| 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 | 45.7 | Very low | 46.3 | Very low | 247 Ų | 247 | 162.8 Ų | 162.8 | 100% | 1.217 | 83% | 0.827 | S | S | * | * | 0 | 126.9 | 0 | -150.6 | 166.7 | 160 | 0 | 0 | 106.6 | |||||
| 2 | K | 50.8 | Low | 45.9 | Very low | 194 Ų | 194 | 161.7 Ų | 161.7 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | 65.6 | 85.1 | -161.5 | -73.4 | -171.2 | 173.7 | -172.7 | 0 | 116.8 | ||||
| 3 | K | 43.4 | Very low | 46.5 | Very low | 203 Ų | 203 | 159.6 Ų | 159.6 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | -92.6 | 120.8 | 156 | -93.4 | 178.3 | 169.6 | 178.2 | 0 | 107 | ||||
| 4 | E | 51.4 | Low | 47.2 | Very low | 174 Ų | 174 | 162.6 Ų | 162.6 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -141.3 | 81.1 | 162.5 | -70.8 | -177 | -178 | 0 | 0 | 106.5 | ||||
| 5 | V | 59.5 | Low | 48.3 | Very low | 121 Ų | 121 | 154.7 Ų | 154.7 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | 63.3 | 110 | 104 | -177 | 0 | 0 | 0 | 0 | 112.3 | D7 | V5-D7 PolarHBondContact O-N 3.27Š| |||
| 6 | P | 46.2 | Very low | 50 | Low | 107 Ų | 107 | 148.5 Ų | 148.5 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | trans | -76.5 | 125.9 | 174.5 | 31.2 | -29 | 0 | 0 | 0 | 109 | K8 | P6-K8 PolarHBondContact O-N 3.13Š| ||
| 7 | D | 50.4 | Low | 51.8 | Low | 165 Ų | 165 | 150.6 Ų | 150.6 | 88% | 0.882 | 75% | 0.747 | S | S | * | * | trans | -59.2 | 89.2 | 165.7 | -81.8 | -31.2 | 0 | 0 | 0 | 109.1 | V5 A9 | V5-D7 PolarHBondContact O-N 3.27Å; D7-A9 PolarHBondContact O-N 2.88Å | ||
| 8 | K | 43.5 | Very low | 53.6 | Low | 190 Ų | 190 | 147.8 Ų | 147.8 | 83% | 0.826 | 73% | 0.73 | S | S | * | * | trans | -64.8 | 92.1 | 158.3 | -78.4 | -174.9 | 176.3 | -178.4 | 0 | 106 | P6 H10 | P6-K8 PolarHBondContact O-N 3.13Å; K8-H10 VanDerWaalsContact C-N 3.31Å; K8-H10 PolarHBondContact O-N 3.05Å | ||
| 9 | A | 39.9 | Very low | 55.2 | Low | 81 Ų | 81 | 140.1 Ų | 140.1 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | trans | -44.2 | 98.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | D7 N11 | D7-A9 PolarHBondContact O-N 2.88Å; A9-N11 PolarHBondContact O-N 2.88Å | ||
| 10 | H | 39.2 | Very low | 56.9 | Low | 159 Ų | 159 | 135.7 Ų | 135.7 | 74% | 0.736 | 67% | 0.671 | S | S | * | * | trans | -73.4 | 73.7 | 170.6 | -143.9 | 64 | 0 | 0 | 0 | 105.8 | K8 Q12 | K8-H10 VanDerWaalsContact C-N 3.31Å; K8-H10 PolarHBondContact O-N 3.05Å; H10-Q12 PolarHBondContact O-N 3.49Å | ||
| 11 | N | 39.4 | Very low | 58.4 | Low | 150 Ų | 150 | 131.4 Ų | 131.4 | 80% | 0.802 | 66% | 0.657 | S | S | * | * | trans | -67.8 | 72.9 | 162.8 | -85.6 | -12.1 | 0 | 0 | 0 | 106.9 | A9 I13 | A9-N11 PolarHBondContact O-N 2.88Å; N11-I13 VanDerWaalsContact C-N 3.34Å; N11-I13 PolarHBondContact O-N 2.78Å | ||
| 12 | Q | 41.6 | Very low | 60.5 | Low | 149 Ų | 149 | 121.3 Ų | 121.3 | 70% | 0.696 | 61% | 0.606 | S | S | * | * | trans | -58 | 106.3 | 158.2 | -96.8 | -179.9 | -14.6 | 0 | 0 | 105.6 | H10 K14 | H10-Q12 PolarHBondContact O-N 3.49Å; Q12-K14 PolarHBondContact O-N 3.45Å | ||
| 13 | I | 53.9 | Low | 62.5 | Low | 135 Ų | 135 | 112.2 Ų | 112.2 | 69% | 0.692 | 57% | 0.567 | S | S | * | * | trans | -53.6 | 99.7 | 161.3 | -61.9 | 171.1 | 0 | 0 | 0 | 104.7 | N11 S15 | N11-I13 VanDerWaalsContact C-N 3.34Å; N11-I13 PolarHBondContact O-N 2.78Å; I13-S15 PolarHBondContact O-N 2.88Å | ||
| 14 | K | 56.3 | Low | 64.9 | Low | 201 Ų | 201 | 106.6 Ų | 106.6 | 87% | 0.874 | 55% | 0.546 | S | S | * | . | trans | -69.5 | 89.1 | 174.6 | -130.3 | -175.7 | -175.1 | -178.5 | 0 | 104.9 | Q12 D16 | Q12-K14 PolarHBondContact O-N 3.45Å; K14-D16 PolarHBondContact O-N 3.18Å; K14-D16 VanDerWaalsContact O-N 3.1Å | ||
| 15 | S | 62.9 | Low | 66.9 | Low | 45 Ų | 45 | 104.2 Ų | 104.2 | 32% | 0.315 | 54% | 0.539 | S | S | . | . | trans | -46.1 | 118.4 | 174.4 | 151.2 | 0 | 0 | 0 | 0 | 108.2 | I13 Y17 | I13-S15 PolarHBondContact O-N 2.88Å; S15-Y17 WeakPolarHBondContact O-CD2 3.4Å; S15-Y17 PolarHBondContact O-N 3.47Å; S15-Y17 WeakPolarHBondContact OG-CD2 3.23Å; S15-Y17 WeakPolarHBondContact OG-CE1 3.47Å; S15-Y17 VanDerWaalsContact OG-CE2 3.28Å; S15-Y17 WeakPolarHBondContact OG-CE2 3.4Å; S15-Y17 VanDerWaalsContact OG-CZ 3.27Å | ||
| 16 | D | 76.6 | Confident | 68.4 | Low | 55 Ų | 55 | 99 Ų | 99 | 29% | 0.294 | 51% | 0.507 | S | S | . | . | trans | -75.4 | 72.3 | 176.7 | -173.4 | 3.8 | 0 | 0 | 0 | 110.1 | K14 F18 G19 N20 K131 | K14-D16 PolarHBondContact O-N 3.18Å; K14-D16 VanDerWaalsContact O-N 3.1Å; D16-F18 PolarHBondContact O-N 3.28Å; D16-F18 PolarHBondContact OD1-N 3.42Å; D16-G19 PolarHBondContact O-N 2.94Å; D16-G19 PolarHBondContact OD1-N 3.05Å; D16-N20 PolarHBondContact O-N 2.98Å; D16-K131 IonicContact OD1-NZ 2.58Å; D16-K131 PolarHBondContact OD1-NZ 2.95Å; D16-K131 IonicContact OD2-NZ 2.7Å; D16-K131 PolarHBondContact OD2-NZ 3.33Å | ||
| 17 | Y | 80.5 | Confident | 70.6 | Confident | 185 Ų | 185 | 93.9 Ų | 93.9 | 73% | 0.725 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -54.5 | -37.8 | -179.1 | -71.2 | -77.5 | 0 | 0 | 0 | 112.2 | S15 A21 | S15-Y17 WeakPolarHBondContact O-CD2 3.4Å; S15-Y17 PolarHBondContact O-N 3.47Å; S15-Y17 WeakPolarHBondContact OG-CD2 3.23Å; S15-Y17 WeakPolarHBondContact OG-CE1 3.47Å; S15-Y17 VanDerWaalsContact OG-CE2 3.28Å; S15-Y17 WeakPolarHBondContact OG-CE2 3.4Å; S15-Y17 VanDerWaalsContact OG-CZ 3.27Å; Y17-A21 WeakPolarHBondContact O-CB 3.43Å; Y17-A21 PolarHBondContact O-N 3.21Å |
| 18 | F | 82.7 | Confident | 72.8 | Confident | 99 Ų | 99 | 89.6 Ų | 89.6 | 43% | 0.434 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71.9 | -44.8 | -178.9 | -172.7 | -87 | 0 | 0 | 0 | 111.6 | D16 N20 A21 F22 V127 | D16-F18 PolarHBondContact O-N 3.28Å; D16-F18 PolarHBondContact OD1-N 3.42Å; F18-N20 VanDerWaalsContact C-N 3.32Å; F18-N20 PolarHBondContact O-N 3.34Å; F18-A21 PolarHBondContact O-N 3.21Å; F18-F22 WeakPolarHBondContact O-CB 3.41Å; F18-F22 PolarHBondContact O-N 3.31Å; F18-V127 HydrophobicContact CE1-CG1 3.81Å; F18-V127 HydrophobicContact CE1-CG2 4.26Å; F18-V127 HydrophobicContact CZ-CG1 4.48Å; F18-V127 HydrophobicContact CZ-CG2 4.12Å |
| 19 | G | 84.8 | Confident | 75.1 | Confident | 1 Ų | 1 | 85 Ų | 85 | 1% | 0.01 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -60 | -44.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | D16 F22 L23 | D16-G19 PolarHBondContact O-N 2.94Å; D16-G19 PolarHBondContact OD1-N 3.05Å; G19-F22 PolarHBondContact O-N 3.2Å; G19-L23 WeakPolarHBondContact O-CB 3.42Å; G19-L23 WeakPolarHBondContact O-CG 3.23Å; G19-L23 PolarHBondContact O-N 3.39Å |
| 20 | N | 88.5 | Confident | 77.7 | Confident | 52 Ų | 52 | 81.3 Ų | 81.3 | 28% | 0.278 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.5 | -41.4 | 178.1 | -69.4 | -8.9 | 0 | 0 | 0 | 112.2 | D16 F18 F22 L23 L24 L91 | D16-N20 PolarHBondContact O-N 2.98Å; F18-N20 VanDerWaalsContact C-N 3.32Å; F18-N20 PolarHBondContact O-N 3.34Å; N20-F22 VanDerWaalsContact C-N 3.34Å; N20-F22 PolarHBondContact O-N 3.02Å; N20-L23 PolarHBondContact O-N 3.01Å; N20-L24 VanDerWaalsContact O-CB 3.31Å; N20-L24 WeakPolarHBondContact O-CB 3.2Å; N20-L24 PolarHBondContact O-N 3.36Å; N20-L91 HydrophobicContact CB-CD2 4.32Å; N20-L91 WeakPolarHBondContact O-CD2 3.36Å |
| 21 | A | 89.9 | Confident | 80.3 | Confident | 46 Ų | 46 | 76.1 Ų | 76.1 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y17 F18 L24 L25 | Y17-A21 WeakPolarHBondContact O-CB 3.43Å; Y17-A21 PolarHBondContact O-N 3.21Å; F18-A21 PolarHBondContact O-N 3.21Å; A21-L24 PolarHBondContact O-N 3.32Å; A21-L25 WeakPolarHBondContact O-CB 3.35Å; A21-L25 VanDerWaalsContact O-CG 3.26Å; A21-L25 WeakPolarHBondContact O-CG 3.46Å; A21-L25 PolarHBondContact O-N 3.3Å |
