| 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 | 36.1 | Very low | 33.7 | Very low | 233 Ų | 233 | 139.5 Ų | 139.5 | 100% | 1.148 | 86% | 0.855 | S | S | * | * | 0 | 47.1 | 0 | -158 | 179.4 | -78.4 | 0 | 0 | 111.4 | |||||
| 2 | V | 32.3 | Very low | 33.9 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 89% | 0.885 | 86% | 0.856 | S | S | * | * | trans | -137.9 | 10.4 | 170.5 | -179 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 3 | A | 33.1 | Very low | 34 | Very low | 86 Ų | 86 | 131.8 Ų | 131.8 | 71% | 0.711 | 85% | 0.849 | S | S | * | * | S | Bend | trans | -104.1 | -8.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 4 | D | 31.9 | Very low | 34.8 | Very low | 143 Ų | 143 | 139.1 Ų | 139.1 | 77% | 0.765 | 85% | 0.851 | S | S | * | * | S | Bend | trans | -113.6 | 7.8 | -169.6 | -69 | -45.8 | 0 | 0 | 0 | 115.7 | ||
| 5 | I | 34.1 | Very low | 35.5 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 84% | 0.836 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -96.9 | 3.9 | 178.7 | -61.7 | 178.1 | 0 | 0 | 0 | 113 | ||
| 6 | M | 34.6 | Very low | 36.6 | Very low | 185 Ų | 185 | 151.4 Ų | 151.4 | 91% | 0.911 | 86% | 0.857 | S | S | * | * | S | Bend | trans | -99.4 | 7.6 | 178.9 | -70.5 | -172 | 74 | 0 | 0 | 115.4 | ||
| 7 | N | 34.1 | Very low | 38.7 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -112.5 | 13.9 | -175.1 | -93.4 | -7.4 | 0 | 0 | 0 | 116.1 | ||
| 8 | S | 33 | Very low | 41.1 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -144 | 83.6 | 174.5 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 9 | A | 30.6 | Very low | 43.4 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | trans | -158.4 | 106.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 10 | G | 30.5 | Very low | 45.5 | Very low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | trans | -67 | 146.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 11 | S | 40.7 | Very low | 47.6 | Very low | 126 Ų | 126 | 133.9 Ų | 133.9 | 88% | 0.881 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 41.4 | 76.7 | 148.6 | 66.2 | 0 | 0 | 0 | 0 | 118.7 | ||
| 12 | A | 36 | Very low | 50.2 | Low | 105 Ų | 105 | 123.1 Ų | 123.1 | 87% | 0.868 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -167.2 | 124.1 | 144.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 13 | G | 35.4 | Very low | 53.1 | Low | 74 Ų | 74 | 122.2 Ų | 122.2 | 76% | 0.763 | 68% | 0.679 | S | S | * | * | trans | 90.7 | 80.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | R15 | G13-R15 PolarHBondContact O-N 3.45Š| ||
| 14 | R | 44.4 | Very low | 56 | Low | 234 Ų | 234 | 120.1 Ų | 120.1 | 88% | 0.883 | 66% | 0.658 | S | S | * | * | trans | -64.4 | 83.1 | 165.5 | -157.9 | -175.4 | -71.2 | -158.6 | 1 | 107.8 | W16 | R14-W16 PolarHBondContact O-N 3.5Š| ||
| 15 | R | 45.9 | Very low | 59 | Low | 239 Ų | 239 | 113.3 Ų | 113.3 | 90% | 0.902 | 62% | 0.621 | S | S | * | * | trans | -58.2 | 102.1 | -179.4 | -159.3 | 173.9 | -174.8 | 178.7 | 1.6 | 107.4 | G13 S17 | G13-R15 PolarHBondContact O-N 3.45Å; R15-S17 PolarHBondContact O-N 2.69Å | ||
| 16 | W | 53.8 | Low | 61.8 | Low | 236 Ų | 236 | 105.9 Ų | 105.9 | 89% | 0.894 | 58% | 0.584 | S | S | * | * | trans | -60.8 | 88.8 | 175.2 | -98.7 | 30.7 | 0 | 0 | 0 | 107.9 | R14 P18 | R14-W16 PolarHBondContact O-N 3.5Å; W16-P18 WeakPolarHBondContact O-CD 3.43Å | ||
| 17 | S | 71.5 | Confident | 64.7 | Low | 48 Ų | 48 | 102.2 Ų | 102.2 | 34% | 0.336 | 57% | 0.567 | S | S | . | * | trans | -73.4 | 117.9 | 165.5 | 172.2 | 0 | 0 | 0 | 0 | 106.7 | R15 F19 R20 | R15-S17 PolarHBondContact O-N 2.69Å; S17-F19 PolarHBondContact O-N 2.75Å; S17-F19 PolarHBondContact OG-N 2.68Å; S17-R20 PolarHBondContact O-N 3.32Å | ||
| 18 | P | 81.7 | Confident | 67.7 | Low | 77 Ų | 77 | 95.4 Ų | 95.4 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -57.6 | -24.2 | 177.9 | 23.2 | -32.7 | 0 | 0 | 0 | 111.8 | W16 R20 S21 V24 | W16-P18 WeakPolarHBondContact O-CD 3.43Å; P18-R20 PolarHBondContact O-N 2.89Å; P18-S21 WeakPolarHBondContact O-CB 3.5Å; P18-S21 PolarHBondContact O-N 3.41Å; P18-V24 WeakPolarHBondContact O-CB 3.41Å; P18-V24 WeakPolarHBondContact O-CG2 3.47Å |
| 19 | F | 85.3 | Confident | 70.6 | Confident | 52 Ų | 52 | 89.8 Ų | 89.8 | 23% | 0.228 | 49% | 0.493 | C | S | . | . | G | 310 helix | trans | -74.3 | 0.1 | 177.2 | -55.9 | -77.1 | 0 | 0 | 0 | 114.7 | S17 P259 F262 F263 P264 M267 | S17-F19 PolarHBondContact O-N 2.75Å; S17-F19 PolarHBondContact OG-N 2.68Å; F19-P259 HydrophobicContact CE1-CB 4.11Å; F19-F262 HydrophobicContact CB-CB 4.35Å; F19-F262 HydrophobicContact CD1-CB 3.84Å; F19-F262 HydrophobicContact CD2-CB 3.74Å; F19-F262 HydrophobicContact CD2-CG 4.44Å; F19-F262 HydrophobicContact CE1-CB 4.02Å; F19-F262 HydrophobicContact CE1-CD2 4.35Å; F19-F262 HydrophobicContact CE2-CB 3.92Å; F19-F262 HydrophobicContact CE2-CD2 4.46Å; F19-F262 HydrophobicContact CE2-CG 4.16Å; F19-F262 HydrophobicContact CG-CB 3.69Å; F19-F262 HydrophobicContact CZ-CB 4.05Å; F19-F262 HydrophobicContact CZ-CD2 4.08Å; F19-F262 HydrophobicContact CZ-CG 4.2Å; F19-F263 HydrophobicContact CB-CD1 4.03Å; F19-F263 HydrophobicContact CB-CE1 4.16Å; F19-F263 HydrophobicContact CD1-CD1 4.3Å; F19-F263 AromaticContact CD1-CE1 3.99Å; F19-F263 HydrophobicContact CD1-CE1 3.99Å; F19-F263 HydrophobicContact CD1-CE2 4.28Å; F19-F263 AromaticContact CD1-CZ 3.96Å; F19-F263 HydrophobicContact CD1-CZ 3.96Å; F19-F263 VanDerWaalsContact O-CD1 3.25Å; F19-F263 WeakPolarHBondContact O-CD1 3.23Å; F19-P264 WeakPolarHBondContact O-CD 3Å; F19-M267 WeakPolarHBondContact O-CE 3.06Å |
| 20 | R | 85.4 | Confident | 73.7 | Confident | 167 Ų | 167 | 85.2 Ų | 85.2 | 63% | 0.63 | 46% | 0.455 | S | S | * | . | G | 310 helix | trans | -95.9 | 7.1 | 169.1 | -68.9 | -173.6 | 178.3 | -162.2 | 0.2 | 113.4 | S17 P18 | S17-R20 PolarHBondContact O-N 3.32Å; P18-R20 PolarHBondContact O-N 2.89Å |
| 21 | S | 90.3 | Very high | 76.8 | Confident | 44 Ų | 44 | 85 Ų | 85 | 31% | 0.308 | 44% | 0.436 | S | S | . | . | trans | -101.8 | 129.3 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 111.9 | P18 K23 V24 F25 M267 | P18-S21 WeakPolarHBondContact O-CB 3.5Å; P18-S21 PolarHBondContact O-N 3.41Å; S21-K23 PolarHBondContact O-N 3.08Å; S21-K23 PolarHBondContact OG-N 3.35Å; S21-V24 PolarHBondContact O-N 2.85Å; S21-F25 PolarHBondContact O-N 2.97Å; S21-M267 VanDerWaalsContact C-SD 3.55Å | ||
| 22 | I | 90.3 | Very high | 79.5 | Confident | 7 Ų | 7 | 79 Ų | 79 | 4% | 0.036 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.5 | -33.3 | 176.3 | -167.5 | 58.1 | 0 | 0 | 0 | 111.7 | V24 F25 V26 I180 A184 Y192 M267 E270 | I22-V24 VanDerWaalsContact C-N 3.31Å; I22-V24 PolarHBondContact O-N 2.83Å; I22-F25 HydrophobicContact CD1-CB 4.34Å; I22-F25 HydrophobicContact CD1-CD1 4.42Å; I22-F25 WeakPolarHBondContact O-CB 3.29Å; I22-F25 PolarHBondContact O-N 3.06Å; I22-F25 VanDerWaalsContact O-N 3.16Å; I22-V26 HydrophobicContact CG1-CG2 4.49Å; I22-V26 VanDerWaalsContact O-CG2 3.28Å; I22-V26 WeakPolarHBondContact O-CG2 3.49Å; I22-V26 PolarHBondContact O-N 3.48Å; I22-I180 HydrophobicContact CD1-CG1 4.41Å; I22-A184 HydrophobicContact CG1-CB 4.22Å; I22-Y192 HydrophobicContact CG1-CE2 4.35Å; I22-Y192 HydrophobicContact CG2-CE2 4.02Å; I22-M267 WeakPolarHBondContact CA-SD 3.44Å; I22-M267 HydrophobicContact CB-SD 3.82Å; I22-M267 HydrophobicContact CD1-SD 3.91Å; I22-M267 HydrophobicContact CG1-SD 4.48Å; I22-M267 PolarHBondContact N-SD 3.08Å; I22-E270 HydrophobicContact CG2-CB 4.17Å; I22-E270 HydrophobicContact CG2-CG 4.37Å |
| 23 | K | 92.3 | Very high | 82.2 | Confident | 127 Ų | 127 | 74 Ų | 74 | 55% | 0.552 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.5 | -40.3 | 177.7 | -62 | 176.2 | -175.3 | 175.3 | 0 | 111.4 | S21 V26 L27 Y192 E270 | S21-K23 PolarHBondContact O-N 3.08Å; S21-K23 PolarHBondContact OG-N 3.35Å; K23-V26 PolarHBondContact O-N 3.35Å; K23-L27 PolarHBondContact O-N 3.26Å; K23-Y192 WeakPolarHBondContact CG-OH 3.49Å; K23-E270 WeakPolarHBondContact CE-OE1 3.14Å |
| 24 | V | 94.1 | Very high | 85.1 | Confident | 42 Ų | 42 | 71.3 Ų | 71.3 | 26% | 0.255 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.1 | -40.8 | 176.1 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | P18 S21 I22 V26 L27 C28 F263 | P18-V24 WeakPolarHBondContact O-CB 3.41Å; P18-V24 WeakPolarHBondContact O-CG2 3.47Å; S21-V24 PolarHBondContact O-N 2.85Å; I22-V24 VanDerWaalsContact C-N 3.31Å; I22-V24 PolarHBondContact O-N 2.83Å; V24-V26 PolarHBondContact O-N 3.01Å; V24-L27 PolarHBondContact O-N 3.39Å; V24-C28 WeakPolarHBondContact O-CB 3.41Å; V24-C28 PolarHBondContact O-N 3.45Å; V24-C28 PolarHBondContact O-SG 3.25Å; V24-C28 VanDerWaalsContact O-SG 3.35Å; V24-F263 HydrophobicContact CG1-CE1 4.46Å; V24-F263 HydrophobicContact CG1-CZ 4.16Å |
| 25 | F | 94.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 173.6 | -176.6 | -88.5 | 0 | 0 | 0 | 111.9 | S21 I22 L27 C28 H29 P89 I92 Y179 I180 Y260 F263 M267 | S21-F25 PolarHBondContact O-N 2.97Å; I22-F25 HydrophobicContact CD1-CB 4.34Å; I22-F25 HydrophobicContact CD1-CD1 4.42Å; I22-F25 WeakPolarHBondContact O-CB 3.29Å; I22-F25 PolarHBondContact O-N 3.06Å; I22-F25 VanDerWaalsContact O-N 3.16Å; F25-L27 VanDerWaalsContact C-N 3.34Å; F25-L27 PolarHBondContact O-N 3.03Å; F25-C28 PolarHBondContact O-N 3.22Å; F25-H29 HydrophobicContact CD1-CB 4.41Å; F25-H29 HydrophobicContact CE1-CB 4.17Å; F25-H29 WeakPolarHBondContact O-CB 3.44Å; F25-H29 PolarHBondContact O-N 3.5Å; F25-P89 HydrophobicContact CE2-CG 4.33Å; F25-I92 HydrophobicContact CZ-CD1 4.11Å; F25-Y179 AromaticContact CD1-CD1 3.79Å; F25-Y179 HydrophobicContact CD1-CD1 3.79Å; F25-Y179 HydrophobicContact CD1-CE1 4.31Å; F25-Y179 AromaticContact CD2-CD1 3.87Å; F25-Y179 HydrophobicContact CD2-CD1 3.87Å; F25-Y179 AromaticContact CD2-CE1 3.76Å; F25-Y179 HydrophobicContact CD2-CE1 3.76Å; F25-Y179 AromaticContact CE1-CD1 3.56Å; F25-Y179 HydrophobicContact CE1-CD1 3.56Å; F25-Y179 HydrophobicContact CE1-CE1 4.4Å; F25-Y179 HydrophobicContact CE1-CG 4.17Å; F25-Y179 AromaticContact CE2-CD1 3.62Å; F25-Y179 HydrophobicContact CE2-CD1 3.62Å; F25-Y179 AromaticContact CE2-CE1 3.83Å; F25-Y179 HydrophobicContact CE2-CE1 3.83Å; F25-Y179 HydrophobicContact CE2-CG 4.19Å; F25-Y179 AromaticContact CG-CD1 3.95Å; F25-Y179 HydrophobicContact CG-CD1 3.95Å; F25-Y179 HydrophobicContact CG-CE1 4Å; F25-Y179 AromaticContact CZ-CD1 3.45Å; F25-Y179 HydrophobicContact CZ-CD1 3.45Å; F25-Y179 VanDerWaalsContact CZ-CD1 3.45Å; F25-Y179 HydrophobicContact CZ-CE1 4.16Å; F25-Y179 AromaticContact CZ-CG 3.82Å; F25-Y179 HydrophobicContact CZ-CG 3.82Å; F25-I180 HydrophobicContact CD1-CD1 4.18Å; F25-I180 HydrophobicContact CD1-CG1 3.73Å; F25-I180 HydrophobicContact CE1-CD1 4.11Å; F25-I180 HydrophobicContact CE1-CG1 3.78Å; F25-Y260 HydrophobicContact CE2-CD1 4.44Å; F25-Y260 AromaticContact CE2-CE1 3.71Å; F25-Y260 HydrophobicContact CE2-CE1 3.71Å; F25-Y260 HydrophobicContact CZ-CE1 4.12Å; F25-F263 HydrophobicContact CB-CD1 4.4Å; F25-F263 HydrophobicContact CB-CE1 3.8Å; F25-F263 HydrophobicContact CB-CZ 3.99Å; F25-F263 AromaticContact CD2-CD1 3.94Å; F25-F263 HydrophobicContact CD2-CD1 3.94Å; F25-F263 AromaticContact CD2-CD2 3.92Å; F25-F263 HydrophobicContact CD2-CD2 3.92Å; F25-F263 HydrophobicContact CD2-CE1 4.02Å; F25-F263 HydrophobicContact CD2-CE2 4Å; F25-F263 AromaticContact CD2-CG 3.92Å; F25-F263 HydrophobicContact CD2-CG 3.92Å; F25-F263 HydrophobicContact CD2-CZ 4.06Å; F25-F263 HydrophobicContact CE2-CD2 4.4Å; F25-F263 HydrophobicContact CG-CE1 4.43Å; F25-F263 HydrophobicContact CG-CZ 4.49Å; F25-M267 HydrophobicContact CB-CE 4.2Å |
| 26 | V | 94.1 | Very high | 89.8 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 177.7 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | I22 K23 V24 S30 I180 Y192 | I22-V26 HydrophobicContact CG1-CG2 4.49Å; I22-V26 VanDerWaalsContact O-CG2 3.28Å; I22-V26 WeakPolarHBondContact O-CG2 3.49Å; I22-V26 PolarHBondContact O-N 3.48Å; K23-V26 PolarHBondContact O-N 3.35Å; V24-V26 PolarHBondContact O-N 3.01Å; V26-S30 WeakPolarHBondContact O-CB 3.44Å; V26-S30 PolarHBondContact O-N 2.79Å; V26-S30 PolarHBondContact O-OG 2.95Å; V26-I180 HydrophobicContact CG2-CD1 3.85Å; V26-I180 HydrophobicContact CG2-CG1 3.92Å; V26-I180 HydrophobicContact CG2-CG2 4.4Å; V26-Y192 HydrophobicContact CG1-CD1 4.22Å; V26-Y192 HydrophobicContact CG1-CG 4.27Å; V26-Y192 HydrophobicContact CG2-CD1 4.24Å; V26-Y192 HydrophobicContact CG2-CD2 3.78Å; V26-Y192 HydrophobicContact CG2-CE2 4.39Å; V26-Y192 HydrophobicContact CG2-CG 3.69Å |
| 27 | L | 95.1 | Very high | 91.7 | Very high | 108 Ų | 108 | 39.8 Ų | 39.8 | 57% | 0.565 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -62.3 | -52.8 | 176.1 | 178.3 | 64.9 | 0 | 0 | 0 | 111.7 | K23 V24 F25 H29 S30 L31 | K23-L27 PolarHBondContact O-N 3.26Å; V24-L27 PolarHBondContact O-N 3.39Å; F25-L27 VanDerWaalsContact C-N 3.34Å; F25-L27 PolarHBondContact O-N 3.03Å; L27-H29 VanDerWaalsContact C-N 3.29Å; L27-H29 PolarHBondContact O-N 2.95Å; L27-S30 WeakPolarHBondContact O-CB 3.3Å; L27-S30 PolarHBondContact O-N 3.15Å; L27-L31 HydrophobicContact CD1-CD1 4.41Å; L27-L31 HydrophobicContact CG-CD1 4.4Å; L27-L31 WeakPolarHBondContact O-CG 3.29Å; L27-L31 PolarHBondContact O-N 3.44Å |
| 28 | C | 95.9 | Very high | 92.9 | Very high | 19 Ų | 19 | 38.2 Ų | 38.2 | 13% | 0.128 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.7 | -41.9 | 178.8 | -69 | 0 | 0 | 0 | 0 | 111.6 | V24 F25 L31 L32 P259 F263 | V24-C28 WeakPolarHBondContact O-CB 3.41Å; V24-C28 PolarHBondContact O-N 3.45Å; V24-C28 PolarHBondContact O-SG 3.25Å; V24-C28 VanDerWaalsContact O-SG 3.35Å; F25-C28 PolarHBondContact O-N 3.22Å; C28-L31 PolarHBondContact O-N 3.24Å; C28-L32 WeakPolarHBondContact O-CB 3.4Å; C28-L32 PolarHBondContact O-N 3.33Å; C28-P259 HydrophobicContact CB-CB 4.28Å; C28-F263 HydrophobicContact CB-CE2 4.04Å; C28-F263 HydrophobicContact CB-CZ 4.22Å |
| 29 | H | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -69.3 | -38.8 | -179.8 | -165.5 | 46.5 | 0 | 0 | 0 | 112.5 | F25 L27 L31 L32 Q33 I172 G176 L196 Y260 | F25-H29 HydrophobicContact CD1-CB 4.41Å; F25-H29 HydrophobicContact CE1-CB 4.17Å; F25-H29 WeakPolarHBondContact O-CB 3.44Å; F25-H29 PolarHBondContact O-N 3.5Å; L27-H29 VanDerWaalsContact C-N 3.29Å; L27-H29 PolarHBondContact O-N 2.95Å; H29-L31 VanDerWaalsContact C-N 3.35Å; H29-L31 PolarHBondContact O-N 3.28Å; H29-L32 PolarHBondContact O-N 3.39Å; H29-Q33 VanDerWaalsContact O-CB 3.3Å; H29-Q33 WeakPolarHBondContact O-CB 3.19Å; H29-Q33 PolarHBondContact O-N 3.43Å; H29-I172 PolarHBondContact CE1-O 3.13Å; H29-G176 WeakPolarHBondContact NE2-CA 3.24Å; H29-L196 WeakPolarHBondContact CD2-CD2 3.07Å; H29-Y260 WeakPolarHBondContact CA-OH 3.35Å; H29-Y260 WeakPolarHBondContact CB-OH 3.31Å; H29-Y260 VanDerWaalsContact CG-OH 3.3Å; H29-Y260 PolarHBondContact ND1-OH 2.6Å |
| 30 | S | 94.7 | Very high | 93.9 | Very high | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.8 | -44 | 172.9 | -66.2 | 0 | 0 | 0 | 0 | 112 | V26 L27 L34 | V26-S30 WeakPolarHBondContact O-CB 3.44Å; V26-S30 PolarHBondContact O-N 2.79Å; V26-S30 PolarHBondContact O-OG 2.95Å; L27-S30 WeakPolarHBondContact O-CB 3.3Å; L27-S30 PolarHBondContact O-N 3.15Å; S30-L34 WeakPolarHBondContact O-CB 3.12Å; S30-L34 PolarHBondContact O-N 2.8Å |
| 31 | L | 95.8 | Very high | 94.4 | Very high | 66 Ų | 66 | 25.1 Ų | 25.1 | 35% | 0.346 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -67.2 | -42.7 | 176.7 | -68.6 | 173.3 | 0 | 0 | 0 | 112.1 | L27 C28 H29 L34 A35 T256 | L27-L31 HydrophobicContact CD1-CD1 4.41Å; L27-L31 HydrophobicContact CG-CD1 4.4Å; L27-L31 WeakPolarHBondContact O-CG 3.29Å; L27-L31 PolarHBondContact O-N 3.44Å; C28-L31 PolarHBondContact O-N 3.24Å; H29-L31 VanDerWaalsContact C-N 3.35Å; H29-L31 PolarHBondContact O-N 3.28Å; L31-L34 PolarHBondContact O-N 3.04Å; L31-A35 WeakPolarHBondContact O-CB 3.35Å; L31-A35 PolarHBondContact O-N 3.06Å; L31-T256 HydrophobicContact CB-CG2 3.84Å |
| 32 | L | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62 | -44.2 | 176.3 | 175.4 | 62.1 | 0 | 0 | 0 | 111.7 | C28 H29 L34 A35 Q36 I92 A96 I172 L253 Y260 | C28-L32 WeakPolarHBondContact O-CB 3.4Å; C28-L32 PolarHBondContact O-N 3.33Å; H29-L32 PolarHBondContact O-N 3.39Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 3Å; L32-A35 PolarHBondContact O-N 3.09Å; L32-Q36 WeakPolarHBondContact O-CB 3.17Å; L32-Q36 PolarHBondContact O-N 3.32Å; L32-I92 HydrophobicContact CD2-CG2 3.45Å; L32-I92 VanDerWaalsContact CD2-CG2 3.45Å; L32-A96 HydrophobicContact CD1-CB 3.56Å; L32-A96 HydrophobicContact CD2-CB 4.05Å; L32-A96 HydrophobicContact CG-CB 4.43Å; L32-I172 HydrophobicContact CD2-CG2 4Å; L32-I172 HydrophobicContact CG-CG2 4.18Å; L32-L253 HydrophobicContact CD1-CD2 3.97Å; L32-Y260 HydrophobicContact CB-CE2 4.27Å; L32-Y260 HydrophobicContact CD2-CD2 4.14Å; L32-Y260 HydrophobicContact CD2-CE2 3.44Å; L32-Y260 VanDerWaalsContact CD2-CE2 3.44Å; L32-Y260 HydrophobicContact CG-CE2 4.44Å |
| 33 | Q | 94.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.7 | -41 | 178.3 | -169.5 | 68.3 | 55.5 | 0 | 0 | 111.3 | H29 L37 L196 T200 | H29-Q33 VanDerWaalsContact O-CB 3.3Å; H29-Q33 WeakPolarHBondContact O-CB 3.19Å; H29-Q33 PolarHBondContact O-N 3.43Å; Q33-L37 HydrophobicContact CG-CD1 4.07Å; Q33-L37 WeakPolarHBondContact O-CB 3.39Å; Q33-L37 WeakPolarHBondContact O-CG 3.33Å; Q33-L37 PolarHBondContact O-N 2.76Å; Q33-L37 VanDerWaalsContact O-N 3.09Å; Q33-L196 HydrophobicContact CB-CD2 4.3Å; Q33-L196 HydrophobicContact CG-CD2 4.33Å; Q33-T200 HydrophobicContact CG-CG2 3.62Å |
| 34 | L | 94.7 | Very high | 95.1 | Very high | 16 Ų | 16 | 18.9 Ų | 18.9 | 8% | 0.084 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.5 | -47.4 | 173.2 | -177.4 | 154.8 | 0 | 0 | 0 | 111.1 | S30 L31 L32 Q36 L37 L38 M199 I202 L206 F252 | S30-L34 WeakPolarHBondContact O-CB 3.12Å; S30-L34 PolarHBondContact O-N 2.8Å; L31-L34 PolarHBondContact O-N 3.04Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 3Å; L34-Q36 PolarHBondContact O-N 3.2Å; L34-L37 PolarHBondContact O-N 2.78Å; L34-L38 HydrophobicContact CD2-CD1 4.47Å; L34-L38 VanDerWaalsContact O-CB 3.23Å; L34-L38 WeakPolarHBondContact O-CB 3.38Å; L34-L38 PolarHBondContact O-N 2.86Å; L34-M199 HydrophobicContact CB-CE 3.98Å; L34-M199 HydrophobicContact CD1-CE 3.26Å; L34-M199 HydrophobicContact CD1-SD 4.25Å; L34-M199 HydrophobicContact CG-CE 4.26Å; L34-I202 HydrophobicContact CD1-CG2 3.98Å; L34-L206 HydrophobicContact CD1-CD1 3.81Å; L34-L206 HydrophobicContact CD2-CD1 3.89Å; L34-L206 HydrophobicContact CG-CD1 4.12Å; L34-F252 HydrophobicContact CD2-CE1 3.55Å; L34-F252 HydrophobicContact CD2-CZ 4.14Å |
| 35 | A | 95.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.4 | -44.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L31 L32 L38 V39 F252 L253 T256 | L31-A35 WeakPolarHBondContact O-CB 3.35Å; L31-A35 PolarHBondContact O-N 3.06Å; L32-A35 PolarHBondContact O-N 3.09Å; A35-L38 WeakPolarHBondContact O-CB 3.41Å; A35-L38 PolarHBondContact O-N 3.35Å; A35-V39 PolarHBondContact O-N 3.15Å; A35-F252 HydrophobicContact CB-CD1 3.35Å; A35-F252 HydrophobicContact CB-CE1 3.43Å; A35-F252 VanDerWaalsContact CB-CE1 3.43Å; A35-F252 HydrophobicContact CB-CG 4.2Å; A35-F252 HydrophobicContact CB-CZ 4.34Å; A35-L253 HydrophobicContact CB-CD2 3.69Å; A35-L253 HydrophobicContact CB-CG 3.9Å; A35-T256 HydrophobicContact CB-CG2 4.49Å |
| 36 | Q | 95.2 | Very high | 95.2 | Very high | 16 Ų | 16 | 17 Ų | 17 | 8% | 0.075 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.9 | -44.5 | 179.4 | 178.7 | -87 | -42.9 | 0 | 0 | 112.2 | L32 L34 L38 V39 A169 I172 L253 | L32-Q36 WeakPolarHBondContact O-CB 3.17Å; L32-Q36 PolarHBondContact O-N 3.32Å; L34-Q36 PolarHBondContact O-N 3.2Å; Q36-L38 VanDerWaalsContact C-N 3.34Å; Q36-V39 PolarHBondContact O-N 3.32Å; Q36-A169 HydrophobicContact CG-CB 4.18Å; Q36-I172 HydrophobicContact CB-CD1 4.39Å; Q36-I172 HydrophobicContact CG-CD1 4.13Å; Q36-L253 HydrophobicContact CB-CD2 4.09Å |
| 37 | L | 93.9 | Very high | 95.3 | Very high | 31 Ų | 31 | 16.9 Ų | 16.9 | 16% | 0.162 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -76.4 | -24.5 | -179.2 | -66.6 | 169 | 0 | 0 | 0 | 112.8 | Q33 L34 V39 S40 G41 T200 P204 | Q33-L37 HydrophobicContact CG-CD1 4.07Å; Q33-L37 WeakPolarHBondContact O-CB 3.39Å; Q33-L37 WeakPolarHBondContact O-CG 3.33Å; Q33-L37 PolarHBondContact O-N 2.76Å; Q33-L37 VanDerWaalsContact O-N 3.09Å; L34-L37 PolarHBondContact O-N 2.78Å; L37-V39 VanDerWaalsContact C-N 3.34Å; L37-S40 PolarHBondContact O-N 3.28Å; L37-G41 PolarHBondContact O-N 3.32Å; L37-T200 HydrophobicContact CD1-CG2 3.85Å; L37-T200 WeakPolarHBondContact CD1-O 3Å; L37-P204 HydrophobicContact CB-CG 4.21Å |
| 38 | L | 95.8 | Very high | 95.2 | Very high | 16 Ų | 16 | 12 Ų | 12 | 8% | 0.084 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.2 | -43.9 | 169.7 | -177.5 | 156.1 | 0 | 0 | 0 | 111 | L34 A35 Q36 S40 G41 Y42 G203 L206 A249 | L34-L38 HydrophobicContact CD2-CD1 4.47Å; L34-L38 VanDerWaalsContact O-CB 3.23Å; L34-L38 WeakPolarHBondContact O-CB 3.38Å; L34-L38 PolarHBondContact O-N 2.86Å; A35-L38 WeakPolarHBondContact O-CB 3.41Å; A35-L38 PolarHBondContact O-N 3.35Å; Q36-L38 VanDerWaalsContact C-N 3.34Å; L38-S40 VanDerWaalsContact C-N 3.3Å; L38-S40 PolarHBondContact O-N 3.39Å; L38-G41 PolarHBondContact O-N 3.42Å; L38-Y42 WeakPolarHBondContact O-CB 3.11Å; L38-Y42 PolarHBondContact O-N 2.84Å; L38-G203 WeakPolarHBondContact CA-O 3.28Å; L38-L206 HydrophobicContact CD1-CB 4.05Å; L38-A249 HydrophobicContact CD2-CB 3.56Å |
| 39 | V | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.9 | -43.4 | 175.4 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | A35 Q36 L37 Y42 M43 L165 F246 A249 L253 | A35-V39 PolarHBondContact O-N 3.15Å; Q36-V39 PolarHBondContact O-N 3.32Å; L37-V39 VanDerWaalsContact C-N 3.34Å; V39-Y42 PolarHBondContact O-N 2.97Å; V39-M43 PolarHBondContact O-N 3.08Å; V39-L165 HydrophobicContact CG1-CD1 4.15Å; V39-L165 HydrophobicContact CG1-CD2 3.7Å; V39-F246 HydrophobicContact CG1-CD1 4.41Å; V39-F246 HydrophobicContact CG1-CE1 4.36Å; V39-A249 HydrophobicContact CG2-CB 3.62Å; V39-L253 HydrophobicContact CG2-CD1 3.51Å; V39-L253 HydrophobicContact CG2-CG 4.43Å |
| 40 | S | 92.4 | Very high | 95 | Very high | 19 Ų | 19 | 11.3 Ų | 11.3 | 13% | 0.133 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -65.3 | -42.8 | 178.5 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | L37 L38 M43 K44 | L37-S40 PolarHBondContact O-N 3.28Å; L38-S40 VanDerWaalsContact C-N 3.3Å; L38-S40 PolarHBondContact O-N 3.39Å; S40-M43 PolarHBondContact O-N 3.29Å; S40-K44 PolarHBondContact O-N 3.17Å |
| 41 | G | 94.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 11.2 Ų | 11.2 | 1% | 0.01 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.4 | -41.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L37 L38 K44 S45 | L37-G41 PolarHBondContact O-N 3.32Å; L38-G41 PolarHBondContact O-N 3.42Å; G41-K44 PolarHBondContact O-N 3Å; G41-S45 PolarHBondContact O-N 3.33Å |
| 42 | Y | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -65.8 | -38.6 | 177.6 | -176.7 | -101.3 | 0 | 0 | 0 | 112.5 | L38 V39 K44 S45 S46 T210 L214 M215 A241 W242 G245 F246 | L38-Y42 WeakPolarHBondContact O-CB 3.11Å; L38-Y42 PolarHBondContact O-N 2.84Å; V39-Y42 PolarHBondContact O-N 2.97Å; Y42-K44 VanDerWaalsContact C-N 3.33Å; Y42-K44 PolarHBondContact O-N 2.76Å; Y42-S45 WeakPolarHBondContact CA-OG 3.28Å; Y42-S45 PolarHBondContact O-N 3.05Å; Y42-S45 PolarHBondContact O-OG 3.44Å; Y42-S46 WeakPolarHBondContact O-CB 3.45Å; Y42-S46 PolarHBondContact O-N 3.48Å; Y42-S46 VanDerWaalsContact O-N 3.14Å; Y42-S46 PolarHBondContact O-OG 3.13Å; Y42-T210 HydrophobicContact CD2-CG2 4.32Å; Y42-L214 HydrophobicContact CE2-CD1 4.08Å; Y42-M215 HydrophobicContact CE2-CE 4.29Å; Y42-A241 PolarHBondContact OH-O 2.95Å; Y42-W242 WeakPolarHBondContact CE1-O 3.41Å; Y42-W242 VanDerWaalsContact OH-C 3.28Å; Y42-W242 WeakPolarHBondContact OH-CA 3.43Å; Y42-W242 PolarHBondContact OH-O 2.92Å; Y42-G245 VanDerWaalsContact CE1-CA 3.5Å; Y42-G245 WeakPolarHBondContact OH-CA 3.28Å; Y42-G245 PolarHBondContact OH-N 3.06Å; Y42-F246 AromaticContact CD1-CD1 3.94Å; Y42-F246 HydrophobicContact CD1-CD1 3.94Å; Y42-F246 HydrophobicContact CD1-CD2 4.35Å; Y42-F246 AromaticContact CD1-CE1 3.79Å; Y42-F246 HydrophobicContact CD1-CE1 3.79Å; Y42-F246 HydrophobicContact CD1-CE2 4.22Å; Y42-F246 HydrophobicContact CD1-CG 4.19Å; Y42-F246 AromaticContact CD1-CZ 3.92Å; Y42-F246 HydrophobicContact CD1-CZ 3.92Å; Y42-F246 HydrophobicContact CE1-CD1 4.26Å; Y42-F246 AromaticContact CE1-CD2 3.89Å; Y42-F246 HydrophobicContact CE1-CD2 3.89Å; Y42-F246 HydrophobicContact CE1-CE1 4.29Å; Y42-F246 AromaticContact CE1-CE2 3.92Å; Y42-F246 HydrophobicContact CE1-CE2 3.92Å; Y42-F246 HydrophobicContact CE1-CG 4.04Å; Y42-F246 HydrophobicContact CE1-CZ 4.11Å |
| 43 | M | 95.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 10 Ų | 10 | 2% | 0.015 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -56.8 | -49.2 | 173.5 | 178 | 59.6 | -176.9 | 0 | 0 | 111.1 | V39 S40 S45 S46 I47 I50 L64 M106 Q162 F246 | V39-M43 PolarHBondContact O-N 3.08Å; S40-M43 PolarHBondContact O-N 3.29Å; M43-S45 VanDerWaalsContact C-N 3.34Å; M43-S45 PolarHBondContact O-N 2.65Å; M43-S46 PolarHBondContact O-N 3.49Å; M43-S46 VanDerWaalsContact O-N 3.14Å; M43-I47 PolarHBondContact O-N 2.8Å; M43-I50 HydrophobicContact CE-CD1 4.22Å; M43-I50 HydrophobicContact SD-CD1 4.18Å; M43-L64 HydrophobicContact CE-CD1 4.12Å; M43-L64 HydrophobicContact CE-CD2 3.37Å; M43-L64 HydrophobicContact CE-CG 3.4Å; M43-M106 HydrophobicContact CE-CE 3.7Å; M43-M106 HydrophobicContact SD-CE 3.42Å; M43-M106 WeakPolarHBondContact SD-CE 3.43Å; M43-Q162 VanDerWaalsContact CG-NE2 3.31Å; M43-F246 HydrophobicContact CB-CE1 4.36Å; M43-F246 HydrophobicContact CB-CZ 4.29Å; M43-F246 HydrophobicContact SD-CE1 4.39Å; M43-F246 HydrophobicContact SD-CZ 3.63Å |
| 44 | K | 95.1 | Very high | 94 | Very high | 44 Ų | 44 | 10.6 Ų | 10.6 | 19% | 0.191 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -63.3 | -39.2 | -179.6 | -68.2 | 173.4 | -176.4 | 175.1 | 0 | 112.3 | S40 G41 Y42 S46 I47 F208 A334 | S40-K44 PolarHBondContact O-N 3.17Å; G41-K44 PolarHBondContact O-N 3Å; Y42-K44 VanDerWaalsContact C-N 3.33Å; Y42-K44 PolarHBondContact O-N 2.76Å; K44-S46 PolarHBondContact O-N 3.47Å; K44-I47 PolarHBondContact O-N 3.1Å; K44-F208 HydrophobicContact CB-CE1 4.41Å; K44-F208 HydrophobicContact CB-CZ 3.8Å; K44-A334 HydrophobicContact CD-CB 4.46Å |
| 45 | S | 95.9 | Very high | 93.7 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.014 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -68.9 | -17.4 | 177.3 | 75.3 | 0 | 0 | 0 | 0 | 113.9 | G41 Y42 M43 G211 N353 | G41-S45 PolarHBondContact O-N 3.33Å; Y42-S45 WeakPolarHBondContact CA-OG 3.28Å; Y42-S45 PolarHBondContact O-N 3.05Å; Y42-S45 PolarHBondContact O-OG 3.44Å; M43-S45 VanDerWaalsContact C-N 3.34Å; M43-S45 PolarHBondContact O-N 2.65Å; S45-G211 WeakPolarHBondContact OG-CA 3.41Å; S45-N353 WeakPolarHBondContact CA-OD1 3.45Å; S45-N353 WeakPolarHBondContact CB-OD1 3.41Å; S45-N353 PolarHBondContact O-ND2 3.04Å |
| 46 | S | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -7.2 | -177.2 | -56.4 | 0 | 0 | 0 | 0 | 114.3 | Y42 M43 K44 S48 T49 I50 M215 | Y42-S46 WeakPolarHBondContact O-CB 3.45Å; Y42-S46 PolarHBondContact O-N 3.48Å; Y42-S46 VanDerWaalsContact O-N 3.14Å; Y42-S46 PolarHBondContact O-OG 3.13Å; M43-S46 PolarHBondContact O-N 3.49Å; M43-S46 VanDerWaalsContact O-N 3.14Å; K44-S46 PolarHBondContact O-N 3.47Å; S46-S48 PolarHBondContact O-N 3.07Å; S46-T49 WeakPolarHBondContact O-CB 3.26Å; S46-T49 PolarHBondContact O-N 3.46Å; S46-T49 VanDerWaalsContact O-N 3.13Å; S46-I50 WeakPolarHBondContact O-CG1 3.24Å; S46-I50 PolarHBondContact O-N 2.84Å; S46-M215 WeakPolarHBondContact OG-CE 3.4Å |
| 47 | I | 94.9 | Very high | 93.4 | Very high | 6 Ų | 6 | 11.4 Ų | 11.4 | 3% | 0.031 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -56.6 | -50.8 | -170.4 | -76.1 | 171.7 | 0 | 0 | 0 | 112.9 | M43 K44 T49 I50 E51 A65 T335 F336 | M43-I47 PolarHBondContact O-N 2.8Å; K44-I47 PolarHBondContact O-N 3.1Å; I47-T49 PolarHBondContact O-N 2.99Å; I47-T49 VanDerWaalsContact O-N 3.16Å; I47-I50 PolarHBondContact O-N 3.22Å; I47-E51 HydrophobicContact CG2-CG 4.24Å; I47-E51 WeakPolarHBondContact CG2-OE1 3.36Å; I47-E51 WeakPolarHBondContact O-CB 3.46Å; I47-E51 VanDerWaalsContact O-CG 3.3Å; I47-E51 WeakPolarHBondContact O-CG 3.27Å; I47-E51 PolarHBondContact O-N 3.41Å; I47-A65 HydrophobicContact CD1-CB 3.79Å; I47-T335 HydrophobicContact CD1-CG2 3.22Å; I47-F336 HydrophobicContact CG2-CE1 3.9Å |
| 48 | S | 92.8 | Very high | 93.5 | Very high | 7 Ų | 7 | 10 Ų | 10 | 5% | 0.049 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -63.1 | -27.6 | -176.5 | 64.3 | 0 | 0 | 0 | 0 | 112.5 | S46 R52 E342 | S46-S48 PolarHBondContact O-N 3.07Å; S48-R52 WeakPolarHBondContact O-CD 3.37Å; S48-R52 VanDerWaalsContact O-CG 3.22Å; S48-R52 WeakPolarHBondContact O-CG 3.49Å; S48-R52 PolarHBondContact O-N 2.94Å; S48-E342 WeakPolarHBondContact CB-OE2 3.34Å; S48-E342 PolarHBondContact OG-OE2 3.29Å |
| 49 | T | 94.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -76.4 | -44.7 | 177.1 | -60.6 | 0 | 0 | 0 | 0 | 111.8 | S46 I47 E51 R52 R53 M215 V239 G240 W242 | S46-T49 WeakPolarHBondContact O-CB 3.26Å; S46-T49 PolarHBondContact O-N 3.46Å; S46-T49 VanDerWaalsContact O-N 3.13Å; I47-T49 PolarHBondContact O-N 2.99Å; I47-T49 VanDerWaalsContact O-N 3.16Å; T49-E51 VanDerWaalsContact C-N 3.31Å; T49-E51 PolarHBondContact O-N 3.44Å; T49-R52 PolarHBondContact O-N 3.13Å; T49-R53 PolarHBondContact O-N 2.9Å; T49-M215 HydrophobicContact CG2-SD 4.13Å; T49-V239 HydrophobicContact CG2-CB 4.25Å; T49-V239 HydrophobicContact CG2-CG1 3.33Å; T49-G240 WeakPolarHBondContact CG2-O 3.33Å; T49-W242 HydrophobicContact CG2-CB 3.98Å; T49-W242 HydrophobicContact CG2-CG 4.15Å |
| 50 | I | 93.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 17.7 Ų | 17.7 | 2% | 0.015 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.5 | -40.9 | 176 | -65.3 | 171.2 | 0 | 0 | 0 | 110.2 | M43 S46 I47 R53 Y54 L56 L158 W242 | M43-I50 HydrophobicContact CE-CD1 4.22Å; M43-I50 HydrophobicContact SD-CD1 4.18Å; S46-I50 WeakPolarHBondContact O-CG1 3.24Å; S46-I50 PolarHBondContact O-N 2.84Å; I47-I50 PolarHBondContact O-N 3.22Å; I50-R53 PolarHBondContact O-N 2.88Å; I50-Y54 HydrophobicContact CG2-CD2 4.05Å; I50-Y54 PolarHBondContact O-N 3.01Å; I50-L56 HydrophobicContact CG2-CD1 3.93Å; I50-L158 HydrophobicContact CG2-CD1 3.96Å; I50-W242 HydrophobicContact CD1-CD2 4.45Å; I50-W242 HydrophobicContact CD1-CE3 4.04Å; I50-W242 HydrophobicContact CG1-CB 4.39Å; I50-W242 HydrophobicContact CG1-CD2 3.87Å; I50-W242 HydrophobicContact CG1-CE3 3.96Å; I50-W242 HydrophobicContact CG1-CG 4.04Å |
| 51 | E | 92.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 16.9 Ų | 16.9 | 2% | 0.023 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -56.8 | -50.1 | 174.5 | -77 | 173.7 | 171.4 | 0 | 0 | 112.5 | I47 T49 G55 L56 S58 S61 K339 S573 | I47-E51 HydrophobicContact CG2-CG 4.24Å; I47-E51 WeakPolarHBondContact CG2-OE1 3.36Å; I47-E51 WeakPolarHBondContact O-CB 3.46Å; I47-E51 VanDerWaalsContact O-CG 3.3Å; I47-E51 WeakPolarHBondContact O-CG 3.27Å; I47-E51 PolarHBondContact O-N 3.41Å; T49-E51 VanDerWaalsContact C-N 3.31Å; T49-E51 PolarHBondContact O-N 3.44Å; E51-G55 CarbonylContact O-C 3.41Å; E51-G55 WeakPolarHBondContact O-CA 3.46Å; E51-G55 PolarHBondContact O-N 2.93Å; E51-L56 HydrophobicContact CG-CB 4.21Å; E51-L56 PolarHBondContact O-N 2.71Å; E51-L56 VanDerWaalsContact O-N 3.09Å; E51-S58 WeakPolarHBondContact OE1-CA 3.25Å; E51-S61 VanDerWaalsContact CD-OG 3.29Å; E51-S61 WeakPolarHBondContact CG-OG 3.45Å; E51-S61 WeakPolarHBondContact OE1-CB 3.3Å; E51-S61 PolarHBondContact OE1-OG 3.4Å; E51-K339 IonicContact OE1-NZ 2.82Å; E51-K339 WeakPolarHBondContact OE2-CE 3.43Å; E51-K339 IonicContact OE2-NZ 3.79Å; E51-K339 PolarHBondContact OE2-NZ 3.07Å; E51-S573 WeakPolarHBondContact O-CB 3.49Å |
| 52 | R | 90.1 | Very high | 93.6 | Very high | 34 Ų | 34 | 16.9 Ų | 16.9 | 13% | 0.128 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -63.7 | -43.1 | 179.4 | -72 | 170 | -176.1 | -151.9 | -5.9 | 111.7 | S48 T49 L236 W238 V239 E342 | S48-R52 WeakPolarHBondContact O-CD 3.37Å; S48-R52 VanDerWaalsContact O-CG 3.22Å; S48-R52 WeakPolarHBondContact O-CG 3.49Å; S48-R52 PolarHBondContact O-N 2.94Å; T49-R52 PolarHBondContact O-N 3.13Å; R52-L236 PolarHBondContact NH1-O 3.41Å; R52-L236 VanDerWaalsContact NH1-O 3.17Å; R52-W238 PolarHBondContact NH1-O 3.29Å; R52-V239 HydrophobicContact CB-CG2 4.02Å; R52-E342 IonicContact CZ-OE1 3.45Å; R52-E342 IonicContact NE-OE1 3.01Å; R52-E342 IonicContact NH2-OE1 2.78Å; R52-E342 PolarHBondContact NH2-OE1 3.16Å |
| 53 | R | 89.3 | Confident | 93.6 | Very high | 6 Ų | 6 | 19.8 Ų | 19.8 | 2% | 0.023 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66 | -44.2 | -178 | -174.5 | 171.6 | 178.6 | 119.1 | 3 | 112.6 | T49 I50 H110 G114 Y116 V219 D220 V239 W242 | T49-R53 PolarHBondContact O-N 2.9Å; I50-R53 PolarHBondContact O-N 2.88Å; R53-H110 PolarHBondContact NH1-ND1 3.14Å; R53-H110 PolarHBondContact NH2-ND1 3.11Å; R53-G114 PolarHBondContact NH2-O 3.32Å; R53-Y116 HydrophobicContact CG-CD2 4.4Å; R53-V219 VanDerWaalsContact NH1-CG1 3.28Å; R53-D220 IonicContact CZ-OD1 3.46Å; R53-D220 IonicContact NH1-OD1 3.76Å; R53-D220 PolarHBondContact NH1-OD1 3.18Å; R53-D220 IonicContact NH1-OD2 2.64Å; R53-D220 IonicContact NH2-OD1 2.61Å; R53-D220 PolarHBondContact NH2-OD1 3.34Å; R53-D220 VanDerWaalsContact NH2-OD1 3.13Å; R53-V239 HydrophobicContact CB-CG1 3.95Å; R53-W242 VanDerWaalsContact CD-NE1 3.33Å |
| 54 | Y | 88.8 | Confident | 93.6 | Very high | 14 Ų | 14 | 19.7 Ų | 19.7 | 6% | 0.055 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -109.5 | 7 | -170.8 | -63.5 | -65.4 | 0 | 0 | 0 | 114.1 | I50 L56 P109 S113 V154 W242 | I50-Y54 HydrophobicContact CG2-CD2 4.05Å; I50-Y54 PolarHBondContact O-N 3.01Å; Y54-L56 VanDerWaalsContact C-N 3.32Å; Y54-L56 PolarHBondContact O-N 3.06Å; Y54-P109 VanDerWaalsContact OH-C 3.29Å; Y54-P109 WeakPolarHBondContact OH-CB 3.15Å; Y54-P109 PolarHBondContact OH-O 2.79Å; Y54-S113 WeakPolarHBondContact CE1-OG 3.48Å; Y54-S113 PolarHBondContact OH-OG 3.09Å; Y54-S113 VanDerWaalsContact OH-OG 3.05Å; Y54-V154 HydrophobicContact CD1-CB 4.17Å; Y54-V154 HydrophobicContact CD1-CG1 3.85Å; Y54-V154 HydrophobicContact CD1-CG2 4.07Å; Y54-V154 HydrophobicContact CD2-CG1 3.88Å; Y54-V154 HydrophobicContact CE1-CB 4.18Å; Y54-V154 HydrophobicContact CE1-CG1 3.82Å; Y54-V154 HydrophobicContact CE1-CG2 3.68Å; Y54-V154 HydrophobicContact CE2-CG1 3.82Å; Y54-V154 HydrophobicContact CG-CG1 3.89Å; Y54-W242 HydrophobicContact CE2-CH2 4.28Å; Y54-W242 AromaticContact CE2-CZ2 3.61Å; Y54-W242 HydrophobicContact CE2-CZ2 3.61Å |
| 55 | G | 87.8 | Confident | 93.5 | Very high | 16 Ų | 16 | 17.9 Ų | 17.9 | 17% | 0.165 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 32.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E51 T572 S573 | E51-G55 CarbonylContact O-C 3.41Å; E51-G55 WeakPolarHBondContact O-CA 3.46Å; E51-G55 PolarHBondContact O-N 2.93Å; G55-T572 CarbonylContact O-C 3.57Å; G55-T572 VanDerWaalsContact O-C 3.27Å; G55-T572 WeakPolarHBondContact O-CA 3.4Å; G55-S573 VanDerWaalsContact C-N 3.34Å; G55-S573 PolarHBondContact O-N 3.39Å |
| 56 | L | 91.2 | Very high | 93.5 | Very high | 11 Ų | 11 | 18.1 Ų | 18.1 | 6% | 0.058 | 9% | 0.093 | C | C | . | . | trans | -77.6 | 143 | -179.8 | -53.3 | -179.7 | 0 | 0 | 0 | 111 | I50 E51 Y54 K60 Y155 S573 | I50-L56 HydrophobicContact CG2-CD1 3.93Å; E51-L56 HydrophobicContact CG-CB 4.21Å; E51-L56 PolarHBondContact O-N 2.71Å; E51-L56 VanDerWaalsContact O-N 3.09Å; Y54-L56 VanDerWaalsContact C-N 3.32Å; Y54-L56 PolarHBondContact O-N 3.06Å; L56-K60 HydrophobicContact CB-CB 4.5Å; L56-Y155 HydrophobicContact CD1-CD2 3.9Å; L56-Y155 HydrophobicContact CD1-CE2 4.32Å; L56-Y155 HydrophobicContact CD2-CD2 3.84Å; L56-Y155 HydrophobicContact CD2-CG 4.34Å; L56-S573 WeakPolarHBondContact O-CB 3.28Å | ||
| 57 | S | 93.6 | Very high | 93.4 | Very high | 21 Ų | 21 | 20.8 Ų | 20.8 | 15% | 0.147 | 10% | 0.104 | C | C | . | . | trans | -75.3 | 157.5 | 167.4 | 93.7 | 0 | 0 | 0 | 0 | 110.1 | Q59 K60 S61 D558 | S57-Q59 PolarHBondContact O-N 3.45Å; S57-Q59 PolarHBondContact OG-N 3.06Å; S57-K60 PolarHBondContact O-N 3.29Å; S57-K60 VanDerWaalsContact O-N 3.11Å; S57-K60 PolarHBondContact OG-N 3.28Å; S57-S61 PolarHBondContact O-N 2.94Å; S57-S61 PolarHBondContact O-OG 3.49Å; S57-D558 WeakPolarHBondContact CB-OD2 3.29Å; S57-D558 PolarHBondContact OG-OD2 2.98Å | ||
| 58 | S | 95.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -66.1 | -31.4 | -178.8 | -30.4 | 0 | 0 | 0 | 0 | 111.5 | E51 S61 G62 F336 K339 G554 I557 D558 | E51-S58 WeakPolarHBondContact OE1-CA 3.25Å; S58-S61 PolarHBondContact O-N 3.29Å; S58-G62 PolarHBondContact O-N 3.5Å; S58-F336 WeakPolarHBondContact O-CZ 3.47Å; S58-K339 PolarHBondContact OG-NZ 3.07Å; S58-G554 WeakPolarHBondContact CB-O 3.38Å; S58-G554 WeakPolarHBondContact O-CA 3.49Å; S58-I557 WeakPolarHBondContact OG-CG2 3.49Å; S58-D558 WeakPolarHBondContact CA-OD1 3.47Å; S58-D558 WeakPolarHBondContact CB-OD1 3.35Å; S58-D558 PolarHBondContact N-OD1 3.12Å; S58-D558 PolarHBondContact N-OD2 3.24Å; S58-D558 VanDerWaalsContact N-OD2 3.09Å; S58-D558 PolarHBondContact OG-OD1 3.13Å |
| 59 | Q | 95.6 | Very high | 93.1 | Very high | 85 Ų | 85 | 22.2 Ų | 22.2 | 40% | 0.397 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -61.1 | -46.9 | 171 | -171.7 | -175.6 | 11.6 | 0 | 0 | 111.9 | S57 S61 G62 I63 V551 D558 | S57-Q59 PolarHBondContact O-N 3.45Å; S57-Q59 PolarHBondContact OG-N 3.06Å; Q59-S61 VanDerWaalsContact C-N 3.32Å; Q59-S61 PolarHBondContact O-N 2.9Å; Q59-G62 PolarHBondContact O-N 3.4Å; Q59-G62 VanDerWaalsContact O-N 3.16Å; Q59-I63 WeakPolarHBondContact O-CG1 3.44Å; Q59-I63 PolarHBondContact O-N 3.04Å; Q59-V551 HydrophobicContact CG-CG1 4.12Å; Q59-D558 WeakPolarHBondContact CB-OD2 3.49Å; Q59-D558 PolarHBondContact N-OD2 3.24Å |
| 60 | K | 94.9 | Very high | 93 | Very high | 94 Ų | 94 | 24.5 Ų | 24.5 | 41% | 0.409 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -61.4 | -40.4 | 177.3 | -73.9 | -175 | 180 | 177.5 | 0 | 111.8 | L56 S57 G62 I63 L64 Y155 | L56-K60 HydrophobicContact CB-CB 4.5Å; S57-K60 PolarHBondContact O-N 3.29Å; S57-K60 VanDerWaalsContact O-N 3.11Å; S57-K60 PolarHBondContact OG-N 3.28Å; K60-G62 VanDerWaalsContact C-N 3.34Å; K60-I63 PolarHBondContact O-N 2.99Å; K60-L64 WeakPolarHBondContact O-CB 3.44Å; K60-L64 PolarHBondContact O-N 2.92Å; K60-Y155 HydrophobicContact CB-CE2 3.97Å; K60-Y155 PolarHBondContact O-OH 3.3Å |
| 61 | S | 95.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.014 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.8 | -35.6 | 174.7 | -54 | 0 | 0 | 0 | 0 | 112.9 | E51 S57 S58 Q59 L64 A65 | E51-S61 VanDerWaalsContact CD-OG 3.29Å; E51-S61 WeakPolarHBondContact CG-OG 3.45Å; E51-S61 WeakPolarHBondContact OE1-CB 3.3Å; E51-S61 PolarHBondContact OE1-OG 3.4Å; S57-S61 PolarHBondContact O-N 2.94Å; S57-S61 PolarHBondContact O-OG 3.49Å; S58-S61 PolarHBondContact O-N 3.29Å; Q59-S61 VanDerWaalsContact C-N 3.32Å; Q59-S61 PolarHBondContact O-N 2.9Å; S61-L64 WeakPolarHBondContact O-CB 3.23Å; S61-L64 PolarHBondContact O-N 3.27Å; S61-A65 WeakPolarHBondContact O-CB 3.49Å; S61-A65 PolarHBondContact O-N 3.5Å |
| 62 | G | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S58 Q59 K60 L64 A65 A66 P550 | S58-G62 PolarHBondContact O-N 3.5Å; Q59-G62 PolarHBondContact O-N 3.4Å; Q59-G62 VanDerWaalsContact O-N 3.16Å; K60-G62 VanDerWaalsContact C-N 3.34Å; G62-L64 VanDerWaalsContact C-N 3.33Å; G62-L64 PolarHBondContact O-N 3.48Å; G62-A65 PolarHBondContact O-N 3Å; G62-A66 WeakPolarHBondContact O-CB 3.39Å; G62-A66 PolarHBondContact O-N 2.89Å; G62-P550 WeakPolarHBondContact O-CB 3.18Å |
| 63 | I | 96.2 | Very high | 92 | Very high | 61 Ų | 61 | 25.1 Ų | 25.1 | 31% | 0.313 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -59.7 | -47.7 | 173 | -65.6 | 168.9 | 0 | 0 | 0 | 109.8 | Q59 K60 A65 A66 F67 L159 V551 | Q59-I63 WeakPolarHBondContact O-CG1 3.44Å; Q59-I63 PolarHBondContact O-N 3.04Å; K60-I63 PolarHBondContact O-N 2.99Å; I63-A65 PolarHBondContact O-N 2.86Å; I63-A66 PolarHBondContact O-N 3.28Å; I63-A66 VanDerWaalsContact O-N 3.16Å; I63-F67 HydrophobicContact CG2-CD2 4.48Å; I63-F67 WeakPolarHBondContact O-CB 3.2Å; I63-F67 PolarHBondContact O-N 2.86Å; I63-L159 HydrophobicContact CG2-CD2 4.29Å; I63-V551 HydrophobicContact CB-CG2 4.4Å; I63-V551 HydrophobicContact CG1-CG1 4.07Å; I63-V551 HydrophobicContact CG1-CG2 3.69Å |
| 64 | L | 95.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.7 | -46 | -179.9 | 175.7 | 61.6 | 0 | 0 | 0 | 111.9 | M43 K60 S61 G62 A66 F67 Y155 L158 L159 Q162 | M43-L64 HydrophobicContact CE-CD1 4.12Å; M43-L64 HydrophobicContact CE-CD2 3.37Å; M43-L64 HydrophobicContact CE-CG 3.4Å; K60-L64 WeakPolarHBondContact O-CB 3.44Å; K60-L64 PolarHBondContact O-N 2.92Å; S61-L64 WeakPolarHBondContact O-CB 3.23Å; S61-L64 PolarHBondContact O-N 3.27Å; G62-L64 VanDerWaalsContact C-N 3.33Å; G62-L64 PolarHBondContact O-N 3.48Å; L64-A66 PolarHBondContact O-N 2.95Å; L64-F67 PolarHBondContact O-N 3.21Å; L64-Y155 HydrophobicContact CB-CE2 4.16Å; L64-L158 HydrophobicContact CD1-CB 3.63Å; L64-L158 HydrophobicContact CD2-CB 4.06Å; L64-L158 HydrophobicContact CD2-CD1 4.03Å; L64-L159 HydrophobicContact CB-CD2 4.34Å; L64-L159 HydrophobicContact CD1-CD2 3.91Å; L64-L159 HydrophobicContact CD1-CG 4.26Å; L64-Q162 HydrophobicContact CD1-CG 3.76Å; L64-Q162 WeakPolarHBondContact O-CG 3.44Å |
| 65 | A | 94.1 | Very high | 91.4 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 5% | 0.05 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.6 | -24.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I47 S61 G62 I63 N68 T335 | I47-A65 HydrophobicContact CD1-CB 3.79Å; S61-A65 WeakPolarHBondContact O-CB 3.49Å; S61-A65 PolarHBondContact O-N 3.5Å; G62-A65 PolarHBondContact O-N 3Å; I63-A65 PolarHBondContact O-N 2.86Å; A65-N68 PolarHBondContact O-OD1 3.4Å; A65-T335 HydrophobicContact CB-CG2 3.69Å |
| 66 | A | 94.4 | Very high | 91 | Very high | 6 Ų | 6 | 32.4 Ų | 32.4 | 5% | 0.05 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -97.2 | -10.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G62 I63 L64 N68 E69 P550 | G62-A66 WeakPolarHBondContact O-CB 3.39Å; G62-A66 PolarHBondContact O-N 2.89Å; I63-A66 PolarHBondContact O-N 3.28Å; I63-A66 VanDerWaalsContact O-N 3.16Å; L64-A66 PolarHBondContact O-N 2.95Å; A66-N68 VanDerWaalsContact C-N 3.26Å; A66-N68 PolarHBondContact O-N 2.91Å; A66-E69 WeakPolarHBondContact O-CB 3.48Å; A66-E69 PolarHBondContact O-N 2.96Å; A66-P550 HydrophobicContact CB-CB 4.44Å; A66-P550 HydrophobicContact CB-CG 4.24Å |
| 67 | F | 93.9 | Very high | 90.2 | Very high | 56 Ų | 56 | 33.6 Ų | 33.6 | 25% | 0.246 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.8 | -22.7 | -168 | -155 | -112.6 | 0 | 0 | 0 | 113.7 | I63 L64 E69 V70 L159 Q162 L163 | I63-F67 HydrophobicContact CG2-CD2 4.48Å; I63-F67 WeakPolarHBondContact O-CB 3.2Å; I63-F67 PolarHBondContact O-N 2.86Å; L64-F67 PolarHBondContact O-N 3.21Å; F67-E69 PolarHBondContact O-N 3.22Å; F67-V70 HydrophobicContact CD2-CG2 4.09Å; F67-V70 HydrophobicContact CE2-CG2 4.37Å; F67-V70 WeakPolarHBondContact O-CB 3.1Å; F67-V70 PolarHBondContact O-N 3.34Å; F67-L159 HydrophobicContact CB-CD2 3.88Å; F67-L159 HydrophobicContact CD1-CB 4.03Å; F67-L159 HydrophobicContact CD1-CD2 3.9Å; F67-L159 WeakPolarHBondContact CD1-O 3.34Å; F67-L159 HydrophobicContact CD2-CD2 3.93Å; F67-L159 HydrophobicContact CE1-CB 4Å; F67-L159 HydrophobicContact CE1-CD2 4.37Å; F67-L159 HydrophobicContact CE2-CD2 4.43Å; F67-L159 HydrophobicContact CG-CD2 3.64Å; F67-Q162 HydrophobicContact CB-CB 3.96Å; F67-Q162 HydrophobicContact CD1-CB 4.46Å; F67-L163 HydrophobicContact CD1-CB 3.91Å; F67-L163 HydrophobicContact CE1-CB 3.79Å; F67-L163 HydrophobicContact CE1-CD1 4.31Å; F67-L163 HydrophobicContact CE1-CD2 4.41Å; F67-L163 HydrophobicContact CE1-CG 4.39Å |
| 68 | N | 91.9 | Very high | 89.4 | Confident | 12 Ų | 12 | 36.2 Ų | 36.2 | 6% | 0.064 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.1 | -30.5 | 171.1 | 70.3 | -43.3 | 0 | 0 | 0 | 112.7 | A65 A66 V70 G71 N72 Q162 G166 | A65-N68 PolarHBondContact O-OD1 3.4Å; A66-N68 VanDerWaalsContact C-N 3.26Å; A66-N68 PolarHBondContact O-N 2.91Å; N68-V70 VanDerWaalsContact C-N 3.26Å; N68-V70 PolarHBondContact O-N 3.11Å; N68-G71 PolarHBondContact O-N 3.4Å; N68-N72 PolarHBondContact O-N 3.15Å; N68-N72 VanDerWaalsContact O-N 3.14Å; N68-Q162 WeakPolarHBondContact CA-O 3.27Å; N68-Q162 WeakPolarHBondContact CB-O 3.38Å; N68-G166 WeakPolarHBondContact O-CA 3.41Å |
| 69 | E | 91.1 | Very high | 88.5 | Confident | 31 Ų | 31 | 37.1 Ų | 37.1 | 15% | 0.145 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.4 | -27.1 | 178.3 | -59.8 | -56.3 | 144.6 | 0 | 0 | 112.1 | A66 F67 N72 T73 R542 F546 | A66-E69 WeakPolarHBondContact O-CB 3.48Å; A66-E69 PolarHBondContact O-N 2.96Å; F67-E69 PolarHBondContact O-N 3.22Å; E69-N72 PolarHBondContact O-N 3.36Å; E69-T73 VanDerWaalsContact O-CB 3.25Å; E69-T73 WeakPolarHBondContact O-CB 3.1Å; E69-T73 PolarHBondContact O-N 3.33Å; E69-T73 PolarHBondContact O-OG1 2.96Å; E69-R542 IonicContact OE2-NE 3.53Å; E69-F546 HydrophobicContact CG-CB 3.8Å |
| 70 | V | 90.3 | Very high | 87.2 | Confident | 48 Ų | 48 | 36.9 Ų | 36.9 | 29% | 0.291 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.9 | -53.3 | 175.4 | -179.6 | 0 | 0 | 0 | 0 | 109.8 | F67 N68 N72 T73 V74 L547 | F67-V70 HydrophobicContact CD2-CG2 4.09Å; F67-V70 HydrophobicContact CE2-CG2 4.37Å; F67-V70 WeakPolarHBondContact O-CB 3.1Å; F67-V70 PolarHBondContact O-N 3.34Å; N68-V70 VanDerWaalsContact C-N 3.26Å; N68-V70 PolarHBondContact O-N 3.11Å; V70-N72 VanDerWaalsContact C-N 3.28Å; V70-N72 PolarHBondContact O-N 3.46Å; V70-T73 PolarHBondContact O-N 3.41Å; V70-V74 WeakPolarHBondContact O-CG2 3.32Å; V70-V74 PolarHBondContact O-N 2.89Å; V70-L547 HydrophobicContact CG2-CD1 3.85Å |
| 71 | G | 86 | Confident | 86.1 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.8 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | N68 L75 | N68-G71 PolarHBondContact O-N 3.4Å; G71-L75 PolarHBondContact O-N 3.38Å |
| 72 | N | 85.4 | Confident | 85 | Confident | 19 Ų | 19 | 37.1 Ų | 37.1 | 10% | 0.102 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.8 | -41 | -179.5 | -157.2 | -24.5 | 0 | 0 | 0 | 112.9 | N68 E69 V70 L75 I76 V170 R542 | N68-N72 PolarHBondContact O-N 3.15Å; N68-N72 VanDerWaalsContact O-N 3.14Å; E69-N72 PolarHBondContact O-N 3.36Å; V70-N72 VanDerWaalsContact C-N 3.28Å; V70-N72 PolarHBondContact O-N 3.46Å; N72-L75 PolarHBondContact O-N 3.49Å; N72-I76 WeakPolarHBondContact O-CB 3.33Å; N72-I76 PolarHBondContact O-N 3.44Å; N72-V170 HydrophobicContact CB-CG2 4.17Å; N72-V170 WeakPolarHBondContact OD1-CG2 3.4Å; N72-R542 PolarHBondContact ND2-NH2 3.08Å; N72-R542 VanDerWaalsContact ND2-NH2 3.16Å; N72-R542 PolarHBondContact O-NH1 3.44Å; N72-R542 PolarHBondContact OD1-NH1 2.97Å; N72-R542 PolarHBondContact OD1-NH2 2.85Å |
| 73 | T | 84.3 | Confident | 83.7 | Confident | 34 Ų | 34 | 37.5 Ų | 37.5 | 21% | 0.209 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.8 | -40.8 | -178.5 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | E69 V70 L75 R542 V543 | E69-T73 VanDerWaalsContact O-CB 3.25Å; E69-T73 WeakPolarHBondContact O-CB 3.1Å; E69-T73 PolarHBondContact O-N 3.33Å; E69-T73 PolarHBondContact O-OG1 2.96Å; V70-T73 PolarHBondContact O-N 3.41Å; T73-L75 PolarHBondContact O-N 3.46Å; T73-R542 WeakPolarHBondContact OG1-CB 3.48Å; T73-R542 WeakPolarHBondContact OG1-CD 3.47Å; T73-V543 HydrophobicContact CG2-CG2 4.11Å |
| 74 | V | 81.1 | Confident | 82.3 | Confident | 91 Ų | 91 | 37.3 Ų | 37.3 | 55% | 0.552 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -65.7 | -40 | -179.8 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | V70 F78 | V70-V74 WeakPolarHBondContact O-CG2 3.32Å; V70-V74 PolarHBondContact O-N 2.89Å; V74-F78 VanDerWaalsContact O-CD2 3.26Å; V74-F78 WeakPolarHBondContact O-CD2 3.45Å; V74-F78 VanDerWaalsContact O-CE2 3.29Å; V74-F78 WeakPolarHBondContact O-CE2 3.41Å |
| 75 | L | 83.8 | Confident | 81.5 | Confident | 56 Ų | 56 | 42.5 Ų | 42.5 | 29% | 0.293 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -95.3 | -18.6 | -169.3 | -66.8 | 178.8 | 0 | 0 | 0 | 115.2 | G71 N72 T73 V77 F78 V79 I167 V170 | G71-L75 PolarHBondContact O-N 3.38Å; N72-L75 PolarHBondContact O-N 3.49Å; T73-L75 PolarHBondContact O-N 3.46Å; L75-V77 VanDerWaalsContact C-N 3.29Å; L75-V77 PolarHBondContact O-N 2.84Å; L75-F78 HydrophobicContact CD2-CD2 4.36Å; L75-F78 PolarHBondContact O-N 3.25Å; L75-F78 VanDerWaalsContact O-N 3.13Å; L75-V79 PolarHBondContact O-N 3.02Å; L75-I167 HydrophobicContact CD1-CB 3.96Å; L75-I167 HydrophobicContact CD1-CD1 4.5Å; L75-I167 HydrophobicContact CD1-CG1 3.72Å; L75-I167 HydrophobicContact CD1-CG2 3.56Å; L75-V170 HydrophobicContact CB-CB 4.45Å; L75-V170 HydrophobicContact CB-CG1 4.2Å; L75-V170 HydrophobicContact CB-CG2 3.99Å |
| 76 | I | 79.1 | Confident | 81.1 | Confident | 42 Ų | 42 | 43.3 Ų | 43.3 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.2 | -32.9 | -174.9 | -164.8 | 149.9 | 0 | 0 | 0 | 113.6 | N72 F78 V79 S80 V170 | N72-I76 WeakPolarHBondContact O-CB 3.33Å; N72-I76 PolarHBondContact O-N 3.44Å; I76-F78 VanDerWaalsContact C-N 3.31Å; I76-F78 PolarHBondContact O-N 3.31Å; I76-V79 PolarHBondContact O-N 2.98Å; I76-S80 PolarHBondContact O-N 3.41Å; I76-S80 VanDerWaalsContact O-N 3.1Å; I76-S80 PolarHBondContact O-OG 3.41Å; I76-V170 HydrophobicContact CB-CG1 3.97Å; I76-V170 HydrophobicContact CG1-CG1 4.31Å |
| 77 | V | 74.3 | Confident | 80.9 | Confident | 36 Ų | 36 | 44.7 Ų | 44.7 | 22% | 0.218 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.4 | -41.3 | 176 | -179.6 | 0 | 0 | 0 | 0 | 110.7 | L75 F81 F299 L300 | L75-V77 VanDerWaalsContact C-N 3.29Å; L75-V77 PolarHBondContact O-N 2.84Å; V77-F81 PolarHBondContact O-N 3.45Å; V77-F299 HydrophobicContact CG1-CE1 3.91Å; V77-L300 HydrophobicContact CG1-CD2 4.31Å |
| 78 | F | 76.9 | Confident | 80.8 | Confident | 75 Ų | 75 | 43.5 Ų | 43.5 | 33% | 0.329 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -71.2 | -43.7 | 179.2 | -62.1 | -81.6 | 0 | 0 | 0 | 112.1 | V74 L75 I76 S80 F81 F82 L296 | V74-F78 VanDerWaalsContact O-CD2 3.26Å; V74-F78 WeakPolarHBondContact O-CD2 3.45Å; V74-F78 VanDerWaalsContact O-CE2 3.29Å; V74-F78 WeakPolarHBondContact O-CE2 3.41Å; L75-F78 HydrophobicContact CD2-CD2 4.36Å; L75-F78 PolarHBondContact O-N 3.25Å; L75-F78 VanDerWaalsContact O-N 3.13Å; I76-F78 VanDerWaalsContact C-N 3.31Å; I76-F78 PolarHBondContact O-N 3.31Å; F78-S80 PolarHBondContact O-N 3.49Å; F78-F81 WeakPolarHBondContact O-CB 3.33Å; F78-F81 PolarHBondContact O-N 2.86Å; F78-F82 HydrophobicContact CB-CD2 4.33Å; F78-F82 HydrophobicContact CB-CE2 4.2Å; F78-F82 WeakPolarHBondContact O-CD2 3.39Å; F78-F82 PolarHBondContact O-N 3.08Å; F78-L296 HydrophobicContact CD1-CD1 4.41Å; F78-L296 HydrophobicContact CE1-CD2 4.36Å |
| 79 | V | 76.8 | Confident | 80.9 | Confident | 20 Ų | 20 | 42.9 Ų | 42.9 | 12% | 0.121 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58 | -38.2 | 176.9 | 168.4 | 0 | 0 | 0 | 0 | 111 | L75 I76 F81 F82 G83 V170 P174 F175 | L75-V79 PolarHBondContact O-N 3.02Å; I76-V79 PolarHBondContact O-N 2.98Å; V79-F81 VanDerWaalsContact C-N 3.3Å; V79-F81 PolarHBondContact O-N 3.03Å; V79-F82 PolarHBondContact O-N 3.07Å; V79-G83 PolarHBondContact O-N 3.14Å; V79-G83 VanDerWaalsContact O-N 3.15Å; V79-V170 HydrophobicContact CB-CG1 3.97Å; V79-V170 HydrophobicContact CG1-CG1 4.41Å; V79-V170 HydrophobicContact CG2-CB 4.27Å; V79-V170 HydrophobicContact CG2-CG1 3.52Å; V79-P174 HydrophobicContact CG1-CB 4.41Å; V79-P174 HydrophobicContact CG1-CG 4.49Å; V79-F175 HydrophobicContact CB-CZ 4.37Å; V79-F175 HydrophobicContact CG1-CD1 4.05Å; V79-F175 HydrophobicContact CG1-CE1 3.44Å; V79-F175 VanDerWaalsContact CG1-CE1 3.44Å; V79-F175 HydrophobicContact CG1-CE2 4.11Å; V79-F175 HydrophobicContact CG1-CZ 3.51Å; V79-F175 VanDerWaalsContact O-CE1 3.28Å; V79-F175 WeakPolarHBondContact O-CE1 3.44Å |
| 80 | S | 68.8 | Low | 81 | Confident | 81 Ų | 81 | 49 Ų | 49 | 57% | 0.566 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -64.6 | -33 | 177.9 | -55.3 | 0 | 0 | 0 | 0 | 112.6 | I76 F78 | I76-S80 PolarHBondContact O-N 3.41Å; I76-S80 VanDerWaalsContact O-N 3.1Å; I76-S80 PolarHBondContact O-OG 3.41Å; F78-S80 PolarHBondContact O-N 3.49Å |
| 81 | F | 71.4 | Confident | 81.2 | Confident | 17 Ų | 17 | 52.9 Ų | 52.9 | 8% | 0.075 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -74.7 | -42.4 | 174.7 | 177.3 | -99.3 | 0 | 0 | 0 | 112.7 | V77 F78 V79 G83 L294 L296 F299 | V77-F81 PolarHBondContact O-N 3.45Å; F78-F81 WeakPolarHBondContact O-CB 3.33Å; F78-F81 PolarHBondContact O-N 2.86Å; V79-F81 VanDerWaalsContact C-N 3.3Å; V79-F81 PolarHBondContact O-N 3.03Å; F81-G83 VanDerWaalsContact C-N 3.33Å; F81-G83 PolarHBondContact O-N 3.35Å; F81-L294 WeakPolarHBondContact CE2-O 3.04Å; F81-L296 HydrophobicContact CD1-CD1 4.15Å; F81-L296 HydrophobicContact CD1-CG 4.34Å; F81-L296 HydrophobicContact CE1-CB 4.04Å; F81-L296 HydrophobicContact CE1-CD1 4.14Å; F81-L296 HydrophobicContact CE1-CG 4.28Å; F81-L296 HydrophobicContact CZ-CB 4Å; F81-F299 HydrophobicContact CD2-CG 4.49Å |
| 82 | F | 72.3 | Confident | 81.6 | Confident | 83 Ų | 83 | 52.8 Ų | 52.8 | 36% | 0.364 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -79 | -12.7 | -174.7 | -69.8 | -64 | 0 | 0 | 0 | 114.3 | F78 V79 S84 R85 V86 L296 | F78-F82 HydrophobicContact CB-CD2 4.33Å; F78-F82 HydrophobicContact CB-CE2 4.2Å; F78-F82 WeakPolarHBondContact O-CD2 3.39Å; F78-F82 PolarHBondContact O-N 3.08Å; V79-F82 PolarHBondContact O-N 3.07Å; F82-S84 PolarHBondContact O-N 3.44Å; F82-R85 PolarHBondContact O-N 3.34Å; F82-V86 HydrophobicContact CB-CG1 4.05Å; F82-V86 WeakPolarHBondContact O-CG2 3.47Å; F82-V86 PolarHBondContact O-N 3.24Å; F82-L296 HydrophobicContact CE2-CD1 4.38Å; F82-L296 HydrophobicContact CZ-CD1 3.89Å |
