| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.9 | Very low | 45.2 | Very low | 225 Ų | 225 | 146.5 Ų | 146.5 | 100% | 1.108 | 82% | 0.815 | S | S | * | * | 0 | 94.9 | 0 | -152.8 | 164.1 | -168.3 | 0 | 0 | 107 | |||||
| 2 | A | 37.6 | Very low | 45 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -97.3 | 110.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | K4 | A2-K4 PolarHBondContact O-N 3.09Š| ||
| 3 | F | 46.8 | Very low | 45 | Very low | 182 Ų | 182 | 137.9 Ų | 137.9 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | -68.7 | 100.9 | 173.9 | -88.7 | -92.2 | 0 | 0 | 0 | 108.8 | V5 | F3-V5 PolarHBondContact O-N 3.45Š| ||
| 4 | K | 52.9 | Low | 44.7 | Very low | 195 Ų | 195 | 139.5 Ų | 139.5 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | trans | -79.5 | 90.5 | 168.4 | -164.5 | 180 | -175.6 | -173.4 | 0 | 107.2 | A2 G6 | A2-K4 PolarHBondContact O-N 3.09Å; K4-G6 PolarHBondContact O-N 3.48Å; K4-G6 VanDerWaalsContact O-N 3.1Å | ||
| 5 | V | 53.8 | Low | 44.2 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -73.5 | 99.5 | 169 | -178.5 | 0 | 0 | 0 | 0 | 106.6 | F3 | F3-V5 PolarHBondContact O-N 3.45Š| ||
| 6 | G | 44.1 | Very low | 43.4 | Very low | 52 Ų | 52 | 139.2 Ų | 139.2 | 54% | 0.536 | 78% | 0.78 | S | S | . | * | trans | -72.4 | 132.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K4 | K4-G6 PolarHBondContact O-N 3.48Å; K4-G6 VanDerWaalsContact O-N 3.1Å | ||
| 7 | C | 46.5 | Very low | 43.4 | Very low | 128 Ų | 128 | 138.5 Ų | 138.5 | 87% | 0.865 | 78% | 0.78 | S | S | * | * | trans | -105.7 | 61.5 | 160.3 | -67 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 8 | D | 46.9 | Very low | 43.2 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -106.5 | 111.4 | 176.1 | -72.9 | -40.3 | 0 | 0 | 0 | 109.9 | ||||
| 9 | N | 42.5 | Very low | 43.4 | Very low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 48.6 | 91.9 | 153.1 | -65.2 | -25.1 | 0 | 0 | 0 | 119.1 | ||||
| 10 | F | 43.1 | Very low | 43.5 | Very low | 204 Ų | 204 | 139.5 Ų | 139.5 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | -94.6 | 93.5 | 146.6 | -137.4 | -91.9 | 0 | 0 | 0 | 109.2 | ||||
| 11 | S | 39.6 | Very low | 43.9 | Very low | 111 Ų | 111 | 137.3 Ų | 137.3 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -84.2 | 105.4 | 167.1 | 61.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 12 | S | 42.5 | Very low | 44.9 | Very low | 81 Ų | 81 | 129.3 Ų | 129.3 | 57% | 0.566 | 74% | 0.741 | S | S | * | * | trans | 173.2 | 112 | 146.5 | 54.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 13 | S | 44.5 | Very low | 45.8 | Very low | 100 Ų | 100 | 130 Ų | 130 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | 40.7 | 118.2 | 141.7 | 56.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 14 | N | 41 | Very low | 46.9 | Very low | 160 Ų | 160 | 124.9 Ų | 124.9 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | trans | 94.8 | 114.5 | 153.7 | -57.6 | -21.8 | 0 | 0 | 0 | 118.8 | ||||
| 15 | F | 37.8 | Very low | 47.5 | Very low | 199 Ų | 199 | 117.1 Ų | 117.1 | 87% | 0.873 | 70% | 0.7 | S | S | * | * | trans | 79.4 | 103.3 | 142.4 | -146.2 | -111 | 0 | 0 | 0 | 119.3 | ||||
| 16 | S | 31.6 | Very low | 48.1 | Very low | 75 Ų | 75 | 113.4 Ų | 113.4 | 52% | 0.524 | 68% | 0.682 | S | S | . | * | trans | 50 | 107.5 | 140 | 69.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 17 | T | 43.2 | Very low | 49.3 | Very low | 127 Ų | 127 | 113.9 Ų | 113.9 | 78% | 0.779 | 68% | 0.681 | S | S | * | * | 175.5 | 98.4 | 112.9 | 26.7 | 0 | 0 | 0 | 0 | 108.1 | V19 | T17-V19 VanDerWaalsContact C-N 3.33Å; T17-V19 PolarHBondContact O-N 3.3Å | |||
| 18 | Q | 39.8 | Very low | 50.3 | Low | 191 Ų | 191 | 113.6 Ų | 113.6 | 89% | 0.893 | 67% | 0.67 | S | S | * | * | trans | -70.5 | 96.5 | 164.5 | -74.9 | 179.9 | -4.8 | 0 | 0 | 107.2 | V20 | Q18-V20 PolarHBondContact O-N 3.28Š| ||
| 19 | V | 47 | Very low | 51.4 | Low | 115 Ų | 115 | 113.8 Ų | 113.8 | 70% | 0.697 | 67% | 0.665 | S | S | * | * | trans | -66 | 102.5 | 165 | 179.4 | 0 | 0 | 0 | 0 | 106.1 | T17 C21 | T17-V19 VanDerWaalsContact C-N 3.33Å; T17-V19 PolarHBondContact O-N 3.3Å; V19-C21 PolarHBondContact O-N 3.21Å | ||
| 20 | V | 45.1 | Very low | 52.7 | Low | 130 Ų | 130 | 110 Ų | 110 | 79% | 0.788 | 65% | 0.649 | S | S | * | * | trans | -67.1 | 88.1 | 172.5 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | Q18 S22 | Q18-V20 PolarHBondContact O-N 3.28Å; V20-S22 PolarHBondContact O-N 3.43Å; V20-S22 VanDerWaalsContact O-N 3.1Å | ||
| 21 | C | 52.2 | Low | 54 | Low | 94 Ų | 94 | 105.7 Ų | 105.7 | 64% | 0.635 | 63% | 0.63 | S | S | * | * | trans | -69.2 | 104.3 | 169 | -68.2 | 0 | 0 | 0 | 0 | 107.7 | V19 | V19-C21 PolarHBondContact O-N 3.21Š| ||
| 22 | S | 64.6 | Low | 55.4 | Low | 56 Ų | 56 | 106.2 Ų | 106.2 | 39% | 0.392 | 62% | 0.621 | S | S | . | * | trans | -61.7 | 137.1 | 162.5 | 56.7 | 0 | 0 | 0 | 0 | 107.9 | V20 S24 G25 A26 | V20-S22 PolarHBondContact O-N 3.43Å; V20-S22 VanDerWaalsContact O-N 3.1Å; S22-S24 PolarHBondContact O-N 3.15Å; S22-S24 VanDerWaalsContact O-N 3.09Å; S22-S24 PolarHBondContact OG-OG 3.42Å; S22-G25 PolarHBondContact O-N 3.41Å; S22-G25 PolarHBondContact OG-N 3.05Å; S22-A26 PolarHBondContact O-N 3.42Å; S22-A26 VanDerWaalsContact O-N 3.11Å | ||
| 23 | P | 56.8 | Low | 56.6 | Low | 116 Ų | 116 | 105.6 Ų | 105.6 | 75% | 0.753 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -57.5 | -27.2 | 178.7 | 19.8 | -30.5 | 0 | 0 | 0 | 112 | A27 | P23-A27 WeakPolarHBondContact O-CB 3.49Å; P23-A27 PolarHBondContact O-N 3.39Å; P23-A27 VanDerWaalsContact O-N 3.13Å |
| 24 | S | 69.6 | Low | 57.7 | Low | 75 Ų | 75 | 105.6 Ų | 105.6 | 52% | 0.524 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -68.5 | -39.6 | 171.9 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | S22 A27 L28 | S22-S24 PolarHBondContact O-N 3.15Å; S22-S24 VanDerWaalsContact O-N 3.09Å; S22-S24 PolarHBondContact OG-OG 3.42Å; S24-A27 PolarHBondContact O-N 3.32Å; S24-L28 WeakPolarHBondContact O-CG 3.38Å; S24-L28 PolarHBondContact O-N 3.25Å |
| 25 | G | 65.8 | Low | 59 | Low | 33 Ų | 33 | 100.1 Ų | 100.1 | 34% | 0.34 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.1 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S22 A27 L28 F29 | S22-G25 PolarHBondContact O-N 3.41Å; S22-G25 PolarHBondContact OG-N 3.05Å; G25-A27 VanDerWaalsContact C-N 3.35Å; G25-A27 PolarHBondContact O-N 3.44Å; G25-L28 PolarHBondContact O-N 3.25Å; G25-F29 WeakPolarHBondContact O-CB 3.44Å; G25-F29 PolarHBondContact O-N 3.47Å |
| 26 | A | 66.3 | Low | 60.3 | Low | 50 Ų | 50 | 94 Ų | 94 | 41% | 0.413 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.1 | -38 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S22 C30 | S22-A26 PolarHBondContact O-N 3.42Å; S22-A26 VanDerWaalsContact O-N 3.11Å; A26-C30 WeakPolarHBondContact O-CB 3.43Å; A26-C30 PolarHBondContact O-N 3.4Å |