| 22 | F | 89.7 | Confident | 82.9 | Confident | 35 Ų | 35 | 71 Ų | 71 | 15% | 0.154 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.5 | -51.4 | 175.4 | 170.8 | -97.1 | 0 | 0 | 0 | 111.7 | F18 G19 N20 L24 L25 D26 V102 L103 L124 | F18-F22 WeakPolarHBondContact O-CB 3.41Å; F18-F22 PolarHBondContact O-N 3.31Å; G19-F22 PolarHBondContact O-N 3.2Å; N20-F22 VanDerWaalsContact C-N 3.34Å; N20-F22 PolarHBondContact O-N 3.02Å; F22-L24 VanDerWaalsContact C-N 3.26Å; F22-L24 PolarHBondContact O-N 3.44Å; F22-L25 PolarHBondContact O-N 2.72Å; F22-D26 HydrophobicContact CE1-CB 4.36Å; F22-D26 HydrophobicContact CE2-CB 4.5Å; F22-D26 HydrophobicContact CZ-CB 4.18Å; F22-D26 VanDerWaalsContact O-CB 3.26Å; F22-D26 WeakPolarHBondContact O-CB 3.26Å; F22-D26 PolarHBondContact O-N 2.86Å; F22-V102 HydrophobicContact CE1-CB 4.18Å; F22-V102 HydrophobicContact CE1-CG1 3.77Å; F22-V102 HydrophobicContact CZ-CG1 4.21Å; F22-L103 HydrophobicContact CD1-CD2 4.12Å; F22-L103 HydrophobicContact CD1-CG 4.14Å; F22-L103 HydrophobicContact CD2-CD2 3.98Å; F22-L103 HydrophobicContact CE1-CD2 3.61Å; F22-L103 HydrophobicContact CE1-CG 3.62Å; F22-L103 HydrophobicContact CE2-CD2 3.46Å; F22-L103 VanDerWaalsContact CE2-CD2 3.46Å; F22-L103 HydrophobicContact CE2-CG 4.39Å; F22-L103 HydrophobicContact CG-CD2 4.3Å; F22-L103 HydrophobicContact CZ-CD2 3.26Å; F22-L103 HydrophobicContact CZ-CG 3.78Å; F22-L124 HydrophobicContact CE2-CD2 4.18Å; F22-L124 HydrophobicContact CZ-CD2 4.37Å |
| 23 | L | 92.1 | Very high | 85.3 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.1 | -36.9 | 179.7 | -74 | 176 | 0 | 0 | 0 | 112.3 | G19 N20 G27 W90 L91 C99 V102 | G19-L23 WeakPolarHBondContact O-CB 3.42Å; G19-L23 WeakPolarHBondContact O-CG 3.23Å; G19-L23 PolarHBondContact O-N 3.39Å; N20-L23 PolarHBondContact O-N 3.01Å; L23-G27 PolarHBondContact O-N 3.07Å; L23-W90 HydrophobicContact CD1-CB 4.07Å; L23-L91 HydrophobicContact CB-CD2 3.6Å; L23-L91 HydrophobicContact CB-CG 4.29Å; L23-C99 HydrophobicContact CD1-CB 4.33Å; L23-C99 HydrophobicContact CG-CB 4.43Å; L23-V102 HydrophobicContact CD2-CB 4.1Å; L23-V102 HydrophobicContact CD2-CG1 4.37Å; L23-V102 HydrophobicContact CD2-CG2 3.69Å |
| 24 | L | 93.9 | Very high | 87.1 | Confident | 85 Ų | 85 | 60.2 Ų | 60.2 | 45% | 0.445 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.2 | -47 | 178 | -179.9 | 63.9 | 0 | 0 | 0 | 110.8 | N20 A21 F22 G27 C28 L88 L91 | N20-L24 VanDerWaalsContact O-CB 3.31Å; N20-L24 WeakPolarHBondContact O-CB 3.2Å; N20-L24 PolarHBondContact O-N 3.36Å; A21-L24 PolarHBondContact O-N 3.32Å; F22-L24 VanDerWaalsContact C-N 3.26Å; F22-L24 PolarHBondContact O-N 3.44Å; L24-G27 PolarHBondContact O-N 2.86Å; L24-C28 VanDerWaalsContact O-CB 3.32Å; L24-C28 WeakPolarHBondContact O-CB 3.43Å; L24-C28 PolarHBondContact O-N 2.89Å; L24-C28 PolarHBondContact O-SG 2.85Å; L24-L88 HydrophobicContact CD1-CD2 4.12Å; L24-L91 HydrophobicContact CB-CD1 4.37Å; L24-L91 HydrophobicContact CB-CD2 3.95Å; L24-L91 HydrophobicContact CD1-CD1 3.96Å |
| 25 | L | 92.8 | Very high | 88.9 | Confident | 124 Ų | 124 | 53 Ų | 53 | 65% | 0.649 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65 | -45.7 | 178.6 | -71.2 | 172.8 | 0 | 0 | 0 | 111.5 | A21 F22 C28 L29 | A21-L25 WeakPolarHBondContact O-CB 3.35Å; A21-L25 VanDerWaalsContact O-CG 3.26Å; A21-L25 WeakPolarHBondContact O-CG 3.46Å; A21-L25 PolarHBondContact O-N 3.3Å; F22-L25 PolarHBondContact O-N 2.72Å; L25-C28 PolarHBondContact O-N 3.07Å; L25-L29 VanDerWaalsContact O-CB 3.24Å; L25-L29 WeakPolarHBondContact O-CB 3.46Å; L25-L29 PolarHBondContact O-N 3Å |
| 26 | D | 91.3 | Very high | 90.3 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 6% | 0.059 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 175 | -179.3 | 79.8 | 0 | 0 | 0 | 111 | F22 L29 F30 S87 V102 R106 | F22-D26 HydrophobicContact CE1-CB 4.36Å; F22-D26 HydrophobicContact CE2-CB 4.5Å; F22-D26 HydrophobicContact CZ-CB 4.18Å; F22-D26 VanDerWaalsContact O-CB 3.26Å; F22-D26 WeakPolarHBondContact O-CB 3.26Å; F22-D26 PolarHBondContact O-N 2.86Å; D26-L29 PolarHBondContact O-N 2.8Å; D26-F30 WeakPolarHBondContact O-CB 3.47Å; D26-F30 WeakPolarHBondContact O-CD2 3.28Å; D26-F30 PolarHBondContact O-N 3.14Å; D26-S87 PolarHBondContact OD2-OG 3.06Å; D26-V102 WeakPolarHBondContact OD2-CG1 3.24Å; D26-R106 WeakPolarHBondContact OD1-CD 3.36Å; D26-R106 IonicContact OD1-CZ 3.66Å; D26-R106 IonicContact OD1-NE 2.76Å; D26-R106 PolarHBondContact OD1-NE 3.14Å; D26-R106 IonicContact OD1-NH2 3.68Å; D26-R106 IonicContact OD2-CZ 3.53Å; D26-R106 IonicContact OD2-NE 3.41Å; D26-R106 PolarHBondContact OD2-NE 3.11Å; D26-R106 IonicContact OD2-NH2 2.82Å; D26-R106 PolarHBondContact OD2-NH2 3.1Å |
| 27 | G | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.8 | -52.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | L23 L24 L29 F30 V31 A84 | L23-G27 PolarHBondContact O-N 3.07Å; L24-G27 PolarHBondContact O-N 2.86Å; G27-L29 PolarHBondContact O-N 3.45Å; G27-F30 PolarHBondContact O-N 3.28Å; G27-V31 WeakPolarHBondContact O-CG2 3.39Å; G27-V31 PolarHBondContact O-N 3.45Å; G27-A84 WeakPolarHBondContact O-CB 3.28Å |
| 28 | C | 95.2 | Very high | 91.5 | Very high | 74 Ų | 74 | 43.7 Ų | 43.7 | 50% | 0.5 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 178.4 | -73.3 | 0 | 0 | 0 | 0 | 112.7 | L24 L25 V31 G32 | L24-C28 VanDerWaalsContact O-CB 3.32Å; L24-C28 WeakPolarHBondContact O-CB 3.43Å; L24-C28 PolarHBondContact O-N 2.89Å; L24-C28 PolarHBondContact O-SG 2.85Å; L25-C28 PolarHBondContact O-N 3.07Å; C28-V31 PolarHBondContact O-N 2.95Å; C28-G32 PolarHBondContact O-N 3.32Å |
| 29 | L | 93.3 | Very high | 91.9 | Very high | 93 Ų | 93 | 47 Ų | 47 | 49% | 0.487 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.9 | -49.5 | 176.9 | 177.8 | 65.1 | 0 | 0 | 0 | 110.7 | L25 D26 G27 V31 G32 I33 | L25-L29 VanDerWaalsContact O-CB 3.24Å; L25-L29 WeakPolarHBondContact O-CB 3.46Å; L25-L29 PolarHBondContact O-N 3Å; D26-L29 PolarHBondContact O-N 2.8Å; G27-L29 PolarHBondContact O-N 3.45Å; L29-V31 PolarHBondContact O-N 3.4Å; L29-G32 PolarHBondContact O-N 3.07Å; L29-G32 VanDerWaalsContact O-N 3.13Å; L29-I33 HydrophobicContact CD1-CD1 4.08Å; L29-I33 HydrophobicContact CD1-CG1 4.45Å; L29-I33 HydrophobicContact CG-CD1 3.95Å; L29-I33 WeakPolarHBondContact O-CG1 3.29Å; L29-I33 PolarHBondContact O-N 3.45Å |
| 30 | F | 92.8 | Very high | 92.2 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 2% | 0.022 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.8 | -33.3 | -178.5 | -85.3 | -126.2 | 0 | 0 | 0 | 112.2 | D26 G27 A34 F80 Q83 A84 Y195 | D26-F30 WeakPolarHBondContact O-CB 3.47Å; D26-F30 WeakPolarHBondContact O-CD2 3.28Å; D26-F30 PolarHBondContact O-N 3.14Å; G27-F30 PolarHBondContact O-N 3.28Å; F30-A34 WeakPolarHBondContact O-CB 3.24Å; F30-A34 PolarHBondContact O-N 3.35Å; F30-F80 HydrophobicContact CD1-CB 4.13Å; F30-F80 AromaticContact CD1-CD1 3.39Å; F30-F80 HydrophobicContact CD1-CD1 3.39Å; F30-F80 HydrophobicContact CD1-CE1 4.09Å; F30-F80 HydrophobicContact CD1-CG 4.1Å; F30-F80 AromaticContact CE1-CD1 3.28Å; F30-F80 HydrophobicContact CE1-CD1 3.28Å; F30-F80 AromaticContact CE1-CE1 3.53Å; F30-F80 HydrophobicContact CE1-CE1 3.53Å; F30-F80 HydrophobicContact CE1-CG 4.37Å; F30-F80 HydrophobicContact CG-CD1 4.39Å; F30-F80 HydrophobicContact CZ-CD1 4.21Å; F30-F80 HydrophobicContact CZ-CE1 4.08Å; F30-Q83 HydrophobicContact CD1-CB 4.05Å; F30-Q83 HydrophobicContact CE1-CB 4.45Å; F30-Q83 VanDerWaalsContact CE1-OE1 3.26Å; F30-A84 HydrophobicContact CB-CB 3.72Å; F30-Y195 HydrophobicContact CZ-CE1 4.48Å |