| 83 | G | 69.6 | Low | 82.1 | Confident | 8 Ų | 8 | 52 Ų | 52 | 8% | 0.082 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -43.4 | -166.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | V79 F81 R85 R88 | V79-G83 PolarHBondContact O-N 3.14Å; V79-G83 VanDerWaalsContact O-N 3.15Å; F81-G83 VanDerWaalsContact C-N 3.33Å; F81-G83 PolarHBondContact O-N 3.35Å; G83-R85 VanDerWaalsContact C-N 3.32Å; G83-R85 PolarHBondContact O-N 2.86Å; G83-R88 VanDerWaalsContact O-CG 3.28Å; G83-R88 WeakPolarHBondContact O-CG 3.46Å; G83-R88 PolarHBondContact O-NE 3.27Å |
| 84 | S | 67.9 | Low | 82.7 | Confident | 57 Ų | 57 | 52.4 Ų | 52.4 | 40% | 0.399 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -11.5 | 178.6 | 60 | 0 | 0 | 0 | 0 | 114 | F82 | F82-S84 PolarHBondContact O-N 3.44Š|
| 85 | R | 78.5 | Confident | 83.4 | Confident | 112 Ų | 112 | 48.4 Ų | 48.4 | 42% | 0.423 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -13.6 | -171.9 | -59 | -172.6 | -178.9 | -173.4 | 6.6 | 113.5 | F82 G83 R292 | F82-R85 PolarHBondContact O-N 3.34Å; G83-R85 VanDerWaalsContact C-N 3.32Å; G83-R85 PolarHBondContact O-N 2.86Å; R85-R292 PolarHBondContact NH2-O 3.06Å |
| 86 | V | 86.1 | Confident | 84 | Confident | 22 Ų | 22 | 45.8 Ų | 45.8 | 13% | 0.133 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -112.4 | 164.5 | -173.9 | -59.8 | 0 | 0 | 0 | 0 | 113.2 | F82 R88 Y91 F175 | F82-V86 HydrophobicContact CB-CG1 4.05Å; F82-V86 WeakPolarHBondContact O-CG2 3.47Å; F82-V86 PolarHBondContact O-N 3.24Å; V86-R88 VanDerWaalsContact C-N 3.3Å; V86-R88 HydrophobicContact CG2-CG 4.46Å; V86-R88 PolarHBondContact O-N 2.93Å; V86-Y91 HydrophobicContact CB-CD2 3.83Å; V86-Y91 HydrophobicContact CB-CE2 3.59Å; V86-Y91 HydrophobicContact CG1-CE2 3.88Å; V86-Y91 HydrophobicContact CG2-CD2 3.92Å; V86-Y91 HydrophobicContact CG2-CE2 4.15Å; V86-Y91 HydrophobicContact CG2-CG 4.32Å; V86-F175 HydrophobicContact CG2-CE2 4.06Å; V86-F175 HydrophobicContact CG2-CZ 3.99Å |
| 87 | H | 90.1 | Very high | 84.9 | Confident | 36 Ų | 36 | 47.2 Ų | 47.2 | 17% | 0.167 | 24% | 0.239 | C | C | . | . | trans | -74.9 | 81.6 | 169.9 | -167.3 | -45.3 | 0 | 0 | 0 | 110.4 | R90 Y91 F263 R265 | H87-R90 HydrophobicContact CB-CB 4.4Å; H87-R90 PolarHBondContact O-N 3.39Å; H87-Y91 PolarHBondContact O-N 3.39Å; H87-F263 PolarHBondContact CE1-O 3.48Å; H87-R265 HydrophobicContact CB-CG 4.45Å; H87-R265 PolarHBondContact CE1-N 2Å; H87-R265 VanDerWaalsContact CE1-N 3.35Å; H87-R265 WeakPolarHBondContact NE2-CA 3.39Å; H87-R265 PolarHBondContact NE2-N 3.49Å | ||
| 88 | R | 90.9 | Very high | 86 | Confident | 30 Ų | 30 | 48 Ų | 48 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -43.8 | -51.2 | -172.9 | -68.9 | -177.2 | -155.3 | 160.9 | 9.3 | 114.5 | G83 V86 R90 Y91 I92 F175 S178 Y179 D182 | G83-R88 VanDerWaalsContact O-CG 3.28Å; G83-R88 WeakPolarHBondContact O-CG 3.46Å; G83-R88 PolarHBondContact O-NE 3.27Å; V86-R88 VanDerWaalsContact C-N 3.3Å; V86-R88 HydrophobicContact CG2-CG 4.46Å; V86-R88 PolarHBondContact O-N 2.93Å; R88-R90 VanDerWaalsContact C-N 3.33Å; R88-R90 PolarHBondContact O-N 3.34Å; R88-Y91 PolarHBondContact O-N 3.5Å; R88-I92 WeakPolarHBondContact O-CG1 3.36Å; R88-I92 PolarHBondContact O-N 3.04Å; R88-F175 HydrophobicContact CB-CB 4.09Å; R88-F175 HydrophobicContact CB-CG 4.33Å; R88-F175 HydrophobicContact CG-CB 4.25Å; R88-F175 HydrophobicContact CG-CD1 4.31Å; R88-F175 HydrophobicContact CG-CG 4.15Å; R88-S178 PolarHBondContact NH1-O 3.4Å; R88-S178 PolarHBondContact NH1-OG 3.11Å; R88-Y179 HydrophobicContact CB-CD2 4.18Å; R88-D182 IonicContact CZ-OD2 3.13Å; R88-D182 IonicContact NH1-OD2 2.65Å; R88-D182 PolarHBondContact NH1-OD2 3.46Å; R88-D182 IonicContact NH2-OD2 2.76Å; R88-D182 PolarHBondContact NH2-OD2 2.94Å |
| 89 | P | 93.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.1 | -39.6 | 178.4 | -29.1 | 36.3 | 0 | 0 | 0 | 114.9 | F25 Y91 I92 G93 Y179 Y260 F263 | F25-P89 HydrophobicContact CE2-CG 4.33Å; P89-Y91 PolarHBondContact O-N 3.25Å; P89-I92 WeakPolarHBondContact O-CB 3.25Å; P89-I92 PolarHBondContact O-N 2.88Å; P89-G93 PolarHBondContact O-N 3.3Å; P89-Y179 HydrophobicContact CG-CD2 3.97Å; P89-Y179 HydrophobicContact CG-CE2 3.49Å; P89-Y179 VanDerWaalsContact CG-CE2 3.49Å; P89-Y260 HydrophobicContact CB-CD1 4.09Å; P89-Y260 WeakPolarHBondContact O-CB 3.24Å; P89-Y260 VanDerWaalsContact O-CD1 3.3Å; P89-Y260 WeakPolarHBondContact O-CD1 3.47Å; P89-F263 HydrophobicContact CB-CB 3.76Å; P89-F263 HydrophobicContact CG-CB 4.06Å |
| 90 | R | 94.1 | Very high | 87.9 | Confident | 160 Ų | 160 | 43.9 Ų | 43.9 | 60% | 0.604 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -68.5 | -35.8 | 179.6 | -72.6 | -175.8 | -177.8 | -178.4 | 0.4 | 112.3 | H87 R88 G93 G94 | H87-R90 HydrophobicContact CB-CB 4.4Å; H87-R90 PolarHBondContact O-N 3.39Å; R88-R90 VanDerWaalsContact C-N 3.33Å; R88-R90 PolarHBondContact O-N 3.34Å; R90-G93 PolarHBondContact O-N 3.31Å; R90-G94 PolarHBondContact O-N 2.88Å |
| 91 | Y | 93.8 | Very high | 89.3 | Confident | 129 Ų | 129 | 45 Ų | 45 | 51% | 0.506 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -69.7 | -35.8 | 174 | -84.5 | -99.7 | 0 | 0 | 0 | 112.2 | V86 H87 R88 P89 G94 G95 P171 F175 | V86-Y91 HydrophobicContact CB-CD2 3.83Å; V86-Y91 HydrophobicContact CB-CE2 3.59Å; V86-Y91 HydrophobicContact CG1-CE2 3.88Å; V86-Y91 HydrophobicContact CG2-CD2 3.92Å; V86-Y91 HydrophobicContact CG2-CE2 4.15Å; V86-Y91 HydrophobicContact CG2-CG 4.32Å; H87-Y91 PolarHBondContact O-N 3.39Å; R88-Y91 PolarHBondContact O-N 3.5Å; P89-Y91 PolarHBondContact O-N 3.25Å; Y91-G94 PolarHBondContact O-N 3.29Å; Y91-G95 PolarHBondContact O-N 3.2Å; Y91-P171 WeakPolarHBondContact O-CG 3.48Å; Y91-F175 HydrophobicContact CD1-CE2 4.46Å; Y91-F175 HydrophobicContact CG-CE2 4.19Å |
| 92 | I | 95.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -49.5 | 171.2 | -63.8 | 166.6 | 0 | 0 | 0 | 109.8 | F25 L32 R88 P89 G94 G95 A96 I172 F175 Y260 | F25-I92 HydrophobicContact CZ-CD1 4.11Å; L32-I92 HydrophobicContact CD2-CG2 3.45Å; L32-I92 VanDerWaalsContact CD2-CG2 3.45Å; R88-I92 WeakPolarHBondContact O-CG1 3.36Å; R88-I92 PolarHBondContact O-N 3.04Å; P89-I92 WeakPolarHBondContact O-CB 3.25Å; P89-I92 PolarHBondContact O-N 2.88Å; I92-G94 PolarHBondContact O-N 3.32Å; I92-G95 PolarHBondContact O-N 3.22Å; I92-A96 WeakPolarHBondContact O-CB 3.4Å; I92-A96 PolarHBondContact O-N 3.36Å; I92-I172 HydrophobicContact CG2-CG1 4.5Å; I92-F175 HydrophobicContact CD1-CB 3.76Å; I92-F175 HydrophobicContact CG1-CB 3.7Å; I92-F175 HydrophobicContact CG1-CD2 4.42Å; I92-Y260 HydrophobicContact CB-CD1 3.79Å; I92-Y260 HydrophobicContact CB-CE1 3.75Å; I92-Y260 HydrophobicContact CD1-CD1 4.47Å; I92-Y260 HydrophobicContact CD1-CE1 3.88Å; I92-Y260 HydrophobicContact CG1-CE1 4.44Å; I92-Y260 HydrophobicContact CG2-CD1 3.7Å; I92-Y260 HydrophobicContact CG2-CD2 4.45Å; I92-Y260 HydrophobicContact CG2-CE1 3.33Å; I92-Y260 HydrophobicContact CG2-CE2 4.15Å; I92-Y260 HydrophobicContact CG2-CG 4.24Å |
| 93 | G | 96.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 40.2 Ų | 40.2 | 4% | 0.041 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60 | -44.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P89 R90 A96 L97 | P89-G93 PolarHBondContact O-N 3.3Å; R90-G93 PolarHBondContact O-N 3.31Å; G93-A96 WeakPolarHBondContact O-CB 3.5Å; G93-A96 PolarHBondContact O-N 3.34Å; G93-L97 WeakPolarHBondContact O-CG 3.22Å; G93-L97 PolarHBondContact O-N 3.1Å |
| 94 | G | 96.1 | Very high | 93 | Very high | 41 Ų | 41 | 43.1 Ų | 43.1 | 42% | 0.423 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.6 | -42.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R90 Y91 I92 L97 L98 | R90-G94 PolarHBondContact O-N 2.88Å; Y91-G94 PolarHBondContact O-N 3.29Å; I92-G94 PolarHBondContact O-N 3.32Å; G94-L97 PolarHBondContact O-N 3.5Å; G94-L98 PolarHBondContact O-N 2.93Å |
| 95 | G | 95.5 | Very high | 94.4 | Very high | 8 Ų | 8 | 42.1 Ų | 42.1 | 8% | 0.082 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -41.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y91 I92 L98 A99 G168 | Y91-G95 PolarHBondContact O-N 3.2Å; I92-G95 PolarHBondContact O-N 3.22Å; G95-L98 PolarHBondContact O-N 3.32Å; G95-A99 WeakPolarHBondContact O-CB 3.38Å; G95-A99 PolarHBondContact O-N 3.23Å; G95-G168 CarbonylContact C-O 3.16Å; G95-G168 WeakPolarHBondContact CA-O 3.33Å; G95-G168 CarbonylContact O-C 3.42Å; G95-G168 VanDerWaalsContact O-CA 3.23Å; G95-G168 WeakPolarHBondContact O-CA 3.24Å; G95-G168 VanDerWaalsContact O-O 3.11Å |
| 96 | A | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L32 I92 G93 A99 C100 I172 A257 | L32-A96 HydrophobicContact CD1-CB 3.56Å; L32-A96 HydrophobicContact CD2-CB 4.05Å; L32-A96 HydrophobicContact CG-CB 4.43Å; I92-A96 WeakPolarHBondContact O-CB 3.4Å; I92-A96 PolarHBondContact O-N 3.36Å; G93-A96 WeakPolarHBondContact O-CB 3.5Å; G93-A96 PolarHBondContact O-N 3.34Å; A96-A99 PolarHBondContact O-N 3.29Å; A96-C100 WeakPolarHBondContact O-CB 3.5Å; A96-C100 PolarHBondContact O-N 3.23Å; A96-I172 HydrophobicContact CB-CD1 4.41Å; A96-A257 HydrophobicContact CB-CB 3.68Å |
| 97 | L | 97.8 | Very high | 95.7 | Very high | 73 Ų | 73 | 35.8 Ų | 35.8 | 38% | 0.382 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -65.3 | -39.1 | 174.3 | -71 | 174.1 | 0 | 0 | 0 | 111.8 | G93 G94 C100 L101 F254 A257 | G93-L97 WeakPolarHBondContact O-CG 3.22Å; G93-L97 PolarHBondContact O-N 3.1Å; G94-L97 PolarHBondContact O-N 3.5Å; L97-C100 WeakPolarHBondContact O-CB 3.41Å; L97-C100 PolarHBondContact O-N 2.95Å; L97-L101 PolarHBondContact O-N 3.35Å; L97-F254 HydrophobicContact CD2-CD2 3.87Å; L97-F254 HydrophobicContact CD2-CE2 4.06Å; L97-A257 HydrophobicContact CD2-CB 4.05Å; L97-A257 HydrophobicContact CG-CB 4.24Å |
| 98 | L | 97.3 | Very high | 95.9 | Very high | 51 Ų | 51 | 36.3 Ų | 36.3 | 27% | 0.267 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.4 | -41.7 | 173.4 | -176.4 | 61.5 | 0 | 0 | 0 | 111.6 | G94 G95 C100 L101 A102 L164 I167 | G94-L98 PolarHBondContact O-N 2.93Å; G95-L98 PolarHBondContact O-N 3.32Å; L98-C100 VanDerWaalsContact C-N 3.32Å; L98-C100 PolarHBondContact O-N 3.39Å; L98-L101 PolarHBondContact O-N 3.36Å; L98-A102 VanDerWaalsContact O-CB 3.31Å; L98-A102 WeakPolarHBondContact O-CB 3.5Å; L98-A102 PolarHBondContact O-N 3.19Å; L98-L164 HydrophobicContact CD1-CD2 4.35Å; L98-I167 HydrophobicContact CD2-CB 4.16Å; L98-I167 HydrophobicContact CD2-CG2 3.5Å; L98-I167 VanDerWaalsContact CD2-CG2 3.5Å |
| 99 | A | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.3 | -37 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G95 A96 A102 S103 L165 L253 | G95-A99 WeakPolarHBondContact O-CB 3.38Å; G95-A99 PolarHBondContact O-N 3.23Å; A96-A99 PolarHBondContact O-N 3.29Å; A99-A102 PolarHBondContact O-N 3.42Å; A99-S103 WeakPolarHBondContact O-CB 3.45Å; A99-S103 PolarHBondContact O-N 3.48Å; A99-L165 HydrophobicContact CB-CD1 3.86Å; A99-L253 HydrophobicContact CB-CD1 4.45Å |
| 100 | C | 97.5 | Very high | 95.9 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 7% | 0.068 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.8 | -50 | 172.3 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | A96 L97 L98 A102 S103 L104 S250 L253 | A96-C100 WeakPolarHBondContact O-CB 3.5Å; A96-C100 PolarHBondContact O-N 3.23Å; L97-C100 WeakPolarHBondContact O-CB 3.41Å; L97-C100 PolarHBondContact O-N 2.95Å; L98-C100 VanDerWaalsContact C-N 3.32Å; L98-C100 PolarHBondContact O-N 3.39Å; C100-A102 VanDerWaalsContact C-N 3.3Å; C100-A102 PolarHBondContact O-N 3.43Å; C100-S103 PolarHBondContact O-N 3.36Å; C100-L104 PolarHBondContact O-N 3.19Å; C100-S250 PolarHBondContact SG-O 3.31Å; C100-S250 VanDerWaalsContact SG-O 3.36Å; C100-L253 HydrophobicContact CB-CB 4.21Å |
| 101 | L | 97.8 | Very high | 95.7 | Very high | 103 Ų | 103 | 32.6 Ų | 32.6 | 54% | 0.539 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -60.8 | -40.8 | 177.1 | -179.2 | 61.6 | 0 | 0 | 0 | 111.6 | L97 L98 L104 L105 | L97-L101 PolarHBondContact O-N 3.35Å; L98-L101 PolarHBondContact O-N 3.36Å; L101-L104 PolarHBondContact O-N 2.92Å; L101-L105 WeakPolarHBondContact O-CB 3.49Å; L101-L105 PolarHBondContact O-N 3.03Å |
| 102 | A | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.1 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L98 A99 C100 L105 M106 G161 L164 L165 | L98-A102 VanDerWaalsContact O-CB 3.31Å; L98-A102 WeakPolarHBondContact O-CB 3.5Å; L98-A102 PolarHBondContact O-N 3.19Å; A99-A102 PolarHBondContact O-N 3.42Å; C100-A102 VanDerWaalsContact C-N 3.3Å; C100-A102 PolarHBondContact O-N 3.43Å; A102-L105 WeakPolarHBondContact O-CB 3.48Å; A102-L105 PolarHBondContact O-N 3.31Å; A102-M106 WeakPolarHBondContact O-CG 3.36Å; A102-M106 PolarHBondContact O-N 3.38Å; A102-G161 WeakPolarHBondContact CB-O 3.45Å; A102-L164 HydrophobicContact CB-CB 3.69Å; A102-L165 HydrophobicContact CB-CB 3.89Å; A102-L165 VanDerWaalsContact CB-N 3.32Å |
| 103 | S | 97 | Very high | 95 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 175.1 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | A99 C100 M106 A107 F246 | A99-S103 WeakPolarHBondContact O-CB 3.45Å; A99-S103 PolarHBondContact O-N 3.48Å; C100-S103 PolarHBondContact O-N 3.36Å; S103-M106 WeakPolarHBondContact O-CB 3.46Å; S103-M106 PolarHBondContact O-N 2.81Å; S103-A107 PolarHBondContact O-N 3.45Å; S103-F246 WeakPolarHBondContact O-CB 3.41Å; S103-F246 PolarHBondContact OG-O 3.41Å; S103-F246 VanDerWaalsContact OG-O 3.08Å |
| 104 | L | 97.1 | Very high | 94.3 | Very high | 69 Ų | 69 | 34.4 Ų | 34.4 | 36% | 0.361 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 172.7 | -72.5 | 169.9 | 0 | 0 | 0 | 111.4 | C100 L101 M106 A107 V108 L247 S250 | C100-L104 PolarHBondContact O-N 3.19Å; L101-L104 PolarHBondContact O-N 2.92Å; L104-M106 PolarHBondContact O-N 3.48Å; L104-A107 WeakPolarHBondContact O-CB 3.39Å; L104-A107 PolarHBondContact O-N 2.85Å; L104-V108 PolarHBondContact O-N 3.37Å; L104-L247 HydrophobicContact CD2-CD2 3.85Å; L104-S250 VanDerWaalsContact CD2-OG 3.24Å; L104-S250 WeakPolarHBondContact CD2-OG 3.49Å |
| 105 | L | 96.7 | Very high | 93.7 | Very high | 37 Ų | 37 | 37.2 Ų | 37.2 | 19% | 0.194 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.5 | -35 | 176.9 | -167.6 | 64.8 | 0 | 0 | 0 | 112.1 | L101 A102 A107 V108 P109 L157 L160 L164 | L101-L105 WeakPolarHBondContact O-CB 3.49Å; L101-L105 PolarHBondContact O-N 3.03Å; A102-L105 WeakPolarHBondContact O-CB 3.48Å; A102-L105 PolarHBondContact O-N 3.31Å; L105-A107 VanDerWaalsContact C-N 3.27Å; L105-A107 PolarHBondContact O-N 2.84Å; L105-V108 HydrophobicContact CD1-CG2 4.39Å; L105-V108 WeakPolarHBondContact O-CB 3.09Å; L105-V108 PolarHBondContact O-N 3.44Å; L105-P109 WeakPolarHBondContact O-CD 3.17Å; L105-L157 HydrophobicContact CD1-CD1 3.55Å; L105-L157 HydrophobicContact CD1-CG 4.49Å; L105-L157 HydrophobicContact CD2-CD1 4.25Å; L105-L157 HydrophobicContact CG-CD1 3.84Å; L105-L160 HydrophobicContact CD2-CB 4.37Å; L105-L160 HydrophobicContact CD2-CD2 4.04Å; L105-L160 HydrophobicContact CD2-CG 3.92Å; L105-L164 HydrophobicContact CD2-CD1 3.97Å |
| 106 | M | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.2 | -28.8 | 174 | -69.2 | -67.5 | -59.1 | 0 | 0 | 113 | M43 A102 S103 L104 P109 L158 Q162 W242 F246 | M43-M106 HydrophobicContact CE-CE 3.7Å; M43-M106 HydrophobicContact SD-CE 3.42Å; M43-M106 WeakPolarHBondContact SD-CE 3.43Å; A102-M106 WeakPolarHBondContact O-CG 3.36Å; A102-M106 PolarHBondContact O-N 3.38Å; S103-M106 WeakPolarHBondContact O-CB 3.46Å; S103-M106 PolarHBondContact O-N 2.81Å; L104-M106 PolarHBondContact O-N 3.48Å; M106-P109 VanDerWaalsContact O-CD 3.31Å; M106-P109 WeakPolarHBondContact O-CD 3.45Å; M106-L158 HydrophobicContact CE-CB 4.38Å; M106-L158 HydrophobicContact CE-CD2 3.48Å; M106-L158 VanDerWaalsContact CE-CD2 3.48Å; M106-L158 HydrophobicContact SD-CB 4.38Å; M106-L158 HydrophobicContact SD-CD2 3.95Å; M106-Q162 HydrophobicContact CE-CG 4.36Å; M106-Q162 HydrophobicContact SD-CG 4.07Å; M106-W242 WeakPolarHBondContact O-CZ3 3.38Å; M106-F246 HydrophobicContact CB-CD1 3.89Å; M106-F246 HydrophobicContact CB-CD2 4.03Å; M106-F246 HydrophobicContact CB-CE1 4.03Å; M106-F246 HydrophobicContact CB-CE2 4.16Å; M106-F246 HydrophobicContact CB-CG 3.91Å; M106-F246 HydrophobicContact CB-CZ 4.18Å; M106-F246 HydrophobicContact CE-CE1 4.45Å; M106-F246 HydrophobicContact CE-CE2 4.39Å; M106-F246 HydrophobicContact CE-CZ 3.96Å; M106-F246 HydrophobicContact CG-CE1 4.4Å |
| 107 | A | 96.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.008 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -81 | -26.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S103 L104 L105 H110 F111 W243 F246 L247 | S103-A107 PolarHBondContact O-N 3.45Å; L104-A107 WeakPolarHBondContact O-CB 3.39Å; L104-A107 PolarHBondContact O-N 2.85Å; L105-A107 VanDerWaalsContact C-N 3.27Å; L105-A107 PolarHBondContact O-N 2.84Å; A107-H110 PolarHBondContact O-N 2.88Å; A107-F111 HydrophobicContact CB-CE2 4.43Å; A107-W243 HydrophobicContact CB-CB 4.42Å; A107-F246 HydrophobicContact CB-CB 3.95Å; A107-L247 HydrophobicContact CB-CD2 3.81Å; A107-L247 HydrophobicContact CB-CG 4.22Å |
| 108 | V | 94.3 | Very high | 91.1 | Very high | 47 Ų | 47 | 37.4 Ų | 37.4 | 29% | 0.285 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -50.8 | -41.4 | -176.2 | 173.6 | 0 | 0 | 0 | 0 | 114.6 | L104 L105 H110 F111 L112 L157 | L104-V108 PolarHBondContact O-N 3.37Å; L105-V108 HydrophobicContact CD1-CG2 4.39Å; L105-V108 WeakPolarHBondContact O-CB 3.09Å; L105-V108 PolarHBondContact O-N 3.44Å; V108-H110 PolarHBondContact O-N 3.16Å; V108-H110 VanDerWaalsContact O-N 3.08Å; V108-F111 PolarHBondContact O-N 3.13Å; V108-L112 HydrophobicContact CG1-CD1 3.56Å; V108-L112 HydrophobicContact CG1-CG 3.75Å; V108-L112 PolarHBondContact O-N 2.92Å; V108-L112 VanDerWaalsContact O-N 3.13Å; V108-L157 HydrophobicContact CB-CD2 4.31Å; V108-L157 HydrophobicContact CG1-CD2 4Å |
| 109 | P | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.1 | -33.7 | -177.8 | -25.8 | 31.3 | 0 | 0 | 0 | 114.4 | Y54 L105 M106 F111 L112 S113 V154 L157 L158 W242 | Y54-P109 VanDerWaalsContact OH-C 3.29Å; Y54-P109 WeakPolarHBondContact OH-CB 3.15Å; Y54-P109 PolarHBondContact OH-O 2.79Å; L105-P109 WeakPolarHBondContact O-CD 3.17Å; M106-P109 VanDerWaalsContact O-CD 3.31Å; M106-P109 WeakPolarHBondContact O-CD 3.45Å; P109-F111 VanDerWaalsContact C-N 3.34Å; P109-F111 PolarHBondContact O-N 2.85Å; P109-L112 PolarHBondContact O-N 3.07Å; P109-S113 VanDerWaalsContact O-CB 3.24Å; P109-S113 WeakPolarHBondContact O-CB 3.28Å; P109-S113 PolarHBondContact O-N 2.86Å; P109-S113 PolarHBondContact O-OG 3.33Å; P109-V154 HydrophobicContact CB-CB 4.41Å; P109-V154 HydrophobicContact CB-CG1 3.7Å; P109-V154 HydrophobicContact CB-CG2 4.07Å; P109-V154 HydrophobicContact CG-CG1 4.13Å; P109-L157 HydrophobicContact CG-CD2 3.89Å; P109-L157 HydrophobicContact CG-CG 4.36Å; P109-L158 HydrophobicContact CG-CD2 3.86Å; P109-L158 HydrophobicContact CG-CG 4.13Å; P109-W242 HydrophobicContact CB-CH2 4.01Å; P109-W242 HydrophobicContact CG-CH2 4.26Å |
| 110 | H | 91.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.5 | -38.7 | 178.3 | 169.3 | 78 | 0 | 0 | 0 | 112.4 | R53 A107 V108 V219 D220 D222 K223 W242 W243 | R53-H110 PolarHBondContact NH1-ND1 3.14Å; R53-H110 PolarHBondContact NH2-ND1 3.11Å; A107-H110 PolarHBondContact O-N 2.88Å; V108-H110 PolarHBondContact O-N 3.16Å; V108-H110 VanDerWaalsContact O-N 3.08Å; H110-V219 PolarHBondContact CE1-O 2.86Å; H110-D220 IonicContact CE1-OD1 3.56Å; H110-D220 PolarHBondContact CE1-OD1 3.48Å; H110-D220 IonicContact ND1-OD1 3.74Å; H110-D222 IonicContact CE1-OD1 2.82Å; H110-D222 IonicContact NE2-OD1 3.13Å; H110-D222 PolarHBondContact NE2-OD1 3.2Å; H110-D222 IonicContact NE2-OD2 3.5Å; H110-D222 PolarHBondContact NE2-OD2 3.47Å; H110-K223 PolarHBondContact O-NZ 2.99Å; H110-W242 HydrophobicContact CB-CH2 4.27Å; H110-W242 HydrophobicContact CB-CZ2 3.85Å; H110-W243 HydrophobicContact CB-CB 3.67Å; H110-W243 HydrophobicContact CB-CG 3.71Å; H110-W243 AromaticContact CD2-CD1 3.53Å; H110-W243 AromaticContact CD2-CD2 3.67Å; H110-W243 AromaticContact CD2-CE2 3.57Å; H110-W243 AromaticContact CD2-CG 3.65Å; H110-W243 AromaticContact CD2-NE1 3.48Å; H110-W243 PolarHBondContact CD2-NE1 2.99Å; H110-W243 AromaticContact CE1-CD1 3.65Å; H110-W243 AromaticContact CE1-CE2 3.9Å; H110-W243 AromaticContact CE1-NE1 3.22Å; H110-W243 PolarHBondContact CE1-NE1 3.26Å; H110-W243 AromaticContact CG-CD1 3.19Å; H110-W243 AromaticContact CG-CG 3.51Å; H110-W243 AromaticContact CG-NE1 3.54Å; H110-W243 AromaticContact ND1-CD1 3.28Å; H110-W243 VanDerWaalsContact ND1-CD1 3.28Å; H110-W243 AromaticContact ND1-NE1 3.4Å; H110-W243 PolarHBondContact ND1-NE1 3.18Å; H110-W243 AromaticContact NE2-CD1 3.82Å; H110-W243 AromaticContact NE2-CE2 3.49Å; H110-W243 AromaticContact NE2-CZ2 3.85Å; H110-W243 AromaticContact NE2-NE1 3.3Å; H110-W243 PolarHBondContact NE2-NE1 3.45Å |
| 111 | F | 91.1 | Very high | 85.6 | Confident | 111 Ų | 111 | 39.7 Ų | 39.7 | 49% | 0.487 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -77 | -28.7 | 179.9 | -58.9 | -70.9 | 0 | 0 | 0 | 112.8 | A107 V108 P109 W243 L247 | A107-F111 HydrophobicContact CB-CE2 4.43Å; V108-F111 PolarHBondContact O-N 3.13Å; P109-F111 VanDerWaalsContact C-N 3.34Å; P109-F111 PolarHBondContact O-N 2.85Å; F111-W243 HydrophobicContact CE1-CZ3 4.38Å; F111-W243 HydrophobicContact CE2-CE3 4.28Å; F111-W243 HydrophobicContact CZ-CD2 4.43Å; F111-W243 AromaticContact CZ-CE3 3.71Å; F111-W243 HydrophobicContact CZ-CE3 3.71Å; F111-W243 AromaticContact CZ-CZ3 3.79Å; F111-W243 HydrophobicContact CZ-CZ3 3.79Å; F111-L247 HydrophobicContact CZ-CD1 4.21Å |
| 112 | L | 88.3 | Confident | 83.3 | Confident | 116 Ų | 116 | 38.4 Ų | 38.4 | 61% | 0.607 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -79.3 | -26.6 | 174 | -63.5 | -178.9 | 0 | 0 | 0 | 112.9 | V108 P109 L157 | V108-L112 HydrophobicContact CG1-CD1 3.56Å; V108-L112 HydrophobicContact CG1-CG 3.75Å; V108-L112 PolarHBondContact O-N 2.92Å; V108-L112 VanDerWaalsContact O-N 3.13Å; P109-L112 PolarHBondContact O-N 3.07Å; L112-L157 HydrophobicContact CD1-CD2 4.06Å |
| 113 | S | 85.3 | Confident | 81.1 | Confident | 11 Ų | 11 | 40.2 Ų | 40.2 | 8% | 0.077 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -83.4 | 146.1 | -179.2 | -56 | 0 | 0 | 0 | 0 | 111.3 | Y54 P109 K223 | Y54-S113 WeakPolarHBondContact CE1-OG 3.48Å; Y54-S113 PolarHBondContact OH-OG 3.09Å; Y54-S113 VanDerWaalsContact OH-OG 3.05Å; P109-S113 VanDerWaalsContact O-CB 3.24Å; P109-S113 WeakPolarHBondContact O-CB 3.28Å; P109-S113 PolarHBondContact O-N 2.86Å; P109-S113 PolarHBondContact O-OG 3.33Å; S113-K223 PolarHBondContact O-NZ 3.04Å |
| 114 | G | 82.1 | Confident | 78.5 | Confident | 45 Ų | 45 | 45.2 Ų | 45.2 | 46% | 0.464 | 25% | 0.247 | S | C | . | . | trans | -59.2 | -179.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R53 | R53-G114 PolarHBondContact NH2-O 3.32Š| ||
| 115 | H | 82.1 | Confident | 75.8 | Confident | 99 Ų | 99 | 46.5 Ų | 46.5 | 46% | 0.458 | 26% | 0.262 | S | S | . | . | trans | -61.3 | 149.4 | 171 | 63.9 | -83.5 | 0 | 0 | 0 | 110.1 | I117 | H115-I117 VanDerWaalsContact NE2-CG1 3.33Å; H115-I117 WeakPolarHBondContact NE2-CG1 3.45Å; H115-I117 PolarHBondContact O-N 2.87Å | ||
| 116 | Y | 84.9 | Confident | 73.1 | Confident | 25 Ų | 25 | 50.6 Ų | 50.6 | 10% | 0.098 | 29% | 0.289 | C | S | . | . | trans | -74.2 | 110.2 | 179.7 | 172.6 | -114.6 | 0 | 0 | 0 | 109.3 | R53 Y118 Y218 V219 D220 R237 V239 | R53-Y116 HydrophobicContact CG-CD2 4.4Å; Y116-Y118 HydrophobicContact CD1-CD1 4.34Å; Y116-Y118 HydrophobicContact CE1-CD1 4.29Å; Y116-Y218 WeakPolarHBondContact CD1-OH 3.44Å; Y116-V219 HydrophobicContact CD1-CG1 4.49Å; Y116-V219 HydrophobicContact CG-CG1 4.41Å; Y116-D220 WeakPolarHBondContact CA-OD2 3.38Å; Y116-D220 WeakPolarHBondContact CB-OD2 3.09Å; Y116-D220 PolarHBondContact N-OD2 2.81Å; Y116-R237 WeakPolarHBondContact CE1-O 3.41Å; Y116-R237 PolarHBondContact OH-O 2.96Å; Y116-R237 VanDerWaalsContact OH-O 3.11Å; Y116-V239 HydrophobicContact CD1-CG2 4.15Å; Y116-V239 HydrophobicContact CD2-CG2 4.42Å; Y116-V239 HydrophobicContact CE1-CB 4.38Å; Y116-V239 HydrophobicContact CE1-CG2 3.63Å; Y116-V239 HydrophobicContact CE2-CG2 3.93Å; Y116-V239 VanDerWaalsContact CZ-CG2 3.5Å | ||
| 117 | I | 75.8 | Confident | 70.5 | Confident | 47 Ų | 47 | 56.6 Ų | 56.6 | 24% | 0.241 | 32% | 0.321 | C | S | . | . | trans | -91.5 | 124.2 | -179.2 | -61.9 | 171.8 | 0 | 0 | 0 | 109.3 | H115 I122 | H115-I117 VanDerWaalsContact NE2-CG1 3.33Å; H115-I117 WeakPolarHBondContact NE2-CG1 3.45Å; H115-I117 PolarHBondContact O-N 2.87Å; I117-I122 HydrophobicContact CG2-CB 4.45Å; I117-I122 HydrophobicContact CG2-CD1 3.6Å; I117-I122 HydrophobicContact CG2-CG1 3.08Å | ||
| 118 | Y | 75.8 | Confident | 68.2 | Low | 13 Ų | 13 | 63.8 Ų | 63.8 | 5% | 0.051 | 36% | 0.359 | C | S | . | . | trans | -123.8 | 160.9 | 171.7 | 64.3 | -85.1 | 0 | 0 | 0 | 110.5 | Y116 D120 M121 I122 L231 | Y116-Y118 HydrophobicContact CD1-CD1 4.34Å; Y116-Y118 HydrophobicContact CE1-CD1 4.29Å; Y118-D120 VanDerWaalsContact C-N 3.31Å; Y118-D120 HydrophobicContact CD2-CB 3.97Å; Y118-D120 HydrophobicContact CE2-CB 3.61Å; Y118-D120 PolarHBondContact O-N 3.37Å; Y118-D120 VanDerWaalsContact O-N 3.1Å; Y118-M121 HydrophobicContact CD1-CE 4.39Å; Y118-M121 HydrophobicContact CD1-CG 4.29Å; Y118-M121 HydrophobicContact CE1-CB 4.44Å; Y118-M121 HydrophobicContact CE1-CE 3.84Å; Y118-M121 HydrophobicContact CE1-CG 3.68Å; Y118-M121 HydrophobicContact CE1-SD 4.42Å; Y118-M121 HydrophobicContact CE2-CG 4.27Å; Y118-M121 PolarHBondContact O-N 2.88Å; Y118-I122 PolarHBondContact O-N 3.23Å; Y118-L231 HydrophobicContact CD1-CD1 4Å; Y118-L231 HydrophobicContact CD2-CD1 4.35Å; Y118-L231 HydrophobicContact CD2-CD2 4.46Å; Y118-L231 HydrophobicContact CE1-CD1 3.7Å; Y118-L231 HydrophobicContact CE1-CG 4.32Å; Y118-L231 HydrophobicContact CE2-CD1 4.07Å; Y118-L231 HydrophobicContact CE2-CD2 3.98Å; Y118-L231 HydrophobicContact CE2-CG 4.11Å; Y118-L231 HydrophobicContact CG-CD1 4.32Å | ||
| 119 | T | 64.3 | Low | 66.1 | Low | 31 Ų | 31 | 68.4 Ų | 68.4 | 19% | 0.19 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -50 | -41.4 | -166.1 | -42.6 | 0 | 0 | 0 | 0 | 115 | M121 T123 A436 F437 | T119-M121 VanDerWaalsContact C-N 3.34Å; T119-M121 PolarHBondContact O-N 3Å; T119-T123 PolarHBondContact O-OG1 3.44Å; T119-A436 HydrophobicContact CG2-CB 3.8Å; T119-F437 VanDerWaalsContact CB-O 3.29Å; T119-F437 WeakPolarHBondContact CB-O 3.42Å; T119-F437 PolarHBondContact OG1-N 3.21Å; T119-F437 PolarHBondContact OG1-O 3.22Å |
| 120 | D | 61.8 | Low | 64.5 | Low | 35 Ų | 35 | 69.8 Ų | 69.8 | 19% | 0.187 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 179 | -100 | -30.2 | 0 | 0 | 0 | 112.3 | Y118 T123 R237 N438 | Y118-D120 VanDerWaalsContact C-N 3.31Å; Y118-D120 HydrophobicContact CD2-CB 3.97Å; Y118-D120 HydrophobicContact CE2-CB 3.61Å; Y118-D120 PolarHBondContact O-N 3.37Å; Y118-D120 VanDerWaalsContact O-N 3.1Å; D120-T123 PolarHBondContact O-N 2.91Å; D120-T123 PolarHBondContact O-OG1 2.96Å; D120-R237 IonicContact OD2-CZ 3.28Å; D120-R237 IonicContact OD2-NH1 3.82Å; D120-R237 PolarHBondContact OD2-NH1 3.45Å; D120-R237 IonicContact OD2-NH2 3.11Å; D120-N438 PolarHBondContact OD1-ND2 3.34Å; D120-N438 PolarHBondContact OD2-ND2 3.33Å |
| 121 | M | 50.5 | Low | 63.3 | Low | 43 Ų | 43 | 71.2 Ų | 71.2 | 21% | 0.212 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -76.7 | -27.2 | -177.2 | -77.7 | -129.2 | -81 | 0 | 0 | 114.5 | Y118 T119 T123 T124 L224 | Y118-M121 HydrophobicContact CD1-CE 4.39Å; Y118-M121 HydrophobicContact CD1-CG 4.29Å; Y118-M121 HydrophobicContact CE1-CB 4.44Å; Y118-M121 HydrophobicContact CE1-CE 3.84Å; Y118-M121 HydrophobicContact CE1-CG 3.68Å; Y118-M121 HydrophobicContact CE1-SD 4.42Å; Y118-M121 HydrophobicContact CE2-CG 4.27Å; Y118-M121 PolarHBondContact O-N 2.88Å; T119-M121 VanDerWaalsContact C-N 3.34Å; T119-M121 PolarHBondContact O-N 3Å; M121-T123 PolarHBondContact O-N 3.41Å; M121-T124 PolarHBondContact O-OG1 3.13Å; M121-L224 HydrophobicContact CE-CD1 4.01Å |
| 122 | I | 49.6 | Very low | 62.8 | Low | 77 Ų | 77 | 66.8 Ų | 66.8 | 40% | 0.395 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.7 | -31.5 | 175.3 | -63.2 | 174.1 | 0 | 0 | 0 | 110.3 | I117 Y118 S125 | I117-I122 HydrophobicContact CG2-CB 4.45Å; I117-I122 HydrophobicContact CG2-CD1 3.6Å; I117-I122 HydrophobicContact CG2-CG1 3.08Å; Y118-I122 PolarHBondContact O-N 3.23Å; I122-S125 PolarHBondContact O-OG 3.43Å |
| 123 | T | 49.7 | Very low | 62.5 | Low | 37 Ų | 37 | 61.5 Ų | 61.5 | 23% | 0.227 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -93.6 | -14.9 | -168 | 19.3 | 0 | 0 | 0 | 0 | 114.7 | T119 D120 M121 S125 S130 | T119-T123 PolarHBondContact O-OG1 3.44Å; D120-T123 PolarHBondContact O-N 2.91Å; D120-T123 PolarHBondContact O-OG1 2.96Å; M121-T123 PolarHBondContact O-N 3.41Å; T123-S125 PolarHBondContact O-N 2.94Å; T123-S130 VanDerWaalsContact CB-CB 3.47Å; T123-S130 WeakPolarHBondContact CB-OG 3.39Å; T123-S130 WeakPolarHBondContact O-CB 3.31Å; T123-S130 PolarHBondContact O-OG 3.33Å |
| 124 | T | 43.7 | Very low | 62.2 | Low | 105 Ų | 105 | 66.2 Ų | 66.2 | 64% | 0.644 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -4.2 | -178.9 | 44.7 | 0 | 0 | 0 | 0 | 114.7 | M121 | M121-T124 PolarHBondContact O-OG1 3.13Š|
| 125 | S | 40.9 | Very low | 61.3 | Low | 96 Ų | 96 | 68.2 Ų | 68.2 | 67% | 0.671 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -7.7 | -174 | 52.6 | 0 | 0 | 0 | 0 | 115.8 | I122 T123 | I122-S125 PolarHBondContact O-OG 3.43Å; T123-S125 PolarHBondContact O-N 2.94Å |
| 126 | T | 38.3 | Very low | 60.1 | Low | 124 Ų | 124 | 66.7 Ų | 66.7 | 76% | 0.761 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -150.5 | -6.5 | 177 | 17.3 | 0 | 0 | 0 | 0 | 120.3 | ||
| 127 | D | 42.7 | Very low | 58.5 | Low | 125 Ų | 125 | 73 Ų | 73 | 67% | 0.668 | 42% | 0.415 | S | S | * | . | trans | -164.6 | 134.6 | 174.2 | -105.4 | -36.1 | 0 | 0 | 0 | 113.3 | K129 S130 | D127-K129 PolarHBondContact O-N 3.38Å; D127-S130 VanDerWaalsContact O-CB 3.28Å; D127-S130 WeakPolarHBondContact O-CB 3.47Å; D127-S130 PolarHBondContact O-N 3Å; D127-S130 PolarHBondContact O-OG 3.46Å | ||
| 128 | N | 46.1 | Very low | 57.2 | Low | 153 Ų | 153 | 75.2 Ų | 75.2 | 82% | 0.818 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 2.8 | -179.4 | -84.6 | -22.8 | 0 | 0 | 0 | 116 | ||
| 129 | K | 51.2 | Low | 55.7 | Low | 144 Ų | 144 | 79.5 Ų | 79.5 | 63% | 0.626 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 3.7 | -178.2 | -65.3 | -179 | 179.9 | 174.7 | 0 | 113.9 | D127 | D127-K129 PolarHBondContact O-N 3.38Š|
| 130 | S | 58 | Low | 54.8 | Low | 29 Ų | 29 | 85.1 Ų | 85.1 | 20% | 0.203 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 129.7 | -168.3 | 62.2 | 0 | 0 | 0 | 0 | 112.8 | T123 D127 | T123-S130 VanDerWaalsContact CB-CB 3.47Å; T123-S130 WeakPolarHBondContact CB-OG 3.39Å; T123-S130 WeakPolarHBondContact O-CB 3.31Å; T123-S130 PolarHBondContact O-OG 3.33Å; D127-S130 VanDerWaalsContact O-CB 3.28Å; D127-S130 WeakPolarHBondContact O-CB 3.47Å; D127-S130 PolarHBondContact O-N 3Å; D127-S130 PolarHBondContact O-OG 3.46Å |
| 131 | G | 67.7 | Low | 54.2 | Low | 30 Ų | 30 | 89.3 Ų | 89.3 | 31% | 0.309 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 103.6 | -11.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | C452 | G131-C452 WeakPolarHBondContact O-CB 3.48Å; G131-C452 PolarHBondContact O-N 2.97Å; G131-C452 VanDerWaalsContact O-N 3.13Å |
| 132 | L | 80.3 | Confident | 54.1 | Low | 18 Ų | 18 | 92.5 Ų | 92.5 | 9% | 0.094 | 53% | 0.534 | C | S | . | . | S | Bend | trans | -92.2 | 167.6 | 172.3 | -64.3 | 169.2 | 0 | 0 | 0 | 110.8 | F134 P451 C456 K459 F470 | L132-F134 PolarHBondContact O-N 3.26Å; L132-P451 HydrophobicContact CD2-CB 4Å; L132-C456 WeakPolarHBondContact CB-O 3.32Å; L132-C456 HydrophobicContact CD2-CB 4.02Å; L132-K459 HydrophobicContact CD1-CB 4.29Å; L132-K459 HydrophobicContact CD1-CD 4.48Å; L132-K459 HydrophobicContact CD1-CG 4.17Å; L132-K459 HydrophobicContact CD2-CB 4.42Å; L132-F470 HydrophobicContact CD2-CD1 3.74Å; L132-F470 HydrophobicContact CD2-CE1 4.09Å |
| 133 | C | 82.2 | Confident | 54.5 | Low | 5 Ų | 5 | 91.3 Ų | 91.3 | 3% | 0.034 | 53% | 0.531 | C | S | . | . | trans | -68.7 | 122.4 | 175.7 | 171.7 | 0 | 0 | 0 | 0 | 110.9 | C430 C456 L457 | C133-C430 HydrophobicContact CB-CB 3.68Å; C133-C430 WeakPolarHBondContact CB-SG 3.29Å; C133-C430 WeakPolarHBondContact SG-CB 3.36Å; C133-C430 CovalentContact SG-SG 2.02Å; C133-C430 PolarHBondContact SG-SG 3.33Å; C133-C456 WeakPolarHBondContact CB-O 3.45Å; C133-C456 PolarHBondContact N-O 3.06Å; C133-L457 HydrophobicContact CB-CD2 4.36Å; C133-L457 WeakPolarHBondContact O-CD2 3.44Å | ||
| 134 | F | 78.3 | Confident | 54.7 | Low | 109 Ų | 109 | 96.3 Ų | 96.3 | 48% | 0.478 | 55% | 0.552 | S | S | . | * | trans | -124.4 | 143.3 | 174.5 | -159.4 | -100 | 0 | 0 | 0 | 111.4 | L132 S136 C430 | L132-F134 PolarHBondContact O-N 3.26Å; F134-S136 WeakPolarHBondContact CD1-OG 3.48Å; F134-S136 WeakPolarHBondContact CE1-OG 3.2Å; F134-C430 CarbonylContact O-C 3.54Å; F134-C430 VanDerWaalsContact O-C 3.26Å; F134-C430 VanDerWaalsContact O-CA 3.28Å; F134-C430 WeakPolarHBondContact O-CA 3.32Å; F134-C430 VanDerWaalsContact O-O 3.13Å | ||
| 135 | S | 63.6 | Low | 55.1 | Low | 88 Ų | 88 | 99 Ų | 99 | 62% | 0.615 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -88.7 | 1.7 | -174.7 | -58.4 | 0 | 0 | 0 | 0 | 115 | ||
| 136 | S | 57.5 | Low | 55.4 | Low | 67 Ų | 67 | 102.8 Ų | 102.8 | 47% | 0.469 | 56% | 0.559 | S | S | . | * | S | Bend | trans | -111.2 | 136 | 169.7 | 84.3 | 0 | 0 | 0 | 0 | 111 | F134 P138 | F134-S136 WeakPolarHBondContact CD1-OG 3.48Å; F134-S136 WeakPolarHBondContact CE1-OG 3.2Å; S136-P138 WeakPolarHBondContact O-CD 3.38Å |
| 137 | L | 50.3 | Low | 56.1 | Low | 156 Ų | 156 | 100.9 Ų | 100.9 | 82% | 0.817 | 55% | 0.545 | S | S | * | . | trans | -58 | 118.1 | 173.9 | -117.6 | 72.8 | 0 | 0 | 0 | 109.9 | S139 | L137-S139 PolarHBondContact O-N 3.05Š| ||
| 138 | P | 50 | Low | 56.6 | Low | 95 Ų | 95 | 96.2 Ų | 96.2 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | trans | -72.2 | 130.2 | 164.7 | -10.3 | 28.1 | 0 | 0 | 0 | 108.8 | S136 | S136-P138 WeakPolarHBondContact O-CD 3.38Š| ||
| 139 | S | 43 | Very low | 57 | Low | 102 Ų | 102 | 94.3 Ų | 94.3 | 71% | 0.713 | 51% | 0.511 | S | S | * | . | trans | -34.7 | 141.4 | 171.5 | 164.6 | 0 | 0 | 0 | 0 | 114.8 | L137 Q141 | L137-S139 PolarHBondContact O-N 3.05Å; S139-Q141 PolarHBondContact O-N 3.41Å | ||
| 140 | N | 45 | Very low | 57.3 | Low | 149 Ų | 149 | 90.6 Ų | 90.6 | 80% | 0.797 | 50% | 0.501 | S | S | * | . | trans | -6 | 87.5 | 157.6 | -79.5 | -20.2 | 0 | 0 | 0 | 113.8 | T142 | N140-T142 PolarHBondContact O-N 3.25Š| ||
| 141 | Q | 49.8 | Very low | 57.5 | Low | 124 Ų | 124 | 92.6 Ų | 92.6 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | trans | -68.1 | 94 | 162.9 | -86.1 | -177.5 | -2.9 | 0 | 0 | 106.8 | S139 C143 | S139-Q141 PolarHBondContact O-N 3.41Å; Q141-C143 VanDerWaalsContact C-N 3.35Å; Q141-C143 PolarHBondContact O-N 2.72Å | ||
| 142 | T | 48.5 | Very low | 57.6 | Low | 110 Ų | 110 | 98.1 Ų | 98.1 | 68% | 0.675 | 52% | 0.518 | S | S | * | . | trans | -62.4 | 103.8 | 161.8 | 46.4 | 0 | 0 | 0 | 0 | 106.5 | N140 H144 | N140-T142 PolarHBondContact O-N 3.25Å; T142-H144 PolarHBondContact O-N 3.18Å | ||
| 143 | C | 58.3 | Low | 57.7 | Low | 51 Ų | 51 | 100.2 Ų | 100.2 | 35% | 0.345 | 54% | 0.539 | S | S | . | . | trans | -50.1 | 117.6 | 165.9 | 157.6 | 0 | 0 | 0 | 0 | 107.4 | Q141 K145 C568 | Q141-C143 VanDerWaalsContact C-N 3.35Å; Q141-C143 PolarHBondContact O-N 2.72Å; C143-K145 VanDerWaalsContact C-N 3.25Å; C143-K145 PolarHBondContact O-N 2.67Å; C143-C568 HydrophobicContact CB-CB 3.77Å; C143-C568 WeakPolarHBondContact CB-SG 3.46Å; C143-C568 WeakPolarHBondContact SG-CB 3.2Å; C143-C568 CovalentContact SG-SG 2Å; C143-C568 PolarHBondContact SG-SG 2.86Å | ||
| 144 | H | 54.2 | Low | 58.1 | Low | 143 Ų | 143 | 100.2 Ų | 100.2 | 66% | 0.662 | 54% | 0.539 | S | S | * | . | trans | -67.2 | 90.4 | 172.1 | -85.3 | -73 | 0 | 0 | 0 | 108.3 | T142 K146 D147 | T142-H144 PolarHBondContact O-N 3.18Å; H144-K146 PolarHBondContact O-N 3.09Å; H144-D147 PolarHBondContact O-N 3.16Å; H144-D147 VanDerWaalsContact O-N 3.15Å | ||
| 145 | K | 50.9 | Low | 58.7 | Low | 162 Ų | 162 | 97.1 Ų | 97.1 | 70% | 0.704 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -48.3 | -22.1 | 173.3 | -90.8 | -179.7 | 172.9 | 177.5 | 0 | 113.7 | C143 D147 S148 D149 | C143-K145 VanDerWaalsContact C-N 3.25Å; C143-K145 PolarHBondContact O-N 2.67Å; K145-D147 VanDerWaalsContact C-N 3.28Å; K145-D147 PolarHBondContact O-N 3.08Å; K145-S148 WeakPolarHBondContact O-CB 3.3Å; K145-S148 PolarHBondContact O-N 3.27Å; K145-S148 PolarHBondContact O-OG 3.48Å; K145-D149 PolarHBondContact O-N 2.86Å |
| 146 | K | 48 | Very low | 60.2 | Low | 174 Ų | 174 | 96.4 Ų | 96.4 | 76% | 0.757 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.1 | -31.9 | -180 | -142.7 | 171.4 | -174.2 | 178.2 | 0 | 113.5 | H144 | H144-K146 PolarHBondContact O-N 3.09Å |
| 147 | D | 52.3 | Low | 61.9 | Low | 85 Ų | 85 | 94.9 Ų | 94.9 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -77.7 | -25.7 | 173.6 | -75.9 | -22 | 0 | 0 | 0 | 112.3 | H144 K145 T150 Q151 | H144-D147 PolarHBondContact O-N 3.16Å; H144-D147 VanDerWaalsContact O-N 3.15Å; K145-D147 VanDerWaalsContact C-N 3.28Å; K145-D147 PolarHBondContact O-N 3.08Å; D147-T150 PolarHBondContact O-OG1 2.94Å; D147-Q151 WeakPolarHBondContact O-CG 3.08Å; D147-Q151 PolarHBondContact O-N 3.2Å |
| 148 | S | 53.3 | Low | 64 | Low | 26 Ų | 26 | 87.4 Ų | 87.4 | 18% | 0.182 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -71.2 | -39.4 | 178.6 | 78.1 | 0 | 0 | 0 | 0 | 112.1 | K145 T150 Q151 W152 | K145-S148 WeakPolarHBondContact O-CB 3.3Å; K145-S148 PolarHBondContact O-N 3.27Å; K145-S148 PolarHBondContact O-OG 3.48Å; S148-T150 VanDerWaalsContact C-N 3.35Å; S148-T150 PolarHBondContact O-N 3.28Å; S148-Q151 WeakPolarHBondContact O-CB 3.32Å; S148-Q151 PolarHBondContact O-N 2.95Å; S148-Q151 VanDerWaalsContact O-N 3.15Å; S148-W152 PolarHBondContact O-N 3.43Å; S148-W152 VanDerWaalsContact O-N 3.09Å |
| 149 | D | 54 | Low | 66.2 | Low | 114 Ų | 114 | 84.2 Ų | 84.2 | 61% | 0.61 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -65 | -36.5 | -176.4 | -68.9 | -23.6 | 0 | 0 | 0 | 112.7 | K145 | K145-D149 PolarHBondContact O-N 2.86Å |
| 150 | T | 58.2 | Low | 68.8 | Low | 66 Ų | 66 | 83.2 Ų | 83.2 | 41% | 0.405 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -72.7 | -35 | 174.3 | 37.7 | 0 | 0 | 0 | 0 | 112.1 | D147 S148 A153 V154 | D147-T150 PolarHBondContact O-OG1 2.94Å; S148-T150 VanDerWaalsContact C-N 3.35Å; S148-T150 PolarHBondContact O-N 3.28Å; T150-A153 PolarHBondContact O-N 3.47Å; T150-V154 WeakPolarHBondContact O-CG2 3.34Å |
| 151 | Q | 63 | Low | 71.2 | Confident | 70 Ų | 70 | 76.1 Ų | 76.1 | 33% | 0.327 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.4 | -35.1 | 177.3 | -64.6 | -101.3 | -40 | 0 | 0 | 112.5 | D147 S148 A153 V154 | D147-Q151 WeakPolarHBondContact O-CG 3.08Å; D147-Q151 PolarHBondContact O-N 3.2Å; S148-Q151 WeakPolarHBondContact O-CB 3.32Å; S148-Q151 PolarHBondContact O-N 2.95Å; S148-Q151 VanDerWaalsContact O-N 3.15Å; Q151-A153 VanDerWaalsContact C-N 3.31Å; Q151-A153 PolarHBondContact O-N 3.34Å; Q151-V154 PolarHBondContact O-N 2.97Å |
| 152 | W | 69.4 | Low | 73.4 | Confident | 146 Ų | 146 | 70.3 Ų | 70.3 | 55% | 0.553 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -63.8 | -32.8 | 177.1 | -75.4 | 109.4 | 0 | 0 | 0 | 113.4 | S148 P156 | S148-W152 PolarHBondContact O-N 3.43Å; S148-W152 VanDerWaalsContact O-N 3.09Å; W152-P156 WeakPolarHBondContact O-CD 3.37Å |
| 153 | A | 82.6 | Confident | 75.7 | Confident | 63 Ų | 63 | 67.4 Ų | 67.4 | 52% | 0.521 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -76.8 | -21.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T150 Q151 P156 L157 | T150-A153 PolarHBondContact O-N 3.47Å; Q151-A153 VanDerWaalsContact C-N 3.31Å; Q151-A153 PolarHBondContact O-N 3.34Å; A153-P156 WeakPolarHBondContact O-CD 3.45Å; A153-L157 WeakPolarHBondContact O-CB 3.46Å; A153-L157 PolarHBondContact O-N 2.88Å |
| 154 | V | 89.8 | Confident | 77.5 | Confident | 5 Ų | 5 | 67 Ų | 67 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.6 | -45.2 | -175.8 | 170.7 | 0 | 0 | 0 | 0 | 112.3 | Y54 P109 T150 Q151 L157 L158 | Y54-V154 HydrophobicContact CD1-CB 4.17Å; Y54-V154 HydrophobicContact CD1-CG1 3.85Å; Y54-V154 HydrophobicContact CD1-CG2 4.07Å; Y54-V154 HydrophobicContact CD2-CG1 3.88Å; Y54-V154 HydrophobicContact CE1-CB 4.18Å; Y54-V154 HydrophobicContact CE1-CG1 3.82Å; Y54-V154 HydrophobicContact CE1-CG2 3.68Å; Y54-V154 HydrophobicContact CE2-CG1 3.82Å; Y54-V154 HydrophobicContact CG-CG1 3.89Å; P109-V154 HydrophobicContact CB-CB 4.41Å; P109-V154 HydrophobicContact CB-CG1 3.7Å; P109-V154 HydrophobicContact CB-CG2 4.07Å; P109-V154 HydrophobicContact CG-CG1 4.13Å; T150-V154 WeakPolarHBondContact O-CG2 3.34Å; Q151-V154 PolarHBondContact O-N 2.97Å; V154-L157 WeakPolarHBondContact O-CB 3.36Å; V154-L157 PolarHBondContact O-N 2.8Å; V154-L158 HydrophobicContact CG1-CD1 3.73Å; V154-L158 HydrophobicContact CG1-CG 4.15Å; V154-L158 WeakPolarHBondContact O-CG 3.17Å; V154-L158 PolarHBondContact O-N 3.06Å |
| 155 | Y | 91.8 | Very high | 79.5 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 17% | 0.169 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.6 | -47.3 | -176 | -176.8 | -107.4 | 0 | 0 | 0 | 112.9 | L56 K60 L64 L157 L158 L159 | L56-Y155 HydrophobicContact CD1-CD2 3.9Å; L56-Y155 HydrophobicContact CD1-CE2 4.32Å; L56-Y155 HydrophobicContact CD2-CD2 3.84Å; L56-Y155 HydrophobicContact CD2-CG 4.34Å; K60-Y155 HydrophobicContact CB-CE2 3.97Å; K60-Y155 PolarHBondContact O-OH 3.3Å; L64-Y155 HydrophobicContact CB-CE2 4.16Å; Y155-L157 VanDerWaalsContact C-N 3.29Å; Y155-L157 PolarHBondContact O-N 3.08Å; Y155-L158 PolarHBondContact O-N 3.24Å; Y155-L159 HydrophobicContact CD1-CD1 3.94Å; Y155-L159 HydrophobicContact CE1-CD1 3.53Å; Y155-L159 HydrophobicContact CE1-CG 4.25Å; Y155-L159 WeakPolarHBondContact O-CG 3.44Å; Y155-L159 PolarHBondContact O-N 3.16Å |
| 156 | P | 93.7 | Very high | 81.6 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 47% | 0.474 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.8 | -37.6 | 170.5 | -25.1 | 34.5 | 0 | 0 | 0 | 113.7 | W152 A153 L159 L160 | W152-P156 WeakPolarHBondContact O-CD 3.37Å; A153-P156 WeakPolarHBondContact O-CD 3.45Å; P156-L159 PolarHBondContact O-N 3.45Å; P156-L160 WeakPolarHBondContact O-CB 3.41Å; P156-L160 PolarHBondContact O-N 3.29Å |
| 157 | L | 94.3 | Very high | 83.8 | Confident | 35 Ų | 35 | 46.8 Ų | 46.8 | 18% | 0.183 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.1 | -43.5 | 178.3 | -175.6 | 60.7 | 0 | 0 | 0 | 112 | L105 V108 P109 L112 A153 V154 Y155 L160 G161 | L105-L157 HydrophobicContact CD1-CD1 3.55Å; L105-L157 HydrophobicContact CD1-CG 4.49Å; L105-L157 HydrophobicContact CD2-CD1 4.25Å; L105-L157 HydrophobicContact CG-CD1 3.84Å; V108-L157 HydrophobicContact CB-CD2 4.31Å; V108-L157 HydrophobicContact CG1-CD2 4Å; P109-L157 HydrophobicContact CG-CD2 3.89Å; P109-L157 HydrophobicContact CG-CG 4.36Å; L112-L157 HydrophobicContact CD1-CD2 4.06Å; A153-L157 WeakPolarHBondContact O-CB 3.46Å; A153-L157 PolarHBondContact O-N 2.88Å; V154-L157 WeakPolarHBondContact O-CB 3.36Å; V154-L157 PolarHBondContact O-N 2.8Å; Y155-L157 VanDerWaalsContact C-N 3.29Å; Y155-L157 PolarHBondContact O-N 3.08Å; L157-L160 PolarHBondContact O-N 2.92Å; L157-G161 PolarHBondContact O-N 3.34Å |
| 158 | L | 95.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -40.3 | 174.4 | -68.5 | 170.9 | 0 | 0 | 0 | 111.5 | I50 L64 M106 P109 V154 Y155 G161 Q162 | I50-L158 HydrophobicContact CG2-CD1 3.96Å; L64-L158 HydrophobicContact CD1-CB 3.63Å; L64-L158 HydrophobicContact CD2-CB 4.06Å; L64-L158 HydrophobicContact CD2-CD1 4.03Å; M106-L158 HydrophobicContact CE-CB 4.38Å; M106-L158 HydrophobicContact CE-CD2 3.48Å; M106-L158 VanDerWaalsContact CE-CD2 3.48Å; M106-L158 HydrophobicContact SD-CB 4.38Å; M106-L158 HydrophobicContact SD-CD2 3.95Å; P109-L158 HydrophobicContact CG-CD2 3.86Å; P109-L158 HydrophobicContact CG-CG 4.13Å; V154-L158 HydrophobicContact CG1-CD1 3.73Å; V154-L158 HydrophobicContact CG1-CG 4.15Å; V154-L158 WeakPolarHBondContact O-CG 3.17Å; V154-L158 PolarHBondContact O-N 3.06Å; Y155-L158 PolarHBondContact O-N 3.24Å; L158-G161 PolarHBondContact O-N 3.45Å; L158-Q162 WeakPolarHBondContact O-CG 3.21Å; L158-Q162 PolarHBondContact O-N 3.08Å |
| 159 | L | 96.1 | Very high | 87.6 | Confident | 28 Ų | 28 | 42 Ų | 42 | 15% | 0.147 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 174.2 | -73.1 | 174.4 | 0 | 0 | 0 | 111.7 | I63 L64 F67 Y155 P156 G161 Q162 L163 | I63-L159 HydrophobicContact CG2-CD2 4.29Å; L64-L159 HydrophobicContact CB-CD2 4.34Å; L64-L159 HydrophobicContact CD1-CD2 3.91Å; L64-L159 HydrophobicContact CD1-CG 4.26Å; F67-L159 HydrophobicContact CB-CD2 3.88Å; F67-L159 HydrophobicContact CD1-CB 4.03Å; F67-L159 HydrophobicContact CD1-CD2 3.9Å; F67-L159 WeakPolarHBondContact CD1-O 3.34Å; F67-L159 HydrophobicContact CD2-CD2 3.93Å; F67-L159 HydrophobicContact CE1-CB 4Å; F67-L159 HydrophobicContact CE1-CD2 4.37Å; F67-L159 HydrophobicContact CE2-CD2 4.43Å; F67-L159 HydrophobicContact CG-CD2 3.64Å; Y155-L159 HydrophobicContact CD1-CD1 3.94Å; Y155-L159 HydrophobicContact CE1-CD1 3.53Å; Y155-L159 HydrophobicContact CE1-CG 4.25Å; Y155-L159 WeakPolarHBondContact O-CG 3.44Å; Y155-L159 PolarHBondContact O-N 3.16Å; P156-L159 PolarHBondContact O-N 3.45Å; L159-G161 VanDerWaalsContact C-N 3.31Å; L159-G161 PolarHBondContact O-N 3.08Å; L159-Q162 PolarHBondContact O-N 2.96Å; L159-L163 WeakPolarHBondContact O-CB 3.19Å; L159-L163 PolarHBondContact O-N 3.2Å |
| 160 | L | 96.2 | Very high | 89.4 | Confident | 81 Ų | 81 | 36.7 Ų | 36.7 | 42% | 0.424 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 175.5 | -179.2 | 60.8 | 0 | 0 | 0 | 111.3 | L105 P156 L157 L163 L164 | L105-L160 HydrophobicContact CD2-CB 4.37Å; L105-L160 HydrophobicContact CD2-CD2 4.04Å; L105-L160 HydrophobicContact CD2-CG 3.92Å; P156-L160 WeakPolarHBondContact O-CB 3.41Å; P156-L160 PolarHBondContact O-N 3.29Å; L157-L160 PolarHBondContact O-N 2.92Å; L160-L163 PolarHBondContact O-N 3.27Å; L160-L164 HydrophobicContact CD1-CD1 4.29Å; L160-L164 HydrophobicContact CD1-CG 4.21Å; L160-L164 HydrophobicContact CG-CD1 4.2Å; L160-L164 VanDerWaalsContact O-CG 3.32Å; L160-L164 WeakPolarHBondContact O-CG 3.28Å; L160-L164 PolarHBondContact O-N 3.42Å |
| 161 | G | 96.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57 | -48.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | A102 L157 L158 L159 L163 L164 L165 | A102-G161 WeakPolarHBondContact CB-O 3.45Å; L157-G161 PolarHBondContact O-N 3.34Å; L158-G161 PolarHBondContact O-N 3.45Å; L159-G161 VanDerWaalsContact C-N 3.31Å; L159-G161 PolarHBondContact O-N 3.08Å; G161-L163 PolarHBondContact O-N 3.1Å; G161-L164 PolarHBondContact O-N 2.79Å; G161-L165 WeakPolarHBondContact O-CB 3.36Å; G161-L165 PolarHBondContact O-N 3.22Å |
| 162 | Q | 96.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 30.9 Ų | 30.9 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -39.6 | 177.9 | -70.6 | -64.5 | -30.3 | 0 | 0 | 112.9 | M43 L64 F67 N68 M106 L158 L159 L165 G166 | M43-Q162 VanDerWaalsContact CG-NE2 3.31Å; L64-Q162 HydrophobicContact CD1-CG 3.76Å; L64-Q162 WeakPolarHBondContact O-CG 3.44Å; F67-Q162 HydrophobicContact CB-CB 3.96Å; F67-Q162 HydrophobicContact CD1-CB 4.46Å; N68-Q162 WeakPolarHBondContact CA-O 3.27Å; N68-Q162 WeakPolarHBondContact CB-O 3.38Å; M106-Q162 HydrophobicContact CE-CG 4.36Å; M106-Q162 HydrophobicContact SD-CG 4.07Å; L158-Q162 WeakPolarHBondContact O-CG 3.21Å; L158-Q162 PolarHBondContact O-N 3.08Å; L159-Q162 PolarHBondContact O-N 2.96Å; Q162-L165 PolarHBondContact O-N 3.42Å; Q162-G166 PolarHBondContact O-N 3.39Å |
| 163 | L | 95.9 | Very high | 93.2 | Very high | 49 Ų | 49 | 27.2 Ų | 27.2 | 26% | 0.257 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -61.4 | -50.6 | 176.3 | -177.7 | 64.8 | 0 | 0 | 0 | 111.5 | F67 L159 L160 G161 L165 G166 I167 | F67-L163 HydrophobicContact CD1-CB 3.91Å; F67-L163 HydrophobicContact CE1-CB 3.79Å; F67-L163 HydrophobicContact CE1-CD1 4.31Å; F67-L163 HydrophobicContact CE1-CD2 4.41Å; F67-L163 HydrophobicContact CE1-CG 4.39Å; L159-L163 WeakPolarHBondContact O-CB 3.19Å; L159-L163 PolarHBondContact O-N 3.2Å; L160-L163 PolarHBondContact O-N 3.27Å; G161-L163 PolarHBondContact O-N 3.1Å; L163-L165 VanDerWaalsContact C-N 3.3Å; L163-L165 PolarHBondContact O-N 3.4Å; L163-G166 WeakPolarHBondContact O-CA 3.45Å; L163-G166 PolarHBondContact O-N 3.49Å; L163-G166 VanDerWaalsContact O-N 3.13Å; L163-I167 HydrophobicContact CG-CD1 4.14Å; L163-I167 WeakPolarHBondContact O-CG1 3.15Å; L163-I167 PolarHBondContact O-N 3.34Å |
| 164 | L | 96.5 | Very high | 93.4 | Very high | 42 Ų | 42 | 26.1 Ų | 26.1 | 22% | 0.22 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.2 | -36.9 | 178.5 | -67.6 | 177.5 | 0 | 0 | 0 | 111.8 | L98 A102 L105 L160 G161 G166 I167 G168 | L98-L164 HydrophobicContact CD1-CD2 4.35Å; A102-L164 HydrophobicContact CB-CB 3.69Å; L105-L164 HydrophobicContact CD2-CD1 3.97Å; L160-L164 HydrophobicContact CD1-CD1 4.29Å; L160-L164 HydrophobicContact CD1-CG 4.21Å; L160-L164 HydrophobicContact CG-CD1 4.2Å; L160-L164 VanDerWaalsContact O-CG 3.32Å; L160-L164 WeakPolarHBondContact O-CG 3.28Å; L160-L164 PolarHBondContact O-N 3.42Å; G161-L164 PolarHBondContact O-N 2.79Å; L164-G166 VanDerWaalsContact C-N 3.33Å; L164-I167 HydrophobicContact CD2-CD1 4.43Å; L164-I167 PolarHBondContact O-N 2.78Å; L164-G168 PolarHBondContact O-N 3.4Å |
| 165 | L | 95.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.01 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 173.5 | -176.4 | 66.1 | 0 | 0 | 0 | 111 | V39 A99 A102 G161 Q162 L163 G168 A169 | V39-L165 HydrophobicContact CG1-CD1 4.15Å; V39-L165 HydrophobicContact CG1-CD2 3.7Å; A99-L165 HydrophobicContact CB-CD1 3.86Å; A102-L165 HydrophobicContact CB-CB 3.89Å; A102-L165 VanDerWaalsContact CB-N 3.32Å; G161-L165 WeakPolarHBondContact O-CB 3.36Å; G161-L165 PolarHBondContact O-N 3.22Å; Q162-L165 PolarHBondContact O-N 3.42Å; L163-L165 VanDerWaalsContact C-N 3.3Å; L163-L165 PolarHBondContact O-N 3.4Å; L165-G168 PolarHBondContact O-N 3.07Å; L165-A169 VanDerWaalsContact O-CB 3.3Å; L165-A169 WeakPolarHBondContact O-CB 3.5Å; L165-A169 PolarHBondContact O-N 3.49Å |
| 166 | G | 94.1 | Very high | 93.4 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.2 | -46.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N68 Q162 L163 L164 A169 V170 | N68-G166 WeakPolarHBondContact O-CA 3.41Å; Q162-G166 PolarHBondContact O-N 3.39Å; L163-G166 WeakPolarHBondContact O-CA 3.45Å; L163-G166 PolarHBondContact O-N 3.49Å; L163-G166 VanDerWaalsContact O-N 3.13Å; L164-G166 VanDerWaalsContact C-N 3.33Å; G166-A169 PolarHBondContact O-N 3.36Å; G166-V170 WeakPolarHBondContact O-CG2 3.48Å; G166-V170 PolarHBondContact O-N 3.09Å |
| 167 | I | 94.5 | Very high | 93 | Very high | 51 Ų | 51 | 23.6 Ų | 23.6 | 26% | 0.262 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -62.7 | -47.3 | 176.9 | -67 | 172 | 0 | 0 | 0 | 111 | L75 L98 L163 L164 A169 V170 | L75-I167 HydrophobicContact CD1-CB 3.96Å; L75-I167 HydrophobicContact CD1-CD1 4.5Å; L75-I167 HydrophobicContact CD1-CG1 3.72Å; L75-I167 HydrophobicContact CD1-CG2 3.56Å; L98-I167 HydrophobicContact CD2-CB 4.16Å; L98-I167 HydrophobicContact CD2-CG2 3.5Å; L98-I167 VanDerWaalsContact CD2-CG2 3.5Å; L163-I167 HydrophobicContact CG-CD1 4.14Å; L163-I167 WeakPolarHBondContact O-CG1 3.15Å; L163-I167 PolarHBondContact O-N 3.34Å; L164-I167 HydrophobicContact CD2-CD1 4.43Å; L164-I167 PolarHBondContact O-N 2.78Å; I167-A169 VanDerWaalsContact C-N 3.3Å; I167-A169 PolarHBondContact O-N 3.02Å; I167-V170 WeakPolarHBondContact O-CG2 3.41Å; I167-V170 PolarHBondContact O-N 3.42Å |
| 168 | G | 94.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.1 | -30.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G95 L164 L165 P171 | G95-G168 CarbonylContact C-O 3.16Å; G95-G168 WeakPolarHBondContact CA-O 3.33Å; G95-G168 CarbonylContact O-C 3.42Å; G95-G168 VanDerWaalsContact O-CA 3.23Å; G95-G168 WeakPolarHBondContact O-CA 3.24Å; G95-G168 VanDerWaalsContact O-O 3.11Å; L164-G168 PolarHBondContact O-N 3.4Å; L165-G168 PolarHBondContact O-N 3.07Å; G168-P171 WeakPolarHBondContact O-CD 3.3Å |
| 169 | A | 92.3 | Very high | 92.5 | Very high | 11 Ų | 11 | 23.6 Ų | 23.6 | 9% | 0.091 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -75.1 | -22.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q36 L165 G166 I167 I172 | Q36-A169 HydrophobicContact CG-CB 4.18Å; L165-A169 VanDerWaalsContact O-CB 3.3Å; L165-A169 WeakPolarHBondContact O-CB 3.5Å; L165-A169 PolarHBondContact O-N 3.49Å; G166-A169 PolarHBondContact O-N 3.36Å; I167-A169 VanDerWaalsContact C-N 3.3Å; I167-A169 PolarHBondContact O-N 3.02Å; A169-I172 PolarHBondContact O-N 3.05Å |
| 170 | V | 90.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.018 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -50 | -172.8 | -169.6 | 0 | 0 | 0 | 0 | 114.4 | N72 L75 I76 V79 G166 I167 I172 P174 | N72-V170 HydrophobicContact CB-CG2 4.17Å; N72-V170 WeakPolarHBondContact OD1-CG2 3.4Å; L75-V170 HydrophobicContact CB-CB 4.45Å; L75-V170 HydrophobicContact CB-CG1 4.2Å; L75-V170 HydrophobicContact CB-CG2 3.99Å; I76-V170 HydrophobicContact CB-CG1 3.97Å; I76-V170 HydrophobicContact CG1-CG1 4.31Å; V79-V170 HydrophobicContact CB-CG1 3.97Å; V79-V170 HydrophobicContact CG1-CG1 4.41Å; V79-V170 HydrophobicContact CG2-CB 4.27Å; V79-V170 HydrophobicContact CG2-CG1 3.52Å; G166-V170 WeakPolarHBondContact O-CG2 3.48Å; G166-V170 PolarHBondContact O-N 3.09Å; I167-V170 WeakPolarHBondContact O-CG2 3.41Å; I167-V170 PolarHBondContact O-N 3.42Å; V170-I172 VanDerWaalsContact C-N 3.29Å; V170-I172 PolarHBondContact O-N 3.33Å; V170-P174 WeakPolarHBondContact O-CD 3.37Å; V170-P174 WeakPolarHBondContact O-CG 3.46Å |