| 27 | A | 68 | Low | 61.7 | Low | 61 Ų | 61 | 94.1 Ų | 94.1 | 50% | 0.504 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67 | -43.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P23 S24 G25 C30 F31 | P23-A27 WeakPolarHBondContact O-CB 3.49Å; P23-A27 PolarHBondContact O-N 3.39Å; P23-A27 VanDerWaalsContact O-N 3.13Å; S24-A27 PolarHBondContact O-N 3.32Å; G25-A27 VanDerWaalsContact C-N 3.35Å; G25-A27 PolarHBondContact O-N 3.44Å; A27-C30 PolarHBondContact O-N 3.43Å; A27-F31 WeakPolarHBondContact O-CB 3.45Å; A27-F31 PolarHBondContact O-N 2.99Å |
| 28 | L | 69 | Low | 62.7 | Low | 123 Ų | 123 | 90.6 Ų | 90.6 | 64% | 0.644 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.6 | -45.2 | 177 | -75.1 | 171.2 | 0 | 0 | 0 | 111.9 | S24 G25 C30 F31 E32 | S24-L28 WeakPolarHBondContact O-CG 3.38Å; S24-L28 PolarHBondContact O-N 3.25Å; G25-L28 PolarHBondContact O-N 3.25Å; L28-C30 VanDerWaalsContact C-N 3.35Å; L28-C30 PolarHBondContact O-N 3.46Å; L28-F31 PolarHBondContact O-N 3.44Å; L28-E32 PolarHBondContact O-N 3.22Å |
| 29 | F | 69.3 | Low | 63.7 | Low | 139 Ų | 139 | 85 Ų | 85 | 61% | 0.61 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.3 | -41.1 | 175.8 | -176.6 | -102.1 | 0 | 0 | 0 | 111.7 | G25 F31 E32 V33 | G25-F29 WeakPolarHBondContact O-CB 3.44Å; G25-F29 PolarHBondContact O-N 3.47Å; F29-F31 VanDerWaalsContact C-N 3.34Å; F29-F31 PolarHBondContact O-N 3.03Å; F29-E32 PolarHBondContact O-N 3.13Å; F29-V33 HydrophobicContact CD1-CG2 4.11Å; F29-V33 HydrophobicContact CE1-CG2 3.74Å; F29-V33 HydrophobicContact CE2-CG2 4.21Å; F29-V33 HydrophobicContact CZ-CG2 3.79Å; F29-V33 WeakPolarHBondContact O-CB 3.29Å; F29-V33 VanDerWaalsContact O-CG2 3.27Å; F29-V33 WeakPolarHBondContact O-CG2 3.44Å; F29-V33 PolarHBondContact O-N 3.13Å |
| 30 | C | 69.8 | Low | 64.3 | Low | 69 Ų | 69 | 83 Ų | 83 | 47% | 0.466 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 175.3 | -170.9 | 0 | 0 | 0 | 0 | 111.6 | A26 A27 L28 V33 L34 | A26-C30 WeakPolarHBondContact O-CB 3.43Å; A26-C30 PolarHBondContact O-N 3.4Å; A27-C30 PolarHBondContact O-N 3.43Å; L28-C30 VanDerWaalsContact C-N 3.35Å; L28-C30 PolarHBondContact O-N 3.46Å; C30-V33 PolarHBondContact O-N 2.9Å; C30-L34 VanDerWaalsContact O-CB 3.26Å; C30-L34 WeakPolarHBondContact O-CB 3.43Å; C30-L34 WeakPolarHBondContact O-CD1 3.29Å; C30-L34 WeakPolarHBondContact O-CG 3.35Å; C30-L34 PolarHBondContact O-N 3.27Å |
| 31 | F | 70.3 | Confident | 64.9 | Low | 115 Ų | 115 | 80 Ų | 80 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 174.4 | -176.3 | -95.3 | 0 | 0 | 0 | 111.8 | A27 L28 F29 L34 F35 | A27-F31 WeakPolarHBondContact O-CB 3.45Å; A27-F31 PolarHBondContact O-N 2.99Å; L28-F31 PolarHBondContact O-N 3.44Å; F29-F31 VanDerWaalsContact C-N 3.34Å; F29-F31 PolarHBondContact O-N 3.03Å; F31-L34 PolarHBondContact O-N 2.97Å; F31-F35 WeakPolarHBondContact O-CB 3.36Å; F31-F35 PolarHBondContact O-N 3.49Å |
| 32 | E | 68.4 | Low | 65.2 | Low | 122 Ų | 122 | 81.5 Ų | 81.5 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.9 | -42.2 | 177.6 | -171.8 | -179 | 176.3 | 0 | 0 | 112 | L28 F29 F35 S36 | L28-E32 PolarHBondContact O-N 3.22Å; F29-E32 PolarHBondContact O-N 3.13Å; E32-F35 PolarHBondContact O-N 2.94Å; E32-S36 VanDerWaalsContact O-CB 3.28Å; E32-S36 WeakPolarHBondContact O-CB 3.42Å; E32-S36 PolarHBondContact O-N 2.87Å; E32-S36 PolarHBondContact O-OG 2.98Å |
| 33 | V | 68.8 | Low | 64.9 | Low | 67 Ų | 67 | 81.6 Ų | 81.6 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 175.3 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | F29 C30 F35 S36 S37 | F29-V33 HydrophobicContact CD1-CG2 4.11Å; F29-V33 HydrophobicContact CE1-CG2 3.74Å; F29-V33 HydrophobicContact CE2-CG2 4.21Å; F29-V33 HydrophobicContact CZ-CG2 3.79Å; F29-V33 WeakPolarHBondContact O-CB 3.29Å; F29-V33 VanDerWaalsContact O-CG2 3.27Å; F29-V33 WeakPolarHBondContact O-CG2 3.44Å; F29-V33 PolarHBondContact O-N 3.13Å; C30-V33 PolarHBondContact O-N 2.9Å; V33-F35 VanDerWaalsContact C-N 3.35Å; V33-S36 PolarHBondContact O-N 3.32Å; V33-S37 VanDerWaalsContact O-CB 3.32Å; V33-S37 WeakPolarHBondContact O-CB 3.45Å; V33-S37 PolarHBondContact O-N 2.98Å; V33-S37 PolarHBondContact O-OG 3.41Å |
| 34 | L | 67.9 | Low | 65.4 | Low | 101 Ų | 101 | 81.8 Ų | 81.8 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 174.2 | -83.2 | 160.6 | 0 | 0 | 0 | 110.9 | C30 F31 S37 T38 | C30-L34 VanDerWaalsContact O-CB 3.26Å; C30-L34 WeakPolarHBondContact O-CB 3.43Å; C30-L34 WeakPolarHBondContact O-CD1 3.29Å; C30-L34 WeakPolarHBondContact O-CG 3.35Å; C30-L34 PolarHBondContact O-N 3.27Å; F31-L34 PolarHBondContact O-N 2.97Å; L34-S37 WeakPolarHBondContact O-CB 3.43Å; L34-S37 PolarHBondContact O-N 3.32Å; L34-T38 VanDerWaalsContact O-CG2 3.26Å; L34-T38 WeakPolarHBondContact O-CG2 3.33Å; L34-T38 PolarHBondContact O-N 2.88Å; L34-T38 PolarHBondContact O-OG1 3.38Å |
| 35 | F | 66.7 | Low | 65.4 | Low | 45 Ų | 45 | 82.3 Ų | 82.3 | 20% | 0.197 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 179.7 | -172 | -90.3 | 0 | 0 | 0 | 111.5 | F31 E32 V33 S37 T38 T39 L48 F52 | F31-F35 WeakPolarHBondContact O-CB 3.36Å; F31-F35 PolarHBondContact O-N 3.49Å; E32-F35 PolarHBondContact O-N 2.94Å; V33-F35 VanDerWaalsContact C-N 3.35Å; F35-S37 VanDerWaalsContact C-N 3.27Å; F35-S37 PolarHBondContact O-N 3.5Å; F35-T38 WeakPolarHBondContact CA-OG1 3.37Å; F35-T38 PolarHBondContact O-N 3.37Å; F35-T38 VanDerWaalsContact O-N 3.11Å; F35-T38 PolarHBondContact O-OG1 2.94Å; F35-T39 HydrophobicContact CD1-CG2 4.23Å; F35-T39 HydrophobicContact CE1-CG2 3.63Å; F35-T39 HydrophobicContact CZ-CG2 3.82Å; F35-T39 PolarHBondContact O-N 3.19Å; F35-T39 PolarHBondContact O-OG1 3.37Å; F35-L48 HydrophobicContact CD2-CD1 4.26Å; F35-L48 HydrophobicContact CE2-CD1 3.31Å; F35-L48 HydrophobicContact CE2-CG 3.94Å; F35-L48 HydrophobicContact CZ-CD1 3.47Å; F35-L48 VanDerWaalsContact CZ-CD1 3.47Å; F35-L48 HydrophobicContact CZ-CD2 3.84Å; F35-L48 HydrophobicContact CZ-CG 3.76Å; F35-F52 HydrophobicContact CD1-CZ 4.5Å; F35-F52 HydrophobicContact CD2-CZ 4.4Å; F35-F52 AromaticContact CE1-CE2 3.97Å; F35-F52 HydrophobicContact CE1-CE2 3.97Å; F35-F52 AromaticContact CE1-CZ 3.6Å; F35-F52 HydrophobicContact CE1-CZ 3.6Å; F35-F52 HydrophobicContact CE2-CD2 4.25Å; F35-F52 HydrophobicContact CE2-CE1 4.17Å; F35-F52 AromaticContact CE2-CE2 3.53Å; F35-F52 HydrophobicContact CE2-CE2 3.53Å; F35-F52 AromaticContact CE2-CZ 3.46Å; F35-F52 HydrophobicContact CE2-CZ 3.46Å; F35-F52 VanDerWaalsContact CE2-CZ 3.46Å; F35-F52 HydrophobicContact CZ-CD2 4.12Å; F35-F52 HydrophobicContact CZ-CE1 4.12Å; F35-F52 AromaticContact CZ-CE2 3.06Å; F35-F52 HydrophobicContact CZ-CE2 3.06Å; F35-F52 AromaticContact CZ-CZ 3.03Å; F35-F52 HydrophobicContact CZ-CZ 3.03Å |
| 36 | S | 65 | Low | 65.5 | Low | 69 Ų | 69 | 86 Ų | 86 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.9 | -32 | 176.3 | -56.8 | 0 | 0 | 0 | 0 | 112.7 | E32 V33 T39 | E32-S36 VanDerWaalsContact O-CB 3.28Å; E32-S36 WeakPolarHBondContact O-CB 3.42Å; E32-S36 PolarHBondContact O-N 2.87Å; E32-S36 PolarHBondContact O-OG 2.98Å; V33-S36 PolarHBondContact O-N 3.32Å; S36-T39 PolarHBondContact O-OG1 3.24Å |