| 31 | V | 94.9 | Very high | 92.2 | Very high | 49 Ų | 49 | 46.5 Ų | 46.5 | 30% | 0.297 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.5 | -47.1 | 168.4 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | G27 C28 L29 I33 A34 C35 L81 A84 L88 | G27-V31 WeakPolarHBondContact O-CG2 3.39Å; G27-V31 PolarHBondContact O-N 3.45Å; C28-V31 PolarHBondContact O-N 2.95Å; L29-V31 PolarHBondContact O-N 3.4Å; V31-I33 PolarHBondContact O-N 2.89Å; V31-A34 PolarHBondContact O-N 2.89Å; V31-C35 WeakPolarHBondContact O-CB 3.43Å; V31-C35 PolarHBondContact O-N 2.87Å; V31-C35 PolarHBondContact O-SG 3.18Å; V31-C35 VanDerWaalsContact O-SG 3.34Å; V31-L81 HydrophobicContact CG2-CD1 4.5Å; V31-A84 HydrophobicContact CG2-CB 3.64Å; V31-L88 HydrophobicContact CG2-CD1 4.37Å |
| 32 | G | 93.6 | Very high | 92.1 | Very high | 43 Ų | 43 | 48.8 Ų | 48.8 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.6 | -49.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C28 L29 C35 A36 | C28-G32 PolarHBondContact O-N 3.32Å; L29-G32 PolarHBondContact O-N 3.07Å; L29-G32 VanDerWaalsContact O-N 3.13Å; G32-C35 PolarHBondContact O-N 3.35Å; G32-A36 PolarHBondContact O-N 3.15Å |
| 33 | I | 92.2 | Very high | 92.1 | Very high | 58 Ų | 58 | 56.7 Ų | 56.7 | 30% | 0.297 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 176.9 | -63.8 | 169.3 | 0 | 0 | 0 | 110.7 | L29 V31 A36 L37 F80 | L29-I33 HydrophobicContact CD1-CD1 4.08Å; L29-I33 HydrophobicContact CD1-CG1 4.45Å; L29-I33 HydrophobicContact CG-CD1 3.95Å; L29-I33 WeakPolarHBondContact O-CG1 3.29Å; L29-I33 PolarHBondContact O-N 3.45Å; V31-I33 PolarHBondContact O-N 2.89Å; I33-A36 PolarHBondContact O-N 2.68Å; I33-L37 HydrophobicContact CG2-CD1 3.78Å; I33-L37 HydrophobicContact CG2-CG 4.47Å; I33-L37 WeakPolarHBondContact O-CB 3.01Å; I33-L37 WeakPolarHBondContact O-CG 3.49Å; I33-L37 PolarHBondContact O-N 3.33Å; I33-F80 HydrophobicContact CB-CD2 4.5Å; I33-F80 HydrophobicContact CG2-CD2 3.57Å; I33-F80 HydrophobicContact CG2-CE2 3.62Å; I33-F80 HydrophobicContact CG2-CG 4.42Å |
| 34 | A | 92.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | F30 V31 A36 L37 I38 G77 F80 L81 | F30-A34 WeakPolarHBondContact O-CB 3.24Å; F30-A34 PolarHBondContact O-N 3.35Å; V31-A34 PolarHBondContact O-N 2.89Å; A34-A36 VanDerWaalsContact C-N 3.32Å; A34-A36 PolarHBondContact O-N 3.31Å; A34-L37 PolarHBondContact O-N 3.47Å; A34-I38 WeakPolarHBondContact O-CB 3.25Å; A34-I38 VanDerWaalsContact O-CG1 3.23Å; A34-I38 WeakPolarHBondContact O-CG1 3.41Å; A34-I38 PolarHBondContact O-N 3.41Å; A34-G77 WeakPolarHBondContact CB-O 3.47Å; A34-F80 HydrophobicContact CB-CB 3.95Å; A34-L81 HydrophobicContact CB-CB 3.84Å; A34-L81 HydrophobicContact CB-CD1 4.35Å |
| 35 | C | 93.4 | Very high | 91.4 | Very high | 48 Ų | 48 | 54.8 Ų | 54.8 | 32% | 0.324 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 177.2 | -74.9 | 0 | 0 | 0 | 0 | 111.5 | V31 G32 I38 F39 | V31-C35 WeakPolarHBondContact O-CB 3.43Å; V31-C35 PolarHBondContact O-N 2.87Å; V31-C35 PolarHBondContact O-SG 3.18Å; V31-C35 VanDerWaalsContact O-SG 3.34Å; G32-C35 PolarHBondContact O-N 3.35Å; C35-I38 PolarHBondContact O-N 3.24Å; C35-F39 HydrophobicContact CB-CD2 4.17Å; C35-F39 HydrophobicContact CB-CE2 4.46Å; C35-F39 WeakPolarHBondContact O-CB 3.41Å; C35-F39 VanDerWaalsContact O-CD2 3.31Å; C35-F39 WeakPolarHBondContact O-CD2 3.44Å; C35-F39 PolarHBondContact O-N 3.3Å |
| 36 | A | 93 | Very high | 91 | Very high | 37 Ų | 37 | 50.4 Ų | 50.4 | 31% | 0.306 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G32 I33 A34 A40 L44 | G32-A36 PolarHBondContact O-N 3.15Å; I33-A36 PolarHBondContact O-N 2.68Å; A34-A36 VanDerWaalsContact C-N 3.32Å; A34-A36 PolarHBondContact O-N 3.31Å; A36-A40 CarbonylContact O-C 3.16Å; A36-A40 WeakPolarHBondContact O-CA 3.49Å; A36-A40 PolarHBondContact O-N 3.28Å; A36-L44 HydrophobicContact CB-CD2 3.96Å |
| 37 | L | 91.2 | Very high | 90.7 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.037 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67 | -33.1 | 177 | -76.9 | 166.8 | 0 | 0 | 0 | 113.4 | I33 A34 P41 L44 A73 L76 F80 | I33-L37 HydrophobicContact CG2-CD1 3.78Å; I33-L37 HydrophobicContact CG2-CG 4.47Å; I33-L37 WeakPolarHBondContact O-CB 3.01Å; I33-L37 WeakPolarHBondContact O-CG 3.49Å; I33-L37 PolarHBondContact O-N 3.33Å; A34-L37 PolarHBondContact O-N 3.47Å; L37-P41 WeakPolarHBondContact O-CB 3.21Å; L37-L44 HydrophobicContact CB-CD2 4.35Å; L37-L44 HydrophobicContact CD2-CD2 3.43Å; L37-L44 VanDerWaalsContact CD2-CD2 3.43Å; L37-L44 HydrophobicContact CD2-CG 4.49Å; L37-L44 HydrophobicContact CG-CD2 3.52Å; L37-A73 WeakPolarHBondContact CB-O 3.38Å; L37-A73 HydrophobicContact CD2-CB 3.74Å; L37-L76 HydrophobicContact CD1-CB 4.4Å; L37-L76 HydrophobicContact CD1-CD2 4.26Å; L37-L76 HydrophobicContact CD1-CG 4.18Å; L37-F80 HydrophobicContact CD1-CD2 3.52Å; L37-F80 HydrophobicContact CD1-CE2 3.7Å |
| 38 | I | 90.6 | Very high | 90.1 | Very high | 47 Ų | 47 | 55.2 Ų | 55.2 | 24% | 0.241 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -79.8 | -51.2 | -178.3 | -70.2 | 167.7 | 0 | 0 | 0 | 111.6 | A34 C35 L81 | A34-I38 WeakPolarHBondContact O-CB 3.25Å; A34-I38 VanDerWaalsContact O-CG1 3.23Å; A34-I38 WeakPolarHBondContact O-CG1 3.41Å; A34-I38 PolarHBondContact O-N 3.41Å; C35-I38 PolarHBondContact O-N 3.24Å; I38-L81 HydrophobicContact CD1-CD2 4.31Å |
| 39 | F | 90.7 | Very high | 89.2 | Confident | 167 Ų | 167 | 51.8 Ų | 51.8 | 73% | 0.732 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -92.6 | -27.6 | -169.9 | -63.8 | -66.8 | 0 | 0 | 0 | 113.7 | C35 | C35-F39 HydrophobicContact CB-CD2 4.17Å; C35-F39 HydrophobicContact CB-CE2 4.46Å; C35-F39 WeakPolarHBondContact O-CB 3.41Å; C35-F39 VanDerWaalsContact O-CD2 3.31Å; C35-F39 WeakPolarHBondContact O-CD2 3.44Å; C35-F39 PolarHBondContact O-N 3.3Å |
| 40 | A | 90.6 | Very high | 88.2 | Confident | 39 Ų | 39 | 50.1 Ų | 50.1 | 32% | 0.322 | 27% | 0.27 | S | S | . | . | trans | -130.5 | 46.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A36 Q42 R43 L44 | A36-A40 CarbonylContact O-C 3.16Å; A36-A40 WeakPolarHBondContact O-CA 3.49Å; A36-A40 PolarHBondContact O-N 3.28Å; A40-Q42 VanDerWaalsContact C-N 3.3Å; A40-Q42 PolarHBondContact O-N 2.58Å; A40-R43 PolarHBondContact O-N 3.42Å; A40-L44 PolarHBondContact O-N 3.45Å; A40-L44 VanDerWaalsContact O-N 3.09Å | ||
| 41 | P | 89.3 | Confident | 87.2 | Confident | 5 Ų | 5 | 58 Ų | 58 | 3% | 0.032 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.5 | -41.9 | -174.6 | 20.1 | -30.8 | 0 | 0 | 0 | 112.3 | L37 L44 M45 W70 A73 R74 | L37-P41 WeakPolarHBondContact O-CB 3.21Å; P41-L44 PolarHBondContact O-N 3.32Å; P41-M45 VanDerWaalsContact O-CB 3.23Å; P41-M45 WeakPolarHBondContact O-CB 3.42Å; P41-M45 WeakPolarHBondContact O-CG 3.28Å; P41-M45 PolarHBondContact O-N 3.27Å; P41-W70 HydrophobicContact CB-CB 3.91Å; P41-W70 HydrophobicContact CB-CG 4.41Å; P41-W70 HydrophobicContact CG-CB 3.99Å; P41-A73 HydrophobicContact CB-CB 3.85Å; P41-R74 HydrophobicContact CG-CG 4.25Å |
| 42 | Q | 88.7 | Confident | 86.1 | Confident | 94 Ų | 94 | 58.7 Ų | 58.7 | 44% | 0.439 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59 | -53.7 | 179.9 | -178.7 | -179.9 | 2.5 | 0 | 0 | 111.7 | A40 L44 M45 D46 W70 | A40-Q42 VanDerWaalsContact C-N 3.3Å; A40-Q42 PolarHBondContact O-N 2.58Å; Q42-L44 VanDerWaalsContact C-N 3.29Å; Q42-L44 PolarHBondContact O-N 2.79Å; Q42-M45 PolarHBondContact O-N 3.45Å; Q42-D46 WeakPolarHBondContact CG-OD2 3.24Å; Q42-D46 WeakPolarHBondContact O-CB 3.28Å; Q42-D46 VanDerWaalsContact O-CG 3.24Å; Q42-D46 PolarHBondContact O-N 3.4Å; Q42-W70 HydrophobicContact CB-CD2 4.22Å; Q42-W70 HydrophobicContact CB-CG 4.42Å; Q42-W70 HydrophobicContact CB-CZ2 4.05Å; Q42-W70 HydrophobicContact CG-CZ2 3.66Å |
| 43 | R | 87.8 | Confident | 85 | Confident | 201 Ų | 201 | 57.5 Ų | 57.5 | 76% | 0.758 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -60.3 | -41.4 | -178.9 | -69 | -173.8 | 177.9 | 177.8 | -0.4 | 111.9 | A40 T47 | A40-R43 PolarHBondContact O-N 3.42Å; R43-T47 VanDerWaalsContact O-CB 3.24Å; R43-T47 WeakPolarHBondContact O-CB 3.26Å; R43-T47 PolarHBondContact O-N 3.2Å; R43-T47 PolarHBondContact O-OG1 2.95Å |