| 171 | P | 90.8 | Very high | 91.7 | Very high | 13 Ų | 13 | 22.9 Ų | 22.9 | 8% | 0.084 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -18.3 | -177.8 | 29.6 | -36.7 | 0 | 0 | 0 | 113.4 | Y91 G168 F175 | Y91-P171 WeakPolarHBondContact O-CG 3.48Å; G168-P171 WeakPolarHBondContact O-CD 3.3Å; P171-F175 HydrophobicContact CB-CD2 3.69Å; P171-F175 HydrophobicContact CB-CE2 3.83Å; P171-F175 WeakPolarHBondContact O-CB 3.42Å; P171-F175 WeakPolarHBondContact O-CG 3.32Å; P171-F175 PolarHBondContact O-N 3.38Å |
| 172 | I | 92.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.9 | -62.8 | -168.7 | -61.4 | -180 | 0 | 0 | 0 | 110.5 | H29 L32 Q36 I92 A96 A169 V170 G176 | H29-I172 PolarHBondContact CE1-O 3.13Å; L32-I172 HydrophobicContact CD2-CG2 4Å; L32-I172 HydrophobicContact CG-CG2 4.18Å; Q36-I172 HydrophobicContact CB-CD1 4.39Å; Q36-I172 HydrophobicContact CG-CD1 4.13Å; I92-I172 HydrophobicContact CG2-CG1 4.5Å; A96-I172 HydrophobicContact CB-CD1 4.41Å; A169-I172 PolarHBondContact O-N 3.05Å; V170-I172 VanDerWaalsContact C-N 3.29Å; V170-I172 PolarHBondContact O-N 3.33Å; I172-G176 PolarHBondContact O-N 3.28Å; I172-G176 VanDerWaalsContact O-N 3.11Å |
| 173 | Q | 88.1 | Confident | 91 | Very high | 70 Ų | 70 | 27.4 Ų | 27.4 | 33% | 0.327 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -72.3 | -48.1 | -171.7 | -169.2 | 173.6 | 5.9 | 0 | 0 | 113.6 | F175 G176 I177 | Q173-F175 PolarHBondContact O-N 3.08Å; Q173-G176 PolarHBondContact O-N 2.93Å; Q173-I177 HydrophobicContact CG-CD1 3.88Å; Q173-I177 WeakPolarHBondContact O-CG1 3.39Å; Q173-I177 PolarHBondContact O-N 3.27Å |
| 174 | P | 86.8 | Confident | 90.7 | Very high | 40 Ų | 40 | 25.6 Ų | 25.6 | 26% | 0.26 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -64.9 | -41.8 | -178.2 | -20.7 | 34.3 | 0 | 0 | 0 | 113.3 | V79 V170 S178 | V79-P174 HydrophobicContact CG1-CB 4.41Å; V79-P174 HydrophobicContact CG1-CG 4.49Å; V170-P174 WeakPolarHBondContact O-CD 3.37Å; V170-P174 WeakPolarHBondContact O-CG 3.46Å; P174-S178 WeakPolarHBondContact O-CB 3.16Å; P174-S178 PolarHBondContact O-N 3.43Å; P174-S178 VanDerWaalsContact O-N 3.08Å; P174-S178 PolarHBondContact O-OG 2.98Å |
| 175 | F | 89.9 | Confident | 90.3 | Very high | 5 Ų | 5 | 24.1 Ų | 24.1 | 2% | 0.022 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -73.1 | -33.4 | 178.7 | -66.5 | -16.8 | 0 | 0 | 0 | 112.3 | V79 V86 R88 Y91 I92 P171 Q173 S178 Y179 | V79-F175 HydrophobicContact CB-CZ 4.37Å; V79-F175 HydrophobicContact CG1-CD1 4.05Å; V79-F175 HydrophobicContact CG1-CE1 3.44Å; V79-F175 VanDerWaalsContact CG1-CE1 3.44Å; V79-F175 HydrophobicContact CG1-CE2 4.11Å; V79-F175 HydrophobicContact CG1-CZ 3.51Å; V79-F175 VanDerWaalsContact O-CE1 3.28Å; V79-F175 WeakPolarHBondContact O-CE1 3.44Å; V86-F175 HydrophobicContact CG2-CE2 4.06Å; V86-F175 HydrophobicContact CG2-CZ 3.99Å; R88-F175 HydrophobicContact CB-CB 4.09Å; R88-F175 HydrophobicContact CB-CG 4.33Å; R88-F175 HydrophobicContact CG-CB 4.25Å; R88-F175 HydrophobicContact CG-CD1 4.31Å; R88-F175 HydrophobicContact CG-CG 4.15Å; Y91-F175 HydrophobicContact CD1-CE2 4.46Å; Y91-F175 HydrophobicContact CG-CE2 4.19Å; I92-F175 HydrophobicContact CD1-CB 3.76Å; I92-F175 HydrophobicContact CG1-CB 3.7Å; I92-F175 HydrophobicContact CG1-CD2 4.42Å; P171-F175 HydrophobicContact CB-CD2 3.69Å; P171-F175 HydrophobicContact CB-CE2 3.83Å; P171-F175 WeakPolarHBondContact O-CB 3.42Å; P171-F175 WeakPolarHBondContact O-CG 3.32Å; P171-F175 PolarHBondContact O-N 3.38Å; Q173-F175 PolarHBondContact O-N 3.08Å; F175-S178 WeakPolarHBondContact CA-OG 3.48Å; F175-S178 PolarHBondContact O-OG 3.33Å; F175-Y179 WeakPolarHBondContact O-CB 3.2Å; F175-Y179 PolarHBondContact O-N 3.28Å |
| 176 | G | 90.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.6 | -44 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | H29 I172 Q173 Y179 I180 | H29-G176 WeakPolarHBondContact NE2-CA 3.24Å; I172-G176 PolarHBondContact O-N 3.28Å; I172-G176 VanDerWaalsContact O-N 3.11Å; Q173-G176 PolarHBondContact O-N 2.93Å; G176-Y179 PolarHBondContact O-N 2.74Å; G176-I180 WeakPolarHBondContact O-CD1 3.35Å; G176-I180 WeakPolarHBondContact O-CG1 3.4Å; G176-I180 PolarHBondContact O-N 3.26Å |
| 177 | I | 87 | Confident | 88.7 | Confident | 62 Ų | 62 | 45 Ų | 45 | 32% | 0.318 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.6 | -52.6 | 175 | -70.1 | 170.3 | 0 | 0 | 0 | 110.6 | Q173 Y179 I180 D181 L193 | Q173-I177 HydrophobicContact CG-CD1 3.88Å; Q173-I177 WeakPolarHBondContact O-CG1 3.39Å; Q173-I177 PolarHBondContact O-N 3.27Å; I177-Y179 VanDerWaalsContact C-N 3.33Å; I177-Y179 PolarHBondContact O-N 2.82Å; I177-I180 PolarHBondContact O-N 2.95Å; I177-D181 PolarHBondContact O-N 2.9Å; I177-L193 HydrophobicContact CB-CD2 4.21Å; I177-L193 HydrophobicContact CG1-CD2 4.15Å; I177-L193 HydrophobicContact CG2-CD2 3.83Å |
| 178 | S | 87.9 | Confident | 88.1 | Confident | 35 Ų | 35 | 44.9 Ų | 44.9 | 25% | 0.245 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.5 | -35.4 | -179.5 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | R88 P174 F175 D182 | R88-S178 PolarHBondContact NH1-O 3.4Å; R88-S178 PolarHBondContact NH1-OG 3.11Å; P174-S178 WeakPolarHBondContact O-CB 3.16Å; P174-S178 PolarHBondContact O-N 3.43Å; P174-S178 VanDerWaalsContact O-N 3.08Å; P174-S178 PolarHBondContact O-OG 2.98Å; F175-S178 WeakPolarHBondContact CA-OG 3.48Å; F175-S178 PolarHBondContact O-OG 3.33Å; S178-D182 WeakPolarHBondContact O-CB 3.41Å; S178-D182 VanDerWaalsContact O-CG 3.23Å; S178-D182 PolarHBondContact O-N 3.35Å; S178-D182 VanDerWaalsContact O-N 3.08Å |
| 179 | Y | 89.5 | Confident | 87.5 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.5 | -39 | 175.6 | -167 | -87.1 | 0 | 0 | 0 | 111.5 | F25 R88 P89 F175 G176 I177 Y183 P264 M267 | F25-Y179 AromaticContact CD1-CD1 3.79Å; F25-Y179 HydrophobicContact CD1-CD1 3.79Å; F25-Y179 HydrophobicContact CD1-CE1 4.31Å; F25-Y179 AromaticContact CD2-CD1 3.87Å; F25-Y179 HydrophobicContact CD2-CD1 3.87Å; F25-Y179 AromaticContact CD2-CE1 3.76Å; F25-Y179 HydrophobicContact CD2-CE1 3.76Å; F25-Y179 AromaticContact CE1-CD1 3.56Å; F25-Y179 HydrophobicContact CE1-CD1 3.56Å; F25-Y179 HydrophobicContact CE1-CE1 4.4Å; F25-Y179 HydrophobicContact CE1-CG 4.17Å; F25-Y179 AromaticContact CE2-CD1 3.62Å; F25-Y179 HydrophobicContact CE2-CD1 3.62Å; F25-Y179 AromaticContact CE2-CE1 3.83Å; F25-Y179 HydrophobicContact CE2-CE1 3.83Å; F25-Y179 HydrophobicContact CE2-CG 4.19Å; F25-Y179 AromaticContact CG-CD1 3.95Å; F25-Y179 HydrophobicContact CG-CD1 3.95Å; F25-Y179 HydrophobicContact CG-CE1 4Å; F25-Y179 AromaticContact CZ-CD1 3.45Å; F25-Y179 HydrophobicContact CZ-CD1 3.45Å; F25-Y179 VanDerWaalsContact CZ-CD1 3.45Å; F25-Y179 HydrophobicContact CZ-CE1 4.16Å; F25-Y179 AromaticContact CZ-CG 3.82Å; F25-Y179 HydrophobicContact CZ-CG 3.82Å; R88-Y179 HydrophobicContact CB-CD2 4.18Å; P89-Y179 HydrophobicContact CG-CD2 3.97Å; P89-Y179 HydrophobicContact CG-CE2 3.49Å; P89-Y179 VanDerWaalsContact CG-CE2 3.49Å; F175-Y179 WeakPolarHBondContact O-CB 3.2Å; F175-Y179 PolarHBondContact O-N 3.28Å; G176-Y179 PolarHBondContact O-N 2.74Å; I177-Y179 VanDerWaalsContact C-N 3.33Å; I177-Y179 PolarHBondContact O-N 2.82Å; Y179-Y183 AromaticContact CD1-CD2 3.81Å; Y179-Y183 HydrophobicContact CD1-CD2 3.81Å; Y179-Y183 HydrophobicContact CD1-CE2 4.24Å; Y179-Y183 HydrophobicContact CD2-CD2 4.04Å; Y179-Y183 AromaticContact CD2-CE2 3.6Å; Y179-Y183 HydrophobicContact CD2-CE2 3.6Å; Y179-Y183 AromaticContact CE1-CD2 3.68Å; Y179-Y183 HydrophobicContact CE1-CD2 3.68Å; Y179-Y183 HydrophobicContact CE1-CE2 4.06Å; Y179-Y183 AromaticContact CE2-CD2 3.93Å; Y179-Y183 HydrophobicContact CE2-CD2 3.93Å; Y179-Y183 AromaticContact CE2-CE2 3.4Å; Y179-Y183 HydrophobicContact CE2-CE2 3.4Å; Y179-Y183 VanDerWaalsContact CE2-CE2 3.4Å; Y179-Y183 AromaticContact CG-CD2 3.99Å; Y179-Y183 HydrophobicContact CG-CD2 3.99Å; Y179-Y183 HydrophobicContact CG-CE2 4.03Å; Y179-Y183 AromaticContact CZ-CD2 3.74Å; Y179-Y183 AromaticContact CZ-CE2 3.64Å; Y179-Y183 WeakPolarHBondContact O-CD2 3.37Å; Y179-Y183 PolarHBondContact O-N 3.36Å; Y179-P264 PolarHBondContact OH-O 3Å; Y179-P264 VanDerWaalsContact OH-O 3.08Å; Y179-M267 HydrophobicContact CE1-CB 4.45Å; Y179-M267 HydrophobicContact CE1-CE 4.03Å; Y179-M267 HydrophobicContact CE1-SD 4.43Å |
| 180 | I | 90.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.9 | -44 | 175.8 | -71.9 | 162.4 | 0 | 0 | 0 | 111 | I22 F25 V26 G176 I177 D182 Y183 A184 Y192 L193 L196 | I22-I180 HydrophobicContact CD1-CG1 4.41Å; F25-I180 HydrophobicContact CD1-CD1 4.18Å; F25-I180 HydrophobicContact CD1-CG1 3.73Å; F25-I180 HydrophobicContact CE1-CD1 4.11Å; F25-I180 HydrophobicContact CE1-CG1 3.78Å; V26-I180 HydrophobicContact CG2-CD1 3.85Å; V26-I180 HydrophobicContact CG2-CG1 3.92Å; V26-I180 HydrophobicContact CG2-CG2 4.4Å; G176-I180 WeakPolarHBondContact O-CD1 3.35Å; G176-I180 WeakPolarHBondContact O-CG1 3.4Å; G176-I180 PolarHBondContact O-N 3.26Å; I177-I180 PolarHBondContact O-N 2.95Å; I180-D182 VanDerWaalsContact C-N 3.33Å; I180-D182 PolarHBondContact O-N 2.92Å; I180-Y183 PolarHBondContact O-N 3.38Å; I180-A184 HydrophobicContact CG2-CB 4.25Å; I180-A184 WeakPolarHBondContact O-CB 3.42Å; I180-A184 PolarHBondContact O-N 2.88Å; I180-Y192 HydrophobicContact CG2-CD2 4.15Å; I180-Y192 HydrophobicContact CG2-CG 4.47Å; I180-L193 HydrophobicContact CB-CD2 4.43Å; I180-L193 HydrophobicContact CG2-CD2 4.2Å; I180-L196 HydrophobicContact CD1-CD1 3.1Å |
| 181 | D | 86.4 | Confident | 86.4 | Confident | 93 Ų | 93 | 53.7 Ų | 53.7 | 50% | 0.497 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.8 | -36.6 | -178.7 | -162.1 | 53.9 | 0 | 0 | 0 | 112.8 | I177 Y183 S189 | I177-D181 PolarHBondContact O-N 2.9Å; D181-Y183 VanDerWaalsContact C-N 3.34Å; D181-Y183 PolarHBondContact O-N 3.03Å; D181-S189 PolarHBondContact OD1-OG 2.89Å |
| 182 | D | 87.4 | Confident | 86.3 | Confident | 67 Ų | 67 | 54 Ų | 54 | 36% | 0.358 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.6 | -28.2 | 179.7 | -76 | -12.2 | 0 | 0 | 0 | 113.7 | R88 S178 I180 K269 | R88-D182 IonicContact CZ-OD2 3.13Å; R88-D182 IonicContact NH1-OD2 2.65Å; R88-D182 PolarHBondContact NH1-OD2 3.46Å; R88-D182 IonicContact NH2-OD2 2.76Å; R88-D182 PolarHBondContact NH2-OD2 2.94Å; S178-D182 WeakPolarHBondContact O-CB 3.41Å; S178-D182 VanDerWaalsContact O-CG 3.23Å; S178-D182 PolarHBondContact O-N 3.35Å; S178-D182 VanDerWaalsContact O-N 3.08Å; I180-D182 VanDerWaalsContact C-N 3.33Å; I180-D182 PolarHBondContact O-N 2.92Å; D182-K269 WeakPolarHBondContact O-CE 3.12Å |
| 183 | Y | 89.9 | Confident | 85.7 | Confident | 30 Ų | 30 | 55.9 Ų | 55.9 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -119.1 | -17.2 | -169.5 | -60.5 | -63 | 0 | 0 | 0 | 115.4 | Y179 I180 D181 E266 M267 K269 E270 | Y179-Y183 AromaticContact CD1-CD2 3.81Å; Y179-Y183 HydrophobicContact CD1-CD2 3.81Å; Y179-Y183 HydrophobicContact CD1-CE2 4.24Å; Y179-Y183 HydrophobicContact CD2-CD2 4.04Å; Y179-Y183 AromaticContact CD2-CE2 3.6Å; Y179-Y183 HydrophobicContact CD2-CE2 3.6Å; Y179-Y183 AromaticContact CE1-CD2 3.68Å; Y179-Y183 HydrophobicContact CE1-CD2 3.68Å; Y179-Y183 HydrophobicContact CE1-CE2 4.06Å; Y179-Y183 AromaticContact CE2-CD2 3.93Å; Y179-Y183 HydrophobicContact CE2-CD2 3.93Å; Y179-Y183 AromaticContact CE2-CE2 3.4Å; Y179-Y183 HydrophobicContact CE2-CE2 3.4Å; Y179-Y183 VanDerWaalsContact CE2-CE2 3.4Å; Y179-Y183 AromaticContact CG-CD2 3.99Å; Y179-Y183 HydrophobicContact CG-CD2 3.99Å; Y179-Y183 HydrophobicContact CG-CE2 4.03Å; Y179-Y183 AromaticContact CZ-CD2 3.74Å; Y179-Y183 AromaticContact CZ-CE2 3.64Å; Y179-Y183 WeakPolarHBondContact O-CD2 3.37Å; Y179-Y183 PolarHBondContact O-N 3.36Å; I180-Y183 PolarHBondContact O-N 3.38Å; D181-Y183 VanDerWaalsContact C-N 3.34Å; D181-Y183 PolarHBondContact O-N 3.03Å; Y183-E266 HydrophobicContact CE1-CB 4.42Å; Y183-E266 VanDerWaalsContact OH-CA 3.3Å; Y183-E266 WeakPolarHBondContact OH-CA 3.19Å; Y183-M267 HydrophobicContact CD1-CB 3.87Å; Y183-M267 WeakPolarHBondContact CD1-O 2.87Å; Y183-M267 HydrophobicContact CD2-CB 4.01Å; Y183-M267 HydrophobicContact CE1-CB 4.28Å; Y183-M267 VanDerWaalsContact CE1-N 3.34Å; Y183-M267 WeakPolarHBondContact CE1-O 3.42Å; Y183-M267 HydrophobicContact CE2-CB 4.45Å; Y183-M267 HydrophobicContact CG-CB 3.75Å; Y183-K269 HydrophobicContact CD1-CG 4.37Å; Y183-E270 PolarHBondContact O-N 3.42Å |
| 184 | A | 89.2 | Confident | 85.1 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 10% | 0.099 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -78 | 152.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I22 I180 Y192 | I22-A184 HydrophobicContact CG1-CB 4.22Å; I180-A184 HydrophobicContact CG2-CB 4.25Å; I180-A184 WeakPolarHBondContact O-CB 3.42Å; I180-A184 PolarHBondContact O-N 2.88Å; A184-Y192 HydrophobicContact CB-CD2 3.73Å; A184-Y192 HydrophobicContact CB-CE2 3.96Å |
| 185 | S | 88.2 | Confident | 85 | Confident | 11 Ų | 11 | 55.9 Ų | 55.9 | 8% | 0.077 | 28% | 0.279 | C | S | . | . | trans | -64 | 151.1 | 171.8 | 59.4 | 0 | 0 | 0 | 0 | 110.5 | R187 N188 S189 E270 | S185-R187 PolarHBondContact O-N 3.49Å; S185-R187 VanDerWaalsContact O-N 3.09Å; S185-N188 PolarHBondContact O-N 3.31Å; S185-N188 VanDerWaalsContact OG-CB 3.29Å; S185-N188 WeakPolarHBondContact OG-CB 3.41Å; S185-N188 VanDerWaalsContact OG-CG 3.3Å; S185-N188 PolarHBondContact OG-N 2.88Å; S185-N188 PolarHBondContact OG-ND2 2.71Å; S185-S189 PolarHBondContact O-N 3.21Å; S185-E270 WeakPolarHBondContact CB-OE2 3.43Å; S185-E270 PolarHBondContact N-OE2 3.04Å; S185-E270 VanDerWaalsContact N-OE2 3.13Å; S185-E270 PolarHBondContact OG-OE2 3.43Å | ||
| 186 | R | 78 | Confident | 84.8 | Confident | 225 Ų | 225 | 55.9 Ų | 55.9 | 85% | 0.849 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -29.1 | 179.9 | -71.5 | -158.9 | -175.7 | -136.4 | 5.8 | 112.7 | P190 | R186-P190 WeakPolarHBondContact O-CD 3.41Š|
| 187 | R | 79.6 | Confident | 84.3 | Confident | 216 Ų | 216 | 60.3 Ų | 60.3 | 82% | 0.815 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -38.3 | 176.7 | -171.5 | 176.3 | 177.8 | 177.9 | -0.8 | 112.9 | S185 | S185-R187 PolarHBondContact O-N 3.49Å; S185-R187 VanDerWaalsContact O-N 3.09Å |
| 188 | N | 81.9 | Confident | 83.9 | Confident | 49 Ų | 49 | 59.6 Ų | 59.6 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -23.7 | -175.5 | -63.6 | -23.1 | 0 | 0 | 0 | 114.1 | S185 L191 Y192 E270 | S185-N188 PolarHBondContact O-N 3.31Å; S185-N188 VanDerWaalsContact OG-CB 3.29Å; S185-N188 WeakPolarHBondContact OG-CB 3.41Å; S185-N188 VanDerWaalsContact OG-CG 3.3Å; S185-N188 PolarHBondContact OG-N 2.88Å; S185-N188 PolarHBondContact OG-ND2 2.71Å; N188-L191 WeakPolarHBondContact O-CB 3.49Å; N188-L191 PolarHBondContact O-N 3.05Å; N188-Y192 HydrophobicContact CB-CD2 4.45Å; N188-Y192 HydrophobicContact CB-CE2 3.94Å; N188-Y192 PolarHBondContact O-N 3.39Å; N188-Y192 VanDerWaalsContact O-N 3.08Å; N188-E270 WeakPolarHBondContact CB-OE2 3.4Å; N188-E270 VanDerWaalsContact ND2-CD 3.29Å; N188-E270 PolarHBondContact ND2-OE1 3.28Å; N188-E270 VanDerWaalsContact ND2-OE1 3.11Å; N188-E270 PolarHBondContact ND2-OE2 3.39Å |
| 189 | S | 81.1 | Confident | 83.9 | Confident | 8 Ų | 8 | 59.6 Ų | 59.6 | 6% | 0.056 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -49.8 | -48.5 | 179.1 | 173.2 | 0 | 0 | 0 | 0 | 112.7 | D181 S185 L191 Y192 L193 | D181-S189 PolarHBondContact OD1-OG 2.89Å; S185-S189 PolarHBondContact O-N 3.21Å; S189-L191 VanDerWaalsContact C-N 3.3Å; S189-L191 PolarHBondContact O-N 3.39Å; S189-Y192 PolarHBondContact O-N 3.36Å; S189-L193 WeakPolarHBondContact O-CG 3.43Å; S189-L193 PolarHBondContact O-N 3.48Å |
| 190 | P | 77.6 | Confident | 83.6 | Confident | 84 Ų | 84 | 61 Ų | 61 | 55% | 0.545 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.2 | -34.7 | 178.4 | -23.8 | 34.7 | 0 | 0 | 0 | 114.1 | R186 G194 | R186-P190 WeakPolarHBondContact O-CD 3.41Å; P190-G194 PolarHBondContact O-N 3.39Å |
| 191 | L | 83.3 | Confident | 83.2 | Confident | 107 Ų | 107 | 63.2 Ų | 63.2 | 56% | 0.56 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -67.9 | -46.3 | 177.4 | 177.3 | 65.6 | 0 | 0 | 0 | 110.7 | N188 S189 G194 I195 | N188-L191 WeakPolarHBondContact O-CB 3.49Å; N188-L191 PolarHBondContact O-N 3.05Å; S189-L191 VanDerWaalsContact C-N 3.3Å; S189-L191 PolarHBondContact O-N 3.39Å; L191-G194 PolarHBondContact O-N 3.3Å; L191-I195 HydrophobicContact CG-CD1 4.36Å; L191-I195 WeakPolarHBondContact O-CG1 3.2Å; L191-I195 PolarHBondContact O-N 3.04Å |
| 192 | Y | 86.7 | Confident | 83.3 | Confident | 19 Ų | 19 | 62.1 Ų | 62.1 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 178.8 | -63.7 | -21.1 | 0 | 0 | 0 | 112.4 | I22 K23 V26 I180 A184 N188 S189 G194 I195 L196 E270 | I22-Y192 HydrophobicContact CG1-CE2 4.35Å; I22-Y192 HydrophobicContact CG2-CE2 4.02Å; K23-Y192 WeakPolarHBondContact CG-OH 3.49Å; V26-Y192 HydrophobicContact CG1-CD1 4.22Å; V26-Y192 HydrophobicContact CG1-CG 4.27Å; V26-Y192 HydrophobicContact CG2-CD1 4.24Å; V26-Y192 HydrophobicContact CG2-CD2 3.78Å; V26-Y192 HydrophobicContact CG2-CE2 4.39Å; V26-Y192 HydrophobicContact CG2-CG 3.69Å; I180-Y192 HydrophobicContact CG2-CD2 4.15Å; I180-Y192 HydrophobicContact CG2-CG 4.47Å; A184-Y192 HydrophobicContact CB-CD2 3.73Å; A184-Y192 HydrophobicContact CB-CE2 3.96Å; N188-Y192 HydrophobicContact CB-CD2 4.45Å; N188-Y192 HydrophobicContact CB-CE2 3.94Å; N188-Y192 PolarHBondContact O-N 3.39Å; N188-Y192 VanDerWaalsContact O-N 3.08Å; S189-Y192 PolarHBondContact O-N 3.36Å; Y192-G194 VanDerWaalsContact C-N 3.32Å; Y192-G194 PolarHBondContact O-N 3.45Å; Y192-I195 PolarHBondContact O-N 3.09Å; Y192-L196 PolarHBondContact O-N 3.49Å; Y192-L196 VanDerWaalsContact O-N 3.11Å; Y192-E270 PolarHBondContact OH-OE1 3.44Å |
| 193 | L | 81.1 | Confident | 83.5 | Confident | 40 Ų | 40 | 59 Ų | 59 | 21% | 0.209 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.6 | -37.3 | 173.9 | -64.9 | 179.1 | 0 | 0 | 0 | 111.8 | I177 I180 S189 L196 L197 | I177-L193 HydrophobicContact CB-CD2 4.21Å; I177-L193 HydrophobicContact CG1-CD2 4.15Å; I177-L193 HydrophobicContact CG2-CD2 3.83Å; I180-L193 HydrophobicContact CB-CD2 4.43Å; I180-L193 HydrophobicContact CG2-CD2 4.2Å; S189-L193 WeakPolarHBondContact O-CG 3.43Å; S189-L193 PolarHBondContact O-N 3.48Å; L193-L196 WeakPolarHBondContact O-CB 3.37Å; L193-L196 PolarHBondContact O-N 3.02Å; L193-L197 WeakPolarHBondContact O-CG 3.31Å; L193-L197 PolarHBondContact O-N 3.35Å |
| 194 | G | 75.6 | Confident | 83.6 | Confident | 37 Ų | 37 | 58.9 Ų | 58.9 | 38% | 0.381 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.2 | -43.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | P190 L191 Y192 L196 L197 A198 | P190-G194 PolarHBondContact O-N 3.39Å; L191-G194 PolarHBondContact O-N 3.3Å; Y192-G194 VanDerWaalsContact C-N 3.32Å; Y192-G194 PolarHBondContact O-N 3.45Å; G194-L196 VanDerWaalsContact C-N 3.34Å; G194-L196 PolarHBondContact O-N 2.87Å; G194-L197 PolarHBondContact O-N 3.49Å; G194-A198 PolarHBondContact O-N 3.21Å |
| 195 | I | 84.9 | Confident | 83.8 | Confident | 72 Ų | 72 | 59 Ų | 59 | 37% | 0.369 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60 | -45.6 | 174.9 | -67.8 | 166 | 0 | 0 | 0 | 110.3 | L191 Y192 L197 A198 M199 | L191-I195 HydrophobicContact CG-CD1 4.36Å; L191-I195 WeakPolarHBondContact O-CG1 3.2Å; L191-I195 PolarHBondContact O-N 3.04Å; Y192-I195 PolarHBondContact O-N 3.09Å; I195-L197 PolarHBondContact O-N 2.92Å; I195-A198 WeakPolarHBondContact O-CB 3.21Å; I195-A198 PolarHBondContact O-N 3.45Å; I195-M199 HydrophobicContact CG2-CG 4.48Å; I195-M199 VanDerWaalsContact O-CG 3.3Å; I195-M199 WeakPolarHBondContact O-CG 3.41Å; I195-M199 PolarHBondContact O-N 3.26Å |
| 196 | L | 85.6 | Confident | 84.1 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 177.5 | -107.4 | 140.6 | 0 | 0 | 0 | 112.9 | H29 Q33 I180 Y192 L193 G194 A198 M199 T200 | H29-L196 WeakPolarHBondContact CD2-CD2 3.07Å; Q33-L196 HydrophobicContact CB-CD2 4.3Å; Q33-L196 HydrophobicContact CG-CD2 4.33Å; I180-L196 HydrophobicContact CD1-CD1 3.1Å; Y192-L196 PolarHBondContact O-N 3.49Å; Y192-L196 VanDerWaalsContact O-N 3.11Å; L193-L196 WeakPolarHBondContact O-CB 3.37Å; L193-L196 PolarHBondContact O-N 3.02Å; G194-L196 VanDerWaalsContact C-N 3.34Å; G194-L196 PolarHBondContact O-N 2.87Å; L196-A198 VanDerWaalsContact C-N 3.32Å; L196-A198 PolarHBondContact O-N 3.49Å; L196-M199 PolarHBondContact O-N 3.32Å; L196-T200 WeakPolarHBondContact O-CG2 3.46Å; L196-T200 PolarHBondContact O-N 3.11Å |
| 197 | L | 79.2 | Confident | 85 | Confident | 93 Ų | 93 | 51 Ų | 51 | 49% | 0.487 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.3 | -37.7 | 177.7 | -69 | 170.8 | 0 | 0 | 0 | 111.8 | L193 G194 I195 M199 T200 | L193-L197 WeakPolarHBondContact O-CG 3.31Å; L193-L197 PolarHBondContact O-N 3.35Å; G194-L197 PolarHBondContact O-N 3.49Å; I195-L197 PolarHBondContact O-N 2.92Å; L197-M199 PolarHBondContact O-N 2.97Å; L197-T200 PolarHBondContact O-N 3.02Å; L197-T200 PolarHBondContact O-OG1 3.32Å |
| 198 | A | 79.6 | Confident | 85.8 | Confident | 47 Ų | 47 | 40.8 Ų | 40.8 | 39% | 0.388 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.1 | -45 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | G194 I195 L196 T200 S201 I202 | G194-A198 PolarHBondContact O-N 3.21Å; I195-A198 WeakPolarHBondContact O-CB 3.21Å; I195-A198 PolarHBondContact O-N 3.45Å; L196-A198 VanDerWaalsContact C-N 3.32Å; L196-A198 PolarHBondContact O-N 3.49Å; A198-T200 PolarHBondContact O-N 2.98Å; A198-S201 PolarHBondContact O-N 2.69Å; A198-I202 PolarHBondContact O-N 3.08Å |
| 199 | M | 86.1 | Confident | 86.5 | Confident | 36 Ų | 36 | 40.8 Ų | 40.8 | 18% | 0.177 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.6 | -29.3 | 178 | -64.7 | -63.6 | -81 | 0 | 0 | 112.6 | L34 I195 L196 L197 S201 I202 G203 | L34-M199 HydrophobicContact CB-CE 3.98Å; L34-M199 HydrophobicContact CD1-CE 3.26Å; L34-M199 HydrophobicContact CD1-SD 4.25Å; L34-M199 HydrophobicContact CG-CE 4.26Å; I195-M199 HydrophobicContact CG2-CG 4.48Å; I195-M199 VanDerWaalsContact O-CG 3.3Å; I195-M199 WeakPolarHBondContact O-CG 3.41Å; I195-M199 PolarHBondContact O-N 3.26Å; L196-M199 PolarHBondContact O-N 3.32Å; L197-M199 PolarHBondContact O-N 2.97Å; M199-S201 PolarHBondContact O-N 3.31Å; M199-I202 PolarHBondContact O-N 3.2Å; M199-I202 HydrophobicContact SD-CD1 3.96Å; M199-G203 PolarHBondContact O-N 3.09Å; M199-G203 VanDerWaalsContact O-N 3.12Å |
| 200 | T | 84.1 | Confident | 87.2 | Confident | 29 Ų | 29 | 42.1 Ų | 42.1 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.9 | -26 | 173 | 66.4 | 0 | 0 | 0 | 0 | 113.9 | Q33 L37 L196 L197 A198 P204 | Q33-T200 HydrophobicContact CG-CG2 3.62Å; L37-T200 HydrophobicContact CD1-CG2 3.85Å; L37-T200 WeakPolarHBondContact CD1-O 3Å; L196-T200 WeakPolarHBondContact O-CG2 3.46Å; L196-T200 PolarHBondContact O-N 3.11Å; L197-T200 PolarHBondContact O-N 3.02Å; L197-T200 PolarHBondContact O-OG1 3.32Å; A198-T200 PolarHBondContact O-N 2.98Å; T200-P204 WeakPolarHBondContact O-CD 3.48Å |
| 201 | S | 81.3 | Confident | 88 | Confident | 48 Ų | 48 | 38.1 Ų | 38.1 | 34% | 0.336 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -87.6 | -30.9 | 177.8 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | A198 M199 | A198-S201 PolarHBondContact O-N 2.69Å; M199-S201 PolarHBondContact O-N 3.31Å |
| 202 | I | 89.1 | Confident | 88.6 | Confident | 70 Ų | 70 | 33.1 Ų | 33.1 | 36% | 0.359 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -72.4 | -37.4 | 179.6 | -65.9 | 168.9 | 0 | 0 | 0 | 111.6 | L34 A198 M199 A205 L206 | L34-I202 HydrophobicContact CD1-CG2 3.98Å; A198-I202 PolarHBondContact O-N 3.08Å; M199-I202 PolarHBondContact O-N 3.2Å; M199-I202 HydrophobicContact SD-CD1 3.96Å; I202-A205 WeakPolarHBondContact O-CB 3.5Å; I202-A205 PolarHBondContact O-N 3.38Å; I202-A205 VanDerWaalsContact O-N 3.16Å; I202-L206 HydrophobicContact CG2-CD1 3.77Å; I202-L206 HydrophobicContact CG2-CG 4.03Å; I202-L206 PolarHBondContact O-N 3.4Å |
| 203 | G | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -51.4 | -56.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L38 M199 A205 L206 G207 | L38-G203 WeakPolarHBondContact CA-O 3.28Å; M199-G203 PolarHBondContact O-N 3.09Å; M199-G203 VanDerWaalsContact O-N 3.12Å; G203-A205 VanDerWaalsContact C-N 3.32Å; G203-A205 PolarHBondContact O-N 3.15Å; G203-L206 PolarHBondContact O-N 3.39Å; G203-G207 PolarHBondContact O-N 3.32Å |
| 204 | P | 92.1 | Very high | 89.8 | Confident | 29 Ų | 29 | 36.4 Ų | 36.4 | 19% | 0.188 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -38.1 | 177.7 | -25.5 | 36.2 | 0 | 0 | 0 | 113.4 | L37 T200 G207 F208 | L37-P204 HydrophobicContact CB-CG 4.21Å; T200-P204 WeakPolarHBondContact O-CD 3.48Å; P204-G207 PolarHBondContact O-N 3Å; P204-G207 VanDerWaalsContact O-N 3.14Å; P204-F208 VanDerWaalsContact O-CD2 3.28Å; P204-F208 WeakPolarHBondContact O-CD2 3.5Å; P204-F208 PolarHBondContact O-N 3.43Å |
| 205 | A | 92.5 | Very high | 90.7 | Very high | 15 Ų | 15 | 34.7 Ų | 34.7 | 12% | 0.124 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60 | -47.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | I202 G203 G207 F208 V209 M361 | I202-A205 WeakPolarHBondContact O-CB 3.5Å; I202-A205 PolarHBondContact O-N 3.38Å; I202-A205 VanDerWaalsContact O-N 3.16Å; G203-A205 VanDerWaalsContact C-N 3.32Å; G203-A205 PolarHBondContact O-N 3.15Å; A205-G207 VanDerWaalsContact C-N 3.31Å; A205-G207 PolarHBondContact O-N 3.38Å; A205-F208 PolarHBondContact O-N 3.03Å; A205-V209 WeakPolarHBondContact O-CG2 3.3Å; A205-V209 PolarHBondContact O-N 2.96Å; A205-M361 HydrophobicContact CB-CB 3.6Å; A205-M361 HydrophobicContact CB-CG 4.01Å |
| 206 | L | 94.9 | Very high | 91.1 | Very high | 67 Ų | 67 | 37.1 Ų | 37.1 | 35% | 0.351 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.5 | -38 | 173.8 | -69.3 | 176.1 | 0 | 0 | 0 | 111.7 | L34 L38 I202 G203 F208 V209 T210 | L34-L206 HydrophobicContact CD1-CD1 3.81Å; L34-L206 HydrophobicContact CD2-CD1 3.89Å; L34-L206 HydrophobicContact CG-CD1 4.12Å; L38-L206 HydrophobicContact CD1-CB 4.05Å; I202-L206 HydrophobicContact CG2-CD1 3.77Å; I202-L206 HydrophobicContact CG2-CG 4.03Å; I202-L206 PolarHBondContact O-N 3.4Å; G203-L206 PolarHBondContact O-N 3.39Å; L206-F208 VanDerWaalsContact C-N 3.33Å; L206-F208 PolarHBondContact O-N 3.32Å; L206-V209 PolarHBondContact O-N 3.38Å; L206-T210 WeakPolarHBondContact O-CB 3.39Å; L206-T210 PolarHBondContact O-N 2.93Å; L206-T210 PolarHBondContact O-OG1 3Å |
| 207 | G | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.3 | -40.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | G203 P204 A205 G211 | G203-G207 PolarHBondContact O-N 3.32Å; P204-G207 PolarHBondContact O-N 3Å; P204-G207 VanDerWaalsContact O-N 3.14Å; A205-G207 VanDerWaalsContact C-N 3.31Å; A205-G207 PolarHBondContact O-N 3.38Å; G207-G211 PolarHBondContact O-N 3.19Å |
| 208 | F | 96.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.7 | -41.1 | 173.4 | -82.8 | -76.1 | 0 | 0 | 0 | 112.8 | K44 P204 A205 L206 G211 S212 A334 P338 I356 M361 | K44-F208 HydrophobicContact CB-CE1 4.41Å; K44-F208 HydrophobicContact CB-CZ 3.8Å; P204-F208 VanDerWaalsContact O-CD2 3.28Å; P204-F208 WeakPolarHBondContact O-CD2 3.5Å; P204-F208 PolarHBondContact O-N 3.43Å; A205-F208 PolarHBondContact O-N 3.03Å; L206-F208 VanDerWaalsContact C-N 3.33Å; L206-F208 PolarHBondContact O-N 3.32Å; F208-G211 CarbonylContact O-C 3.48Å; F208-G211 WeakPolarHBondContact O-CA 3.4Å; F208-G211 PolarHBondContact O-N 3.29Å; F208-S212 PolarHBondContact O-N 3.36Å; F208-A334 VanDerWaalsContact CZ-O 3.23Å; F208-A334 WeakPolarHBondContact CZ-O 3.07Å; F208-P338 HydrophobicContact CD1-CG 4.35Å; F208-P338 HydrophobicContact CE1-CG 3.68Å; F208-I356 HydrophobicContact CD1-CB 4.16Å; F208-I356 HydrophobicContact CD1-CG2 4.14Å; F208-I356 HydrophobicContact CD2-CG2 4.17Å; F208-I356 HydrophobicContact CE1-CB 4.47Å; F208-I356 HydrophobicContact CE1-CG2 4.16Å; F208-I356 HydrophobicContact CE2-CG2 4.18Å; F208-I356 HydrophobicContact CG-CB 4.41Å; F208-I356 HydrophobicContact CG-CG2 4.17Å; F208-I356 HydrophobicContact CZ-CG2 4.19Å; F208-M361 HydrophobicContact CD2-CE 4.09Å; F208-M361 HydrophobicContact CE2-CE 3.84Å |
| 209 | V | 96.3 | Very high | 92.7 | Very high | 49 Ų | 49 | 34.7 Ų | 34.7 | 30% | 0.297 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.4 | -44.3 | 178.1 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | A205 L206 G211 S212 F213 M354 | A205-V209 WeakPolarHBondContact O-CG2 3.3Å; A205-V209 PolarHBondContact O-N 2.96Å; L206-V209 PolarHBondContact O-N 3.38Å; V209-G211 VanDerWaalsContact C-N 3.3Å; V209-G211 PolarHBondContact O-N 3.36Å; V209-S212 VanDerWaalsContact O-CB 3.3Å; V209-S212 WeakPolarHBondContact O-CB 3.4Å; V209-S212 PolarHBondContact O-N 3.03Å; V209-S212 VanDerWaalsContact O-N 3.12Å; V209-F213 PolarHBondContact O-N 3.26Å; V209-M354 HydrophobicContact CG1-CE 4.31Å; V209-M354 HydrophobicContact CG2-SD 4.4Å |
| 210 | T | 96 | Very high | 92.9 | Very high | 37 Ų | 37 | 33 Ų | 33 | 23% | 0.227 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.6 | -41.5 | 172.2 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | Y42 L206 S212 F213 L214 | Y42-T210 HydrophobicContact CD2-CG2 4.32Å; L206-T210 WeakPolarHBondContact O-CB 3.39Å; L206-T210 PolarHBondContact O-N 2.93Å; L206-T210 PolarHBondContact O-OG1 3Å; T210-S212 PolarHBondContact O-N 2.86Å; T210-F213 PolarHBondContact O-N 3Å; T210-L214 HydrophobicContact CG2-CD1 3.66Å; T210-L214 HydrophobicContact CG2-CG 4.18Å; T210-L214 WeakPolarHBondContact O-CG 3.34Å; T210-L214 PolarHBondContact O-N 2.85Å |
| 211 | G | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.4 | -47.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | S45 G207 F208 V209 F213 L214 M215 | S45-G211 WeakPolarHBondContact OG-CA 3.41Å; G207-G211 PolarHBondContact O-N 3.19Å; F208-G211 CarbonylContact O-C 3.48Å; F208-G211 WeakPolarHBondContact O-CA 3.4Å; F208-G211 PolarHBondContact O-N 3.29Å; V209-G211 VanDerWaalsContact C-N 3.3Å; V209-G211 PolarHBondContact O-N 3.36Å; G211-F213 VanDerWaalsContact C-N 3.29Å; G211-F213 PolarHBondContact O-N 3.16Å; G211-L214 PolarHBondContact O-N 2.98Å; G211-M215 VanDerWaalsContact O-CB 3.31Å; G211-M215 WeakPolarHBondContact O-CB 3.47Å; G211-M215 WeakPolarHBondContact O-CG 3.47Å; G211-M215 PolarHBondContact O-N 3.49Å |
| 212 | S | 96.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.1 | -43.8 | 177.1 | -179.4 | 0 | 0 | 0 | 0 | 112.4 | F208 V209 T210 P350 | F208-S212 PolarHBondContact O-N 3.36Å; V209-S212 VanDerWaalsContact O-CB 3.3Å; V209-S212 WeakPolarHBondContact O-CB 3.4Å; V209-S212 PolarHBondContact O-N 3.03Å; V209-S212 VanDerWaalsContact O-N 3.12Å; T210-S212 PolarHBondContact O-N 2.86Å; S212-P350 VanDerWaalsContact CB-O 3.26Å; S212-P350 WeakPolarHBondContact CB-O 3.42Å; S212-P350 VanDerWaalsContact O-CB 3.29Å; S212-P350 WeakPolarHBondContact O-CB 3.46Å; S212-P350 PolarHBondContact OG-O 3.5Å |
| 213 | F | 96.3 | Very high | 93.4 | Very high | 116 Ų | 116 | 37 Ų | 37 | 51% | 0.509 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -70.4 | -49.7 | -180 | -177 | -103 | 0 | 0 | 0 | 112.4 | V209 T210 G211 M215 R216 F217 | V209-F213 PolarHBondContact O-N 3.26Å; T210-F213 PolarHBondContact O-N 3Å; G211-F213 VanDerWaalsContact C-N 3.29Å; G211-F213 PolarHBondContact O-N 3.16Å; F213-M215 PolarHBondContact O-N 3.19Å; F213-R216 VanDerWaalsContact O-CB 3.32Å; F213-R216 WeakPolarHBondContact O-CB 3.5Å; F213-R216 WeakPolarHBondContact O-CG 3.47Å; F213-R216 PolarHBondContact O-N 2.81Å; F213-F217 HydrophobicContact CD1-CE2 4.45Å; F213-F217 AromaticContact CE1-CE2 3.96Å; F213-F217 HydrophobicContact CE1-CE2 3.96Å; F213-F217 HydrophobicContact CZ-CE2 4.24Å; F213-F217 HydrophobicContact CZ-CZ 4.41Å |
| 214 | L | 95.8 | Very high | 93 | Very high | 13 Ų | 13 | 38.3 Ų | 38.3 | 7% | 0.068 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -73.8 | -27 | -172.5 | -61.3 | 179.7 | 0 | 0 | 0 | 113.4 | Y42 T210 G211 R216 F217 L244 | Y42-L214 HydrophobicContact CE2-CD1 4.08Å; T210-L214 HydrophobicContact CG2-CD1 3.66Å; T210-L214 HydrophobicContact CG2-CG 4.18Å; T210-L214 WeakPolarHBondContact O-CG 3.34Å; T210-L214 PolarHBondContact O-N 2.85Å; G211-L214 PolarHBondContact O-N 2.98Å; L214-R216 PolarHBondContact O-N 3.21Å; L214-F217 PolarHBondContact O-N 3.2Å; L214-L244 HydrophobicContact CD1-CG 4.43Å; L214-L244 HydrophobicContact CD2-CD2 3.85Å; L214-L244 HydrophobicContact CD2-CG 4.18Å |
| 215 | M | 94.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -5.9 | 176.2 | -63.6 | -62.7 | 160.4 | 0 | 0 | 113.8 | Y42 S46 T49 G211 F213 F217 W238 W242 I349 P350 | Y42-M215 HydrophobicContact CE2-CE 4.29Å; S46-M215 WeakPolarHBondContact OG-CE 3.4Å; T49-M215 HydrophobicContact CG2-SD 4.13Å; G211-M215 VanDerWaalsContact O-CB 3.31Å; G211-M215 WeakPolarHBondContact O-CB 3.47Å; G211-M215 WeakPolarHBondContact O-CG 3.47Å; G211-M215 PolarHBondContact O-N 3.49Å; F213-M215 PolarHBondContact O-N 3.19Å; M215-F217 VanDerWaalsContact C-N 3.3Å; M215-W238 PolarHBondContact O-NE1 3.04Å; M215-W242 HydrophobicContact CE-CB 3.67Å; M215-W242 HydrophobicContact SD-CB 4.17Å; M215-I349 HydrophobicContact CB-CG2 4.01Å; M215-I349 HydrophobicContact CG-CG2 4Å; M215-P350 HydrophobicContact CB-CG 4.15Å |
| 216 | R | 93.6 | Very high | 91.5 | Very high | 124 Ų | 124 | 50.9 Ų | 50.9 | 47% | 0.468 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -22.4 | 172.8 | -65.5 | 178.4 | -178.3 | -165.1 | -1.7 | 113.1 | F213 L214 Q233 W238 P350 | F213-R216 VanDerWaalsContact O-CB 3.32Å; F213-R216 WeakPolarHBondContact O-CB 3.5Å; F213-R216 WeakPolarHBondContact O-CG 3.47Å; F213-R216 PolarHBondContact O-N 2.81Å; L214-R216 PolarHBondContact O-N 3.21Å; R216-Q233 PolarHBondContact O-NE2 3.37Å; R216-W238 VanDerWaalsContact O-CZ2 3.27Å; R216-W238 WeakPolarHBondContact O-CZ2 3.42Å; R216-P350 HydrophobicContact CG-CB 3.97Å; R216-P350 HydrophobicContact CG-CG 3.75Å |
| 217 | F | 92.7 | Very high | 90.2 | Very high | 86 Ų | 86 | 51.2 Ų | 51.2 | 38% | 0.377 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -87.5 | 137.4 | 176.4 | -59.9 | -78.4 | 0 | 0 | 0 | 109.5 | F213 L214 M215 F221 G240 A241 | F213-F217 HydrophobicContact CD1-CE2 4.45Å; F213-F217 AromaticContact CE1-CE2 3.96Å; F213-F217 HydrophobicContact CE1-CE2 3.96Å; F213-F217 HydrophobicContact CZ-CE2 4.24Å; F213-F217 HydrophobicContact CZ-CZ 4.41Å; L214-F217 PolarHBondContact O-N 3.2Å; M215-F217 VanDerWaalsContact C-N 3.3Å; F217-F221 HydrophobicContact CB-CD1 4.02Å; F217-F221 HydrophobicContact CB-CE1 4.27Å; F217-G240 CarbonylContact O-C 3.27Å; F217-G240 VanDerWaalsContact O-CA 3.28Å; F217-G240 WeakPolarHBondContact O-CA 3.36Å; F217-A241 HydrophobicContact CB-CB 3.95Å; F217-A241 PolarHBondContact O-N 3.01Å |
| 218 | Y | 92.7 | Very high | 89 | Confident | 8 Ų | 8 | 56 Ų | 56 | 3% | 0.031 | 28% | 0.277 | C | S | . | . | B | Isolated β-bridge | trans | -67.1 | 141.4 | 177.2 | -178.9 | -107.2 | 0 | 0 | 0 | 110.7 | Y116 D220 F221 L224 I229 L231 W238 | Y116-Y218 WeakPolarHBondContact CD1-OH 3.44Å; Y218-D220 VanDerWaalsContact C-N 3.29Å; Y218-D220 HydrophobicContact CE1-CB 4.23Å; Y218-D220 PolarHBondContact O-N 3.01Å; Y218-D220 VanDerWaalsContact O-N 3.1Å; Y218-F221 WeakPolarHBondContact O-CB 3.46Å; Y218-F221 WeakPolarHBondContact O-CD1 3.47Å; Y218-F221 PolarHBondContact O-N 3.42Å; Y218-F221 VanDerWaalsContact O-N 3.12Å; Y218-L224 HydrophobicContact CE1-CD1 4.28Å; Y218-I229 HydrophobicContact CD1-CD1 4.08Å; Y218-I229 HydrophobicContact CD1-CG1 4.23Å; Y218-I229 HydrophobicContact CD1-CG2 4.11Å; Y218-I229 HydrophobicContact CD2-CG2 4.27Å; Y218-I229 HydrophobicContact CG-CD1 4.48Å; Y218-I229 HydrophobicContact CG-CG2 3.86Å; Y218-L231 HydrophobicContact CE2-CD1 3.79Å; Y218-W238 HydrophobicContact CD2-CD2 4.38Å; Y218-W238 AromaticContact CD2-CE3 3.93Å; Y218-W238 HydrophobicContact CD2-CE3 3.93Å; Y218-W238 HydrophobicContact CD2-CH2 4.24Å; Y218-W238 AromaticContact CD2-CZ3 3.85Å; Y218-W238 HydrophobicContact CD2-CZ3 3.85Å; Y218-W238 HydrophobicContact CG-CH2 4.43Å; Y218-W238 HydrophobicContact CG-CZ3 4.36Å |
| 219 | V | 92.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -33.3 | -165.9 | 71.3 | 0 | 0 | 0 | 0 | 116.1 | R53 H110 Y116 V239 G240 W243 | R53-V219 VanDerWaalsContact NH1-CG1 3.28Å; H110-V219 PolarHBondContact CE1-O 2.86Å; Y116-V219 HydrophobicContact CD1-CG1 4.49Å; Y116-V219 HydrophobicContact CG-CG1 4.41Å; V219-V239 HydrophobicContact CB-CB 4.04Å; V219-V239 HydrophobicContact CB-CG1 3.65Å; V219-V239 WeakPolarHBondContact CB-O 3.42Å; V219-V239 HydrophobicContact CG1-CB 3.83Å; V219-V239 HydrophobicContact CG1-CG1 3.75Å; V219-V239 HydrophobicContact CG2-CG1 3.85Å; V219-V239 PolarHBondContact N-O 3.35Å; V219-G240 WeakPolarHBondContact CB-O 3.47Å; V219-G240 VanDerWaalsContact CG2-O 3.32Å; V219-G240 WeakPolarHBondContact CG2-O 3.46Å; V219-W243 PolarHBondContact O-NE1 3.48Å |
| 220 | D | 90.9 | Very high | 87 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 34.4 | -179.3 | -57.7 | -48.9 | 0 | 0 | 0 | 112 | R53 H110 Y116 Y218 D222 K223 L224 | R53-D220 IonicContact CZ-OD1 3.46Å; R53-D220 IonicContact NH1-OD1 3.76Å; R53-D220 PolarHBondContact NH1-OD1 3.18Å; R53-D220 IonicContact NH1-OD2 2.64Å; R53-D220 IonicContact NH2-OD1 2.61Å; R53-D220 PolarHBondContact NH2-OD1 3.34Å; R53-D220 VanDerWaalsContact NH2-OD1 3.13Å; H110-D220 IonicContact CE1-OD1 3.56Å; H110-D220 PolarHBondContact CE1-OD1 3.48Å; H110-D220 IonicContact ND1-OD1 3.74Å; Y116-D220 WeakPolarHBondContact CA-OD2 3.38Å; Y116-D220 WeakPolarHBondContact CB-OD2 3.09Å; Y116-D220 PolarHBondContact N-OD2 2.81Å; Y218-D220 VanDerWaalsContact C-N 3.29Å; Y218-D220 HydrophobicContact CE1-CB 4.23Å; Y218-D220 PolarHBondContact O-N 3.01Å; Y218-D220 VanDerWaalsContact O-N 3.1Å; D220-D222 WeakPolarHBondContact CA-OD1 3.47Å; D220-D222 PolarHBondContact O-N 2.84Å; D220-D222 VanDerWaalsContact O-N 3.12Å; D220-K223 HydrophobicContact CB-CB 4.19Å; D220-K223 HydrophobicContact CB-CD 4.24Å; D220-K223 HydrophobicContact CB-CG 4.34Å; D220-K223 PolarHBondContact O-N 3.31Å; D220-K223 IonicContact OD1-NZ 2.88Å; D220-L224 PolarHBondContact O-N 3.29Å |
| 221 | F | 89.9 | Confident | 86.3 | Confident | 82 Ų | 82 | 58.3 Ų | 58.3 | 36% | 0.36 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -17.9 | 173.6 | 78.6 | -95.1 | 0 | 0 | 0 | 113.3 | F217 Y218 A241 W243 L244 | F217-F221 HydrophobicContact CB-CD1 4.02Å; F217-F221 HydrophobicContact CB-CE1 4.27Å; Y218-F221 WeakPolarHBondContact O-CB 3.46Å; Y218-F221 WeakPolarHBondContact O-CD1 3.47Å; Y218-F221 PolarHBondContact O-N 3.42Å; Y218-F221 VanDerWaalsContact O-N 3.12Å; F221-A241 HydrophobicContact CD1-CB 4.12Å; F221-A241 HydrophobicContact CE1-CB 3.86Å; F221-W243 HydrophobicContact CE1-CH2 4.36Å; F221-W243 AromaticContact CE1-CZ2 3.78Å; F221-W243 HydrophobicContact CE1-CZ2 3.78Å; F221-W243 HydrophobicContact CZ-CH2 4.2Å; F221-W243 HydrophobicContact CZ-CZ2 4.05Å; F221-L244 HydrophobicContact CE1-CD2 4.28Å; F221-L244 HydrophobicContact CZ-CD2 4.22Å |
| 222 | D | 88.6 | Confident | 85.7 | Confident | 71 Ų | 71 | 64.7 Ų | 64.7 | 38% | 0.38 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -20.3 | 175.1 | 64.7 | -57.3 | 0 | 0 | 0 | 113.1 | H110 D220 W243 | H110-D222 IonicContact CE1-OD1 2.82Å; H110-D222 IonicContact NE2-OD1 3.13Å; H110-D222 PolarHBondContact NE2-OD1 3.2Å; H110-D222 IonicContact NE2-OD2 3.5Å; H110-D222 PolarHBondContact NE2-OD2 3.47Å; D220-D222 WeakPolarHBondContact CA-OD1 3.47Å; D220-D222 PolarHBondContact O-N 2.84Å; D220-D222 VanDerWaalsContact O-N 3.12Å; D222-W243 HydrophobicContact CB-CZ2 4.33Å |
| 223 | K | 85.8 | Confident | 85.1 | Confident | 78 Ų | 78 | 68 Ų | 68 | 34% | 0.339 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -25.5 | -177.4 | -52.4 | 179.4 | -175.5 | 171.4 | 0 | 113 | H110 S113 D220 | H110-K223 PolarHBondContact O-NZ 2.99Å; S113-K223 PolarHBondContact O-NZ 3.04Å; D220-K223 HydrophobicContact CB-CB 4.19Å; D220-K223 HydrophobicContact CB-CD 4.24Å; D220-K223 HydrophobicContact CB-CG 4.34Å; D220-K223 PolarHBondContact O-N 3.31Å; D220-K223 IonicContact OD1-NZ 2.88Å |
| 224 | L | 83.3 | Confident | 84.5 | Confident | 28 Ų | 28 | 68.7 Ų | 68.7 | 15% | 0.147 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -118.3 | 140.8 | -175.6 | -63.6 | 171.5 | 0 | 0 | 0 | 111.9 | M121 Y218 D220 I229 | M121-L224 HydrophobicContact CE-CD1 4.01Å; Y218-L224 HydrophobicContact CE1-CD1 4.28Å; D220-L224 PolarHBondContact O-N 3.29Å; L224-I229 HydrophobicContact CB-CG1 4.5Å |
| 225 | P | 80.7 | Confident | 84 | Confident | 72 Ų | 72 | 69.2 Ų | 69.2 | 47% | 0.468 | 33% | 0.334 | S | S | . | . | trans | -68.2 | 150.8 | 171.3 | 29.8 | -33.3 | 0 | 0 | 0 | 111 | G227 E228 | P225-G227 PolarHBondContact O-N 3.46Å; P225-E228 HydrophobicContact CG-CB 4.31Å; P225-E228 VanDerWaalsContact CG-CD 3.41Å; P225-E228 HydrophobicContact CG-CG 3.85Å; P225-E228 WeakPolarHBondContact CG-OE1 3.48Å; P225-E228 PolarHBondContact O-N 3.08Å | ||
| 226 | R | 73.2 | Confident | 83.5 | Confident | 235 Ų | 235 | 71 Ų | 71 | 89% | 0.887 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -56.4 | -29.5 | -174.5 | -67.9 | -175.9 | -175.9 | 178.9 | 2.4 | 114.4 | E228 I229 | R226-E228 VanDerWaalsContact C-N 3.28Å; R226-E228 PolarHBondContact O-N 3.48Å; R226-I229 PolarHBondContact O-N 3.49Å |
| 227 | G | 67.5 | Low | 83.3 | Confident | 75 Ų | 75 | 66 Ų | 66 | 77% | 0.773 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -70.2 | -21 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P225 | P225-G227 PolarHBondContact O-N 3.46Š|
| 228 | E | 71.9 | Confident | 83.2 | Confident | 101 Ų | 101 | 62.7 Ų | 62.7 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -90.4 | -6.6 | 178.7 | -69 | 173.8 | -152.9 | 0 | 0 | 112.5 | P225 R226 E230 | P225-E228 HydrophobicContact CG-CB 4.31Å; P225-E228 VanDerWaalsContact CG-CD 3.41Å; P225-E228 HydrophobicContact CG-CG 3.85Å; P225-E228 WeakPolarHBondContact CG-OE1 3.48Å; P225-E228 PolarHBondContact O-N 3.08Å; R226-E228 VanDerWaalsContact C-N 3.28Å; R226-E228 PolarHBondContact O-N 3.48Å; E228-E230 PolarHBondContact O-N 2.9Å |
| 229 | I | 77.4 | Confident | 83.2 | Confident | 37 Ų | 37 | 62.3 Ų | 62.3 | 19% | 0.19 | 31% | 0.308 | C | S | . | . | trans | -88.5 | 89 | 179.2 | -53.9 | 174.4 | 0 | 0 | 0 | 108.7 | Y218 L224 R226 L231 | Y218-I229 HydrophobicContact CD1-CD1 4.08Å; Y218-I229 HydrophobicContact CD1-CG1 4.23Å; Y218-I229 HydrophobicContact CD1-CG2 4.11Å; Y218-I229 HydrophobicContact CD2-CG2 4.27Å; Y218-I229 HydrophobicContact CG-CD1 4.48Å; Y218-I229 HydrophobicContact CG-CG2 3.86Å; L224-I229 HydrophobicContact CB-CG1 4.5Å; R226-I229 PolarHBondContact O-N 3.49Å; I229-L231 VanDerWaalsContact C-N 3.34Å | ||
| 230 | E | 72.5 | Confident | 83.2 | Confident | 85 Ų | 85 | 62.3 Ų | 62.3 | 40% | 0.397 | 31% | 0.308 | S | S | . | . | trans | -84.4 | -6.9 | -177.5 | -64 | -178.6 | 176 | 0 | 0 | 114 | E228 | E228-E230 PolarHBondContact O-N 2.9Š| ||
| 231 | L | 80.9 | Confident | 83.4 | Confident | 13 Ų | 13 | 62.3 Ų | 62.3 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | trans | -88 | 139.3 | -174 | -64.9 | 172.5 | 0 | 0 | 0 | 112.8 | Y118 Y218 I229 D235 R237 W238 | Y118-L231 HydrophobicContact CD1-CD1 4Å; Y118-L231 HydrophobicContact CD2-CD1 4.35Å; Y118-L231 HydrophobicContact CD2-CD2 4.46Å; Y118-L231 HydrophobicContact CE1-CD1 3.7Å; Y118-L231 HydrophobicContact CE1-CG 4.32Å; Y118-L231 HydrophobicContact CE2-CD1 4.07Å; Y118-L231 HydrophobicContact CE2-CD2 3.98Å; Y118-L231 HydrophobicContact CE2-CG 4.11Å; Y118-L231 HydrophobicContact CG-CD1 4.32Å; Y218-L231 HydrophobicContact CE2-CD1 3.79Å; I229-L231 VanDerWaalsContact C-N 3.34Å; L231-D235 HydrophobicContact CD2-CB 4.34Å; L231-D235 WeakPolarHBondContact CD2-OD2 3.09Å; L231-R237 HydrophobicContact CD1-CB 4.33Å; L231-R237 HydrophobicContact CD2-CB 4.26Å; L231-W238 HydrophobicContact CB-CE3 4.05Å; L231-W238 VanDerWaalsContact O-CZ3 3.27Å; L231-W238 WeakPolarHBondContact O-CZ3 3.21Å | ||
| 232 | E | 82.6 | Confident | 83.7 | Confident | 133 Ų | 133 | 58.4 Ų | 58.4 | 62% | 0.621 | 29% | 0.291 | S | S | * | . | trans | -94.5 | 157.6 | 169.9 | -62.5 | -171.2 | 170.9 | 0 | 0 | 112 | K234 D235 | E232-K234 PolarHBondContact O-N 3.44Å; E232-K234 VanDerWaalsContact O-N 3.09Å; E232-D235 VanDerWaalsContact O-CB 3.26Å; E232-D235 WeakPolarHBondContact O-CB 3.41Å; E232-D235 PolarHBondContact O-N 3.1Å | ||
| 233 | Q | 84.2 | Confident | 84 | Confident | 71 Ų | 71 | 55.8 Ų | 55.8 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -21.7 | -179.2 | -68.7 | 179.6 | 4.5 | 0 | 0 | 114.5 | R216 W238 T348 | R216-Q233 PolarHBondContact O-NE2 3.37Å; Q233-W238 HydrophobicContact CG-CD2 4.35Å; Q233-W238 HydrophobicContact CG-CH2 4.12Å; Q233-W238 HydrophobicContact CG-CZ2 3.84Å; Q233-W238 HydrophobicContact CG-CZ3 4.49Å; Q233-T348 HydrophobicContact CB-CG2 4.33Å |
| 234 | K | 84.4 | Confident | 84.5 | Confident | 130 Ų | 130 | 53.9 Ų | 53.9 | 57% | 0.565 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -15.4 | 178.6 | -163.8 | 178.1 | 177.2 | -170.9 | 0 | 112.3 | E232 T348 | E232-K234 PolarHBondContact O-N 3.44Å; E232-K234 VanDerWaalsContact O-N 3.09Å; K234-T348 HydrophobicContact CB-CG2 4.47Å |
| 235 | D | 84.6 | Confident | 85.1 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 13% | 0.134 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -64.4 | 136.9 | 179.5 | -165.3 | -49.6 | 0 | 0 | 0 | 110.6 | L231 E232 R237 W238 | L231-D235 HydrophobicContact CD2-CB 4.34Å; L231-D235 WeakPolarHBondContact CD2-OD2 3.09Å; E232-D235 VanDerWaalsContact O-CB 3.26Å; E232-D235 WeakPolarHBondContact O-CB 3.41Å; E232-D235 PolarHBondContact O-N 3.1Å; D235-R237 PolarHBondContact O-N 3.31Å; D235-R237 VanDerWaalsContact OD1-CB 3.26Å; D235-R237 WeakPolarHBondContact OD1-CB 3.47Å; D235-R237 WeakPolarHBondContact OD1-CG 3.14Å; D235-R237 PolarHBondContact OD1-N 2.87Å; D235-R237 IonicContact OD1-NE 3.34Å; D235-R237 PolarHBondContact OD1-NE 3.24Å; D235-R237 VanDerWaalsContact OD1-NE 3.11Å; D235-R237 IonicContact OD2-CZ 3.75Å; D235-R237 IonicContact OD2-NE 3.29Å; D235-R237 PolarHBondContact OD2-NE 3.38Å; D235-R237 IonicContact OD2-NH2 3.73Å; D235-R237 PolarHBondContact OD2-NH2 3.09Å; D235-W238 VanDerWaalsContact O-CB 3.26Å; D235-W238 WeakPolarHBondContact O-CB 3.25Å; D235-W238 PolarHBondContact O-N 2.98Å |
| 236 | L | 85 | Confident | 85.9 | Confident | 37 Ų | 37 | 49.2 Ų | 49.2 | 19% | 0.194 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.6 | 177.6 | -67.8 | -177.5 | 0 | 0 | 0 | 112.6 | R52 F437 P439 T487 Y576 | R52-L236 PolarHBondContact NH1-O 3.41Å; R52-L236 VanDerWaalsContact NH1-O 3.17Å; L236-F437 HydrophobicContact CB-CE1 3.99Å; L236-F437 HydrophobicContact CB-CZ 4.26Å; L236-F437 HydrophobicContact CD1-CZ 3.97Å; L236-P439 HydrophobicContact CB-CG 4.41Å; L236-P439 HydrophobicContact CD1-CG 4.16Å; L236-P439 HydrophobicContact CG-CG 4.5Å; L236-T487 HydrophobicContact CD1-CG2 3.61Å; L236-T487 HydrophobicContact CG-CG2 3.82Å; L236-Y576 HydrophobicContact CD1-CE1 3.99Å |
| 237 | R | 88.3 | Confident | 87 | Confident | 20 Ų | 20 | 40.2 Ų | 40.2 | 8% | 0.075 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -10.8 | 178.1 | -58.5 | 172.6 | -68 | 171.3 | 2.8 | 113.1 | Y116 D120 L231 D235 V239 F437 N438 | Y116-R237 WeakPolarHBondContact CE1-O 3.41Å; Y116-R237 PolarHBondContact OH-O 2.96Å; Y116-R237 VanDerWaalsContact OH-O 3.11Å; D120-R237 IonicContact OD2-CZ 3.28Å; D120-R237 IonicContact OD2-NH1 3.82Å; D120-R237 PolarHBondContact OD2-NH1 3.45Å; D120-R237 IonicContact OD2-NH2 3.11Å; L231-R237 HydrophobicContact CD1-CB 4.33Å; L231-R237 HydrophobicContact CD2-CB 4.26Å; D235-R237 PolarHBondContact O-N 3.31Å; D235-R237 VanDerWaalsContact OD1-CB 3.26Å; D235-R237 WeakPolarHBondContact OD1-CB 3.47Å; D235-R237 WeakPolarHBondContact OD1-CG 3.14Å; D235-R237 PolarHBondContact OD1-N 2.87Å; D235-R237 IonicContact OD1-NE 3.34Å; D235-R237 PolarHBondContact OD1-NE 3.24Å; D235-R237 VanDerWaalsContact OD1-NE 3.11Å; D235-R237 IonicContact OD2-CZ 3.75Å; D235-R237 IonicContact OD2-NE 3.29Å; D235-R237 PolarHBondContact OD2-NE 3.38Å; D235-R237 IonicContact OD2-NH2 3.73Å; D235-R237 PolarHBondContact OD2-NH2 3.09Å; R237-V239 PolarHBondContact O-N 3.47Å; R237-F437 WeakPolarHBondContact CD-O 3.3Å; R237-F437 HydrophobicContact CG-CD1 4.02Å; R237-F437 HydrophobicContact CG-CE1 4.26Å; R237-N438 PolarHBondContact NH1-ND2 3.49Å; R237-N438 PolarHBondContact NH1-OD1 3.02Å; R237-N438 PolarHBondContact NH2-OD1 3.32Å; R237-N438 VanDerWaalsContact NH2-OD1 3.15Å |
| 238 | W | 90.9 | Very high | 88.4 | Confident | 16 Ų | 16 | 40.2 Ų | 40.2 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | trans | -61.8 | 133.1 | -179.7 | -179.5 | -90.2 | 0 | 0 | 0 | 112 | R52 M215 R216 Y218 L231 Q233 D235 | R52-W238 PolarHBondContact NH1-O 3.29Å; M215-W238 PolarHBondContact O-NE1 3.04Å; R216-W238 VanDerWaalsContact O-CZ2 3.27Å; R216-W238 WeakPolarHBondContact O-CZ2 3.42Å; Y218-W238 HydrophobicContact CD2-CD2 4.38Å; Y218-W238 AromaticContact CD2-CE3 3.93Å; Y218-W238 HydrophobicContact CD2-CE3 3.93Å; Y218-W238 HydrophobicContact CD2-CH2 4.24Å; Y218-W238 AromaticContact CD2-CZ3 3.85Å; Y218-W238 HydrophobicContact CD2-CZ3 3.85Å; Y218-W238 HydrophobicContact CG-CH2 4.43Å; Y218-W238 HydrophobicContact CG-CZ3 4.36Å; L231-W238 HydrophobicContact CB-CE3 4.05Å; L231-W238 VanDerWaalsContact O-CZ3 3.27Å; L231-W238 WeakPolarHBondContact O-CZ3 3.21Å; Q233-W238 HydrophobicContact CG-CD2 4.35Å; Q233-W238 HydrophobicContact CG-CH2 4.12Å; Q233-W238 HydrophobicContact CG-CZ2 3.84Å; Q233-W238 HydrophobicContact CG-CZ3 4.49Å; D235-W238 VanDerWaalsContact O-CB 3.26Å; D235-W238 WeakPolarHBondContact O-CB 3.25Å; D235-W238 PolarHBondContact O-N 2.98Å | ||
| 239 | V | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -125.8 | 120.7 | 173.5 | -179.6 | 0 | 0 | 0 | 0 | 106.9 | T49 R52 R53 Y116 V219 R237 | T49-V239 HydrophobicContact CG2-CB 4.25Å; T49-V239 HydrophobicContact CG2-CG1 3.33Å; R52-V239 HydrophobicContact CB-CG2 4.02Å; R53-V239 HydrophobicContact CB-CG1 3.95Å; Y116-V239 HydrophobicContact CD1-CG2 4.15Å; Y116-V239 HydrophobicContact CD2-CG2 4.42Å; Y116-V239 HydrophobicContact CE1-CB 4.38Å; Y116-V239 HydrophobicContact CE1-CG2 3.63Å; Y116-V239 HydrophobicContact CE2-CG2 3.93Å; Y116-V239 VanDerWaalsContact CZ-CG2 3.5Å; V219-V239 HydrophobicContact CB-CB 4.04Å; V219-V239 HydrophobicContact CB-CG1 3.65Å; V219-V239 WeakPolarHBondContact CB-O 3.42Å; V219-V239 HydrophobicContact CG1-CB 3.83Å; V219-V239 HydrophobicContact CG1-CG1 3.75Å; V219-V239 HydrophobicContact CG2-CG1 3.85Å; V219-V239 PolarHBondContact N-O 3.35Å; R237-V239 PolarHBondContact O-N 3.47Å | ||
| 240 | G | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -76.1 | 162.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | T49 F217 V219 W242 | T49-G240 WeakPolarHBondContact CG2-O 3.33Å; F217-G240 CarbonylContact O-C 3.27Å; F217-G240 VanDerWaalsContact O-CA 3.28Å; F217-G240 WeakPolarHBondContact O-CA 3.36Å; V219-G240 WeakPolarHBondContact CB-O 3.47Å; V219-G240 VanDerWaalsContact CG2-O 3.32Å; V219-G240 WeakPolarHBondContact CG2-O 3.46Å; G240-W242 PolarHBondContact O-N 2.93Å |
| 241 | A | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -72.6 | 68.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y42 F217 F221 W243 L244 | Y42-A241 PolarHBondContact OH-O 2.95Å; F217-A241 HydrophobicContact CB-CB 3.95Å; F217-A241 PolarHBondContact O-N 3.01Å; F221-A241 HydrophobicContact CD1-CB 4.12Å; F221-A241 HydrophobicContact CE1-CB 3.86Å; A241-W243 VanDerWaalsContact C-N 3.29Å; A241-W243 PolarHBondContact O-N 3.09Å; A241-L244 HydrophobicContact CB-CB 4.37Å; A241-L244 PolarHBondContact O-N 3.25Å | ||
| 242 | W | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.2 | -22.7 | -176.3 | 66 | -91.4 | 0 | 0 | 0 | 114.6 | Y42 T49 I50 R53 Y54 M106 P109 H110 M215 G240 F246 | Y42-W242 WeakPolarHBondContact CE1-O 3.41Å; Y42-W242 VanDerWaalsContact OH-C 3.28Å; Y42-W242 WeakPolarHBondContact OH-CA 3.43Å; Y42-W242 PolarHBondContact OH-O 2.92Å; T49-W242 HydrophobicContact CG2-CB 3.98Å; T49-W242 HydrophobicContact CG2-CG 4.15Å; I50-W242 HydrophobicContact CD1-CD2 4.45Å; I50-W242 HydrophobicContact CD1-CE3 4.04Å; I50-W242 HydrophobicContact CG1-CB 4.39Å; I50-W242 HydrophobicContact CG1-CD2 3.87Å; I50-W242 HydrophobicContact CG1-CE3 3.96Å; I50-W242 HydrophobicContact CG1-CG 4.04Å; R53-W242 VanDerWaalsContact CD-NE1 3.33Å; Y54-W242 HydrophobicContact CE2-CH2 4.28Å; Y54-W242 AromaticContact CE2-CZ2 3.61Å; Y54-W242 HydrophobicContact CE2-CZ2 3.61Å; M106-W242 WeakPolarHBondContact O-CZ3 3.38Å; P109-W242 HydrophobicContact CB-CH2 4.01Å; P109-W242 HydrophobicContact CG-CH2 4.26Å; H110-W242 HydrophobicContact CB-CH2 4.27Å; H110-W242 HydrophobicContact CB-CZ2 3.85Å; M215-W242 HydrophobicContact CE-CB 3.67Å; M215-W242 HydrophobicContact SD-CB 4.17Å; G240-W242 PolarHBondContact O-N 2.93Å; W242-F246 HydrophobicContact CE3-CD2 4.07Å; W242-F246 AromaticContact CE3-CE2 3.82Å; W242-F246 HydrophobicContact CE3-CE2 3.82Å; W242-F246 HydrophobicContact CZ3-CD2 4.15Å; W242-F246 HydrophobicContact CZ3-CE2 4.05Å; W242-F246 VanDerWaalsContact O-CD2 3.31Å; W242-F246 WeakPolarHBondContact O-CD2 3.31Å |