| 37 | S | 61.7 | Low | 65.7 | Low | 79 Ų | 79 | 86.2 Ų | 86.2 | 55% | 0.552 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72.7 | -34.6 | 174.6 | -54.5 | 0 | 0 | 0 | 0 | 111.5 | V33 L34 F35 | V33-S37 VanDerWaalsContact O-CB 3.32Å; V33-S37 WeakPolarHBondContact O-CB 3.45Å; V33-S37 PolarHBondContact O-N 2.98Å; V33-S37 PolarHBondContact O-OG 3.41Å; L34-S37 WeakPolarHBondContact O-CB 3.43Å; L34-S37 PolarHBondContact O-N 3.32Å; F35-S37 VanDerWaalsContact C-N 3.27Å; F35-S37 PolarHBondContact O-N 3.5Å |
| 38 | T | 63.9 | Low | 65.6 | Low | 53 Ų | 53 | 84.9 Ų | 84.9 | 33% | 0.325 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -76.5 | -34.3 | -179.8 | 57.4 | 0 | 0 | 0 | 0 | 113.4 | L34 F35 G40 S41 V43 | L34-T38 VanDerWaalsContact O-CG2 3.26Å; L34-T38 WeakPolarHBondContact O-CG2 3.33Å; L34-T38 PolarHBondContact O-N 2.88Å; L34-T38 PolarHBondContact O-OG1 3.38Å; F35-T38 WeakPolarHBondContact CA-OG1 3.37Å; F35-T38 PolarHBondContact O-N 3.37Å; F35-T38 VanDerWaalsContact O-N 3.11Å; F35-T38 PolarHBondContact O-OG1 2.94Å; T38-G40 PolarHBondContact O-N 3.4Å; T38-S41 PolarHBondContact O-N 2.96Å; T38-S41 VanDerWaalsContact O-O 3.11Å; T38-S41 PolarHBondContact O-OG 2.94Å; T38-V43 VanDerWaalsContact O-CG2 3.3Å; T38-V43 WeakPolarHBondContact O-CG2 3.31Å |
| 39 | T | 60.9 | Low | 65.9 | Low | 73 Ų | 73 | 85.1 Ų | 85.1 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -15.3 | 178.5 | 48.9 | 0 | 0 | 0 | 0 | 114.1 | F35 S36 L48 | F35-T39 HydrophobicContact CD1-CG2 4.23Å; F35-T39 HydrophobicContact CE1-CG2 3.63Å; F35-T39 HydrophobicContact CZ-CG2 3.82Å; F35-T39 PolarHBondContact O-N 3.19Å; F35-T39 PolarHBondContact O-OG1 3.37Å; S36-T39 PolarHBondContact O-OG1 3.24Å; T39-L48 HydrophobicContact CG2-CD1 4Å; T39-L48 HydrophobicContact CG2-CD2 3.65Å; T39-L48 HydrophobicContact CG2-CG 4.48Å |
| 40 | G | 59.9 | Low | 66.2 | Low | 74 Ų | 74 | 86.4 Ų | 86.4 | 76% | 0.763 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -11.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | T38 | T38-G40 PolarHBondContact O-N 3.4Š|
| 41 | S | 58.3 | Low | 66.5 | Low | 65 Ų | 65 | 88.6 Ų | 88.6 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -98.8 | 153.9 | 169.6 | 63.9 | 0 | 0 | 0 | 0 | 109 | T38 V43 | T38-S41 PolarHBondContact O-N 2.96Å; T38-S41 VanDerWaalsContact O-O 3.11Å; T38-S41 PolarHBondContact O-OG 2.94Å; S41-V43 PolarHBondContact O-N 2.94Å; S41-V43 WeakPolarHBondContact OG-CG2 3.4Å |
| 42 | S | 58.2 | Low | 66.8 | Low | 126 Ų | 126 | 88 Ų | 88 | 88% | 0.881 | 50% | 0.503 | S | S | * | . | trans | -63.9 | 56.7 | -179.6 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 43 | V | 59.1 | Low | 67.3 | Low | 59 Ų | 59 | 87.1 Ų | 87.1 | 36% | 0.358 | 50% | 0.502 | S | S | . | . | trans | -78.6 | 118.3 | 170.1 | 177.3 | 0 | 0 | 0 | 0 | 105.7 | T38 S41 S45 | T38-V43 VanDerWaalsContact O-CG2 3.3Å; T38-V43 WeakPolarHBondContact O-CG2 3.31Å; S41-V43 PolarHBondContact O-N 2.94Å; S41-V43 WeakPolarHBondContact OG-CG2 3.4Å; V43-S45 PolarHBondContact O-N 2.95Å; V43-S45 VanDerWaalsContact O-N 3.08Å | ||
| 44 | D | 67.5 | Low | 68 | Low | 119 Ų | 119 | 85.8 Ų | 85.8 | 64% | 0.636 | 50% | 0.502 | S | S | * | . | trans | -48.8 | 119.5 | 176.6 | -64.8 | -53.1 | 0 | 0 | 0 | 109 | E46 S47 L48 | D44-E46 PolarHBondContact O-N 3.26Å; D44-S47 WeakPolarHBondContact O-CB 3.38Å; D44-S47 PolarHBondContact O-N 2.95Å; D44-L48 PolarHBondContact O-N 3.31Å | ||
| 45 | S | 68.2 | Low | 68.7 | Low | 86 Ų | 86 | 84.3 Ų | 84.3 | 60% | 0.601 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -50.2 | -30.2 | -178.4 | -54 | 0 | 0 | 0 | 0 | 112.2 | V43 S47 L48 E49 | V43-S45 PolarHBondContact O-N 2.95Å; V43-S45 VanDerWaalsContact O-N 3.08Å; S45-S47 VanDerWaalsContact C-N 3.33Å; S45-S47 PolarHBondContact O-N 3.07Å; S45-L48 WeakPolarHBondContact O-CB 3.45Å; S45-L48 PolarHBondContact O-N 2.92Å; S45-E49 WeakPolarHBondContact O-CG 3.37Å; S45-E49 PolarHBondContact O-N 3.36Å |
| 46 | E | 69.2 | Low | 69.4 | Low | 110 Ų | 110 | 84.9 Ų | 84.9 | 51% | 0.514 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.5 | -38 | 174.4 | -170.1 | -179.7 | 176 | 0 | 0 | 113.2 | D44 R50 | D44-E46 PolarHBondContact O-N 3.26Å; E46-R50 VanDerWaalsContact O-CG 3.28Å; E46-R50 WeakPolarHBondContact O-CG 3.36Å; E46-R50 PolarHBondContact O-N 3.38Å; E46-R50 VanDerWaalsContact O-N 3.13Å; E46-R50 IonicContact OE1-CZ 3.41Å; E46-R50 IonicContact OE1-NE 3.72Å; E46-R50 IonicContact OE1-NH2 2.65Å; E46-R50 PolarHBondContact OE1-NH2 3.2Å |
| 47 | S | 68.8 | Low | 70.4 | Confident | 56 Ų | 56 | 86.5 Ų | 86.5 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.3 | -35.4 | 176.9 | -64.8 | 0 | 0 | 0 | 0 | 111.8 | D44 S45 L51 | D44-S47 WeakPolarHBondContact O-CB 3.38Å; D44-S47 PolarHBondContact O-N 2.95Å; S45-S47 VanDerWaalsContact C-N 3.33Å; S45-S47 PolarHBondContact O-N 3.07Å; S47-L51 WeakPolarHBondContact O-CG 3.5Å; S47-L51 PolarHBondContact O-N 3.45Å; S47-L51 VanDerWaalsContact O-N 3.09Å |
| 48 | L | 67.7 | Low | 71.5 | Confident | 33 Ų | 33 | 87.7 Ų | 87.7 | 17% | 0.173 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -68.5 | -43.6 | 177.4 | -160.9 | 75.1 | 0 | 0 | 0 | 111.3 | F35 T39 D44 S45 L51 F52 | F35-L48 HydrophobicContact CD2-CD1 4.26Å; F35-L48 HydrophobicContact CE2-CD1 3.31Å; F35-L48 HydrophobicContact CE2-CG 3.94Å; F35-L48 HydrophobicContact CZ-CD1 3.47Å; F35-L48 VanDerWaalsContact CZ-CD1 3.47Å; F35-L48 HydrophobicContact CZ-CD2 3.84Å; F35-L48 HydrophobicContact CZ-CG 3.76Å; T39-L48 HydrophobicContact CG2-CD1 4Å; T39-L48 HydrophobicContact CG2-CD2 3.65Å; T39-L48 HydrophobicContact CG2-CG 4.48Å; D44-L48 PolarHBondContact O-N 3.31Å; S45-L48 WeakPolarHBondContact O-CB 3.45Å; S45-L48 PolarHBondContact O-N 2.92Å; L48-L51 PolarHBondContact O-N 3.45Å; L48-F52 HydrophobicContact CD2-CE2 4.29Å; L48-F52 HydrophobicContact CG-CD2 4.19Å; L48-F52 HydrophobicContact CG-CE2 4.08Å; L48-F52 WeakPolarHBondContact O-CD2 3.45Å; L48-F52 PolarHBondContact O-N 2.89Å |
| 49 | E | 73.6 | Confident | 72.7 | Confident | 128 Ų | 128 | 90.2 Ų | 90.2 | 60% | 0.598 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.6 | -46.5 | 175.1 | -74.7 | 178 | 177.4 | 0 | 0 | 111.1 | S45 L51 F52 D53 | S45-E49 WeakPolarHBondContact O-CG 3.37Å; S45-E49 PolarHBondContact O-N 3.36Å; E49-L51 VanDerWaalsContact C-N 3.32Å; E49-L51 PolarHBondContact O-N 2.96Å; E49-F52 PolarHBondContact O-N 3.47Å; E49-D53 PolarHBondContact O-N 3.44Å |
| 50 | R | 76.9 | Confident | 74.1 | Confident | 165 Ų | 165 | 92.3 Ų | 92.3 | 62% | 0.623 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.7 | -36.9 | 176.2 | -71.8 | 174.3 | -176.8 | -172.4 | 4 | 113.3 | E46 G54 | E46-R50 VanDerWaalsContact O-CG 3.28Å; E46-R50 WeakPolarHBondContact O-CG 3.36Å; E46-R50 PolarHBondContact O-N 3.38Å; E46-R50 VanDerWaalsContact O-N 3.13Å; E46-R50 IonicContact OE1-CZ 3.41Å; E46-R50 IonicContact OE1-NE 3.72Å; E46-R50 IonicContact OE1-NH2 2.65Å; E46-R50 PolarHBondContact OE1-NH2 3.2Å; R50-G54 PolarHBondContact O-N 3.46Å |