| 44 | L | 87.5 | Confident | 83.9 | Confident | 42 Ų | 42 | 57.2 Ų | 57.2 | 22% | 0.22 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.9 | -46.2 | 179.6 | -176.1 | 63.9 | 0 | 0 | 0 | 111.2 | A36 L37 A40 P41 Q42 T47 L48 | A36-L44 HydrophobicContact CB-CD2 3.96Å; L37-L44 HydrophobicContact CB-CD2 4.35Å; L37-L44 HydrophobicContact CD2-CD2 3.43Å; L37-L44 VanDerWaalsContact CD2-CD2 3.43Å; L37-L44 HydrophobicContact CD2-CG 4.49Å; L37-L44 HydrophobicContact CG-CD2 3.52Å; A40-L44 PolarHBondContact O-N 3.45Å; A40-L44 VanDerWaalsContact O-N 3.09Å; P41-L44 PolarHBondContact O-N 3.32Å; Q42-L44 VanDerWaalsContact C-N 3.29Å; Q42-L44 PolarHBondContact O-N 2.79Å; L44-T47 PolarHBondContact O-N 2.96Å; L44-L48 HydrophobicContact CD1-CD1 3.9Å; L44-L48 HydrophobicContact CD1-CG 4.02Å; L44-L48 HydrophobicContact CD2-CD1 4.39Å; L44-L48 HydrophobicContact CG-CD1 3.76Å; L44-L48 HydrophobicContact CG-CG 4.26Å; L44-L48 WeakPolarHBondContact O-CB 3.24Å; L44-L48 VanDerWaalsContact O-CG 3.29Å; L44-L48 WeakPolarHBondContact O-CG 3.32Å; L44-L48 PolarHBondContact O-N 2.64Å |
| 45 | M | 85.1 | Confident | 82.7 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 3% | 0.034 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 179.6 | -70.1 | -51 | -57.1 | 0 | 0 | 111.7 | P41 Q42 T47 L48 L49 H69 A73 V188 | P41-M45 VanDerWaalsContact O-CB 3.23Å; P41-M45 WeakPolarHBondContact O-CB 3.42Å; P41-M45 WeakPolarHBondContact O-CG 3.28Å; P41-M45 PolarHBondContact O-N 3.27Å; Q42-M45 PolarHBondContact O-N 3.45Å; M45-T47 VanDerWaalsContact C-N 3.3Å; M45-T47 PolarHBondContact O-N 2.8Å; M45-L48 PolarHBondContact O-N 2.99Å; M45-L49 HydrophobicContact CB-CD1 4.47Å; M45-L49 HydrophobicContact CE-CD1 3.47Å; M45-L49 VanDerWaalsContact CE-CD1 3.47Å; M45-L49 HydrophobicContact CE-CD2 3.87Å; M45-L49 HydrophobicContact CE-CG 3.64Å; M45-L49 WeakPolarHBondContact O-CB 3.36Å; M45-L49 WeakPolarHBondContact O-CG 3.38Å; M45-L49 PolarHBondContact O-N 2.94Å; M45-H69 HydrophobicContact CE-CB 4.49Å; M45-H69 HydrophobicContact CG-CB 4.42Å; M45-A73 HydrophobicContact CG-CB 3.86Å; M45-A73 HydrophobicContact SD-CB 3.91Å; M45-V188 HydrophobicContact CE-CG2 3.39Å; M45-V188 HydrophobicContact SD-CG2 4.49Å |
| 46 | D | 84.9 | Confident | 81.4 | Confident | 32 Ų | 32 | 67.2 Ų | 67.2 | 17% | 0.171 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 174.7 | -67.3 | -21.2 | 0 | 0 | 0 | 110.9 | Q42 V50 S65 | Q42-D46 WeakPolarHBondContact CG-OD2 3.24Å; Q42-D46 WeakPolarHBondContact O-CB 3.28Å; Q42-D46 VanDerWaalsContact O-CG 3.24Å; Q42-D46 PolarHBondContact O-N 3.4Å; D46-V50 WeakPolarHBondContact O-CA 3.38Å; D46-V50 WeakPolarHBondContact O-CB 3.3Å; D46-V50 WeakPolarHBondContact O-CG2 3.46Å; D46-V50 PolarHBondContact O-N 3.38Å; D46-S65 VanDerWaalsContact OD1-CB 3.22Å; D46-S65 WeakPolarHBondContact OD1-CB 3.47Å; D46-S65 PolarHBondContact OD1-N 2.81Å; D46-S65 PolarHBondContact OD1-OG 3.21Å |
| 47 | T | 84.2 | Confident | 80.1 | Confident | 56 Ų | 56 | 68.6 Ų | 68.6 | 34% | 0.344 | 33% | 0.326 | S | S | . | . | I | π-helix | trans | -67.2 | -48.2 | 177.6 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | R43 L44 M45 R51 I52 | R43-T47 VanDerWaalsContact O-CB 3.24Å; R43-T47 WeakPolarHBondContact O-CB 3.26Å; R43-T47 PolarHBondContact O-N 3.2Å; R43-T47 PolarHBondContact O-OG1 2.95Å; L44-T47 PolarHBondContact O-N 2.96Å; M45-T47 VanDerWaalsContact C-N 3.3Å; M45-T47 PolarHBondContact O-N 2.8Å; T47-R51 WeakPolarHBondContact O-CA 3.45Å; T47-R51 WeakPolarHBondContact O-CB 3.14Å; T47-R51 PolarHBondContact O-N 2.81Å; T47-I52 PolarHBondContact O-N 2.79Å |
| 48 | L | 81.5 | Confident | 78.7 | Confident | 55 Ų | 55 | 74.9 Ų | 74.9 | 29% | 0.288 | 36% | 0.36 | S | S | . | . | I | π-helix | trans | -65.1 | -57.1 | -178.8 | -73.7 | 174.4 | 0 | 0 | 0 | 110.3 | L44 M45 I52 F53 | L44-L48 HydrophobicContact CD1-CD1 3.9Å; L44-L48 HydrophobicContact CD1-CG 4.02Å; L44-L48 HydrophobicContact CD2-CD1 4.39Å; L44-L48 HydrophobicContact CG-CD1 3.76Å; L44-L48 HydrophobicContact CG-CG 4.26Å; L44-L48 WeakPolarHBondContact O-CB 3.24Å; L44-L48 VanDerWaalsContact O-CG 3.29Å; L44-L48 WeakPolarHBondContact O-CG 3.32Å; L44-L48 PolarHBondContact O-N 2.64Å; M45-L48 PolarHBondContact O-N 2.99Å; L48-I52 HydrophobicContact CD2-CD1 3.68Å; L48-I52 WeakPolarHBondContact O-CB 3.28Å; L48-I52 PolarHBondContact O-N 3.42Å; L48-I52 VanDerWaalsContact O-N 3.14Å; L48-F53 HydrophobicContact CB-CD2 4.39Å; L48-F53 HydrophobicContact CB-CE2 4.5Å; L48-F53 VanDerWaalsContact O-CD2 3.29Å; L48-F53 WeakPolarHBondContact O-CD2 3.31Å; L48-F53 PolarHBondContact O-N 3.3Å |
| 49 | L | 75.9 | Confident | 77.4 | Confident | 2 Ų | 2 | 80.4 Ų | 80.4 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | I | π-helix | trans | -67.2 | -49.8 | -173.6 | -60.6 | 179.4 | 0 | 0 | 0 | 111.6 | M45 Q54 F62 | M45-L49 HydrophobicContact CB-CD1 4.47Å; M45-L49 HydrophobicContact CE-CD1 3.47Å; M45-L49 VanDerWaalsContact CE-CD1 3.47Å; M45-L49 HydrophobicContact CE-CD2 3.87Å; M45-L49 HydrophobicContact CE-CG 3.64Å; M45-L49 WeakPolarHBondContact O-CB 3.36Å; M45-L49 WeakPolarHBondContact O-CG 3.38Å; M45-L49 PolarHBondContact O-N 2.94Å; L49-Q54 PolarHBondContact O-N 3.35Å; L49-Q54 VanDerWaalsContact O-N 3.1Å; L49-F62 HydrophobicContact CB-CB 4.13Å; L49-F62 HydrophobicContact CB-CD1 3.78Å; L49-F62 HydrophobicContact CB-CG 4.16Å; L49-F62 HydrophobicContact CD1-CD1 4.49Å; L49-F62 HydrophobicContact CD2-CD1 3.63Å; L49-F62 HydrophobicContact CD2-CE1 3.63Å; L49-F62 HydrophobicContact CG-CD1 4.13Å; L49-F62 WeakPolarHBondContact O-CB 3.45Å; L49-F62 WeakPolarHBondContact O-CG 3.43Å |
| 50 | V | 71.3 | Confident | 76 | Confident | 58 Ų | 58 | 75.9 Ų | 75.9 | 35% | 0.352 | 36% | 0.364 | S | S | . | . | I | π-helix | trans | -82.5 | -35.9 | -172.4 | -174.4 | 0 | 0 | 0 | 0 | 112.4 | D46 Q54 | D46-V50 WeakPolarHBondContact O-CA 3.38Å; D46-V50 WeakPolarHBondContact O-CB 3.3Å; D46-V50 WeakPolarHBondContact O-CG2 3.46Å; D46-V50 PolarHBondContact O-N 3.38Å; V50-Q54 WeakPolarHBondContact O-CB 3.24Å |
| 51 | R | 71.8 | Confident | 74.6 | Confident | 170 Ų | 170 | 80 Ų | 80 | 64% | 0.642 | 38% | 0.381 | S | S | * | . | I | π-helix | trans | -99.7 | -38.8 | -174.6 | -54.1 | -176.2 | 177.7 | -174.1 | -3.7 | 113.7 | T47 D55 | T47-R51 WeakPolarHBondContact O-CA 3.45Å; T47-R51 WeakPolarHBondContact O-CB 3.14Å; T47-R51 PolarHBondContact O-N 2.81Å; R51-D55 VanDerWaalsContact O-CB 3.28Å; R51-D55 WeakPolarHBondContact O-CB 3.4Å |
| 52 | I | 72 | Confident | 73.6 | Confident | 65 Ų | 65 | 80.6 Ų | 80.6 | 33% | 0.333 | 38% | 0.383 | S | S | . | . | I | π-helix | trans | -90.6 | -54.8 | -174.2 | -64.5 | 168.5 | 0 | 0 | 0 | 109.3 | T47 L48 H56 | T47-I52 PolarHBondContact O-N 2.79Å; L48-I52 HydrophobicContact CD2-CD1 3.68Å; L48-I52 WeakPolarHBondContact O-CB 3.28Å; L48-I52 PolarHBondContact O-N 3.42Å; L48-I52 VanDerWaalsContact O-N 3.14Å; I52-H56 WeakPolarHBondContact O-CB 3.44Å; I52-H56 PolarHBondContact O-N 2.81Å; I52-H56 VanDerWaalsContact O-N 3.1Å; I52-H56 PolarHBondContact O-ND1 3.48Å |