| 243 | W | 95.8 | Very high | 92.9 | Very high | 16 Ų | 16 | 29.3 Ų | 29.3 | 6% | 0.061 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -76.3 | -29 | 179.2 | 57.5 | -92.4 | 0 | 0 | 0 | 111.8 | A107 H110 F111 V219 F221 D222 A241 G245 F246 L247 | A107-W243 HydrophobicContact CB-CB 4.42Å; H110-W243 HydrophobicContact CB-CB 3.67Å; H110-W243 HydrophobicContact CB-CG 3.71Å; H110-W243 AromaticContact CD2-CD1 3.53Å; H110-W243 AromaticContact CD2-CD2 3.67Å; H110-W243 AromaticContact CD2-CE2 3.57Å; H110-W243 AromaticContact CD2-CG 3.65Å; H110-W243 AromaticContact CD2-NE1 3.48Å; H110-W243 PolarHBondContact CD2-NE1 2.99Å; H110-W243 AromaticContact CE1-CD1 3.65Å; H110-W243 AromaticContact CE1-CE2 3.9Å; H110-W243 AromaticContact CE1-NE1 3.22Å; H110-W243 PolarHBondContact CE1-NE1 3.26Å; H110-W243 AromaticContact CG-CD1 3.19Å; H110-W243 AromaticContact CG-CG 3.51Å; H110-W243 AromaticContact CG-NE1 3.54Å; H110-W243 AromaticContact ND1-CD1 3.28Å; H110-W243 VanDerWaalsContact ND1-CD1 3.28Å; H110-W243 AromaticContact ND1-NE1 3.4Å; H110-W243 PolarHBondContact ND1-NE1 3.18Å; H110-W243 AromaticContact NE2-CD1 3.82Å; H110-W243 AromaticContact NE2-CE2 3.49Å; H110-W243 AromaticContact NE2-CZ2 3.85Å; H110-W243 AromaticContact NE2-NE1 3.3Å; H110-W243 PolarHBondContact NE2-NE1 3.45Å; F111-W243 HydrophobicContact CE1-CZ3 4.38Å; F111-W243 HydrophobicContact CE2-CE3 4.28Å; F111-W243 HydrophobicContact CZ-CD2 4.43Å; F111-W243 AromaticContact CZ-CE3 3.71Å; F111-W243 HydrophobicContact CZ-CE3 3.71Å; F111-W243 AromaticContact CZ-CZ3 3.79Å; F111-W243 HydrophobicContact CZ-CZ3 3.79Å; V219-W243 PolarHBondContact O-NE1 3.48Å; F221-W243 HydrophobicContact CE1-CH2 4.36Å; F221-W243 AromaticContact CE1-CZ2 3.78Å; F221-W243 HydrophobicContact CE1-CZ2 3.78Å; F221-W243 HydrophobicContact CZ-CH2 4.2Å; F221-W243 HydrophobicContact CZ-CZ2 4.05Å; D222-W243 HydrophobicContact CB-CZ2 4.33Å; A241-W243 VanDerWaalsContact C-N 3.29Å; A241-W243 PolarHBondContact O-N 3.09Å; W243-G245 PolarHBondContact O-N 2.89Å; W243-F246 WeakPolarHBondContact O-CB 3.37Å; W243-F246 PolarHBondContact O-N 3.47Å; W243-L247 HydrophobicContact CE3-CD1 3.64Å; W243-L247 HydrophobicContact CE3-CG 4.33Å; W243-L247 HydrophobicContact CZ3-CD1 3.51Å; W243-L247 PolarHBondContact O-N 3.39Å |
| 244 | L | 95.8 | Very high | 93.6 | Very high | 38 Ų | 38 | 30.5 Ų | 30.5 | 20% | 0.199 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.3 | -38.2 | -172.4 | -177.9 | 57 | 0 | 0 | 0 | 112.1 | L214 F221 A241 F246 L247 V248 | L214-L244 HydrophobicContact CD1-CG 4.43Å; L214-L244 HydrophobicContact CD2-CD2 3.85Å; L214-L244 HydrophobicContact CD2-CG 4.18Å; F221-L244 HydrophobicContact CE1-CD2 4.28Å; F221-L244 HydrophobicContact CZ-CD2 4.22Å; A241-L244 HydrophobicContact CB-CB 4.37Å; A241-L244 PolarHBondContact O-N 3.25Å; L244-F246 VanDerWaalsContact C-N 3.3Å; L244-F246 PolarHBondContact O-N 3.16Å; L244-L247 WeakPolarHBondContact O-CB 3.41Å; L244-L247 PolarHBondContact O-N 3.23Å; L244-L247 VanDerWaalsContact O-N 3.16Å; L244-V248 WeakPolarHBondContact O-CG2 3.24Å; L244-V248 PolarHBondContact O-N 3.44Å |
| 245 | G | 95.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72.8 | -24.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y42 W243 L247 V248 A249 | Y42-G245 VanDerWaalsContact CE1-CA 3.5Å; Y42-G245 WeakPolarHBondContact OH-CA 3.28Å; Y42-G245 PolarHBondContact OH-N 3.06Å; W243-G245 PolarHBondContact O-N 2.89Å; G245-L247 VanDerWaalsContact C-N 3.32Å; G245-V248 PolarHBondContact O-N 3.46Å; G245-A249 WeakPolarHBondContact O-CB 3.13Å; G245-A249 PolarHBondContact O-N 3.08Å |
| 246 | F | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.5 | -31.7 | 170.2 | -70.3 | -59.1 | 0 | 0 | 0 | 112.3 | V39 Y42 M43 S103 M106 A107 W242 W243 L244 S250 | V39-F246 HydrophobicContact CG1-CD1 4.41Å; V39-F246 HydrophobicContact CG1-CE1 4.36Å; Y42-F246 AromaticContact CD1-CD1 3.94Å; Y42-F246 HydrophobicContact CD1-CD1 3.94Å; Y42-F246 HydrophobicContact CD1-CD2 4.35Å; Y42-F246 AromaticContact CD1-CE1 3.79Å; Y42-F246 HydrophobicContact CD1-CE1 3.79Å; Y42-F246 HydrophobicContact CD1-CE2 4.22Å; Y42-F246 HydrophobicContact CD1-CG 4.19Å; Y42-F246 AromaticContact CD1-CZ 3.92Å; Y42-F246 HydrophobicContact CD1-CZ 3.92Å; Y42-F246 HydrophobicContact CE1-CD1 4.26Å; Y42-F246 AromaticContact CE1-CD2 3.89Å; Y42-F246 HydrophobicContact CE1-CD2 3.89Å; Y42-F246 HydrophobicContact CE1-CE1 4.29Å; Y42-F246 AromaticContact CE1-CE2 3.92Å; Y42-F246 HydrophobicContact CE1-CE2 3.92Å; Y42-F246 HydrophobicContact CE1-CG 4.04Å; Y42-F246 HydrophobicContact CE1-CZ 4.11Å; M43-F246 HydrophobicContact CB-CE1 4.36Å; M43-F246 HydrophobicContact CB-CZ 4.29Å; M43-F246 HydrophobicContact SD-CE1 4.39Å; M43-F246 HydrophobicContact SD-CZ 3.63Å; S103-F246 WeakPolarHBondContact O-CB 3.41Å; S103-F246 PolarHBondContact OG-O 3.41Å; S103-F246 VanDerWaalsContact OG-O 3.08Å; M106-F246 HydrophobicContact CB-CD1 3.89Å; M106-F246 HydrophobicContact CB-CD2 4.03Å; M106-F246 HydrophobicContact CB-CE1 4.03Å; M106-F246 HydrophobicContact CB-CE2 4.16Å; M106-F246 HydrophobicContact CB-CG 3.91Å; M106-F246 HydrophobicContact CB-CZ 4.18Å; M106-F246 HydrophobicContact CE-CE1 4.45Å; M106-F246 HydrophobicContact CE-CE2 4.39Å; M106-F246 HydrophobicContact CE-CZ 3.96Å; M106-F246 HydrophobicContact CG-CE1 4.4Å; A107-F246 HydrophobicContact CB-CB 3.95Å; W242-F246 HydrophobicContact CE3-CD2 4.07Å; W242-F246 AromaticContact CE3-CE2 3.82Å; W242-F246 HydrophobicContact CE3-CE2 3.82Å; W242-F246 HydrophobicContact CZ3-CD2 4.15Å; W242-F246 HydrophobicContact CZ3-CE2 4.05Å; W242-F246 VanDerWaalsContact O-CD2 3.31Å; W242-F246 WeakPolarHBondContact O-CD2 3.31Å; W243-F246 WeakPolarHBondContact O-CB 3.37Å; W243-F246 PolarHBondContact O-N 3.47Å; L244-F246 VanDerWaalsContact C-N 3.3Å; L244-F246 PolarHBondContact O-N 3.16Å; F246-S250 WeakPolarHBondContact O-CB 3.3Å; F246-S250 PolarHBondContact O-N 2.95Å; F246-S250 PolarHBondContact O-OG 3.18Å |
| 247 | L | 96.9 | Very high | 95.3 | Very high | 47 Ų | 47 | 27.3 Ų | 27.3 | 25% | 0.246 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71.5 | -43.4 | 172.6 | -60 | -177.4 | 0 | 0 | 0 | 112 | L104 A107 F111 W243 L244 G245 S250 S251 | L104-L247 HydrophobicContact CD2-CD2 3.85Å; A107-L247 HydrophobicContact CB-CD2 3.81Å; A107-L247 HydrophobicContact CB-CG 4.22Å; F111-L247 HydrophobicContact CZ-CD1 4.21Å; W243-L247 HydrophobicContact CE3-CD1 3.64Å; W243-L247 HydrophobicContact CE3-CG 4.33Å; W243-L247 HydrophobicContact CZ3-CD1 3.51Å; W243-L247 PolarHBondContact O-N 3.39Å; L244-L247 WeakPolarHBondContact O-CB 3.41Å; L244-L247 PolarHBondContact O-N 3.23Å; L244-L247 VanDerWaalsContact O-N 3.16Å; G245-L247 VanDerWaalsContact C-N 3.32Å; L247-S250 WeakPolarHBondContact CA-OG 3.43Å; L247-S250 PolarHBondContact O-OG 2.83Å; L247-S251 WeakPolarHBondContact O-CB 3.43Å; L247-S251 PolarHBondContact O-N 2.82Å; L247-S251 PolarHBondContact O-OG 2.87Å |
| 248 | V | 96.2 | Very high | 95.6 | Very high | 74 Ų | 74 | 29.5 Ų | 29.5 | 45% | 0.448 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.8 | -47.1 | 175.7 | 175 | 0 | 0 | 0 | 0 | 110.5 | L244 G245 S251 F252 | L244-V248 WeakPolarHBondContact O-CG2 3.24Å; L244-V248 PolarHBondContact O-N 3.44Å; G245-V248 PolarHBondContact O-N 3.46Å; V248-S251 PolarHBondContact O-N 3.25Å; V248-F252 PolarHBondContact O-N 3.12Å; V248-F252 VanDerWaalsContact O-N 3.09Å |
| 249 | A | 95.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.9 | -38.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L38 V39 G245 F252 L253 | L38-A249 HydrophobicContact CD2-CB 3.56Å; V39-A249 HydrophobicContact CG2-CB 3.62Å; G245-A249 WeakPolarHBondContact O-CB 3.13Å; G245-A249 PolarHBondContact O-N 3.08Å; A249-F252 PolarHBondContact O-N 3Å; A249-L253 WeakPolarHBondContact O-CB 3.4Å; A249-L253 PolarHBondContact O-N 2.9Å |
| 250 | S | 96.9 | Very high | 96 | Very high | 3 Ų | 3 | 30 Ų | 30 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.3 | -40.5 | 174.1 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | C100 L104 F246 L247 F252 L253 F254 | C100-S250 PolarHBondContact SG-O 3.31Å; C100-S250 VanDerWaalsContact SG-O 3.36Å; L104-S250 VanDerWaalsContact CD2-OG 3.24Å; L104-S250 WeakPolarHBondContact CD2-OG 3.49Å; F246-S250 WeakPolarHBondContact O-CB 3.3Å; F246-S250 PolarHBondContact O-N 2.95Å; F246-S250 PolarHBondContact O-OG 3.18Å; L247-S250 WeakPolarHBondContact CA-OG 3.43Å; L247-S250 PolarHBondContact O-OG 2.83Å; S250-F252 VanDerWaalsContact C-N 3.32Å; S250-F252 PolarHBondContact O-N 3.22Å; S250-L253 PolarHBondContact O-N 2.62Å; S250-F254 WeakPolarHBondContact O-CB 3.44Å; S250-F254 PolarHBondContact O-N 3.05Å |
| 251 | S | 96.9 | Very high | 95.9 | Very high | 70 Ų | 70 | 35.1 Ų | 35.1 | 49% | 0.49 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -59.1 | -44.9 | 174.3 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | L247 V248 F254 L255 | L247-S251 WeakPolarHBondContact O-CB 3.43Å; L247-S251 PolarHBondContact O-N 2.82Å; L247-S251 PolarHBondContact O-OG 2.87Å; V248-S251 PolarHBondContact O-N 3.25Å; S251-F254 PolarHBondContact O-N 3.38Å; S251-L255 VanDerWaalsContact O-CG 3.32Å; S251-L255 WeakPolarHBondContact O-CG 3.5Å; S251-L255 PolarHBondContact O-N 3.31Å; S251-L255 VanDerWaalsContact O-N 3.07Å |
| 252 | F | 96.3 | Very high | 95.9 | Very high | 67 Ų | 67 | 41.3 Ų | 41.3 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.4 | -38.9 | 177.4 | -175.3 | -128.5 | 0 | 0 | 0 | 112.9 | L34 A35 V248 A249 S250 L255 T256 | L34-F252 HydrophobicContact CD2-CE1 3.55Å; L34-F252 HydrophobicContact CD2-CZ 4.14Å; A35-F252 HydrophobicContact CB-CD1 3.35Å; A35-F252 HydrophobicContact CB-CE1 3.43Å; A35-F252 VanDerWaalsContact CB-CE1 3.43Å; A35-F252 HydrophobicContact CB-CG 4.2Å; A35-F252 HydrophobicContact CB-CZ 4.34Å; V248-F252 PolarHBondContact O-N 3.12Å; V248-F252 VanDerWaalsContact O-N 3.09Å; A249-F252 PolarHBondContact O-N 3Å; S250-F252 VanDerWaalsContact C-N 3.32Å; S250-F252 PolarHBondContact O-N 3.22Å; F252-L255 PolarHBondContact O-N 3.48Å; F252-T256 HydrophobicContact CD2-CG2 4.25Å; F252-T256 HydrophobicContact CE2-CG2 3.85Å; F252-T256 HydrophobicContact CZ-CG2 4.07Å; F252-T256 WeakPolarHBondContact O-CG2 3.29Å; F252-T256 PolarHBondContact O-N 2.92Å; F252-T256 PolarHBondContact O-OG1 3.46Å |
| 253 | L | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 172.2 | -90.1 | 172.7 | 0 | 0 | 0 | 112.6 | L32 A35 Q36 V39 A99 C100 A249 S250 T256 A257 | L32-L253 HydrophobicContact CD1-CD2 3.97Å; A35-L253 HydrophobicContact CB-CD2 3.69Å; A35-L253 HydrophobicContact CB-CG 3.9Å; Q36-L253 HydrophobicContact CB-CD2 4.09Å; V39-L253 HydrophobicContact CG2-CD1 3.51Å; V39-L253 HydrophobicContact CG2-CG 4.43Å; A99-L253 HydrophobicContact CB-CD1 4.45Å; C100-L253 HydrophobicContact CB-CB 4.21Å; A249-L253 WeakPolarHBondContact O-CB 3.4Å; A249-L253 PolarHBondContact O-N 2.9Å; S250-L253 PolarHBondContact O-N 2.62Å; L253-T256 WeakPolarHBondContact CA-OG1 3.3Å; L253-T256 PolarHBondContact O-N 3.4Å; L253-T256 PolarHBondContact O-OG1 2.8Å; L253-A257 WeakPolarHBondContact O-CB 3.48Å; L253-A257 PolarHBondContact O-N 2.98Å |
| 254 | F | 97.4 | Very high | 95.6 | Very high | 96 Ų | 96 | 42.6 Ų | 42.6 | 42% | 0.421 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.2 | -49.3 | 177.9 | -179.6 | -103.9 | 0 | 0 | 0 | 111 | L97 S250 S251 T256 A257 L258 | L97-F254 HydrophobicContact CD2-CD2 3.87Å; L97-F254 HydrophobicContact CD2-CE2 4.06Å; S250-F254 WeakPolarHBondContact O-CB 3.44Å; S250-F254 PolarHBondContact O-N 3.05Å; S251-F254 PolarHBondContact O-N 3.38Å; F254-T256 VanDerWaalsContact C-N 3.3Å; F254-T256 PolarHBondContact O-N 3.15Å; F254-A257 WeakPolarHBondContact O-CB 3.21Å; F254-A257 PolarHBondContact O-N 3.31Å; F254-A257 VanDerWaalsContact O-N 3.1Å; F254-L258 HydrophobicContact CE1-CD1 4.11Å; F254-L258 HydrophobicContact CE1-CD2 4.27Å; F254-L258 HydrophobicContact CE1-CG 4.4Å; F254-L258 HydrophobicContact CE2-CD2 4.38Å; F254-L258 HydrophobicContact CZ-CD2 3.98Å; F254-L258 PolarHBondContact O-N 3.43Å |
| 255 | L | 97.1 | Very high | 95.3 | Very high | 110 Ų | 110 | 47 Ų | 47 | 58% | 0.576 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -59.7 | -40.5 | 178.2 | -69.1 | 173.5 | 0 | 0 | 0 | 112.4 | S251 F252 A257 P259 | S251-L255 VanDerWaalsContact O-CG 3.32Å; S251-L255 WeakPolarHBondContact O-CG 3.5Å; S251-L255 PolarHBondContact O-N 3.31Å; S251-L255 VanDerWaalsContact O-N 3.07Å; F252-L255 PolarHBondContact O-N 3.48Å; L255-A257 VanDerWaalsContact C-N 3.31Å; L255-A257 PolarHBondContact O-N 3.26Å; L255-P259 WeakPolarHBondContact O-CD 3.5Å |
| 256 | T | 96.3 | Very high | 94.9 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 7% | 0.067 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -76.3 | -16.6 | 178.6 | 53.5 | 0 | 0 | 0 | 0 | 113.6 | L31 A35 F252 L253 F254 P259 | L31-T256 HydrophobicContact CB-CG2 3.84Å; A35-T256 HydrophobicContact CB-CG2 4.49Å; F252-T256 HydrophobicContact CD2-CG2 4.25Å; F252-T256 HydrophobicContact CE2-CG2 3.85Å; F252-T256 HydrophobicContact CZ-CG2 4.07Å; F252-T256 WeakPolarHBondContact O-CG2 3.29Å; F252-T256 PolarHBondContact O-N 2.92Å; F252-T256 PolarHBondContact O-OG1 3.46Å; L253-T256 WeakPolarHBondContact CA-OG1 3.3Å; L253-T256 PolarHBondContact O-N 3.4Å; L253-T256 PolarHBondContact O-OG1 2.8Å; F254-T256 VanDerWaalsContact C-N 3.3Å; F254-T256 PolarHBondContact O-N 3.15Å; T256-P259 WeakPolarHBondContact O-CD 3.13Å |
| 257 | A | 96.6 | Very high | 94.5 | Very high | 4 Ų | 4 | 54 Ų | 54 | 3% | 0.033 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -79.8 | -33 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | A96 L97 L253 F254 L255 P259 Y260 | A96-A257 HydrophobicContact CB-CB 3.68Å; L97-A257 HydrophobicContact CD2-CB 4.05Å; L97-A257 HydrophobicContact CG-CB 4.24Å; L253-A257 WeakPolarHBondContact O-CB 3.48Å; L253-A257 PolarHBondContact O-N 2.98Å; F254-A257 WeakPolarHBondContact O-CB 3.21Å; F254-A257 PolarHBondContact O-N 3.31Å; F254-A257 VanDerWaalsContact O-N 3.1Å; L255-A257 VanDerWaalsContact C-N 3.31Å; L255-A257 PolarHBondContact O-N 3.26Å; A257-P259 VanDerWaalsContact C-CD 3.47Å; A257-Y260 WeakPolarHBondContact O-CB 3.45Å; A257-Y260 PolarHBondContact O-N 3.29Å; A257-Y260 VanDerWaalsContact O-N 3.13Å |
| 258 | L | 95.3 | Very high | 94 | Very high | 65 Ų | 65 | 55.5 Ų | 55.5 | 34% | 0.34 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -55 | -41.8 | -175.7 | -65.4 | 175.6 | 0 | 0 | 0 | 115.1 | F254 Y260 L261 | F254-L258 HydrophobicContact CE1-CD1 4.11Å; F254-L258 HydrophobicContact CE1-CD2 4.27Å; F254-L258 HydrophobicContact CE1-CG 4.4Å; F254-L258 HydrophobicContact CE2-CD2 4.38Å; F254-L258 HydrophobicContact CZ-CD2 3.98Å; F254-L258 PolarHBondContact O-N 3.43Å; L258-Y260 PolarHBondContact O-N 3Å; L258-L261 HydrophobicContact CD2-CD1 4.42Å; L258-L261 WeakPolarHBondContact O-CB 3.32Å; L258-L261 PolarHBondContact O-N 3.29Å; L258-L261 VanDerWaalsContact O-N 3.12Å |
| 259 | P | 95.3 | Very high | 93.5 | Very high | 26 Ų | 26 | 59.1 Ų | 59.1 | 17% | 0.169 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -54.2 | -28.7 | 177.9 | -30.1 | 38 | 0 | 0 | 0 | 114.5 | F19 C28 L255 T256 A257 L261 F262 F263 | F19-P259 HydrophobicContact CE1-CB 4.11Å; C28-P259 HydrophobicContact CB-CB 4.28Å; L255-P259 WeakPolarHBondContact O-CD 3.5Å; T256-P259 WeakPolarHBondContact O-CD 3.13Å; A257-P259 VanDerWaalsContact C-CD 3.47Å; P259-L261 PolarHBondContact O-N 3.23Å; P259-F262 PolarHBondContact O-N 3.32Å; P259-F263 HydrophobicContact CB-CE2 3.9Å; P259-F263 VanDerWaalsContact O-CD2 3.29Å; P259-F263 WeakPolarHBondContact O-CD2 3.38Å; P259-F263 PolarHBondContact O-N 3.23Å |
| 260 | Y | 94.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -70.3 | -13.5 | -177.8 | -73 | -88.4 | 0 | 0 | 0 | 114.8 | F25 H29 L32 P89 I92 A257 L258 F262 F263 | F25-Y260 HydrophobicContact CE2-CD1 4.44Å; F25-Y260 AromaticContact CE2-CE1 3.71Å; F25-Y260 HydrophobicContact CE2-CE1 3.71Å; F25-Y260 HydrophobicContact CZ-CE1 4.12Å; H29-Y260 WeakPolarHBondContact CA-OH 3.35Å; H29-Y260 WeakPolarHBondContact CB-OH 3.31Å; H29-Y260 VanDerWaalsContact CG-OH 3.3Å; H29-Y260 PolarHBondContact ND1-OH 2.6Å; L32-Y260 HydrophobicContact CB-CE2 4.27Å; L32-Y260 HydrophobicContact CD2-CD2 4.14Å; L32-Y260 HydrophobicContact CD2-CE2 3.44Å; L32-Y260 VanDerWaalsContact CD2-CE2 3.44Å; L32-Y260 HydrophobicContact CG-CE2 4.44Å; P89-Y260 HydrophobicContact CB-CD1 4.09Å; P89-Y260 WeakPolarHBondContact O-CB 3.24Å; P89-Y260 VanDerWaalsContact O-CD1 3.3Å; P89-Y260 WeakPolarHBondContact O-CD1 3.47Å; I92-Y260 HydrophobicContact CB-CD1 3.79Å; I92-Y260 HydrophobicContact CB-CE1 3.75Å; I92-Y260 HydrophobicContact CD1-CD1 4.47Å; I92-Y260 HydrophobicContact CD1-CE1 3.88Å; I92-Y260 HydrophobicContact CG1-CE1 4.44Å; I92-Y260 HydrophobicContact CG2-CD1 3.7Å; I92-Y260 HydrophobicContact CG2-CD2 4.45Å; I92-Y260 HydrophobicContact CG2-CE1 3.33Å; I92-Y260 HydrophobicContact CG2-CE2 4.15Å; I92-Y260 HydrophobicContact CG2-CG 4.24Å; A257-Y260 WeakPolarHBondContact O-CB 3.45Å; A257-Y260 PolarHBondContact O-N 3.29Å; A257-Y260 VanDerWaalsContact O-N 3.13Å; L258-Y260 PolarHBondContact O-N 3Å; Y260-F262 VanDerWaalsContact C-N 3.26Å; Y260-F263 HydrophobicContact CD1-CD2 4.27Å; Y260-F263 HydrophobicContact CG-CD2 4.49Å |
| 261 | L | 92.4 | Very high | 91.9 | Very high | 107 Ų | 107 | 67.2 Ų | 67.2 | 56% | 0.56 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -71.7 | -24.4 | 170.3 | -59.3 | 177.4 | 0 | 0 | 0 | 112.1 | L258 P259 | L258-L261 HydrophobicContact CD2-CD1 4.42Å; L258-L261 WeakPolarHBondContact O-CB 3.32Å; L258-L261 PolarHBondContact O-N 3.29Å; L258-L261 VanDerWaalsContact O-N 3.12Å; P259-L261 PolarHBondContact O-N 3.23Å |
| 262 | F | 93.8 | Very high | 90.1 | Very high | 130 Ų | 130 | 69 Ų | 69 | 57% | 0.57 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | -18.3 | -172.4 | -56.1 | -77.1 | 0 | 0 | 0 | 114 | F19 P259 Y260 | F19-F262 HydrophobicContact CB-CB 4.35Å; F19-F262 HydrophobicContact CD1-CB 3.84Å; F19-F262 HydrophobicContact CD2-CB 3.74Å; F19-F262 HydrophobicContact CD2-CG 4.44Å; F19-F262 HydrophobicContact CE1-CB 4.02Å; F19-F262 HydrophobicContact CE1-CD2 4.35Å; F19-F262 HydrophobicContact CE2-CB 3.92Å; F19-F262 HydrophobicContact CE2-CD2 4.46Å; F19-F262 HydrophobicContact CE2-CG 4.16Å; F19-F262 HydrophobicContact CG-CB 3.69Å; F19-F262 HydrophobicContact CZ-CB 4.05Å; F19-F262 HydrophobicContact CZ-CD2 4.08Å; F19-F262 HydrophobicContact CZ-CG 4.2Å; P259-F262 PolarHBondContact O-N 3.32Å; Y260-F262 VanDerWaalsContact C-N 3.26Å |
| 263 | F | 94.1 | Very high | 87.8 | Confident | 5 Ų | 5 | 75 Ų | 75 | 2% | 0.022 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -67.8 | 132.6 | 177 | -76.6 | -63.7 | 0 | 0 | 0 | 111.4 | F19 V24 F25 C28 H87 P89 P259 Y260 M267 | F19-F263 HydrophobicContact CB-CD1 4.03Å; F19-F263 HydrophobicContact CB-CE1 4.16Å; F19-F263 HydrophobicContact CD1-CD1 4.3Å; F19-F263 AromaticContact CD1-CE1 3.99Å; F19-F263 HydrophobicContact CD1-CE1 3.99Å; F19-F263 HydrophobicContact CD1-CE2 4.28Å; F19-F263 AromaticContact CD1-CZ 3.96Å; F19-F263 HydrophobicContact CD1-CZ 3.96Å; F19-F263 VanDerWaalsContact O-CD1 3.25Å; F19-F263 WeakPolarHBondContact O-CD1 3.23Å; V24-F263 HydrophobicContact CG1-CE1 4.46Å; V24-F263 HydrophobicContact CG1-CZ 4.16Å; F25-F263 HydrophobicContact CB-CD1 4.4Å; F25-F263 HydrophobicContact CB-CE1 3.8Å; F25-F263 HydrophobicContact CB-CZ 3.99Å; F25-F263 AromaticContact CD2-CD1 3.94Å; F25-F263 HydrophobicContact CD2-CD1 3.94Å; F25-F263 AromaticContact CD2-CD2 3.92Å; F25-F263 HydrophobicContact CD2-CD2 3.92Å; F25-F263 HydrophobicContact CD2-CE1 4.02Å; F25-F263 HydrophobicContact CD2-CE2 4Å; F25-F263 AromaticContact CD2-CG 3.92Å; F25-F263 HydrophobicContact CD2-CG 3.92Å; F25-F263 HydrophobicContact CD2-CZ 4.06Å; F25-F263 HydrophobicContact CE2-CD2 4.4Å; F25-F263 HydrophobicContact CG-CE1 4.43Å; F25-F263 HydrophobicContact CG-CZ 4.49Å; C28-F263 HydrophobicContact CB-CE2 4.04Å; C28-F263 HydrophobicContact CB-CZ 4.22Å; H87-F263 PolarHBondContact CE1-O 3.48Å; P89-F263 HydrophobicContact CB-CB 3.76Å; P89-F263 HydrophobicContact CG-CB 4.06Å; P259-F263 HydrophobicContact CB-CE2 3.9Å; P259-F263 VanDerWaalsContact O-CD2 3.29Å; P259-F263 WeakPolarHBondContact O-CD2 3.38Å; P259-F263 PolarHBondContact O-N 3.23Å; Y260-F263 HydrophobicContact CD1-CD2 4.27Å; Y260-F263 HydrophobicContact CG-CD2 4.49Å; F263-M267 HydrophobicContact CD1-CE 3.99Å; F263-M267 HydrophobicContact CE1-CE 4.26Å |
| 264 | P | 92.1 | Very high | 85.4 | Confident | 38 Ų | 38 | 78.1 Ų | 78.1 | 25% | 0.247 | 40% | 0.398 | C | S | . | . | trans | -70.4 | 164.7 | -179.7 | 31.5 | -36.3 | 0 | 0 | 0 | 111.8 | F19 Y179 E266 | F19-P264 WeakPolarHBondContact O-CD 3Å; Y179-P264 PolarHBondContact OH-O 3Å; Y179-P264 VanDerWaalsContact OH-O 3.08Å; P264-E266 VanDerWaalsContact C-N 3.27Å; P264-E266 WeakPolarHBondContact CB-O 3.3Å; P264-E266 WeakPolarHBondContact CG-O 3.47Å; P264-E266 PolarHBondContact O-N 3.36Å | ||
| 265 | R | 89.4 | Confident | 82.7 | Confident | 132 Ų | 132 | 79.6 Ų | 79.6 | 50% | 0.498 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -61.6 | -41.2 | 173 | -174.1 | 179.4 | 176 | 163.1 | 0.5 | 111.5 | H87 | H87-R265 HydrophobicContact CB-CG 4.45Å; H87-R265 PolarHBondContact CE1-N 2Å; H87-R265 VanDerWaalsContact CE1-N 3.35Å; H87-R265 WeakPolarHBondContact NE2-CA 3.39Å; H87-R265 PolarHBondContact NE2-N 3.49Å |
| 266 | E | 86.9 | Confident | 79.9 | Confident | 137 Ų | 137 | 83.9 Ų | 83.9 | 64% | 0.64 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -128.9 | 134.4 | -178.6 | -58.7 | 179.3 | -178.6 | 0 | 0 | 109.2 | Y183 P264 | Y183-E266 HydrophobicContact CE1-CB 4.42Å; Y183-E266 VanDerWaalsContact OH-CA 3.3Å; Y183-E266 WeakPolarHBondContact OH-CA 3.19Å; P264-E266 VanDerWaalsContact C-N 3.27Å; P264-E266 WeakPolarHBondContact CB-O 3.3Å; P264-E266 WeakPolarHBondContact CG-O 3.47Å; P264-E266 PolarHBondContact O-N 3.36Å |
| 267 | M | 87.3 | Confident | 77.3 | Confident | 9 Ų | 9 | 91.8 Ų | 91.8 | 4% | 0.044 | 46% | 0.463 | C | S | . | . | trans | -105.4 | 147.8 | -179.6 | -170 | 171.7 | -79.3 | 0 | 0 | 109.6 | F19 S21 I22 F25 Y179 Y183 F263 K269 | F19-M267 WeakPolarHBondContact O-CE 3.06Å; S21-M267 VanDerWaalsContact C-SD 3.55Å; I22-M267 WeakPolarHBondContact CA-SD 3.44Å; I22-M267 HydrophobicContact CB-SD 3.82Å; I22-M267 HydrophobicContact CD1-SD 3.91Å; I22-M267 HydrophobicContact CG1-SD 4.48Å; I22-M267 PolarHBondContact N-SD 3.08Å; F25-M267 HydrophobicContact CB-CE 4.2Å; Y179-M267 HydrophobicContact CE1-CB 4.45Å; Y179-M267 HydrophobicContact CE1-CE 4.03Å; Y179-M267 HydrophobicContact CE1-SD 4.43Å; Y183-M267 HydrophobicContact CD1-CB 3.87Å; Y183-M267 WeakPolarHBondContact CD1-O 2.87Å; Y183-M267 HydrophobicContact CD2-CB 4.01Å; Y183-M267 HydrophobicContact CE1-CB 4.28Å; Y183-M267 VanDerWaalsContact CE1-N 3.34Å; Y183-M267 WeakPolarHBondContact CE1-O 3.42Å; Y183-M267 HydrophobicContact CE2-CB 4.45Å; Y183-M267 HydrophobicContact CG-CB 3.75Å; F263-M267 HydrophobicContact CD1-CE 3.99Å; F263-M267 HydrophobicContact CE1-CE 4.26Å; M267-K269 PolarHBondContact O-N 3.4Å | ||
| 268 | P | 87.2 | Confident | 74.4 | Confident | 80 Ų | 80 | 96.8 Ų | 96.8 | 52% | 0.519 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 129.9 | 166 | -20.6 | 32.5 | 0 | 0 | 0 | 109.1 | ||
| 269 | K | 85.5 | Confident | 71.9 | Confident | 149 Ų | 149 | 105.9 Ų | 105.9 | 65% | 0.648 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -60 | 140.2 | 174.4 | -70.8 | -172 | 175 | -177.1 | 0 | 109.5 | D182 Y183 M267 N271 | D182-K269 WeakPolarHBondContact O-CE 3.12Å; Y183-K269 HydrophobicContact CD1-CG 4.37Å; M267-K269 PolarHBondContact O-N 3.4Å; K269-N271 PolarHBondContact O-N 2.85Å |
| 270 | E | 84.4 | Confident | 69.3 | Low | 35 Ų | 35 | 109.9 Ų | 109.9 | 16% | 0.164 | 55% | 0.552 | C | S | . | * | P | Polyproline II helix | trans | -60 | 119.4 | 173.8 | -171.1 | -178.8 | -144.8 | 0 | 0 | 109.2 | I22 K23 Y183 S185 N188 Y192 E272 | I22-E270 HydrophobicContact CG2-CB 4.17Å; I22-E270 HydrophobicContact CG2-CG 4.37Å; K23-E270 WeakPolarHBondContact CE-OE1 3.14Å; Y183-E270 PolarHBondContact O-N 3.42Å; S185-E270 WeakPolarHBondContact CB-OE2 3.43Å; S185-E270 PolarHBondContact N-OE2 3.04Å; S185-E270 VanDerWaalsContact N-OE2 3.13Å; S185-E270 PolarHBondContact OG-OE2 3.43Å; N188-E270 WeakPolarHBondContact CB-OE2 3.4Å; N188-E270 VanDerWaalsContact ND2-CD 3.29Å; N188-E270 PolarHBondContact ND2-OE1 3.28Å; N188-E270 VanDerWaalsContact ND2-OE1 3.11Å; N188-E270 PolarHBondContact ND2-OE2 3.39Å; Y192-E270 PolarHBondContact OH-OE1 3.44Å; E270-E272 PolarHBondContact O-N 3.11Å |
| 271 | N | 74.4 | Confident | 66.6 | Low | 140 Ų | 140 | 116.5 Ų | 116.5 | 75% | 0.749 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -65 | 135.2 | 179.5 | -67.8 | -21.6 | 0 | 0 | 0 | 109.9 | K269 E273 | K269-N271 PolarHBondContact O-N 2.85Å; N271-E273 PolarHBondContact O-N 3.32Å |
| 272 | E | 58.8 | Low | 64.1 | Low | 107 Ų | 107 | 118.2 Ų | 118.2 | 50% | 0.5 | 60% | 0.596 | S | S | . | * | trans | -71.2 | 93.3 | 167 | -70.4 | 175.8 | 165.4 | 0 | 0 | 108 | E270 G274 | E270-E272 PolarHBondContact O-N 3.11Å; E272-G274 PolarHBondContact O-N 3.01Å | ||
| 273 | E | 48.6 | Very low | 61.2 | Low | 194 Ų | 194 | 120.9 Ų | 120.9 | 91% | 0.907 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | 83.4 | 163.1 | -71.7 | 178.6 | 178.6 | 0 | 0 | 107.4 | N271 | N271-E273 PolarHBondContact O-N 3.32Š|
| 274 | G | 45.6 | Very low | 58.4 | Low | 65 Ų | 65 | 125.3 Ų | 125.3 | 67% | 0.67 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 165.7 | -33.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | E272 | E272-G274 PolarHBondContact O-N 3.01Š|
| 275 | D | 41.1 | Very low | 55.5 | Low | 127 Ų | 127 | 128.5 Ų | 128.5 | 68% | 0.679 | 66% | 0.66 | S | S | * | * | trans | -112.3 | 73.9 | -170.8 | -72.1 | -19.7 | 0 | 0 | 0 | 111.8 | ||||
| 276 | Q | 38.1 | Very low | 53 | Low | 200 Ų | 200 | 127.4 Ų | 127.4 | 94% | 0.935 | 67% | 0.67 | S | S | * | * | trans | -98.7 | 8.2 | 165.8 | -119.6 | -178 | 5.9 | 0 | 0 | 113.5 | ||||
| 277 | E | 41.1 | Very low | 50.4 | Low | 176 Ų | 176 | 129.8 Ų | 129.8 | 82% | 0.822 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -111.3 | 127.6 | 168.7 | -84.4 | -178.7 | 153.2 | 0 | 0 | 110.6 | ||
| 278 | S | 36.9 | Very low | 47.9 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | trans | 85.2 | 52.5 | -177.5 | 75.7 | 0 | 0 | 0 | 0 | 117.9 | T280 | S278-T280 PolarHBondContact O-N 3.16Š| ||
| 279 | R | 41.3 | Very low | 45.5 | Very low | 256 Ų | 256 | 136.2 Ų | 136.2 | 97% | 0.966 | 72% | 0.718 | S | S | * | * | trans | -82.4 | 75 | 146.2 | -94.6 | -174.2 | 170 | 175 | -2.9 | 110.2 | ||||
| 280 | T | 41.5 | Very low | 43.6 | Very low | 110 Ų | 110 | 133.8 Ų | 133.8 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | trans | -145.9 | 133.4 | 153.1 | 10.7 | 0 | 0 | 0 | 0 | 107.4 | S278 | S278-T280 PolarHBondContact O-N 3.16Š| ||
| 281 | D | 38.2 | Very low | 41.8 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 94.6 | 103.9 | 163.1 | -50.6 | -29.7 | 0 | 0 | 0 | 118.3 | ||
| 282 | I | 39.7 | Very low | 40.4 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | 67.6 | 86 | 149.7 | -47.3 | 166.5 | 0 | 0 | 0 | 113.1 | P284 | I282-P284 WeakPolarHBondContact O-CD 3.29Š| ||
| 283 | E | 32.9 | Very low | 39.9 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | trans | -52 | 111.2 | 146.6 | -147.9 | 172.9 | -168.9 | 0 | 0 | 105.8 | ||||
| 284 | P | 35.7 | Very low | 40.4 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | trans | -55.7 | 135.7 | 170.6 | 23.3 | -30.1 | 0 | 0 | 0 | 105.6 | I282 | I282-P284 WeakPolarHBondContact O-CD 3.29Š| ||
| 285 | P | 31.1 | Very low | 41.5 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 68% | 0.682 | 70% | 0.699 | S | S | * | * | trans | -49 | 138.4 | 178.8 | 21.3 | -31.7 | 0 | 0 | 0 | 107 | M287 | P285-M287 PolarHBondContact O-N 2.88Š| ||
| 286 | P | 36.8 | Very low | 42.7 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 71% | 0.714 | 68% | 0.68 | S | S | * | * | trans | -50.5 | 115.9 | 173.8 | 21.9 | -30.5 | 0 | 0 | 0 | 104.6 | T288 | P286-T288 PolarHBondContact O-N 3.47Š| ||
| 287 | M | 32.9 | Very low | 44.2 | Very low | 186 Ų | 186 | 126 Ų | 126 | 92% | 0.916 | 67% | 0.669 | S | S | * | * | trans | -55 | 101.9 | 167.3 | -101.8 | -170.7 | 163.3 | 0 | 0 | 102.8 | P285 D289 | P285-M287 PolarHBondContact O-N 2.88Å; M287-D289 PolarHBondContact O-N 2.87Å | ||
| 288 | T | 33.3 | Very low | 45.8 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 72% | 0.724 | 65% | 0.654 | S | S | * | * | trans | -59.2 | 93.7 | 167.2 | 30.7 | 0 | 0 | 0 | 0 | 103 | P286 P290 | P286-T288 PolarHBondContact O-N 3.47Å; T288-P290 WeakPolarHBondContact O-CD 3.39Å | ||
| 289 | D | 38.3 | Very low | 47.5 | Very low | 106 Ų | 106 | 119.4 Ų | 119.4 | 57% | 0.567 | 63% | 0.626 | S | S | * | * | trans | -49.1 | 112.5 | 168.3 | -112.4 | -29.5 | 0 | 0 | 0 | 104.4 | M287 V291 R292 | M287-D289 PolarHBondContact O-N 2.87Å; D289-V291 PolarHBondContact O-N 2.72Å; D289-R292 PolarHBondContact O-N 3.45Å | ||
| 290 | P | 44.2 | Very low | 49.1 | Very low | 99 Ų | 99 | 110.7 Ų | 110.7 | 64% | 0.643 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -59.6 | -10.9 | -177.3 | 21.2 | -30.3 | 0 | 0 | 0 | 111.5 | T288 L294 | T288-P290 WeakPolarHBondContact O-CD 3.39Å; P290-L294 WeakPolarHBondContact O-CD1 3.41Å |
| 291 | V | 48.4 | Very low | 50.9 | Low | 67 Ų | 67 | 114 Ų | 114 | 41% | 0.406 | 60% | 0.603 | S | S | . | * | G | 310 helix | trans | -71.2 | -23.4 | 174.2 | -168.9 | 0 | 0 | 0 | 0 | 113.4 | D289 D293 L294 | D289-V291 PolarHBondContact O-N 2.72Å; V291-D293 VanDerWaalsContact C-N 3.26Å; V291-D293 PolarHBondContact O-N 2.87Å; V291-L294 PolarHBondContact O-N 3.36Å |
| 292 | R | 44.1 | Very low | 52.4 | Low | 165 Ų | 165 | 109 Ų | 109 | 62% | 0.623 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -66.5 | -26.2 | -179.6 | -92.2 | -176.4 | 172.8 | -178.2 | -0.1 | 113.3 | R85 D289 | R85-R292 PolarHBondContact NH2-O 3.06Å; D289-R292 PolarHBondContact O-N 3.45Å |
| 293 | D | 47.4 | Very low | 54.1 | Low | 146 Ų | 146 | 104.6 Ų | 104.6 | 78% | 0.781 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -105.3 | -0 | -179.9 | -66.8 | -31.9 | 0 | 0 | 0 | 114.1 | V291 | V291-D293 VanDerWaalsContact C-N 3.26Å; V291-D293 PolarHBondContact O-N 2.87Å |
| 294 | L | 59.1 | Low | 56.3 | Low | 51 Ų | 51 | 99.5 Ų | 99.5 | 27% | 0.267 | 54% | 0.538 | S | S | . | . | trans | -74.1 | 135 | 176.7 | -104.1 | 80.2 | 0 | 0 | 0 | 111.4 | F81 P290 V291 Q298 F299 | F81-L294 WeakPolarHBondContact CE2-O 3.04Å; P290-L294 WeakPolarHBondContact O-CD1 3.41Å; V291-L294 PolarHBondContact O-N 3.36Å; L294-Q298 HydrophobicContact CD2-CB 4.01Å; L294-Q298 HydrophobicContact CG-CB 4.08Å; L294-F299 HydrophobicContact CD2-CB 4.39Å | ||
| 295 | T | 70.5 | Confident | 58.3 | Low | 87 Ų | 87 | 104.9 Ų | 104.9 | 53% | 0.534 | 55% | 0.546 | S | S | . | . | trans | -70.7 | 145.7 | 167.4 | -47.4 | 0 | 0 | 0 | 0 | 108.9 | L297 Q298 F299 | T295-L297 PolarHBondContact O-N 2.87Å; T295-L297 VanDerWaalsContact O-N 3.08Å; T295-Q298 VanDerWaalsContact N-OE1 3.1Å; T295-Q298 WeakPolarHBondContact O-CA 3.45Å; T295-Q298 WeakPolarHBondContact O-CB 3.4Å; T295-Q298 PolarHBondContact O-N 3Å; T295-Q298 PolarHBondContact OG1-OE1 3.44Å; T295-F299 PolarHBondContact O-N 3.5Å; T295-F299 VanDerWaalsContact O-N 3.08Å | ||
| 296 | L | 66.1 | Low | 60.2 | Low | 53 Ų | 53 | 102.6 Ų | 102.6 | 28% | 0.277 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -50.6 | -38.8 | 179.9 | -167.5 | 159.7 | 0 | 0 | 0 | 112 | F78 F81 F82 F299 L300 | F78-L296 HydrophobicContact CD1-CD1 4.41Å; F78-L296 HydrophobicContact CE1-CD2 4.36Å; F81-L296 HydrophobicContact CD1-CD1 4.15Å; F81-L296 HydrophobicContact CD1-CG 4.34Å; F81-L296 HydrophobicContact CE1-CB 4.04Å; F81-L296 HydrophobicContact CE1-CD1 4.14Å; F81-L296 HydrophobicContact CE1-CG 4.28Å; F81-L296 HydrophobicContact CZ-CB 4Å; F82-L296 HydrophobicContact CE2-CD1 4.38Å; F82-L296 HydrophobicContact CZ-CD1 3.89Å; L296-F299 PolarHBondContact O-N 3.28Å; L296-L300 HydrophobicContact CD2-CD1 3.43Å; L296-L300 VanDerWaalsContact CD2-CD1 3.43Å; L296-L300 HydrophobicContact CD2-CG 4.01Å; L296-L300 PolarHBondContact O-N 2.87Å |
| 297 | L | 69.1 | Low | 62.1 | Low | 134 Ų | 134 | 97.8 Ų | 97.8 | 70% | 0.702 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.4 | -38 | 176.3 | -165.8 | 74.6 | 0 | 0 | 0 | 113.1 | T295 K301 | T295-L297 PolarHBondContact O-N 2.87Å; T295-L297 VanDerWaalsContact O-N 3.08Å; L297-K301 VanDerWaalsContact O-CB 3.29Å; L297-K301 WeakPolarHBondContact O-CB 3.3Å; L297-K301 PolarHBondContact O-N 3.19Å |
| 298 | Q | 75.2 | Confident | 64.3 | Low | 106 Ų | 106 | 94.5 Ų | 94.5 | 50% | 0.495 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -70.8 | -36.8 | 177.3 | -69.7 | 170.2 | -26.4 | 0 | 0 | 111.2 | L294 T295 K301 S302 | L294-Q298 HydrophobicContact CD2-CB 4.01Å; L294-Q298 HydrophobicContact CG-CB 4.08Å; T295-Q298 VanDerWaalsContact N-OE1 3.1Å; T295-Q298 WeakPolarHBondContact O-CA 3.45Å; T295-Q298 WeakPolarHBondContact O-CB 3.4Å; T295-Q298 PolarHBondContact O-N 3Å; T295-Q298 PolarHBondContact OG1-OE1 3.44Å; Q298-K301 PolarHBondContact O-N 3.12Å; Q298-S302 WeakPolarHBondContact O-CB 3.37Å; Q298-S302 PolarHBondContact O-N 3.39Å; Q298-S302 PolarHBondContact O-OG 2.85Å; Q298-S302 VanDerWaalsContact O-OG 3.06Å |
| 299 | F | 72 | Confident | 66.4 | Low | 43 Ų | 43 | 96.1 Ų | 96.1 | 19% | 0.189 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 174.1 | 177.2 | -100.7 | 0 | 0 | 0 | 111.7 | V77 F81 L294 T295 L296 K301 S302 F303 | V77-F299 HydrophobicContact CG1-CE1 3.91Å; F81-F299 HydrophobicContact CD2-CG 4.49Å; L294-F299 HydrophobicContact CD2-CB 4.39Å; T295-F299 PolarHBondContact O-N 3.5Å; T295-F299 VanDerWaalsContact O-N 3.08Å; L296-F299 PolarHBondContact O-N 3.28Å; F299-K301 VanDerWaalsContact C-N 3.3Å; F299-K301 PolarHBondContact O-N 3.38Å; F299-S302 PolarHBondContact O-N 3.33Å; F299-S302 PolarHBondContact O-OG 2.84Å; F299-S302 VanDerWaalsContact O-OG 3.09Å; F299-F303 HydrophobicContact CZ-CD2 4.49Å; F299-F303 WeakPolarHBondContact O-CB 3.49Å; F299-F303 PolarHBondContact O-N 3.38Å |
| 300 | L | 75.3 | Confident | 68.3 | Low | 72 Ų | 72 | 91.6 Ų | 91.6 | 38% | 0.377 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.7 | -34.5 | 176 | -75.7 | 175.8 | 0 | 0 | 0 | 112.8 | V77 L296 P304 | V77-L300 HydrophobicContact CG1-CD2 4.31Å; L296-L300 HydrophobicContact CD2-CD1 3.43Å; L296-L300 VanDerWaalsContact CD2-CD1 3.43Å; L296-L300 HydrophobicContact CD2-CG 4.01Å; L296-L300 PolarHBondContact O-N 2.87Å; L300-P304 WeakPolarHBondContact O-CD 3.49Å |
| 301 | K | 77.8 | Confident | 70.1 | Confident | 179 Ų | 179 | 89 Ų | 89 | 78% | 0.778 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -75.2 | -30.9 | 179 | -167 | 173.8 | -177.2 | 176.8 | 0 | 112.8 | L297 Q298 F299 | L297-K301 VanDerWaalsContact O-CB 3.29Å; L297-K301 WeakPolarHBondContact O-CB 3.3Å; L297-K301 PolarHBondContact O-N 3.19Å; Q298-K301 PolarHBondContact O-N 3.12Å; F299-K301 VanDerWaalsContact C-N 3.3Å; F299-K301 PolarHBondContact O-N 3.38Å |
| 302 | S | 71.1 | Confident | 71.7 | Confident | 37 Ų | 37 | 90 Ų | 90 | 26% | 0.259 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -83.8 | -28 | 178.2 | 63.6 | 0 | 0 | 0 | 0 | 113 | Q298 F299 R305 I306 | Q298-S302 WeakPolarHBondContact O-CB 3.37Å; Q298-S302 PolarHBondContact O-N 3.39Å; Q298-S302 PolarHBondContact O-OG 2.85Å; Q298-S302 VanDerWaalsContact O-OG 3.06Å; F299-S302 PolarHBondContact O-N 3.33Å; F299-S302 PolarHBondContact O-OG 2.84Å; F299-S302 VanDerWaalsContact O-OG 3.09Å; S302-R305 PolarHBondContact O-N 3.25Å; S302-I306 WeakPolarHBondContact O-CG1 3.29Å; S302-I306 PolarHBondContact O-N 2.93Å; S302-I306 VanDerWaalsContact O-N 3.15Å |
| 303 | F | 75.2 | Confident | 73.7 | Confident | 49 Ų | 49 | 83.3 Ų | 83.3 | 22% | 0.215 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -53.4 | -48.8 | -176.8 | -177.5 | -90.9 | 0 | 0 | 0 | 114.9 | F299 R305 I306 A307 F532 M539 | F299-F303 HydrophobicContact CZ-CD2 4.49Å; F299-F303 WeakPolarHBondContact O-CB 3.49Å; F299-F303 PolarHBondContact O-N 3.38Å; F303-R305 VanDerWaalsContact C-N 3.29Å; F303-R305 PolarHBondContact O-N 3.33Å; F303-I306 PolarHBondContact O-N 3.35Å; F303-A307 HydrophobicContact CE1-CB 4.4Å; F303-A307 VanDerWaalsContact O-CB 3.24Å; F303-A307 WeakPolarHBondContact O-CB 3.47Å; F303-A307 PolarHBondContact O-N 3.29Å; F303-F532 AromaticContact CD2-CE2 3.72Å; F303-F532 HydrophobicContact CD2-CE2 3.72Å; F303-F532 HydrophobicContact CD2-CZ 4.29Å; F303-F532 AromaticContact CE2-CE2 3.69Å; F303-F532 HydrophobicContact CE2-CE2 3.69Å; F303-F532 HydrophobicContact CE2-CZ 4.17Å; F303-M539 HydrophobicContact CE1-SD 4.25Å; F303-M539 HydrophobicContact CZ-SD 4.16Å |
| 304 | P | 78.3 | Confident | 75.6 | Confident | 79 Ų | 79 | 79.4 Ų | 79.4 | 51% | 0.513 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.9 | -36.6 | -178.6 | -20.7 | 31.8 | 0 | 0 | 0 | 112.4 | L300 L308 | L300-P304 WeakPolarHBondContact O-CD 3.49Å; P304-L308 VanDerWaalsContact O-CB 3.27Å; P304-L308 WeakPolarHBondContact O-CB 3.23Å; P304-L308 PolarHBondContact O-N 2.81Å |
| 305 | R | 78.9 | Confident | 77.1 | Confident | 211 Ų | 211 | 77.2 Ų | 77.2 | 80% | 0.796 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -68.7 | -43.2 | -179.7 | -170.8 | 178.3 | -177.4 | -179.2 | 0.7 | 111.3 | S302 F303 R309 | S302-R305 PolarHBondContact O-N 3.25Å; F303-R305 VanDerWaalsContact C-N 3.29Å; F303-R305 PolarHBondContact O-N 3.33Å; R305-R309 WeakPolarHBondContact O-CB 3.36Å; R305-R309 PolarHBondContact O-N 3.31Å |
| 306 | I | 70.8 | Confident | 78.1 | Confident | 57 Ų | 57 | 73.4 Ų | 73.4 | 29% | 0.292 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -69.8 | -41.9 | 177.6 | -55.4 | 168 | 0 | 0 | 0 | 109.6 | S302 F303 L308 R309 T310 F532 | S302-I306 WeakPolarHBondContact O-CG1 3.29Å; S302-I306 PolarHBondContact O-N 2.93Å; S302-I306 VanDerWaalsContact O-N 3.15Å; F303-I306 PolarHBondContact O-N 3.35Å; I306-L308 PolarHBondContact O-N 3.25Å; I306-R309 WeakPolarHBondContact O-CB 3.38Å; I306-R309 PolarHBondContact O-N 3.16Å; I306-T310 PolarHBondContact O-N 3.36Å; I306-T310 PolarHBondContact O-OG1 2.66Å; I306-T310 VanDerWaalsContact O-OG1 3.07Å; I306-F532 VanDerWaalsContact C-CE1 3.49Å; I306-F532 HydrophobicContact CB-CE1 4.04Å; I306-F532 HydrophobicContact CB-CE2 4.18Å; I306-F532 HydrophobicContact CB-CZ 3.74Å; I306-F532 HydrophobicContact CG2-CD1 3.69Å; I306-F532 HydrophobicContact CG2-CD2 4.16Å; I306-F532 HydrophobicContact CG2-CE1 3.43Å; I306-F532 VanDerWaalsContact CG2-CE1 3.43Å; I306-F532 HydrophobicContact CG2-CE2 3.92Å; I306-F532 HydrophobicContact CG2-CG 4.05Å; I306-F532 HydrophobicContact CG2-CZ 3.56Å |
| 307 | A | 75.8 | Confident | 79.5 | Confident | 8 Ų | 8 | 73.7 Ų | 73.7 | 7% | 0.066 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58 | -46.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F303 R309 T310 L311 F532 V536 | F303-A307 HydrophobicContact CE1-CB 4.4Å; F303-A307 VanDerWaalsContact O-CB 3.24Å; F303-A307 WeakPolarHBondContact O-CB 3.47Å; F303-A307 PolarHBondContact O-N 3.29Å; A307-R309 PolarHBondContact O-N 3.33Å; A307-T310 PolarHBondContact O-N 3.09Å; A307-L311 WeakPolarHBondContact O-CB 3.32Å; A307-L311 VanDerWaalsContact O-CG 3.24Å; A307-L311 WeakPolarHBondContact O-CG 3.46Å; A307-L311 PolarHBondContact O-N 3.35Å; A307-F532 HydrophobicContact CB-CE1 4.37Å; A307-F532 HydrophobicContact CB-CZ 3.94Å; A307-F532 VanDerWaalsContact N-CZ 3.28Å; A307-V536 HydrophobicContact CB-CG2 4.35Å |
| 308 | L | 78.8 | Confident | 80.7 | Confident | 118 Ų | 118 | 68.9 Ų | 68.9 | 62% | 0.618 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.5 | -39.2 | 178.7 | -166.5 | 70.4 | 0 | 0 | 0 | 112.1 | P304 I306 L311 S312 | P304-L308 VanDerWaalsContact O-CB 3.27Å; P304-L308 WeakPolarHBondContact O-CB 3.23Å; P304-L308 PolarHBondContact O-N 2.81Å; I306-L308 PolarHBondContact O-N 3.25Å; L308-L311 PolarHBondContact O-N 3.4Å; L308-S312 WeakPolarHBondContact O-CB 3.27Å; L308-S312 PolarHBondContact O-N 3.12Å; L308-S312 PolarHBondContact O-OG 3.06Å |
| 309 | R | 78.7 | Confident | 81.7 | Confident | 151 Ų | 151 | 63.9 Ų | 63.9 | 57% | 0.57 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60.1 | -46.4 | 173.6 | -172 | -179.2 | 77 | 173 | 4.5 | 111.3 | R305 I306 A307 S312 D529 | R305-R309 WeakPolarHBondContact O-CB 3.36Å; R305-R309 PolarHBondContact O-N 3.31Å; I306-R309 WeakPolarHBondContact O-CB 3.38Å; I306-R309 PolarHBondContact O-N 3.16Å; A307-R309 PolarHBondContact O-N 3.33Å; R309-S312 WeakPolarHBondContact O-CB 3.42Å; R309-S312 PolarHBondContact O-N 2.96Å; R309-D529 IonicContact CZ-OD2 3.73Å; R309-D529 IonicContact NE-OD2 3.93Å; R309-D529 IonicContact NH2-OD1 3.08Å; R309-D529 PolarHBondContact NH2-OD1 3.45Å; R309-D529 IonicContact NH2-OD2 3.65Å; R309-D529 PolarHBondContact NH2-OD2 2.81Å |
| 310 | T | 77.5 | Confident | 82.8 | Confident | 11 Ų | 11 | 61.8 Ų | 61.8 | 7% | 0.067 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 178.1 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | I306 A307 S312 G313 Y316 F532 A533 | I306-T310 PolarHBondContact O-N 3.36Å; I306-T310 PolarHBondContact O-OG1 2.66Å; I306-T310 VanDerWaalsContact O-OG1 3.07Å; A307-T310 PolarHBondContact O-N 3.09Å; T310-S312 PolarHBondContact O-N 3.29Å; T310-G313 PolarHBondContact O-N 3.44Å; T310-Y316 HydrophobicContact CG2-CD1 4.08Å; T310-Y316 HydrophobicContact CG2-CE1 3.7Å; T310-Y316 HydrophobicContact CG2-CE2 4.5Å; T310-Y316 VanDerWaalsContact O-CD1 3.3Å; T310-Y316 WeakPolarHBondContact O-CD1 3.44Å; T310-F532 HydrophobicContact CG2-CD1 4.49Å; T310-F532 WeakPolarHBondContact OG1-CD1 3.38Å; T310-F532 WeakPolarHBondContact OG1-CE1 3.26Å; T310-A533 HydrophobicContact CG2-CB 3.81Å |
| 311 | L | 81.5 | Confident | 83.8 | Confident | 45 Ų | 45 | 61.1 Ų | 61.1 | 24% | 0.236 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.1 | -20.6 | 177.5 | -69.5 | 169.1 | 0 | 0 | 0 | 113.5 | A307 L308 G313 Y316 L317 V536 L540 | A307-L311 WeakPolarHBondContact O-CB 3.32Å; A307-L311 VanDerWaalsContact O-CG 3.24Å; A307-L311 WeakPolarHBondContact O-CG 3.46Å; A307-L311 PolarHBondContact O-N 3.35Å; L308-L311 PolarHBondContact O-N 3.4Å; L311-G313 PolarHBondContact O-N 2.86Å; L311-Y316 HydrophobicContact CD2-CE1 4.12Å; L311-L317 HydrophobicContact CD2-CD1 3.86Å; L311-V536 HydrophobicContact CD1-CG1 4.49Å; L311-V536 HydrophobicContact CD2-CG1 3.98Å; L311-V536 HydrophobicContact CG-CG1 4.21Å; L311-L540 HydrophobicContact CD2-CD1 3.85Å |
| 312 | S | 82.6 | Confident | 84.7 | Confident | 87 Ų | 87 | 52.6 Ų | 52.6 | 61% | 0.608 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -12.8 | 174.7 | -62 | 0 | 0 | 0 | 0 | 113 | L308 R309 T310 P314 | L308-S312 WeakPolarHBondContact O-CB 3.27Å; L308-S312 PolarHBondContact O-N 3.12Å; L308-S312 PolarHBondContact O-OG 3.06Å; R309-S312 WeakPolarHBondContact O-CB 3.42Å; R309-S312 PolarHBondContact O-N 2.96Å; T310-S312 PolarHBondContact O-N 3.29Å; S312-P314 WeakPolarHBondContact O-CD 3.39Å |
| 313 | G | 86.2 | Confident | 85.8 | Confident | 25 Ų | 25 | 51.2 Ų | 51.2 | 26% | 0.258 | 26% | 0.264 | S | S | . | . | trans | -72 | 108 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T310 L311 I315 Y316 L317 | T310-G313 PolarHBondContact O-N 3.44Å; L311-G313 PolarHBondContact O-N 2.86Å; G313-I315 PolarHBondContact O-N 2.87Å; G313-Y316 PolarHBondContact O-N 2.99Å; G313-L317 PolarHBondContact O-N 3.11Å | ||
| 314 | P | 87.1 | Confident | 86.9 | Confident | 64 Ų | 64 | 49.3 Ų | 49.3 | 42% | 0.416 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | -168.7 | 23.9 | -34.5 | 0 | 0 | 0 | 113.2 | S312 L318 | S312-P314 WeakPolarHBondContact O-CD 3.39Å; P314-L318 WeakPolarHBondContact O-CB 3.39Å; P314-L318 WeakPolarHBondContact O-CD1 3.27Å; P314-L318 WeakPolarHBondContact O-CG 3.36Å; P314-L318 PolarHBondContact O-N 2.97Å; P314-L318 VanDerWaalsContact O-N 3.1Å |
| 315 | I | 91.2 | Very high | 87.8 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.6 | -44.4 | 178.4 | -66.4 | 165.8 | 0 | 0 | 0 | 110.7 | G313 L318 V319 T524 T604 A607 L608 | G313-I315 PolarHBondContact O-N 2.87Å; I315-L318 PolarHBondContact O-N 3.27Å; I315-V319 HydrophobicContact CG2-CG2 4.47Å; I315-V319 VanDerWaalsContact O-CG2 3.24Å; I315-V319 WeakPolarHBondContact O-CG2 3.48Å; I315-V319 PolarHBondContact O-N 3.48Å; I315-V319 VanDerWaalsContact O-N 3.08Å; I315-T524 HydrophobicContact CG2-CG2 3.55Å; I315-T604 HydrophobicContact CG2-CG2 4.16Å; I315-A607 HydrophobicContact CG1-CB 4.03Å; I315-L608 HydrophobicContact CD1-CD2 3.66Å; I315-L608 HydrophobicContact CD1-CG 4.17Å; I315-L608 HydrophobicContact CG1-CD2 4.47Å; I315-L608 HydrophobicContact CG2-CD2 4.49Å |
| 316 | Y | 91.8 | Very high | 88.6 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.8 | -51.2 | 177.8 | 167.1 | -97.2 | 0 | 0 | 0 | 110.6 | T310 L311 G313 L318 V319 V320 V521 V525 A533 Q537 | T310-Y316 HydrophobicContact CG2-CD1 4.08Å; T310-Y316 HydrophobicContact CG2-CE1 3.7Å; T310-Y316 HydrophobicContact CG2-CE2 4.5Å; T310-Y316 VanDerWaalsContact O-CD1 3.3Å; T310-Y316 WeakPolarHBondContact O-CD1 3.44Å; L311-Y316 HydrophobicContact CD2-CE1 4.12Å; G313-Y316 PolarHBondContact O-N 2.99Å; Y316-L318 PolarHBondContact O-N 3.23Å; Y316-V319 PolarHBondContact O-N 3.31Å; Y316-V320 HydrophobicContact CD2-CG2 4.05Å; Y316-V320 HydrophobicContact CE1-CG2 4.12Å; Y316-V320 HydrophobicContact CE2-CG2 3.59Å; Y316-V320 HydrophobicContact CG-CG2 4.48Å; Y316-V320 WeakPolarHBondContact O-CB 3.44Å; Y316-V320 WeakPolarHBondContact O-CG2 3.06Å; Y316-V320 PolarHBondContact O-N 3.19Å; Y316-V521 HydrophobicContact CD2-CG1 3.87Å; Y316-V521 HydrophobicContact CE2-CG1 3.63Å; Y316-V525 HydrophobicContact CD2-CG2 3.67Å; Y316-V525 HydrophobicContact CE2-CG2 4.3Å; Y316-V525 HydrophobicContact CG-CG2 4.27Å; Y316-A533 HydrophobicContact CD2-CB 4.43Å; Y316-A533 HydrophobicContact CE2-CB 3.73Å; Y316-A533 PolarHBondContact OH-O 3.4Å; Y316-Q537 PolarHBondContact OH-N 2.85Å |
| 317 | L | 93.8 | Very high | 89.7 | Confident | 59 Ų | 59 | 35.7 Ų | 35.7 | 31% | 0.309 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -59 | -46.9 | -179.7 | -178.7 | 63.9 | 0 | 0 | 0 | 112 | L311 G313 V319 V320 L321 | L311-L317 HydrophobicContact CD2-CD1 3.86Å; G313-L317 PolarHBondContact O-N 3.11Å; L317-V319 PolarHBondContact O-N 3.4Å; L317-V320 PolarHBondContact O-N 2.91Å; L317-L321 HydrophobicContact CD1-CD1 4.25Å; L317-L321 HydrophobicContact CD1-CG 4.24Å; L317-L321 HydrophobicContact CG-CD1 4.02Å; L317-L321 HydrophobicContact CG-CG 4.41Å; L317-L321 WeakPolarHBondContact O-CB 3.43Å; L317-L321 VanDerWaalsContact O-CG 3.3Å; L317-L321 WeakPolarHBondContact O-CG 3.32Å; L317-L321 PolarHBondContact O-N 3.46Å |
| 318 | L | 95.4 | Very high | 90.7 | Very high | 33 Ų | 33 | 35.4 Ų | 35.4 | 17% | 0.173 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.8 | -42.9 | 179.5 | -72.2 | 168.9 | 0 | 0 | 0 | 112.3 | P314 I315 Y316 L321 A322 C600 L603 T604 | P314-L318 WeakPolarHBondContact O-CB 3.39Å; P314-L318 WeakPolarHBondContact O-CD1 3.27Å; P314-L318 WeakPolarHBondContact O-CG 3.36Å; P314-L318 PolarHBondContact O-N 2.97Å; P314-L318 VanDerWaalsContact O-N 3.1Å; I315-L318 PolarHBondContact O-N 3.27Å; Y316-L318 PolarHBondContact O-N 3.23Å; L318-L321 PolarHBondContact O-N 2.9Å; L318-A322 PolarHBondContact O-N 3.31Å; L318-C600 WeakPolarHBondContact O-CB 3.34Å; L318-L603 HydrophobicContact CD1-CB 3.89Å; L318-L603 HydrophobicContact CD2-CB 3.9Å; L318-L603 HydrophobicContact CD2-CD1 3.97Å; L318-T604 VanDerWaalsContact CB-OG1 3.29Å; L318-T604 WeakPolarHBondContact CB-OG1 3.34Å |
| 319 | V | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -66.9 | -40.8 | 177.8 | 176.5 | 0 | 0 | 0 | 0 | 111.1 | I315 Y316 L317 A322 L323 M520 V521 T604 | I315-V319 HydrophobicContact CG2-CG2 4.47Å; I315-V319 VanDerWaalsContact O-CG2 3.24Å; I315-V319 WeakPolarHBondContact O-CG2 3.48Å; I315-V319 PolarHBondContact O-N 3.48Å; I315-V319 VanDerWaalsContact O-N 3.08Å; Y316-V319 PolarHBondContact O-N 3.31Å; L317-V319 PolarHBondContact O-N 3.4Å; V319-A322 WeakPolarHBondContact O-CB 3.38Å; V319-A322 PolarHBondContact O-N 2.74Å; V319-L323 HydrophobicContact CG1-CD1 4.32Å; V319-L323 WeakPolarHBondContact O-CG 3.22Å; V319-L323 PolarHBondContact O-N 3.3Å; V319-M520 HydrophobicContact CG1-CB 4.25Å; V319-M520 HydrophobicContact CG2-CE 3.68Å; V319-V521 HydrophobicContact CB-CG2 4.38Å; V319-V521 HydrophobicContact CG1-CG2 3.69Å; V319-T604 HydrophobicContact CG2-CG2 3.76Å |
| 320 | V | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.5 | -40.8 | 176.4 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | Y316 L317 A322 L323 V324 V521 Q537 L540 | Y316-V320 HydrophobicContact CD2-CG2 4.05Å; Y316-V320 HydrophobicContact CE1-CG2 4.12Å; Y316-V320 HydrophobicContact CE2-CG2 3.59Å; Y316-V320 HydrophobicContact CG-CG2 4.48Å; Y316-V320 WeakPolarHBondContact O-CB 3.44Å; Y316-V320 WeakPolarHBondContact O-CG2 3.06Å; Y316-V320 PolarHBondContact O-N 3.19Å; L317-V320 PolarHBondContact O-N 2.91Å; V320-A322 VanDerWaalsContact C-N 3.33Å; V320-A322 PolarHBondContact O-N 3.22Å; V320-L323 CarbonylContact O-C 3.51Å; V320-L323 WeakPolarHBondContact O-CB 3.32Å; V320-L323 PolarHBondContact O-N 2.97Å; V320-V324 HydrophobicContact CG1-CG2 4.38Å; V320-V324 VanDerWaalsContact O-CG2 3.31Å; V320-V324 WeakPolarHBondContact O-CG2 3.41Å; V320-V324 PolarHBondContact O-N 3.44Å; V320-V521 HydrophobicContact CG2-CG2 4.16Å; V320-Q537 HydrophobicContact CG1-CB 4.44Å; V320-Q537 HydrophobicContact CG1-CG 4.2Å; V320-Q537 HydrophobicContact CG2-CB 4.21Å; V320-Q537 HydrophobicContact CG2-CG 4.1Å; V320-L540 HydrophobicContact CG1-CB 4.34Å; V320-L540 HydrophobicContact CG1-CD1 3.61Å |
| 321 | L | 96 | Very high | 93.1 | Very high | 57 Ų | 57 | 25.7 Ų | 25.7 | 30% | 0.298 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.8 | -37 | 174.1 | -72.9 | 173.9 | 0 | 0 | 0 | 112.3 | L317 L318 L323 V324 N325 | L317-L321 HydrophobicContact CD1-CD1 4.25Å; L317-L321 HydrophobicContact CD1-CG 4.24Å; L317-L321 HydrophobicContact CG-CD1 4.02Å; L317-L321 HydrophobicContact CG-CG 4.41Å; L317-L321 WeakPolarHBondContact O-CB 3.43Å; L317-L321 VanDerWaalsContact O-CG 3.3Å; L317-L321 WeakPolarHBondContact O-CG 3.32Å; L317-L321 PolarHBondContact O-N 3.46Å; L318-L321 PolarHBondContact O-N 2.9Å; L321-L323 VanDerWaalsContact C-N 3.34Å; L321-V324 PolarHBondContact O-N 3.24Å; L321-N325 PolarHBondContact O-N 3Å; L321-N325 PolarHBondContact O-ND2 3.49Å |
| 322 | A | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L318 V319 V320 V324 N325 M326 C600 F601 | L318-A322 PolarHBondContact O-N 3.31Å; V319-A322 WeakPolarHBondContact O-CB 3.38Å; V319-A322 PolarHBondContact O-N 2.74Å; V320-A322 VanDerWaalsContact C-N 3.33Å; V320-A322 PolarHBondContact O-N 3.22Å; A322-V324 PolarHBondContact O-N 3.48Å; A322-N325 PolarHBondContact O-N 3.21Å; A322-M326 VanDerWaalsContact O-CG 3.32Å; A322-M326 WeakPolarHBondContact O-CG 3.37Å; A322-M326 PolarHBondContact O-N 3.46Å; A322-M326 VanDerWaalsContact O-N 3.12Å; A322-C600 HydrophobicContact CB-CB 3.58Å; A322-F601 HydrophobicContact CB-CD1 4.29Å; A322-F601 HydrophobicContact CB-CD2 4.11Å; A322-F601 HydrophobicContact CB-CE1 3.98Å; A322-F601 HydrophobicContact CB-CE2 3.8Å; A322-F601 HydrophobicContact CB-CG 4.33Å; A322-F601 HydrophobicContact CB-CZ 3.71Å |
| 323 | L | 95.6 | Very high | 94.4 | Very high | 9 Ų | 9 | 20.5 Ų | 20.5 | 5% | 0.047 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.1 | -35.4 | 177.1 | -76.7 | 168.4 | 0 | 0 | 0 | 113 | V319 V320 L321 M326 A327 V521 F541 | V319-L323 HydrophobicContact CG1-CD1 4.32Å; V319-L323 WeakPolarHBondContact O-CG 3.22Å; V319-L323 PolarHBondContact O-N 3.3Å; V320-L323 CarbonylContact O-C 3.51Å; V320-L323 WeakPolarHBondContact O-CB 3.32Å; V320-L323 PolarHBondContact O-N 2.97Å; L321-L323 VanDerWaalsContact C-N 3.34Å; L323-M326 PolarHBondContact O-N 2.89Å; L323-A327 VanDerWaalsContact O-CB 3.29Å; L323-A327 WeakPolarHBondContact O-CB 3.37Å; L323-A327 PolarHBondContact O-N 3.22Å; L323-V521 HydrophobicContact CD1-CG2 4.18Å; L323-F541 HydrophobicContact CB-CE1 3.51Å; L323-F541 HydrophobicContact CB-CZ 3.56Å; L323-F541 HydrophobicContact CD1-CZ 4.19Å; L323-F541 HydrophobicContact CG-CZ 4.31Å |
| 324 | V | 97.2 | Very high | 94.7 | Very high | 9 Ų | 9 | 20 Ų | 20 | 6% | 0.055 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.7 | -46.2 | 173.6 | 165.6 | 0 | 0 | 0 | 0 | 110.5 | V320 L321 A322 M326 A327 A328 L540 F541 L544 A545 | V320-V324 HydrophobicContact CG1-CG2 4.38Å; V320-V324 VanDerWaalsContact O-CG2 3.31Å; V320-V324 WeakPolarHBondContact O-CG2 3.41Å; V320-V324 PolarHBondContact O-N 3.44Å; L321-V324 PolarHBondContact O-N 3.24Å; A322-V324 PolarHBondContact O-N 3.48Å; V324-M326 VanDerWaalsContact C-N 3.31Å; V324-M326 PolarHBondContact O-N 3.03Å; V324-A327 PolarHBondContact O-N 2.98Å; V324-A328 WeakPolarHBondContact O-CB 3.41Å; V324-A328 PolarHBondContact O-N 3.34Å; V324-L540 HydrophobicContact CG2-CB 4.19Å; V324-F541 HydrophobicContact CG2-CD1 3.81Å; V324-F541 HydrophobicContact CG2-CE1 4.18Å; V324-L544 HydrophobicContact CG1-CB 3.6Å; V324-L544 HydrophobicContact CG1-CD1 4.46Å; V324-A545 HydrophobicContact CG1-CB 4.19Å; V324-A545 WeakPolarHBondContact O-CB 3.35Å |
| 325 | N | 97.1 | Very high | 95.1 | Very high | 36 Ų | 36 | 17 Ų | 17 | 19% | 0.193 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.7 | -44.6 | 175.8 | -82.1 | -86.7 | 0 | 0 | 0 | 111.6 | L321 A322 A328 L329 F593 A597 | L321-N325 PolarHBondContact O-N 3Å; L321-N325 PolarHBondContact O-ND2 3.49Å; A322-N325 PolarHBondContact O-N 3.21Å; N325-A328 PolarHBondContact O-N 2.68Å; N325-L329 WeakPolarHBondContact O-CB 3.46Å; N325-L329 PolarHBondContact O-N 3.08Å; N325-F593 HydrophobicContact CB-CD1 4.45Å; N325-F593 WeakPolarHBondContact CB-O 3.01Å; N325-A597 HydrophobicContact CB-CB 4.08Å |
| 326 | M | 95.6 | Very high | 95.4 | Very high | 12 Ų | 12 | 16.8 Ų | 16.8 | 6% | 0.059 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66 | -39.4 | 177.8 | -64 | -65.6 | -77.8 | 0 | 0 | 112.3 | A322 L323 V324 L329 V330 I393 I510 A597 | A322-M326 VanDerWaalsContact O-CG 3.32Å; A322-M326 WeakPolarHBondContact O-CG 3.37Å; A322-M326 PolarHBondContact O-N 3.46Å; A322-M326 VanDerWaalsContact O-N 3.12Å; L323-M326 PolarHBondContact O-N 2.89Å; V324-M326 VanDerWaalsContact C-N 3.31Å; V324-M326 PolarHBondContact O-N 3.03Å; M326-L329 WeakPolarHBondContact O-CB 3.42Å; M326-V330 VanDerWaalsContact O-CG2 3.31Å; M326-V330 WeakPolarHBondContact O-CG2 3.46Å; M326-V330 PolarHBondContact O-N 3.13Å; M326-I393 HydrophobicContact CE-CD1 3.45Å; M326-I393 VanDerWaalsContact CE-CD1 3.45Å; M326-I393 HydrophobicContact SD-CD1 3.66Å; M326-I510 HydrophobicContact CE-CB 3.79Å; M326-I510 HydrophobicContact CE-CG1 3.84Å; M326-I510 HydrophobicContact CE-CG2 3.4Å; M326-I510 VanDerWaalsContact CE-CG2 3.4Å; M326-A597 HydrophobicContact CG-CB 3.89Å; M326-A597 HydrophobicContact SD-CB 3.83Å |