| 51 | L | 74.7 | Confident | 75.6 | Confident | 116 Ų | 116 | 93.2 Ų | 93.2 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.3 | -44.5 | 176 | -80.1 | 168.5 | 0 | 0 | 0 | 111.5 | S47 L48 E49 G54 V55 | S47-L51 WeakPolarHBondContact O-CG 3.5Å; S47-L51 PolarHBondContact O-N 3.45Å; S47-L51 VanDerWaalsContact O-N 3.09Å; L48-L51 PolarHBondContact O-N 3.45Å; E49-L51 VanDerWaalsContact C-N 3.32Å; E49-L51 PolarHBondContact O-N 2.96Å; L51-G54 PolarHBondContact O-N 3.02Å; L51-V55 WeakPolarHBondContact O-CG2 3.44Å; L51-V55 PolarHBondContact O-N 2.93Å |
| 52 | F | 78 | Confident | 77.2 | Confident | 102 Ų | 102 | 94.4 Ų | 94.4 | 45% | 0.447 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 175.7 | -86.9 | -62.7 | 0 | 0 | 0 | 112.5 | F35 L48 E49 G54 V55 A56 | F35-F52 HydrophobicContact CD1-CZ 4.5Å; F35-F52 HydrophobicContact CD2-CZ 4.4Å; F35-F52 AromaticContact CE1-CE2 3.97Å; F35-F52 HydrophobicContact CE1-CE2 3.97Å; F35-F52 AromaticContact CE1-CZ 3.6Å; F35-F52 HydrophobicContact CE1-CZ 3.6Å; F35-F52 HydrophobicContact CE2-CD2 4.25Å; F35-F52 HydrophobicContact CE2-CE1 4.17Å; F35-F52 AromaticContact CE2-CE2 3.53Å; F35-F52 HydrophobicContact CE2-CE2 3.53Å; F35-F52 AromaticContact CE2-CZ 3.46Å; F35-F52 HydrophobicContact CE2-CZ 3.46Å; F35-F52 VanDerWaalsContact CE2-CZ 3.46Å; F35-F52 HydrophobicContact CZ-CD2 4.12Å; F35-F52 HydrophobicContact CZ-CE1 4.12Å; F35-F52 AromaticContact CZ-CE2 3.06Å; F35-F52 HydrophobicContact CZ-CE2 3.06Å; F35-F52 AromaticContact CZ-CZ 3.03Å; F35-F52 HydrophobicContact CZ-CZ 3.03Å; L48-F52 HydrophobicContact CD2-CE2 4.29Å; L48-F52 HydrophobicContact CG-CD2 4.19Å; L48-F52 HydrophobicContact CG-CE2 4.08Å; L48-F52 WeakPolarHBondContact O-CD2 3.45Å; L48-F52 PolarHBondContact O-N 2.89Å; E49-F52 PolarHBondContact O-N 3.47Å; F52-G54 VanDerWaalsContact C-N 3.3Å; F52-G54 PolarHBondContact O-N 2.92Å; F52-V55 PolarHBondContact O-N 3.46Å; F52-A56 WeakPolarHBondContact O-CB 3.32Å; F52-A56 PolarHBondContact O-N 3.41Å |
| 53 | D | 79.3 | Confident | 78.9 | Confident | 103 Ų | 103 | 93 Ų | 93 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.2 | -43.7 | 174.9 | -77.9 | -18.5 | 0 | 0 | 0 | 110.9 | E49 V55 A56 I57 | E49-D53 PolarHBondContact O-N 3.44Å; D53-V55 PolarHBondContact O-N 3.25Å; D53-A56 PolarHBondContact O-N 2.89Å; D53-I57 WeakPolarHBondContact O-CB 3.15Å; D53-I57 WeakPolarHBondContact O-CD1 3.34Å; D53-I57 WeakPolarHBondContact O-CG1 3.31Å; D53-I57 PolarHBondContact O-N 2.96Å |
| 54 | G | 82 | Confident | 80.5 | Confident | 40 Ų | 40 | 95 Ų | 95 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R50 L51 F52 I57 L58 | R50-G54 PolarHBondContact O-N 3.46Å; L51-G54 PolarHBondContact O-N 3.02Å; F52-G54 VanDerWaalsContact C-N 3.3Å; F52-G54 PolarHBondContact O-N 2.92Å; G54-I57 PolarHBondContact O-N 3.37Å; G54-L58 WeakPolarHBondContact O-CB 3.45Å; G54-L58 PolarHBondContact O-N 3.23Å |
| 55 | V | 83.4 | Confident | 81.6 | Confident | 70 Ų | 70 | 92.9 Ų | 92.9 | 42% | 0.424 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.2 | -40.6 | 177.9 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | L51 F52 D53 L58 L59 | L51-V55 WeakPolarHBondContact O-CG2 3.44Å; L51-V55 PolarHBondContact O-N 2.93Å; F52-V55 PolarHBondContact O-N 3.46Å; D53-V55 PolarHBondContact O-N 3.25Å; V55-L58 PolarHBondContact O-N 3.08Å; V55-L59 WeakPolarHBondContact O-CB 3.33Å; V55-L59 PolarHBondContact O-N 2.94Å |
| 56 | A | 80.3 | Confident | 82.8 | Confident | 56 Ų | 56 | 92.6 Ų | 92.6 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F52 D53 L59 L60 | F52-A56 WeakPolarHBondContact O-CB 3.32Å; F52-A56 PolarHBondContact O-N 3.41Å; D53-A56 PolarHBondContact O-N 2.89Å; A56-L59 PolarHBondContact O-N 3.43Å; A56-L60 WeakPolarHBondContact O-CB 3.42Å; A56-L60 PolarHBondContact O-N 3.43Å |
| 57 | I | 85.8 | Confident | 83.9 | Confident | 103 Ų | 103 | 90.6 Ų | 90.6 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 174.1 | -68.4 | 163.9 | 0 | 0 | 0 | 110.4 | D53 G54 L59 L60 L61 | D53-I57 WeakPolarHBondContact O-CB 3.15Å; D53-I57 WeakPolarHBondContact O-CD1 3.34Å; D53-I57 WeakPolarHBondContact O-CG1 3.31Å; D53-I57 PolarHBondContact O-N 2.96Å; G54-I57 PolarHBondContact O-N 3.37Å; I57-L59 VanDerWaalsContact C-N 3.35Å; I57-L59 PolarHBondContact O-N 2.98Å; I57-L60 WeakPolarHBondContact O-CB 3.14Å; I57-L60 PolarHBondContact O-N 3.38Å; I57-L61 HydrophobicContact CG2-CD1 4.19Å; I57-L61 WeakPolarHBondContact O-CG 3.37Å; I57-L61 PolarHBondContact O-N 3.46Å |
| 58 | L | 85.4 | Confident | 85.1 | Confident | 104 Ų | 104 | 92.1 Ų | 92.1 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -44.3 | 177.6 | -176.1 | 64.8 | 0 | 0 | 0 | 111.6 | G54 V55 L60 L61 I62 | G54-L58 WeakPolarHBondContact O-CB 3.45Å; G54-L58 PolarHBondContact O-N 3.23Å; V55-L58 PolarHBondContact O-N 3.08Å; L58-L60 VanDerWaalsContact C-N 3.33Å; L58-L60 PolarHBondContact O-N 3.31Å; L58-L61 PolarHBondContact O-N 3.35Å; L58-I62 HydrophobicContact CG-CD1 4.18Å; L58-I62 VanDerWaalsContact O-CG1 3.32Å; L58-I62 WeakPolarHBondContact O-CG1 3.34Å; L58-I62 PolarHBondContact O-N 2.89Å |
| 59 | L | 89.9 | Confident | 86.2 | Confident | 106 Ų | 106 | 96.9 Ų | 96.9 | 56% | 0.555 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.9 | -43.6 | 176.2 | -167.5 | 102.4 | 0 | 0 | 0 | 111.2 | V55 A56 I57 L61 I62 L63 | V55-L59 WeakPolarHBondContact O-CB 3.33Å; V55-L59 PolarHBondContact O-N 2.94Å; A56-L59 PolarHBondContact O-N 3.43Å; I57-L59 VanDerWaalsContact C-N 3.35Å; I57-L59 PolarHBondContact O-N 2.98Å; L59-L61 PolarHBondContact O-N 3.48Å; L59-I62 PolarHBondContact O-N 3.18Å; L59-L63 HydrophobicContact CD2-CD1 4.07Å; L59-L63 HydrophobicContact CG-CD1 4.37Å; L59-L63 WeakPolarHBondContact O-CG 3.16Å; L59-L63 PolarHBondContact O-N 2.93Å |
| 60 | L | 90 | Very high | 87 | Confident | 117 Ų | 117 | 97.6 Ų | 97.6 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.5 | -42.6 | 177.3 | -174.5 | 67.4 | 0 | 0 | 0 | 111.8 | A56 I57 L58 L63 L64 | A56-L60 WeakPolarHBondContact O-CB 3.42Å; A56-L60 PolarHBondContact O-N 3.43Å; I57-L60 WeakPolarHBondContact O-CB 3.14Å; I57-L60 PolarHBondContact O-N 3.38Å; L58-L60 VanDerWaalsContact C-N 3.33Å; L58-L60 PolarHBondContact O-N 3.31Å; L60-L63 PolarHBondContact O-N 3.48Å; L60-L64 WeakPolarHBondContact O-CB 3.32Å; L60-L64 PolarHBondContact O-N 3.39Å |
| 61 | L | 90.4 | Very high | 87.6 | Confident | 94 Ų | 94 | 92.9 Ų | 92.9 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 176.7 | -71.4 | 173.3 | 0 | 0 | 0 | 112.3 | I57 L58 L59 S65 | I57-L61 HydrophobicContact CG2-CD1 4.19Å; I57-L61 WeakPolarHBondContact O-CG 3.37Å; I57-L61 PolarHBondContact O-N 3.46Å; L58-L61 PolarHBondContact O-N 3.35Å; L59-L61 PolarHBondContact O-N 3.48Å; L61-S65 WeakPolarHBondContact O-CB 3.38Å; L61-S65 PolarHBondContact O-N 2.84Å; L61-S65 PolarHBondContact O-OG 2.84Å |
| 62 | I | 92.7 | Very high | 88.3 | Confident | 90 Ų | 90 | 92.4 Ų | 92.4 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.5 | -47 | 175.3 | -68.5 | 165.5 | 0 | 0 | 0 | 110.2 | L58 L59 L64 S65 L66 | L58-I62 HydrophobicContact CG-CD1 4.18Å; L58-I62 VanDerWaalsContact O-CG1 3.32Å; L58-I62 WeakPolarHBondContact O-CG1 3.34Å; L58-I62 PolarHBondContact O-N 2.89Å; L59-I62 PolarHBondContact O-N 3.18Å; I62-L64 PolarHBondContact O-N 2.86Å; I62-S65 PolarHBondContact O-N 3.33Å; I62-L66 HydrophobicContact CG2-CD1 3.98Å; I62-L66 HydrophobicContact CG2-CG 4.47Å; I62-L66 WeakPolarHBondContact O-CG 3.45Å; I62-L66 PolarHBondContact O-N 3.2Å |