| 53 | F | 71.1 | Confident | 72.7 | Confident | 18 Ų | 18 | 82.2 Ų | 82.2 | 8% | 0.079 | 39% | 0.391 | C | S | . | . | I | π-helix | trans | -74.3 | -43.6 | -173.5 | -80.4 | -80.9 | 0 | 0 | 0 | 112.9 | L48 D55 H56 F57 F62 L116 F187 | L48-F53 HydrophobicContact CB-CD2 4.39Å; L48-F53 HydrophobicContact CB-CE2 4.5Å; L48-F53 VanDerWaalsContact O-CD2 3.29Å; L48-F53 WeakPolarHBondContact O-CD2 3.31Å; L48-F53 PolarHBondContact O-N 3.3Å; F53-D55 PolarHBondContact O-N 2.86Å; F53-H56 PolarHBondContact O-N 2.98Å; F53-F57 AromaticContact CD1-CD2 3.67Å; F53-F57 HydrophobicContact CD1-CD2 3.67Å; F53-F57 AromaticContact CD1-CE2 3.95Å; F53-F57 HydrophobicContact CD1-CE2 3.95Å; F53-F57 HydrophobicContact CE1-CD2 4.31Å; F53-F57 HydrophobicContact CE1-CE2 4.15Å; F53-F57 CarbonylContact O-C 3.48Å; F53-F57 VanDerWaalsContact O-CA 3.31Å; F53-F57 WeakPolarHBondContact O-CA 3.19Å; F53-F57 WeakPolarHBondContact O-CB 3.34Å; F53-F57 PolarHBondContact O-N 2.93Å; F53-F62 HydrophobicContact CB-CD2 3.95Å; F53-F62 HydrophobicContact CB-CE2 3.46Å; F53-F62 VanDerWaalsContact CB-CE2 3.46Å; F53-F62 HydrophobicContact CB-CZ 3.84Å; F53-F62 HydrophobicContact CG-CE2 4.39Å; F53-F62 HydrophobicContact CG-CZ 4.35Å; F53-L116 HydrophobicContact CD1-CD1 4.36Å; F53-L116 HydrophobicContact CE1-CD1 3.28Å; F53-L116 HydrophobicContact CE1-CD2 4.45Å; F53-L116 HydrophobicContact CE1-CG 4.48Å; F53-L116 HydrophobicContact CZ-CD1 3.56Å; F53-L116 HydrophobicContact CZ-CD2 4.1Å; F53-F187 HydrophobicContact CD1-CZ 4.42Å; F53-F187 AromaticContact CE1-CE1 3.89Å; F53-F187 HydrophobicContact CE1-CE1 3.89Å; F53-F187 AromaticContact CE1-CE2 3.91Å; F53-F187 HydrophobicContact CE1-CE2 3.91Å; F53-F187 AromaticContact CE1-CZ 3.43Å; F53-F187 HydrophobicContact CE1-CZ 3.43Å; F53-F187 VanDerWaalsContact CE1-CZ 3.43Å; F53-F187 AromaticContact CE2-CE1 3.81Å; F53-F187 HydrophobicContact CE2-CE1 3.81Å; F53-F187 HydrophobicContact CE2-CZ 4.08Å; F53-F187 AromaticContact CZ-CE1 3.47Å; F53-F187 HydrophobicContact CZ-CE1 3.47Å; F53-F187 VanDerWaalsContact CZ-CE1 3.47Å; F53-F187 HydrophobicContact CZ-CE2 4.19Å; F53-F187 AromaticContact CZ-CZ 3.25Å; F53-F187 HydrophobicContact CZ-CZ 3.25Å |
| 54 | Q | 69.4 | Low | 72.1 | Confident | 52 Ų | 52 | 79 Ų | 79 | 24% | 0.243 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -57.8 | -47.9 | 174.9 | -166.6 | 76.1 | 11 | 0 | 0 | 111.4 | L49 V50 H56 F57 N58 F60 F62 | L49-Q54 PolarHBondContact O-N 3.35Å; L49-Q54 VanDerWaalsContact O-N 3.1Å; V50-Q54 WeakPolarHBondContact O-CB 3.24Å; Q54-H56 PolarHBondContact O-N 3.49Å; Q54-F57 CarbonylContact O-C 3.53Å; Q54-N58 PolarHBondContact O-N 3.16Å; Q54-N58 PolarHBondContact O-OD1 3.41Å; Q54-F60 PolarHBondContact OE1-O 2.74Å; Q54-F62 HydrophobicContact CB-CD2 4.45Å |
| 55 | D | 66.4 | Low | 71.9 | Confident | 114 Ų | 114 | 77.5 Ų | 77.5 | 61% | 0.61 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -68.3 | -34.1 | -176.4 | -71 | -4.4 | 0 | 0 | 0 | 112.7 | R51 F53 | R51-D55 VanDerWaalsContact O-CB 3.28Å; R51-D55 WeakPolarHBondContact O-CB 3.4Å; F53-D55 PolarHBondContact O-N 2.86Å |
| 56 | H | 66.5 | Low | 71.8 | Confident | 143 Ų | 143 | 79.4 Ų | 79.4 | 66% | 0.662 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -90.7 | -31.8 | -178.5 | -72.6 | 71 | 0 | 0 | 0 | 113.3 | I52 F53 Q54 | I52-H56 WeakPolarHBondContact O-CB 3.44Å; I52-H56 PolarHBondContact O-N 2.81Å; I52-H56 VanDerWaalsContact O-N 3.1Å; I52-H56 PolarHBondContact O-ND1 3.48Å; F53-H56 PolarHBondContact O-N 2.98Å; Q54-H56 PolarHBondContact O-N 3.49Å |
| 57 | F | 66 | Low | 71.8 | Confident | 67 Ų | 67 | 79.2 Ų | 79.2 | 29% | 0.294 | 40% | 0.396 | S | S | . | . | trans | -125.9 | 72.5 | -175.8 | -56 | -84.6 | 0 | 0 | 0 | 108.4 | F53 Q54 Q59 F60 G115 L116 | F53-F57 AromaticContact CD1-CD2 3.67Å; F53-F57 HydrophobicContact CD1-CD2 3.67Å; F53-F57 AromaticContact CD1-CE2 3.95Å; F53-F57 HydrophobicContact CD1-CE2 3.95Å; F53-F57 HydrophobicContact CE1-CD2 4.31Å; F53-F57 HydrophobicContact CE1-CE2 4.15Å; F53-F57 CarbonylContact O-C 3.48Å; F53-F57 VanDerWaalsContact O-CA 3.31Å; F53-F57 WeakPolarHBondContact O-CA 3.19Å; F53-F57 WeakPolarHBondContact O-CB 3.34Å; F53-F57 PolarHBondContact O-N 2.93Å; Q54-F57 CarbonylContact O-C 3.53Å; F57-Q59 PolarHBondContact O-N 3.25Å; F57-F60 HydrophobicContact CB-CD2 4.23Å; F57-F60 PolarHBondContact O-N 2.83Å; F57-G115 WeakPolarHBondContact CZ-O 3.37Å; F57-L116 HydrophobicContact CE2-CD1 3.89Å; F57-L116 HydrophobicContact CE2-CG 4.45Å; F57-L116 HydrophobicContact CZ-CD1 4.06Å | ||
| 58 | N | 61.8 | Low | 71.8 | Confident | 139 Ų | 139 | 77 Ų | 77 | 74% | 0.743 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 1.9 | 172.3 | -74.8 | -35.9 | 0 | 0 | 0 | 114.9 | Q54 | Q54-N58 PolarHBondContact O-N 3.16Å; Q54-N58 PolarHBondContact O-OD1 3.41Å |
| 59 | Q | 62.9 | Low | 72 | Confident | 163 Ų | 163 | 74.4 Ų | 74.4 | 76% | 0.762 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -20.9 | -178.3 | -170.1 | 171 | 2.2 | 0 | 0 | 113.6 | F57 | F57-Q59 PolarHBondContact O-N 3.25Š|
| 60 | F | 62.2 | Low | 72.6 | Confident | 71 Ų | 71 | 77 Ų | 77 | 31% | 0.311 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -112.8 | 135.8 | -177 | -64.9 | -71.6 | 0 | 0 | 0 | 110.4 | Q54 F57 F62 D183 | Q54-F60 PolarHBondContact OE1-O 2.74Å; F57-F60 HydrophobicContact CB-CD2 4.23Å; F57-F60 PolarHBondContact O-N 2.83Å; F60-F62 HydrophobicContact CB-CD2 3.77Å; F60-F62 HydrophobicContact CB-CE1 4.46Å; F60-F62 HydrophobicContact CB-CE2 3.24Å; F60-F62 HydrophobicContact CB-CZ 3.61Å; F60-F62 HydrophobicContact CD2-CE2 4.14Å; F60-F62 HydrophobicContact CD2-CZ 4.21Å; F60-F62 HydrophobicContact CG-CE2 4.01Å; F60-F62 HydrophobicContact CG-CZ 4.04Å; F60-F62 PolarHBondContact O-N 2.88Å; F60-D183 HydrophobicContact CB-CB 4.49Å; F60-D183 HydrophobicContact CD1-CB 3.72Å; F60-D183 HydrophobicContact CE1-CB 4.47Å |
| 61 | N | 60.4 | Low | 73.3 | Confident | 127 Ų | 127 | 75.6 Ų | 75.6 | 68% | 0.679 | 37% | 0.369 | S | S | * | . | trans | -87.5 | 87.8 | 174.5 | -76.8 | -38.7 | 0 | 0 | 0 | 109.5 | E63 | N61-E63 PolarHBondContact O-N 3.1Š| ||
| 62 | F | 68.8 | Low | 73.9 | Confident | 16 Ų | 16 | 67.9 Ų | 67.9 | 7% | 0.07 | 34% | 0.34 | C | S | . | . | trans | -79.2 | 111.7 | 176.6 | -68.6 | -77.5 | 0 | 0 | 0 | 110.8 | L49 F53 Q54 F60 S184 | L49-F62 HydrophobicContact CB-CB 4.13Å; L49-F62 HydrophobicContact CB-CD1 3.78Å; L49-F62 HydrophobicContact CB-CG 4.16Å; L49-F62 HydrophobicContact CD1-CD1 4.49Å; L49-F62 HydrophobicContact CD2-CD1 3.63Å; L49-F62 HydrophobicContact CD2-CE1 3.63Å; L49-F62 HydrophobicContact CG-CD1 4.13Å; L49-F62 WeakPolarHBondContact O-CB 3.45Å; L49-F62 WeakPolarHBondContact O-CG 3.43Å; F53-F62 HydrophobicContact CB-CD2 3.95Å; F53-F62 HydrophobicContact CB-CE2 3.46Å; F53-F62 VanDerWaalsContact CB-CE2 3.46Å; F53-F62 HydrophobicContact CB-CZ 3.84Å; F53-F62 HydrophobicContact CG-CE2 4.39Å; F53-F62 HydrophobicContact CG-CZ 4.35Å; Q54-F62 HydrophobicContact CB-CD2 4.45Å; F60-F62 HydrophobicContact CB-CD2 3.77Å; F60-F62 HydrophobicContact CB-CE1 4.46Å; F60-F62 HydrophobicContact CB-CE2 3.24Å; F60-F62 HydrophobicContact CB-CZ 3.61Å; F60-F62 HydrophobicContact CD2-CE2 4.14Å; F60-F62 HydrophobicContact CD2-CZ 4.21Å; F60-F62 HydrophobicContact CG-CE2 4.01Å; F60-F62 HydrophobicContact CG-CZ 4.04Å; F60-F62 PolarHBondContact O-N 2.88Å; F62-S184 VanDerWaalsContact CE1-CB 3.44Å | ||
| 63 | E | 69.3 | Low | 74.7 | Confident | 128 Ų | 128 | 64.8 Ų | 64.8 | 60% | 0.598 | 32% | 0.324 | S | S | * | . | P | Polyproline II helix | trans | -84.4 | 168.9 | 169.8 | -64.9 | 179.2 | 158 | 0 | 0 | 111.1 | N61 S65 N182 | N61-E63 PolarHBondContact O-N 3.1Å; E63-S65 PolarHBondContact O-N 2.5Å; E63-N182 PolarHBondContact OE2-ND2 3.34Å |
| 64 | L | 74.8 | Confident | 75.6 | Confident | 135 Ų | 135 | 69 Ų | 69 | 71% | 0.707 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 138.7 | 170.9 | -87.7 | 127.3 | 0 | 0 | 0 | 110.7 | ||
| 65 | S | 83.3 | Confident | 76.4 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 138.5 | -178.4 | 69.1 | 0 | 0 | 0 | 0 | 111 | D46 E63 W70 | D46-S65 VanDerWaalsContact OD1-CB 3.22Å; D46-S65 WeakPolarHBondContact OD1-CB 3.47Å; D46-S65 PolarHBondContact OD1-N 2.81Å; D46-S65 PolarHBondContact OD1-OG 3.21Å; E63-S65 PolarHBondContact O-N 2.5Å; S65-W70 PolarHBondContact O-NE1 3.32Å; S65-W70 PolarHBondContact OG-NE1 2.87Å |
