-R124 VanDerWaalsContact C-N 3.33Å; A122-R124 PolarHBondContact O-N 2.91Å; A122-R124 VanDerWaalsContact O-N 3.07Å | ||
| 123 | T | 53.3 | Low | 53.4 | Low | 121 Ų | 121 | 147.1 Ų | 147.1 | 74% | 0.742 | 81% | 0.811 | S | S | * | * | trans | -75.9 | 95.5 | 164.8 | -58.5 | 0 | 0 | 0 | 0 | 106.9 | A121 V125 | A121-T123 PolarHBondContact O-N 3.43Å; T123-V125 PolarHBondContact O-N 3.37Å | ||
| 124 | R | 48.8 | Very low | 54.1 | Low | 235 Ų | 235 | 143 Ų | 143 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | -56.9 | 100 | 168.9 | -173.9 | -179.6 | 178.4 | -167.2 | -0.6 | 108.8 | A122 | A122-R124 VanDerWaalsContact C-N 3.33Å; A122-R124 PolarHBondContact O-N 2.91Å; A122-R124 VanDerWaalsContact O-N 3.07Å | ||
| 125 | V | 61.8 | Low | 54.8 | Low | 122 Ų | 122 | 147.8 Ų | 147.8 | 74% | 0.739 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 126.4 | 168 | -179.6 | 0 | 0 | 0 | 0 | 107.8 | T123 | T123-V125 PolarHBondContact O-N 3.37Š|
| 126 | P | 60.4 | Low | 55.2 | Low | 109 Ų | 109 | 149.3 Ų | 149.3 | 71% | 0.708 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 138.5 | 178.1 | 29.1 | -31.1 | 0 | 0 | 0 | 110.6 | V128 | P126-V128 PolarHBondContact O-N 3.03Š|
| 127 | A | 57.3 | Low | 56 | Low | 96 Ų | 96 | 146.3 Ų | 146.3 | 79% | 0.793 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 122.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 128 | V | 67.2 | Low | 56.4 | Low | 140 Ų | 140 | 146.1 Ų | 146.1 | 85% | 0.848 | 82% | 0.818 | S | S | * | * | trans | -80.9 | 112.4 | 161.7 | 169.2 | 0 | 0 | 0 | 0 | 106.8 | P126 | P126-V128 PolarHBondContact O-N 3.03Š| ||
| 129 | Q | 64.2 | Low | 57.1 | Low | 176 Ų | 176 | 149.4 Ų | 149.4 | 82% | 0.822 | 83% | 0.829 | S | S | * | * | trans | -68 | 139.5 | 168.6 | -76.6 | -179.2 | 48.3 | 0 | 0 | 109.6 | ||||
| 130 | P | 67 | Low | 57.9 | Low | 127 Ų | 127 | 141.3 Ų | 141.3 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -75.2 | 137 | 167.5 | 31.8 | -30.1 | 0 | 0 | 0 | 109.5 | ||||
| 131 | H | 60.8 | Low | 58.2 | Low | 258 Ų | 258 | 142.1 Ų | 142.1 | 100% | 1.194 | 82% | 0.822 | S | S | * | * | trans | -91.5 | 0 | 175.1 | -143.6 | -52.9 | 0 | 0 | 0 | 111.2 |
Retrieved 131 of 131 residues in 561.7 ms
(Link to these results)