| 63 | L | 93.8 | Very high | 88.8 | Confident | 97 Ų | 97 | 91.7 Ų | 91.7 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | 178.3 | -72.4 | 173.2 | 0 | 0 | 0 | 112 | L59 L60 S65 L66 S67 | L59-L63 HydrophobicContact CD2-CD1 4.07Å; L59-L63 HydrophobicContact CG-CD1 4.37Å; L59-L63 WeakPolarHBondContact O-CG 3.16Å; L59-L63 PolarHBondContact O-N 2.93Å; L60-L63 PolarHBondContact O-N 3.48Å; L63-S65 VanDerWaalsContact C-N 3.34Å; L63-S65 PolarHBondContact O-N 3.32Å; L63-L66 PolarHBondContact O-N 3.41Å; L63-S67 WeakPolarHBondContact O-CB 3.37Å; L63-S67 PolarHBondContact O-N 2.97Å |
| 64 | L | 93.4 | Very high | 89.1 | Confident | 99 Ų | 99 | 91.3 Ų | 91.3 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 175.5 | -175.1 | 64.8 | 0 | 0 | 0 | 111.4 | L60 I62 S67 N68 | L60-L64 WeakPolarHBondContact O-CB 3.32Å; L60-L64 PolarHBondContact O-N 3.39Å; I62-L64 PolarHBondContact O-N 2.86Å; L64-S67 PolarHBondContact O-N 2.93Å; L64-N68 WeakPolarHBondContact O-CB 3.34Å; L64-N68 PolarHBondContact O-N 3.36Å; L64-N68 PolarHBondContact O-ND2 3.35Å |
| 65 | S | 91.2 | Very high | 89.4 | Confident | 76 Ų | 76 | 92.5 Ų | 92.5 | 53% | 0.531 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 177.5 | -60 | 0 | 0 | 0 | 0 | 111.9 | L61 I62 L63 N68 Y69 | L61-S65 WeakPolarHBondContact O-CB 3.38Å; L61-S65 PolarHBondContact O-N 2.84Å; L61-S65 PolarHBondContact O-OG 2.84Å; I62-S65 PolarHBondContact O-N 3.33Å; L63-S65 VanDerWaalsContact C-N 3.34Å; L63-S65 PolarHBondContact O-N 3.32Å; S65-N68 PolarHBondContact O-N 2.87Å; S65-Y69 WeakPolarHBondContact O-CB 3.47Å; S65-Y69 PolarHBondContact O-N 2.92Å |
| 66 | L | 93.3 | Very high | 89.5 | Confident | 80 Ų | 80 | 94.1 Ų | 94.1 | 42% | 0.419 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 175.1 | -73.2 | 170.1 | 0 | 0 | 0 | 111.4 | I62 L63 N68 Y69 Y70 | I62-L66 HydrophobicContact CG2-CD1 3.98Å; I62-L66 HydrophobicContact CG2-CG 4.47Å; I62-L66 WeakPolarHBondContact O-CG 3.45Å; I62-L66 PolarHBondContact O-N 3.2Å; L63-L66 PolarHBondContact O-N 3.41Å; L66-N68 PolarHBondContact O-N 2.82Å; L66-Y69 PolarHBondContact O-N 3.29Å; L66-Y70 HydrophobicContact CD2-CE2 4.42Å; L66-Y70 WeakPolarHBondContact O-CD2 3.35Å; L66-Y70 PolarHBondContact O-N 3.5Å |
| 67 | S | 92.4 | Very high | 89.9 | Confident | 67 Ų | 67 | 93.9 Ų | 93.9 | 47% | 0.469 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59 | -46 | 178.1 | -174.9 | 0 | 0 | 0 | 0 | 111.8 | L63 L64 S71 | L63-S67 WeakPolarHBondContact O-CB 3.37Å; L63-S67 PolarHBondContact O-N 2.97Å; L64-S67 PolarHBondContact O-N 2.93Å; S67-S71 WeakPolarHBondContact O-CB 3.49Å; S67-S71 PolarHBondContact O-N 2.91Å; S67-S71 PolarHBondContact O-OG 3.48Å |
| 68 | N | 93 | Very high | 90 | Very high | 88 Ų | 88 | 95.9 Ų | 95.9 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -44.6 | 175.6 | -75.9 | -22.6 | 0 | 0 | 0 | 111.9 | L64 S65 L66 S71 I72 | L64-N68 WeakPolarHBondContact O-CB 3.34Å; L64-N68 PolarHBondContact O-N 3.36Å; L64-N68 PolarHBondContact O-ND2 3.35Å; S65-N68 PolarHBondContact O-N 2.87Å; L66-N68 PolarHBondContact O-N 2.82Å; N68-S71 PolarHBondContact O-N 3.32Å; N68-I72 VanDerWaalsContact O-CG1 3.31Å; N68-I72 WeakPolarHBondContact O-CG1 3.35Å; N68-I72 PolarHBondContact O-N 3.46Å |
| 69 | Y | 91.1 | Very high | 89.8 | Confident | 133 Ų | 133 | 94.2 Ų | 94.2 | 52% | 0.522 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59 | -49.6 | 178 | -180 | -103.3 | 0 | 0 | 0 | 112.2 | S65 L66 S71 I72 Q73 | S65-Y69 WeakPolarHBondContact O-CB 3.47Å; S65-Y69 PolarHBondContact O-N 2.92Å; L66-Y69 PolarHBondContact O-N 3.29Å; Y69-S71 VanDerWaalsContact C-N 3.34Å; Y69-S71 PolarHBondContact O-N 3Å; Y69-I72 PolarHBondContact O-N 3.24Å; Y69-Q73 HydrophobicContact CD1-CG 4.45Å; Y69-Q73 HydrophobicContact CE1-CG 4.19Å; Y69-Q73 WeakPolarHBondContact O-CG 3.42Å; Y69-Q73 PolarHBondContact O-N 2.77Å; Y69-Q73 PolarHBondContact OH-NE2 2.94Å |
| 70 | Y | 91.2 | Very high | 89.5 | Confident | 144 Ų | 144 | 94.6 Ų | 94.6 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.8 | -37.7 | 177.6 | -78.8 | -64.9 | 0 | 0 | 0 | 112.4 | L66 I72 Q73 L74 | L66-Y70 HydrophobicContact CD2-CE2 4.42Å; L66-Y70 WeakPolarHBondContact O-CD2 3.35Å; L66-Y70 PolarHBondContact O-N 3.5Å; Y70-I72 VanDerWaalsContact C-N 3.35Å; Y70-I72 PolarHBondContact O-N 3.45Å; Y70-Q73 PolarHBondContact O-N 3.43Å; Y70-L74 WeakPolarHBondContact O-CB 3.42Å; Y70-L74 PolarHBondContact O-N 2.96Å |
| 71 | S | 89.1 | Confident | 89.5 | Confident | 66 Ų | 66 | 95.5 Ų | 95.5 | 46% | 0.462 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -41.7 | 177.5 | -62 | 0 | 0 | 0 | 0 | 111.8 | S67 N68 Y69 L74 S75 | S67-S71 WeakPolarHBondContact O-CB 3.49Å; S67-S71 PolarHBondContact O-N 2.91Å; S67-S71 PolarHBondContact O-OG 3.48Å; N68-S71 PolarHBondContact O-N 3.32Å; Y69-S71 VanDerWaalsContact C-N 3.34Å; Y69-S71 PolarHBondContact O-N 3Å; S71-L74 PolarHBondContact O-N 3.38Å; S71-S75 WeakPolarHBondContact O-CB 3.38Å; S71-S75 PolarHBondContact O-N 2.95Å |
| 72 | I | 89.3 | Confident | 89.4 | Confident | 105 Ų | 105 | 98.9 Ų | 98.9 | 54% | 0.538 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.3 | -47.1 | 175.4 | -67 | 164.4 | 0 | 0 | 0 | 110.8 | N68 Y69 Y70 L74 S75 N76 | N68-I72 VanDerWaalsContact O-CG1 3.31Å; N68-I72 WeakPolarHBondContact O-CG1 3.35Å; N68-I72 PolarHBondContact O-N 3.46Å; Y69-I72 PolarHBondContact O-N 3.24Å; Y70-I72 VanDerWaalsContact C-N 3.35Å; Y70-I72 PolarHBondContact O-N 3.45Å; I72-L74 VanDerWaalsContact C-N 3.3Å; I72-L74 PolarHBondContact O-N 2.78Å; I72-S75 PolarHBondContact O-N 3.48Å; I72-N76 WeakPolarHBondContact O-CB 3.36Å; I72-N76 PolarHBondContact O-N 3.24Å; I72-N76 PolarHBondContact O-ND2 3.39Å |
| 73 | Q | 87.4 | Confident | 89.2 | Confident | 88 Ų | 88 | 102.5 Ų | 102.5 | 41% | 0.411 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 176.9 | -75.6 | -160.8 | -11.4 | 0 | 0 | 112 | Y69 Y70 N76 S77 | Y69-Q73 HydrophobicContact CD1-CG 4.45Å; Y69-Q73 HydrophobicContact CE1-CG 4.19Å; Y69-Q73 WeakPolarHBondContact O-CG 3.42Å; Y69-Q73 PolarHBondContact O-N 2.77Å; Y69-Q73 PolarHBondContact OH-NE2 2.94Å; Y70-Q73 PolarHBondContact O-N 3.43Å; Q73-N76 PolarHBondContact O-N 3.47Å; Q73-S77 WeakPolarHBondContact O-CB 3.38Å; Q73-S77 PolarHBondContact O-N 2.97Å |
| 74 | L | 86.6 | Confident | 89.1 | Confident | 95 Ų | 95 | 102 Ų | 102 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 179.5 | -173.6 | 64.1 | 0 | 0 | 0 | 110.6 | Y70 S71 I72 N76 S77 Y78 | Y70-L74 WeakPolarHBondContact O-CB 3.42Å; Y70-L74 PolarHBondContact O-N 2.96Å; S71-L74 PolarHBondContact O-N 3.38Å; I72-L74 VanDerWaalsContact C-N 3.3Å; I72-L74 PolarHBondContact O-N 2.78Å; L74-N76 PolarHBondContact O-N 2.89Å; L74-S77 WeakPolarHBondContact O-CB 3.38Å; L74-S77 PolarHBondContact O-N 3.5Å; L74-Y78 HydrophobicContact CD1-CD2 3.94Å; L74-Y78 HydrophobicContact CD1-CE2 3.44Å; L74-Y78 VanDerWaalsContact CD1-CE2 3.44Å; L74-Y78 HydrophobicContact CD2-CE2 3.89Å; L74-Y78 HydrophobicContact CG-CD2 3.71Å; L74-Y78 HydrophobicContact CG-CE2 3.41Å; L74-Y78 VanDerWaalsContact CG-CE2 3.41Å; L74-Y78 WeakPolarHBondContact O-CD2 3.19Å; L74-Y78 PolarHBondContact O-N 3.37Å |