| 327 | A | 95.1 | Very high | 95.6 | Very high | 12 Ų | 12 | 16.6 Ų | 16.6 | 10% | 0.099 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -67.1 | -39.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L323 V324 V330 S331 F541 A545 F546 | L323-A327 VanDerWaalsContact O-CB 3.29Å; L323-A327 WeakPolarHBondContact O-CB 3.37Å; L323-A327 PolarHBondContact O-N 3.22Å; V324-A327 PolarHBondContact O-N 2.98Å; A327-V330 PolarHBondContact O-N 3.29Å; A327-S331 VanDerWaalsContact O-CB 3.29Å; A327-S331 WeakPolarHBondContact O-CB 3.42Å; A327-S331 PolarHBondContact O-N 2.82Å; A327-F541 HydrophobicContact CB-CD1 4.46Å; A327-F541 HydrophobicContact CB-CG 4.41Å; A327-A545 HydrophobicContact CB-CB 3.7Å; A327-F546 HydrophobicContact CB-CE1 4.04Å; A327-F546 HydrophobicContact CB-CZ 4.2Å |
| 328 | A | 96.9 | Very high | 95.7 | Very high | 2 Ų | 2 | 14.1 Ų | 14.1 | 2% | 0.017 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -64.4 | -43.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | V324 N325 S331 G332 A545 F593 | V324-A328 WeakPolarHBondContact O-CB 3.41Å; V324-A328 PolarHBondContact O-N 3.34Å; N325-A328 PolarHBondContact O-N 2.68Å; A328-S331 PolarHBondContact O-N 3.3Å; A328-G332 PolarHBondContact O-N 3.17Å; A328-A545 HydrophobicContact CB-CB 3.8Å; A328-F593 HydrophobicContact CB-CD1 4.01Å; A328-F593 HydrophobicContact CB-CE1 3.62Å; A328-F593 HydrophobicContact CB-CE2 4.35Å; A328-F593 HydrophobicContact CB-CZ 3.81Å |
| 329 | L | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -54.7 | -57.4 | 171.2 | 171.3 | 66 | 0 | 0 | 0 | 111.5 | N325 M326 S331 G332 L333 I510 M590 F593 V594 | N325-L329 WeakPolarHBondContact O-CB 3.46Å; N325-L329 PolarHBondContact O-N 3.08Å; M326-L329 WeakPolarHBondContact O-CB 3.42Å; L329-S331 VanDerWaalsContact C-N 3.3Å; L329-S331 PolarHBondContact O-N 3.22Å; L329-G332 PolarHBondContact O-N 3.36Å; L329-L333 HydrophobicContact CD1-CD1 3.68Å; L329-L333 HydrophobicContact CD1-CG 3.94Å; L329-L333 HydrophobicContact CG-CD1 4.2Å; L329-L333 WeakPolarHBondContact O-CB 3.48Å; L329-L333 WeakPolarHBondContact O-CG 3.41Å; L329-L333 PolarHBondContact O-N 3.21Å; L329-I510 HydrophobicContact CD2-CD1 3.6Å; L329-I510 HydrophobicContact CD2-CG1 4.36Å; L329-M590 HydrophobicContact CD1-CB 3.55Å; L329-M590 HydrophobicContact CD1-CG 3.53Å; L329-M590 HydrophobicContact CD1-SD 4.39Å; L329-F593 HydrophobicContact CB-CB 3.94Å; L329-F593 HydrophobicContact CB-CD2 4.33Å; L329-F593 HydrophobicContact CB-CG 4.34Å; L329-V594 HydrophobicContact CD2-CG2 3.74Å |
| 330 | V | 93.8 | Very high | 95.8 | Very high | 71 Ų | 71 | 13 Ų | 13 | 43% | 0.43 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -61.4 | -39.8 | -177.7 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | M326 A327 A334 I510 | M326-V330 VanDerWaalsContact O-CG2 3.31Å; M326-V330 WeakPolarHBondContact O-CG2 3.46Å; M326-V330 PolarHBondContact O-N 3.13Å; A327-V330 PolarHBondContact O-N 3.29Å; V330-A334 WeakPolarHBondContact O-CB 3.28Å; V330-A334 PolarHBondContact O-N 3.4Å; V330-I510 HydrophobicContact CG2-CG2 3.93Å |
| 331 | S | 94.6 | Very high | 95.8 | Very high | 6 Ų | 6 | 13 Ų | 13 | 4% | 0.042 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.3 | -49 | 178 | -164.2 | 0 | 0 | 0 | 0 | 112.5 | A327 A328 L329 T335 P550 | A327-S331 VanDerWaalsContact O-CB 3.29Å; A327-S331 WeakPolarHBondContact O-CB 3.42Å; A327-S331 PolarHBondContact O-N 2.82Å; A328-S331 PolarHBondContact O-N 3.3Å; L329-S331 VanDerWaalsContact C-N 3.3Å; L329-S331 PolarHBondContact O-N 3.22Å; S331-T335 WeakPolarHBondContact O-CB 3.49Å; S331-T335 PolarHBondContact O-N 2.99Å; S331-T335 VanDerWaalsContact O-N 3.13Å; S331-T335 PolarHBondContact O-OG1 3.35Å; S331-P550 WeakPolarHBondContact OG-CD 3.2Å; S331-P550 WeakPolarHBondContact OG-CG 3.43Å |
| 332 | G | 95.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.5 | -46.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A328 L329 T335 F336 | A328-G332 PolarHBondContact O-N 3.17Å; L329-G332 PolarHBondContact O-N 3.36Å; G332-T335 PolarHBondContact O-N 3.02Å; G332-F336 PolarHBondContact O-N 3.42Å |
| 333 | L | 95.3 | Very high | 95.4 | Very high | 23 Ų | 23 | 12.1 Ų | 12.1 | 12% | 0.12 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.7 | -45.1 | 177.1 | -65.7 | -171 | 0 | 0 | 0 | 111.8 | L329 T335 F336 M337 Y553 F586 M590 | L329-L333 HydrophobicContact CD1-CD1 3.68Å; L329-L333 HydrophobicContact CD1-CG 3.94Å; L329-L333 HydrophobicContact CG-CD1 4.2Å; L329-L333 WeakPolarHBondContact O-CB 3.48Å; L329-L333 WeakPolarHBondContact O-CG 3.41Å; L329-L333 PolarHBondContact O-N 3.21Å; L333-T335 PolarHBondContact O-N 3.35Å; L333-F336 PolarHBondContact O-N 3.01Å; L333-M337 HydrophobicContact CB-CE 4.39Å; L333-M337 HydrophobicContact CD1-CE 4.05Å; L333-M337 HydrophobicContact CD2-CE 3.65Å; L333-M337 HydrophobicContact CG-CE 4.23Å; L333-M337 WeakPolarHBondContact O-CA 3.42Å; L333-M337 WeakPolarHBondContact O-CB 3.32Å; L333-M337 PolarHBondContact O-N 3.21Å; L333-Y553 HydrophobicContact CD2-CE1 3.86Å; L333-F586 HydrophobicContact CD2-CE1 3.7Å; L333-F586 HydrophobicContact CD2-CZ 3.97Å; L333-M590 HydrophobicContact CD1-CE 4.28Å; L333-M590 HydrophobicContact CD1-SD 3.91Å |
| 334 | A | 93.1 | Very high | 95.3 | Very high | 14 Ų | 14 | 11.7 Ų | 11.7 | 12% | 0.116 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -58.7 | -33.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K44 F208 V330 | K44-A334 HydrophobicContact CD-CB 4.46Å; F208-A334 VanDerWaalsContact CZ-O 3.23Å; F208-A334 WeakPolarHBondContact CZ-O 3.07Å; V330-A334 WeakPolarHBondContact O-CB 3.28Å; V330-A334 PolarHBondContact O-N 3.4Å |
| 335 | T | 96.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 11.2 Ų | 11.2 | 1% | 0.012 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -78.5 | -44.1 | -178.1 | -53.8 | 0 | 0 | 0 | 0 | 112.6 | I47 A65 S331 G332 L333 P550 | I47-T335 HydrophobicContact CD1-CG2 3.22Å; A65-T335 HydrophobicContact CB-CG2 3.69Å; S331-T335 WeakPolarHBondContact O-CB 3.49Å; S331-T335 PolarHBondContact O-N 2.99Å; S331-T335 VanDerWaalsContact O-N 3.13Å; S331-T335 PolarHBondContact O-OG1 3.35Å; G332-T335 PolarHBondContact O-N 3.02Å; L333-T335 PolarHBondContact O-N 3.35Å; T335-P550 HydrophobicContact CG2-CB 4.15Å |
| 336 | F | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -117.9 | -5.3 | -168.8 | -71.6 | -71 | 0 | 0 | 0 | 115.6 | I47 S58 G332 L333 P338 K339 F340 P550 I557 F586 | I47-F336 HydrophobicContact CG2-CE1 3.9Å; S58-F336 WeakPolarHBondContact O-CZ 3.47Å; G332-F336 PolarHBondContact O-N 3.42Å; L333-F336 PolarHBondContact O-N 3.01Å; F336-P338 VanDerWaalsContact C-CD 3.48Å; F336-K339 HydrophobicContact CD1-CD 4.15Å; F336-K339 WeakPolarHBondContact O-CB 3.22Å; F336-K339 PolarHBondContact O-N 2.81Å; F336-F340 PolarHBondContact O-N 3.14Å; F336-P550 HydrophobicContact CE2-CB 4.44Å; F336-P550 WeakPolarHBondContact CE2-O 3.21Å; F336-I557 HydrophobicContact CB-CD1 3.68Å; F336-I557 HydrophobicContact CD1-CD1 3.45Å; F336-I557 VanDerWaalsContact CD1-CD1 3.45Å; F336-I557 HydrophobicContact CD2-CD1 4.17Å; F336-I557 HydrophobicContact CE1-CD1 4.11Å; F336-I557 HydrophobicContact CG-CD1 3.49Å; F336-I557 VanDerWaalsContact CG-CD1 3.49Å; F336-F586 HydrophobicContact CB-CE2 3.69Å; F336-F586 HydrophobicContact CB-CZ 4.03Å |
| 337 | M | 96.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 12.5 Ų | 12.5 | 2% | 0.02 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -60.7 | -38.1 | 176 | -167.9 | 67.4 | 88.1 | 0 | 0 | 113.4 | L333 K339 F340 I341 I356 F499 M503 F586 | L333-M337 HydrophobicContact CB-CE 4.39Å; L333-M337 HydrophobicContact CD1-CE 4.05Å; L333-M337 HydrophobicContact CD2-CE 3.65Å; L333-M337 HydrophobicContact CG-CE 4.23Å; L333-M337 WeakPolarHBondContact O-CA 3.42Å; L333-M337 WeakPolarHBondContact O-CB 3.32Å; L333-M337 PolarHBondContact O-N 3.21Å; M337-K339 VanDerWaalsContact C-N 3.33Å; M337-K339 PolarHBondContact O-N 2.95Å; M337-F340 WeakPolarHBondContact O-CB 2.94Å; M337-F340 PolarHBondContact O-N 3.45Å; M337-F340 VanDerWaalsContact O-N 3.16Å; M337-F340 HydrophobicContact SD-CB 4.12Å; M337-F340 HydrophobicContact SD-CD1 3.82Å; M337-F340 HydrophobicContact SD-CG 4.2Å; M337-I341 HydrophobicContact CG-CD1 4.06Å; M337-I341 HydrophobicContact CG-CG1 4.35Å; M337-I341 WeakPolarHBondContact O-CG1 3.48Å; M337-I341 PolarHBondContact O-N 2.78Å; M337-I356 HydrophobicContact CB-CD1 3.99Å; M337-I356 HydrophobicContact CG-CD1 3.62Å; M337-F499 HydrophobicContact SD-CZ 4.41Å; M337-M503 HydrophobicContact CE-CG 4.22Å; M337-M503 HydrophobicContact CE-SD 3.98Å; M337-M503 HydrophobicContact CG-CE 4.41Å; M337-M503 HydrophobicContact CG-SD 3.82Å; M337-M503 HydrophobicContact SD-SD 4.18Å; M337-F586 HydrophobicContact CE-CE1 4.3Å; M337-F586 HydrophobicContact SD-CE1 4.01Å |
| 338 | P | 95.9 | Very high | 94.5 | Very high | 6 Ų | 6 | 13.5 Ų | 13.5 | 4% | 0.039 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57.2 | -46.7 | 173.1 | -19.8 | 27.4 | 0 | 0 | 0 | 112.1 | F208 F336 F340 I341 E342 S352 N353 I356 | F208-P338 HydrophobicContact CD1-CG 4.35Å; F208-P338 HydrophobicContact CE1-CG 3.68Å; F336-P338 VanDerWaalsContact C-CD 3.48Å; P338-F340 VanDerWaalsContact C-N 3.32Å; P338-F340 PolarHBondContact O-N 3.23Å; P338-I341 PolarHBondContact O-N 2.86Å; P338-E342 VanDerWaalsContact O-CB 3.27Å; P338-E342 WeakPolarHBondContact O-CB 3.37Å; P338-E342 PolarHBondContact O-N 3.29Å; P338-S352 WeakPolarHBondContact O-CB 3.5Å; P338-N353 WeakPolarHBondContact CB-OD1 3.22Å; P338-I356 HydrophobicContact CG-CG1 3.9Å |
| 339 | K | 95.9 | Very high | 94.3 | Very high | 9 Ų | 9 | 13.6 Ų | 13.6 | 4% | 0.039 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -62.2 | -38.8 | 175.7 | -178.7 | 176.2 | -179.3 | 172 | 0 | 111.9 | E51 S58 F336 M337 K343 Y577 | E51-K339 IonicContact OE1-NZ 2.82Å; E51-K339 WeakPolarHBondContact OE2-CE 3.43Å; E51-K339 IonicContact OE2-NZ 3.79Å; E51-K339 PolarHBondContact OE2-NZ 3.07Å; S58-K339 PolarHBondContact OG-NZ 3.07Å; F336-K339 HydrophobicContact CD1-CD 4.15Å; F336-K339 WeakPolarHBondContact O-CB 3.22Å; F336-K339 PolarHBondContact O-N 2.81Å; M337-K339 VanDerWaalsContact C-N 3.33Å; M337-K339 PolarHBondContact O-N 2.95Å; K339-K343 WeakPolarHBondContact O-CG 3.13Å; K339-K343 PolarHBondContact O-N 2.88Å; K339-Y577 VanDerWaalsContact CE-OH 3.3Å; K339-Y577 WeakPolarHBondContact CE-OH 3.5Å; K339-Y577 PolarHBondContact NZ-OH 3.26Å |
| 340 | F | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -59.6 | -51.4 | 174.3 | -178.9 | -92.8 | 0 | 0 | 0 | 111 | F336 M337 P338 E342 K343 Q344 F345 F499 F582 R583 F586 L587 | F336-F340 PolarHBondContact O-N 3.14Å; M337-F340 WeakPolarHBondContact O-CB 2.94Å; M337-F340 PolarHBondContact O-N 3.45Å; M337-F340 VanDerWaalsContact O-N 3.16Å; M337-F340 HydrophobicContact SD-CB 4.12Å; M337-F340 HydrophobicContact SD-CD1 3.82Å; M337-F340 HydrophobicContact SD-CG 4.2Å; P338-F340 VanDerWaalsContact C-N 3.32Å; P338-F340 PolarHBondContact O-N 3.23Å; F340-E342 PolarHBondContact O-N 2.99Å; F340-K343 PolarHBondContact O-N 2.99Å; F340-Q344 HydrophobicContact CD1-CB 4.27Å; F340-Q344 HydrophobicContact CE1-CB 3.94Å; F340-Q344 HydrophobicContact CE1-CG 3.91Å; F340-Q344 HydrophobicContact CE2-CB 4.32Å; F340-Q344 HydrophobicContact CE2-CG 4.33Å; F340-Q344 HydrophobicContact CZ-CB 3.98Å; F340-Q344 HydrophobicContact CZ-CG 3.7Å; F340-Q344 WeakPolarHBondContact O-CA 3.39Å; F340-Q344 WeakPolarHBondContact O-CB 3.3Å; F340-Q344 PolarHBondContact O-N 2.98Å; F340-F345 HydrophobicContact CE1-CE2 4.45Å; F340-F499 HydrophobicContact CD1-CE1 4.4Å; F340-F499 AromaticContact CD1-CZ 3.96Å; F340-F499 HydrophobicContact CD1-CZ 3.96Å; F340-F499 HydrophobicContact CE1-CE1 4.18Å; F340-F499 AromaticContact CE1-CE2 3.86Å; F340-F499 HydrophobicContact CE1-CE2 3.86Å; F340-F499 AromaticContact CE1-CZ 3.44Å; F340-F499 HydrophobicContact CE1-CZ 3.44Å; F340-F499 VanDerWaalsContact CE1-CZ 3.44Å; F340-F499 HydrophobicContact CZ-CZ 4.48Å; F340-F582 HydrophobicContact CB-CZ 4.33Å; F340-F582 HydrophobicContact CD2-CD2 4.23Å; F340-F582 HydrophobicContact CD2-CE1 4.28Å; F340-F582 AromaticContact CD2-CE2 3.72Å; F340-F582 HydrophobicContact CD2-CE2 3.72Å; F340-F582 AromaticContact CD2-CZ 3.78Å; F340-F582 HydrophobicContact CD2-CZ 3.78Å; F340-F582 HydrophobicContact CE2-CD2 4.44Å; F340-F582 HydrophobicContact CE2-CE2 4.36Å; F340-R583 HydrophobicContact CE2-CB 4.39Å; F340-R583 HydrophobicContact CZ-CB 4.27Å; F340-R583 HydrophobicContact CZ-CG 4.15Å; F340-F586 HydrophobicContact CB-CD1 4.36Å; F340-F586 HydrophobicContact CB-CE1 3.94Å; F340-F586 HydrophobicContact CB-CZ 4.11Å; F340-F586 HydrophobicContact CD2-CB 4.17Å; F340-F586 AromaticContact CD2-CD1 3.48Å; F340-F586 HydrophobicContact CD2-CD1 3.48Å; F340-F586 VanDerWaalsContact CD2-CD1 3.48Å; F340-F586 HydrophobicContact CD2-CD2 4.48Å; F340-F586 AromaticContact CD2-CE1 3.94Å; F340-F586 HydrophobicContact CD2-CE1 3.94Å; F340-F586 AromaticContact CD2-CG 3.81Å; F340-F586 HydrophobicContact CD2-CG 3.81Å; F340-F586 HydrophobicContact CE2-CB 4.2Å; F340-F586 AromaticContact CE2-CD1 3.92Å; F340-F586 HydrophobicContact CE2-CD1 3.92Å; F340-F586 HydrophobicContact CE2-CG 4.26Å; F340-F586 AromaticContact CG-CD1 3.92Å; F340-F586 HydrophobicContact CG-CD1 3.92Å; F340-F586 AromaticContact CG-CE1 3.9Å; F340-F586 HydrophobicContact CG-CE1 3.9Å; F340-L587 HydrophobicContact CE1-CD1 4.45Å; F340-L587 HydrophobicContact CE2-CG 4.49Å; F340-L587 HydrophobicContact CZ-CD1 3.97Å; F340-L587 HydrophobicContact CZ-CG 4.13Å |
| 341 | I | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 179.7 | -64.8 | 167.2 | 0 | 0 | 0 | 110.9 | M337 P338 K343 F345 Q347 S352 M355 I356 L496 F499 I500 M503 | M337-I341 HydrophobicContact CG-CD1 4.06Å; M337-I341 HydrophobicContact CG-CG1 4.35Å; M337-I341 WeakPolarHBondContact O-CG1 3.48Å; M337-I341 PolarHBondContact O-N 2.78Å; P338-I341 PolarHBondContact O-N 2.86Å; I341-K343 VanDerWaalsContact C-N 3.33Å; I341-K343 PolarHBondContact O-N 3.2Å; I341-F345 PolarHBondContact O-N 3.39Å; I341-F345 VanDerWaalsContact O-N 3.17Å; I341-Q347 HydrophobicContact CG2-CB 4.41Å; I341-Q347 HydrophobicContact CG2-CG 4.35Å; I341-S352 WeakPolarHBondContact CG2-OG 3.45Å; I341-M355 HydrophobicContact CD1-CB 4.46Å; I341-M355 HydrophobicContact CG2-SD 3.98Å; I341-I356 HydrophobicContact CD1-CD1 3.77Å; I341-L496 HydrophobicContact CG2-CD1 4.07Å; I341-F499 HydrophobicContact CG1-CE1 4.32Å; I341-I500 HydrophobicContact CD1-CD1 3.93Å; I341-M503 HydrophobicContact CD1-SD 4.41Å |
| 342 | E | 93.1 | Very high | 94.3 | Very high | 8 Ų | 8 | 13.5 Ų | 13.5 | 4% | 0.037 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -52.6 | -49.5 | 176.9 | -177.7 | -157.6 | 125 | 0 | 0 | 111.2 | S48 R52 P338 F340 S346 Q347 I349 S352 | S48-E342 WeakPolarHBondContact CB-OE2 3.34Å; S48-E342 PolarHBondContact OG-OE2 3.29Å; R52-E342 IonicContact CZ-OE1 3.45Å; R52-E342 IonicContact NE-OE1 3.01Å; R52-E342 IonicContact NH2-OE1 2.78Å; R52-E342 PolarHBondContact NH2-OE1 3.16Å; P338-E342 VanDerWaalsContact O-CB 3.27Å; P338-E342 WeakPolarHBondContact O-CB 3.37Å; P338-E342 PolarHBondContact O-N 3.29Å; F340-E342 PolarHBondContact O-N 2.99Å; E342-S346 CarbonylContact O-C 3.47Å; E342-S346 VanDerWaalsContact O-CA 3.32Å; E342-S346 WeakPolarHBondContact O-CA 3.41Å; E342-S346 PolarHBondContact O-N 3.19Å; E342-Q347 WeakPolarHBondContact CG-O 3.23Å; E342-Q347 PolarHBondContact O-N 3.05Å; E342-Q347 VanDerWaalsContact O-N 3.08Å; E342-I349 HydrophobicContact CG-CG1 4.17Å; E342-I349 WeakPolarHBondContact OE2-CG1 3.09Å; E342-S352 PolarHBondContact N-OG 3.37Å |
| 343 | K | 92.3 | Very high | 94.4 | Very high | 31 Ų | 31 | 13.5 Ų | 13.5 | 14% | 0.135 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -84.4 | -41.4 | -176.7 | -62.6 | -58 | -176.5 | -179.3 | 0 | 113.8 | K339 F340 I341 F345 Y577 F582 | K339-K343 WeakPolarHBondContact O-CG 3.13Å; K339-K343 PolarHBondContact O-N 2.88Å; F340-K343 PolarHBondContact O-N 2.99Å; I341-K343 VanDerWaalsContact C-N 3.33Å; I341-K343 PolarHBondContact O-N 3.2Å; K343-F345 VanDerWaalsContact C-N 3.32Å; K343-F345 PolarHBondContact O-N 3.39Å; K343-Y577 HydrophobicContact CD-CD2 4.47Å; K343-Y577 HydrophobicContact CG-CD2 4.36Å; K343-Y577 HydrophobicContact CG-CE2 4.45Å; K343-F582 HydrophobicContact CB-CE1 4Å |
| 344 | Q | 93.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -72.4 | -25.5 | -173.8 | -171.5 | 59.3 | 46 | 0 | 0 | 113.1 | F340 C408 L579 | F340-Q344 HydrophobicContact CD1-CB 4.27Å; F340-Q344 HydrophobicContact CE1-CB 3.94Å; F340-Q344 HydrophobicContact CE1-CG 3.91Å; F340-Q344 HydrophobicContact CE2-CB 4.32Å; F340-Q344 HydrophobicContact CE2-CG 4.33Å; F340-Q344 HydrophobicContact CZ-CB 3.98Å; F340-Q344 HydrophobicContact CZ-CG 3.7Å; F340-Q344 WeakPolarHBondContact O-CA 3.39Å; F340-Q344 WeakPolarHBondContact O-CB 3.3Å; F340-Q344 PolarHBondContact O-N 2.98Å; Q344-C408 PolarHBondContact NE2-O 2.88Å; Q344-C408 WeakPolarHBondContact O-CB 3.37Å; Q344-C408 PolarHBondContact O-SG 3.02Å; Q344-L579 PolarHBondContact OE1-O 2.92Å |
| 345 | F | 92.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | 12.2 | -177.4 | -62.4 | -81.6 | 0 | 0 | 0 | 113.3 | F340 I341 K343 Q347 L495 L496 F499 | F340-F345 HydrophobicContact CE1-CE2 4.45Å; I341-F345 PolarHBondContact O-N 3.39Å; I341-F345 VanDerWaalsContact O-N 3.17Å; K343-F345 VanDerWaalsContact C-N 3.32Å; K343-F345 PolarHBondContact O-N 3.39Å; F345-Q347 VanDerWaalsContact C-N 3.26Å; F345-Q347 HydrophobicContact CB-CG 3.89Å; F345-Q347 PolarHBondContact O-N 3.33Å; F345-Q347 PolarHBondContact O-NE2 3Å; F345-L495 HydrophobicContact CE1-CB 4.01Å; F345-L496 HydrophobicContact CB-CD1 3.97Å; F345-L496 HydrophobicContact CD1-CB 3.95Å; F345-L496 HydrophobicContact CD1-CD1 4.18Å; F345-L496 HydrophobicContact CD2-CD1 3.78Å; F345-L496 HydrophobicContact CE1-CB 4.4Å; F345-L496 HydrophobicContact CE2-CD1 4.31Å; F345-L496 HydrophobicContact CG-CB 4.29Å; F345-L496 HydrophobicContact CG-CD1 3.72Å; F345-F499 HydrophobicContact CE1-CB 4.4Å; F345-F499 HydrophobicContact CE2-CB 4.2Å; F345-F499 AromaticContact CE2-CD1 3.72Å; F345-F499 HydrophobicContact CE2-CD1 3.72Å; F345-F499 HydrophobicContact CE2-CD2 4.11Å; F345-F499 HydrophobicContact CE2-CE1 4.11Å; F345-F499 HydrophobicContact CE2-CE2 4.46Å; F345-F499 AromaticContact CE2-CG 3.73Å; F345-F499 HydrophobicContact CE2-CG 3.73Å; F345-F499 HydrophobicContact CE2-CZ 4.48Å; F345-F499 HydrophobicContact CZ-CB 3.65Å; F345-F499 HydrophobicContact CZ-CD1 4.04Å; F345-F499 AromaticContact CZ-CD2 3.86Å; F345-F499 HydrophobicContact CZ-CD2 3.86Å; F345-F499 AromaticContact CZ-CG 3.57Å; F345-F499 HydrophobicContact CZ-CG 3.57Å |
| 346 | S | 90.4 | Very high | 94.3 | Very high | 31 Ų | 31 | 16.7 Ų | 16.7 | 22% | 0.217 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.9 | 42.4 | -180 | -49.3 | 0 | 0 | 0 | 0 | 113.3 | E342 S490 | E342-S346 CarbonylContact O-C 3.47Å; E342-S346 VanDerWaalsContact O-CA 3.32Å; E342-S346 WeakPolarHBondContact O-CA 3.41Å; E342-S346 PolarHBondContact O-N 3.19Å; S346-S490 WeakPolarHBondContact OG-CB 3.45Å; S346-S490 PolarHBondContact OG-OG 2.81Å; S346-S490 VanDerWaalsContact OG-OG 3.08Å |
| 347 | Q | 91.6 | Very high | 94.1 | Very high | 44 Ų | 44 | 16.9 Ų | 16.9 | 21% | 0.206 | 9% | 0.089 | C | C | . | . | trans | -96.4 | 158.6 | -178.4 | -61.5 | -55.4 | -47.6 | 0 | 0 | 111.5 | I341 E342 F345 L496 | I341-Q347 HydrophobicContact CG2-CB 4.41Å; I341-Q347 HydrophobicContact CG2-CG 4.35Å; E342-Q347 WeakPolarHBondContact CG-O 3.23Å; E342-Q347 PolarHBondContact O-N 3.05Å; E342-Q347 VanDerWaalsContact O-N 3.08Å; F345-Q347 VanDerWaalsContact C-N 3.26Å; F345-Q347 HydrophobicContact CB-CG 3.89Å; F345-Q347 PolarHBondContact O-N 3.33Å; F345-Q347 PolarHBondContact O-NE2 3Å; Q347-L496 HydrophobicContact CG-CD2 3.77Å | ||
| 348 | T | 93.1 | Very high | 93.8 | Very high | 33 Ų | 33 | 18.4 Ų | 18.4 | 20% | 0.202 | 11% | 0.106 | C | C | . | . | trans | -75.1 | 149.9 | 177.8 | 68.5 | 0 | 0 | 0 | 0 | 111.3 | Q233 K234 P350 L351 S352 | Q233-T348 HydrophobicContact CB-CG2 4.33Å; K234-T348 HydrophobicContact CB-CG2 4.47Å; T348-P350 VanDerWaalsContact C-N 3.34Å; T348-L351 PolarHBondContact O-N 3.47Å; T348-L351 VanDerWaalsContact O-N 3.08Å; T348-L351 WeakPolarHBondContact OG1-CB 3.48Å; T348-L351 PolarHBondContact OG1-N 3.38Å; T348-S352 PolarHBondContact O-N 3.48Å; T348-S352 PolarHBondContact O-OG 3.46Å | ||
| 349 | I | 92.6 | Very high | 93.6 | Very high | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -52.5 | -46.4 | 176.5 | -62.7 | 160.4 | 0 | 0 | 0 | 111.6 | M215 E342 L351 N353 | M215-I349 HydrophobicContact CB-CG2 4.01Å; M215-I349 HydrophobicContact CG-CG2 4Å; E342-I349 HydrophobicContact CG-CG1 4.17Å; E342-I349 WeakPolarHBondContact OE2-CG1 3.09Å; I349-L351 PolarHBondContact O-N 3.13Å; I349-N353 WeakPolarHBondContact O-CB 3.15Å; I349-N353 PolarHBondContact O-N 3.14Å; I349-N353 VanDerWaalsContact O-N 3.1Å; I349-N353 PolarHBondContact O-ND2 3.24Å |
| 350 | P | 95.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 3% | 0.026 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -53.6 | -47.6 | 173.9 | -32.3 | 39.3 | 0 | 0 | 0 | 114.5 | S212 M215 R216 T348 N353 M354 | S212-P350 VanDerWaalsContact CB-O 3.26Å; S212-P350 WeakPolarHBondContact CB-O 3.42Å; S212-P350 VanDerWaalsContact O-CB 3.29Å; S212-P350 WeakPolarHBondContact O-CB 3.46Å; S212-P350 PolarHBondContact OG-O 3.5Å; M215-P350 HydrophobicContact CB-CG 4.15Å; R216-P350 HydrophobicContact CG-CB 3.97Å; R216-P350 HydrophobicContact CG-CG 3.75Å; T348-P350 VanDerWaalsContact C-N 3.34Å; P350-N353 PolarHBondContact O-N 2.89Å; P350-M354 PolarHBondContact O-N 2.74Å |
| 351 | L | 94.6 | Very high | 93 | Very high | 70 Ų | 70 | 23.7 Ų | 23.7 | 37% | 0.366 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -70.4 | -42 | -174.5 | -178.3 | 59.9 | 0 | 0 | 0 | 111.4 | T348 I349 N353 M354 M355 | T348-L351 PolarHBondContact O-N 3.47Å; T348-L351 VanDerWaalsContact O-N 3.08Å; T348-L351 WeakPolarHBondContact OG1-CB 3.48Å; T348-L351 PolarHBondContact OG1-N 3.38Å; I349-L351 PolarHBondContact O-N 3.13Å; L351-N353 VanDerWaalsContact C-N 3.32Å; L351-N353 PolarHBondContact O-N 3.44Å; L351-M354 WeakPolarHBondContact O-CB 3.3Å; L351-M354 PolarHBondContact O-N 3.29Å; L351-M354 VanDerWaalsContact O-N 3.16Å; L351-M355 HydrophobicContact CD1-CE 3.89Å; L351-M355 HydrophobicContact CD2-CE 4Å; L351-M355 HydrophobicContact CG-CE 3.67Å; L351-M355 WeakPolarHBondContact O-CG 3.36Å; L351-M355 PolarHBondContact O-N 3.14Å |
| 352 | S | 95.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 175.3 | -59.8 | 0 | 0 | 0 | 0 | 111.9 | P338 I341 E342 T348 M355 I356 | P338-S352 WeakPolarHBondContact O-CB 3.5Å; I341-S352 WeakPolarHBondContact CG2-OG 3.45Å; E342-S352 PolarHBondContact N-OG 3.37Å; T348-S352 PolarHBondContact O-N 3.48Å; T348-S352 PolarHBondContact O-OG 3.46Å; S352-M355 PolarHBondContact O-N 2.98Å; S352-I356 PolarHBondContact O-N 3.32Å |
| 353 | N | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | 175 | -79.6 | -29.3 | 0 | 0 | 0 | 112.6 | S45 P338 I349 P350 L351 M355 I356 G357 | S45-N353 WeakPolarHBondContact CA-OD1 3.45Å; S45-N353 WeakPolarHBondContact CB-OD1 3.41Å; S45-N353 PolarHBondContact O-ND2 3.04Å; P338-N353 WeakPolarHBondContact CB-OD1 3.22Å; I349-N353 WeakPolarHBondContact O-CB 3.15Å; I349-N353 PolarHBondContact O-N 3.14Å; I349-N353 VanDerWaalsContact O-N 3.1Å; I349-N353 PolarHBondContact O-ND2 3.24Å; P350-N353 PolarHBondContact O-N 2.89Å; L351-N353 VanDerWaalsContact C-N 3.32Å; L351-N353 PolarHBondContact O-N 3.44Å; N353-M355 VanDerWaalsContact C-N 3.34Å; N353-M355 PolarHBondContact O-N 3.32Å; N353-I356 PolarHBondContact O-N 3.05Å; N353-G357 PolarHBondContact O-N 3.13Å |
| 354 | M | 95.8 | Very high | 92.8 | Very high | 73 Ų | 73 | 28.3 Ų | 28.3 | 36% | 0.36 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -63.5 | -38.8 | 176 | -176.1 | 58 | 72.6 | 0 | 0 | 112 | V209 P350 L351 I356 G358 | V209-M354 HydrophobicContact CG1-CE 4.31Å; V209-M354 HydrophobicContact CG2-SD 4.4Å; P350-M354 PolarHBondContact O-N 2.74Å; L351-M354 WeakPolarHBondContact O-CB 3.3Å; L351-M354 PolarHBondContact O-N 3.29Å; L351-M354 VanDerWaalsContact O-N 3.16Å; M354-I356 VanDerWaalsContact C-N 3.33Å; M354-I356 PolarHBondContact O-N 2.97Å; M354-G358 VanDerWaalsContact O-CA 3.3Å; M354-G358 WeakPolarHBondContact O-CA 3.15Å; M354-G358 PolarHBondContact O-N 3.09Å |
| 355 | M | 94.4 | Very high | 92.5 | Very high | 25 Ų | 25 | 30.7 Ų | 30.7 | 12% | 0.123 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -62.9 | -40 | 177.5 | -70.2 | 171.3 | 180 | 0 | 0 | 111.9 | I341 L351 S352 N353 I359 G360 L496 I500 | I341-M355 HydrophobicContact CD1-CB 4.46Å; I341-M355 HydrophobicContact CG2-SD 3.98Å; L351-M355 HydrophobicContact CD1-CE 3.89Å; L351-M355 HydrophobicContact CD2-CE 4Å; L351-M355 HydrophobicContact CG-CE 3.67Å; L351-M355 WeakPolarHBondContact O-CG 3.36Å; L351-M355 PolarHBondContact O-N 3.14Å; S352-M355 PolarHBondContact O-N 2.98Å; N353-M355 VanDerWaalsContact C-N 3.34Å; N353-M355 PolarHBondContact O-N 3.32Å; M355-I359 WeakPolarHBondContact O-CB 3.36Å; M355-I359 PolarHBondContact O-N 3.2Å; M355-G360 PolarHBondContact O-N 2.82Å; M355-G360 VanDerWaalsContact O-N 3.09Å; M355-L496 HydrophobicContact CE-CD1 4.39Å; M355-L496 HydrophobicContact CE-CD2 3.77Å; M355-L496 HydrophobicContact CE-CG 4.25Å; M355-L496 HydrophobicContact SD-CD1 4.25Å; M355-I500 HydrophobicContact CB-CD1 4.12Å; M355-I500 HydrophobicContact CG-CD1 4.24Å; M355-I500 HydrophobicContact SD-CD1 3.67Å; M355-I500 HydrophobicContact SD-CG1 3.97Å |
| 356 | I | 93.8 | Very high | 92.5 | Very high | 9 Ų | 9 | 34.8 Ų | 34.8 | 5% | 0.046 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -70.8 | -52.3 | 176.9 | -55 | -46.9 | 0 | 0 | 0 | 111.3 | F208 M337 P338 I341 S352 N353 M354 G360 M361 M503 | F208-I356 HydrophobicContact CD1-CB 4.16Å; F208-I356 HydrophobicContact CD1-CG2 4.14Å; F208-I356 HydrophobicContact CD2-CG2 4.17Å; F208-I356 HydrophobicContact CE1-CB 4.47Å; F208-I356 HydrophobicContact CE1-CG2 4.16Å; F208-I356 HydrophobicContact CE2-CG2 4.18Å; F208-I356 HydrophobicContact CG-CB 4.41Å; F208-I356 HydrophobicContact CG-CG2 4.17Å; F208-I356 HydrophobicContact CZ-CG2 4.19Å; M337-I356 HydrophobicContact CB-CD1 3.99Å; M337-I356 HydrophobicContact CG-CD1 3.62Å; P338-I356 HydrophobicContact CG-CG1 3.9Å; I341-I356 HydrophobicContact CD1-CD1 3.77Å; S352-I356 PolarHBondContact O-N 3.32Å; N353-I356 PolarHBondContact O-N 3.05Å; M354-I356 VanDerWaalsContact C-N 3.33Å; M354-I356 PolarHBondContact O-N 2.97Å; I356-G360 WeakPolarHBondContact O-CA 3.49Å; I356-G360 PolarHBondContact O-N 2.91Å; I356-M361 HydrophobicContact CG2-CE 4.35Å; I356-M361 PolarHBondContact O-N 3.23Å; I356-M503 HydrophobicContact CD1-CE 3.45Å; I356-M503 VanDerWaalsContact CD1-CE 3.45Å; I356-M503 HydrophobicContact CD1-SD 4.18Å |
| 357 | G | 92.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -73.4 | -37.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N353 P362 | N353-G357 PolarHBondContact O-N 3.13Å; G357-P362 WeakPolarHBondContact O-CD 3.41Å |
| 358 | G | 91.4 | Very high | 92.5 | Very high | 37 Ų | 37 | 33.4 Ų | 33.4 | 38% | 0.381 | 20% | 0.195 | S | C | . | . | I | π-helix | trans | -91.3 | -24.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | M354 | M354-G358 VanDerWaalsContact O-CA 3.3Å; M354-G358 WeakPolarHBondContact O-CA 3.15Å; M354-G358 PolarHBondContact O-N 3.09Å |
| 359 | I | 90.7 | Very high | 92.3 | Very high | 79 Ų | 79 | 36.1 Ų | 36.1 | 41% | 0.405 | 21% | 0.211 | S | C | . | . | I | π-helix | trans | -117.8 | -53.1 | -179.7 | -56.4 | 174.1 | 0 | 0 | 0 | 110.8 | M355 P362 L363 I500 | M355-I359 WeakPolarHBondContact O-CB 3.36Å; M355-I359 PolarHBondContact O-N 3.2Å; I359-P362 WeakPolarHBondContact O-CD 3.21Å; I359-L363 HydrophobicContact CG2-CD1 3.96Å; I359-L363 WeakPolarHBondContact O-CG 3.41Å; I359-L363 PolarHBondContact O-N 2.9Å; I359-I500 HydrophobicContact CD1-CG2 4.18Å |
| 360 | G | 89.8 | Confident | 92.2 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -61.7 | -49.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114.2 | M355 I356 A364 S507 | M355-G360 PolarHBondContact O-N 2.82Å; M355-G360 VanDerWaalsContact O-N 3.09Å; I356-G360 WeakPolarHBondContact O-CA 3.49Å; I356-G360 PolarHBondContact O-N 2.91Å; G360-A364 PolarHBondContact O-N 3.17Å; G360-A364 VanDerWaalsContact O-N 3.1Å; G360-S507 PolarHBondContact O-OG 2.76Å |
| 361 | M | 90.3 | Very high | 92 | Very high | 41 Ų | 41 | 39.3 Ų | 39.3 | 20% | 0.202 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -69.1 | -44.2 | -177.4 | -66.5 | -70.2 | -179 | 0 | 0 | 113.5 | A205 F208 I356 L363 A364 V365 | A205-M361 HydrophobicContact CB-CB 3.6Å; A205-M361 HydrophobicContact CB-CG 4.01Å; F208-M361 HydrophobicContact CD2-CE 4.09Å; F208-M361 HydrophobicContact CE2-CE 3.84Å; I356-M361 HydrophobicContact CG2-CE 4.35Å; I356-M361 PolarHBondContact O-N 3.23Å; M361-L363 VanDerWaalsContact C-N 3.34Å; M361-L363 PolarHBondContact O-N 3.35Å; M361-A364 WeakPolarHBondContact O-CB 3.31Å; M361-A364 PolarHBondContact O-N 3.11Å; M361-A364 VanDerWaalsContact O-N 3.16Å; M361-V365 PolarHBondContact O-N 2.86Å |
| 362 | P | 90.8 | Very high | 91.5 | Very high | 65 Ų | 65 | 37 Ų | 37 | 42% | 0.422 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.6 | -40.5 | 174.3 | -28.8 | 38 | 0 | 0 | 0 | 113.7 | G357 I359 A364 V365 L366 | G357-P362 WeakPolarHBondContact O-CD 3.41Å; I359-P362 WeakPolarHBondContact O-CD 3.21Å; P362-A364 VanDerWaalsContact C-N 3.32Å; P362-A364 PolarHBondContact O-N 3.43Å; P362-V365 PolarHBondContact O-N 3.49Å; P362-L366 PolarHBondContact O-N 2.64Å |
| 363 | L | 92.8 | Very high | 91.1 | Very high | 56 Ų | 56 | 39.5 Ų | 39.5 | 29% | 0.293 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.6 | -36.5 | 175.1 | -74.5 | 175.4 | 0 | 0 | 0 | 112.2 | I359 M361 L366 G367 F508 | I359-L363 HydrophobicContact CG2-CD1 3.96Å; I359-L363 WeakPolarHBondContact O-CG 3.41Å; I359-L363 PolarHBondContact O-N 2.9Å; M361-L363 VanDerWaalsContact C-N 3.34Å; M361-L363 PolarHBondContact O-N 3.35Å; L363-L366 PolarHBondContact O-N 3.25Å; L363-G367 PolarHBondContact O-N 3.1Å; L363-F508 WeakPolarHBondContact O-CD2 3.21Å |
| 364 | A | 91.2 | Very high | 90.8 | Very high | 16 Ų | 16 | 41.9 Ų | 41.9 | 13% | 0.132 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G360 M361 P362 L366 G367 V368 S511 | G360-A364 PolarHBondContact O-N 3.17Å; G360-A364 VanDerWaalsContact O-N 3.1Å; M361-A364 WeakPolarHBondContact O-CB 3.31Å; M361-A364 PolarHBondContact O-N 3.11Å; M361-A364 VanDerWaalsContact O-N 3.16Å; P362-A364 VanDerWaalsContact C-N 3.32Å; P362-A364 PolarHBondContact O-N 3.43Å; A364-L366 PolarHBondContact O-N 3.05Å; A364-G367 WeakPolarHBondContact O-CA 3.3Å; A364-G367 PolarHBondContact O-N 3.21Å; A364-G367 VanDerWaalsContact O-N 3.11Å; A364-V368 PolarHBondContact O-N 3.46Å; A364-S511 WeakPolarHBondContact CA-OG 3.45Å; A364-S511 VanDerWaalsContact CB-OG 3.23Å; A364-S511 WeakPolarHBondContact CB-OG 3.31Å; A364-S511 WeakPolarHBondContact O-CB 3.31Å |
| 365 | V | 88.4 | Confident | 90.3 | Very high | 50 Ų | 50 | 38.8 Ų | 38.8 | 30% | 0.303 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.4 | -46.5 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 111.3 | M361 P362 G367 V368 V369 | M361-V365 PolarHBondContact O-N 2.86Å; P362-V365 PolarHBondContact O-N 3.49Å; V365-G367 VanDerWaalsContact C-N 3.26Å; V365-G367 PolarHBondContact O-N 3.36Å; V365-V368 PolarHBondContact O-N 3.49Å; V365-V369 WeakPolarHBondContact O-CG2 3.34Å; V365-V369 PolarHBondContact O-N 2.82Å; V365-V369 VanDerWaalsContact O-N 3.1Å |
| 366 | L | 91.6 | Very high | 89.8 | Confident | 86 Ų | 86 | 47.4 Ų | 47.4 | 45% | 0.45 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.4 | -40.6 | 176.6 | -176.2 | 63.2 | 0 | 0 | 0 | 111.6 | P362 L363 A364 V369 L370 F508 | P362-L366 PolarHBondContact O-N 2.64Å; L363-L366 PolarHBondContact O-N 3.25Å; A364-L366 PolarHBondContact O-N 3.05Å; L366-V369 PolarHBondContact O-N 3.09Å; L366-L370 HydrophobicContact CD1-CD1 4.13Å; L366-L370 HydrophobicContact CD1-CG 4.23Å; L366-L370 HydrophobicContact CG-CD1 4.05Å; L366-L370 HydrophobicContact CG-CG 4.48Å; L366-L370 WeakPolarHBondContact O-CB 3.45Å; L366-L370 WeakPolarHBondContact O-CG 3.45Å; L366-L370 PolarHBondContact O-N 2.81Å; L366-F508 HydrophobicContact CB-CD2 4.49Å; L366-F508 HydrophobicContact CB-CE2 4.43Å; L366-F508 HydrophobicContact CD2-CE2 4.31Å; L366-F508 HydrophobicContact CG-CD2 4.47Å; L366-F508 HydrophobicContact CG-CE2 4.03Å |
| 367 | G | 93.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.8 | -53.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L363 A364 V365 V369 L370 G371 F508 F512 | L363-G367 PolarHBondContact O-N 3.1Å; A364-G367 WeakPolarHBondContact O-CA 3.3Å; A364-G367 PolarHBondContact O-N 3.21Å; A364-G367 VanDerWaalsContact O-N 3.11Å; V365-G367 VanDerWaalsContact C-N 3.26Å; V365-G367 PolarHBondContact O-N 3.36Å; G367-V369 VanDerWaalsContact C-N 3.32Å; G367-V369 PolarHBondContact O-N 2.85Å; G367-L370 PolarHBondContact O-N 3.23Å; G367-G371 PolarHBondContact O-N 2.67Å; G367-F508 VanDerWaalsContact CA-CE2 3.46Å; G367-F512 VanDerWaalsContact O-CA 3.3Å; G367-F512 WeakPolarHBondContact O-CA 3.44Å |
| 368 | V | 89.6 | Confident | 89.4 | Confident | 45 Ų | 45 | 63 Ų | 63 | 27% | 0.273 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.3 | -46.2 | 179.8 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | A364 V365 G371 G372 T515 | A364-V368 PolarHBondContact O-N 3.46Å; V365-V368 PolarHBondContact O-N 3.49Å; V368-G371 PolarHBondContact O-N 3.19Å; V368-G372 PolarHBondContact O-N 2.85Å; V368-T515 WeakPolarHBondContact CG1-OG1 3.24Å; V368-T515 PolarHBondContact O-OG1 2.61Å |
| 369 | V | 87.7 | Confident | 89.2 | Confident | 90 Ų | 90 | 67.8 Ų | 67.8 | 55% | 0.545 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.2 | -48.1 | -179.6 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | V365 L366 G367 G371 G372 A373 | V365-V369 WeakPolarHBondContact O-CG2 3.34Å; V365-V369 PolarHBondContact O-N 2.82Å; V365-V369 VanDerWaalsContact O-N 3.1Å; L366-V369 PolarHBondContact O-N 3.09Å; G367-V369 VanDerWaalsContact C-N 3.32Å; G367-V369 PolarHBondContact O-N 2.85Å; V369-G371 VanDerWaalsContact C-N 3.34Å; V369-G371 PolarHBondContact O-N 3.33Å; V369-G372 PolarHBondContact O-N 3.01Å; V369-A373 WeakPolarHBondContact O-CB 3.48Å; V369-A373 PolarHBondContact O-N 3.42Å |
| 370 | L | 91.4 | Very high | 89 | Confident | 76 Ų | 76 | 65.5 Ų | 65.5 | 40% | 0.398 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.7 | -36 | 179 | -72.3 | -179.5 | 0 | 0 | 0 | 112.3 | L366 G367 G372 A373 L374 F508 F512 | L366-L370 HydrophobicContact CD1-CD1 4.13Å; L366-L370 HydrophobicContact CD1-CG 4.23Å; L366-L370 HydrophobicContact CG-CD1 4.05Å; L366-L370 HydrophobicContact CG-CG 4.48Å; L366-L370 WeakPolarHBondContact O-CB 3.45Å; L366-L370 WeakPolarHBondContact O-CG 3.45Å; L366-L370 PolarHBondContact O-N 2.81Å; G367-L370 PolarHBondContact O-N 3.23Å; L370-G372 VanDerWaalsContact C-N 3.33Å; L370-G372 PolarHBondContact O-N 2.97Å; L370-A373 PolarHBondContact O-N 3.32Å; L370-L374 WeakPolarHBondContact O-CB 3.48Å; L370-L374 PolarHBondContact O-N 2.76Å; L370-F508 HydrophobicContact CD1-CE2 3.8Å; L370-F508 HydrophobicContact CD1-CZ 3.73Å; L370-F512 HydrophobicContact CB-CD2 4.31Å |
| 371 | G | 90.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61 | -41.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | G367 V368 V369 M375 F512 | G367-G371 PolarHBondContact O-N 2.67Å; V368-G371 PolarHBondContact O-N 3.19Å; V369-G371 VanDerWaalsContact C-N 3.34Å; V369-G371 PolarHBondContact O-N 3.33Å; G371-M375 VanDerWaalsContact O-CG 3.31Å; G371-M375 WeakPolarHBondContact O-CG 3.29Å; G371-M375 PolarHBondContact O-N 3.13Å; G371-M375 VanDerWaalsContact O-N 3.16Å; G371-F512 VanDerWaalsContact CA-CD2 3.47Å; G371-F512 VanDerWaalsContact CA-CE2 3.48Å |
| 372 | G | 85.4 | Confident | 89 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.1 | -44.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V368 V369 L370 L374 M375 R376 | V368-G372 PolarHBondContact O-N 2.85Å; V369-G372 PolarHBondContact O-N 3.01Å; L370-G372 VanDerWaalsContact C-N 3.33Å; L370-G372 PolarHBondContact O-N 2.97Å; G372-L374 VanDerWaalsContact C-N 3.31Å; G372-L374 PolarHBondContact O-N 3.05Å; G372-M375 PolarHBondContact O-N 3.44Å; G372-R376 PolarHBondContact O-N 3.41Å |
| 373 | A | 85.3 | Confident | 89.1 | Confident | 51 Ų | 51 | 71.1 Ų | 71.1 | 42% | 0.421 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V369 L370 R376 R377 | V369-A373 WeakPolarHBondContact O-CB 3.48Å; V369-A373 PolarHBondContact O-N 3.42Å; L370-A373 PolarHBondContact O-N 3.32Å; A373-R376 PolarHBondContact O-N 3.14Å; A373-R377 WeakPolarHBondContact O-CB 3.35Å; A373-R377 PolarHBondContact O-N 3.03Å |
| 374 | L | 91.3 | Very high | 89 | Confident | 50 Ų | 50 | 69.4 Ų | 69.4 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.3 | -46.2 | 177.3 | -166.2 | 74.7 | 0 | 0 | 0 | 111.9 | L370 G372 R376 R377 F378 L388 F512 | L370-L374 WeakPolarHBondContact O-CB 3.48Å; L370-L374 PolarHBondContact O-N 2.76Å; G372-L374 VanDerWaalsContact C-N 3.31Å; G372-L374 PolarHBondContact O-N 3.05Å; L374-R376 VanDerWaalsContact C-N 3.27Å; L374-R376 PolarHBondContact O-N 3.31Å; L374-R377 PolarHBondContact O-N 3.16Å; L374-F378 HydrophobicContact CD1-CD2 3.53Å; L374-F378 HydrophobicContact CD1-CE2 3.36Å; L374-F378 HydrophobicContact CG-CD2 3.94Å; L374-F378 HydrophobicContact CG-CE2 4.27Å; L374-F378 PolarHBondContact O-N 3.32Å; L374-F378 VanDerWaalsContact O-N 3.14Å; L374-L388 HydrophobicContact CD2-CD1 3.87Å; L374-L388 HydrophobicContact CD2-CD2 3.79Å; L374-L388 HydrophobicContact CD2-CG 4.5Å; L374-F512 HydrophobicContact CB-CE2 4.49Å; L374-F512 HydrophobicContact CD2-CE2 4.19Å; L374-F512 HydrophobicContact CD2-CZ 3.57Å |
| 375 | M | 85.7 | Confident | 89.1 | Confident | 8 Ų | 8 | 68.6 Ų | 68.6 | 4% | 0.039 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.6 | -40.2 | 176.4 | -79.6 | -69.7 | -64.3 | 0 | 0 | 112.4 | G371 G372 N379 M380 A385 P516 M519 | G371-M375 VanDerWaalsContact O-CG 3.31Å; G371-M375 WeakPolarHBondContact O-CG 3.29Å; G371-M375 PolarHBondContact O-N 3.13Å; G371-M375 VanDerWaalsContact O-N 3.16Å; G372-M375 PolarHBondContact O-N 3.44Å; M375-N379 PolarHBondContact O-N 2.84Å; M375-M380 HydrophobicContact CE-CB 4.28Å; M375-M380 PolarHBondContact O-N 3.31Å; M375-M380 HydrophobicContact SD-CB 3.79Å; M375-M380 HydrophobicContact SD-CG 4.23Å; M375-M380 HydrophobicContact SD-SD 3.81Å; M375-A385 HydrophobicContact CE-CB 3.92Å; M375-A385 HydrophobicContact SD-CB 3.84Å; M375-P516 HydrophobicContact CG-CB 3.91Å; M375-P516 HydrophobicContact CG-CG 3.74Å; M375-P516 HydrophobicContact SD-CB 3.83Å; M375-P516 HydrophobicContact SD-CG 4.25Å; M375-M519 HydrophobicContact CE-CB 3.91Å; M375-M519 HydrophobicContact CE-CG 4.42Å |
| 376 | R | 83.8 | Confident | 89.4 | Confident | 206 Ų | 206 | 66.2 Ų | 66.2 | 78% | 0.777 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -70 | -50.8 | 176.7 | -178.6 | 178.6 | 176.7 | 177.6 | -0.7 | 111.8 | G372 A373 L374 F378 N379 | G372-R376 PolarHBondContact O-N 3.41Å; A373-R376 PolarHBondContact O-N 3.14Å; L374-R376 VanDerWaalsContact C-N 3.27Å; L374-R376 PolarHBondContact O-N 3.31Å; R376-F378 VanDerWaalsContact C-N 3.29Å; R376-F378 PolarHBondContact O-N 2.87Å; R376-N379 PolarHBondContact O-N 3.06Å; R376-N379 PolarHBondContact O-OD1 3.48Å |
| 377 | R | 87.1 | Confident | 89.6 | Confident | 208 Ų | 208 | 68.2 Ų | 68.2 | 79% | 0.785 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.2 | -38.8 | -174.5 | -174.3 | 176 | -178.4 | 177.1 | 0.6 | 112.5 | A373 L374 | A373-R377 WeakPolarHBondContact O-CB 3.35Å; A373-R377 PolarHBondContact O-N 3.03Å; L374-R377 PolarHBondContact O-N 3.16Å |
| 378 | F | 89.3 | Confident | 89.7 | Confident | 131 Ų | 131 | 69.8 Ų | 69.8 | 58% | 0.575 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 2.7 | -177.5 | -70.6 | -71.7 | 0 | 0 | 0 | 114.1 | L374 R376 M380 | L374-F378 HydrophobicContact CD1-CD2 3.53Å; L374-F378 HydrophobicContact CD1-CE2 3.36Å; L374-F378 HydrophobicContact CG-CD2 3.94Å; L374-F378 HydrophobicContact CG-CE2 4.27Å; L374-F378 PolarHBondContact O-N 3.32Å; L374-F378 VanDerWaalsContact O-N 3.14Å; R376-F378 VanDerWaalsContact C-N 3.29Å; R376-F378 PolarHBondContact O-N 2.87Å; F378-M380 HydrophobicContact CB-CG 3.63Å; F378-M380 HydrophobicContact CB-SD 4.42Å; F378-M380 PolarHBondContact O-N 3.4Å; F378-M380 VanDerWaalsContact O-N 3.09Å |
| 379 | N | 87.9 | Confident | 90 | Very high | 138 Ų | 138 | 67.7 Ų | 67.7 | 74% | 0.738 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 42.1 | 47.3 | -174.9 | -82 | -32.8 | 0 | 0 | 0 | 112.4 | M375 R376 S381 | M375-N379 PolarHBondContact O-N 2.84Å; R376-N379 PolarHBondContact O-N 3.06Å; R376-N379 PolarHBondContact O-OD1 3.48Å; N379-S381 PolarHBondContact O-N 3.44Å |
| 380 | M | 85.8 | Confident | 90.4 | Very high | 31 Ų | 31 | 64.1 Ų | 64.1 | 15% | 0.153 | 31% | 0.312 | C | S | . | . | trans | -63.5 | 131.8 | -166.1 | -62.4 | -178.6 | 70.9 | 0 | 0 | 111.1 | M375 F378 G384 L388 R523 | M375-M380 HydrophobicContact CE-CB 4.28Å; M375-M380 PolarHBondContact O-N 3.31Å; M375-M380 HydrophobicContact SD-CB 3.79Å; M375-M380 HydrophobicContact SD-CG 4.23Å; M375-M380 HydrophobicContact SD-SD 3.81Å; F378-M380 HydrophobicContact CB-CG 3.63Å; F378-M380 HydrophobicContact CB-SD 4.42Å; F378-M380 PolarHBondContact O-N 3.4Å; F378-M380 VanDerWaalsContact O-N 3.09Å; M380-G384 WeakPolarHBondContact CE-O 3.13Å; M380-L388 HydrophobicContact CE-CB 3.77Å; M380-L388 HydrophobicContact CE-CD2 3.9Å; M380-L388 HydrophobicContact CE-CG 4.35Å; M380-L388 HydrophobicContact SD-CD2 3.91Å; M380-R523 PolarHBondContact O-NH1 3.26Å | ||
| 381 | S | 91.5 | Very high | 90.7 | Very high | 74 Ų | 74 | 63.1 Ų | 63.1 | 52% | 0.517 | 32% | 0.315 | S | S | . | . | trans | -69.4 | 168 | 171.2 | 69.2 | 0 | 0 | 0 | 0 | 111.6 | N379 R383 G384 A385 | N379-S381 PolarHBondContact O-N 3.44Å; S381-R383 PolarHBondContact O-N 3.01Å; S381-G384 WeakPolarHBondContact O-CA 3.45Å; S381-G384 PolarHBondContact O-N 3.34Å; S381-G384 PolarHBondContact OG-N 3.32Å; S381-A385 PolarHBondContact O-N 2.92Å | ||
| 382 | V | 89.4 | Confident | 91 | Very high | 28 Ų | 28 | 63.5 Ų | 63.5 | 17% | 0.17 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.7 | -37.5 | 176 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | S386 M520 R523 T524 L608 | V382-S386 WeakPolarHBondContact O-CB 3.42Å; V382-S386 PolarHBondContact O-N 3.38Å; V382-M520 HydrophobicContact CG1-CE 4.35Å; V382-M520 HydrophobicContact CG1-CG 4.29Å; V382-R523 HydrophobicContact CG2-CB 3.53Å; V382-R523 HydrophobicContact CG2-CG 4.46Å; V382-T524 HydrophobicContact CG1-CG2 3.79Å; V382-T524 HydrophobicContact CG2-CG2 4.48Å; V382-L608 HydrophobicContact CG1-CD1 4.12Å; V382-L608 HydrophobicContact CG1-CD2 4.04Å |
| 383 | R | 91.6 | Very high | 91.5 | Very high | 128 Ų | 128 | 62.5 Ų | 62.5 | 48% | 0.483 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | 175.2 | -65.8 | -176 | -171.9 | 158.3 | 11.8 | 112 | S381 K387 L608 A612 | S381-R383 PolarHBondContact O-N 3.01Å; R383-K387 WeakPolarHBondContact O-CG 3.31Å; R383-K387 PolarHBondContact O-N 3.24Å; R383-K387 VanDerWaalsContact O-N 3.15Å; R383-L608 HydrophobicContact CG-CB 4.38Å; R383-A612 VanDerWaalsContact CZ-CB 3.42Å |
| 384 | G | 92.4 | Very high | 92.1 | Very high | 19 Ų | 19 | 64 Ų | 64 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.2 | -47.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | M380 S381 S386 K387 L388 | M380-G384 WeakPolarHBondContact CE-O 3.13Å; S381-G384 WeakPolarHBondContact O-CA 3.45Å; S381-G384 PolarHBondContact O-N 3.34Å; S381-G384 PolarHBondContact OG-N 3.32Å; G384-S386 VanDerWaalsContact C-N 3.34Å; G384-S386 PolarHBondContact O-N 3.35Å; G384-K387 PolarHBondContact O-N 3.42Å; G384-L388 PolarHBondContact O-N 3.44Å |
| 385 | A | 92.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.4 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M375 S381 K387 L388 C389 M520 | M375-A385 HydrophobicContact CE-CB 3.92Å; M375-A385 HydrophobicContact SD-CB 3.84Å; S381-A385 PolarHBondContact O-N 2.92Å; A385-K387 VanDerWaalsContact C-N 3.34Å; A385-K387 PolarHBondContact O-N 2.88Å; A385-L388 WeakPolarHBondContact O-CB 3.48Å; A385-L388 PolarHBondContact O-N 2.88Å; A385-C389 PolarHBondContact O-N 3.05Å; A385-C389 PolarHBondContact O-SG 3.42Å; A385-C389 VanDerWaalsContact O-SG 3.4Å; A385-M520 HydrophobicContact CB-CG 3.66Å; A385-M520 HydrophobicContact CB-SD 3.88Å |
| 386 | S | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 177.3 | -164.8 | 0 | 0 | 0 | 0 | 112.7 | V382 G384 T390 M605 | V382-S386 WeakPolarHBondContact O-CB 3.42Å; V382-S386 PolarHBondContact O-N 3.38Å; G384-S386 VanDerWaalsContact C-N 3.34Å; G384-S386 PolarHBondContact O-N 3.35Å; S386-T390 WeakPolarHBondContact O-CB 3.22Å; S386-T390 PolarHBondContact O-N 3.49Å; S386-T390 PolarHBondContact O-OG1 3.27Å; S386-M605 WeakPolarHBondContact OG-CG 3.21Å |
| 387 | K | 95.3 | Very high | 93.4 | Very high | 128 Ų | 128 | 56.9 Ų | 56.9 | 56% | 0.557 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -64.9 | -44.2 | 173.9 | -73 | 178 | -178.8 | -176.2 | 0 | 111.4 | R383 G384 A385 T390 A391 M605 | R383-K387 WeakPolarHBondContact O-CG 3.31Å; R383-K387 PolarHBondContact O-N 3.24Å; R383-K387 VanDerWaalsContact O-N 3.15Å; G384-K387 PolarHBondContact O-N 3.42Å; A385-K387 VanDerWaalsContact C-N 3.34Å; A385-K387 PolarHBondContact O-N 2.88Å; K387-T390 PolarHBondContact O-N 3.03Å; K387-A391 WeakPolarHBondContact O-CB 3.47Å; K387-A391 PolarHBondContact O-N 3.31Å; K387-M605 HydrophobicContact CD-CE 4.3Å; K387-M605 HydrophobicContact CG-CE 3.42Å; K387-M605 VanDerWaalsContact CG-CE 3.42Å; K387-M605 HydrophobicContact CG-SD 3.7Å |
| 388 | L | 95.6 | Very high | 93.8 | Very high | 33 Ų | 33 | 52.6 Ų | 52.6 | 17% | 0.173 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.5 | -49.6 | 177.9 | 179.7 | 68.6 | 0 | 0 | 0 | 111.4 | L374 M380 G384 A385 T390 A391 A392 F512 P516 | L374-L388 HydrophobicContact CD2-CD1 3.87Å; L374-L388 HydrophobicContact CD2-CD2 3.79Å; L374-L388 HydrophobicContact CD2-CG 4.5Å; M380-L388 HydrophobicContact CE-CB 3.77Å; M380-L388 HydrophobicContact CE-CD2 3.9Å; M380-L388 HydrophobicContact CE-CG 4.35Å; M380-L388 HydrophobicContact SD-CD2 3.91Å; G384-L388 PolarHBondContact O-N 3.44Å; A385-L388 WeakPolarHBondContact O-CB 3.48Å; A385-L388 PolarHBondContact O-N 2.88Å; L388-T390 VanDerWaalsContact C-N 3.32Å; L388-T390 PolarHBondContact O-N 3.25Å; L388-A391 PolarHBondContact O-N 3.43Å; L388-A392 WeakPolarHBondContact O-CB 3.47Å; L388-A392 PolarHBondContact O-N 2.99Å; L388-F512 HydrophobicContact CD1-CE1 3.9Å; L388-F512 HydrophobicContact CD1-CZ 4.09Å; L388-F512 HydrophobicContact CD2-CE1 4.03Å; L388-F512 HydrophobicContact CD2-CZ 4.08Å; L388-F512 HydrophobicContact CG-CE1 3.97Å; L388-F512 HydrophobicContact CG-CZ 4.37Å; L388-P516 HydrophobicContact CD2-CB 4.42Å; L388-P516 HydrophobicContact CD2-CG 4.04Å |
| 389 | C | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 176.9 | -67.3 | 0 | 0 | 0 | 0 | 111.3 | A385 A391 A392 I393 S517 F601 | A385-C389 PolarHBondContact O-N 3.05Å; A385-C389 PolarHBondContact O-SG 3.42Å; A385-C389 VanDerWaalsContact O-SG 3.4Å; C389-A391 PolarHBondContact O-N 3.5Å; C389-A392 PolarHBondContact O-N 3.33Å; C389-I393 WeakPolarHBondContact O-CB 3.28Å; C389-I393 VanDerWaalsContact O-CG1 3.28Å; C389-I393 WeakPolarHBondContact O-CG1 3.36Å; C389-I393 PolarHBondContact O-N 3.27Å; C389-S517 PolarHBondContact SG-OG 3.09Å; C389-F601 HydrophobicContact CB-CD1 3.88Å; C389-F601 HydrophobicContact CB-CD2 4.2Å; C389-F601 HydrophobicContact CB-CE1 3.71Å; C389-F601 HydrophobicContact CB-CE2 4.04Å; C389-F601 HydrophobicContact CB-CG 4.14Å; C389-F601 HydrophobicContact CB-CZ 3.81Å |
| 390 | T | 96.8 | Very high | 94.4 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 9% | 0.092 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.6 | -47.5 | 177.6 | -52.9 | 0 | 0 | 0 | 0 | 111.4 | S386 K387 L388 I393 L394 L598 L602 | S386-T390 WeakPolarHBondContact O-CB 3.22Å; S386-T390 PolarHBondContact O-N 3.49Å; S386-T390 PolarHBondContact O-OG1 3.27Å; K387-T390 PolarHBondContact O-N 3.03Å; L388-T390 VanDerWaalsContact C-N 3.32Å; L388-T390 PolarHBondContact O-N 3.25Å; T390-I393 PolarHBondContact O-N 2.66Å; T390-L394 HydrophobicContact CG2-CD1 4.34Å; T390-L394 WeakPolarHBondContact O-CG 3.42Å; T390-L394 PolarHBondContact O-N 3.1Å; T390-L598 HydrophobicContact CG2-CD1 4Å; T390-L602 HydrophobicContact CG2-CD2 3.65Å; T390-L602 HydrophobicContact CG2-CG 4.25Å |
| 391 | A | 97.2 | Very high | 94.8 | Very high | 55 Ų | 55 | 42.8 Ų | 42.8 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.6 | -42.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K387 L388 C389 L394 L395 | K387-A391 WeakPolarHBondContact O-CB 3.47Å; K387-A391 PolarHBondContact O-N 3.31Å; L388-A391 PolarHBondContact O-N 3.43Å; C389-A391 PolarHBondContact O-N 3.5Å; A391-L394 PolarHBondContact O-N 3.31Å; A391-L395 PolarHBondContact O-N 3.02Å |
| 392 | A | 96.8 | Very high | 95 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 7% | 0.074 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.2 | -42.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | L388 C389 L394 L395 C396 I509 F512 T513 | L388-A392 WeakPolarHBondContact O-CB 3.47Å; L388-A392 PolarHBondContact O-N 2.99Å; C389-A392 PolarHBondContact O-N 3.33Å; A392-L394 VanDerWaalsContact C-N 3.35Å; A392-L394 PolarHBondContact O-N 2.7Å; A392-L395 WeakPolarHBondContact O-CB 3.45Å; A392-L395 PolarHBondContact O-N 3.15Å; A392-C396 WeakPolarHBondContact O-CB 3.46Å; A392-C396 PolarHBondContact O-N 3.47Å; A392-I509 HydrophobicContact CB-CG2 4.2Å; A392-I509 WeakPolarHBondContact O-CG2 3.49Å; A392-F512 HydrophobicContact CB-CD1 4.21Å; A392-F512 HydrophobicContact CB-CE1 4.42Å; A392-T513 HydrophobicContact CB-CG2 3.4Å; A392-T513 VanDerWaalsContact CB-CG2 3.4Å |
| 393 | I | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.6 | -34.7 | 176.2 | -65.7 | -59.4 | 0 | 0 | 0 | 111.9 | M326 C389 T390 C396 L397 T513 V594 L598 F601 | M326-I393 HydrophobicContact CE-CD1 3.45Å; M326-I393 VanDerWaalsContact CE-CD1 3.45Å; M326-I393 HydrophobicContact SD-CD1 3.66Å; C389-I393 WeakPolarHBondContact O-CB 3.28Å; C389-I393 VanDerWaalsContact O-CG1 3.28Å; C389-I393 WeakPolarHBondContact O-CG1 3.36Å; C389-I393 PolarHBondContact O-N 3.27Å; T390-I393 PolarHBondContact O-N 2.66Å; I393-C396 VanDerWaalsContact O-CB 3.28Å; I393-C396 WeakPolarHBondContact O-CB 3.49Å; I393-C396 PolarHBondContact O-N 3.32Å; I393-L397 PolarHBondContact O-N 3.14Å; I393-T513 HydrophobicContact CD1-CG2 4.09Å; I393-T513 HydrophobicContact CG1-CG2 4.32Å; I393-V594 HydrophobicContact CG2-CG1 3.79Å; I393-L598 HydrophobicContact CB-CD1 4.44Å; I393-L598 HydrophobicContact CG2-CB 3.68Å; I393-L598 HydrophobicContact CG2-CD1 4.09Å; I393-L598 HydrophobicContact CG2-CG 4.42Å; I393-F601 HydrophobicContact CG1-CD2 3.94Å; I393-F601 HydrophobicContact CG1-CE2 3.92Å |
| 394 | L | 96.6 | Very high | 95.4 | Very high | 83 Ų | 83 | 35.6 Ų | 35.6 | 44% | 0.435 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 170.3 | -74.5 | 167.6 | 0 | 0 | 0 | 111.5 | T390 A391 A392 C396 L397 I398 L598 | T390-L394 HydrophobicContact CG2-CD1 4.34Å; T390-L394 WeakPolarHBondContact O-CG 3.42Å; T390-L394 PolarHBondContact O-N 3.1Å; A391-L394 PolarHBondContact O-N 3.31Å; A392-L394 VanDerWaalsContact C-N 3.35Å; A392-L394 PolarHBondContact O-N 2.7Å; L394-C396 VanDerWaalsContact C-N 3.29Å; L394-C396 PolarHBondContact O-N 3.01Å; L394-L397 WeakPolarHBondContact O-CB 3.42Å; L394-L397 PolarHBondContact O-N 3.12Å; L394-I398 WeakPolarHBondContact O-CG1 3.46Å; L394-I398 PolarHBondContact O-N 3.49Å; L394-I398 VanDerWaalsContact O-N 3.15Å; L394-L598 HydrophobicContact CD2-CD1 3.97Å; L394-L598 HydrophobicContact CD2-CD2 3.69Å; L394-L598 HydrophobicContact CG-CD1 3.85Å; L394-L598 HydrophobicContact CG-CD2 4.46Å |
| 395 | L | 96.4 | Very high | 95.5 | Very high | 93 Ų | 93 | 42.4 Ų | 42.4 | 49% | 0.487 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.5 | -36.7 | 174.6 | -173.3 | 64.7 | 0 | 0 | 0 | 111.9 | A391 A392 L397 I398 S399 I509 | A391-L395 PolarHBondContact O-N 3.02Å; A392-L395 WeakPolarHBondContact O-CB 3.45Å; A392-L395 PolarHBondContact O-N 3.15Å; L395-L397 VanDerWaalsContact C-N 3.34Å; L395-L397 PolarHBondContact O-N 3.29Å; L395-I398 PolarHBondContact O-N 3.25Å; L395-S399 PolarHBondContact O-N 3.49Å; L395-I509 HydrophobicContact CB-CD1 4.45Å; L395-I509 HydrophobicContact CD2-CD1 3.86Å; L395-I509 HydrophobicContact CD2-CG1 4.3Å; L395-I509 HydrophobicContact CG-CD1 3.77Å |
| 396 | C | 96.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.4 | -45.3 | 173.9 | -175.7 | 0 | 0 | 0 | 0 | 111 | A392 I393 L394 I398 S399 A400 I509 I510 V594 | A392-C396 WeakPolarHBondContact O-CB 3.46Å; A392-C396 PolarHBondContact O-N 3.47Å; I393-C396 VanDerWaalsContact O-CB 3.28Å; I393-C396 WeakPolarHBondContact O-CB 3.49Å; I393-C396 PolarHBondContact O-N 3.32Å; L394-C396 VanDerWaalsContact C-N 3.29Å; L394-C396 PolarHBondContact O-N 3.01Å; C396-I398 VanDerWaalsContact C-N 3.35Å; C396-I398 PolarHBondContact O-N 3.23Å; C396-S399 PolarHBondContact O-N 3.09Å; C396-S399 PolarHBondContact O-OG 2.93Å; C396-A400 VanDerWaalsContact O-CB 3.23Å; C396-A400 WeakPolarHBondContact O-CB 3.45Å; C396-A400 PolarHBondContact O-N 3.27Å; C396-I509 HydrophobicContact CB-CG2 3.83Å; C396-I510 VanDerWaalsContact SG-CG1 3.58Å; C396-V594 HydrophobicContact CB-CG1 4.31Å |
| 397 | L | 95.8 | Very high | 95.4 | Very high | 22 Ų | 22 | 44.3 Ų | 44.3 | 12% | 0.115 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.4 | -43.1 | 175.5 | -72.8 | 172.7 | 0 | 0 | 0 | 112.1 | I393 L394 L395 S399 A400 L401 V591 V594 L598 | I393-L397 PolarHBondContact O-N 3.14Å; L394-L397 WeakPolarHBondContact O-CB 3.42Å; L394-L397 PolarHBondContact O-N 3.12Å; L395-L397 VanDerWaalsContact C-N 3.34Å; L395-L397 PolarHBondContact O-N 3.29Å; L397-S399 VanDerWaalsContact C-N 3.28Å; L397-S399 PolarHBondContact O-N 3.47Å; L397-A400 PolarHBondContact O-N 3.4Å; L397-L401 WeakPolarHBondContact O-CB 3.48Å; L397-L401 VanDerWaalsContact O-CG 3.29Å; L397-L401 WeakPolarHBondContact O-CG 3.32Å; L397-L401 PolarHBondContact O-N 3.37Å; L397-V591 HydrophobicContact CD2-CG1 4.09Å; L397-V594 HydrophobicContact CD2-CB 3.84Å; L397-V594 HydrophobicContact CD2-CG1 3.4Å; L397-V594 VanDerWaalsContact CD2-CG1 3.4Å; L397-V594 HydrophobicContact CG-CG1 3.58Å; L397-L598 HydrophobicContact CD1-CD2 3.64Å |