| 66 | D | 83.9 | Confident | 77.5 | Confident | 48 Ų | 48 | 61.5 Ų | 61.5 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | trans | -106.7 | -176.5 | -179.7 | 72.8 | 1.7 | 0 | 0 | 0 | 112.2 | V68 H69 W70 F179 H185 | D66-V68 PolarHBondContact O-N 2.94Å; D66-V68 VanDerWaalsContact O-N 3.11Å; D66-V68 PolarHBondContact OD1-N 2.72Å; D66-H69 PolarHBondContact N-ND1 2.84Å; D66-H69 WeakPolarHBondContact O-CB 3.46Å; D66-H69 PolarHBondContact O-N 3.43Å; D66-H69 IonicContact OD1-CE1 3.79Å; D66-H69 IonicContact OD1-CG 3.6Å; D66-H69 PolarHBondContact OD1-N 3.47Å; D66-H69 IonicContact OD1-ND1 2.79Å; D66-H69 PolarHBondContact OD1-ND1 2.77Å; D66-W70 PolarHBondContact O-N 3.41Å; D66-W70 PolarHBondContact O-NE1 3.4Å; D66-F179 WeakPolarHBondContact OD2-CE2 3.38Å; D66-H185 IonicContact OD1-CE1 3.88Å; D66-H185 IonicContact OD1-NE2 3.15Å; D66-H185 PolarHBondContact OD1-NE2 2.95Å; D66-H185 VanDerWaalsContact OD1-NE2 3.15Å; D66-H185 IonicContact OD2-CE1 3.45Å; D66-H185 PolarHBondContact OD2-CE1 2.84Å; D66-H185 IonicContact OD2-NE2 3.23Å; D66-H185 PolarHBondContact OD2-NE2 3.5Å | ||
| 67 | G | 84.6 | Confident | 78.6 | Confident | 27 Ų | 27 | 54.7 Ų | 54.7 | 28% | 0.278 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.4 | -27.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H71 | G67-H71 WeakPolarHBondContact O-CB 3.29Å; G67-H71 PolarHBondContact O-N 3.27Å |
| 68 | V | 84 | Confident | 79.6 | Confident | 11 Ų | 11 | 52 Ų | 52 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -82.6 | -39.3 | 180 | 176.8 | 0 | 0 | 0 | 0 | 111.7 | D66 W70 H71 M72 V177 F179 F239 | D66-V68 PolarHBondContact O-N 2.94Å; D66-V68 VanDerWaalsContact O-N 3.11Å; D66-V68 PolarHBondContact OD1-N 2.72Å; V68-W70 PolarHBondContact O-N 2.87Å; V68-H71 WeakPolarHBondContact O-CB 3.36Å; V68-H71 PolarHBondContact O-N 3.49Å; V68-H71 VanDerWaalsContact O-N 3.11Å; V68-M72 HydrophobicContact CG1-CE 4.03Å; V68-M72 HydrophobicContact CG1-CG 4.31Å; V68-M72 HydrophobicContact CG1-SD 4.26Å; V68-M72 WeakPolarHBondContact O-CG 3.32Å; V68-M72 PolarHBondContact O-N 3.4Å; V68-V177 HydrophobicContact CG1-CG1 4.46Å; V68-V177 HydrophobicContact CG2-CG1 4.32Å; V68-F179 HydrophobicContact CB-CE1 4.06Å; V68-F179 HydrophobicContact CB-CZ 3.5Å; V68-F179 HydrophobicContact CG1-CZ 3.91Å; V68-F179 HydrophobicContact CG2-CD1 4.45Å; V68-F179 HydrophobicContact CG2-CE1 3.18Å; V68-F179 HydrophobicContact CG2-CE2 4.4Å; V68-F179 HydrophobicContact CG2-CZ 3.17Å; V68-F239 HydrophobicContact CG2-CE2 4.32Å; V68-F239 HydrophobicContact CG2-CZ 3.77Å |
| 69 | H | 86.5 | Confident | 80.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -52.9 | -45.7 | 166.4 | -70.7 | 95.2 | 0 | 0 | 0 | 111.3 | M45 D66 H71 M72 A73 S184 H185 | M45-H69 HydrophobicContact CE-CB 4.49Å; M45-H69 HydrophobicContact CG-CB 4.42Å; D66-H69 PolarHBondContact N-ND1 2.84Å; D66-H69 WeakPolarHBondContact O-CB 3.46Å; D66-H69 PolarHBondContact O-N 3.43Å; D66-H69 IonicContact OD1-CE1 3.79Å; D66-H69 IonicContact OD1-CG 3.6Å; D66-H69 PolarHBondContact OD1-N 3.47Å; D66-H69 IonicContact OD1-ND1 2.79Å; D66-H69 PolarHBondContact OD1-ND1 2.77Å; H69-H71 VanDerWaalsContact C-N 3.28Å; H69-H71 PolarHBondContact O-N 2.88Å; H69-M72 PolarHBondContact O-N 2.87Å; H69-A73 WeakPolarHBondContact O-CB 3.24Å; H69-A73 PolarHBondContact O-N 2.82Å; H69-S184 PolarHBondContact CE1-OG 3.45Å; H69-S184 WeakPolarHBondContact NE2-CB 3.48Å; H69-S184 PolarHBondContact NE2-OG 2.84Å; H69-H185 AromaticContact CE1-CD2 3.57Å; H69-H185 AromaticContact CE1-CE1 3.04Å; H69-H185 PolarHBondContact CE1-CE1 3.42Å; H69-H185 AromaticContact CE1-CG 3.63Å; H69-H185 AromaticContact CE1-ND1 3.3Å; H69-H185 PolarHBondContact CE1-ND1 2.79Å; H69-H185 VanDerWaalsContact CE1-ND1 3.3Å; H69-H185 AromaticContact CE1-NE2 3.2Å; H69-H185 PolarHBondContact CE1-NE2 2.85Å; H69-H185 AromaticContact ND1-CD2 3.78Å; H69-H185 AromaticContact ND1-CE1 3.54Å; H69-H185 AromaticContact ND1-NE2 3.26Å; H69-H185 PolarHBondContact ND1-NE2 3.38Å; H69-H185 AromaticContact NE2-CD2 3.85Å; H69-H185 AromaticContact NE2-CE1 3.88Å; H69-H185 AromaticContact NE2-CG 3.71Å; H69-H185 PolarHBondContact NE2-N 3.37Å; H69-H185 AromaticContact NE2-ND1 3.72Å; H69-H185 AromaticContact NE2-NE2 3.95Å |
| 70 | W | 88.4 | Confident | 82.3 | Confident | 56 Ų | 56 | 38.2 Ų | 38.2 | 21% | 0.212 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.3 | -33.6 | -179.5 | -50.2 | -18.3 | 0 | 0 | 0 | 112.3 | P41 Q42 S65 D66 V68 R74 | P41-W70 HydrophobicContact CB-CB 3.91Å; P41-W70 HydrophobicContact CB-CG 4.41Å; P41-W70 HydrophobicContact CG-CB 3.99Å; Q42-W70 HydrophobicContact CB-CD2 4.22Å; Q42-W70 HydrophobicContact CB-CG 4.42Å; Q42-W70 HydrophobicContact CB-CZ2 4.05Å; Q42-W70 HydrophobicContact CG-CZ2 3.66Å; S65-W70 PolarHBondContact O-NE1 3.32Å; S65-W70 PolarHBondContact OG-NE1 2.87Å; D66-W70 PolarHBondContact O-N 3.41Å; D66-W70 PolarHBondContact O-NE1 3.4Å; V68-W70 PolarHBondContact O-N 2.87Å; W70-R74 VanDerWaalsContact O-CG 3.27Å; W70-R74 WeakPolarHBondContact O-CG 3.25Å; W70-R74 PolarHBondContact O-N 3.32Å; W70-R74 PolarHBondContact O-NH1 3.43Å; W70-R74 VanDerWaalsContact O-NH1 3.1Å |
| 71 | H | 84.5 | Confident | 83.6 | Confident | 28 Ų | 28 | 38.3 Ų | 38.3 | 13% | 0.13 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.2 | -52.4 | 175.3 | -177.3 | 69.4 | 0 | 0 | 0 | 111.2 | G67 V68 H69 A73 R74 C75 A232 | G67-H71 WeakPolarHBondContact O-CB 3.29Å; G67-H71 PolarHBondContact O-N 3.27Å; V68-H71 WeakPolarHBondContact O-CB 3.36Å; V68-H71 PolarHBondContact O-N 3.49Å; V68-H71 VanDerWaalsContact O-N 3.11Å; H69-H71 VanDerWaalsContact C-N 3.28Å; H69-H71 PolarHBondContact O-N 2.88Å; H71-A73 VanDerWaalsContact C-N 3.29Å; H71-A73 PolarHBondContact O-N 3.32Å; H71-R74 WeakPolarHBondContact O-CB 3.15Å; H71-R74 PolarHBondContact O-N 3.32Å; H71-R74 VanDerWaalsContact O-N 3.07Å; H71-C75 PolarHBondContact O-N 3.46Å; H71-C75 PolarHBondContact O-SG 2.98Å; H71-A232 PolarHBondContact CE1-O 3.46Å; H71-A232 PolarHBondContact NE2-O 3.44Å |
| 72 | M | 86.2 | Confident | 85 | Confident | 9 Ų | 9 | 32.5 Ų | 32.5 | 4% | 0.044 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.6 | -39 | 178.2 | -66.5 | -175 | -60 | 0 | 0 | 112.2 | V68 H69 R74 C75 L76 L173 H185 V188 S189 | V68-M72 HydrophobicContact CG1-CE 4.03Å; V68-M72 HydrophobicContact CG1-CG 4.31Å; V68-M72 HydrophobicContact CG1-SD 4.26Å; V68-M72 WeakPolarHBondContact O-CG 3.32Å; V68-M72 PolarHBondContact O-N 3.4Å; H69-M72 PolarHBondContact O-N 2.87Å; M72-R74 VanDerWaalsContact C-N 3.34Å; M72-R74 PolarHBondContact O-N 3.06Å; M72-C75 WeakPolarHBondContact O-CB 3.44Å; M72-C75 PolarHBondContact O-N 2.94Å; M72-L76 PolarHBondContact O-N 2.65Å; M72-L173 HydrophobicContact SD-CD1 4.36Å; M72-L173 HydrophobicContact SD-CD2 4.03Å; M72-H185 HydrophobicContact CE-CB 4.12Å; M72-V188 HydrophobicContact CB-CG1 3.69Å; M72-V188 HydrophobicContact CE-CB 4.12Å; M72-V188 HydrophobicContact CE-CG1 4.21Å; M72-V188 HydrophobicContact SD-CG1 4.49Å; M72-S189 PolarHBondContact SD-OG 3.4Å; M72-S189 VanDerWaalsContact SD-OG 3.42Å |
| 73 | A | 88.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.8 | -47.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L37 P41 M45 H69 H71 C75 L76 G77 | L37-A73 WeakPolarHBondContact CB-O 3.38Å; L37-A73 HydrophobicContact CD2-CB 3.74Å; P41-A73 HydrophobicContact CB-CB 3.85Å; M45-A73 HydrophobicContact CG-CB 3.86Å; M45-A73 HydrophobicContact SD-CB 3.91Å; H69-A73 WeakPolarHBondContact O-CB 3.24Å; H69-A73 PolarHBondContact O-N 2.82Å; H71-A73 VanDerWaalsContact C-N 3.29Å; H71-A73 PolarHBondContact O-N 3.32Å; A73-C75 VanDerWaalsContact C-N 3.35Å; A73-C75 PolarHBondContact O-N 2.91Å; A73-L76 PolarHBondContact O-N 3.05Å; A73-G77 PolarHBondContact O-N 3.43Å |