| 75 | S | 87.1 | Confident | 89 | Confident | 65 Ų | 65 | 105.1 Ų | 105.1 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.8 | -49 | 173.9 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | S71 I72 S77 Y78 V79 | S71-S75 WeakPolarHBondContact O-CB 3.38Å; S71-S75 PolarHBondContact O-N 2.95Å; I72-S75 PolarHBondContact O-N 3.48Å; S75-S77 VanDerWaalsContact C-N 3.29Å; S75-S77 PolarHBondContact O-N 2.9Å; S75-Y78 PolarHBondContact O-N 2.94Å; S75-V79 WeakPolarHBondContact O-CG2 3.46Å; S75-V79 PolarHBondContact O-N 3.28Å |
| 76 | N | 86.6 | Confident | 89.1 | Confident | 103 Ų | 103 | 103.5 Ų | 103.5 | 55% | 0.551 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.4 | -39.7 | 177.1 | -71.9 | -21.4 | 0 | 0 | 0 | 112.1 | I72 Q73 L74 V79 L80 | I72-N76 WeakPolarHBondContact O-CB 3.36Å; I72-N76 PolarHBondContact O-N 3.24Å; I72-N76 PolarHBondContact O-ND2 3.39Å; Q73-N76 PolarHBondContact O-N 3.47Å; L74-N76 PolarHBondContact O-N 2.89Å; N76-V79 PolarHBondContact O-N 3.03Å; N76-L80 WeakPolarHBondContact O-CB 3.34Å; N76-L80 PolarHBondContact O-N 3.3Å |
| 77 | S | 88.2 | Confident | 89.1 | Confident | 51 Ų | 51 | 104.7 Ų | 104.7 | 36% | 0.357 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 175.7 | -171.4 | 0 | 0 | 0 | 0 | 112.2 | Q73 L74 S75 L80 K81 | Q73-S77 WeakPolarHBondContact O-CB 3.38Å; Q73-S77 PolarHBondContact O-N 2.97Å; L74-S77 WeakPolarHBondContact O-CB 3.38Å; L74-S77 PolarHBondContact O-N 3.5Å; S75-S77 VanDerWaalsContact C-N 3.29Å; S75-S77 PolarHBondContact O-N 2.9Å; S77-L80 PolarHBondContact O-N 2.95Å; S77-K81 WeakPolarHBondContact O-CB 3.15Å; S77-K81 WeakPolarHBondContact O-CG 3.42Å; S77-K81 PolarHBondContact O-N 3.47Å |
| 78 | Y | 87.3 | Confident | 89.1 | Confident | 146 Ų | 146 | 107.9 Ų | 107.9 | 57% | 0.573 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 175.3 | -83.4 | -69 | 0 | 0 | 0 | 112.1 | L74 S75 L80 K81 Y82 | L74-Y78 HydrophobicContact CD1-CD2 3.94Å; L74-Y78 HydrophobicContact CD1-CE2 3.44Å; L74-Y78 VanDerWaalsContact CD1-CE2 3.44Å; L74-Y78 HydrophobicContact CD2-CE2 3.89Å; L74-Y78 HydrophobicContact CG-CD2 3.71Å; L74-Y78 HydrophobicContact CG-CE2 3.41Å; L74-Y78 VanDerWaalsContact CG-CE2 3.41Å; L74-Y78 WeakPolarHBondContact O-CD2 3.19Å; L74-Y78 PolarHBondContact O-N 3.37Å; S75-Y78 PolarHBondContact O-N 2.94Å; Y78-L80 VanDerWaalsContact C-N 3.33Å; Y78-L80 PolarHBondContact O-N 2.87Å; Y78-K81 PolarHBondContact O-N 3.36Å; Y78-Y82 WeakPolarHBondContact O-CB 3.37Å; Y78-Y82 PolarHBondContact O-N 2.87Å |
| 79 | V | 82.3 | Confident | 89 | Confident | 69 Ų | 69 | 106 Ų | 106 | 42% | 0.418 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 175.9 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | S75 N76 Y82 R83 | S75-V79 WeakPolarHBondContact O-CG2 3.46Å; S75-V79 PolarHBondContact O-N 3.28Å; N76-V79 PolarHBondContact O-N 3.03Å; V79-Y82 PolarHBondContact O-N 3.48Å; V79-R83 WeakPolarHBondContact O-CG 3.44Å; V79-R83 PolarHBondContact O-N 3.48Å |
| 80 | L | 84.5 | Confident | 89.1 | Confident | 113 Ų | 113 | 105.9 Ų | 105.9 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.4 | -46.7 | 176.4 | -172 | 68.6 | 0 | 0 | 0 | 111.4 | N76 S77 Y78 Y82 R83 V84 | N76-L80 WeakPolarHBondContact O-CB 3.34Å; N76-L80 PolarHBondContact O-N 3.3Å; S77-L80 PolarHBondContact O-N 2.95Å; Y78-L80 VanDerWaalsContact C-N 3.33Å; Y78-L80 PolarHBondContact O-N 2.87Å; L80-Y82 VanDerWaalsContact C-N 3.29Å; L80-Y82 PolarHBondContact O-N 3.47Å; L80-R83 PolarHBondContact O-N 2.99Å; L80-V84 VanDerWaalsContact O-CG2 3.31Å; L80-V84 WeakPolarHBondContact O-CG2 3.1Å; L80-V84 PolarHBondContact O-N 3.28Å |
| 81 | K | 89.3 | Confident | 89.1 | Confident | 137 Ų | 137 | 104.2 Ų | 104.2 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57.5 | -42.5 | 175.6 | -77.4 | -178.3 | -172.4 | -179 | 0 | 111.5 | S77 Y78 V84 Y85 | S77-K81 WeakPolarHBondContact O-CB 3.15Å; S77-K81 WeakPolarHBondContact O-CG 3.42Å; S77-K81 PolarHBondContact O-N 3.47Å; Y78-K81 PolarHBondContact O-N 3.36Å; K81-V84 PolarHBondContact O-N 3.25Å; K81-Y85 WeakPolarHBondContact O-CB 3.26Å; K81-Y85 PolarHBondContact O-N 3.1Å |
| 82 | Y | 88.8 | Confident | 89.3 | Confident | 165 Ų | 165 | 105.5 Ų | 105.5 | 65% | 0.647 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.2 | -45.6 | 177.6 | -172.5 | -97.8 | 0 | 0 | 0 | 111.7 | Y78 V79 L80 V84 Y85 T86 | Y78-Y82 WeakPolarHBondContact O-CB 3.37Å; Y78-Y82 PolarHBondContact O-N 2.87Å; V79-Y82 PolarHBondContact O-N 3.48Å; L80-Y82 VanDerWaalsContact C-N 3.29Å; L80-Y82 PolarHBondContact O-N 3.47Å; Y82-V84 PolarHBondContact O-N 2.9Å; Y82-Y85 PolarHBondContact O-N 3.11Å; Y82-T86 PolarHBondContact O-N 3.09Å; Y82-T86 PolarHBondContact O-OG1 3.13Å; Y82-T86 VanDerWaalsContact O-OG1 3.08Å |
| 83 | R | 88.6 | Confident | 89.4 | Confident | 166 Ų | 166 | 102.6 Ų | 102.6 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.5 | -45 | 175.9 | -73.9 | -177.9 | 178.8 | -163.4 | 1 | 112.1 | V79 L80 Y85 T86 I87 | V79-R83 WeakPolarHBondContact O-CG 3.44Å; V79-R83 PolarHBondContact O-N 3.48Å; L80-R83 PolarHBondContact O-N 2.99Å; R83-Y85 VanDerWaalsContact C-N 3.33Å; R83-Y85 PolarHBondContact O-N 2.91Å; R83-T86 PolarHBondContact O-N 3.35Å; R83-I87 WeakPolarHBondContact O-CG1 3.42Å; R83-I87 PolarHBondContact O-N 3.5Å |
| 84 | V | 90.3 | Very high | 89.7 | Confident | 87 Ų | 87 | 104.6 Ų | 104.6 | 53% | 0.527 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 176.8 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | L80 K81 Y82 I87 K88 | L80-V84 VanDerWaalsContact O-CG2 3.31Å; L80-V84 WeakPolarHBondContact O-CG2 3.1Å; L80-V84 PolarHBondContact O-N 3.28Å; K81-V84 PolarHBondContact O-N 3.25Å; Y82-V84 PolarHBondContact O-N 2.9Å; V84-I87 PolarHBondContact O-N 2.92Å; V84-K88 WeakPolarHBondContact O-CB 3.33Å; V84-K88 PolarHBondContact O-N 3.48Å |
| 85 | Y | 92.5 | Very high | 89.9 | Confident | 163 Ų | 163 | 102 Ų | 102 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.5 | -44.6 | 176.9 | -177.7 | -98.9 | 0 | 0 | 0 | 112.2 | K81 Y82 R83 K88 S89 | K81-Y85 WeakPolarHBondContact O-CB 3.26Å; K81-Y85 PolarHBondContact O-N 3.1Å; Y82-Y85 PolarHBondContact O-N 3.11Å; R83-Y85 VanDerWaalsContact C-N 3.33Å; R83-Y85 PolarHBondContact O-N 2.91Å; Y85-K88 PolarHBondContact O-N 3.23Å; Y85-S89 PolarHBondContact O-N 2.83Å; Y85-S89 PolarHBondContact O-OG 3.43Å |
| 86 | T | 92.2 | Very high | 90.1 | Very high | 43 Ų | 43 | 102.7 Ų | 102.7 | 26% | 0.264 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 177.8 | -60.3 | 0 | 0 | 0 | 0 | 112.4 | Y82 R83 S89 H90 | Y82-T86 PolarHBondContact O-N 3.09Å; Y82-T86 PolarHBondContact O-OG1 3.13Å; Y82-T86 VanDerWaalsContact O-OG1 3.08Å; R83-T86 PolarHBondContact O-N 3.35Å; T86-S89 PolarHBondContact O-N 3.35Å; T86-S89 PolarHBondContact O-OG 3.26Å; T86-H90 PolarHBondContact O-CD2 3Å; T86-H90 PolarHBondContact O-N 3.48Å |