| 398 | I | 95.7 | Very high | 95.2 | Very high | 118 Ų | 118 | 38.3 Ų | 38.3 | 61% | 0.605 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -60.1 | -40.7 | 177.4 | -64.4 | 168.1 | 0 | 0 | 0 | 110.8 | L394 L395 C396 P402 | L394-I398 WeakPolarHBondContact O-CG1 3.46Å; L394-I398 PolarHBondContact O-N 3.49Å; L394-I398 VanDerWaalsContact O-N 3.15Å; L395-I398 PolarHBondContact O-N 3.25Å; C396-I398 VanDerWaalsContact C-N 3.35Å; C396-I398 PolarHBondContact O-N 3.23Å; I398-P402 WeakPolarHBondContact O-CD 3.43Å; I398-P402 WeakPolarHBondContact O-CG 3.43Å |
| 399 | S | 95 | Very high | 95 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 8% | 0.077 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.5 | -30.9 | 176.4 | 68.3 | 0 | 0 | 0 | 0 | 113.9 | L395 C396 L397 T506 | L395-S399 PolarHBondContact O-N 3.49Å; C396-S399 PolarHBondContact O-N 3.09Å; C396-S399 PolarHBondContact O-OG 2.93Å; L397-S399 VanDerWaalsContact C-N 3.28Å; L397-S399 PolarHBondContact O-N 3.47Å; S399-T506 WeakPolarHBondContact CB-OG1 3.35Å; S399-T506 PolarHBondContact OG-OG1 2.76Å |
| 400 | A | 94.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -84.3 | -36.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | C396 L397 M403 T506 M590 V591 | C396-A400 VanDerWaalsContact O-CB 3.23Å; C396-A400 WeakPolarHBondContact O-CB 3.45Å; C396-A400 PolarHBondContact O-N 3.27Å; L397-A400 PolarHBondContact O-N 3.4Å; A400-M403 HydrophobicContact CB-CE 4.01Å; A400-M403 WeakPolarHBondContact O-CB 3.2Å; A400-M403 PolarHBondContact O-N 2.89Å; A400-T506 HydrophobicContact CB-CG2 4.39Å; A400-M590 HydrophobicContact CB-CE 3.96Å; A400-V591 HydrophobicContact CB-CG2 4.48Å |
| 401 | L | 94.8 | Very high | 94.2 | Very high | 81 Ų | 81 | 42.9 Ų | 42.9 | 42% | 0.424 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -59.9 | -43.5 | -177.7 | -73.9 | 168.6 | 0 | 0 | 0 | 113.7 | L397 M403 I404 V591 | L397-L401 WeakPolarHBondContact O-CB 3.48Å; L397-L401 VanDerWaalsContact O-CG 3.29Å; L397-L401 WeakPolarHBondContact O-CG 3.32Å; L397-L401 PolarHBondContact O-N 3.37Å; L401-M403 PolarHBondContact O-N 3.48Å; L401-I404 HydrophobicContact CD2-CD1 4.38Å; L401-I404 WeakPolarHBondContact O-CB 3.43Å; L401-I404 PolarHBondContact O-N 2.88Å; L401-I404 VanDerWaalsContact O-N 3.15Å; L401-V591 HydrophobicContact CD2-CG1 4.12Å; L401-V591 HydrophobicContact CD2-CG2 4.14Å |
| 402 | P | 94.9 | Very high | 93.8 | Very high | 51 Ų | 51 | 46.4 Ų | 46.4 | 33% | 0.331 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -57.9 | -31.6 | 176.6 | -26.1 | 35.3 | 0 | 0 | 0 | 113.4 | I398 I404 F405 I406 L502 | I398-P402 WeakPolarHBondContact O-CD 3.43Å; I398-P402 WeakPolarHBondContact O-CG 3.43Å; P402-I404 PolarHBondContact O-N 3.19Å; P402-F405 PolarHBondContact O-N 2.99Å; P402-I406 WeakPolarHBondContact O-CG1 3.33Å; P402-I406 PolarHBondContact O-N 3.22Å; P402-L502 HydrophobicContact CB-CD1 4.11Å |
| 403 | M | 94.4 | Very high | 93.4 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -61.2 | -27.3 | -179.6 | -61.6 | -165 | -79 | 0 | 0 | 112.8 | A400 L401 F405 I406 F499 L502 M503 T506 L587 M590 | A400-M403 HydrophobicContact CB-CE 4.01Å; A400-M403 WeakPolarHBondContact O-CB 3.2Å; A400-M403 PolarHBondContact O-N 2.89Å; L401-M403 PolarHBondContact O-N 3.48Å; M403-F405 PolarHBondContact O-N 3.39Å; M403-I406 PolarHBondContact O-N 3.33Å; M403-F499 HydrophobicContact CB-CD2 4.32Å; M403-F499 HydrophobicContact CB-CE2 4.02Å; M403-F499 HydrophobicContact CG-CD2 4.45Å; M403-F499 HydrophobicContact CG-CE2 4.37Å; M403-F499 HydrophobicContact SD-CE2 4.19Å; M403-F499 HydrophobicContact SD-CZ 4.5Å; M403-L502 HydrophobicContact CG-CB 3.82Å; M403-L502 HydrophobicContact CG-CD1 4.17Å; M403-L502 HydrophobicContact SD-CB 4.08Å; M403-M503 HydrophobicContact SD-CB 4.14Å; M403-T506 HydrophobicContact CE-CG2 4.32Å; M403-L587 HydrophobicContact CB-CD1 3.93Å; M403-L587 WeakPolarHBondContact O-CD1 3.5Å; M403-M590 HydrophobicContact CE-CE 3.66Å; M403-M590 HydrophobicContact CE-SD 3.93Å |
| 404 | I | 95.4 | Very high | 92.9 | Very high | 28 Ų | 28 | 47 Ų | 47 | 14% | 0.144 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -62.7 | -27.7 | 176.2 | -64.6 | 175.2 | 0 | 0 | 0 | 111.7 | L401 P402 R583 K584 L587 V591 | L401-I404 HydrophobicContact CD2-CD1 4.38Å; L401-I404 WeakPolarHBondContact O-CB 3.43Å; L401-I404 PolarHBondContact O-N 2.88Å; L401-I404 VanDerWaalsContact O-N 3.15Å; P402-I404 PolarHBondContact O-N 3.19Å; I404-R583 VanDerWaalsContact O-CD 3.24Å; I404-R583 WeakPolarHBondContact O-CD 3.26Å; I404-R583 WeakPolarHBondContact O-CG 3.43Å; I404-R583 PolarHBondContact O-NE 3.25Å; I404-K584 HydrophobicContact CG2-CG 4.21Å; I404-L587 HydrophobicContact CG1-CB 3.85Å; I404-V591 HydrophobicContact CD1-CG2 3.95Å |
| 405 | F | 93.9 | Very high | 92.2 | Very high | 162 Ų | 162 | 47.4 Ų | 47.4 | 71% | 0.711 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -15.2 | -178.2 | -57.1 | -77.9 | 0 | 0 | 0 | 112.8 | P402 M403 | P402-F405 PolarHBondContact O-N 2.99Å; M403-F405 PolarHBondContact O-N 3.39Å |
| 406 | I | 93.7 | Very high | 91.6 | Very high | 30 Ų | 30 | 44.2 Ų | 44.2 | 15% | 0.154 | 23% | 0.233 | C | C | . | . | trans | -95.5 | 108.4 | -177.2 | -60.2 | 168.1 | 0 | 0 | 0 | 110.1 | P402 M403 L495 F499 L502 R583 | P402-I406 WeakPolarHBondContact O-CG1 3.33Å; P402-I406 PolarHBondContact O-N 3.22Å; M403-I406 PolarHBondContact O-N 3.33Å; I406-L495 HydrophobicContact CG2-CB 3.94Å; I406-L495 WeakPolarHBondContact CG2-O 3.45Å; I406-F499 HydrophobicContact CG2-CB 3.97Å; I406-F499 HydrophobicContact CG2-CD2 4.4Å; I406-L502 HydrophobicContact CD1-CD1 3.45Å; I406-L502 VanDerWaalsContact CD1-CD1 3.45Å; I406-R583 WeakPolarHBondContact O-CD 3.28Å | ||
| 407 | G | 91.2 | Very high | 91 | Very high | 10 Ų | 10 | 47.5 Ų | 47.5 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 169 | 170.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112 | R583 | G407-R583 VanDerWaalsContact C-NH1 3.33Å; G407-R583 PolarHBondContact O-NH1 3.33Å |
| 408 | C | 92 | Very high | 90.1 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.014 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 142.7 | 176.1 | -56.1 | 0 | 0 | 0 | 0 | 113 | Q344 C492 L579 R583 | Q344-C408 PolarHBondContact NE2-O 2.88Å; Q344-C408 WeakPolarHBondContact O-CB 3.37Å; Q344-C408 PolarHBondContact O-SG 3.02Å; C408-C492 VanDerWaalsContact CA-SG 3.52Å; C408-C492 HydrophobicContact CB-CB 4.01Å; C408-C492 WeakPolarHBondContact CB-SG 3.29Å; C408-C492 WeakPolarHBondContact SG-CB 3.27Å; C408-C492 CovalentContact SG-SG 1.99Å; C408-C492 PolarHBondContact SG-SG 3.28Å; C408-L579 HydrophobicContact CB-CD1 4.21Å; C408-R583 PolarHBondContact O-NH1 3.07Å |
| 409 | S | 90.9 | Very high | 88.8 | Confident | 86 Ų | 86 | 50.5 Ų | 50.5 | 60% | 0.601 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 155.4 | 168 | 56.2 | 0 | 0 | 0 | 0 | 110.2 | Q411 | S409-Q411 PolarHBondContact O-N 3.32Š|
| 410 | T | 90.6 | Very high | 87.1 | Confident | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 124.5 | 175.9 | -49.7 | 0 | 0 | 0 | 0 | 110.1 | Y417 I562 N578 L579 D580 | T410-Y417 VanDerWaalsContact CB-CE1 3.44Å; T410-Y417 HydrophobicContact CG2-CD1 3.39Å; T410-Y417 HydrophobicContact CG2-CD2 4.39Å; T410-Y417 HydrophobicContact CG2-CE1 3.37Å; T410-Y417 HydrophobicContact CG2-CE2 4.37Å; T410-Y417 HydrophobicContact CG2-CG 3.92Å; T410-I562 HydrophobicContact CG2-CD1 4.35Å; T410-N578 PolarHBondContact OG1-OD1 3.2Å; T410-L579 PolarHBondContact OG1-N 2.91Å; T410-D580 PolarHBondContact N-OD2 2.9Å; T410-D580 PolarHBondContact OG1-N 3.29Å; T410-D580 VanDerWaalsContact OG1-N 3.16Å; T410-D580 PolarHBondContact OG1-OD2 3.28Å |
| 411 | Q | 86.3 | Confident | 85 | Confident | 46 Ų | 46 | 67.1 Ų | 67.1 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 147 | -179.6 | 67.6 | -165.7 | 8 | 0 | 0 | 111.3 | S409 V413 | S409-Q411 PolarHBondContact O-N 3.32Å; Q411-V413 HydrophobicContact CG-CG2 3.77Å; Q411-V413 PolarHBondContact O-N 2.83Å |
| 412 | K | 88.9 | Confident | 82.9 | Confident | 130 Ų | 130 | 66.9 Ų | 66.9 | 57% | 0.565 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 116 | 174.7 | -66.4 | -179.4 | -176.8 | 176.1 | 0 | 108.4 | Y417 E447 | K412-Y417 WeakPolarHBondContact CA-O 3.28Å; K412-E447 PolarHBondContact O-N 2.96Å; K412-E447 VanDerWaalsContact O-N 3.12Å |
| 413 | V | 88.8 | Confident | 80.9 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.018 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -117.5 | 118.6 | 176.1 | -176.5 | 0 | 0 | 0 | 0 | 106.6 | Q411 E415 V416 Y417 E447 Y576 | Q411-V413 HydrophobicContact CG-CG2 3.77Å; Q411-V413 PolarHBondContact O-N 2.83Å; V413-E415 PolarHBondContact O-N 2.87Å; V413-V416 HydrophobicContact CB-CB 3.97Å; V413-V416 HydrophobicContact CG1-CB 3.84Å; V413-V416 HydrophobicContact CG1-CG2 3.87Å; V413-V416 PolarHBondContact O-N 2.71Å; V413-Y417 PolarHBondContact N-O 2.88Å; V413-Y417 PolarHBondContact O-N 3.49Å; V413-Y417 VanDerWaalsContact O-O 3.13Å; V413-E447 CarbonylContact C-O 3.58Å; V413-E447 VanDerWaalsContact CA-O 3.31Å; V413-E447 WeakPolarHBondContact CA-O 3.37Å; V413-E447 HydrophobicContact CG2-CB 4.4Å; V413-Y576 HydrophobicContact CG1-CD2 4.22Å; V413-Y576 HydrophobicContact CG1-CE2 3.82Å; V413-Y576 HydrophobicContact CG2-CD1 4.24Å; V413-Y576 HydrophobicContact CG2-CD2 4.42Å; V413-Y576 HydrophobicContact CG2-CE1 4.16Å; V413-Y576 HydrophobicContact CG2-CE2 4.34Å; V413-Y576 HydrophobicContact CG2-CG 4.37Å |
| 414 | A | 85.6 | Confident | 79 | Confident | 18 Ų | 18 | 70.7 Ų | 70.7 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 135.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110 | V416 E447 Y448 | A414-V416 PolarHBondContact O-N 3.34Å; A414-E447 PolarHBondContact N-O 3.48Å; A414-Y448 HydrophobicContact CB-CD1 3.51Å; A414-Y448 HydrophobicContact CB-CE1 3.48Å; A414-Y448 VanDerWaalsContact CB-CE1 3.48Å; A414-Y448 HydrophobicContact CB-CG 4.18Å |
| 415 | E | 81.3 | Confident | 77.5 | Confident | 91 Ų | 91 | 78.2 Ų | 78.2 | 43% | 0.425 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.5 | -4.6 | -178.3 | -56.8 | 174.9 | 176.8 | 0 | 0 | 116.5 | V413 P424 S427 | V413-E415 PolarHBondContact O-N 2.87Å; E415-P424 HydrophobicContact CG-CG 3.83Å; E415-P424 VanDerWaalsContact OE1-CD 3.26Å; E415-P424 WeakPolarHBondContact OE1-CD 3.34Å; E415-P424 VanDerWaalsContact OE1-CG 3.27Å; E415-P424 WeakPolarHBondContact OE1-CG 3.44Å; E415-S427 PolarHBondContact OE1-OG 3.12Å |
| 416 | V | 83.9 | Confident | 76.8 | Confident | 27 Ų | 27 | 71.5 Ų | 71.5 | 16% | 0.164 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -45.8 | -176.2 | -180 | 0 | 0 | 0 | 0 | 111.7 | V413 A414 I562 L563 | V413-V416 HydrophobicContact CB-CB 3.97Å; V413-V416 HydrophobicContact CG1-CB 3.84Å; V413-V416 HydrophobicContact CG1-CG2 3.87Å; V413-V416 PolarHBondContact O-N 2.71Å; A414-V416 PolarHBondContact O-N 3.34Å; V416-I562 HydrophobicContact CG1-CB 4.31Å; V416-I562 HydrophobicContact CG1-CD1 4.04Å; V416-I562 HydrophobicContact CG1-CG1 4.12Å; V416-L563 HydrophobicContact CG1-CB 3.92Å; V416-L563 HydrophobicContact CG2-CD1 4.4Å; V416-L563 HydrophobicContact CG2-CD2 4.25Å |
| 417 | Y | 84.4 | Confident | 76.2 | Confident | 68 Ų | 68 | 70.9 Ų | 70.9 | 27% | 0.267 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -158.2 | 132.8 | -176.5 | -169.8 | -92.4 | 0 | 0 | 0 | 113.9 | T410 K412 V413 I562 N578 | T410-Y417 VanDerWaalsContact CB-CE1 3.44Å; T410-Y417 HydrophobicContact CG2-CD1 3.39Å; T410-Y417 HydrophobicContact CG2-CD2 4.39Å; T410-Y417 HydrophobicContact CG2-CE1 3.37Å; T410-Y417 HydrophobicContact CG2-CE2 4.37Å; T410-Y417 HydrophobicContact CG2-CG 3.92Å; K412-Y417 WeakPolarHBondContact CA-O 3.28Å; V413-Y417 PolarHBondContact N-O 2.88Å; V413-Y417 PolarHBondContact O-N 3.49Å; V413-Y417 VanDerWaalsContact O-O 3.13Å; Y417-I562 HydrophobicContact CD2-CD1 4.48Å; Y417-I562 HydrophobicContact CG-CD1 4.24Å; Y417-N578 WeakPolarHBondContact CE2-ND2 3.42Å; Y417-N578 PolarHBondContact OH-ND2 3.15Å |
| 418 | P | 76.9 | Confident | 75.6 | Confident | 66 Ų | 66 | 74.4 Ų | 74.4 | 43% | 0.429 | 40% | 0.404 | S | S | . | . | S | Bend | cis | -67.3 | 146.3 | -7 | 28.6 | -33.9 | 0 | 0 | 0 | 110.8 | R420 | P418-R420 PolarHBondContact O-N 3.06Š|
| 419 | D | 68.3 | Low | 75 | Confident | 137 Ų | 137 | 76.4 Ų | 76.4 | 73% | 0.733 | 43% | 0.425 | S | S | * | . | trans | -65.7 | 83.6 | 178.3 | -165.6 | 3.2 | 0 | 0 | 0 | 109.6 | ||||
| 420 | R | 59.1 | Low | 74.5 | Confident | 190 Ų | 190 | 72.5 Ų | 72.5 | 72% | 0.717 | 40% | 0.398 | S | S | * | . | trans | -87.7 | 124.6 | 167.1 | -72.8 | -178.7 | 171.8 | -167.8 | -3.2 | 104.5 | P418 S422 | P418-R420 PolarHBondContact O-N 3.06Å; R420-S422 WeakPolarHBondContact CB-OG 3.32Å; R420-S422 PolarHBondContact O-N 2.92Å | ||
| 421 | N | 50.6 | Low | 74 | Confident | 171 Ų | 171 | 73.8 Ų | 73.8 | 91% | 0.914 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -54.9 | 22.3 | 171.1 | -87.5 | -9.8 | 0 | 0 | 0 | 115.1 | ||
| 422 | S | 50.7 | Low | 73.7 | Confident | 76 Ų | 76 | 73 Ų | 73 | 53% | 0.531 | 41% | 0.412 | S | S | . | . | trans | -112.1 | 88.4 | 176.9 | 56.6 | 0 | 0 | 0 | 0 | 108.5 | R420 P424 | R420-S422 WeakPolarHBondContact CB-OG 3.32Å; R420-S422 PolarHBondContact O-N 2.92Å; S422-P424 VanDerWaalsContact O-CD 3.28Å; S422-P424 WeakPolarHBondContact O-CD 3.45Å | ||
| 423 | S | 51 | Low | 73.2 | Confident | 98 Ų | 98 | 68.7 Ų | 68.7 | 69% | 0.685 | 40% | 0.398 | S | S | * | . | trans | -54.4 | 117.7 | 153.7 | -45.2 | 0 | 0 | 0 | 0 | 106.8 | K425 | S423-K425 VanDerWaalsContact C-N 3.34Å; S423-K425 PolarHBondContact O-N 3.03Å | ||
| 424 | P | 55.3 | Low | 72.5 | Confident | 35 Ų | 35 | 72.5 Ų | 72.5 | 23% | 0.227 | 42% | 0.422 | C | S | . | . | trans | -70 | 104.7 | 166.6 | 33.5 | -30.3 | 0 | 0 | 0 | 105.1 | E415 S422 C426 | E415-P424 HydrophobicContact CG-CG 3.83Å; E415-P424 VanDerWaalsContact OE1-CD 3.26Å; E415-P424 WeakPolarHBondContact OE1-CD 3.34Å; E415-P424 VanDerWaalsContact OE1-CG 3.27Å; E415-P424 WeakPolarHBondContact OE1-CG 3.44Å; S422-P424 VanDerWaalsContact O-CD 3.28Å; S422-P424 WeakPolarHBondContact O-CD 3.45Å; P424-C426 VanDerWaalsContact CB-SG 3.54Å; P424-C426 PolarHBondContact O-N 3.12Å; P424-C426 PolarHBondContact O-SG 3.15Å | ||
| 425 | K | 63.2 | Low | 72 | Confident | 185 Ų | 185 | 74.2 Ų | 74.2 | 80% | 0.804 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -0.9 | 176.2 | -60.8 | 175.2 | -179.8 | 177.1 | 0 | 113.6 | S423 A428 | S423-K425 VanDerWaalsContact C-N 3.34Å; S423-K425 PolarHBondContact O-N 3.03Å; K425-A428 WeakPolarHBondContact O-CB 3.17Å; K425-A428 PolarHBondContact O-N 3.1Å |
| 426 | C | 80.9 | Confident | 71.9 | Confident | 22 Ų | 22 | 70.2 Ų | 70.2 | 15% | 0.149 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -35.5 | -178.1 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | P424 R474 C475 Y477 | P424-C426 VanDerWaalsContact CB-SG 3.54Å; P424-C426 PolarHBondContact O-N 3.12Å; P424-C426 PolarHBondContact O-SG 3.15Å; C426-R474 HydrophobicContact CB-CB 4.42Å; C426-C475 HydrophobicContact CB-CB 4.14Å; C426-C475 WeakPolarHBondContact CB-SG 3.32Å; C426-C475 WeakPolarHBondContact SG-CA 3.42Å; C426-C475 WeakPolarHBondContact SG-CB 3.44Å; C426-C475 CovalentContact SG-SG 2.03Å; C426-C475 PolarHBondContact SG-SG 2.65Å; C426-Y477 WeakPolarHBondContact CB-OH 3.19Å |
| 427 | S | 81.4 | Confident | 72.1 | Confident | 17 Ų | 17 | 69.7 Ų | 69.7 | 12% | 0.119 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -91.1 | -9.7 | -179.3 | 62.3 | 0 | 0 | 0 | 0 | 112.9 | E415 G429 C430 H453 | E415-S427 PolarHBondContact OE1-OG 3.12Å; S427-G429 PolarHBondContact O-N 2.88Å; S427-G429 VanDerWaalsContact O-N 3.11Å; S427-C430 WeakPolarHBondContact O-CB 3.37Å; S427-C430 PolarHBondContact O-N 2.83Å; S427-C430 PolarHBondContact O-SG 3.18Å; S427-H453 WeakPolarHBondContact CB-O 3.3Å |
| 428 | A | 78.1 | Confident | 72.3 | Confident | 83 Ų | 83 | 66.9 Ų | 66.9 | 69% | 0.686 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -60 | -27.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K425 C430 | K425-A428 WeakPolarHBondContact O-CB 3.17Å; K425-A428 PolarHBondContact O-N 3.1Å; A428-C430 VanDerWaalsContact C-N 3.33Å |
| 429 | G | 79.4 | Confident | 73 | Confident | 44 Ų | 44 | 63.8 Ų | 63.8 | 45% | 0.454 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -85.8 | 4.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S427 | S427-G429 PolarHBondContact O-N 2.88Å; S427-G429 VanDerWaalsContact O-N 3.11Å |
| 430 | C | 80.7 | Confident | 74.1 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 3% | 0.034 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -98.5 | -9.1 | -172.2 | -58.8 | 0 | 0 | 0 | 0 | 114.6 | C133 F134 S427 A428 C432 | C133-C430 HydrophobicContact CB-CB 3.68Å; C133-C430 WeakPolarHBondContact CB-SG 3.29Å; C133-C430 WeakPolarHBondContact SG-CB 3.36Å; C133-C430 CovalentContact SG-SG 2.02Å; C133-C430 PolarHBondContact SG-SG 3.33Å; F134-C430 CarbonylContact O-C 3.54Å; F134-C430 VanDerWaalsContact O-C 3.26Å; F134-C430 VanDerWaalsContact O-CA 3.28Å; F134-C430 WeakPolarHBondContact O-CA 3.32Å; F134-C430 VanDerWaalsContact O-O 3.13Å; S427-C430 WeakPolarHBondContact O-CB 3.37Å; S427-C430 PolarHBondContact O-N 2.83Å; S427-C430 PolarHBondContact O-SG 3.18Å; A428-C430 VanDerWaalsContact C-N 3.33Å; C430-C432 WeakPolarHBondContact CB-SG 3.05Å; C430-C432 PolarHBondContact O-N 3.27Å |
| 431 | G | 79.4 | Confident | 75.6 | Confident | 37 Ų | 37 | 49.3 Ų | 49.3 | 38% | 0.381 | 32% | 0.315 | S | S | . | . | trans | 56 | 32.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 432 | C | 80.3 | Confident | 77.6 | Confident | 29 Ų | 29 | 41.3 Ų | 41.3 | 20% | 0.196 | 27% | 0.273 | C | S | . | . | trans | -65.2 | 132.1 | -171.8 | -57 | 0 | 0 | 0 | 0 | 112.2 | C430 C452 | C430-C432 WeakPolarHBondContact CB-SG 3.05Å; C430-C432 PolarHBondContact O-N 3.27Å; C432-C452 WeakPolarHBondContact CA-SG 2.96Å; C432-C452 HydrophobicContact CB-CB 3.95Å; C432-C452 WeakPolarHBondContact CB-SG 3.4Å; C432-C452 WeakPolarHBondContact SG-CB 3.37Å; C432-C452 PolarHBondContact SG-O 2.99Å; C432-C452 CovalentContact SG-SG 2.04Å; C432-C452 PolarHBondContact SG-SG 3.28Å | ||
| 433 | P | 77.3 | Confident | 79.6 | Confident | 41 Ų | 41 | 40.1 Ų | 40.1 | 27% | 0.266 | 26% | 0.264 | S | S | . | . | trans | -60.1 | 137.5 | 175.9 | -22.9 | 32.3 | 0 | 0 | 0 | 111.8 | D435 A436 | P433-D435 WeakPolarHBondContact CB-OD1 3.47Å; P433-D435 PolarHBondContact O-N 3.42Å; P433-A436 HydrophobicContact CB-CB 4.18Å; P433-A436 VanDerWaalsContact O-CB 3.24Å; P433-A436 WeakPolarHBondContact O-CB 3.31Å; P433-A436 PolarHBondContact O-N 2.95Å; P433-A436 VanDerWaalsContact O-N 3.1Å | ||
| 434 | P | 74.6 | Confident | 81.3 | Confident | 83 Ų | 83 | 38.2 Ų | 38.2 | 54% | 0.539 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -17.3 | -177.5 | 29 | -35.7 | 0 | 0 | 0 | 113.2 | R449 | P434-R449 PolarHBondContact O-NH1 3.21Å; P434-R449 PolarHBondContact O-NH2 3Å |
| 435 | D | 74.3 | Confident | 82.9 | Confident | 54 Ų | 54 | 38.9 Ų | 38.9 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -9.7 | 175.1 | 62.6 | -31.5 | 0 | 0 | 0 | 113.1 | P433 F437 E566 | P433-D435 WeakPolarHBondContact CB-OD1 3.47Å; P433-D435 PolarHBondContact O-N 3.42Å; D435-F437 PolarHBondContact O-N 3.46Å; D435-E566 WeakPolarHBondContact CB-O 3.47Å |
| 436 | A | 80.8 | Confident | 84.1 | Confident | 6 Ų | 6 | 33.4 Ų | 33.4 | 5% | 0.05 | 24% | 0.237 | C | C | . | . | trans | -59.7 | 122.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T119 P433 R449 | T119-A436 HydrophobicContact CG2-CB 3.8Å; P433-A436 HydrophobicContact CB-CB 4.18Å; P433-A436 VanDerWaalsContact O-CB 3.24Å; P433-A436 WeakPolarHBondContact O-CB 3.31Å; P433-A436 PolarHBondContact O-N 2.95Å; P433-A436 VanDerWaalsContact O-N 3.1Å; A436-R449 WeakPolarHBondContact O-CD 3.49Å; A436-R449 PolarHBondContact O-NE 3.31Å | ||
| 437 | F | 87.3 | Confident | 84.6 | Confident | 17 Ų | 17 | 32.4 Ų | 32.4 | 8% | 0.075 | 23% | 0.23 | C | C | . | . | trans | -140.6 | 109.1 | 179.6 | -170.2 | -105.6 | 0 | 0 | 0 | 110.8 | T119 L236 R237 D435 P439 R449 L575 Y576 | T119-F437 VanDerWaalsContact CB-O 3.29Å; T119-F437 WeakPolarHBondContact CB-O 3.42Å; T119-F437 PolarHBondContact OG1-N 3.21Å; T119-F437 PolarHBondContact OG1-O 3.22Å; L236-F437 HydrophobicContact CB-CE1 3.99Å; L236-F437 HydrophobicContact CB-CZ 4.26Å; L236-F437 HydrophobicContact CD1-CZ 3.97Å; R237-F437 WeakPolarHBondContact CD-O 3.3Å; R237-F437 HydrophobicContact CG-CD1 4.02Å; R237-F437 HydrophobicContact CG-CE1 4.26Å; D435-F437 PolarHBondContact O-N 3.46Å; F437-P439 HydrophobicContact CE1-CG 4.42Å; F437-P439 HydrophobicContact CZ-CG 4.36Å; F437-R449 HydrophobicContact CD2-CG 3.83Å; F437-R449 HydrophobicContact CE2-CG 4.44Å; F437-L575 HydrophobicContact CB-CD1 4.43Å; F437-L575 HydrophobicContact CD1-CD2 3.99Å; F437-L575 HydrophobicContact CD2-CB 4.37Å; F437-L575 HydrophobicContact CD2-CD1 3.63Å; F437-L575 HydrophobicContact CD2-CD2 4.26Å; F437-L575 HydrophobicContact CD2-CG 4.3Å; F437-L575 HydrophobicContact CE1-CD2 3.97Å; F437-L575 HydrophobicContact CE2-CB 3.86Å; F437-L575 HydrophobicContact CE2-CD1 4Å; F437-L575 HydrophobicContact CE2-CD2 4.25Å; F437-L575 HydrophobicContact CE2-CG 4.25Å; F437-L575 HydrophobicContact CG-CD1 4.01Å; F437-L575 HydrophobicContact CG-CD2 4.13Å; F437-L575 HydrophobicContact CZ-CB 4.08Å; F437-L575 HydrophobicContact CZ-CD2 4.11Å; F437-Y576 HydrophobicContact CE2-CD2 4.49Å; F437-Y576 AromaticContact CE2-CE2 3.79Å; F437-Y576 HydrophobicContact CE2-CE2 3.79Å; F437-Y576 HydrophobicContact CZ-CE2 4.5Å | ||
| 438 | N | 88.8 | Confident | 85 | Confident | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.043 | 23% | 0.226 | C | C | . | . | trans | -154.2 | 78.6 | 175.9 | -176.8 | 4.8 | 0 | 0 | 0 | 107.9 | D120 R237 I440 R449 S450 P451 | D120-N438 PolarHBondContact OD1-ND2 3.34Å; D120-N438 PolarHBondContact OD2-ND2 3.33Å; R237-N438 PolarHBondContact NH1-ND2 3.49Å; R237-N438 PolarHBondContact NH1-OD1 3.02Å; R237-N438 PolarHBondContact NH2-OD1 3.32Å; R237-N438 VanDerWaalsContact NH2-OD1 3.15Å; N438-I440 PolarHBondContact O-N 3.46Å; N438-R449 CarbonylContact C-O 3.55Å; N438-R449 VanDerWaalsContact C-O 3.3Å; N438-R449 PolarHBondContact N-O 3.41Å; N438-S450 VanDerWaalsContact O-CA 3.25Å; N438-S450 WeakPolarHBondContact O-CA 3.49Å; N438-P451 WeakPolarHBondContact O-CD 3.41Å | ||
| 439 | P | 90.8 | Very high | 85.5 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | trans | -58.7 | 137.1 | -168.1 | 25.8 | -35.9 | 0 | 0 | 0 | 112 | L236 F437 Y448 G486 T487 | L236-P439 HydrophobicContact CB-CG 4.41Å; L236-P439 HydrophobicContact CD1-CG 4.16Å; L236-P439 HydrophobicContact CG-CG 4.5Å; F437-P439 HydrophobicContact CE1-CG 4.42Å; F437-P439 HydrophobicContact CZ-CG 4.36Å; P439-Y448 WeakPolarHBondContact CA-O 3.48Å; P439-G486 CarbonylContact C-O 3.48Å; P439-G486 CarbonylContact O-C 3.42Å; P439-G486 VanDerWaalsContact O-CA 3.26Å; P439-G486 WeakPolarHBondContact O-CA 3.32Å; P439-G486 PolarHBondContact O-N 3.26Å; P439-T487 HydrophobicContact CB-CG2 4.35Å; P439-T487 HydrophobicContact CG-CG2 4.42Å | ||
| 440 | I | 91.4 | Very high | 86 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 149.8 | 175.8 | 58.9 | 167.3 | 0 | 0 | 0 | 110.5 | N438 E447 Y448 P451 A454 F470 A483 Q484 G486 | N438-I440 PolarHBondContact O-N 3.46Å; I440-E447 WeakPolarHBondContact O-CA 3.49Å; I440-Y448 PolarHBondContact N-O 3.34Å; I440-Y448 VanDerWaalsContact N-O 3.08Å; I440-Y448 PolarHBondContact O-N 3.06Å; I440-P451 HydrophobicContact CD1-CB 4.37Å; I440-P451 HydrophobicContact CD1-CG 4.47Å; I440-P451 HydrophobicContact CG2-CG 3.94Å; I440-A454 HydrophobicContact CD1-CB 3.54Å; I440-F470 HydrophobicContact CG2-CD2 3.79Å; I440-F470 HydrophobicContact CG2-CE2 3.64Å; I440-F470 HydrophobicContact CG2-CZ 4.48Å; I440-A483 HydrophobicContact CB-CB 4.3Å; I440-A483 HydrophobicContact CD1-CB 3.67Å; I440-A483 HydrophobicContact CG1-CB 4.31Å; I440-Q484 CarbonylContact C-O 3.59Å; I440-Q484 WeakPolarHBondContact CA-O 3.46Å; I440-Q484 WeakPolarHBondContact CB-O 3.48Å; I440-G486 CarbonylContact C-O 3.54Å; I440-G486 WeakPolarHBondContact CA-O 3.34Å; I440-G486 PolarHBondContact N-O 3.26Å |
| 441 | C | 92.1 | Very high | 86.4 | Confident | 24 Ų | 24 | 27.5 Ų | 27.5 | 16% | 0.162 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 116.1 | 174.1 | -172.1 | 0 | 0 | 0 | 0 | 110.5 | A483 Q484 G486 C488 | C441-A483 CarbonylContact O-C 3.43Å; C441-A483 WeakPolarHBondContact O-CA 3.29Å; C441-A483 WeakPolarHBondContact O-CB 3.28Å; C441-Q484 PolarHBondContact N-O 3.02Å; C441-Q484 PolarHBondContact O-N 3.37Å; C441-G486 PolarHBondContact N-O 3.48Å; C441-C488 WeakPolarHBondContact CA-SG 3.44Å; C441-C488 HydrophobicContact CB-CB 3.9Å; C441-C488 WeakPolarHBondContact CB-SG 3.49Å; C441-C488 WeakPolarHBondContact SG-CA 3.21Å; C441-C488 WeakPolarHBondContact SG-CB 3.17Å; C441-C488 CovalentContact SG-SG 2.04Å; C441-C488 PolarHBondContact SG-SG 3.12Å |
| 442 | G | 92.4 | Very high | 86.8 | Confident | 3 Ų | 3 | 26.1 Ų | 26.1 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 151.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N444 G445 E446 | G442-N444 WeakPolarHBondContact CA-OD1 3.41Å; G442-N444 PolarHBondContact O-N 3.45Å; G442-N444 VanDerWaalsContact O-N 3.15Å; G442-G445 PolarHBondContact O-N 3.28Å; G442-E446 PolarHBondContact N-O 2.81Å |
| 443 | S | 91.7 | Very high | 87.1 | Confident | 51 Ų | 51 | 26 Ų | 26 | 36% | 0.357 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17.7 | 173.9 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | G445 I476 D478 S480 S482 | S443-G445 PolarHBondContact O-N 3.16Å; S443-I476 WeakPolarHBondContact OG-CG2 3.18Å; S443-D478 WeakPolarHBondContact CB-OD2 3.1Å; S443-D478 PolarHBondContact OG-OD1 3.04Å; S443-D478 PolarHBondContact OG-OD2 2.89Å; S443-S480 WeakPolarHBondContact CB-OG 3.22Å; S443-S480 PolarHBondContact OG-OG 3.11Å; S443-S482 WeakPolarHBondContact CB-O 3.34Å; S443-S482 PolarHBondContact N-O 3Å; S443-S482 PolarHBondContact OG-O 3.1Å |
| 444 | N | 88.2 | Confident | 87.7 | Confident | 57 Ų | 57 | 24 Ų | 24 | 31% | 0.305 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -2.8 | 168 | 65.4 | -21.7 | 0 | 0 | 0 | 114.5 | G442 E446 Y448 I476 D478 | G442-N444 WeakPolarHBondContact CA-OD1 3.41Å; G442-N444 PolarHBondContact O-N 3.45Å; G442-N444 VanDerWaalsContact O-N 3.15Å; N444-E446 VanDerWaalsContact C-N 3.31Å; N444-E446 PolarHBondContact ND2-OE2 3.42Å; N444-E446 PolarHBondContact OD1-N 2.9Å; N444-Y448 PolarHBondContact ND2-OH 2.76Å; N444-I476 HydrophobicContact CB-CG2 4.26Å; N444-D478 HydrophobicContact CB-CB 4.39Å |
| 445 | G | 87.8 | Confident | 88.4 | Confident | 50 Ų | 50 | 20 Ų | 20 | 52% | 0.515 | 12% | 0.12 | S | C | . | . | S | Bend | trans | 74.9 | 17 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | G442 S443 | G442-G445 PolarHBondContact O-N 3.28Å; S443-G445 PolarHBondContact O-N 3.16Å |
| 446 | E | 89 | Confident | 89.2 | Confident | 69 Ų | 69 | 17.5 Ų | 17.5 | 32% | 0.322 | 11% | 0.107 | S | C | . | . | trans | -104.2 | 140.2 | 172.4 | -61.3 | -168.9 | 152.2 | 0 | 0 | 110.8 | G442 N444 Y448 | G442-E446 PolarHBondContact N-O 2.81Å; N444-E446 VanDerWaalsContact C-N 3.31Å; N444-E446 PolarHBondContact ND2-OE2 3.42Å; N444-E446 PolarHBondContact OD1-N 2.9Å; E446-Y448 HydrophobicContact CB-CE2 4.19Å; E446-Y448 WeakPolarHBondContact O-CD2 3.23Å; E446-Y448 WeakPolarHBondContact O-CE2 3.35Å | ||
| 447 | E | 91.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 138.1 | 179 | -172 | 168.1 | 143 | 0 | 0 | 110.6 | K412 V413 A414 I440 T487 C488 Y576 | K412-E447 PolarHBondContact O-N 2.96Å; K412-E447 VanDerWaalsContact O-N 3.12Å; V413-E447 CarbonylContact C-O 3.58Å; V413-E447 VanDerWaalsContact CA-O 3.31Å; V413-E447 WeakPolarHBondContact CA-O 3.37Å; V413-E447 HydrophobicContact CG2-CB 4.4Å; A414-E447 PolarHBondContact N-O 3.48Å; I440-E447 WeakPolarHBondContact O-CA 3.49Å; E447-T487 WeakPolarHBondContact OE1-CG2 3.27Å; E447-T487 WeakPolarHBondContact OE2-CA 3.37Å; E447-T487 VanDerWaalsContact OE2-CB 3.26Å; E447-T487 WeakPolarHBondContact OE2-CB 3.16Å; E447-C488 PolarHBondContact OE2-N 3.22Å; E447-Y576 WeakPolarHBondContact OE1-CE1 3.35Å; E447-Y576 PolarHBondContact OE1-OH 2.81Å |
| 448 | Y | 90.1 | Very high | 89.4 | Confident | 9 Ų | 9 | 23.2 Ų | 23.2 | 4% | 0.035 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 144.1 | 177 | -61.1 | -102.6 | 0 | 0 | 0 | 109.9 | A414 P439 I440 N444 E446 S450 A454 C475 I476 | A414-Y448 HydrophobicContact CB-CD1 3.51Å; A414-Y448 HydrophobicContact CB-CE1 3.48Å; A414-Y448 VanDerWaalsContact CB-CE1 3.48Å; A414-Y448 HydrophobicContact CB-CG 4.18Å; P439-Y448 WeakPolarHBondContact CA-O 3.48Å; I440-Y448 PolarHBondContact N-O 3.34Å; I440-Y448 VanDerWaalsContact N-O 3.08Å; I440-Y448 PolarHBondContact O-N 3.06Å; N444-Y448 PolarHBondContact ND2-OH 2.76Å; E446-Y448 HydrophobicContact CB-CE2 4.19Å; E446-Y448 WeakPolarHBondContact O-CD2 3.23Å; E446-Y448 WeakPolarHBondContact O-CE2 3.35Å; Y448-S450 VanDerWaalsContact C-N 3.25Å; Y448-S450 PolarHBondContact O-N 3.28Å; Y448-A454 HydrophobicContact CD1-CB 3.78Å; Y448-A454 HydrophobicContact CD2-CB 4.23Å; Y448-A454 HydrophobicContact CE1-CB 4.38Å; Y448-A454 HydrophobicContact CG-CB 3.7Å; Y448-C475 HydrophobicContact CE1-CB 3.87Å; Y448-C475 PolarHBondContact OH-O 2.8Å; Y448-I476 HydrophobicContact CE2-CD1 4.29Å; Y448-I476 HydrophobicContact CE2-CG1 3.95Å |
| 449 | R | 88.4 | Confident | 89.3 | Confident | 30 Ų | 30 | 26.5 Ų | 26.5 | 11% | 0.113 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -60 | -33.3 | -176.7 | -171.6 | -175.5 | 172.7 | 176.4 | -2 | 113.7 | P434 A436 F437 N438 L563 | P434-R449 PolarHBondContact O-NH1 3.21Å; P434-R449 PolarHBondContact O-NH2 3Å; A436-R449 WeakPolarHBondContact O-CD 3.49Å; A436-R449 PolarHBondContact O-NE 3.31Å; F437-R449 HydrophobicContact CD2-CG 3.83Å; F437-R449 HydrophobicContact CE2-CG 4.44Å; N438-R449 CarbonylContact C-O 3.55Å; N438-R449 VanDerWaalsContact C-O 3.3Å; N438-R449 PolarHBondContact N-O 3.41Å; R449-L563 HydrophobicContact CG-CD2 4.28Å |
| 450 | S | 88.7 | Confident | 89.1 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | trans | -158.8 | 163.1 | 178.1 | 66.6 | 0 | 0 | 0 | 0 | 111.7 | N438 Y448 C452 H453 A454 | N438-S450 VanDerWaalsContact O-CA 3.25Å; N438-S450 WeakPolarHBondContact O-CA 3.49Å; Y448-S450 VanDerWaalsContact C-N 3.25Å; Y448-S450 PolarHBondContact O-N 3.28Å; S450-C452 VanDerWaalsContact C-N 3.26Å; S450-C452 PolarHBondContact O-N 3.16Å; S450-H453 PolarHBondContact O-N 2.97Å; S450-H453 VanDerWaalsContact O-N 3.15Å; S450-H453 PolarHBondContact OG-N 2.97Å; S450-H453 PolarHBondContact OG-ND1 3.2Å; S450-A454 PolarHBondContact O-N 3.1Å | ||
| 451 | P | 89.3 | Confident | 88.6 | Confident | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -38.3 | 171.2 | -23.6 | 33.4 | 0 | 0 | 0 | 113.4 | L132 N438 I440 A454 G455 C456 F470 | L132-P451 HydrophobicContact CD2-CB 4Å; N438-P451 WeakPolarHBondContact O-CD 3.41Å; I440-P451 HydrophobicContact CD1-CB 4.37Å; I440-P451 HydrophobicContact CD1-CG 4.47Å; I440-P451 HydrophobicContact CG2-CG 3.94Å; P451-A454 PolarHBondContact O-N 3.29Å; P451-G455 PolarHBondContact O-N 3.03Å; P451-C456 HydrophobicContact CB-CB 4.3Å; P451-C456 WeakPolarHBondContact O-CB 3.41Å; P451-C456 PolarHBondContact O-N 3.47Å; P451-F470 HydrophobicContact CB-CD1 3.79Å; P451-F470 HydrophobicContact CB-CE1 3.8Å; P451-F470 HydrophobicContact CB-CG 4.28Å; P451-F470 HydrophobicContact CB-CZ 4.32Å; P451-F470 HydrophobicContact CG-CD1 3.95Å; P451-F470 HydrophobicContact CG-CD2 4.4Å; P451-F470 HydrophobicContact CG-CE1 3.51Å; P451-F470 HydrophobicContact CG-CE2 4.02Å; P451-F470 HydrophobicContact CG-CG 4.36Å; P451-F470 HydrophobicContact CG-CZ 3.55Å |
| 452 | C | 87.8 | Confident | 87.9 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -46.9 | 175.1 | -171.9 | 0 | 0 | 0 | 0 | 112.1 | G131 C432 S450 A454 G455 | G131-C452 WeakPolarHBondContact O-CB 3.48Å; G131-C452 PolarHBondContact O-N 2.97Å; G131-C452 VanDerWaalsContact O-N 3.13Å; C432-C452 WeakPolarHBondContact CA-SG 2.96Å; C432-C452 HydrophobicContact CB-CB 3.95Å; C432-C452 WeakPolarHBondContact CB-SG 3.4Å; C432-C452 WeakPolarHBondContact SG-CB 3.37Å; C432-C452 PolarHBondContact SG-O 2.99Å; C432-C452 CovalentContact SG-SG 2.04Å; C432-C452 PolarHBondContact SG-SG 3.28Å; S450-C452 VanDerWaalsContact C-N 3.26Å; S450-C452 PolarHBondContact O-N 3.16Å; C452-A454 PolarHBondContact O-N 3.44Å; C452-G455 WeakPolarHBondContact O-CA 3.49Å; C452-G455 PolarHBondContact O-N 3.41Å |
| 453 | H | 87.7 | Confident | 87.1 | Confident | 26 Ų | 26 | 40.6 Ų | 40.6 | 12% | 0.12 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -24.3 | -179.9 | -72.4 | 73.4 | 0 | 0 | 0 | 112.3 | S427 S450 G455 | S427-H453 WeakPolarHBondContact CB-O 3.3Å; S450-H453 PolarHBondContact O-N 2.97Å; S450-H453 VanDerWaalsContact O-N 3.15Å; S450-H453 PolarHBondContact OG-N 2.97Å; S450-H453 PolarHBondContact OG-ND1 3.2Å; H453-G455 VanDerWaalsContact C-N 3.26Å |
| 454 | A | 89.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -4.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I440 Y448 S450 P451 C452 C456 C473 R474 C475 | I440-A454 HydrophobicContact CD1-CB 3.54Å; Y448-A454 HydrophobicContact CD1-CB 3.78Å; Y448-A454 HydrophobicContact CD2-CB 4.23Å; Y448-A454 HydrophobicContact CE1-CB 4.38Å; Y448-A454 HydrophobicContact CG-CB 3.7Å; S450-A454 PolarHBondContact O-N 3.1Å; P451-A454 PolarHBondContact O-N 3.29Å; C452-A454 PolarHBondContact O-N 3.44Å; A454-C456 VanDerWaalsContact C-N 3.34Å; A454-C473 CarbonylContact O-C 3.54Å; A454-C473 WeakPolarHBondContact O-CB 3.09Å; A454-R474 PolarHBondContact O-N 2.96Å; A454-C475 VanDerWaalsContact O-CB 3.26Å; A454-C475 WeakPolarHBondContact O-CB 3.07Å; A454-C475 PolarHBondContact O-N 2.83Å |
| 455 | G | 89.5 | Confident | 85 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 23.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | P451 C452 H453 C473 R474 | P451-G455 PolarHBondContact O-N 3.03Å; C452-G455 WeakPolarHBondContact O-CA 3.49Å; C452-G455 PolarHBondContact O-N 3.41Å; H453-G455 VanDerWaalsContact C-N 3.26Å; G455-C473 WeakPolarHBondContact O-CA 3.43Å; G455-R474 PolarHBondContact O-N 3.3Å; G455-R474 VanDerWaalsContact O-N 3.1Å |
| 456 | C | 90 | Very high | 84.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -71.7 | 133 | -177.7 | -57.4 | 0 | 0 | 0 | 0 | 111.6 | L132 C133 P451 A454 F470 C473 | L132-C456 WeakPolarHBondContact CB-O 3.32Å; L132-C456 HydrophobicContact CD2-CB 4.02Å; C133-C456 WeakPolarHBondContact CB-O 3.45Å; C133-C456 PolarHBondContact N-O 3.06Å; P451-C456 HydrophobicContact CB-CB 4.3Å; P451-C456 WeakPolarHBondContact O-CB 3.41Å; P451-C456 PolarHBondContact O-N 3.47Å; A454-C456 VanDerWaalsContact C-N 3.34Å; C456-F470 HydrophobicContact CB-CB 4.12Å; C456-C473 VanDerWaalsContact CA-SG 3.59Å; C456-C473 HydrophobicContact CB-CB 4.08Å; C456-C473 WeakPolarHBondContact CB-SG 3.44Å; C456-C473 WeakPolarHBondContact SG-CB 3.49Å; C456-C473 CovalentContact SG-SG 2.04Å; C456-C473 PolarHBondContact SG-SG 3.28Å | ||
| 457 | L | 87.9 | Confident | 83.6 | Confident | 66 Ų | 66 | 46.9 Ų | 46.9 | 35% | 0.346 | 26% | 0.256 | S | S | . | . | trans | -99.3 | -24.8 | -178.4 | -63.3 | 173.1 | 0 | 0 | 0 | 113 | C133 T471 N472 | C133-L457 HydrophobicContact CB-CD2 4.36Å; C133-L457 WeakPolarHBondContact O-CD2 3.44Å; L457-T471 PolarHBondContact N-O 3.3Å; L457-N472 HydrophobicContact CB-CB 4.08Å; L457-N472 HydrophobicContact CD1-CB 4.21Å; L457-N472 HydrophobicContact CG-CB 4.44Å; L457-N472 PolarHBondContact N-O 3.12Å | ||
| 458 | N | 85.3 | Confident | 83.2 | Confident | 78 Ų | 78 | 49.7 Ų | 49.7 | 42% | 0.417 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 146.9 | -173.9 | -68 | -27.1 | 0 | 0 | 0 | 111 | F470 T471 N472 | N458-F470 WeakPolarHBondContact O-CA 3.48Å; N458-T471 WeakPolarHBondContact CB-OG1 2.95Å; N458-T471 PolarHBondContact N-O 2.92Å; N458-T471 PolarHBondContact O-N 2.84Å; N458-N472 PolarHBondContact ND2-ND2 3.32Å |
| 459 | K | 86.8 | Confident | 83.2 | Confident | 77 Ų | 77 | 51.5 Ų | 51.5 | 34% | 0.335 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.3 | 168.4 | 66.3 | -179 | -176.8 | 175.1 | 0 | 109.7 | L132 M461 F470 | L132-K459 HydrophobicContact CD1-CB 4.29Å; L132-K459 HydrophobicContact CD1-CD 4.48Å; L132-K459 HydrophobicContact CD1-CG 4.17Å; L132-K459 HydrophobicContact CD2-CB 4.42Å; K459-M461 HydrophobicContact CD-SD 3.84Å; K459-M461 HydrophobicContact CG-SD 3.98Å; K459-F470 HydrophobicContact CB-CD1 3.81Å; K459-F470 HydrophobicContact CB-CE1 3.77Å |
| 460 | V | 85.2 | Confident | 83.3 | Confident | 67 Ų | 67 | 50.4 Ų | 50.4 | 41% | 0.406 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.6 | 174.6 | -175.8 | 0 | 0 | 0 | 0 | 107.5 | P467 T468 N469 T471 | V460-P467 CarbonylContact O-C 3.26Å; V460-P467 WeakPolarHBondContact O-CA 3.36Å; V460-T468 PolarHBondContact O-N 2.94Å; V460-T468 PolarHBondContact O-OG1 2.85Å; V460-N469 HydrophobicContact CB-CB 4.27Å; V460-N469 HydrophobicContact CG2-CB 4.43Å; V460-N469 PolarHBondContact N-O 2.84Å; V460-T471 HydrophobicContact CG2-CG2 4.28Å |
| 461 | M | 81.3 | Confident | 83.3 | Confident | 69 Ų | 69 | 52 Ų | 52 | 34% | 0.34 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 146.9 | -176.9 | -51.3 | -63.2 | -74.6 | 0 | 0 | 110 | K459 N465 K466 P467 | K459-M461 HydrophobicContact CD-SD 3.84Å; K459-M461 HydrophobicContact CG-SD 3.98Å; M461-N465 VanDerWaalsContact CE-C 3.49Å; M461-N465 WeakPolarHBondContact CE-O 3.29Å; M461-K466 CarbonylContact C-O 3.57Å; M461-K466 VanDerWaalsContact CA-O 3.27Å; M461-K466 WeakPolarHBondContact CA-O 3.3Å; M461-P467 HydrophobicContact SD-CB 3.96Å |
| 462 | D | 78.8 | Confident | 83.4 | Confident | 91 Ų | 91 | 56.2 Ų | 56.2 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | trans | -80.9 | 175.3 | 170.5 | -151 | -10.7 | 0 | 0 | 0 | 112.1 | D464 N465 K466 T468 | D462-D464 PolarHBondContact O-N 3.16Å; D462-N465 PolarHBondContact O-N 2.92Å; D462-K466 PolarHBondContact N-O 3.41Å; D462-T468 HydrophobicContact CB-CG2 3.62Å | ||
| 463 | A | 74.1 | Confident | 83.5 | Confident | 96 Ų | 96 | 56.1 Ų | 56.1 | 79% | 0.793 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -28 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | N465 | A463-N465 VanDerWaalsContact C-N 3.3Å; A463-N465 PolarHBondContact O-N 3.3Å |
| 464 | D | 67.4 | Low | 83.6 | Confident | 124 Ų | 124 | 60.4 Ų | 60.4 | 66% | 0.663 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 16 | 175.3 | -68.4 | -35.3 | 0 | 0 | 0 | 113.3 | D462 K466 | D462-D464 PolarHBondContact O-N 3.16Å; D464-K466 HydrophobicContact CB-CG 4.46Å; D464-K466 PolarHBondContact O-N 2.82Å |
| 465 | N | 68.9 | Low | 83.5 | Confident | 115 Ų | 115 | 60.6 Ų | 60.6 | 62% | 0.615 | 33% | 0.327 | S | S | * | . | S | Bend | trans | 55.4 | 32.5 | -175.1 | -87.4 | -3.5 | 0 | 0 | 0 | 113.9 | M461 D462 A463 | M461-N465 VanDerWaalsContact CE-C 3.49Å; M461-N465 WeakPolarHBondContact CE-O 3.29Å; D462-N465 PolarHBondContact O-N 2.92Å; A463-N465 VanDerWaalsContact C-N 3.3Å; A463-N465 PolarHBondContact O-N 3.3Å |
| 466 | K | 72.5 | Confident | 83.5 | Confident | 87 Ų | 87 | 61 Ų | 61 | 38% | 0.378 | 33% | 0.329 | S | S | . | . | trans | -98.8 | 136.2 | 173.5 | -69 | -178.6 | -179.1 | 176.9 | 0 | 111 | M461 D462 D464 T468 | M461-K466 CarbonylContact C-O 3.57Å; M461-K466 VanDerWaalsContact CA-O 3.27Å; M461-K466 WeakPolarHBondContact CA-O 3.3Å; D462-K466 PolarHBondContact N-O 3.41Å; D464-K466 HydrophobicContact CB-CG 4.46Å; D464-K466 PolarHBondContact O-N 2.82Å; K466-T468 PolarHBondContact O-N 3.35Å | ||
| 467 | P | 75.4 | Confident | 83.2 | Confident | 33 Ų | 33 | 69 Ų | 69 | 21% | 0.214 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 125.7 | 174.6 | 27.1 | -31.9 | 0 | 0 | 0 | 109.4 | V460 M461 F470 P485 | V460-P467 CarbonylContact O-C 3.26Å; V460-P467 WeakPolarHBondContact O-CA 3.36Å; M461-P467 HydrophobicContact SD-CB 3.96Å; P467-F470 HydrophobicContact CB-CE2 4.49Å; P467-F470 HydrophobicContact CB-CZ 4.09Å; P467-P485 HydrophobicContact CB-CG 4.45Å; P467-P485 WeakPolarHBondContact O-CG 2.94Å |
| 468 | T | 82.8 | Confident | 82.7 | Confident | 62 Ų | 62 | 69 Ų | 69 | 38% | 0.38 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -31.3 | 177.8 | 51.5 | 0 | 0 | 0 | 0 | 111.9 | V460 D462 K466 P485 | V460-T468 PolarHBondContact O-N 2.94Å; V460-T468 PolarHBondContact O-OG1 2.85Å; D462-T468 HydrophobicContact CB-CG2 3.62Å; K466-T468 PolarHBondContact O-N 3.35Å; T468-P485 WeakPolarHBondContact O-CD 3.43Å |
| 469 | N | 89.6 | Confident | 81.9 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 25% | 0.251 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 144.6 | -179 | -156.5 | -7.1 | 0 | 0 | 0 | 111.3 | V460 A483 | V460-N469 HydrophobicContact CB-CB 4.27Å; V460-N469 HydrophobicContact CG2-CB 4.43Å; V460-N469 PolarHBondContact N-O 2.84Å; N469-A483 PolarHBondContact OD1-N 2.02Å; N469-A483 PolarHBondContact OD1-O 3.21Å |
| 470 | F | 89.9 | Confident | 81.5 | Confident | 7 Ų | 7 | 68.8 Ų | 68.8 | 3% | 0.031 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 136.1 | 169.4 | -63.2 | -83.7 | 0 | 0 | 0 | 108.7 | L132 I440 P451 C456 N458 K459 P467 S482 A483 P485 | L132-F470 HydrophobicContact CD2-CD1 3.74Å; L132-F470 HydrophobicContact CD2-CE1 4.09Å; I440-F470 HydrophobicContact CG2-CD2 3.79Å; I440-F470 HydrophobicContact CG2-CE2 3.64Å; I440-F470 HydrophobicContact CG2-CZ 4.48Å; P451-F470 HydrophobicContact CB-CD1 3.79Å; P451-F470 HydrophobicContact CB-CE1 3.8Å; P451-F470 HydrophobicContact CB-CG 4.28Å; P451-F470 HydrophobicContact CB-CZ 4.32Å; P451-F470 HydrophobicContact CG-CD1 3.95Å; P451-F470 HydrophobicContact CG-CD2 4.4Å; P451-F470 HydrophobicContact CG-CE1 3.51Å; P451-F470 HydrophobicContact CG-CE2 4.02Å; P451-F470 HydrophobicContact CG-CG 4.36Å; P451-F470 HydrophobicContact CG-CZ 3.55Å; C456-F470 HydrophobicContact CB-CB 4.12Å; N458-F470 WeakPolarHBondContact O-CA 3.48Å; K459-F470 HydrophobicContact CB-CD1 3.81Å; K459-F470 HydrophobicContact CB-CE1 3.77Å; P467-F470 HydrophobicContact CB-CE2 4.49Å; P467-F470 HydrophobicContact CB-CZ 4.09Å; F470-S482 CarbonylContact O-C 3.3Å; F470-S482 WeakPolarHBondContact O-CA 3.43Å; F470-A483 HydrophobicContact CB-CB 4.32Å; F470-A483 PolarHBondContact N-O 3.01Å; F470-A483 PolarHBondContact O-N 3.38Å; F470-P485 HydrophobicContact CE2-CB 4.32Å; F470-P485 HydrophobicContact CE2-CG 4.06Å |
| 471 | T | 90.3 | Very high | 81.6 | Confident | 36 Ų | 36 | 66.1 Ų | 66.1 | 22% | 0.221 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 162.8 | -174.5 | 56 | 0 | 0 | 0 | 0 | 111.7 | L457 N458 V460 C473 | L457-T471 PolarHBondContact N-O 3.3Å; N458-T471 WeakPolarHBondContact CB-OG1 2.95Å; N458-T471 PolarHBondContact N-O 2.92Å; N458-T471 PolarHBondContact O-N 2.84Å; V460-T471 HydrophobicContact CG2-CG2 4.28Å; T471-C473 VanDerWaalsContact C-N 3.34Å |
| 472 | N | 90.1 | Very high | 82.1 | Confident | 92 Ų | 92 | 64.1 Ų | 64.1 | 49% | 0.492 | 37% | 0.367 | S | S | . | . | trans | 58 | 44.6 | -175.3 | -63.3 | -35.2 | 0 | 0 | 0 | 112.4 | L457 N458 G481 | L457-N472 HydrophobicContact CB-CB 4.08Å; L457-N472 HydrophobicContact CD1-CB 4.21Å; L457-N472 HydrophobicContact CG-CB 4.44Å; L457-N472 PolarHBondContact N-O 3.12Å; N458-N472 PolarHBondContact ND2-ND2 3.32Å; N472-G481 PolarHBondContact N-O 3.22Å; N472-G481 VanDerWaalsContact N-O 3.12Å | ||
| 473 | C | 90.7 | Very high | 82.7 | Confident | 5 Ų | 5 | 59.8 Ų | 59.8 | 3% | 0.034 | 35% | 0.345 | C | S | . | . | trans | -83.8 | 110.5 | 178.4 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | A454 G455 C456 T471 C475 I476 G481 | A454-C473 CarbonylContact O-C 3.54Å; A454-C473 WeakPolarHBondContact O-CB 3.09Å; G455-C473 WeakPolarHBondContact O-CA 3.43Å; C456-C473 VanDerWaalsContact CA-SG 3.59Å; C456-C473 HydrophobicContact CB-CB 4.08Å; C456-C473 WeakPolarHBondContact CB-SG 3.44Å; C456-C473 WeakPolarHBondContact SG-CB 3.49Å; C456-C473 CovalentContact SG-SG 2.04Å; C456-C473 PolarHBondContact SG-SG 3.28Å; T471-C473 VanDerWaalsContact C-N 3.34Å; C473-C475 PolarHBondContact O-N 2.88Å; C473-I476 HydrophobicContact CB-CB 4.33Å; C473-I476 HydrophobicContact CB-CD1 3.54Å; C473-I476 HydrophobicContact CB-CG1 3.82Å; C473-I476 PolarHBondContact O-N 2.93Å; C473-G481 WeakPolarHBondContact CB-O 3.21Å; C473-G481 PolarHBondContact N-O 3.5Å | ||
| 474 | R | 89.6 | Confident | 83.5 | Confident | 117 Ų | 117 | 61.6 Ų | 61.6 | 44% | 0.442 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -23.1 | -175.1 | -65.2 | -179 | -176.8 | 170.8 | 2.5 | 114.6 | C426 A454 G455 | C426-R474 HydrophobicContact CB-CB 4.42Å; A454-R474 PolarHBondContact O-N 2.96Å; G455-R474 PolarHBondContact O-N 3.3Å; G455-R474 VanDerWaalsContact O-N 3.1Å |
| 475 | C | 87.9 | Confident | 84.5 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.02 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 4.1 | -176.3 | -59.9 | 0 | 0 | 0 | 0 | 113.7 | C426 Y448 A454 C473 | C426-C475 HydrophobicContact CB-CB 4.14Å; C426-C475 WeakPolarHBondContact CB-SG 3.32Å; C426-C475 WeakPolarHBondContact SG-CA 3.42Å; C426-C475 WeakPolarHBondContact SG-CB 3.44Å; C426-C475 CovalentContact SG-SG 2.03Å; C426-C475 PolarHBondContact SG-SG 2.65Å; Y448-C475 HydrophobicContact CE1-CB 3.87Å; Y448-C475 PolarHBondContact OH-O 2.8Å; A454-C475 VanDerWaalsContact O-CB 3.26Å; A454-C475 WeakPolarHBondContact O-CB 3.07Å; A454-C475 PolarHBondContact O-N 2.83Å; C473-C475 PolarHBondContact O-N 2.88Å |
| 476 | I | 90 | Very high | 85.4 | Confident | 9 Ų | 9 | 53.7 Ų | 53.7 | 5% | 0.046 | 30% | 0.302 | C | S | . | . | trans | -110.7 | 106.5 | -178.5 | -54.2 | -178 | 0 | 0 | 0 | 108.5 | S443 N444 Y448 C473 D478 S482 A483 | S443-I476 WeakPolarHBondContact OG-CG2 3.18Å; N444-I476 HydrophobicContact CB-CG2 4.26Å; Y448-I476 HydrophobicContact CE2-CD1 4.29Å; Y448-I476 HydrophobicContact CE2-CG1 3.95Å; C473-I476 HydrophobicContact CB-CB 4.33Å; C473-I476 HydrophobicContact CB-CD1 3.54Å; C473-I476 HydrophobicContact CB-CG1 3.82Å; C473-I476 PolarHBondContact O-N 2.93Å; I476-D478 PolarHBondContact O-N 3.18Å; I476-S482 WeakPolarHBondContact CD1-O 3.39Å; I476-A483 HydrophobicContact CD1-CB 3.79Å | ||
| 477 | Y | 82.2 | Confident | 86.1 | Confident | 169 Ų | 169 | 51.3 Ų | 51.3 | 66% | 0.663 | 30% | 0.295 | S | S | * | . | trans | -100.6 | 50.7 | -169.8 | -55.5 | -78.3 | 0 | 0 | 0 | 113.4 | C426 | C426-Y477 WeakPolarHBondContact CB-OH 3.19Š| ||
| 478 | D | 79 | Confident | 86.7 | Confident | 65 Ų | 65 | 52.1 Ų | 52.1 | 35% | 0.348 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -118.8 | 5.9 | -177.6 | 78.1 | -28.7 | 0 | 0 | 0 | 113.9 | S443 N444 I476 S480 G481 | S443-D478 WeakPolarHBondContact CB-OD2 3.1Å; S443-D478 PolarHBondContact OG-OD1 3.04Å; S443-D478 PolarHBondContact OG-OD2 2.89Å; N444-D478 HydrophobicContact CB-CB 4.39Å; I476-D478 PolarHBondContact O-N 3.18Å; D478-S480 VanDerWaalsContact C-N 3.26Å; D478-S480 PolarHBondContact O-N 3.45Å; D478-S480 PolarHBondContact OD1-N 2.96Å; D478-S480 PolarHBondContact OD1-OG 2.91Å; D478-S480 VanDerWaalsContact OD1-OG 3.12Å; D478-S480 PolarHBondContact OD2-OG 3.05Å; D478-G481 PolarHBondContact OD1-N 3.36Å |
| 479 | G | 67.8 | Low | 86.6 | Confident | 86 Ų | 86 | 50.2 Ų | 50.2 | 89% | 0.887 | 29% | 0.294 | S | S | * | . | S | Bend | trans | 83.7 | -19.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 480 | S | 78.2 | Confident | 86 | Confident | 65 Ų | 65 | 49.7 Ų | 49.7 | 46% | 0.455 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -91.8 | -31.5 | 174.3 | 79.5 | 0 | 0 | 0 | 0 | 112.3 | S443 D478 S482 | S443-S480 WeakPolarHBondContact CB-OG 3.22Å; S443-S480 PolarHBondContact OG-OG 3.11Å; D478-S480 VanDerWaalsContact C-N 3.26Å; D478-S480 PolarHBondContact O-N 3.45Å; D478-S480 PolarHBondContact OD1-N 2.96Å; D478-S480 PolarHBondContact OD1-OG 2.91Å; D478-S480 VanDerWaalsContact OD1-OG 3.12Å; D478-S480 PolarHBondContact OD2-OG 3.05Å; S480-S482 PolarHBondContact O-N 2.9Å; S480-S482 PolarHBondContact OG-OG 3.41Å; S480-S482 VanDerWaalsContact OG-OG 3.12Å |
| 481 | G | 86.6 | Confident | 85.4 | Confident | 11 Ų | 11 | 55.1 Ų | 55.1 | 11% | 0.113 | 33% | 0.332 | C | S | . | . | trans | 57 | 34.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N472 C473 D478 | N472-G481 PolarHBondContact N-O 3.22Å; N472-G481 VanDerWaalsContact N-O 3.12Å; C473-G481 WeakPolarHBondContact CB-O 3.21Å; C473-G481 PolarHBondContact N-O 3.5Å; D478-G481 PolarHBondContact OD1-N 3.36Å | ||
| 482 | S | 91.6 | Very high | 85.2 | Confident | 26 Ų | 26 | 54 Ų | 54 | 18% | 0.182 | 33% | 0.326 | C | S | . | . | trans | -117.8 | 154.1 | -172.7 | 68.2 | 0 | 0 | 0 | 0 | 112.2 | S443 F470 I476 S480 | S443-S482 WeakPolarHBondContact CB-O 3.34Å; S443-S482 PolarHBondContact N-O 3Å; S443-S482 PolarHBondContact OG-O 3.1Å; F470-S482 CarbonylContact O-C 3.3Å; F470-S482 WeakPolarHBondContact O-CA 3.43Å; I476-S482 WeakPolarHBondContact CD1-O 3.39Å; S480-S482 PolarHBondContact O-N 2.9Å; S480-S482 PolarHBondContact OG-OG 3.41Å; S480-S482 VanDerWaalsContact OG-OG 3.12Å | ||
| 483 | A | 92.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.008 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 137.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I440 C441 N469 F470 I476 | I440-A483 HydrophobicContact CB-CB 4.3Å; I440-A483 HydrophobicContact CD1-CB 3.67Å; I440-A483 HydrophobicContact CG1-CB 4.31Å; C441-A483 CarbonylContact O-C 3.43Å; C441-A483 WeakPolarHBondContact O-CA 3.29Å; C441-A483 WeakPolarHBondContact O-CB 3.28Å; N469-A483 PolarHBondContact OD1-N 2.02Å; N469-A483 PolarHBondContact OD1-O 3.21Å; F470-A483 HydrophobicContact CB-CB 4.32Å; F470-A483 PolarHBondContact N-O 3.01Å; F470-A483 PolarHBondContact O-N 3.38Å; I476-A483 HydrophobicContact CD1-CB 3.79Å |
| 484 | Q | 91.8 | Very high | 84.8 | Confident | 133 Ų | 133 | 59.3 Ų | 59.3 | 62% | 0.621 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 145.1 | 176.6 | -66.1 | -177.4 | 2.3 | 0 | 0 | 111.1 | I440 C441 | I440-Q484 CarbonylContact C-O 3.59Å; I440-Q484 WeakPolarHBondContact CA-O 3.46Å; I440-Q484 WeakPolarHBondContact CB-O 3.48Å; C441-Q484 PolarHBondContact N-O 3.02Å; C441-Q484 PolarHBondContact O-N 3.37Å |
| 485 | P | 87.8 | Confident | 85 | Confident | 53 Ų | 53 | 55.9 Ų | 55.9 | 34% | 0.344 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 143.5 | 171.2 | -14.8 | 23.2 | 0 | 0 | 0 | 112.5 | P467 T468 F470 | P467-P485 HydrophobicContact CB-CG 4.45Å; P467-P485 WeakPolarHBondContact O-CG 2.94Å; T468-P485 WeakPolarHBondContact O-CD 3.43Å; F470-P485 HydrophobicContact CE2-CB 4.32Å; F470-P485 HydrophobicContact CE2-CG 4.06Å |
| 486 | G | 87.6 | Confident | 85.3 | Confident | 20 Ų | 20 | 56.6 Ų | 56.6 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | S | Bend | trans | 91.3 | -176.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | P439 I440 C441 | P439-G486 CarbonylContact C-O 3.48Å; P439-G486 CarbonylContact O-C 3.42Å; P439-G486 VanDerWaalsContact O-CA 3.26Å; P439-G486 WeakPolarHBondContact O-CA 3.32Å; P439-G486 PolarHBondContact O-N 3.26Å; I440-G486 CarbonylContact C-O 3.54Å; I440-G486 WeakPolarHBondContact CA-O 3.34Å; I440-G486 PolarHBondContact N-O 3.26Å; C441-G486 PolarHBondContact N-O 3.48Å |
| 487 | T | 87.9 | Confident | 85.4 | Confident | 37 Ų | 37 | 62 Ų | 62 | 23% | 0.227 | 38% | 0.378 | C | S | . | . | trans | -76.1 | 159.8 | -178.4 | 66.3 | 0 | 0 | 0 | 0 | 111.2 | L236 P439 E447 G489 | L236-T487 HydrophobicContact CD1-CG2 3.61Å; L236-T487 HydrophobicContact CG-CG2 3.82Å; P439-T487 HydrophobicContact CB-CG2 4.35Å; P439-T487 HydrophobicContact CG-CG2 4.42Å; E447-T487 WeakPolarHBondContact OE1-CG2 3.27Å; E447-T487 WeakPolarHBondContact OE2-CA 3.37Å; E447-T487 VanDerWaalsContact OE2-CB 3.26Å; E447-T487 WeakPolarHBondContact OE2-CB 3.16Å; T487-G489 PolarHBondContact O-N 3.4Å; T487-G489 PolarHBondContact OG1-N 3.49Å | ||
| 488 | C | 87.4 | Confident | 86.1 | Confident | 50 Ų | 50 | 56.4 Ų | 56.4 | 34% | 0.338 | 36% | 0.362 | S | S | . | . | trans | -66.5 | -0.6 | 173.2 | -71.6 | 0 | 0 | 0 | 0 | 113.8 | C441 E447 | C441-C488 WeakPolarHBondContact CA-SG 3.44Å; C441-C488 HydrophobicContact CB-CB 3.9Å; C441-C488 WeakPolarHBondContact CB-SG 3.49Å; C441-C488 WeakPolarHBondContact SG-CA 3.21Å; C441-C488 WeakPolarHBondContact SG-CB 3.17Å; C441-C488 CovalentContact SG-SG 2.04Å; C441-C488 PolarHBondContact SG-SG 3.12Å; E447-C488 PolarHBondContact OE2-N 3.22Å | ||
| 489 | G | 79.8 | Confident | 86.8 | Confident | 23 Ų | 23 | 53.3 Ų | 53.3 | 24% | 0.237 | 35% | 0.345 | C | S | . | . | trans | 66.6 | -169.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | T487 | T487-G489 PolarHBondContact O-N 3.4Å; T487-G489 PolarHBondContact OG1-N 3.49Å | ||
| 490 | S | 77.9 | Confident | 88.1 | Confident | 36 Ų | 36 | 50 Ų | 50 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | trans | -142.5 | 119.8 | -176 | 68.8 | 0 | 0 | 0 | 0 | 110 | S346 C492 | S346-S490 WeakPolarHBondContact OG-CB 3.45Å; S346-S490 PolarHBondContact OG-OG 2.81Å; S346-S490 VanDerWaalsContact OG-OG 3.08Å; S490-C492 WeakPolarHBondContact CB-SG 3.26Å; S490-C492 PolarHBondContact O-N 2.97Å; S490-C492 PolarHBondContact OG-SG 3.42Å | ||
| 491 | S | 77.6 | Confident | 89 | Confident | 120 Ų | 120 | 51.4 Ų | 51.4 | 84% | 0.839 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 13.1 | -175.6 | -48.2 | 0 | 0 | 0 | 0 | 115.2 | H494 | S491-H494 PolarHBondContact O-ND1 2.87Š|
| 492 | C | 86.6 | Confident | 89.4 | Confident | 14 Ų | 14 | 52.7 Ų | 52.7 | 10% | 0.095 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | 15.3 | -170 | 39.1 | 0 | 0 | 0 | 0 | 112.5 | C408 S490 H494 L495 | C408-C492 VanDerWaalsContact CA-SG 3.52Å; C408-C492 HydrophobicContact CB-CB 4.01Å; C408-C492 WeakPolarHBondContact CB-SG 3.29Å; C408-C492 WeakPolarHBondContact SG-CB 3.27Å; C408-C492 CovalentContact SG-SG 1.99Å; C408-C492 PolarHBondContact SG-SG 3.28Å; S490-C492 WeakPolarHBondContact CB-SG 3.26Å; S490-C492 PolarHBondContact O-N 2.97Å; S490-C492 PolarHBondContact OG-SG 3.42Å; C492-H494 PolarHBondContact O-N 3.36Å; C492-L495 HydrophobicContact CB-CD1 3.98Å; C492-L495 HydrophobicContact CB-CG 4.46Å; C492-L495 WeakPolarHBondContact O-CB 3.29Å; C492-L495 PolarHBondContact O-N 2.99Å |