| 74 | R | 88.4 | Confident | 87.2 | Confident | 105 Ų | 105 | 25.9 Ų | 25.9 | 40% | 0.396 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -62.6 | -39.6 | 175.7 | -68.3 | 178.9 | -169.2 | 101.7 | -6.4 | 112.3 | P41 W70 H71 M72 L76 G77 A78 | P41-R74 HydrophobicContact CG-CG 4.25Å; W70-R74 VanDerWaalsContact O-CG 3.27Å; W70-R74 WeakPolarHBondContact O-CG 3.25Å; W70-R74 PolarHBondContact O-N 3.32Å; W70-R74 PolarHBondContact O-NH1 3.43Å; W70-R74 VanDerWaalsContact O-NH1 3.1Å; H71-R74 WeakPolarHBondContact O-CB 3.15Å; H71-R74 PolarHBondContact O-N 3.32Å; H71-R74 VanDerWaalsContact O-N 3.07Å; M72-R74 VanDerWaalsContact C-N 3.34Å; M72-R74 PolarHBondContact O-N 3.06Å; R74-L76 VanDerWaalsContact C-N 3.33Å; R74-L76 PolarHBondContact O-N 2.88Å; R74-G77 PolarHBondContact O-N 3.13Å; R74-A78 WeakPolarHBondContact O-CB 3.48Å; R74-A78 PolarHBondContact O-N 3.43Å |
| 75 | C | 86.8 | Confident | 88 | Confident | 4 Ų | 4 | 21.4 Ų | 21.4 | 3% | 0.027 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.3 | -48.9 | 173.9 | -56 | 0 | 0 | 0 | 0 | 110.8 | H71 M72 A73 A78 V79 A232 F233 | H71-C75 PolarHBondContact O-N 3.46Å; H71-C75 PolarHBondContact O-SG 2.98Å; M72-C75 WeakPolarHBondContact O-CB 3.44Å; M72-C75 PolarHBondContact O-N 2.94Å; A73-C75 VanDerWaalsContact C-N 3.35Å; A73-C75 PolarHBondContact O-N 2.91Å; C75-A78 WeakPolarHBondContact O-CB 3.14Å; C75-A78 PolarHBondContact O-N 3.09Å; C75-V79 PolarHBondContact O-N 3.06Å; C75-V79 VanDerWaalsContact O-N 3.11Å; C75-A232 HydrophobicContact CB-CB 4.29Å; C75-A232 WeakPolarHBondContact SG-CB 3.31Å; C75-F233 HydrophobicContact CB-CE2 4.47Å |
| 76 | L | 89.1 | Confident | 88.4 | Confident | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.026 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.3 | -41 | 178.8 | -174.8 | 64.7 | 0 | 0 | 0 | 111.6 | L37 M72 A73 R74 A78 V79 F80 L191 Y195 | L37-L76 HydrophobicContact CD1-CB 4.4Å; L37-L76 HydrophobicContact CD1-CD2 4.26Å; L37-L76 HydrophobicContact CD1-CG 4.18Å; M72-L76 PolarHBondContact O-N 2.65Å; A73-L76 PolarHBondContact O-N 3.05Å; R74-L76 VanDerWaalsContact C-N 3.33Å; R74-L76 PolarHBondContact O-N 2.88Å; L76-A78 VanDerWaalsContact C-N 3.26Å; L76-A78 PolarHBondContact O-N 3.34Å; L76-V79 WeakPolarHBondContact O-CB 3.37Å; L76-V79 PolarHBondContact O-N 3.28Å; L76-V79 VanDerWaalsContact O-N 3.14Å; L76-F80 HydrophobicContact CD1-CE2 4.15Å; L76-F80 HydrophobicContact CD1-CZ 4.26Å; L76-F80 HydrophobicContact CD2-CE2 3.96Å; L76-F80 HydrophobicContact CD2-CZ 4.49Å; L76-F80 HydrophobicContact CG-CD2 4.08Å; L76-F80 HydrophobicContact CG-CE2 3.68Å; L76-F80 HydrophobicContact CG-CZ 4.26Å; L76-F80 WeakPolarHBondContact O-CD2 3.31Å; L76-F80 PolarHBondContact O-N 3.38Å; L76-L191 HydrophobicContact CD2-CD2 3.5Å; L76-L191 HydrophobicContact CD2-CG 3.94Å; L76-Y195 HydrophobicContact CD1-CD2 3.93Å |
| 77 | G | 90.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.7 | -37.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A34 A73 R74 F80 L81 | A34-G77 WeakPolarHBondContact CB-O 3.47Å; A73-G77 PolarHBondContact O-N 3.43Å; R74-G77 PolarHBondContact O-N 3.13Å; G77-F80 PolarHBondContact O-N 2.9Å; G77-L81 WeakPolarHBondContact O-CB 3.12Å; G77-L81 PolarHBondContact O-N 2.89Å |
| 78 | A | 87.6 | Confident | 89.2 | Confident | 10 Ų | 10 | 20 Ų | 20 | 8% | 0.083 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -68.6 | -36.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | R74 C75 L76 S82 L228 | R74-A78 WeakPolarHBondContact O-CB 3.48Å; R74-A78 PolarHBondContact O-N 3.43Å; C75-A78 WeakPolarHBondContact O-CB 3.14Å; C75-A78 PolarHBondContact O-N 3.09Å; L76-A78 VanDerWaalsContact C-N 3.26Å; L76-A78 PolarHBondContact O-N 3.34Å; A78-S82 PolarHBondContact O-N 3.42Å; A78-S82 VanDerWaalsContact O-N 3.1Å; A78-S82 PolarHBondContact O-OG 2.83Å; A78-L228 HydrophobicContact CB-CB 3.7Å; A78-L228 HydrophobicContact CB-CD1 3.84Å; A78-L228 HydrophobicContact CB-CD2 4.16Å; A78-L228 HydrophobicContact CB-CG 4.08Å |
| 79 | V | 88.8 | Confident | 89.6 | Confident | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.024 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.7 | -48.4 | 170.3 | 176.4 | 0 | 0 | 0 | 0 | 110.1 | C75 L76 L81 S82 Q83 F192 V225 | C75-V79 PolarHBondContact O-N 3.06Å; C75-V79 VanDerWaalsContact O-N 3.11Å; L76-V79 WeakPolarHBondContact O-CB 3.37Å; L76-V79 PolarHBondContact O-N 3.28Å; L76-V79 VanDerWaalsContact O-N 3.14Å; V79-L81 PolarHBondContact O-N 3.41Å; V79-S82 PolarHBondContact O-N 3.48Å; V79-Q83 WeakPolarHBondContact O-CG 3.42Å; V79-Q83 PolarHBondContact O-N 2.86Å; V79-F192 HydrophobicContact CG2-CD2 4.27Å; V79-F192 HydrophobicContact CG2-CE2 3.73Å; V79-V225 HydrophobicContact CG2-CG1 4.36Å |
| 80 | F | 91.5 | Very high | 89.9 | Confident | 9 Ų | 9 | 22.7 Ų | 22.7 | 4% | 0.039 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 178.2 | -72.7 | -40.7 | 0 | 0 | 0 | 113.3 | F30 I33 A34 L37 L76 G77 S82 Q83 A84 Y195 | F30-F80 HydrophobicContact CD1-CB 4.13Å; F30-F80 AromaticContact CD1-CD1 3.39Å; F30-F80 HydrophobicContact CD1-CD1 3.39Å; F30-F80 HydrophobicContact CD1-CE1 4.09Å; F30-F80 HydrophobicContact CD1-CG 4.1Å; F30-F80 AromaticContact CE1-CD1 3.28Å; F30-F80 HydrophobicContact CE1-CD1 3.28Å; F30-F80 AromaticContact CE1-CE1 3.53Å; F30-F80 HydrophobicContact CE1-CE1 3.53Å; F30-F80 HydrophobicContact CE1-CG 4.37Å; F30-F80 HydrophobicContact CG-CD1 4.39Å; F30-F80 HydrophobicContact CZ-CD1 4.21Å; F30-F80 HydrophobicContact CZ-CE1 4.08Å; I33-F80 HydrophobicContact CB-CD2 4.5Å; I33-F80 HydrophobicContact CG2-CD2 3.57Å; I33-F80 HydrophobicContact CG2-CE2 3.62Å; I33-F80 HydrophobicContact CG2-CG 4.42Å; A34-F80 HydrophobicContact CB-CB 3.95Å; L37-F80 HydrophobicContact CD1-CD2 3.52Å; L37-F80 HydrophobicContact CD1-CE2 3.7Å; L76-F80 HydrophobicContact CD1-CE2 4.15Å; L76-F80 HydrophobicContact CD1-CZ 4.26Å; L76-F80 HydrophobicContact CD2-CE2 3.96Å; L76-F80 HydrophobicContact CD2-CZ 4.49Å; L76-F80 HydrophobicContact CG-CD2 4.08Å; L76-F80 HydrophobicContact CG-CE2 3.68Å; L76-F80 HydrophobicContact CG-CZ 4.26Å; L76-F80 WeakPolarHBondContact O-CD2 3.31Å; L76-F80 PolarHBondContact O-N 3.38Å; G77-F80 PolarHBondContact O-N 2.9Å; F80-S82 VanDerWaalsContact C-N 3.3Å; F80-S82 PolarHBondContact O-N 3.43Å; F80-Q83 PolarHBondContact O-N 3.43Å; F80-A84 WeakPolarHBondContact O-CB 3.28Å; F80-A84 PolarHBondContact O-N 3.48Å; F80-Y195 HydrophobicContact CD1-CE1 4.5Å; F80-Y195 AromaticContact CE1-CD1 3.77Å; F80-Y195 HydrophobicContact CE1-CD1 3.77Å; F80-Y195 HydrophobicContact CE1-CD2 4.04Å; F80-Y195 AromaticContact CE1-CE1 3.43Å; F80-Y195 HydrophobicContact CE1-CE1 3.43Å; F80-Y195 VanDerWaalsContact CE1-CE1 3.43Å; F80-Y195 AromaticContact CE1-CE2 3.7Å; F80-Y195 HydrophobicContact CE1-CE2 3.7Å; F80-Y195 HydrophobicContact CE1-CG 4.08Å; F80-Y195 AromaticContact CE1-CZ 3.39Å; F80-Y195 HydrophobicContact CZ-CD1 4.48Å; F80-Y195 AromaticContact CZ-CD2 3.97Å; F80-Y195 HydrophobicContact CZ-CD2 3.97Å; F80-Y195 HydrophobicContact CZ-CE1 4.03Å; F80-Y195 AromaticContact CZ-CE2 3.43Å; F80-Y195 HydrophobicContact CZ-CE2 3.43Å; F80-Y195 VanDerWaalsContact CZ-CE2 3.43Å; F80-Y195 HydrophobicContact CZ-CG 4.46Å; F80-Y195 AromaticContact CZ-CZ 3.48Å; F80-Y195 VanDerWaalsContact CZ-CZ 3.48Å |
| 81 | L | 91.1 | Very high | 90.1 | Very high | 73 Ų | 73 | 21.8 Ų | 21.8 | 38% | 0.382 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 176.7 | -171.9 | 61.2 | 0 | 0 | 0 | 111.5 | V31 A34 I38 G77 V79 A84 A85 | V31-L81 HydrophobicContact CG2-CD1 4.5Å; A34-L81 HydrophobicContact CB-CB 3.84Å; A34-L81 HydrophobicContact CB-CD1 4.35Å; I38-L81 HydrophobicContact CD1-CD2 4.31Å; G77-L81 WeakPolarHBondContact O-CB 3.12Å; G77-L81 PolarHBondContact O-N 2.89Å; V79-L81 PolarHBondContact O-N 3.41Å; L81-A84 PolarHBondContact O-N 3.38Å; L81-A85 WeakPolarHBondContact O-CB 3.32Å; L81-A85 PolarHBondContact O-N 3.22Å |