| 87 | I | 93.2 | Very high | 90.3 | Very high | 104 Ų | 104 | 102.2 Ų | 102.2 | 53% | 0.533 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 174.2 | -67.4 | 165.6 | 0 | 0 | 0 | 110.2 | R83 V84 S89 H90 L91 | R83-I87 WeakPolarHBondContact O-CG1 3.42Å; R83-I87 PolarHBondContact O-N 3.5Å; V84-I87 PolarHBondContact O-N 2.92Å; I87-S89 PolarHBondContact O-N 3.04Å; I87-H90 PolarHBondContact O-N 2.96Å; I87-L91 HydrophobicContact CG2-CD1 4.03Å; I87-L91 HydrophobicContact CG2-CG 4.41Å; I87-L91 WeakPolarHBondContact O-CG 3.41Å; I87-L91 PolarHBondContact O-N 3.03Å |
| 88 | K | 93.1 | Very high | 90.4 | Very high | 135 Ų | 135 | 104.4 Ų | 104.4 | 59% | 0.587 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.8 | -43.5 | 178.4 | -171.9 | 176.9 | -179.5 | 179.6 | 0 | 111.7 | V84 Y85 L91 I92 | V84-K88 WeakPolarHBondContact O-CB 3.33Å; V84-K88 PolarHBondContact O-N 3.48Å; Y85-K88 PolarHBondContact O-N 3.23Å; K88-L91 PolarHBondContact O-N 2.85Å; K88-I92 HydrophobicContact CG-CD1 4.13Å; K88-I92 VanDerWaalsContact O-CG1 3.29Å; K88-I92 WeakPolarHBondContact O-CG1 3.34Å; K88-I92 PolarHBondContact O-N 3.26Å |
| 89 | S | 90.9 | Very high | 90.5 | Very high | 48 Ų | 48 | 103.8 Ų | 103.8 | 34% | 0.336 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.8 | -41.1 | 178.2 | 69.1 | 0 | 0 | 0 | 0 | 111.8 | Y85 T86 I87 I92 A93 | Y85-S89 PolarHBondContact O-N 2.83Å; Y85-S89 PolarHBondContact O-OG 3.43Å; T86-S89 PolarHBondContact O-N 3.35Å; T86-S89 PolarHBondContact O-OG 3.26Å; I87-S89 PolarHBondContact O-N 3.04Å; S89-I92 PolarHBondContact O-N 3.43Å; S89-A93 WeakPolarHBondContact O-CB 3.27Å; S89-A93 PolarHBondContact O-N 3.48Å |
| 90 | H | 92.1 | Very high | 90.8 | Very high | 130 Ų | 130 | 107.8 Ų | 107.8 | 60% | 0.602 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.9 | -42.5 | 173.9 | -86 | -64.7 | 0 | 0 | 0 | 113 | T86 I87 A93 K94 | T86-H90 PolarHBondContact O-CD2 3Å; T86-H90 PolarHBondContact O-N 3.48Å; I87-H90 PolarHBondContact O-N 2.96Å; H90-A93 PolarHBondContact O-N 3.04Å; H90-K94 WeakPolarHBondContact O-CB 3.28Å; H90-K94 PolarHBondContact O-N 2.9Å |
| 91 | L | 92.6 | Very high | 91 | Very high | 110 Ų | 110 | 109 Ų | 109 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -42.4 | 177.1 | -72.1 | 173.3 | 0 | 0 | 0 | 111.8 | I87 K88 K94 A95 | I87-L91 HydrophobicContact CG2-CD1 4.03Å; I87-L91 HydrophobicContact CG2-CG 4.41Å; I87-L91 WeakPolarHBondContact O-CG 3.41Å; I87-L91 PolarHBondContact O-N 3.03Å; K88-L91 PolarHBondContact O-N 2.85Å; L91-K94 PolarHBondContact O-N 3.43Å; L91-A95 WeakPolarHBondContact O-CB 3.44Å; L91-A95 PolarHBondContact O-N 3.25Å |
| 92 | I | 92.7 | Very high | 90.8 | Very high | 92 Ų | 92 | 109.2 Ų | 109.2 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 175.5 | -67.3 | 165.3 | 0 | 0 | 0 | 110.6 | K88 S89 K94 A95 N96 | K88-I92 HydrophobicContact CG-CD1 4.13Å; K88-I92 VanDerWaalsContact O-CG1 3.29Å; K88-I92 WeakPolarHBondContact O-CG1 3.34Å; K88-I92 PolarHBondContact O-N 3.26Å; S89-I92 PolarHBondContact O-N 3.43Å; I92-K94 PolarHBondContact O-N 2.89Å; I92-A95 PolarHBondContact O-N 2.86Å; I92-N96 WeakPolarHBondContact O-CB 3.26Å; I92-N96 PolarHBondContact O-N 3.49Å; I92-N96 PolarHBondContact O-ND2 2.91Å |
| 93 | A | 91.7 | Very high | 90.7 | Very high | 45 Ų | 45 | 108.6 Ų | 108.6 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61 | -45.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | S89 H90 N96 I97 | S89-A93 WeakPolarHBondContact O-CB 3.27Å; S89-A93 PolarHBondContact O-N 3.48Å; H90-A93 PolarHBondContact O-N 3.04Å; A93-N96 PolarHBondContact O-N 2.91Å; A93-I97 VanDerWaalsContact O-CG1 3.29Å; A93-I97 WeakPolarHBondContact O-CG1 3.46Å; A93-I97 PolarHBondContact O-N 2.95Å |
| 94 | K | 92.6 | Very high | 90.4 | Very high | 130 Ų | 130 | 108 Ų | 108 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.4 | -47.2 | 176.5 | -171.2 | 178.1 | 178.9 | -178.2 | 0 | 111.6 | H90 L91 I92 N96 I97 E98 | H90-K94 WeakPolarHBondContact O-CB 3.28Å; H90-K94 PolarHBondContact O-N 2.9Å; L91-K94 PolarHBondContact O-N 3.43Å; I92-K94 PolarHBondContact O-N 2.89Å; K94-N96 VanDerWaalsContact C-N 3.3Å; K94-N96 PolarHBondContact O-N 2.78Å; K94-I97 PolarHBondContact O-N 3.41Å; K94-E98 WeakPolarHBondContact O-CG 3.28Å; K94-E98 PolarHBondContact O-N 3.13Å |
| 95 | A | 91.5 | Very high | 89.9 | Confident | 40 Ų | 40 | 110.7 Ų | 110.7 | 33% | 0.331 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.5 | -39 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L91 I92 E98 K99 | L91-A95 WeakPolarHBondContact O-CB 3.44Å; L91-A95 PolarHBondContact O-N 3.25Å; I92-A95 PolarHBondContact O-N 2.86Å; A95-E98 PolarHBondContact O-N 3.35Å; A95-K99 WeakPolarHBondContact O-CG 3.42Å; A95-K99 PolarHBondContact O-N 3.1Å |
| 96 | N | 90.9 | Very high | 89.2 | Confident | 80 Ų | 80 | 110.3 Ų | 110.3 | 43% | 0.428 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 176 | -77.9 | -23.4 | 0 | 0 | 0 | 112.5 | I92 A93 K94 K99 K100 | I92-N96 WeakPolarHBondContact O-CB 3.26Å; I92-N96 PolarHBondContact O-N 3.49Å; I92-N96 PolarHBondContact O-ND2 2.91Å; A93-N96 PolarHBondContact O-N 2.91Å; K94-N96 VanDerWaalsContact C-N 3.3Å; K94-N96 PolarHBondContact O-N 2.78Å; N96-K99 PolarHBondContact O-N 3.06Å; N96-K100 WeakPolarHBondContact O-CG 3.32Å; N96-K100 PolarHBondContact O-N 2.98Å |
| 97 | I | 91.5 | Very high | 88.5 | Confident | 93 Ų | 93 | 115.6 Ų | 115.6 | 48% | 0.477 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 174.6 | -68.2 | 163.4 | 0 | 0 | 0 | 110.2 | A93 K94 K99 K100 K101 | A93-I97 VanDerWaalsContact O-CG1 3.29Å; A93-I97 WeakPolarHBondContact O-CG1 3.46Å; A93-I97 PolarHBondContact O-N 2.95Å; K94-I97 PolarHBondContact O-N 3.41Å; I97-K99 PolarHBondContact O-N 3.23Å; I97-K100 PolarHBondContact O-N 3.26Å; I97-K101 HydrophobicContact CG2-CD 4.33Å; I97-K101 HydrophobicContact CG2-CG 4.5Å; I97-K101 WeakPolarHBondContact O-CG 3.4Å; I97-K101 PolarHBondContact O-N 3.09Å |
| 98 | E | 90.1 | Very high | 87.7 | Confident | 96 Ų | 96 | 117.3 Ų | 117.3 | 45% | 0.449 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.4 | -42.9 | 177 | -72.7 | 179.3 | -171.1 | 0 | 0 | 112.1 | K94 A95 K100 K101 K102 | K94-E98 WeakPolarHBondContact O-CG 3.28Å; K94-E98 PolarHBondContact O-N 3.13Å; A95-E98 PolarHBondContact O-N 3.35Å; E98-K100 PolarHBondContact O-N 2.93Å; E98-K101 PolarHBondContact O-N 2.65Å; E98-K102 WeakPolarHBondContact O-CG 3.49Å; E98-K102 PolarHBondContact O-N 3.21Å |
| 99 | K | 89.6 | Confident | 86.8 | Confident | 134 Ų | 134 | 116.5 Ų | 116.5 | 58% | 0.583 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.2 | -44.1 | 172.9 | -75.6 | 178.6 | -178.7 | 179.5 | 0 | 111.6 | A95 N96 I97 K102 K103 | A95-K99 WeakPolarHBondContact O-CG 3.42Å; A95-K99 PolarHBondContact O-N 3.1Å; N96-K99 PolarHBondContact O-N 3.06Å; I97-K99 PolarHBondContact O-N 3.23Å; K99-K102 PolarHBondContact O-N 3.48Å; K99-K103 WeakPolarHBondContact O-CG 3.45Å; K99-K103 PolarHBondContact O-N 2.88Å |