| 493 | S | 83.4 | Confident | 89.6 | Confident | 77 Ų | 77 | 52.5 Ų | 52.5 | 54% | 0.538 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -54.7 | -33.9 | 176.6 | 55.8 | 0 | 0 | 0 | 0 | 112.8 | L495 L496 | S493-L495 PolarHBondContact O-N 2.92Å; S493-L496 VanDerWaalsContact O-CB 3.28Å; S493-L496 WeakPolarHBondContact O-CB 3.38Å; S493-L496 PolarHBondContact O-N 3.34Å; S493-L496 VanDerWaalsContact O-N 3.13Å |
| 494 | H | 89.1 | Confident | 89.7 | Confident | 130 Ų | 130 | 52.7 Ų | 52.7 | 60% | 0.602 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -61.9 | -22.3 | 175.8 | 69.9 | -85.9 | 0 | 0 | 0 | 113.9 | S491 C492 L496 P498 | S491-H494 PolarHBondContact O-ND1 2.87Å; C492-H494 PolarHBondContact O-N 3.36Å; H494-L496 VanDerWaalsContact C-N 3.35Å; H494-P498 WeakPolarHBondContact O-CD 3.37Å |
| 495 | L | 93.3 | Very high | 90 | Very high | 46 Ų | 46 | 50 Ų | 50 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -81.8 | -12.9 | 178.2 | -62.2 | 178.4 | 0 | 0 | 0 | 113.3 | F345 I406 C492 S493 P498 F499 | F345-L495 HydrophobicContact CE1-CB 4.01Å; I406-L495 HydrophobicContact CG2-CB 3.94Å; I406-L495 WeakPolarHBondContact CG2-O 3.45Å; C492-L495 HydrophobicContact CB-CD1 3.98Å; C492-L495 HydrophobicContact CB-CG 4.46Å; C492-L495 WeakPolarHBondContact O-CB 3.29Å; C492-L495 PolarHBondContact O-N 2.99Å; S493-L495 PolarHBondContact O-N 2.92Å; L495-P498 WeakPolarHBondContact O-CD 3.43Å; L495-P498 WeakPolarHBondContact O-CG 3.26Å; L495-F499 WeakPolarHBondContact O-CB 3.46Å; L495-F499 PolarHBondContact O-N 3.46Å |
| 496 | L | 93.4 | Very high | 90.3 | Very high | 18 Ų | 18 | 47.6 Ų | 47.6 | 9% | 0.094 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.6 | -46.1 | -179.5 | 178 | 61.8 | 0 | 0 | 0 | 111.7 | I341 F345 Q347 M355 S493 H494 F499 I500 | I341-L496 HydrophobicContact CG2-CD1 4.07Å; F345-L496 HydrophobicContact CB-CD1 3.97Å; F345-L496 HydrophobicContact CD1-CB 3.95Å; F345-L496 HydrophobicContact CD1-CD1 4.18Å; F345-L496 HydrophobicContact CD2-CD1 3.78Å; F345-L496 HydrophobicContact CE1-CB 4.4Å; F345-L496 HydrophobicContact CE2-CD1 4.31Å; F345-L496 HydrophobicContact CG-CB 4.29Å; F345-L496 HydrophobicContact CG-CD1 3.72Å; Q347-L496 HydrophobicContact CG-CD2 3.77Å; M355-L496 HydrophobicContact CE-CD1 4.39Å; M355-L496 HydrophobicContact CE-CD2 3.77Å; M355-L496 HydrophobicContact CE-CG 4.25Å; M355-L496 HydrophobicContact SD-CD1 4.25Å; S493-L496 VanDerWaalsContact O-CB 3.28Å; S493-L496 WeakPolarHBondContact O-CB 3.38Å; S493-L496 PolarHBondContact O-N 3.34Å; S493-L496 VanDerWaalsContact O-N 3.13Å; H494-L496 VanDerWaalsContact C-N 3.35Å; L496-F499 WeakPolarHBondContact O-CB 3.3Å; L496-F499 PolarHBondContact O-N 3.01Å; L496-I500 HydrophobicContact CD1-CD1 4.38Å; L496-I500 HydrophobicContact CD1-CG1 4.03Å; L496-I500 HydrophobicContact CG-CG1 4.4Å; L496-I500 WeakPolarHBondContact O-CG1 3.21Å; L496-I500 PolarHBondContact O-N 3.19Å |
| 497 | L | 93.4 | Very high | 90.6 | Very high | 122 Ų | 122 | 48 Ų | 48 | 64% | 0.639 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -59.4 | -52.4 | -179.4 | -174.6 | 67.9 | 0 | 0 | 0 | 113 | F499 I500 I501 | L497-F499 VanDerWaalsContact C-N 3.26Å; L497-F499 PolarHBondContact O-N 3.05Å; L497-I500 PolarHBondContact O-N 2.99Å; L497-I501 HydrophobicContact CD1-CD1 4.49Å; L497-I501 HydrophobicContact CG-CD1 4.15Å; L497-I501 WeakPolarHBondContact O-CG1 3.24Å; L497-I501 PolarHBondContact O-N 3.21Å |
| 498 | P | 94.9 | Very high | 91 | Very high | 51 Ų | 51 | 48.9 Ų | 48.9 | 33% | 0.331 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.4 | -33.7 | 176.8 | 23.2 | -32.5 | 0 | 0 | 0 | 112.3 | H494 L495 I501 L502 | H494-P498 WeakPolarHBondContact O-CD 3.37Å; L495-P498 WeakPolarHBondContact O-CD 3.43Å; L495-P498 WeakPolarHBondContact O-CG 3.26Å; P498-I501 PolarHBondContact O-N 3.05Å; P498-L502 WeakPolarHBondContact O-CG 3.26Å; P498-L502 PolarHBondContact O-N 2.94Å |
| 499 | F | 95.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 173.9 | -178.4 | -90.9 | 0 | 0 | 0 | 112.2 | M337 F340 I341 F345 M403 I406 L495 L496 L497 I501 L502 M503 L587 | M337-F499 HydrophobicContact SD-CZ 4.41Å; F340-F499 HydrophobicContact CD1-CE1 4.4Å; F340-F499 AromaticContact CD1-CZ 3.96Å; F340-F499 HydrophobicContact CD1-CZ 3.96Å; F340-F499 HydrophobicContact CE1-CE1 4.18Å; F340-F499 AromaticContact CE1-CE2 3.86Å; F340-F499 HydrophobicContact CE1-CE2 3.86Å; F340-F499 AromaticContact CE1-CZ 3.44Å; F340-F499 HydrophobicContact CE1-CZ 3.44Å; F340-F499 VanDerWaalsContact CE1-CZ 3.44Å; F340-F499 HydrophobicContact CZ-CZ 4.48Å; I341-F499 HydrophobicContact CG1-CE1 4.32Å; F345-F499 HydrophobicContact CE1-CB 4.4Å; F345-F499 HydrophobicContact CE2-CB 4.2Å; F345-F499 AromaticContact CE2-CD1 3.72Å; F345-F499 HydrophobicContact CE2-CD1 3.72Å; F345-F499 HydrophobicContact CE2-CD2 4.11Å; F345-F499 HydrophobicContact CE2-CE1 4.11Å; F345-F499 HydrophobicContact CE2-CE2 4.46Å; F345-F499 AromaticContact CE2-CG 3.73Å; F345-F499 HydrophobicContact CE2-CG 3.73Å; F345-F499 HydrophobicContact CE2-CZ 4.48Å; F345-F499 HydrophobicContact CZ-CB 3.65Å; F345-F499 HydrophobicContact CZ-CD1 4.04Å; F345-F499 AromaticContact CZ-CD2 3.86Å; F345-F499 HydrophobicContact CZ-CD2 3.86Å; F345-F499 AromaticContact CZ-CG 3.57Å; F345-F499 HydrophobicContact CZ-CG 3.57Å; M403-F499 HydrophobicContact CB-CD2 4.32Å; M403-F499 HydrophobicContact CB-CE2 4.02Å; M403-F499 HydrophobicContact CG-CD2 4.45Å; M403-F499 HydrophobicContact CG-CE2 4.37Å; M403-F499 HydrophobicContact SD-CE2 4.19Å; M403-F499 HydrophobicContact SD-CZ 4.5Å; I406-F499 HydrophobicContact CG2-CB 3.97Å; I406-F499 HydrophobicContact CG2-CD2 4.4Å; L495-F499 WeakPolarHBondContact O-CB 3.46Å; L495-F499 PolarHBondContact O-N 3.46Å; L496-F499 WeakPolarHBondContact O-CB 3.3Å; L496-F499 PolarHBondContact O-N 3.01Å; L497-F499 VanDerWaalsContact C-N 3.26Å; L497-F499 PolarHBondContact O-N 3.05Å; F499-I501 VanDerWaalsContact C-N 3.35Å; F499-I501 PolarHBondContact O-N 2.78Å; F499-L502 PolarHBondContact O-N 2.89Å; F499-M503 HydrophobicContact CE1-SD 4.3Å; F499-M503 VanDerWaalsContact O-CB 3.31Å; F499-M503 WeakPolarHBondContact O-CB 3.45Å; F499-M503 PolarHBondContact O-N 3.47Å; F499-L587 HydrophobicContact CE2-CD1 4Å |
| 500 | I | 95 | Very high | 92.1 | Very high | 17 Ų | 17 | 46.4 Ų | 46.4 | 9% | 0.087 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 179.4 | -65.8 | -60.6 | 0 | 0 | 0 | 111.7 | I341 M355 I359 L496 L497 M503 G504 | I341-I500 HydrophobicContact CD1-CD1 3.93Å; M355-I500 HydrophobicContact CB-CD1 4.12Å; M355-I500 HydrophobicContact CG-CD1 4.24Å; M355-I500 HydrophobicContact SD-CD1 3.67Å; M355-I500 HydrophobicContact SD-CG1 3.97Å; I359-I500 HydrophobicContact CD1-CG2 4.18Å; L496-I500 HydrophobicContact CD1-CD1 4.38Å; L496-I500 HydrophobicContact CD1-CG1 4.03Å; L496-I500 HydrophobicContact CG-CG1 4.4Å; L496-I500 WeakPolarHBondContact O-CG1 3.21Å; L496-I500 PolarHBondContact O-N 3.19Å; L497-I500 PolarHBondContact O-N 2.99Å; I500-M503 PolarHBondContact O-N 3.32Å; I500-G504 PolarHBondContact O-N 3.1Å |
| 501 | I | 95.5 | Very high | 92.8 | Very high | 95 Ų | 95 | 45.4 Ų | 45.4 | 49% | 0.487 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.8 | -50 | 175.2 | -68.2 | 168.3 | 0 | 0 | 0 | 110.4 | L497 P498 F499 M503 G504 I505 | L497-I501 HydrophobicContact CD1-CD1 4.49Å; L497-I501 HydrophobicContact CG-CD1 4.15Å; L497-I501 WeakPolarHBondContact O-CG1 3.24Å; L497-I501 PolarHBondContact O-N 3.21Å; P498-I501 PolarHBondContact O-N 3.05Å; F499-I501 VanDerWaalsContact C-N 3.35Å; F499-I501 PolarHBondContact O-N 2.78Å; I501-M503 PolarHBondContact O-N 2.95Å; I501-G504 PolarHBondContact O-N 3.23Å; I501-I505 HydrophobicContact CG2-CD1 3.91Å; I501-I505 WeakPolarHBondContact O-CG1 3.27Å; I501-I505 PolarHBondContact O-N 3.47Å |
| 502 | L | 95.9 | Very high | 93.6 | Very high | 37 Ų | 37 | 41 Ų | 41 | 19% | 0.194 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 177.8 | -75 | 169.4 | 0 | 0 | 0 | 111.6 | P402 M403 I406 P498 F499 G504 I505 T506 | P402-L502 HydrophobicContact CB-CD1 4.11Å; M403-L502 HydrophobicContact CG-CB 3.82Å; M403-L502 HydrophobicContact CG-CD1 4.17Å; M403-L502 HydrophobicContact SD-CB 4.08Å; I406-L502 HydrophobicContact CD1-CD1 3.45Å; I406-L502 VanDerWaalsContact CD1-CD1 3.45Å; P498-L502 WeakPolarHBondContact O-CG 3.26Å; P498-L502 PolarHBondContact O-N 2.94Å; F499-L502 PolarHBondContact O-N 2.89Å; L502-G504 VanDerWaalsContact C-N 3.3Å; L502-G504 PolarHBondContact O-N 2.62Å; L502-I505 PolarHBondContact O-N 2.89Å; L502-T506 WeakPolarHBondContact O-CB 3.48Å; L502-T506 PolarHBondContact O-N 3.23Å; L502-T506 PolarHBondContact O-OG1 3.07Å |
| 503 | M | 95.3 | Very high | 93.9 | Very high | 23 Ų | 23 | 40.5 Ų | 40.5 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.4 | -41.4 | 176.6 | -169 | -164.8 | 114 | 0 | 0 | 111.7 | M337 I341 I356 M403 F499 I500 I501 T506 S507 | M337-M503 HydrophobicContact CE-CG 4.22Å; M337-M503 HydrophobicContact CE-SD 3.98Å; M337-M503 HydrophobicContact CG-CE 4.41Å; M337-M503 HydrophobicContact CG-SD 3.82Å; M337-M503 HydrophobicContact SD-SD 4.18Å; I341-M503 HydrophobicContact CD1-SD 4.41Å; I356-M503 HydrophobicContact CD1-CE 3.45Å; I356-M503 VanDerWaalsContact CD1-CE 3.45Å; I356-M503 HydrophobicContact CD1-SD 4.18Å; M403-M503 HydrophobicContact SD-CB 4.14Å; F499-M503 HydrophobicContact CE1-SD 4.3Å; F499-M503 VanDerWaalsContact O-CB 3.31Å; F499-M503 WeakPolarHBondContact O-CB 3.45Å; F499-M503 PolarHBondContact O-N 3.47Å; I500-M503 PolarHBondContact O-N 3.32Å; I501-M503 PolarHBondContact O-N 2.95Å; M503-T506 PolarHBondContact O-N 3.43Å; M503-S507 VanDerWaalsContact O-CB 3.3Å; M503-S507 WeakPolarHBondContact O-CB 3.41Å; M503-S507 PolarHBondContact O-N 2.81Å |
| 504 | G | 95.4 | Very high | 94.3 | Very high | 4 Ų | 4 | 42 Ų | 42 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -46.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I500 I501 L502 S507 F508 | I500-G504 PolarHBondContact O-N 3.1Å; I501-G504 PolarHBondContact O-N 3.23Å; L502-G504 VanDerWaalsContact C-N 3.3Å; L502-G504 PolarHBondContact O-N 2.62Å; G504-S507 PolarHBondContact O-N 3.18Å; G504-F508 WeakPolarHBondContact O-CB 3.41Å; G504-F508 PolarHBondContact O-N 3.17Å |
| 505 | I | 96.1 | Very high | 94.2 | Very high | 78 Ų | 78 | 37.5 Ų | 37.5 | 40% | 0.4 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.8 | -46.9 | 174.8 | -68.9 | 167.1 | 0 | 0 | 0 | 110.4 | I501 L502 F508 I509 | I501-I505 HydrophobicContact CG2-CD1 3.91Å; I501-I505 WeakPolarHBondContact O-CG1 3.27Å; I501-I505 PolarHBondContact O-N 3.47Å; L502-I505 PolarHBondContact O-N 2.89Å; I505-F508 WeakPolarHBondContact O-CB 3.4Å; I505-F508 PolarHBondContact O-N 2.82Å; I505-I509 HydrophobicContact CG2-CD1 3.64Å; I505-I509 HydrophobicContact CG2-CG1 4.41Å; I505-I509 VanDerWaalsContact O-CG1 3.27Å; I505-I509 WeakPolarHBondContact O-CG1 3.47Å; I505-I509 PolarHBondContact O-N 3.05Å |
| 506 | T | 95.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -44.7 | 178.4 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | S399 A400 M403 L502 M503 F508 I509 I510 M590 | S399-T506 WeakPolarHBondContact CB-OG1 3.35Å; S399-T506 PolarHBondContact OG-OG1 2.76Å; A400-T506 HydrophobicContact CB-CG2 4.39Å; M403-T506 HydrophobicContact CE-CG2 4.32Å; L502-T506 WeakPolarHBondContact O-CB 3.48Å; L502-T506 PolarHBondContact O-N 3.23Å; L502-T506 PolarHBondContact O-OG1 3.07Å; M503-T506 PolarHBondContact O-N 3.43Å; T506-F508 VanDerWaalsContact C-N 3.31Å; T506-F508 PolarHBondContact O-N 3.26Å; T506-I509 PolarHBondContact O-N 3.08Å; T506-I510 HydrophobicContact CG2-CD1 3.63Å; T506-I510 HydrophobicContact CG2-CG1 4.23Å; T506-I510 WeakPolarHBondContact O-CB 3.41Å; T506-I510 WeakPolarHBondContact O-CD1 3.31Å; T506-I510 WeakPolarHBondContact O-CG1 3.37Å; T506-I510 PolarHBondContact O-N 3.42Å; T506-M590 HydrophobicContact CG2-CE 3.24Å |
| 507 | S | 94.1 | Very high | 94.1 | Very high | 28 Ų | 28 | 34.5 Ų | 34.5 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.9 | -43.7 | 175.5 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | G360 M503 G504 S511 | G360-S507 PolarHBondContact O-OG 2.76Å; M503-S507 VanDerWaalsContact O-CB 3.3Å; M503-S507 WeakPolarHBondContact O-CB 3.41Å; M503-S507 PolarHBondContact O-N 2.81Å; G504-S507 PolarHBondContact O-N 3.18Å; S507-S511 VanDerWaalsContact O-CB 3.31Å; S507-S511 WeakPolarHBondContact O-CB 3.41Å; S507-S511 PolarHBondContact O-N 3Å; S507-S511 PolarHBondContact O-OG 3.35Å |
| 508 | F | 95.8 | Very high | 93.9 | Very high | 55 Ų | 55 | 32.4 Ų | 32.4 | 24% | 0.241 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.4 | -50.9 | 175.6 | 173.2 | -93.7 | 0 | 0 | 0 | 111.8 | L363 L366 G367 L370 G504 I505 T506 S511 F512 | L363-F508 WeakPolarHBondContact O-CD2 3.21Å; L366-F508 HydrophobicContact CB-CD2 4.49Å; L366-F508 HydrophobicContact CB-CE2 4.43Å; L366-F508 HydrophobicContact CD2-CE2 4.31Å; L366-F508 HydrophobicContact CG-CD2 4.47Å; L366-F508 HydrophobicContact CG-CE2 4.03Å; G367-F508 VanDerWaalsContact CA-CE2 3.46Å; L370-F508 HydrophobicContact CD1-CE2 3.8Å; L370-F508 HydrophobicContact CD1-CZ 3.73Å; G504-F508 WeakPolarHBondContact O-CB 3.41Å; G504-F508 PolarHBondContact O-N 3.17Å; I505-F508 WeakPolarHBondContact O-CB 3.4Å; I505-F508 PolarHBondContact O-N 2.82Å; T506-F508 VanDerWaalsContact C-N 3.31Å; T506-F508 PolarHBondContact O-N 3.26Å; F508-S511 PolarHBondContact O-N 3.16Å; F508-F512 VanDerWaalsContact O-CB 3.29Å; F508-F512 WeakPolarHBondContact O-CB 3.03Å; F508-F512 PolarHBondContact O-N 3.45Å |
| 509 | I | 95.9 | Very high | 93.5 | Very high | 10 Ų | 10 | 32.9 Ų | 32.9 | 5% | 0.051 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64 | -44.8 | -178 | -64.8 | 162.2 | 0 | 0 | 0 | 111.2 | A392 L395 C396 I505 T506 S511 F512 T513 | A392-I509 HydrophobicContact CB-CG2 4.2Å; A392-I509 WeakPolarHBondContact O-CG2 3.49Å; L395-I509 HydrophobicContact CB-CD1 4.45Å; L395-I509 HydrophobicContact CD2-CD1 3.86Å; L395-I509 HydrophobicContact CD2-CG1 4.3Å; L395-I509 HydrophobicContact CG-CD1 3.77Å; C396-I509 HydrophobicContact CB-CG2 3.83Å; I505-I509 HydrophobicContact CG2-CD1 3.64Å; I505-I509 HydrophobicContact CG2-CG1 4.41Å; I505-I509 VanDerWaalsContact O-CG1 3.27Å; I505-I509 WeakPolarHBondContact O-CG1 3.47Å; I505-I509 PolarHBondContact O-N 3.05Å; T506-I509 PolarHBondContact O-N 3.08Å; I509-S511 VanDerWaalsContact C-N 3.32Å; I509-S511 PolarHBondContact O-N 3.4Å; I509-F512 WeakPolarHBondContact O-CB 3.15Å; I509-F512 PolarHBondContact O-N 3.28Å; I509-T513 PolarHBondContact O-N 3.1Å |
| 510 | I | 93.9 | Very high | 93.2 | Very high | 12 Ų | 12 | 33 Ų | 33 | 6% | 0.062 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.3 | -52.3 | 175.9 | -71.6 | 167.3 | 0 | 0 | 0 | 109.3 | M326 L329 V330 C396 T506 F512 T513 M590 | M326-I510 HydrophobicContact CE-CB 3.79Å; M326-I510 HydrophobicContact CE-CG1 3.84Å; M326-I510 HydrophobicContact CE-CG2 3.4Å; M326-I510 VanDerWaalsContact CE-CG2 3.4Å; L329-I510 HydrophobicContact CD2-CD1 3.6Å; L329-I510 HydrophobicContact CD2-CG1 4.36Å; V330-I510 HydrophobicContact CG2-CG2 3.93Å; C396-I510 VanDerWaalsContact SG-CG1 3.58Å; T506-I510 HydrophobicContact CG2-CD1 3.63Å; T506-I510 HydrophobicContact CG2-CG1 4.23Å; T506-I510 WeakPolarHBondContact O-CB 3.41Å; T506-I510 WeakPolarHBondContact O-CD1 3.31Å; T506-I510 WeakPolarHBondContact O-CG1 3.37Å; T506-I510 PolarHBondContact O-N 3.42Å; I510-F512 VanDerWaalsContact C-N 3.32Å; I510-F512 PolarHBondContact O-N 3.25Å; I510-T513 PolarHBondContact O-N 3.46Å; I510-T513 VanDerWaalsContact O-N 3.15Å; I510-T513 PolarHBondContact O-OG1 3.1Å; I510-M590 HydrophobicContact CD1-CE 4.39Å |
| 511 | S | 92.7 | Very high | 92.9 | Very high | 14 Ų | 14 | 32.2 Ų | 32.2 | 10% | 0.098 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.2 | -31.5 | -176.6 | -53.9 | 0 | 0 | 0 | 0 | 112.7 | A364 S507 F508 I509 T513 Q514 | A364-S511 WeakPolarHBondContact CA-OG 3.45Å; A364-S511 VanDerWaalsContact CB-OG 3.23Å; A364-S511 WeakPolarHBondContact CB-OG 3.31Å; A364-S511 WeakPolarHBondContact O-CB 3.31Å; S507-S511 VanDerWaalsContact O-CB 3.31Å; S507-S511 WeakPolarHBondContact O-CB 3.41Å; S507-S511 PolarHBondContact O-N 3Å; S507-S511 PolarHBondContact O-OG 3.35Å; F508-S511 PolarHBondContact O-N 3.16Å; I509-S511 VanDerWaalsContact C-N 3.32Å; I509-S511 PolarHBondContact O-N 3.4Å; S511-T513 PolarHBondContact O-N 3.44Å; S511-Q514 WeakPolarHBondContact O-CB 3.16Å; S511-Q514 PolarHBondContact O-N 3.02Å; S511-Q514 VanDerWaalsContact O-N 3.14Å |
| 512 | F | 94.4 | Very high | 92.4 | Very high | 29 Ų | 29 | 29.7 Ų | 29.7 | 13% | 0.127 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.6 | -33.1 | 172.8 | 173.4 | -89.6 | 0 | 0 | 0 | 113.2 | G367 L370 G371 L374 L388 A392 F508 I509 I510 Q514 P516 | G367-F512 VanDerWaalsContact O-CA 3.3Å; G367-F512 WeakPolarHBondContact O-CA 3.44Å; L370-F512 HydrophobicContact CB-CD2 4.31Å; G371-F512 VanDerWaalsContact CA-CD2 3.47Å; G371-F512 VanDerWaalsContact CA-CE2 3.48Å; L374-F512 HydrophobicContact CB-CE2 4.49Å; L374-F512 HydrophobicContact CD2-CE2 4.19Å; L374-F512 HydrophobicContact CD2-CZ 3.57Å; L388-F512 HydrophobicContact CD1-CE1 3.9Å; L388-F512 HydrophobicContact CD1-CZ 4.09Å; L388-F512 HydrophobicContact CD2-CE1 4.03Å; L388-F512 HydrophobicContact CD2-CZ 4.08Å; L388-F512 HydrophobicContact CG-CE1 3.97Å; L388-F512 HydrophobicContact CG-CZ 4.37Å; A392-F512 HydrophobicContact CB-CD1 4.21Å; A392-F512 HydrophobicContact CB-CE1 4.42Å; F508-F512 VanDerWaalsContact O-CB 3.29Å; F508-F512 WeakPolarHBondContact O-CB 3.03Å; F508-F512 PolarHBondContact O-N 3.45Å; I509-F512 WeakPolarHBondContact O-CB 3.15Å; I509-F512 PolarHBondContact O-N 3.28Å; I510-F512 VanDerWaalsContact C-N 3.32Å; I510-F512 PolarHBondContact O-N 3.25Å; F512-Q514 VanDerWaalsContact C-N 3.31Å; F512-Q514 PolarHBondContact O-N 2.85Å; F512-P516 WeakPolarHBondContact O-CD 3.48Å |
| 513 | T | 94.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -13 | 177.7 | 67.1 | 0 | 0 | 0 | 0 | 114.6 | A392 I393 I509 I510 S511 S517 | A392-T513 HydrophobicContact CB-CG2 3.4Å; A392-T513 VanDerWaalsContact CB-CG2 3.4Å; I393-T513 HydrophobicContact CD1-CG2 4.09Å; I393-T513 HydrophobicContact CG1-CG2 4.32Å; I509-T513 PolarHBondContact O-N 3.1Å; I510-T513 PolarHBondContact O-N 3.46Å; I510-T513 VanDerWaalsContact O-N 3.15Å; I510-T513 PolarHBondContact O-OG1 3.1Å; S511-T513 PolarHBondContact O-N 3.44Å; T513-S517 VanDerWaalsContact O-CB 3.23Å; T513-S517 WeakPolarHBondContact O-CB 3.45Å; T513-S517 PolarHBondContact O-N 3.48Å; T513-S517 VanDerWaalsContact O-N 3.16Å; T513-S517 PolarHBondContact O-OG 3.21Å |
| 514 | Q | 91 | Very high | 91.5 | Very high | 109 Ų | 109 | 33.8 Ų | 33.8 | 51% | 0.509 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.2 | -54 | -175.6 | -118.3 | -144.9 | 15 | 0 | 0 | 112.3 | S511 F512 S517 Y518 | S511-Q514 WeakPolarHBondContact O-CB 3.16Å; S511-Q514 PolarHBondContact O-N 3.02Å; S511-Q514 VanDerWaalsContact O-N 3.14Å; F512-Q514 VanDerWaalsContact C-N 3.31Å; F512-Q514 PolarHBondContact O-N 2.85Å; Q514-S517 PolarHBondContact O-N 3.27Å; Q514-Y518 PolarHBondContact O-N 2.69Å |
| 515 | T | 88.1 | Confident | 91 | Very high | 35 Ų | 35 | 34.3 Ų | 34.3 | 22% | 0.215 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.2 | -48.7 | -177 | -48.4 | 0 | 0 | 0 | 0 | 112.8 | V368 S517 Y518 M519 | V368-T515 WeakPolarHBondContact CG1-OG1 3.24Å; V368-T515 PolarHBondContact O-OG1 2.61Å; T515-S517 VanDerWaalsContact C-N 3.3Å; T515-S517 PolarHBondContact O-N 2.88Å; T515-Y518 PolarHBondContact O-N 2.83Å; T515-M519 WeakPolarHBondContact O-CG 3.23Å; T515-M519 PolarHBondContact O-N 3.49Å |
| 516 | P | 92 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.7 | -40.7 | 175 | -23.7 | 33.4 | 0 | 0 | 0 | 113.1 | M375 L388 F512 M519 M520 | M375-P516 HydrophobicContact CG-CB 3.91Å; M375-P516 HydrophobicContact CG-CG 3.74Å; M375-P516 HydrophobicContact SD-CB 3.83Å; M375-P516 HydrophobicContact SD-CG 4.25Å; L388-P516 HydrophobicContact CD2-CB 4.42Å; L388-P516 HydrophobicContact CD2-CG 4.04Å; F512-P516 WeakPolarHBondContact O-CD 3.48Å; P516-M519 PolarHBondContact O-N 3.32Å; P516-M520 WeakPolarHBondContact O-CG 3.19Å; P516-M520 PolarHBondContact O-N 3.36Å |
| 517 | S | 92.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.007 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.2 | -41.4 | -179.5 | -58.3 | 0 | 0 | 0 | 0 | 112 | C389 T513 Q514 T515 M519 M520 V521 F601 | C389-S517 PolarHBondContact SG-OG 3.09Å; T513-S517 VanDerWaalsContact O-CB 3.23Å; T513-S517 WeakPolarHBondContact O-CB 3.45Å; T513-S517 PolarHBondContact O-N 3.48Å; T513-S517 VanDerWaalsContact O-N 3.16Å; T513-S517 PolarHBondContact O-OG 3.21Å; Q514-S517 PolarHBondContact O-N 3.27Å; T515-S517 VanDerWaalsContact C-N 3.3Å; T515-S517 PolarHBondContact O-N 2.88Å; S517-M519 VanDerWaalsContact C-N 3.35Å; S517-M519 PolarHBondContact O-N 3.27Å; S517-M520 WeakPolarHBondContact O-CB 3.46Å; S517-M520 PolarHBondContact O-N 3.44Å; S517-V521 PolarHBondContact O-N 3.34Å; S517-F601 VanDerWaalsContact OG-CZ 3.27Å; S517-F601 WeakPolarHBondContact OG-CZ 3.15Å |
| 518 | Y | 88.1 | Confident | 88.4 | Confident | 77 Ų | 77 | 45.1 Ų | 45.1 | 30% | 0.302 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62 | -41.9 | 173.7 | -172.2 | -107.2 | 0 | 0 | 0 | 112 | Q514 T515 M520 V521 L522 V534 | Q514-Y518 PolarHBondContact O-N 2.69Å; T515-Y518 PolarHBondContact O-N 2.83Å; Y518-M520 VanDerWaalsContact C-N 3.29Å; Y518-M520 PolarHBondContact O-N 3.03Å; Y518-V521 WeakPolarHBondContact O-CB 3.29Å; Y518-V521 PolarHBondContact O-N 3.32Å; Y518-L522 HydrophobicContact CD1-CD1 4.05Å; Y518-L522 HydrophobicContact CE1-CD1 3.65Å; Y518-L522 HydrophobicContact CE1-CG 4.2Å; Y518-L522 PolarHBondContact O-N 2.78Å; Y518-L522 VanDerWaalsContact O-N 3.16Å; Y518-V534 HydrophobicContact CE2-CG1 4.33Å; Y518-V534 HydrophobicContact CE2-CG2 4.26Å |
| 519 | M | 86 | Confident | 87.3 | Confident | 62 Ų | 62 | 44 Ų | 44 | 31% | 0.305 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65.3 | -30.2 | 175.4 | -70.7 | -62.5 | -77.1 | 0 | 0 | 113.1 | M375 T515 P516 S517 L522 R523 | M375-M519 HydrophobicContact CE-CB 3.91Å; M375-M519 HydrophobicContact CE-CG 4.42Å; T515-M519 WeakPolarHBondContact O-CG 3.23Å; T515-M519 PolarHBondContact O-N 3.49Å; P516-M519 PolarHBondContact O-N 3.32Å; S517-M519 VanDerWaalsContact C-N 3.35Å; S517-M519 PolarHBondContact O-N 3.27Å; M519-L522 HydrophobicContact SD-CD1 4.26Å; M519-R523 WeakPolarHBondContact O-CB 3.27Å; M519-R523 VanDerWaalsContact O-CG 3.28Å; M519-R523 WeakPolarHBondContact O-CG 3.32Å; M519-R523 PolarHBondContact O-N 2.9Å; M519-R523 VanDerWaalsContact O-N 3.08Å |
| 520 | M | 90.5 | Very high | 86.3 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.2 | -41.8 | 172.3 | -71.9 | 174.4 | 61.9 | 0 | 0 | 111.7 | V319 V382 A385 P516 S517 Y518 R523 T524 T604 | V319-M520 HydrophobicContact CG1-CB 4.25Å; V319-M520 HydrophobicContact CG2-CE 3.68Å; V382-M520 HydrophobicContact CG1-CE 4.35Å; V382-M520 HydrophobicContact CG1-CG 4.29Å; A385-M520 HydrophobicContact CB-CG 3.66Å; A385-M520 HydrophobicContact CB-SD 3.88Å; P516-M520 WeakPolarHBondContact O-CG 3.19Å; P516-M520 PolarHBondContact O-N 3.36Å; S517-M520 WeakPolarHBondContact O-CB 3.46Å; S517-M520 PolarHBondContact O-N 3.44Å; Y518-M520 VanDerWaalsContact C-N 3.29Å; Y518-M520 PolarHBondContact O-N 3.03Å; M520-R523 PolarHBondContact O-N 2.86Å; M520-T524 WeakPolarHBondContact O-CB 3.45Å; M520-T524 WeakPolarHBondContact O-CG2 3.47Å; M520-T524 PolarHBondContact O-N 3.44Å; M520-T524 VanDerWaalsContact O-N 3.08Å; M520-T524 PolarHBondContact O-OG1 2.85Å; M520-T604 HydrophobicContact CE-CG2 3.74Å |
| 521 | V | 88.6 | Confident | 85.2 | Confident | 1 Ų | 1 | 51.8 Ų | 51.8 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.6 | -52.7 | 175.1 | 171 | 0 | 0 | 0 | 0 | 110.2 | Y316 V319 V320 L323 S517 Y518 R523 T524 V525 | Y316-V521 HydrophobicContact CD2-CG1 3.87Å; Y316-V521 HydrophobicContact CE2-CG1 3.63Å; V319-V521 HydrophobicContact CB-CG2 4.38Å; V319-V521 HydrophobicContact CG1-CG2 3.69Å; V320-V521 HydrophobicContact CG2-CG2 4.16Å; L323-V521 HydrophobicContact CD1-CG2 4.18Å; S517-V521 PolarHBondContact O-N 3.34Å; Y518-V521 WeakPolarHBondContact O-CB 3.29Å; Y518-V521 PolarHBondContact O-N 3.32Å; V521-R523 VanDerWaalsContact C-N 3.28Å; V521-R523 PolarHBondContact O-N 3.37Å; V521-T524 PolarHBondContact O-N 3.45Å; V521-T524 PolarHBondContact O-OG1 3.49Å; V521-T524 VanDerWaalsContact O-OG1 3.08Å; V521-V525 WeakPolarHBondContact O-CG2 3.28Å; V521-V525 PolarHBondContact O-N 2.95Å |
| 522 | L | 83.9 | Confident | 84.4 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 22% | 0.215 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.6 | -33.3 | -178.6 | -66.3 | -179.5 | 0 | 0 | 0 | 113.7 | Y518 M519 K530 V534 | Y518-L522 HydrophobicContact CD1-CD1 4.05Å; Y518-L522 HydrophobicContact CE1-CD1 3.65Å; Y518-L522 HydrophobicContact CE1-CG 4.2Å; Y518-L522 PolarHBondContact O-N 2.78Å; Y518-L522 VanDerWaalsContact O-N 3.16Å; M519-L522 HydrophobicContact SD-CD1 4.26Å; L522-K530 WeakPolarHBondContact O-CE 3.49Å; L522-V534 HydrophobicContact CD2-CG2 3.63Å |
| 523 | R | 86.7 | Confident | 83.7 | Confident | 109 Ų | 109 | 51.9 Ų | 51.9 | 41% | 0.411 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -87 | -10.8 | -177.8 | -71.5 | 174.4 | 175.7 | 168.8 | -7.4 | 114.2 | M380 V382 M519 M520 V521 | M380-R523 PolarHBondContact O-NH1 3.26Å; V382-R523 HydrophobicContact CG2-CB 3.53Å; V382-R523 HydrophobicContact CG2-CG 4.46Å; M519-R523 WeakPolarHBondContact O-CB 3.27Å; M519-R523 VanDerWaalsContact O-CG 3.28Å; M519-R523 WeakPolarHBondContact O-CG 3.32Å; M519-R523 PolarHBondContact O-N 2.9Å; M519-R523 VanDerWaalsContact O-N 3.08Å; M520-R523 PolarHBondContact O-N 2.86Å; V521-R523 VanDerWaalsContact C-N 3.28Å; V521-R523 PolarHBondContact O-N 3.37Å |
| 524 | T | 86.6 | Confident | 83.1 | Confident | 38 Ų | 38 | 52.8 Ų | 52.8 | 23% | 0.233 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -100.1 | -10.2 | -178.8 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | I315 V382 M520 V521 | I315-T524 HydrophobicContact CG2-CG2 3.55Å; V382-T524 HydrophobicContact CG1-CG2 3.79Å; V382-T524 HydrophobicContact CG2-CG2 4.48Å; M520-T524 WeakPolarHBondContact O-CB 3.45Å; M520-T524 WeakPolarHBondContact O-CG2 3.47Å; M520-T524 PolarHBondContact O-N 3.44Å; M520-T524 VanDerWaalsContact O-N 3.08Å; M520-T524 PolarHBondContact O-OG1 2.85Å; V521-T524 PolarHBondContact O-N 3.45Å; V521-T524 PolarHBondContact O-OG1 3.49Å; V521-T524 VanDerWaalsContact O-OG1 3.08Å |
| 525 | V | 85.7 | Confident | 82.5 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -106.1 | 139.8 | 178.9 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | Y316 V521 D529 A533 | Y316-V525 HydrophobicContact CD2-CG2 3.67Å; Y316-V525 HydrophobicContact CE2-CG2 4.3Å; Y316-V525 HydrophobicContact CG-CG2 4.27Å; V521-V525 WeakPolarHBondContact O-CG2 3.28Å; V521-V525 PolarHBondContact O-N 2.95Å; V525-D529 HydrophobicContact CG1-CB 3.53Å; V525-A533 HydrophobicContact CB-CB 4.36Å; V525-A533 HydrophobicContact CG1-CB 3.89Å; V525-A533 HydrophobicContact CG2-CB 3.87Å |
| 526 | P | 80.3 | Confident | 82.3 | Confident | 64 Ų | 64 | 48 Ų | 48 | 42% | 0.416 | 26% | 0.26 | S | S | . | . | trans | -53.5 | 148.3 | 172.6 | -24.7 | 34.1 | 0 | 0 | 0 | 111.9 | E528 D529 K530 | P526-E528 HydrophobicContact CB-CG 4.41Å; P526-E528 PolarHBondContact O-N 3.24Å; P526-E528 VanDerWaalsContact O-N 3.13Å; P526-D529 PolarHBondContact O-N 3.22Å; P526-K530 PolarHBondContact O-N 3.01Å | ||
| 527 | P | 75.6 | Confident | 82.1 | Confident | 99 Ų | 99 | 48.1 Ų | 48.1 | 64% | 0.643 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -55.7 | -34.7 | -176.5 | 22.7 | -32.7 | 0 | 0 | 0 | 113.5 | D529 | P527-D529 VanDerWaalsContact C-N 3.31Å; P527-D529 PolarHBondContact O-N 2.89Å |
| 528 | E | 73 | Confident | 81.7 | Confident | 171 Ų | 171 | 53.1 Ų | 53.1 | 80% | 0.799 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -62.9 | -33.7 | 178.1 | -16.9 | 176.8 | -143 | 0 | 0 | 112.7 | P526 | P526-E528 HydrophobicContact CB-CG 4.41Å; P526-E528 PolarHBondContact O-N 3.24Å; P526-E528 VanDerWaalsContact O-N 3.13Å |
| 529 | D | 73.3 | Confident | 81.6 | Confident | 31 Ų | 31 | 52.3 Ų | 52.3 | 17% | 0.166 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -102.5 | -1.4 | -171.7 | -77.7 | -10.6 | 0 | 0 | 0 | 112.7 | R309 V525 P526 P527 F532 A533 | R309-D529 IonicContact CZ-OD2 3.73Å; R309-D529 IonicContact NE-OD2 3.93Å; R309-D529 IonicContact NH2-OD1 3.08Å; R309-D529 PolarHBondContact NH2-OD1 3.45Å; R309-D529 IonicContact NH2-OD2 3.65Å; R309-D529 PolarHBondContact NH2-OD2 2.81Å; V525-D529 HydrophobicContact CG1-CB 3.53Å; P526-D529 PolarHBondContact O-N 3.22Å; P527-D529 VanDerWaalsContact C-N 3.31Å; P527-D529 PolarHBondContact O-N 2.89Å; D529-F532 PolarHBondContact O-N 2.83Å; D529-A533 WeakPolarHBondContact O-CB 3Å; D529-A533 PolarHBondContact O-N 3.4Å |
| 530 | K | 75.8 | Confident | 81.7 | Confident | 80 Ų | 80 | 50.7 Ų | 50.7 | 35% | 0.348 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58.9 | -52.2 | -173.1 | -78.8 | 175.1 | -176.1 | 167.2 | 0 | 113.4 | L522 P526 F532 A533 V534 | L522-K530 WeakPolarHBondContact O-CE 3.49Å; P526-K530 PolarHBondContact O-N 3.01Å; K530-F532 VanDerWaalsContact C-N 3.27Å; K530-F532 PolarHBondContact O-N 2.79Å; K530-A533 PolarHBondContact O-N 2.78Å; K530-V534 WeakPolarHBondContact O-CG2 3.19Å; K530-V534 PolarHBondContact O-N 3.45Å |
| 531 | S | 70.9 | Confident | 81.7 | Confident | 107 Ų | 107 | 51.1 Ų | 51.1 | 75% | 0.748 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.4 | -38.8 | -178 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | G535 | S531-G535 PolarHBondContact O-N 2.79Å |
| 532 | F | 75.9 | Confident | 81.8 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 19% | 0.193 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.6 | -46.3 | 175.5 | -177.9 | -94.6 | 0 | 0 | 0 | 111.9 | F303 I306 A307 T310 D529 K530 V534 G535 V536 | F303-F532 AromaticContact CD2-CE2 3.72Å; F303-F532 HydrophobicContact CD2-CE2 3.72Å; F303-F532 HydrophobicContact CD2-CZ 4.29Å; F303-F532 AromaticContact CE2-CE2 3.69Å; F303-F532 HydrophobicContact CE2-CE2 3.69Å; F303-F532 HydrophobicContact CE2-CZ 4.17Å; I306-F532 VanDerWaalsContact C-CE1 3.49Å; I306-F532 HydrophobicContact CB-CE1 4.04Å; I306-F532 HydrophobicContact CB-CE2 4.18Å; I306-F532 HydrophobicContact CB-CZ 3.74Å; I306-F532 HydrophobicContact CG2-CD1 3.69Å; I306-F532 HydrophobicContact CG2-CD2 4.16Å; I306-F532 HydrophobicContact CG2-CE1 3.43Å; I306-F532 VanDerWaalsContact CG2-CE1 3.43Å; I306-F532 HydrophobicContact CG2-CE2 3.92Å; I306-F532 HydrophobicContact CG2-CG 4.05Å; I306-F532 HydrophobicContact CG2-CZ 3.56Å; A307-F532 HydrophobicContact CB-CE1 4.37Å; A307-F532 HydrophobicContact CB-CZ 3.94Å; A307-F532 VanDerWaalsContact N-CZ 3.28Å; T310-F532 HydrophobicContact CG2-CD1 4.49Å; T310-F532 WeakPolarHBondContact OG1-CD1 3.38Å; T310-F532 WeakPolarHBondContact OG1-CE1 3.26Å; D529-F532 PolarHBondContact O-N 2.83Å; K530-F532 VanDerWaalsContact C-N 3.27Å; K530-F532 PolarHBondContact O-N 2.79Å; F532-V534 PolarHBondContact O-N 2.92Å; F532-G535 WeakPolarHBondContact O-CA 3.46Å; F532-G535 PolarHBondContact O-N 3.42Å; F532-G535 VanDerWaalsContact O-N 3.11Å; F532-V536 HydrophobicContact CD1-CG2 4.09Å; F532-V536 HydrophobicContact CE1-CG2 3.55Å; F532-V536 HydrophobicContact CE2-CG2 4.48Å; F532-V536 HydrophobicContact CZ-CG2 3.77Å; F532-V536 WeakPolarHBondContact O-CG2 3.28Å; F532-V536 PolarHBondContact O-N 3.18Å |
| 533 | A | 80.1 | Confident | 82.2 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | T310 Y316 V525 D529 K530 G535 V536 Q537 | T310-A533 HydrophobicContact CG2-CB 3.81Å; Y316-A533 HydrophobicContact CD2-CB 4.43Å; Y316-A533 HydrophobicContact CE2-CB 3.73Å; Y316-A533 PolarHBondContact OH-O 3.4Å; V525-A533 HydrophobicContact CB-CB 4.36Å; V525-A533 HydrophobicContact CG1-CB 3.89Å; V525-A533 HydrophobicContact CG2-CB 3.87Å; D529-A533 WeakPolarHBondContact O-CB 3Å; D529-A533 PolarHBondContact O-N 3.4Å; K530-A533 PolarHBondContact O-N 2.78Å; A533-G535 VanDerWaalsContact C-N 3.3Å; A533-G535 PolarHBondContact O-N 3.46Å; A533-V536 PolarHBondContact O-N 3.19Å; A533-Q537 WeakPolarHBondContact O-CB 3.41Å; A533-Q537 PolarHBondContact O-N 3.38Å |
| 534 | V | 80.6 | Confident | 82.5 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 13% | 0.127 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -60 | -41.9 | 173.6 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | Y518 L522 K530 F532 Q537 Y538 | Y518-V534 HydrophobicContact CE2-CG1 4.33Å; Y518-V534 HydrophobicContact CE2-CG2 4.26Å; L522-V534 HydrophobicContact CD2-CG2 3.63Å; K530-V534 WeakPolarHBondContact O-CG2 3.19Å; K530-V534 PolarHBondContact O-N 3.45Å; F532-V534 PolarHBondContact O-N 2.92Å; V534-Q537 WeakPolarHBondContact O-CB 3.05Å; V534-Q537 PolarHBondContact O-N 3.23Å; V534-Y538 HydrophobicContact CG1-CD2 3.75Å; V534-Y538 HydrophobicContact CG1-CE2 3.59Å; V534-Y538 VanDerWaalsContact O-CD2 3.27Å; V534-Y538 WeakPolarHBondContact O-CD2 3.25Å; V534-Y538 PolarHBondContact O-N 2.99Å |
| 535 | G | 79.1 | Confident | 82.9 | Confident | 42 Ų | 42 | 50.9 Ų | 50.9 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S531 F532 A533 Q537 Y538 M539 | S531-G535 PolarHBondContact O-N 2.79Å; F532-G535 WeakPolarHBondContact O-CA 3.46Å; F532-G535 PolarHBondContact O-N 3.42Å; F532-G535 VanDerWaalsContact O-N 3.11Å; A533-G535 VanDerWaalsContact C-N 3.3Å; A533-G535 PolarHBondContact O-N 3.46Å; G535-Q537 PolarHBondContact O-N 2.84Å; G535-Y538 PolarHBondContact O-N 3.15Å; G535-M539 PolarHBondContact O-N 2.98Å |
| 536 | V | 83.2 | Confident | 83.3 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 176.1 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | A307 L311 F532 A533 M539 L540 | A307-V536 HydrophobicContact CB-CG2 4.35Å; L311-V536 HydrophobicContact CD1-CG1 4.49Å; L311-V536 HydrophobicContact CD2-CG1 3.98Å; L311-V536 HydrophobicContact CG-CG1 4.21Å; F532-V536 HydrophobicContact CD1-CG2 4.09Å; F532-V536 HydrophobicContact CE1-CG2 3.55Å; F532-V536 HydrophobicContact CE2-CG2 4.48Å; F532-V536 HydrophobicContact CZ-CG2 3.77Å; F532-V536 WeakPolarHBondContact O-CG2 3.28Å; F532-V536 PolarHBondContact O-N 3.18Å; A533-V536 PolarHBondContact O-N 3.19Å; V536-M539 WeakPolarHBondContact O-CB 3.4Å; V536-M539 PolarHBondContact O-N 3.46Å; V536-L540 HydrophobicContact CG1-CD1 4.26Å; V536-L540 WeakPolarHBondContact O-CG 3.46Å; V536-L540 PolarHBondContact O-N 3.44Å |
| 537 | Q | 87.3 | Confident | 83.9 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.019 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58 | -49.8 | 175.8 | 177.3 | -167.3 | -35 | 0 | 0 | 111.7 | Y316 V320 A533 V534 G535 M539 L540 F541 | Y316-Q537 PolarHBondContact OH-N 2.85Å; V320-Q537 HydrophobicContact CG1-CB 4.44Å; V320-Q537 HydrophobicContact CG1-CG 4.2Å; V320-Q537 HydrophobicContact CG2-CB 4.21Å; V320-Q537 HydrophobicContact CG2-CG 4.1Å; A533-Q537 WeakPolarHBondContact O-CB 3.41Å; A533-Q537 PolarHBondContact O-N 3.38Å; V534-Q537 WeakPolarHBondContact O-CB 3.05Å; V534-Q537 PolarHBondContact O-N 3.23Å; G535-Q537 PolarHBondContact O-N 2.84Å; Q537-M539 VanDerWaalsContact C-N 3.34Å; Q537-M539 PolarHBondContact O-N 3.22Å; Q537-L540 PolarHBondContact O-N 3.41Å; Q537-F541 HydrophobicContact CG-CD1 4.4Å; Q537-F541 HydrophobicContact CG-CE1 3.8Å; Q537-F541 HydrophobicContact CG-CE2 4.31Å; Q537-F541 HydrophobicContact CG-CZ 3.75Å; Q537-F541 WeakPolarHBondContact O-CD1 3.09Å; Q537-F541 PolarHBondContact O-N 3.18Å |
| 538 | Y | 85.1 | Confident | 84.8 | Confident | 106 Ų | 106 | 50.1 Ų | 50.1 | 42% | 0.416 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.5 | -36.4 | 178.8 | -81.7 | -70.4 | 0 | 0 | 0 | 112.6 | V534 G535 L540 F541 R542 | V534-Y538 HydrophobicContact CG1-CD2 3.75Å; V534-Y538 HydrophobicContact CG1-CE2 3.59Å; V534-Y538 VanDerWaalsContact O-CD2 3.27Å; V534-Y538 WeakPolarHBondContact O-CD2 3.25Å; V534-Y538 PolarHBondContact O-N 2.99Å; G535-Y538 PolarHBondContact O-N 3.15Å; Y538-L540 VanDerWaalsContact C-N 3.32Å; Y538-L540 PolarHBondContact O-N 3.47Å; Y538-F541 HydrophobicContact CD1-CD2 4.09Å; Y538-F541 HydrophobicContact CE1-CD2 4.4Å; Y538-F541 PolarHBondContact O-N 3.21Å; Y538-R542 WeakPolarHBondContact O-CG 3.36Å; Y538-R542 PolarHBondContact O-N 3.15Å; Y538-R542 VanDerWaalsContact O-N 3.08Å |
| 539 | M | 84.8 | Confident | 85.9 | Confident | 60 Ų | 60 | 42 Ų | 42 | 30% | 0.296 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.9 | -45 | 172.3 | -175.8 | -174.6 | 72.4 | 0 | 0 | 111 | F303 G535 V536 Q537 R542 V543 | F303-M539 HydrophobicContact CE1-SD 4.25Å; F303-M539 HydrophobicContact CZ-SD 4.16Å; G535-M539 PolarHBondContact O-N 2.98Å; V536-M539 WeakPolarHBondContact O-CB 3.4Å; V536-M539 PolarHBondContact O-N 3.46Å; Q537-M539 VanDerWaalsContact C-N 3.34Å; Q537-M539 PolarHBondContact O-N 3.22Å; M539-R542 PolarHBondContact O-N 2.79Å; M539-V543 WeakPolarHBondContact O-CG2 3.17Å; M539-V543 PolarHBondContact O-N 2.82Å; M539-V543 VanDerWaalsContact O-N 3.09Å |
| 540 | L | 89.6 | Confident | 87 | Confident | 27 Ų | 27 | 40.6 Ų | 40.6 | 14% | 0.141 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.5 | -37.2 | 176.3 | -70.7 | 174.5 | 0 | 0 | 0 | 112.6 | L311 V320 V324 V536 Q537 Y538 R542 L544 | L311-L540 HydrophobicContact CD2-CD1 3.85Å; V320-L540 HydrophobicContact CG1-CB 4.34Å; V320-L540 HydrophobicContact CG1-CD1 3.61Å; V324-L540 HydrophobicContact CG2-CB 4.19Å; V536-L540 HydrophobicContact CG1-CD1 4.26Å; V536-L540 WeakPolarHBondContact O-CG 3.46Å; V536-L540 PolarHBondContact O-N 3.44Å; Q537-L540 PolarHBondContact O-N 3.41Å; Y538-L540 VanDerWaalsContact C-N 3.32Å; Y538-L540 PolarHBondContact O-N 3.47Å; L540-R542 VanDerWaalsContact C-N 3.31Å; L540-R542 PolarHBondContact O-N 3.03Å; L540-L544 HydrophobicContact CD2-CD1 3.82Å; L540-L544 HydrophobicContact CD2-CG 4.37Å; L540-L544 VanDerWaalsContact O-CB 3.28Å; L540-L544 WeakPolarHBondContact O-CB 3.42Å; L540-L544 PolarHBondContact O-N 2.94Å |
| 541 | F | 90.8 | Very high | 88 | Confident | 12 Ų | 12 | 38.2 Ų | 38.2 | 5% | 0.053 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 173.3 | -72 | 0 | 0 | 0 | 0 | 111.5 | L323 V324 A327 Q537 Y538 A545 F546 | L323-F541 HydrophobicContact CB-CE1 3.51Å; L323-F541 HydrophobicContact CB-CZ 3.56Å; L323-F541 HydrophobicContact CD1-CZ 4.19Å; L323-F541 HydrophobicContact CG-CZ 4.31Å; V324-F541 HydrophobicContact CG2-CD1 3.81Å; V324-F541 HydrophobicContact CG2-CE1 4.18Å; A327-F541 HydrophobicContact CB-CD1 4.46Å; A327-F541 HydrophobicContact CB-CG 4.41Å; Q537-F541 HydrophobicContact CG-CD1 4.4Å; Q537-F541 HydrophobicContact CG-CE1 3.8Å; Q537-F541 HydrophobicContact CG-CE2 4.31Å; Q537-F541 HydrophobicContact CG-CZ 3.75Å; Q537-F541 WeakPolarHBondContact O-CD1 3.09Å; Q537-F541 PolarHBondContact O-N 3.18Å; Y538-F541 HydrophobicContact CD1-CD2 4.09Å; Y538-F541 HydrophobicContact CE1-CD2 4.4Å; Y538-F541 PolarHBondContact O-N 3.21Å; F541-A545 CarbonylContact O-C 3.14Å; F541-A545 WeakPolarHBondContact O-CA 3.41Å; F541-A545 WeakPolarHBondContact O-CB 3.43Å; F541-A545 PolarHBondContact O-N 2.99Å; F541-F546 HydrophobicContact CB-CD2 4.1Å; F541-F546 HydrophobicContact CB-CE2 3.75Å; F541-F546 HydrophobicContact CB-CZ 4.4Å; F541-F546 HydrophobicContact CD2-CE2 4.39Å; F541-F546 PolarHBondContact O-N 3.39Å |
| 542 | R | 90.1 | Very high | 89.3 | Confident | 30 Ų | 30 | 37 Ų | 37 | 11% | 0.113 | 20% | 0.197 | C | C | . | . | I | π-helix | trans | -65.5 | -50 | -179.4 | -67.5 | -179 | -178.4 | -178.7 | -4.7 | 112 | E69 N72 T73 Y538 M539 L540 F546 L547 | E69-R542 IonicContact OE2-NE 3.53Å; N72-R542 PolarHBondContact ND2-NH2 3.08Å; N72-R542 VanDerWaalsContact ND2-NH2 3.16Å; N72-R542 PolarHBondContact O-NH1 3.44Å; N72-R542 PolarHBondContact OD1-NH1 2.97Å; N72-R542 PolarHBondContact OD1-NH2 2.85Å; T73-R542 WeakPolarHBondContact OG1-CB 3.48Å; T73-R542 WeakPolarHBondContact OG1-CD 3.47Å; Y538-R542 WeakPolarHBondContact O-CG 3.36Å; Y538-R542 PolarHBondContact O-N 3.15Å; Y538-R542 VanDerWaalsContact O-N 3.08Å; M539-R542 PolarHBondContact O-N 2.79Å; L540-R542 VanDerWaalsContact C-N 3.31Å; L540-R542 PolarHBondContact O-N 3.03Å; R542-F546 HydrophobicContact CG-CD2 4.25Å; R542-L547 WeakPolarHBondContact O-CB 3.32Å; R542-L547 PolarHBondContact O-N 3.28Å |
| 543 | V | 91 | Very high | 90.4 | Very high | 72 Ų | 72 | 35 Ų | 35 | 44% | 0.436 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -74.1 | -41 | -173.6 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | T73 M539 P548 | T73-V543 HydrophobicContact CG2-CG2 4.11Å; M539-V543 WeakPolarHBondContact O-CG2 3.17Å; M539-V543 PolarHBondContact O-N 2.82Å; M539-V543 VanDerWaalsContact O-N 3.09Å; V543-P548 WeakPolarHBondContact O-CD 3.13Å |
| 544 | L | 94.1 | Very high | 91.2 | Very high | 81 Ų | 81 | 34.9 Ų | 34.9 | 42% | 0.424 | 19% | 0.187 | S | C | . | . | I | π-helix | trans | -101.2 | -15.3 | -171.9 | -57.7 | -178.2 | 0 | 0 | 0 | 114.3 | V324 L540 P548 | V324-L544 HydrophobicContact CG1-CB 3.6Å; V324-L544 HydrophobicContact CG1-CD1 4.46Å; L540-L544 HydrophobicContact CD2-CD1 3.82Å; L540-L544 HydrophobicContact CD2-CG 4.37Å; L540-L544 VanDerWaalsContact O-CB 3.28Å; L540-L544 WeakPolarHBondContact O-CB 3.42Å; L540-L544 PolarHBondContact O-N 2.94Å; L544-P548 WeakPolarHBondContact O-CG 3.35Å |
| 545 | A | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -122 | -60.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V324 A327 A328 F541 G549 | V324-A545 HydrophobicContact CG1-CB 4.19Å; V324-A545 WeakPolarHBondContact O-CB 3.35Å; A327-A545 HydrophobicContact CB-CB 3.7Å; A328-A545 HydrophobicContact CB-CB 3.8Å; F541-A545 CarbonylContact O-C 3.14Å; F541-A545 WeakPolarHBondContact O-CA 3.41Å; F541-A545 WeakPolarHBondContact O-CB 3.43Å; F541-A545 PolarHBondContact O-N 2.99Å; A545-G549 VanDerWaalsContact O-CA 3.25Å; A545-G549 WeakPolarHBondContact O-CA 3.35Å; A545-G549 PolarHBondContact O-N 3.09Å |
| 546 | F | 93.4 | Very high | 92.8 | Very high | 60 Ų | 60 | 35.8 Ų | 35.8 | 26% | 0.263 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -72.3 | -35.6 | -172.1 | -60.1 | -44.9 | 0 | 0 | 0 | 113.1 | E69 A327 F541 R542 P550 | E69-F546 HydrophobicContact CG-CB 3.8Å; A327-F546 HydrophobicContact CB-CE1 4.04Å; A327-F546 HydrophobicContact CB-CZ 4.2Å; F541-F546 HydrophobicContact CB-CD2 4.1Å; F541-F546 HydrophobicContact CB-CE2 3.75Å; F541-F546 HydrophobicContact CB-CZ 4.4Å; F541-F546 HydrophobicContact CD2-CE2 4.39Å; F541-F546 PolarHBondContact O-N 3.39Å; R542-F546 HydrophobicContact CG-CD2 4.25Å; F546-P550 WeakPolarHBondContact O-CD 3.39Å |
| 547 | L | 93.1 | Very high | 93.5 | Very high | 66 Ų | 66 | 35.8 Ų | 35.8 | 35% | 0.346 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -55.6 | 175.5 | -167.4 | 158.5 | 0 | 0 | 0 | 112.5 | V70 R542 V551 | V70-L547 HydrophobicContact CG2-CD1 3.85Å; R542-L547 WeakPolarHBondContact O-CB 3.32Å; R542-L547 PolarHBondContact O-N 3.28Å; L547-V551 WeakPolarHBondContact O-CG2 3.45Å |
| 548 | P | 95.3 | Very high | 93.9 | Very high | 36 Ų | 36 | 36.4 Ų | 36.4 | 23% | 0.234 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -79.6 | -27 | -177.6 | 29.7 | -36.6 | 0 | 0 | 0 | 114.2 | V543 L544 V551 L552 | V543-P548 WeakPolarHBondContact O-CD 3.13Å; L544-P548 WeakPolarHBondContact O-CG 3.35Å; P548-V551 PolarHBondContact O-N 3.05Å; P548-L552 HydrophobicContact CB-CD1 4.39Å; P548-L552 WeakPolarHBondContact O-CB 3.14Å; P548-L552 VanDerWaalsContact O-CG 3.3Å; P548-L552 WeakPolarHBondContact O-CG 3.24Å; P548-L552 PolarHBondContact O-N 3.18Å |
| 549 | G | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.1 | -59.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A545 V551 L552 Y553 | A545-G549 VanDerWaalsContact O-CA 3.25Å; A545-G549 WeakPolarHBondContact O-CA 3.35Å; A545-G549 PolarHBondContact O-N 3.09Å; G549-V551 VanDerWaalsContact C-N 3.29Å; G549-V551 PolarHBondContact O-N 2.78Å; G549-L552 PolarHBondContact O-N 3.15Å; G549-Y553 WeakPolarHBondContact O-CD2 3.38Å; G549-Y553 PolarHBondContact O-N 3.13Å; G549-Y553 VanDerWaalsContact O-N 3.12Å |
| 550 | P | 96.3 | Very high | 95 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.013 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.1 | -39.8 | 175.7 | -28.1 | 38.8 | 0 | 0 | 0 | 113 | G62 A66 S331 T335 F336 F546 L552 Y553 G554 | G62-P550 WeakPolarHBondContact O-CB 3.18Å; A66-P550 HydrophobicContact CB-CB 4.44Å; A66-P550 HydrophobicContact CB-CG 4.24Å; S331-P550 WeakPolarHBondContact OG-CD 3.2Å; S331-P550 WeakPolarHBondContact OG-CG 3.43Å; T335-P550 HydrophobicContact CG2-CB 4.15Å; F336-P550 HydrophobicContact CE2-CB 4.44Å; F336-P550 WeakPolarHBondContact CE2-O 3.21Å; F546-P550 WeakPolarHBondContact O-CD 3.39Å; P550-L552 PolarHBondContact O-N 3.18Å; P550-Y553 PolarHBondContact O-N 3.46Å; P550-G554 PolarHBondContact O-N 3.15Å |
| 551 | V | 97.1 | Very high | 95.3 | Very high | 31 Ų | 31 | 32.1 Ų | 32.1 | 19% | 0.188 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.1 | -43.4 | 179.9 | -175.2 | 0 | 0 | 0 | 0 | 111.6 | Q59 I63 L547 P548 G549 G554 S555 | Q59-V551 HydrophobicContact CG-CG1 4.12Å; I63-V551 HydrophobicContact CB-CG2 4.4Å; I63-V551 HydrophobicContact CG1-CG1 4.07Å; I63-V551 HydrophobicContact CG1-CG2 3.69Å; L547-V551 WeakPolarHBondContact O-CG2 3.45Å; P548-V551 PolarHBondContact O-N 3.05Å; G549-V551 VanDerWaalsContact C-N 3.29Å; G549-V551 PolarHBondContact O-N 2.78Å; V551-G554 PolarHBondContact O-N 3.28Å; V551-S555 WeakPolarHBondContact O-CB 3.4Å; V551-S555 PolarHBondContact O-N 3.11Å |
| 552 | L | 97.6 | Very high | 95.4 | Very high | 82 Ų | 82 | 34 Ų | 34 | 43% | 0.429 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62 | -48.8 | 177.1 | -72.8 | 171 | 0 | 0 | 0 | 111.4 | P548 G549 P550 G554 S555 I556 L589 F593 | P548-L552 HydrophobicContact CB-CD1 4.39Å; P548-L552 WeakPolarHBondContact O-CB 3.14Å; P548-L552 VanDerWaalsContact O-CG 3.3Å; P548-L552 WeakPolarHBondContact O-CG 3.24Å; P548-L552 PolarHBondContact O-N 3.18Å; G549-L552 PolarHBondContact O-N 3.15Å; P550-L552 PolarHBondContact O-N 3.18Å; L552-G554 PolarHBondContact O-N 2.89Å; L552-S555 PolarHBondContact O-N 3.26Å; L552-I556 WeakPolarHBondContact O-CG1 3.35Å; L552-I556 PolarHBondContact O-N 3.4Å; L552-L589 HydrophobicContact CB-CD2 4.27Å; L552-F593 HydrophobicContact CD1-CZ 4.19Å |
| 553 | Y | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 176.7 | -87.6 | -87.5 | 0 | 0 | 0 | 112 | L333 G549 P550 S555 I556 I557 F586 L589 M590 F593 | L333-Y553 HydrophobicContact CD2-CE1 3.86Å; G549-Y553 WeakPolarHBondContact O-CD2 3.38Å; G549-Y553 PolarHBondContact O-N 3.13Å; G549-Y553 VanDerWaalsContact O-N 3.12Å; P550-Y553 PolarHBondContact O-N 3.46Å; Y553-S555 PolarHBondContact O-N 3.27Å; Y553-I556 PolarHBondContact O-N 2.04Å; Y553-I557 WeakPolarHBondContact O-CD1 3.04Å; Y553-I557 VanDerWaalsContact O-CG1 3.24Å; Y553-I557 WeakPolarHBondContact O-CG1 3.45Å; Y553-I557 PolarHBondContact O-N 2.72Å; Y553-F586 AromaticContact CD1-CD2 3.55Å; Y553-F586 HydrophobicContact CD1-CD2 3.55Å; Y553-F586 HydrophobicContact CD1-CE1 4.48Å; Y553-F586 AromaticContact CD1-CE2 3.32Å; Y553-F586 HydrophobicContact CD1-CE2 3.32Å; Y553-F586 HydrophobicContact CD1-CG 4.24Å; Y553-F586 AromaticContact CD1-CZ 3.83Å; Y553-F586 HydrophobicContact CD1-CZ 3.83Å; Y553-F586 HydrophobicContact CE1-CD1 4.42Å; Y553-F586 HydrophobicContact CE1-CD2 4.05Å; Y553-F586 HydrophobicContact CE1-CE1 4.27Å; Y553-F586 AromaticContact CE1-CE2 3.9Å; Y553-F586 HydrophobicContact CE1-CE2 3.9Å; Y553-F586 HydrophobicContact CE1-CG 4.3Å; Y553-F586 HydrophobicContact CE1-CZ 4Å; Y553-F586 WeakPolarHBondContact CE1-O 3.44Å; Y553-F586 HydrophobicContact CG-CE2 4.31Å; Y553-L589 HydrophobicContact CD1-CD2 4.01Å; Y553-L589 HydrophobicContact CD2-CD2 3.54Å; Y553-L589 HydrophobicContact CE1-CB 4.35Å; Y553-L589 HydrophobicContact CE1-CD2 4.02Å; Y553-L589 HydrophobicContact CE1-CG 4.38Å; Y553-L589 HydrophobicContact CE2-CD2 3.55Å; Y553-L589 HydrophobicContact CE2-CG 4.04Å; Y553-L589 HydrophobicContact CG-CD2 3.82Å; Y553-M590 VanDerWaalsContact OH-CA 3.29Å; Y553-M590 WeakPolarHBondContact OH-CA 2.93Å; Y553-M590 WeakPolarHBondContact OH-CB 3.16Å; Y553-M590 PolarHBondContact OH-N 3.25Å; Y553-F593 HydrophobicContact CE2-CD2 4.22Å; Y553-F593 AromaticContact CE2-CE2 3.79Å; Y553-F593 HydrophobicContact CE2-CE2 3.79Å |
| 554 | G | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.7 | -46.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S58 P550 V551 L552 I556 I557 D558 | S58-G554 WeakPolarHBondContact CB-O 3.38Å; S58-G554 WeakPolarHBondContact O-CA 3.49Å; P550-G554 PolarHBondContact O-N 3.15Å; V551-G554 PolarHBondContact O-N 3.28Å; L552-G554 PolarHBondContact O-N 2.89Å; G554-I556 VanDerWaalsContact C-N 3.34Å; G554-I556 PolarHBondContact O-N 3.43Å; G554-I557 PolarHBondContact O-N 3.08Å; G554-D558 PolarHBondContact O-N 2.98Å |
| 555 | S | 96.9 | Very high | 95 | Very high | 45 Ų | 45 | 29.2 Ų | 29.2 | 32% | 0.315 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 176.6 | -176.2 | 0 | 0 | 0 | 0 | 112 | V551 L552 Y553 I557 D558 T559 | V551-S555 WeakPolarHBondContact O-CB 3.4Å; V551-S555 PolarHBondContact O-N 3.11Å; L552-S555 PolarHBondContact O-N 3.26Å; Y553-S555 PolarHBondContact O-N 3.27Å; S555-I557 PolarHBondContact O-N 2.93Å; S555-D558 PolarHBondContact O-N 2.93Å; S555-T559 WeakPolarHBondContact O-CG2 3.39Å; S555-T559 PolarHBondContact O-N 3.17Å; S555-T559 VanDerWaalsContact O-N 3.1Å |
| 556 | I | 97.5 | Very high | 94.3 | Very high | 37 Ų | 37 | 33.3 Ų | 33.3 | 19% | 0.19 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 177 | -74.8 | -176.8 | 0 | 0 | 0 | 111.4 | L552 Y553 G554 D558 T559 R585 L589 | L552-I556 WeakPolarHBondContact O-CG1 3.35Å; L552-I556 PolarHBondContact O-N 3.4Å; Y553-I556 PolarHBondContact O-N 2.04Å; G554-I556 VanDerWaalsContact C-N 3.34Å; G554-I556 PolarHBondContact O-N 3.43Å; I556-D558 VanDerWaalsContact C-N 3.29Å; I556-D558 PolarHBondContact O-N 3.21Å; I556-T559 PolarHBondContact O-N 3.33Å; I556-T559 PolarHBondContact O-OG1 3.35Å; I556-R585 HydrophobicContact CG2-CB 3.51Å; I556-L589 HydrophobicContact CD1-CB 3.64Å; I556-L589 HydrophobicContact CD1-CD1 4.25Å; I556-L589 HydrophobicContact CD1-CD2 3.44Å; I556-L589 VanDerWaalsContact CD1-CD2 3.44Å; I556-L589 HydrophobicContact CD1-CG 3.94Å |
| 557 | I | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 176.6 | -64.4 | 160.9 | 0 | 0 | 0 | 110.3 | S58 F336 Y553 G554 S555 T559 T560 Y577 F582 F586 | S58-I557 WeakPolarHBondContact OG-CG2 3.49Å; F336-I557 HydrophobicContact CB-CD1 3.68Å; F336-I557 HydrophobicContact CD1-CD1 3.45Å; F336-I557 VanDerWaalsContact CD1-CD1 3.45Å; F336-I557 HydrophobicContact CD2-CD1 4.17Å; F336-I557 HydrophobicContact CE1-CD1 4.11Å; F336-I557 HydrophobicContact CG-CD1 3.49Å; F336-I557 VanDerWaalsContact CG-CD1 3.49Å; Y553-I557 WeakPolarHBondContact O-CD1 3.04Å; Y553-I557 VanDerWaalsContact O-CG1 3.24Å; Y553-I557 WeakPolarHBondContact O-CG1 3.45Å; Y553-I557 PolarHBondContact O-N 2.72Å; G554-I557 PolarHBondContact O-N 3.08Å; S555-I557 PolarHBondContact O-N 2.93Å; I557-T559 VanDerWaalsContact C-N 3.26Å; I557-T559 PolarHBondContact O-N 2.53Å; I557-T560 PolarHBondContact O-N 3.43Å; I557-T560 VanDerWaalsContact O-N 3.12Å; I557-T560 PolarHBondContact O-OG1 3.03Å; I557-Y577 HydrophobicContact CG2-CD1 4.28Å; I557-Y577 HydrophobicContact CG2-CE1 3.48Å; I557-Y577 VanDerWaalsContact CG2-CE1 3.48Å; I557-Y577 WeakPolarHBondContact O-CE1 3.09Å; I557-F582 HydrophobicContact CB-CE2 4.34Å; I557-F582 HydrophobicContact CD1-CE2 4.42Å; I557-F582 HydrophobicContact CG1-CD2 4.4Å; I557-F582 HydrophobicContact CG1-CE2 3.55Å; I557-F582 HydrophobicContact CG1-CZ 3.98Å; I557-F582 HydrophobicContact CG2-CE2 4.3Å; I557-F582 HydrophobicContact CG2-CZ 4.18Å; I557-F586 HydrophobicContact CD1-CD2 4.26Å; I557-F586 HydrophobicContact CD1-CE2 4.08Å; I557-F586 HydrophobicContact CG1-CD2 4.03Å; I557-F586 HydrophobicContact CG1-CE2 4.37Å |
| 558 | D | 96.4 | Very high | 92.4 | Very high | 18 Ų | 18 | 35 Ų | 35 | 10% | 0.096 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65 | -31 | -179.9 | -69.9 | -14.5 | 0 | 0 | 0 | 111.9 | S57 S58 Q59 G554 S555 I556 T560 C561 W564 | S57-D558 WeakPolarHBondContact CB-OD2 3.29Å; S57-D558 PolarHBondContact OG-OD2 2.98Å; S58-D558 WeakPolarHBondContact CA-OD1 3.47Å; S58-D558 WeakPolarHBondContact CB-OD1 3.35Å; S58-D558 PolarHBondContact N-OD1 3.12Å; S58-D558 PolarHBondContact N-OD2 3.24Å; S58-D558 VanDerWaalsContact N-OD2 3.09Å; S58-D558 PolarHBondContact OG-OD1 3.13Å; Q59-D558 WeakPolarHBondContact CB-OD2 3.49Å; Q59-D558 PolarHBondContact N-OD2 3.24Å; G554-D558 PolarHBondContact O-N 2.98Å; S555-D558 PolarHBondContact O-N 2.93Å; I556-D558 VanDerWaalsContact C-N 3.29Å; I556-D558 PolarHBondContact O-N 3.21Å; D558-T560 PolarHBondContact O-N 3.25Å; D558-C561 WeakPolarHBondContact O-CB 3.26Å; D558-C561 PolarHBondContact O-N 3.47Å; D558-W564 HydrophobicContact CB-CH2 3.91Å; D558-W564 HydrophobicContact CB-CZ2 4.17Å; D558-W564 WeakPolarHBondContact O-CZ2 3.03Å |
| 559 | T | 96.3 | Very high | 91.3 | Very high | 77 Ų | 77 | 36.1 Ų | 36.1 | 47% | 0.472 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -14.9 | 175.5 | 73.3 | 0 | 0 | 0 | 0 | 114.7 | S555 I556 I557 R585 | S555-T559 WeakPolarHBondContact O-CG2 3.39Å; S555-T559 PolarHBondContact O-N 3.17Å; S555-T559 VanDerWaalsContact O-N 3.1Å; I556-T559 PolarHBondContact O-N 3.33Å; I556-T559 PolarHBondContact O-OG1 3.35Å; I557-T559 VanDerWaalsContact C-N 3.26Å; I557-T559 PolarHBondContact O-N 2.53Å; T559-R585 VanDerWaalsContact CB-NH1 3.31Å; T559-R585 PolarHBondContact O-NH1 3.46Å; T559-R585 PolarHBondContact OG1-NH1 3.3Å |
| 560 | T | 96.1 | Very high | 90.4 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 1.9 | -179.1 | 69.2 | 0 | 0 | 0 | 0 | 112.5 | I557 D558 I562 Y577 N578 F582 | I557-T560 PolarHBondContact O-N 3.43Å; I557-T560 VanDerWaalsContact O-N 3.12Å; I557-T560 PolarHBondContact O-OG1 3.03Å; D558-T560 PolarHBondContact O-N 3.25Å; T560-I562 PolarHBondContact O-N 3.47Å; T560-Y577 WeakPolarHBondContact O-CA 2.93Å; T560-N578 PolarHBondContact O-N 3.37Å; T560-F582 HydrophobicContact CG2-CB 4.23Å |