| 100 | K | 88.4 | Confident | 86 | Confident | 153 Ų | 153 | 121.7 Ų | 121.7 | 67% | 0.665 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63 | -42.9 | 176 | -76 | -176.9 | 179.9 | -178.2 | 0 | 111.7 | N96 I97 E98 K103 K104 | N96-K100 WeakPolarHBondContact O-CG 3.32Å; N96-K100 PolarHBondContact O-N 2.98Å; I97-K100 PolarHBondContact O-N 3.26Å; E98-K100 PolarHBondContact O-N 2.93Å; K100-K103 PolarHBondContact O-N 3.18Å; K100-K104 PolarHBondContact O-N 3.41Å |
| 101 | K | 88.3 | Confident | 84.9 | Confident | 137 Ų | 137 | 122.2 Ų | 122.2 | 60% | 0.596 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.2 | -45.6 | 175.4 | -73.8 | -177.7 | 179.9 | -176.7 | 0 | 111.7 | I97 E98 K103 K104 K105 | I97-K101 HydrophobicContact CG2-CD 4.33Å; I97-K101 HydrophobicContact CG2-CG 4.5Å; I97-K101 WeakPolarHBondContact O-CG 3.4Å; I97-K101 PolarHBondContact O-N 3.09Å; E98-K101 PolarHBondContact O-N 2.65Å; K101-K103 PolarHBondContact O-N 2.9Å; K101-K104 PolarHBondContact O-N 3.3Å; K101-K105 PolarHBondContact O-N 2.89Å |
| 102 | K | 85.4 | Confident | 83.8 | Confident | 142 Ų | 142 | 126.1 Ų | 126.1 | 62% | 0.617 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.5 | -42.7 | 175.4 | -72.6 | -176.6 | -178 | -177.8 | 0 | 112 | E98 K99 K105 K106 | E98-K102 WeakPolarHBondContact O-CG 3.49Å; E98-K102 PolarHBondContact O-N 3.21Å; K99-K102 PolarHBondContact O-N 3.48Å; K102-K105 PolarHBondContact O-N 3.3Å; K102-K106 PolarHBondContact O-N 2.76Å |
| 103 | K | 85.6 | Confident | 82.5 | Confident | 153 Ų | 153 | 129.1 Ų | 129.1 | 67% | 0.665 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -61.8 | -42.7 | 175 | -73.9 | -175 | -179.6 | -172.5 | 0 | 112.1 | K99 K100 K101 K106 K107 | K99-K103 WeakPolarHBondContact O-CG 3.45Å; K99-K103 PolarHBondContact O-N 2.88Å; K100-K103 PolarHBondContact O-N 3.18Å; K101-K103 PolarHBondContact O-N 2.9Å; K103-K106 PolarHBondContact O-N 2.85Å; K103-K107 PolarHBondContact O-N 3.22Å; K103-K107 VanDerWaalsContact O-N 3.13Å |
| 104 | K | 83 | Confident | 81.1 | Confident | 153 Ų | 153 | 136.9 Ų | 136.9 | 67% | 0.665 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62 | -46.7 | 175.9 | -75.4 | -172.3 | 174.9 | -170.5 | 0 | 112.1 | K100 K101 K106 K107 Q108 | K100-K104 PolarHBondContact O-N 3.41Å; K101-K104 PolarHBondContact O-N 3.3Å; K104-K106 VanDerWaalsContact C-N 3.35Å; K104-K106 PolarHBondContact O-N 2.76Å; K104-K107 PolarHBondContact O-N 3.03Å; K104-K107 VanDerWaalsContact O-N 3.13Å; K104-Q108 PolarHBondContact O-N 3.19Å |
| 105 | K | 79.4 | Confident | 79.2 | Confident | 143 Ų | 143 | 137.8 Ų | 137.8 | 62% | 0.622 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -58.5 | -43.8 | 176.1 | -72.7 | -170.5 | 174.4 | -168.3 | 0 | 112.2 | K101 K102 K107 Q108 I109 | K101-K105 PolarHBondContact O-N 2.89Å; K102-K105 PolarHBondContact O-N 3.3Å; K105-K107 VanDerWaalsContact C-N 3.32Å; K105-K107 PolarHBondContact O-N 3.46Å; K105-Q108 PolarHBondContact O-N 2.64Å; K105-I109 WeakPolarHBondContact O-CG1 3.3Å; K105-I109 PolarHBondContact O-N 3.5Å; K105-I109 VanDerWaalsContact O-N 3.09Å |
| 106 | K | 79 | Confident | 78.6 | Confident | 155 Ų | 155 | 142.7 Ų | 142.7 | 67% | 0.674 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -61.5 | -36.1 | 175.8 | -74.7 | -171.1 | 176.7 | -168.3 | 0 | 113.1 | K102 K103 K104 K110 | K102-K106 PolarHBondContact O-N 2.76Å; K103-K106 PolarHBondContact O-N 2.85Å; K104-K106 VanDerWaalsContact C-N 3.35Å; K104-K106 PolarHBondContact O-N 2.76Å; K106-K110 PolarHBondContact O-N 3.11Å |
| 107 | K | 76.9 | Confident | 77.9 | Confident | 155 Ų | 155 | 146 Ų | 146 | 67% | 0.674 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -68.8 | -41.5 | 174.8 | -71.3 | -170.5 | 176.6 | -166.7 | 0 | 112.1 | K103 K104 K105 I109 K110 N111 | K103-K107 PolarHBondContact O-N 3.22Å; K103-K107 VanDerWaalsContact O-N 3.13Å; K104-K107 PolarHBondContact O-N 3.03Å; K104-K107 VanDerWaalsContact O-N 3.13Å; K105-K107 VanDerWaalsContact C-N 3.32Å; K105-K107 PolarHBondContact O-N 3.46Å; K107-I109 PolarHBondContact O-N 3.4Å; K107-K110 PolarHBondContact O-N 2.96Å; K107-N111 PolarHBondContact O-N 2.95Å; K107-N111 VanDerWaalsContact O-N 3.15Å; K107-N111 PolarHBondContact O-OD1 3.32Å |
| 108 | Q | 75.6 | Confident | 77.2 | Confident | 139 Ų | 139 | 148.9 Ų | 148.9 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -62.3 | -41.5 | 177.9 | -75.4 | 179.1 | -31.4 | 0 | 0 | 112.5 | K104 K105 K110 N111 F112 | K104-Q108 PolarHBondContact O-N 3.19Å; K105-Q108 PolarHBondContact O-N 2.64Å; Q108-K110 VanDerWaalsContact C-N 3.33Å; Q108-K110 PolarHBondContact O-N 3.37Å; Q108-N111 PolarHBondContact O-N 3.23Å; Q108-F112 PolarHBondContact O-N 3.2Å |
| 109 | I | 75 | Confident | 76.4 | Confident | 119 Ų | 119 | 152.1 Ų | 152.1 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -62.4 | -41.1 | 177.8 | -64.6 | 164.1 | 0 | 0 | 0 | 111.1 | K105 K107 N111 F112 | K105-I109 WeakPolarHBondContact O-CG1 3.3Å; K105-I109 PolarHBondContact O-N 3.5Å; K105-I109 VanDerWaalsContact O-N 3.09Å; K107-I109 PolarHBondContact O-N 3.4Å; I109-N111 VanDerWaalsContact C-N 3.31Å; I109-N111 PolarHBondContact O-N 2.79Å; I109-F112 PolarHBondContact O-N 2.65Å |
| 110 | K | 74 | Confident | 75.6 | Confident | 157 Ų | 157 | 153.2 Ų | 153.2 | 68% | 0.683 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -65.8 | -32.8 | 176.9 | -71.6 | -170.2 | 174.8 | -161.9 | 0 | 113.1 | K106 K107 Q108 F112 | K106-K110 PolarHBondContact O-N 3.11Å; K107-K110 PolarHBondContact O-N 2.96Å; Q108-K110 VanDerWaalsContact C-N 3.33Å; Q108-K110 PolarHBondContact O-N 3.37Å; K110-F112 VanDerWaalsContact C-N 3.27Å; K110-F112 PolarHBondContact O-N 3.08Å |
| 111 | N | 69.4 | Low | 74.7 | Confident | 141 Ų | 141 | 153.2 Ų | 153.2 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -78.2 | -8.9 | 179.1 | -71.6 | 11.7 | 0 | 0 | 0 | 113.5 | K107 Q108 I109 | K107-N111 PolarHBondContact O-N 2.95Å; K107-N111 VanDerWaalsContact O-N 3.15Å; K107-N111 PolarHBondContact O-OD1 3.32Å; Q108-N111 PolarHBondContact O-N 3.23Å; I109-N111 VanDerWaalsContact C-N 3.31Å; I109-N111 PolarHBondContact O-N 2.79Å |
| 112 | F | 69.2 | Low | 73.8 | Confident | 192 Ų | 192 | 154.4 Ų | 154.4 | 84% | 0.842 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -10.8 | 176.4 | -166.1 | -100.5 | 0 | 0 | 0 | 113 | Q108 I109 K110 | Q108-F112 PolarHBondContact O-N 3.2Å; I109-F112 PolarHBondContact O-N 2.65Å; K110-F112 VanDerWaalsContact C-N 3.27Å; K110-F112 PolarHBondContact O-N 3.08Å |
| 113 | Q | 65.2 | Low | 72.9 | Confident | 155 Ų | 155 | 155.3 Ų | 155.3 | 72% | 0.724 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -95.5 | 16.8 | -167 | -152.5 | 172.2 | -11.5 | 0 | 0 | 115.3 | ||
| 114 | F | 62.8 | Low | 71.8 | Confident | 207 Ų | 207 | 155.5 Ų | 155.5 | 91% | 0.908 | 78% | 0.779 | S | S | * | * | trans | -144.4 | 63.7 | -179.9 | -79.3 | -81.3 | 0 | 0 | 0 | 112.9 | ||||
| 115 | G | 52.3 | Low | 70.8 | Confident | 150 Ų | 150 | 155.7 Ų | 155.7 | 100% | 1.546 | 79% | 0.79 | S | S | * | * | trans | -126.2 | 0 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.4 |
Retrieved 115 of 115 residues in 17.9 ms
(Link to these results)