| 561 | C | 94.6 | Very high | 89.7 | Confident | 19 Ų | 19 | 48 Ų | 48 | 13% | 0.128 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 129.2 | 175.9 | -171.1 | 0 | 0 | 0 | 0 | 111.4 | D558 L563 W564 C574 Y577 | D558-C561 WeakPolarHBondContact O-CB 3.26Å; D558-C561 PolarHBondContact O-N 3.47Å; C561-L563 VanDerWaalsContact SG-C 3.52Å; C561-L563 PolarHBondContact SG-O 3.04Å; C561-L563 VanDerWaalsContact SG-O 3.32Å; C561-W564 HydrophobicContact CB-CD2 4.2Å; C561-W564 HydrophobicContact CB-CH2 4.23Å; C561-W564 HydrophobicContact CB-CZ2 3.32Å; C561-W564 PolarHBondContact SG-NE1 3.06Å; C561-W564 VanDerWaalsContact SG-NE1 3.38Å; C561-C574 WeakPolarHBondContact CA-SG 3.4Å; C561-C574 HydrophobicContact CB-CB 3.81Å; C561-C574 WeakPolarHBondContact CB-SG 3.36Å; C561-C574 WeakPolarHBondContact SG-CB 3.2Å; C561-C574 CovalentContact SG-SG 2.02Å; C561-C574 PolarHBondContact SG-SG 2.84Å; C561-Y577 HydrophobicContact CB-CD1 4.39Å; C561-Y577 HydrophobicContact CB-CE1 4.36Å |
| 562 | I | 93.1 | Very high | 89.2 | Confident | 51 Ų | 51 | 47.6 Ų | 47.6 | 26% | 0.262 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -28.1 | 176.4 | 53.3 | 173.2 | 0 | 0 | 0 | 112.2 | T410 V416 Y417 T560 Y576 N578 | T410-I562 HydrophobicContact CG2-CD1 4.35Å; V416-I562 HydrophobicContact CG1-CB 4.31Å; V416-I562 HydrophobicContact CG1-CD1 4.04Å; V416-I562 HydrophobicContact CG1-CG1 4.12Å; Y417-I562 HydrophobicContact CD2-CD1 4.48Å; Y417-I562 HydrophobicContact CG-CD1 4.24Å; T560-I562 PolarHBondContact O-N 3.47Å; I562-Y576 VanDerWaalsContact CG1-C 3.47Å; I562-Y576 WeakPolarHBondContact CG1-O 3.31Å; I562-Y576 PolarHBondContact N-O 3.16Å; I562-N578 HydrophobicContact CG2-CB 3.73Å |
| 563 | L | 90.9 | Very high | 88.8 | Confident | 29 Ų | 29 | 44.3 Ų | 44.3 | 15% | 0.152 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 114.1 | 173 | -173.8 | 69.2 | 0 | 0 | 0 | 110.2 | V416 R449 C561 C574 L575 Y576 | V416-L563 HydrophobicContact CG1-CB 3.92Å; V416-L563 HydrophobicContact CG2-CD1 4.4Å; V416-L563 HydrophobicContact CG2-CD2 4.25Å; R449-L563 HydrophobicContact CG-CD2 4.28Å; C561-L563 VanDerWaalsContact SG-C 3.52Å; C561-L563 PolarHBondContact SG-O 3.04Å; C561-L563 VanDerWaalsContact SG-O 3.32Å; L563-C574 PolarHBondContact O-SG 3.03Å; L563-L575 HydrophobicContact CD2-CB 4.38Å; L563-L575 HydrophobicContact CD2-CD1 4.19Å; L563-L575 HydrophobicContact CG-CD1 4.46Å; L563-L575 PolarHBondContact O-N 3.25Å; L563-Y576 HydrophobicContact CB-CD2 4.01Å; L563-Y576 HydrophobicContact CD2-CD2 3.67Å; L563-Y576 HydrophobicContact CD2-CE2 4.09Å; L563-Y576 HydrophobicContact CG-CD2 4.48Å; L563-Y576 PolarHBondContact N-O 3.11Å; L563-Y576 PolarHBondContact O-N 3.48Å |
| 564 | W | 91 | Very high | 88.6 | Confident | 50 Ų | 50 | 44.8 Ų | 44.8 | 19% | 0.189 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 140.3 | 171.4 | -71.9 | 94.6 | 0 | 0 | 0 | 110.3 | D558 C561 R571 T572 C574 | D558-W564 HydrophobicContact CB-CH2 3.91Å; D558-W564 HydrophobicContact CB-CZ2 4.17Å; D558-W564 WeakPolarHBondContact O-CZ2 3.03Å; C561-W564 HydrophobicContact CB-CD2 4.2Å; C561-W564 HydrophobicContact CB-CH2 4.23Å; C561-W564 HydrophobicContact CB-CZ2 3.32Å; C561-W564 PolarHBondContact SG-NE1 3.06Å; C561-W564 VanDerWaalsContact SG-NE1 3.38Å; W564-R571 HydrophobicContact CB-CG 4.01Å; W564-R571 HydrophobicContact CD2-CG 3.99Å; W564-R571 VanDerWaalsContact CD2-CZ 3.42Å; W564-R571 HydrophobicContact CE3-CG 3.72Å; W564-R571 HydrophobicContact CG-CG 4.08Å; W564-R571 VanDerWaalsContact CG-NE 3.33Å; W564-R571 HydrophobicContact CZ3-CG 4.49Å; W564-R571 VanDerWaalsContact NE1-CZ 3.31Å; W564-R571 VanDerWaalsContact NE1-NH2 3.16Å; W564-T572 WeakPolarHBondContact CZ3-O 3.11Å; W564-C574 HydrophobicContact CD2-CB 4.42Å; W564-C574 HydrophobicContact CE3-CB 4.09Å; W564-C574 HydrophobicContact CH2-CB 4.26Å; W564-C574 HydrophobicContact CZ3-CB 4.04Å |
| 565 | G | 85.2 | Confident | 88.3 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 4% | 0.041 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 151.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110 | R571 T572 S573 | G565-R571 WeakPolarHBondContact O-CA 3.49Å; G565-T572 WeakPolarHBondContact CA-OG1 3.26Å; G565-T572 PolarHBondContact O-N 3.39Å; G565-T572 PolarHBondContact O-OG1 2.85Å; G565-T572 VanDerWaalsContact O-OG1 3.13Å; G565-S573 PolarHBondContact N-O 3.1Å |
| 566 | E | 80.9 | Confident | 88 | Confident | 86 Ų | 86 | 44.3 Ų | 44.3 | 40% | 0.402 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 132.5 | 176.9 | -168.2 | 176 | 158.7 | 0 | 0 | 108 | D435 G569 Q570 | D435-E566 WeakPolarHBondContact CB-O 3.47Å; E566-G569 VanDerWaalsContact OE1-CA 3.3Å; E566-G569 WeakPolarHBondContact OE1-CA 3.42Å; E566-Q570 WeakPolarHBondContact CA-O 3.42Å |
| 567 | K | 74.5 | Confident | 87.8 | Confident | 91 Ų | 91 | 43.2 Ų | 43.2 | 40% | 0.396 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 120.7 | 169.4 | -72.7 | -173 | 176.8 | -172.6 | 0 | 107 | G569 Q570 T572 | K567-G569 VanDerWaalsContact C-N 3.35Å; K567-G569 PolarHBondContact O-N 2.98Å; K567-Q570 PolarHBondContact N-O 3Å; K567-Q570 WeakPolarHBondContact O-CB 3.04Å; K567-Q570 PolarHBondContact O-N 3.37Å; K567-T572 HydrophobicContact CB-CG2 3.84Å; K567-T572 HydrophobicContact CD-CG2 4.22Å; K567-T572 HydrophobicContact CG-CG2 3.89Å |
| 568 | C | 72.6 | Confident | 87.7 | Confident | 70 Ų | 70 | 44.9 Ų | 44.9 | 47% | 0.473 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 41 | 176.7 | -59.5 | 0 | 0 | 0 | 0 | 115.1 | C143 Q570 | C143-C568 HydrophobicContact CB-CB 3.77Å; C143-C568 WeakPolarHBondContact CB-SG 3.46Å; C143-C568 WeakPolarHBondContact SG-CB 3.2Å; C143-C568 CovalentContact SG-SG 2Å; C143-C568 PolarHBondContact SG-SG 2.86Å; C568-Q570 PolarHBondContact O-N 3.16Å |
| 569 | G | 71.3 | Confident | 87.6 | Confident | 60 Ų | 60 | 44.6 Ų | 44.6 | 62% | 0.619 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E566 K567 | E566-G569 VanDerWaalsContact OE1-CA 3.3Å; E566-G569 WeakPolarHBondContact OE1-CA 3.42Å; K567-G569 VanDerWaalsContact C-N 3.35Å; K567-G569 PolarHBondContact O-N 2.98Å |
| 570 | Q | 76.9 | Confident | 87.5 | Confident | 90 Ų | 90 | 42.8 Ų | 42.8 | 42% | 0.421 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 135.2 | 178 | -63.5 | -172.8 | 3.7 | 0 | 0 | 111.4 | E566 K567 C568 T572 | E566-Q570 WeakPolarHBondContact CA-O 3.42Å; K567-Q570 PolarHBondContact N-O 3Å; K567-Q570 WeakPolarHBondContact O-CB 3.04Å; K567-Q570 PolarHBondContact O-N 3.37Å; C568-Q570 PolarHBondContact O-N 3.16Å; Q570-T572 PolarHBondContact O-N 2.9Å |
| 571 | R | 83.4 | Confident | 87.4 | Confident | 163 Ų | 163 | 43.3 Ų | 43.3 | 62% | 0.615 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70 | 125.9 | 176.8 | 175.3 | 164.5 | 161.2 | -177.7 | -7.4 | 111.1 | W564 G565 | W564-R571 HydrophobicContact CB-CG 4.01Å; W564-R571 HydrophobicContact CD2-CG 3.99Å; W564-R571 VanDerWaalsContact CD2-CZ 3.42Å; W564-R571 HydrophobicContact CE3-CG 3.72Å; W564-R571 HydrophobicContact CG-CG 4.08Å; W564-R571 VanDerWaalsContact CG-NE 3.33Å; W564-R571 HydrophobicContact CZ3-CG 4.49Å; W564-R571 VanDerWaalsContact NE1-CZ 3.31Å; W564-R571 VanDerWaalsContact NE1-NH2 3.16Å; G565-R571 WeakPolarHBondContact O-CA 3.49Å |
| 572 | T | 86.4 | Confident | 87.5 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 13% | 0.129 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -157.5 | 179.7 | 65.5 | 0 | 0 | 0 | 0 | 111.6 | G55 W564 G565 K567 Q570 | G55-T572 CarbonylContact O-C 3.57Å; G55-T572 VanDerWaalsContact O-C 3.27Å; G55-T572 WeakPolarHBondContact O-CA 3.4Å; W564-T572 WeakPolarHBondContact CZ3-O 3.11Å; G565-T572 WeakPolarHBondContact CA-OG1 3.26Å; G565-T572 PolarHBondContact O-N 3.39Å; G565-T572 PolarHBondContact O-OG1 2.85Å; G565-T572 VanDerWaalsContact O-OG1 3.13Å; K567-T572 HydrophobicContact CB-CG2 3.84Å; K567-T572 HydrophobicContact CD-CG2 4.22Å; K567-T572 HydrophobicContact CG-CG2 3.89Å; Q570-T572 PolarHBondContact O-N 2.9Å |
| 573 | S | 89.3 | Confident | 87.6 | Confident | 14 Ų | 14 | 40.8 Ų | 40.8 | 10% | 0.098 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 149.6 | 174 | 57.8 | 0 | 0 | 0 | 0 | 111.2 | E51 G55 L56 G565 | E51-S573 WeakPolarHBondContact O-CB 3.49Å; G55-S573 VanDerWaalsContact C-N 3.34Å; G55-S573 PolarHBondContact O-N 3.39Å; L56-S573 WeakPolarHBondContact O-CB 3.28Å; G565-S573 PolarHBondContact N-O 3.1Å |
| 574 | C | 92.6 | Very high | 87.9 | Confident | 9 Ų | 9 | 45.3 Ų | 45.3 | 6% | 0.061 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 134.4 | 175.6 | -176.1 | 0 | 0 | 0 | 0 | 111.6 | C561 L563 W564 Y576 Y577 | C561-C574 WeakPolarHBondContact CA-SG 3.4Å; C561-C574 HydrophobicContact CB-CB 3.81Å; C561-C574 WeakPolarHBondContact CB-SG 3.36Å; C561-C574 WeakPolarHBondContact SG-CB 3.2Å; C561-C574 CovalentContact SG-SG 2.02Å; C561-C574 PolarHBondContact SG-SG 2.84Å; L563-C574 PolarHBondContact O-SG 3.03Å; W564-C574 HydrophobicContact CD2-CB 4.42Å; W564-C574 HydrophobicContact CE3-CB 4.09Å; W564-C574 HydrophobicContact CH2-CB 4.26Å; W564-C574 HydrophobicContact CZ3-CB 4.04Å; C574-Y576 PolarHBondContact SG-O 3.15Å; C574-Y577 HydrophobicContact CB-CE1 3.76Å; C574-Y577 HydrophobicContact CB-CE2 3.94Å; C574-Y577 VanDerWaalsContact CB-CZ 3.43Å; C574-Y577 WeakPolarHBondContact CB-OH 3.11Å; C574-Y577 VanDerWaalsContact SG-CE1 3.57Å |
| 575 | L | 90.3 | Very high | 88.2 | Confident | 31 Ų | 31 | 49 Ų | 49 | 16% | 0.162 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | -47.6 | -179.3 | -62 | 172.5 | 0 | 0 | 0 | 111.2 | F437 L563 | F437-L575 HydrophobicContact CB-CD1 4.43Å; F437-L575 HydrophobicContact CD1-CD2 3.99Å; F437-L575 HydrophobicContact CD2-CB 4.37Å; F437-L575 HydrophobicContact CD2-CD1 3.63Å; F437-L575 HydrophobicContact CD2-CD2 4.26Å; F437-L575 HydrophobicContact CD2-CG 4.3Å; F437-L575 HydrophobicContact CE1-CD2 3.97Å; F437-L575 HydrophobicContact CE2-CB 3.86Å; F437-L575 HydrophobicContact CE2-CD1 4Å; F437-L575 HydrophobicContact CE2-CD2 4.25Å; F437-L575 HydrophobicContact CE2-CG 4.25Å; F437-L575 HydrophobicContact CG-CD1 4.01Å; F437-L575 HydrophobicContact CG-CD2 4.13Å; F437-L575 HydrophobicContact CZ-CB 4.08Å; F437-L575 HydrophobicContact CZ-CD2 4.11Å; L563-L575 HydrophobicContact CD2-CB 4.38Å; L563-L575 HydrophobicContact CD2-CD1 4.19Å; L563-L575 HydrophobicContact CG-CD1 4.46Å; L563-L575 PolarHBondContact O-N 3.25Å |
| 576 | Y | 91.7 | Very high | 88.8 | Confident | 5 Ų | 5 | 48.8 Ų | 48.8 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 140.6 | 177.5 | -68.4 | -63.4 | 0 | 0 | 0 | 112.5 | L236 V413 F437 E447 I562 L563 C574 | L236-Y576 HydrophobicContact CD1-CE1 3.99Å; V413-Y576 HydrophobicContact CG1-CD2 4.22Å; V413-Y576 HydrophobicContact CG1-CE2 3.82Å; V413-Y576 HydrophobicContact CG2-CD1 4.24Å; V413-Y576 HydrophobicContact CG2-CD2 4.42Å; V413-Y576 HydrophobicContact CG2-CE1 4.16Å; V413-Y576 HydrophobicContact CG2-CE2 4.34Å; V413-Y576 HydrophobicContact CG2-CG 4.37Å; F437-Y576 HydrophobicContact CE2-CD2 4.49Å; F437-Y576 AromaticContact CE2-CE2 3.79Å; F437-Y576 HydrophobicContact CE2-CE2 3.79Å; F437-Y576 HydrophobicContact CZ-CE2 4.5Å; E447-Y576 WeakPolarHBondContact OE1-CE1 3.35Å; E447-Y576 PolarHBondContact OE1-OH 2.81Å; I562-Y576 VanDerWaalsContact CG1-C 3.47Å; I562-Y576 WeakPolarHBondContact CG1-O 3.31Å; I562-Y576 PolarHBondContact N-O 3.16Å; L563-Y576 HydrophobicContact CB-CD2 4.01Å; L563-Y576 HydrophobicContact CD2-CD2 3.67Å; L563-Y576 HydrophobicContact CD2-CE2 4.09Å; L563-Y576 HydrophobicContact CG-CD2 4.48Å; L563-Y576 PolarHBondContact N-O 3.11Å; L563-Y576 PolarHBondContact O-N 3.48Å; C574-Y576 PolarHBondContact SG-O 3.15Å |
| 577 | Y | 93.7 | Very high | 89.5 | Confident | 13 Ų | 13 | 44.7 Ų | 44.7 | 5% | 0.051 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 145 | 178.2 | -66.1 | -87.7 | 0 | 0 | 0 | 110.7 | K339 K343 I557 T560 C561 C574 L579 F582 | K339-Y577 VanDerWaalsContact CE-OH 3.3Å; K339-Y577 WeakPolarHBondContact CE-OH 3.5Å; K339-Y577 PolarHBondContact NZ-OH 3.26Å; K343-Y577 HydrophobicContact CD-CD2 4.47Å; K343-Y577 HydrophobicContact CG-CD2 4.36Å; K343-Y577 HydrophobicContact CG-CE2 4.45Å; I557-Y577 HydrophobicContact CG2-CD1 4.28Å; I557-Y577 HydrophobicContact CG2-CE1 3.48Å; I557-Y577 VanDerWaalsContact CG2-CE1 3.48Å; I557-Y577 WeakPolarHBondContact O-CE1 3.09Å; T560-Y577 WeakPolarHBondContact O-CA 2.93Å; C561-Y577 HydrophobicContact CB-CD1 4.39Å; C561-Y577 HydrophobicContact CB-CE1 4.36Å; C574-Y577 HydrophobicContact CB-CE1 3.76Å; C574-Y577 HydrophobicContact CB-CE2 3.94Å; C574-Y577 VanDerWaalsContact CB-CZ 3.43Å; C574-Y577 WeakPolarHBondContact CB-OH 3.11Å; C574-Y577 VanDerWaalsContact SG-CE1 3.57Å; Y577-L579 PolarHBondContact O-N 3.22Å; Y577-L579 VanDerWaalsContact O-N 3.1Å; Y577-F582 HydrophobicContact CG-CD1 4.46Å |
| 578 | N | 94.6 | Very high | 90.6 | Very high | 35 Ų | 35 | 41.3 Ų | 41.3 | 19% | 0.187 | 22% | 0.218 | C | C | . | . | trans | -69.7 | 101 | 162.2 | -174.3 | -50.5 | 0 | 0 | 0 | 108.2 | T410 Y417 T560 I562 D580 G581 F582 | T410-N578 PolarHBondContact OG1-OD1 3.2Å; Y417-N578 WeakPolarHBondContact CE2-ND2 3.42Å; Y417-N578 PolarHBondContact OH-ND2 3.15Å; T560-N578 PolarHBondContact O-N 3.37Å; I562-N578 HydrophobicContact CG2-CB 3.73Å; N578-D580 VanDerWaalsContact C-N 3.31Å; N578-D580 PolarHBondContact O-N 3.25Å; N578-D580 PolarHBondContact OD1-N 3.49Å; N578-G581 PolarHBondContact O-N 2.99Å; N578-G581 PolarHBondContact OD1-N 3.33Å; N578-F582 WeakPolarHBondContact O-CB 3.46Å; N578-F582 PolarHBondContact O-N 3.17Å | ||
| 579 | L | 93.9 | Very high | 91.8 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 7% | 0.068 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.4 | -33.4 | -174 | -60.9 | -176.1 | 0 | 0 | 0 | 112.4 | Q344 C408 T410 Y577 F582 R583 | Q344-L579 PolarHBondContact OE1-O 2.92Å; C408-L579 HydrophobicContact CB-CD1 4.21Å; T410-L579 PolarHBondContact OG1-N 2.91Å; Y577-L579 PolarHBondContact O-N 3.22Å; Y577-L579 VanDerWaalsContact O-N 3.1Å; L579-F582 HydrophobicContact CD2-CD1 4.48Å; L579-F582 PolarHBondContact O-N 2.02Å; L579-R583 WeakPolarHBondContact O-CB 3.33Å; L579-R583 PolarHBondContact O-N 2.83Å |
| 580 | D | 94 | Very high | 93 | Very high | 39 Ų | 39 | 36.6 Ų | 36.6 | 21% | 0.209 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.8 | -44.6 | 178.4 | -65.2 | -65.1 | 0 | 0 | 0 | 111.7 | T410 N578 F582 R583 K584 | T410-D580 PolarHBondContact N-OD2 2.9Å; T410-D580 PolarHBondContact OG1-N 3.29Å; T410-D580 VanDerWaalsContact OG1-N 3.16Å; T410-D580 PolarHBondContact OG1-OD2 3.28Å; N578-D580 VanDerWaalsContact C-N 3.31Å; N578-D580 PolarHBondContact O-N 3.25Å; N578-D580 PolarHBondContact OD1-N 3.49Å; D580-F582 VanDerWaalsContact C-N 3.34Å; D580-R583 IonicContact OD1-CZ 3.91Å; D580-R583 IonicContact OD1-NH1 3.56Å; D580-R583 IonicContact OD1-NH2 3.11Å; D580-R583 PolarHBondContact OD1-NH2 2.87Å; D580-R583 VanDerWaalsContact OD1-NH2 3.11Å; D580-K584 WeakPolarHBondContact O-CB 3.4Å; D580-K584 WeakPolarHBondContact O-CD 3.33Å; D580-K584 WeakPolarHBondContact O-CG 3.21Å; D580-K584 PolarHBondContact O-N 3.08Å; D580-K584 VanDerWaalsContact O-N 3.15Å |
| 581 | G | 95.6 | Very high | 94 | Very high | 16 Ų | 16 | 33.3 Ų | 33.3 | 17% | 0.165 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.6 | -40.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N578 K584 R585 | N578-G581 PolarHBondContact O-N 2.99Å; N578-G581 PolarHBondContact OD1-N 3.33Å; G581-K584 PolarHBondContact O-N 3.33Å; G581-R585 WeakPolarHBondContact O-CB 3.27Å; G581-R585 VanDerWaalsContact O-CG 3.32Å; G581-R585 WeakPolarHBondContact O-CG 3.39Å; G581-R585 PolarHBondContact O-N 3.07Å |
| 582 | F | 95.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.3 | -53.5 | -179.5 | -173.9 | -169.6 | 0 | 0 | 0 | 110.5 | F340 K343 I557 T560 Y577 N578 L579 D580 K584 R585 F586 | F340-F582 HydrophobicContact CB-CZ 4.33Å; F340-F582 HydrophobicContact CD2-CD2 4.23Å; F340-F582 HydrophobicContact CD2-CE1 4.28Å; F340-F582 AromaticContact CD2-CE2 3.72Å; F340-F582 HydrophobicContact CD2-CE2 3.72Å; F340-F582 AromaticContact CD2-CZ 3.78Å; F340-F582 HydrophobicContact CD2-CZ 3.78Å; F340-F582 HydrophobicContact CE2-CD2 4.44Å; F340-F582 HydrophobicContact CE2-CE2 4.36Å; K343-F582 HydrophobicContact CB-CE1 4Å; I557-F582 HydrophobicContact CB-CE2 4.34Å; I557-F582 HydrophobicContact CD1-CE2 4.42Å; I557-F582 HydrophobicContact CG1-CD2 4.4Å; I557-F582 HydrophobicContact CG1-CE2 3.55Å; I557-F582 HydrophobicContact CG1-CZ 3.98Å; I557-F582 HydrophobicContact CG2-CE2 4.3Å; I557-F582 HydrophobicContact CG2-CZ 4.18Å; T560-F582 HydrophobicContact CG2-CB 4.23Å; Y577-F582 HydrophobicContact CG-CD1 4.46Å; N578-F582 WeakPolarHBondContact O-CB 3.46Å; N578-F582 PolarHBondContact O-N 3.17Å; L579-F582 HydrophobicContact CD2-CD1 4.48Å; L579-F582 PolarHBondContact O-N 2.02Å; D580-F582 VanDerWaalsContact C-N 3.34Å; F582-K584 PolarHBondContact O-N 3.02Å; F582-R585 PolarHBondContact O-N 2.94Å; F582-F586 HydrophobicContact CD2-CB 3.91Å; F582-F586 HydrophobicContact CD2-CG 4.48Å; F582-F586 HydrophobicContact CE2-CB 3.89Å; F582-F586 AromaticContact CE2-CD2 3.78Å; F582-F586 HydrophobicContact CE2-CD2 3.78Å; F582-F586 AromaticContact CE2-CG 3.96Å; F582-F586 HydrophobicContact CE2-CG 3.96Å; F582-F586 WeakPolarHBondContact O-CB 3.47Å; F582-F586 PolarHBondContact O-N 2.96Å |
| 583 | R | 95.6 | Very high | 95.2 | Very high | 17 Ų | 17 | 30 Ų | 30 | 6% | 0.064 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -54.6 | -50.8 | 174.9 | -175.3 | 173.1 | 64.4 | -108.2 | 0.1 | 112.5 | F340 I404 I406 G407 C408 L579 D580 L587 | F340-R583 HydrophobicContact CE2-CB 4.39Å; F340-R583 HydrophobicContact CZ-CB 4.27Å; F340-R583 HydrophobicContact CZ-CG 4.15Å; I404-R583 VanDerWaalsContact O-CD 3.24Å; I404-R583 WeakPolarHBondContact O-CD 3.26Å; I404-R583 WeakPolarHBondContact O-CG 3.43Å; I404-R583 PolarHBondContact O-NE 3.25Å; I406-R583 WeakPolarHBondContact O-CD 3.28Å; G407-R583 VanDerWaalsContact C-NH1 3.33Å; G407-R583 PolarHBondContact O-NH1 3.33Å; C408-R583 PolarHBondContact O-NH1 3.07Å; L579-R583 WeakPolarHBondContact O-CB 3.33Å; L579-R583 PolarHBondContact O-N 2.83Å; D580-R583 IonicContact OD1-CZ 3.91Å; D580-R583 IonicContact OD1-NH1 3.56Å; D580-R583 IonicContact OD1-NH2 3.11Å; D580-R583 PolarHBondContact OD1-NH2 2.87Å; D580-R583 VanDerWaalsContact OD1-NH2 3.11Å; R583-L587 HydrophobicContact CG-CD1 3.78Å; R583-L587 WeakPolarHBondContact O-CB 3.4Å; R583-L587 PolarHBondContact O-N 2.85Å |
| 584 | K | 96.1 | Very high | 95.5 | Very high | 125 Ų | 125 | 29.3 Ų | 29.3 | 54% | 0.543 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -63.3 | -44.8 | -177.2 | -71.6 | 171.1 | -173.7 | 175.5 | 0 | 112.9 | I404 D580 G581 F582 G588 | I404-K584 HydrophobicContact CG2-CG 4.21Å; D580-K584 WeakPolarHBondContact O-CB 3.4Å; D580-K584 WeakPolarHBondContact O-CD 3.33Å; D580-K584 WeakPolarHBondContact O-CG 3.21Å; D580-K584 PolarHBondContact O-N 3.08Å; D580-K584 VanDerWaalsContact O-N 3.15Å; G581-K584 PolarHBondContact O-N 3.33Å; F582-K584 PolarHBondContact O-N 3.02Å; K584-G588 WeakPolarHBondContact O-CA 3.27Å; K584-G588 PolarHBondContact O-N 3.21Å |
| 585 | R | 97.4 | Very high | 95.8 | Very high | 126 Ų | 126 | 31.6 Ų | 31.6 | 48% | 0.475 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -77.1 | -41.5 | -177.6 | -63.4 | 179.7 | -175.9 | 165.7 | 4.6 | 112.1 | I556 T559 G581 F582 L589 | I556-R585 HydrophobicContact CG2-CB 3.51Å; T559-R585 VanDerWaalsContact CB-NH1 3.31Å; T559-R585 PolarHBondContact O-NH1 3.46Å; T559-R585 PolarHBondContact OG1-NH1 3.3Å; G581-R585 WeakPolarHBondContact O-CB 3.27Å; G581-R585 VanDerWaalsContact O-CG 3.32Å; G581-R585 WeakPolarHBondContact O-CG 3.39Å; G581-R585 PolarHBondContact O-N 3.07Å; F582-R585 PolarHBondContact O-N 2.94Å; R585-L589 PolarHBondContact O-N 3.13Å |
| 586 | F | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67 | -51.9 | -179 | -174.5 | -91.2 | 0 | 0 | 0 | 112 | L333 F336 M337 F340 Y553 I557 F582 L589 M590 | L333-F586 HydrophobicContact CD2-CE1 3.7Å; L333-F586 HydrophobicContact CD2-CZ 3.97Å; F336-F586 HydrophobicContact CB-CE2 3.69Å; F336-F586 HydrophobicContact CB-CZ 4.03Å; M337-F586 HydrophobicContact CE-CE1 4.3Å; M337-F586 HydrophobicContact SD-CE1 4.01Å; F340-F586 HydrophobicContact CB-CD1 4.36Å; F340-F586 HydrophobicContact CB-CE1 3.94Å; F340-F586 HydrophobicContact CB-CZ 4.11Å; F340-F586 HydrophobicContact CD2-CB 4.17Å; F340-F586 AromaticContact CD2-CD1 3.48Å; F340-F586 HydrophobicContact CD2-CD1 3.48Å; F340-F586 VanDerWaalsContact CD2-CD1 3.48Å; F340-F586 HydrophobicContact CD2-CD2 4.48Å; F340-F586 AromaticContact CD2-CE1 3.94Å; F340-F586 HydrophobicContact CD2-CE1 3.94Å; F340-F586 AromaticContact CD2-CG 3.81Å; F340-F586 HydrophobicContact CD2-CG 3.81Å; F340-F586 HydrophobicContact CE2-CB 4.2Å; F340-F586 AromaticContact CE2-CD1 3.92Å; F340-F586 HydrophobicContact CE2-CD1 3.92Å; F340-F586 HydrophobicContact CE2-CG 4.26Å; F340-F586 AromaticContact CG-CD1 3.92Å; F340-F586 HydrophobicContact CG-CD1 3.92Å; F340-F586 AromaticContact CG-CE1 3.9Å; F340-F586 HydrophobicContact CG-CE1 3.9Å; Y553-F586 AromaticContact CD1-CD2 3.55Å; Y553-F586 HydrophobicContact CD1-CD2 3.55Å; Y553-F586 HydrophobicContact CD1-CE1 4.48Å; Y553-F586 AromaticContact CD1-CE2 3.32Å; Y553-F586 HydrophobicContact CD1-CE2 3.32Å; Y553-F586 HydrophobicContact CD1-CG 4.24Å; Y553-F586 AromaticContact CD1-CZ 3.83Å; Y553-F586 HydrophobicContact CD1-CZ 3.83Å; Y553-F586 HydrophobicContact CE1-CD1 4.42Å; Y553-F586 HydrophobicContact CE1-CD2 4.05Å; Y553-F586 HydrophobicContact CE1-CE1 4.27Å; Y553-F586 AromaticContact CE1-CE2 3.9Å; Y553-F586 HydrophobicContact CE1-CE2 3.9Å; Y553-F586 HydrophobicContact CE1-CG 4.3Å; Y553-F586 HydrophobicContact CE1-CZ 4Å; Y553-F586 WeakPolarHBondContact CE1-O 3.44Å; Y553-F586 HydrophobicContact CG-CE2 4.31Å; I557-F586 HydrophobicContact CD1-CD2 4.26Å; I557-F586 HydrophobicContact CD1-CE2 4.08Å; I557-F586 HydrophobicContact CG1-CD2 4.03Å; I557-F586 HydrophobicContact CG1-CE2 4.37Å; F582-F586 HydrophobicContact CD2-CB 3.91Å; F582-F586 HydrophobicContact CD2-CG 4.48Å; F582-F586 HydrophobicContact CE2-CB 3.89Å; F582-F586 AromaticContact CE2-CD2 3.78Å; F582-F586 HydrophobicContact CE2-CD2 3.78Å; F582-F586 AromaticContact CE2-CG 3.96Å; F582-F586 HydrophobicContact CE2-CG 3.96Å; F582-F586 WeakPolarHBondContact O-CB 3.47Å; F582-F586 PolarHBondContact O-N 2.96Å; F586-L589 PolarHBondContact O-N 3.47Å; F586-M590 PolarHBondContact O-N 3.45Å |
| 587 | L | 97.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 30.8 Ų | 30.8 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -76 | -26.7 | 177.3 | -60.2 | 175.7 | 0 | 0 | 0 | 111.9 | F340 M403 I404 F499 R583 M590 V591 | F340-L587 HydrophobicContact CE1-CD1 4.45Å; F340-L587 HydrophobicContact CE2-CG 4.49Å; F340-L587 HydrophobicContact CZ-CD1 3.97Å; F340-L587 HydrophobicContact CZ-CG 4.13Å; M403-L587 HydrophobicContact CB-CD1 3.93Å; M403-L587 WeakPolarHBondContact O-CD1 3.5Å; I404-L587 HydrophobicContact CG1-CB 3.85Å; F499-L587 HydrophobicContact CE2-CD1 4Å; R583-L587 HydrophobicContact CG-CD1 3.78Å; R583-L587 WeakPolarHBondContact O-CB 3.4Å; R583-L587 PolarHBondContact O-N 2.85Å; L587-M590 HydrophobicContact CD2-SD 4.31Å; L587-M590 VanDerWaalsContact O-CB 3.29Å; L587-M590 WeakPolarHBondContact O-CB 3.43Å; L587-M590 PolarHBondContact O-N 2.86Å; L587-V591 PolarHBondContact O-N 1.99Å |
| 588 | G | 96.9 | Very high | 96.6 | Very high | 20 Ų | 20 | 31.2 Ų | 31.2 | 21% | 0.206 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.3 | K584 M590 V591 V592 | K584-G588 WeakPolarHBondContact O-CA 3.27Å; K584-G588 PolarHBondContact O-N 3.21Å; G588-M590 VanDerWaalsContact C-N 3.26Å; G588-M590 PolarHBondContact O-N 3.12Å; G588-V591 PolarHBondContact O-N 3.08Å; G588-V591 VanDerWaalsContact O-N 3.1Å; G588-V592 WeakPolarHBondContact O-CG2 3.22Å; G588-V592 PolarHBondContact O-N 2.95Å |
| 589 | L | 97.4 | Very high | 96.7 | Very high | 26 Ų | 26 | 34.4 Ų | 34.4 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.8 | -37.8 | 173.8 | -179.2 | 62.3 | 0 | 0 | 0 | 111.6 | L552 Y553 I556 R585 F586 V591 V592 F593 | L552-L589 HydrophobicContact CB-CD2 4.27Å; Y553-L589 HydrophobicContact CD1-CD2 4.01Å; Y553-L589 HydrophobicContact CD2-CD2 3.54Å; Y553-L589 HydrophobicContact CE1-CB 4.35Å; Y553-L589 HydrophobicContact CE1-CD2 4.02Å; Y553-L589 HydrophobicContact CE1-CG 4.38Å; Y553-L589 HydrophobicContact CE2-CD2 3.55Å; Y553-L589 HydrophobicContact CE2-CG 4.04Å; Y553-L589 HydrophobicContact CG-CD2 3.82Å; I556-L589 HydrophobicContact CD1-CB 3.64Å; I556-L589 HydrophobicContact CD1-CD1 4.25Å; I556-L589 HydrophobicContact CD1-CD2 3.44Å; I556-L589 VanDerWaalsContact CD1-CD2 3.44Å; I556-L589 HydrophobicContact CD1-CG 3.94Å; R585-L589 PolarHBondContact O-N 3.13Å; F586-L589 PolarHBondContact O-N 3.47Å; L589-V591 PolarHBondContact O-N 3.11Å; L589-V592 WeakPolarHBondContact O-CB 3.21Å; L589-V592 PolarHBondContact O-N 2.03Å; L589-F593 HydrophobicContact CD1-CD2 4.19Å; L589-F593 HydrophobicContact CD1-CE2 3.69Å; L589-F593 HydrophobicContact CD1-CZ 4.17Å; L589-F593 HydrophobicContact CD2-CE2 3.96Å; L589-F593 HydrophobicContact CG-CD2 4.04Å; L589-F593 HydrophobicContact CG-CE2 3.63Å; L589-F593 VanDerWaalsContact O-CD2 3.31Å; L589-F593 WeakPolarHBondContact O-CD2 3.43Å; L589-F593 PolarHBondContact O-N 3.18Å; L589-F593 VanDerWaalsContact O-N 3.12Å |
| 590 | M | 96.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.02 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58 | -48.2 | 172.4 | 153 | 174.7 | -161.2 | 0 | 0 | 111.4 | L329 L333 A400 M403 T506 I510 Y553 F586 L587 G588 V592 F593 V594 | L329-M590 HydrophobicContact CD1-CB 3.55Å; L329-M590 HydrophobicContact CD1-CG 3.53Å; L329-M590 HydrophobicContact CD1-SD 4.39Å; L333-M590 HydrophobicContact CD1-CE 4.28Å; L333-M590 HydrophobicContact CD1-SD 3.91Å; A400-M590 HydrophobicContact CB-CE 3.96Å; M403-M590 HydrophobicContact CE-CE 3.66Å; M403-M590 HydrophobicContact CE-SD 3.93Å; T506-M590 HydrophobicContact CG2-CE 3.24Å; I510-M590 HydrophobicContact CD1-CE 4.39Å; Y553-M590 VanDerWaalsContact OH-CA 3.29Å; Y553-M590 WeakPolarHBondContact OH-CA 2.93Å; Y553-M590 WeakPolarHBondContact OH-CB 3.16Å; Y553-M590 PolarHBondContact OH-N 3.25Å; F586-M590 PolarHBondContact O-N 3.45Å; L587-M590 HydrophobicContact CD2-SD 4.31Å; L587-M590 VanDerWaalsContact O-CB 3.29Å; L587-M590 WeakPolarHBondContact O-CB 3.43Å; L587-M590 PolarHBondContact O-N 2.86Å; G588-M590 VanDerWaalsContact C-N 3.26Å; G588-M590 PolarHBondContact O-N 3.12Å; M590-V592 VanDerWaalsContact C-N 3.31Å; M590-V592 PolarHBondContact O-N 3.45Å; M590-F593 PolarHBondContact O-N 3.47Å; M590-V594 WeakPolarHBondContact O-CG2 3.32Å; M590-V594 PolarHBondContact O-N 3.43Å; M590-V594 VanDerWaalsContact O-N 3.09Å |
| 591 | V | 96.9 | Very high | 97 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 13% | 0.133 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.3 | -37.8 | 177.4 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | L397 A400 L401 I404 L587 G588 L589 F593 V594 C595 | L397-V591 HydrophobicContact CD2-CG1 4.09Å; A400-V591 HydrophobicContact CB-CG2 4.48Å; L401-V591 HydrophobicContact CD2-CG1 4.12Å; L401-V591 HydrophobicContact CD2-CG2 4.14Å; I404-V591 HydrophobicContact CD1-CG2 3.95Å; L587-V591 PolarHBondContact O-N 1.99Å; G588-V591 PolarHBondContact O-N 3.08Å; G588-V591 VanDerWaalsContact O-N 3.1Å; L589-V591 PolarHBondContact O-N 3.11Å; V591-F593 PolarHBondContact O-N 2.75Å; V591-V594 PolarHBondContact O-N 3.39Å; V591-C595 WeakPolarHBondContact O-CB 3.48Å; V591-C595 PolarHBondContact O-N 2.95Å; V591-C595 PolarHBondContact O-SG 2.65Å; V591-C595 VanDerWaalsContact O-SG 3.34Å |
| 592 | V | 97.4 | Very high | 97.1 | Very high | 91 Ų | 91 | 35.8 Ų | 35.8 | 55% | 0.552 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -58.3 | -47.8 | 175.7 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | G588 L589 M590 V594 C595 G596 | G588-V592 WeakPolarHBondContact O-CG2 3.22Å; G588-V592 PolarHBondContact O-N 2.95Å; L589-V592 WeakPolarHBondContact O-CB 3.21Å; L589-V592 PolarHBondContact O-N 2.03Å; M590-V592 VanDerWaalsContact C-N 3.31Å; M590-V592 PolarHBondContact O-N 3.45Å; V592-V594 PolarHBondContact O-N 2.89Å; V592-C595 PolarHBondContact O-N 3.22Å; V592-G596 PolarHBondContact O-N 3.17Å |
| 593 | F | 97.6 | Very high | 97.1 | Very high | 23 Ų | 23 | 39.5 Ų | 39.5 | 10% | 0.101 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 176.6 | -74.1 | -57.8 | 0 | 0 | 0 | 112.4 | N325 A328 L329 L552 Y553 L589 M590 V591 G596 A597 | N325-F593 HydrophobicContact CB-CD1 4.45Å; N325-F593 WeakPolarHBondContact CB-O 3.01Å; A328-F593 HydrophobicContact CB-CD1 4.01Å; A328-F593 HydrophobicContact CB-CE1 3.62Å; A328-F593 HydrophobicContact CB-CE2 4.35Å; A328-F593 HydrophobicContact CB-CZ 3.81Å; L329-F593 HydrophobicContact CB-CB 3.94Å; L329-F593 HydrophobicContact CB-CD2 4.33Å; L329-F593 HydrophobicContact CB-CG 4.34Å; L552-F593 HydrophobicContact CD1-CZ 4.19Å; Y553-F593 HydrophobicContact CE2-CD2 4.22Å; Y553-F593 AromaticContact CE2-CE2 3.79Å; Y553-F593 HydrophobicContact CE2-CE2 3.79Å; L589-F593 HydrophobicContact CD1-CD2 4.19Å; L589-F593 HydrophobicContact CD1-CE2 3.69Å; L589-F593 HydrophobicContact CD1-CZ 4.17Å; L589-F593 HydrophobicContact CD2-CE2 3.96Å; L589-F593 HydrophobicContact CG-CD2 4.04Å; L589-F593 HydrophobicContact CG-CE2 3.63Å; L589-F593 VanDerWaalsContact O-CD2 3.31Å; L589-F593 WeakPolarHBondContact O-CD2 3.43Å; L589-F593 PolarHBondContact O-N 3.18Å; L589-F593 VanDerWaalsContact O-N 3.12Å; M590-F593 PolarHBondContact O-N 3.47Å; V591-F593 PolarHBondContact O-N 2.75Å; F593-G596 PolarHBondContact O-N 3.32Å; F593-A597 PolarHBondContact O-N 2.95Å |
| 594 | V | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.8 | -41.8 | 176.3 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | L329 I393 C396 L397 M590 V591 V592 A597 L598 | L329-V594 HydrophobicContact CD2-CG2 3.74Å; I393-V594 HydrophobicContact CG2-CG1 3.79Å; C396-V594 HydrophobicContact CB-CG1 4.31Å; L397-V594 HydrophobicContact CD2-CB 3.84Å; L397-V594 HydrophobicContact CD2-CG1 3.4Å; L397-V594 VanDerWaalsContact CD2-CG1 3.4Å; L397-V594 HydrophobicContact CG-CG1 3.58Å; M590-V594 WeakPolarHBondContact O-CG2 3.32Å; M590-V594 PolarHBondContact O-N 3.43Å; M590-V594 VanDerWaalsContact O-N 3.09Å; V591-V594 PolarHBondContact O-N 3.39Å; V592-V594 PolarHBondContact O-N 2.89Å; V594-A597 PolarHBondContact O-N 3.27Å; V594-L598 WeakPolarHBondContact O-CB 3.35Å; V594-L598 PolarHBondContact O-N 3.38Å |
| 595 | C | 97.7 | Very high | 97 | Very high | 57 Ų | 57 | 33.8 Ų | 33.8 | 39% | 0.385 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.8 | -40 | 174 | -73.3 | 0 | 0 | 0 | 0 | 112.2 | V591 V592 L598 L599 | V591-C595 WeakPolarHBondContact O-CB 3.48Å; V591-C595 PolarHBondContact O-N 2.95Å; V591-C595 PolarHBondContact O-SG 2.65Å; V591-C595 VanDerWaalsContact O-SG 3.34Å; V592-C595 PolarHBondContact O-N 3.22Å; C595-L598 WeakPolarHBondContact O-CB 3.08Å; C595-L598 PolarHBondContact O-N 2.92Å; C595-L599 WeakPolarHBondContact O-CB 3.33Å; C595-L599 PolarHBondContact O-N 2.73Å |
| 596 | G | 97.5 | Very high | 96.8 | Very high | 19 Ų | 19 | 30.9 Ų | 30.9 | 20% | 0.196 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V592 F593 L599 C600 | V592-G596 PolarHBondContact O-N 3.17Å; F593-G596 PolarHBondContact O-N 3.32Å; G596-L599 PolarHBondContact O-N 2.79Å; G596-C600 PolarHBondContact O-N 3.31Å; G596-C600 VanDerWaalsContact O-N 3.11Å; G596-C600 PolarHBondContact O-SG 2.82Å |
| 597 | A | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N325 M326 F593 V594 L599 C600 F601 | N325-A597 HydrophobicContact CB-CB 4.08Å; M326-A597 HydrophobicContact CG-CB 3.89Å; M326-A597 HydrophobicContact SD-CB 3.83Å; F593-A597 PolarHBondContact O-N 2.95Å; V594-A597 PolarHBondContact O-N 3.27Å; A597-L599 PolarHBondContact O-N 3.28Å; A597-C600 PolarHBondContact O-N 2.93Å; A597-F601 WeakPolarHBondContact O-CD2 3.38Å; A597-F601 PolarHBondContact O-N 2.87Å |
| 598 | L | 97.3 | Very high | 96.3 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 12% | 0.115 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.9 | -48.4 | 176.8 | -178.8 | 60.9 | 0 | 0 | 0 | 111.4 | T390 I393 L394 L397 V594 C595 C600 F601 L602 | T390-L598 HydrophobicContact CG2-CD1 4Å; I393-L598 HydrophobicContact CB-CD1 4.44Å; I393-L598 HydrophobicContact CG2-CB 3.68Å; I393-L598 HydrophobicContact CG2-CD1 4.09Å; I393-L598 HydrophobicContact CG2-CG 4.42Å; L394-L598 HydrophobicContact CD2-CD1 3.97Å; L394-L598 HydrophobicContact CD2-CD2 3.69Å; L394-L598 HydrophobicContact CG-CD1 3.85Å; L394-L598 HydrophobicContact CG-CD2 4.46Å; L397-L598 HydrophobicContact CD1-CD2 3.64Å; V594-L598 WeakPolarHBondContact O-CB 3.35Å; V594-L598 PolarHBondContact O-N 3.38Å; C595-L598 WeakPolarHBondContact O-CB 3.08Å; C595-L598 PolarHBondContact O-N 2.92Å; L598-C600 VanDerWaalsContact C-N 3.3Å; L598-C600 PolarHBondContact O-N 2.85Å; L598-F601 PolarHBondContact O-N 2.91Å; L598-L602 HydrophobicContact CD1-CD1 4.25Å; L598-L602 HydrophobicContact CD1-CG 4.21Å; L598-L602 HydrophobicContact CG-CD1 3.95Å; L598-L602 HydrophobicContact CG-CG 4.35Å; L598-L602 WeakPolarHBondContact O-CB 3.11Å; L598-L602 VanDerWaalsContact O-CG 3.32Å; L598-L602 WeakPolarHBondContact O-CG 3.44Å; L598-L602 PolarHBondContact O-N 2.76Å |
| 599 | L | 97.9 | Very high | 96 | Very high | 101 Ų | 101 | 39.8 Ų | 39.8 | 53% | 0.529 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -57.4 | -46.1 | 177.8 | 179.2 | 63 | 0 | 0 | 0 | 110.8 | C595 G596 A597 F601 L602 L603 | C595-L599 WeakPolarHBondContact O-CB 3.33Å; C595-L599 PolarHBondContact O-N 2.73Å; G596-L599 PolarHBondContact O-N 2.79Å; A597-L599 PolarHBondContact O-N 3.28Å; L599-F601 PolarHBondContact O-N 3.4Å; L599-L602 PolarHBondContact O-N 2.83Å; L599-L603 HydrophobicContact CD1-CD1 4.28Å; L599-L603 HydrophobicContact CD1-CG 4.29Å; L599-L603 HydrophobicContact CG-CD1 4.11Å; L599-L603 WeakPolarHBondContact O-CB 3.47Å; L599-L603 VanDerWaalsContact O-CG 3.27Å; L599-L603 WeakPolarHBondContact O-CG 3.01Å; L599-L603 PolarHBondContact O-N 3.2Å |
| 600 | C | 97.6 | Very high | 95.6 | Very high | 15 Ų | 15 | 47.8 Ų | 47.8 | 10% | 0.101 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.3 | -41.6 | 178.1 | -67.6 | 0 | 0 | 0 | 0 | 112.6 | L318 A322 G596 A597 L598 L603 T604 | L318-C600 WeakPolarHBondContact O-CB 3.34Å; A322-C600 HydrophobicContact CB-CB 3.58Å; G596-C600 PolarHBondContact O-N 3.31Å; G596-C600 VanDerWaalsContact O-N 3.11Å; G596-C600 PolarHBondContact O-SG 2.82Å; A597-C600 PolarHBondContact O-N 2.93Å; L598-C600 VanDerWaalsContact C-N 3.3Å; L598-C600 PolarHBondContact O-N 2.85Å; C600-L603 PolarHBondContact O-N 2.79Å; C600-T604 WeakPolarHBondContact O-CB 3.01Å; C600-T604 PolarHBondContact O-N 2.85Å; C600-T604 PolarHBondContact O-OG1 3.31Å |
| 601 | F | 96.8 | Very high | 95 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -69 | -37.2 | 175.9 | -75.2 | -55.5 | 0 | 0 | 0 | 113.1 | A322 C389 I393 S517 A597 L598 L599 T604 M605 | A322-F601 HydrophobicContact CB-CD1 4.29Å; A322-F601 HydrophobicContact CB-CD2 4.11Å; A322-F601 HydrophobicContact CB-CE1 3.98Å; A322-F601 HydrophobicContact CB-CE2 3.8Å; A322-F601 HydrophobicContact CB-CG 4.33Å; A322-F601 HydrophobicContact CB-CZ 3.71Å; C389-F601 HydrophobicContact CB-CD1 3.88Å; C389-F601 HydrophobicContact CB-CD2 4.2Å; C389-F601 HydrophobicContact CB-CE1 3.71Å; C389-F601 HydrophobicContact CB-CE2 4.04Å; C389-F601 HydrophobicContact CB-CG 4.14Å; C389-F601 HydrophobicContact CB-CZ 3.81Å; I393-F601 HydrophobicContact CG1-CD2 3.94Å; I393-F601 HydrophobicContact CG1-CE2 3.92Å; S517-F601 VanDerWaalsContact OG-CZ 3.27Å; S517-F601 WeakPolarHBondContact OG-CZ 3.15Å; A597-F601 WeakPolarHBondContact O-CD2 3.38Å; A597-F601 PolarHBondContact O-N 2.87Å; L598-F601 PolarHBondContact O-N 2.91Å; L599-F601 PolarHBondContact O-N 3.4Å; F601-T604 WeakPolarHBondContact O-CB 3.26Å; F601-T604 PolarHBondContact O-N 3.1Å; F601-M605 PolarHBondContact O-N 2.04Å |
| 602 | L | 96.4 | Very high | 94.1 | Very high | 81 Ų | 81 | 54.1 Ų | 54.1 | 42% | 0.424 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 173.6 | -72.8 | 173.2 | 0 | 0 | 0 | 111.5 | T390 L598 L599 T604 M605 V606 | T390-L602 HydrophobicContact CG2-CD2 3.65Å; T390-L602 HydrophobicContact CG2-CG 4.25Å; L598-L602 HydrophobicContact CD1-CD1 4.25Å; L598-L602 HydrophobicContact CD1-CG 4.21Å; L598-L602 HydrophobicContact CG-CD1 3.95Å; L598-L602 HydrophobicContact CG-CG 4.35Å; L598-L602 WeakPolarHBondContact O-CB 3.11Å; L598-L602 VanDerWaalsContact O-CG 3.32Å; L598-L602 WeakPolarHBondContact O-CG 3.44Å; L598-L602 PolarHBondContact O-N 2.76Å; L599-L602 PolarHBondContact O-N 2.83Å; L602-T604 VanDerWaalsContact C-N 3.3Å; L602-T604 PolarHBondContact O-N 3.4Å; L602-M605 WeakPolarHBondContact O-CB 3.4Å; L602-M605 PolarHBondContact O-N 2.92Å; L602-V606 WeakPolarHBondContact O-CG2 3.28Å; L602-V606 PolarHBondContact O-N 2.04Å |
| 603 | L | 96.4 | Very high | 92.7 | Very high | 78 Ų | 78 | 51.2 Ų | 51.2 | 41% | 0.408 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.8 | -38.4 | 174.4 | -69.7 | 175.1 | 0 | 0 | 0 | 111.5 | L318 L599 C600 M605 V606 A607 | L318-L603 HydrophobicContact CD1-CB 3.89Å; L318-L603 HydrophobicContact CD2-CB 3.9Å; L318-L603 HydrophobicContact CD2-CD1 3.97Å; L599-L603 HydrophobicContact CD1-CD1 4.28Å; L599-L603 HydrophobicContact CD1-CG 4.29Å; L599-L603 HydrophobicContact CG-CD1 4.11Å; L599-L603 WeakPolarHBondContact O-CB 3.47Å; L599-L603 VanDerWaalsContact O-CG 3.27Å; L599-L603 WeakPolarHBondContact O-CG 3.01Å; L599-L603 PolarHBondContact O-N 3.2Å; C600-L603 PolarHBondContact O-N 2.79Å; L603-M605 VanDerWaalsContact C-N 3.34Å; L603-M605 PolarHBondContact O-N 3.23Å; L603-V606 PolarHBondContact O-N 3.04Å; L603-A607 WeakPolarHBondContact O-CB 3.44Å; L603-A607 PolarHBondContact O-N 3.27Å |
| 604 | T | 95.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -44.4 | 174 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | I315 L318 V319 M520 C600 F601 L602 V606 A607 L608 | I315-T604 HydrophobicContact CG2-CG2 4.16Å; L318-T604 VanDerWaalsContact CB-OG1 3.29Å; L318-T604 WeakPolarHBondContact CB-OG1 3.34Å; V319-T604 HydrophobicContact CG2-CG2 3.76Å; M520-T604 HydrophobicContact CE-CG2 3.74Å; C600-T604 WeakPolarHBondContact O-CB 3.01Å; C600-T604 PolarHBondContact O-N 2.85Å; C600-T604 PolarHBondContact O-OG1 3.31Å; F601-T604 WeakPolarHBondContact O-CB 3.26Å; F601-T604 PolarHBondContact O-N 3.1Å; L602-T604 VanDerWaalsContact C-N 3.3Å; L602-T604 PolarHBondContact O-N 3.4Å; T604-V606 VanDerWaalsContact C-N 3.35Å; T604-V606 PolarHBondContact O-N 3.05Å; T604-A607 PolarHBondContact O-N 2.86Å; T604-L608 HydrophobicContact CG2-CD1 3.92Å; T604-L608 HydrophobicContact CG2-CG 4.4Å; T604-L608 WeakPolarHBondContact O-CB 3.35Å; T604-L608 VanDerWaalsContact O-CG 3.3Å; T604-L608 WeakPolarHBondContact O-CG 3.42Å; T604-L608 PolarHBondContact O-N 3.38Å |
| 605 | M | 94.3 | Very high | 89.1 | Confident | 22 Ų | 22 | 62.4 Ų | 62.4 | 11% | 0.108 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.1 | -44.1 | 174.7 | -83 | -68.4 | -68.3 | 0 | 0 | 112 | S386 K387 F601 L602 L603 L608 R609 | S386-M605 WeakPolarHBondContact OG-CG 3.21Å; K387-M605 HydrophobicContact CD-CE 4.3Å; K387-M605 HydrophobicContact CG-CE 3.42Å; K387-M605 VanDerWaalsContact CG-CE 3.42Å; K387-M605 HydrophobicContact CG-SD 3.7Å; F601-M605 PolarHBondContact O-N 2.04Å; L602-M605 WeakPolarHBondContact O-CB 3.4Å; L602-M605 PolarHBondContact O-N 2.92Å; L603-M605 VanDerWaalsContact C-N 3.34Å; L603-M605 PolarHBondContact O-N 3.23Å; M605-L608 PolarHBondContact O-N 3.41Å; M605-R609 WeakPolarHBondContact O-CG 2.98Å; M605-R609 PolarHBondContact O-N 2.78Å |
| 606 | V | 94 | Very high | 86.7 | Confident | 66 Ų | 66 | 67.4 Ų | 67.4 | 40% | 0.4 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 176.6 | 173.6 | 0 | 0 | 0 | 0 | 111 | L602 L603 T604 L608 R609 R610 | L602-V606 WeakPolarHBondContact O-CG2 3.28Å; L602-V606 PolarHBondContact O-N 2.04Å; L603-V606 PolarHBondContact O-N 3.04Å; T604-V606 VanDerWaalsContact C-N 3.35Å; T604-V606 PolarHBondContact O-N 3.05Å; V606-L608 VanDerWaalsContact C-N 3.35Å; V606-L608 PolarHBondContact O-N 2.98Å; V606-R609 PolarHBondContact O-N 3.42Å; V606-R610 WeakPolarHBondContact O-CG 3.48Å; V606-R610 PolarHBondContact O-N 3.12Å |
| 607 | A | 93.1 | Very high | 84.1 | Confident | 21 Ų | 21 | 73.5 Ų | 73.5 | 17% | 0.174 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | I315 L603 T604 R610 R611 | I315-A607 HydrophobicContact CG1-CB 4.03Å; L603-A607 WeakPolarHBondContact O-CB 3.44Å; L603-A607 PolarHBondContact O-N 3.27Å; T604-A607 PolarHBondContact O-N 2.86Å; A607-R610 PolarHBondContact O-N 3.15Å; A607-R611 PolarHBondContact O-N 2.9Å; A607-R611 VanDerWaalsContact O-N 3.1Å |
| 608 | L | 91.4 | Very high | 81.5 | Confident | 17 Ų | 17 | 78.7 Ų | 78.7 | 9% | 0.089 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65.3 | -36.5 | 176 | -75.1 | 168.8 | 0 | 0 | 0 | 112.7 | I315 V382 R383 T604 M605 V606 A612 | I315-L608 HydrophobicContact CD1-CD2 3.66Å; I315-L608 HydrophobicContact CD1-CG 4.17Å; I315-L608 HydrophobicContact CG1-CD2 4.47Å; I315-L608 HydrophobicContact CG2-CD2 4.49Å; V382-L608 HydrophobicContact CG1-CD1 4.12Å; V382-L608 HydrophobicContact CG1-CD2 4.04Å; R383-L608 HydrophobicContact CG-CB 4.38Å; T604-L608 HydrophobicContact CG2-CD1 3.92Å; T604-L608 HydrophobicContact CG2-CG 4.4Å; T604-L608 WeakPolarHBondContact O-CB 3.35Å; T604-L608 VanDerWaalsContact O-CG 3.3Å; T604-L608 WeakPolarHBondContact O-CG 3.42Å; T604-L608 PolarHBondContact O-N 3.38Å; M605-L608 PolarHBondContact O-N 3.41Å; V606-L608 VanDerWaalsContact C-N 3.35Å; V606-L608 PolarHBondContact O-N 2.98Å; L608-A612 PolarHBondContact O-N 2.98Å |
| 609 | R | 89.8 | Confident | 78.7 | Confident | 170 Ų | 170 | 85.9 Ų | 85.9 | 64% | 0.642 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -68.5 | -43.4 | 174.6 | -74.3 | 179.4 | -173.4 | -171 | 3.5 | 111.9 | M605 V606 R611 A612 G613 | M605-R609 WeakPolarHBondContact O-CG 2.98Å; M605-R609 PolarHBondContact O-N 2.78Å; V606-R609 PolarHBondContact O-N 3.42Å; R609-R611 PolarHBondContact O-N 3.12Å; R609-A612 WeakPolarHBondContact O-CA 3.39Å; R609-A612 WeakPolarHBondContact O-CB 3.44Å; R609-A612 PolarHBondContact O-N 2.94Å; R609-A612 VanDerWaalsContact O-N 3.09Å; R609-G613 PolarHBondContact O-N 3.02Å |
| 610 | R | 88.6 | Confident | 75.6 | Confident | 193 Ų | 193 | 92.8 Ų | 92.8 | 73% | 0.728 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.8 | -42.4 | 178.1 | -72.9 | -176.7 | 179.7 | -177.1 | 0.3 | 112.2 | V606 A607 A612 G613 A614 | V606-R610 WeakPolarHBondContact O-CG 3.48Å; V606-R610 PolarHBondContact O-N 3.12Å; A607-R610 PolarHBondContact O-N 3.15Å; R610-A612 VanDerWaalsContact C-N 3.27Å; R610-A612 PolarHBondContact O-N 3.21Å; R610-G613 PolarHBondContact O-N 2.5Å; R610-A614 WeakPolarHBondContact O-CB 3.01Å; R610-A614 PolarHBondContact O-N 2.86Å |
| 611 | R | 84.6 | Confident | 72.6 | Confident | 140 Ų | 140 | 98.2 Ų | 98.2 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.7 | -33.1 | 173.3 | -74.5 | -167.3 | 179.9 | -170.6 | -2.9 | 112.9 | A607 R609 F615 | A607-R611 PolarHBondContact O-N 2.9Å; A607-R611 VanDerWaalsContact O-N 3.1Å; R609-R611 PolarHBondContact O-N 3.12Å; R611-F615 PolarHBondContact O-N 3.44Å |
| 612 | A | 77.6 | Confident | 69.4 | Low | 19 Ų | 19 | 106 Ų | 106 | 16% | 0.157 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -65 | -46.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R383 L608 R609 R610 F615 | R383-A612 VanDerWaalsContact CZ-CB 3.42Å; L608-A612 PolarHBondContact O-N 2.98Å; R609-A612 WeakPolarHBondContact O-CA 3.39Å; R609-A612 WeakPolarHBondContact O-CB 3.44Å; R609-A612 PolarHBondContact O-N 2.94Å; R609-A612 VanDerWaalsContact O-N 3.09Å; R610-A612 VanDerWaalsContact C-N 3.27Å; R610-A612 PolarHBondContact O-N 3.21Å; A612-F615 PolarHBondContact O-N 3.39Å |
| 613 | G | 68.3 | Low | 66.2 | Low | 30 Ų | 30 | 105.8 Ų | 105.8 | 31% | 0.309 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70 | -35.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | R609 R610 F615 Q616 L617 | R609-G613 PolarHBondContact O-N 3.02Å; R610-G613 PolarHBondContact O-N 2.5Å; G613-F615 VanDerWaalsContact C-N 3.28Å; G613-F615 PolarHBondContact O-N 3.12Å; G613-Q616 PolarHBondContact O-N 2.92Å; G613-Q616 VanDerWaalsContact O-N 3.09Å; G613-L617 PolarHBondContact O-N 3.32Å |
| 614 | A | 64.7 | Low | 62.8 | Low | 72 Ų | 72 | 112.6 Ų | 112.6 | 60% | 0.595 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.6 | -31 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R610 Q616 | R610-A614 WeakPolarHBondContact O-CB 3.01Å; R610-A614 PolarHBondContact O-N 2.86Å; A614-Q616 VanDerWaalsContact C-N 3.28Å; A614-Q616 PolarHBondContact O-N 3.22Å |
| 615 | F | 54.7 | Low | 59.5 | Low | 187 Ų | 187 | 122 Ų | 122 | 82% | 0.82 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -12 | 175.2 | -151.6 | -95.3 | 0 | 0 | 0 | 112.9 | R611 A612 G613 | R611-F615 PolarHBondContact O-N 3.44Å; A612-F615 PolarHBondContact O-N 3.39Å; G613-F615 VanDerWaalsContact C-N 3.28Å; G613-F615 PolarHBondContact O-N 3.12Å |
| 616 | Q | 46.6 | Very low | 56.2 | Low | 162 Ų | 162 | 130.5 Ų | 130.5 | 76% | 0.757 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -11.1 | 178.4 | -77.6 | 179.3 | -30 | 0 | 0 | 114.1 | G613 A614 | G613-Q616 PolarHBondContact O-N 2.92Å; G613-Q616 VanDerWaalsContact O-N 3.09Å; A614-Q616 VanDerWaalsContact C-N 3.28Å; A614-Q616 PolarHBondContact O-N 3.22Å |
| 617 | L | 43.6 | Very low | 53 | Low | 147 Ų | 147 | 135.1 Ų | 135.1 | 77% | 0.77 | 66% | 0.662 | S | S | * | * | trans | -102.1 | 82 | 165.8 | -87.4 | 98 | 0 | 0 | 0 | 108.9 | G613 | G613-L617 PolarHBondContact O-N 3.32Š| ||
| 618 | P | 41.9 | Very low | 49.7 | Very low | 108 Ų | 108 | 140.6 Ų | 140.6 | 70% | 0.701 | 69% | 0.693 | S | S | * | * | S | Bend | -146.4 | 101.7 | 99.7 | 32.2 | -13.2 | 0 | 0 | 0 | 111.6 | |||
| 619 | L | 39.1 | Very low | 46.5 | Very low | 173 Ų | 173 | 143 Ų | 143 | 91% | 0.906 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 178.2 | 51.8 | 159.6 | -99.8 | 160.7 | 0 | 0 | 0 | 109.6 | ||
| 620 | R | 33.4 | Very low | 43.3 | Very low | 246 Ų | 246 | 143.5 Ų | 143.5 | 93% | 0.928 | 73% | 0.732 | S | S | * | * | trans | -144.3 | 53.2 | 172.7 | -141.3 | -179 | -175.6 | -169.5 | 0.4 | 112.9 | ||||
| 621 | T | 34.7 | Very low | 40.2 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 80% | 0.798 | 74% | 0.735 | S | S | * | * | trans | -143.4 | 101.1 | 156.2 | 38.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 622 | N | 29.1 | Very low | 37.3 | Very low | 165 Ų | 165 | 142 Ų | 142 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | trans | -169.6 | 104.7 | 134 | -98.8 | -1.5 | 0 | 0 | 0 | 109.7 | ||||
| 623 | G | 29.3 | Very low | 34.7 | Very low | 76 Ų | 76 | 145.4 Ų | 145.4 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | trans | -91.2 | 117.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 624 | R | 24.7 | Very low | 32.8 | Very low | 220 Ų | 220 | 150.4 Ų | 150.4 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | 52.2 | 114.4 | 144.9 | -77.2 | -167.3 | 169 | 173.5 | -4.2 | 122.6 | ||||
| 625 | Y | 27 | Very low | 31 | Very low | 197 Ų | 197 | 155.5 Ų | 155.5 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | 61.2 | 119.5 | 135.7 | -60.5 | -70.7 | 0 | 0 | 0 | 122.3 | ||||
| 626 | E | 23.4 | Very low | 29.6 | Very low | 202 Ų | 202 | 156.7 Ų | 156.7 | 94% | 0.944 | 82% | 0.82 | S | S | * | * | -152 | 148.8 | 124.4 | -114.5 | 175.5 | 176.9 | 0 | 0 | 111.2 | |||||
| 627 | M | 26.6 | Very low | 28.6 | Very low | 162 Ų | 162 | 155.9 Ų | 155.9 | 80% | 0.798 | 82% | 0.816 | S | S | * | * | trans | -102.7 | 145.6 | -168.2 | -86.7 | -128.5 | -61.6 | 0 | 0 | 113.3 | ||||
| 628 | V | 25.1 | Very low | 27.7 | Very low | 136 Ų | 136 | 158.4 Ų | 158.4 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | trans | 57.8 | 127.1 | 139.5 | -175.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 629 | G | 23.5 | Very low | 27 | Very low | 68 Ų | 68 | 161.9 Ų | 161.9 | 70% | 0.701 | 83% | 0.829 | S | S | * | * | trans | 157.9 | 81.4 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 630 | E | 23.5 | Very low | 26.4 | Very low | 180 Ų | 180 | 158.1 Ų | 158.1 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | trans | 32.9 | 122.8 | 137.2 | -121 | 169.9 | 140.2 | 0 | 0 | 122.6 | ||||
| 631 | Q | 22.6 | Very low | 26.3 | Very low | 168 Ų | 168 | 152.8 Ų | 152.8 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | 166 | 124.5 | 109.1 | -95.2 | -179.6 | -4.9 | 0 | 0 | 115 | |||||
| 632 | T | 23.5 | Very low | 26 | Very low | 135 Ų | 135 | 155.9 Ų | 155.9 | 83% | 0.828 | 83% | 0.825 | S | S | * | * | trans | 64.2 | 136.2 | 143.9 | 45.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 633 | A | 24.1 | Very low | 25.9 | Very low | 90 Ų | 90 | 158 Ų | 158 | 74% | 0.744 | 83% | 0.826 | S | S | * | * | trans | -69.9 | 177.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 634 | P | 28.3 | Very low | 25.9 | Very low | 135 Ų | 135 | 162.2 Ų | 162.2 | 88% | 0.877 | 83% | 0.825 | S | S | * | * | -139.2 | 152.5 | 92.9 | 34.4 | -18.8 | 0 | 0 | 0 | 116.6 | |||||
| 635 | E | 25.7 | Very low | 26.1 | Very low | 178 Ų | 178 | 161.2 Ų | 161.2 | 83% | 0.832 | 83% | 0.83 | S | S | * | * | trans | -66.1 | 150.6 | 174.2 | -112.7 | 170.5 | 139.6 | 0 | 0 | 114.5 | ||||
| 636 | K | 26 | Very low | 26.2 | Very low | 213 Ų | 213 | 160.1 Ų | 160.1 | 93% | 0.926 | 83% | 0.83 | S | S | * | * | trans | -139.2 | 121.3 | 148.2 | -93.4 | -172 | 177.9 | -180 | 0 | 110.4 | ||||
| 637 | E | 24.9 | Very low | 26.4 | Very low | 144 Ų | 144 | 155.3 Ų | 155.3 | 67% | 0.673 | 82% | 0.824 | S | S | * | * | trans | -60.3 | 144.1 | 177 | -77.9 | 174.6 | 106.7 | 0 | 0 | 114.2 | K639 | E637-K639 WeakPolarHBondContact OE1-CE 3.33Å; E637-K639 IonicContact OE1-NZ 3.45Å; E637-K639 PolarHBondContact OE1-NZ 3.03Å | ||
| 638 | Q | 26.4 | Very low | 26.8 | Very low | 201 Ų | 201 | 153.6 Ų | 153.6 | 94% | 0.939 | 83% | 0.825 | S | S | * | * | trans | -148.1 | 114.9 | 139.1 | -119.7 | 169.3 | 2.4 | 0 | 0 | 110.4 | ||||
| 639 | K | 26.3 | Very low | 26.9 | Very low | 181 Ų | 181 | 155.3 Ų | 155.3 | 79% | 0.787 | 82% | 0.824 | S | S | * | * | trans | -75.2 | 140.9 | -177 | -77.3 | 169.6 | 174.1 | 157.4 | 0 | 112.4 | E637 | E637-K639 WeakPolarHBondContact OE1-CE 3.33Å; E637-K639 IonicContact OE1-NZ 3.45Å; E637-K639 PolarHBondContact OE1-NZ 3.03Å | ||
| 640 | A | 26.7 | Very low | 27.1 | Very low | 94 Ų | 94 | 160.6 Ų | 160.6 | 78% | 0.777 | 83% | 0.828 | S | S | * | * | trans | -108.3 | 143.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 641 | P | 31.6 | Very low | 27.3 | Very low | 134 Ų | 134 | 161.3 Ų | 161.3 | 87% | 0.87 | 83% | 0.831 | S | S | * | * | trans | -94.5 | 125.3 | 177.4 | 33.2 | -26.8 | 0 | 0 | 0 | 111.6 | ||||
| 642 | E | 27.1 | Very low | 27.6 | Very low | 195 Ų | 195 | 161.4 Ų | 161.4 | 91% | 0.911 | 83% | 0.832 | S | S | * | * | trans | -95.3 | 131.1 | 168.5 | -160.8 | 171.6 | -166.7 | 0 | 0 | 108.3 | ||||
| 643 | K | 28.4 | Very low | 28.1 | Very low | 209 Ų | 209 | 161.2 Ų | 161.2 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | -101.9 | 113.3 | 171.6 | -88.7 | -173.9 | 175.7 | -178.2 | 0 | 109.1 | ||||
| 644 | E | 28.7 | Very low | 29 | Very low | 164 Ų | 164 | 162.6 Ų | 162.6 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | trans | -58.2 | 143 | 164.5 | -80.4 | 176.6 | 107.6 | 0 | 0 | 111.8 | ||||
| 645 | Q | 28.5 | Very low | 29.1 | Very low | 199 Ų | 199 | 164.7 Ų | 164.7 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | trans | -131.5 | 100.2 | 159.5 | -138 | 167.9 | 12.2 | 0 | 0 | 108.9 | ||||
| 646 | K | 29.5 | Very low | 29.4 | Very low | 175 Ų | 175 | 165.6 Ų | 165.6 | 76% | 0.761 | 83% | 0.833 | S | S | * | * | trans | -86.2 | 139.3 | 165.8 | -83.9 | 175.5 | 177.7 | 164.1 | 0 | 109.3 | ||||
| 647 | A | 27.8 | Very low | 29.9 | Very low | 100 Ų | 100 | 165.6 Ų | 165.6 | 83% | 0.826 | 85% | 0.851 | S | S | * | * | trans | -82.7 | 149.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 648 | P | 34.6 | Very low | 30.1 | Very low | 126 Ų | 126 | 166.7 Ų | 166.7 | 82% | 0.818 | 86% | 0.86 | S | S | * | * | trans | -123.4 | 153.2 | 149.1 | 34.3 | -21.5 | 0 | 0 | 0 | 112.3 | ||||
| 649 | E | 26.9 | Very low | 30.3 | Very low | 172 Ų | 172 | 164.8 Ų | 164.8 | 80% | 0.804 | 86% | 0.856 | S | S | * | * | trans | -95 | 154.7 | 175.4 | -162.2 | -171.1 | 154.4 | 0 | 0 | 110.8 | ||||
| 650 | K | 27.8 | Very low | 30.6 | Very low | 180 Ų | 180 | 163.9 Ų | 163.9 | 78% | 0.783 | 86% | 0.86 | S | S | * | * | trans | 87 | 112.6 | 166.7 | -58.1 | -171 | 177.1 | -178.4 | 0 | 118.9 | ||||
| 651 | E | 27.4 | Very low | 30.8 | Very low | 195 Ų | 195 | 168.1 Ų | 168.1 | 91% | 0.911 | 87% | 0.865 | S | S | * | * | 169.2 | 152.9 | 89.2 | -161.9 | 159.3 | 178 | 0 | 0 | 111.4 | |||||
| 652 | Q | 30.1 | Very low | 30.8 | Very low | 170 Ų | 170 | 170.2 Ų | 170.2 | 79% | 0.794 | 86% | 0.864 | S | S | * | * | trans | -84.1 | 153.8 | -158.9 | -73.4 | 165.3 | -46.1 | 0 | 0 | 117.1 | ||||
| 653 | T | 33.2 | Very low | 31 | Very low | 131 Ų | 131 | 168.5 Ų | 168.5 | 80% | 0.804 | 86% | 0.861 | S | S | * | * | trans | 68.7 | 154.3 | 146.4 | 40.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 654 | P | 43.9 | Very low | 31.2 | Very low | 118 Ų | 118 | 165.6 Ų | 165.6 | 77% | 0.766 | 86% | 0.858 | S | S | * | * | cis | -136.6 | 153.9 | 25.2 | 38 | -18 | 0 | 0 | 0 | 119.2 | ||||
| 655 | M | 30.3 | Very low | 31.4 | Very low | 180 Ų | 180 | 165.8 Ų | 165.8 | 89% | 0.887 | 87% | 0.865 | S | S | * | * | 34.3 | 143.8 | 127.7 | -137.2 | 177.6 | -161.4 | 0 | 0 | 123.7 | |||||
| 656 | K | 31.7 | Very low | 31.6 | Very low | 197 Ų | 197 | 163 Ų | 163 | 86% | 0.857 | 86% | 0.859 | S | S | * | * | trans | 102.7 | 123.8 | 167.8 | -63.1 | 177.4 | 178.6 | 179.8 | 0 | 112.4 | ||||
| 657 | T | 36 | Very low | 31.8 | Very low | 212 Ų | 212 | 161.9 Ų | 161.9 | 100% | 1.301 | 87% | 0.868 | S | S | * | * | cis | -147.9 | 0 | 21.2 | -47.2 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 657 of 657 residues in 834 ms
(Link to these results)