| 82 | S | 89.5 | Confident | 90.3 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 4% | 0.035 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.8 | -40.5 | 177.5 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | A78 V79 F80 A85 V86 V225 L228 | A78-S82 PolarHBondContact O-N 3.42Å; A78-S82 VanDerWaalsContact O-N 3.1Å; A78-S82 PolarHBondContact O-OG 2.83Å; V79-S82 PolarHBondContact O-N 3.48Å; F80-S82 VanDerWaalsContact C-N 3.3Å; F80-S82 PolarHBondContact O-N 3.43Å; S82-A85 PolarHBondContact O-N 3.37Å; S82-V86 WeakPolarHBondContact O-CG2 3.4Å; S82-V86 PolarHBondContact O-N 3.1Å; S82-V86 VanDerWaalsContact O-N 3.09Å; S82-V225 PolarHBondContact OG-N 3.19Å; S82-L228 WeakPolarHBondContact OG-CD1 3.49Å |
| 83 | Q | 90.3 | Very high | 90.3 | Very high | 5 Ų | 5 | 31 Ų | 31 | 2% | 0.023 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.1 | -39.5 | 175.9 | -69.7 | -176.8 | 19.8 | 0 | 0 | 111.9 | F30 V79 F80 A85 V86 S87 T199 | F30-Q83 HydrophobicContact CD1-CB 4.05Å; F30-Q83 HydrophobicContact CE1-CB 4.45Å; F30-Q83 VanDerWaalsContact CE1-OE1 3.26Å; V79-Q83 WeakPolarHBondContact O-CG 3.42Å; V79-Q83 PolarHBondContact O-N 2.86Å; F80-Q83 PolarHBondContact O-N 3.43Å; Q83-A85 VanDerWaalsContact C-N 3.34Å; Q83-A85 PolarHBondContact O-N 2.83Å; Q83-V86 PolarHBondContact O-N 2.78Å; Q83-S87 PolarHBondContact O-N 3.01Å; Q83-S87 PolarHBondContact O-OG 2.94Å; Q83-T199 HydrophobicContact CG-CG2 4.48Å |
| 84 | A | 92.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | G27 F30 V31 F80 L81 V86 S87 L88 | G27-A84 WeakPolarHBondContact O-CB 3.28Å; F30-A84 HydrophobicContact CB-CB 3.72Å; V31-A84 HydrophobicContact CG2-CB 3.64Å; F80-A84 WeakPolarHBondContact O-CB 3.28Å; F80-A84 PolarHBondContact O-N 3.48Å; L81-A84 PolarHBondContact O-N 3.38Å; A84-V86 VanDerWaalsContact C-N 3.3Å; A84-V86 PolarHBondContact O-N 3.24Å; A84-S87 PolarHBondContact O-N 2.69Å; A84-L88 WeakPolarHBondContact O-CB 3.48Å; A84-L88 VanDerWaalsContact O-CG 3.32Å; A84-L88 WeakPolarHBondContact O-CG 3.22Å; A84-L88 PolarHBondContact O-N 2.66Å |
| 85 | A | 92.1 | Very high | 90.1 | Very high | 41 Ų | 41 | 32.9 Ų | 32.9 | 34% | 0.339 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | L81 S82 Q83 L88 M89 | L81-A85 WeakPolarHBondContact O-CB 3.32Å; L81-A85 PolarHBondContact O-N 3.22Å; S82-A85 PolarHBondContact O-N 3.37Å; Q83-A85 VanDerWaalsContact C-N 3.34Å; Q83-A85 PolarHBondContact O-N 2.83Å; A85-L88 PolarHBondContact O-N 3.16Å; A85-M89 HydrophobicContact CB-CE 4.13Å; A85-M89 VanDerWaalsContact O-CB 3.32Å; A85-M89 WeakPolarHBondContact O-CB 3.25Å; A85-M89 VanDerWaalsContact O-CE 3.28Å; A85-M89 WeakPolarHBondContact O-CE 3.46Å; A85-M89 VanDerWaalsContact O-CG 3.24Å; A85-M89 WeakPolarHBondContact O-CG 3.32Å; A85-M89 PolarHBondContact O-N 3.19Å |
| 86 | V | 92.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.1 | -49 | 174 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | S82 Q83 A84 L88 M89 W90 V217 W218 | S82-V86 WeakPolarHBondContact O-CG2 3.4Å; S82-V86 PolarHBondContact O-N 3.1Å; S82-V86 VanDerWaalsContact O-N 3.09Å; Q83-V86 PolarHBondContact O-N 2.78Å; A84-V86 VanDerWaalsContact C-N 3.3Å; A84-V86 PolarHBondContact O-N 3.24Å; V86-L88 PolarHBondContact O-N 3.06Å; V86-M89 PolarHBondContact O-N 2.99Å; V86-W90 HydrophobicContact CG1-CD2 3.86Å; V86-W90 HydrophobicContact CG1-CE3 3.44Å; V86-W90 VanDerWaalsContact CG1-CE3 3.44Å; V86-W90 HydrophobicContact CG1-CH2 3.41Å; V86-W90 VanDerWaalsContact CG1-CH2 3.41Å; V86-W90 HydrophobicContact CG1-CZ2 3.85Å; V86-W90 HydrophobicContact CG1-CZ3 3.2Å; V86-W90 PolarHBondContact O-N 2.61Å; V86-V217 HydrophobicContact CG1-CG1 4.45Å; V86-W218 HydrophobicContact CG1-CE3 4.5Å; V86-W218 HydrophobicContact CG2-CE3 4.35Å |
| 87 | S | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.7 | -44.9 | 178.2 | -62.7 | 0 | 0 | 0 | 0 | 112 | D26 Q83 A84 W90 L91 | D26-S87 PolarHBondContact OD2-OG 3.06Å; Q83-S87 PolarHBondContact O-N 3.01Å; Q83-S87 PolarHBondContact O-OG 2.94Å; A84-S87 PolarHBondContact O-N 2.69Å; S87-W90 PolarHBondContact O-N 3.45Å; S87-L91 PolarHBondContact O-N 3.35Å |
| 88 | L | 93.2 | Very high | 89.8 | Confident | 52 Ų | 52 | 33.4 Ų | 33.4 | 27% | 0.272 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -69.5 | -38.4 | 179.6 | -67.3 | 175.9 | 0 | 0 | 0 | 112.7 | L24 V31 A84 A85 V86 W90 L91 | L24-L88 HydrophobicContact CD1-CD2 4.12Å; V31-L88 HydrophobicContact CG2-CD1 4.37Å; A84-L88 WeakPolarHBondContact O-CB 3.48Å; A84-L88 VanDerWaalsContact O-CG 3.32Å; A84-L88 WeakPolarHBondContact O-CG 3.22Å; A84-L88 PolarHBondContact O-N 2.66Å; A85-L88 PolarHBondContact O-N 3.16Å; V86-L88 PolarHBondContact O-N 3.06Å; L88-W90 VanDerWaalsContact C-N 3.27Å; L88-W90 PolarHBondContact O-N 3.4Å; L88-L91 HydrophobicContact CB-CD1 4.49Å; L88-L91 HydrophobicContact CD2-CD1 3.8Å; L88-L91 VanDerWaalsContact O-CB 3.28Å; L88-L91 WeakPolarHBondContact O-CB 3.5Å; L88-L91 WeakPolarHBondContact O-CG 3.17Å; L88-L91 PolarHBondContact O-N 3.22Å |
| 89 | M | 92.6 | Very high | 89.8 | Confident | 67 Ų | 67 | 33.3 Ų | 33.3 | 33% | 0.33 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66.4 | -30.9 | 176 | -76.9 | -173.9 | -77 | 0 | 0 | 112.3 | A85 V86 L91 V217 | A85-M89 HydrophobicContact CB-CE 4.13Å; A85-M89 VanDerWaalsContact O-CB 3.32Å; A85-M89 WeakPolarHBondContact O-CB 3.25Å; A85-M89 VanDerWaalsContact O-CE 3.28Å; A85-M89 WeakPolarHBondContact O-CE 3.46Å; A85-M89 VanDerWaalsContact O-CG 3.24Å; A85-M89 WeakPolarHBondContact O-CG 3.32Å; A85-M89 PolarHBondContact O-N 3.19Å; V86-M89 PolarHBondContact O-N 2.99Å; M89-L91 VanDerWaalsContact C-N 3.27Å; M89-L91 PolarHBondContact O-N 3.14Å; M89-V217 HydrophobicContact CB-CB 4.42Å; M89-V217 HydrophobicContact CB-CG1 3.53Å; M89-V217 HydrophobicContact CB-CG2 3.96Å; M89-V217 HydrophobicContact CE-CG1 3.87Å; M89-V217 HydrophobicContact CG-CG1 4.42Å; M89-V217 HydrophobicContact SD-CG1 4.11Å; M89-V217 HydrophobicContact SD-CG2 4.22Å |
| 90 | W | 92.7 | Very high | 89.7 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 0% | 0.004 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -79.8 | -0.7 | 175.6 | -74.4 | -30.4 | 0 | 0 | 0 | 114.7 | L23 V86 S87 L88 W92 S93 C98 V102 Y202 Y209 D214 V217 W218 | L23-W90 HydrophobicContact CD1-CB 4.07Å; V86-W90 HydrophobicContact CG1-CD2 3.86Å; V86-W90 HydrophobicContact CG1-CE3 3.44Å; V86-W90 VanDerWaalsContact CG1-CE3 3.44Å; V86-W90 HydrophobicContact CG1-CH2 3.41Å; V86-W90 VanDerWaalsContact CG1-CH2 3.41Å; V86-W90 HydrophobicContact CG1-CZ2 3.85Å; V86-W90 HydrophobicContact CG1-CZ3 3.2Å; V86-W90 PolarHBondContact O-N 2.61Å; S87-W90 PolarHBondContact O-N 3.45Å; L88-W90 VanDerWaalsContact C-N 3.27Å; L88-W90 PolarHBondContact O-N 3.4Å; W90-W92 PolarHBondContact O-N 3.48Å; W90-S93 VanDerWaalsContact O-CB 3.26Å; W90-S93 WeakPolarHBondContact O-CB 3.47Å; W90-S93 PolarHBondContact O-N 3.35Å; W90-C98 HydrophobicContact CB-CB 4.14Å; W90-C98 HydrophobicContact CD2-CB 3.69Å; W90-C98 HydrophobicContact CE3-CB 4Å; W90-C98 HydrophobicContact CG-CB 3.76Å; W90-V102 HydrophobicContact CE3-CG2 3.6Å; W90-V102 HydrophobicContact CZ3-CG2 3.56Å; W90-Y202 AromaticContact CH2-CD1 3.55Å; W90-Y202 HydrophobicContact CH2-CD1 3.55Å; W90-Y202 AromaticContact CH2-CE1 3.95Å; W90-Y202 HydrophobicContact CH2-CE1 3.95Å; W90-Y202 HydrophobicContact CH2-CG 4.36Å; W90-Y202 AromaticContact CZ3-CD1 3.7Å; W90-Y202 HydrophobicContact CZ3-CD1 3.7Å; W90-Y202 AromaticContact CZ3-CE1 3.58Å; W90-Y202 HydrophobicContact CZ3-CE1 3.58Å; W90-Y209 HydrophobicContact CH2-CE2 4.16Å; W90-Y209 WeakPolarHBondContact CH2-OH 3.45Å; W90-Y209 AromaticContact CZ2-CE2 3.66Å; W90-Y209 HydrophobicContact CZ2-CE2 3.66Å; W90-Y209 AromaticContact CZ2-CZ 3.99Å; W90-D214 PolarHBondContact NE1-O 3.36Å; W90-V217 HydrophobicContact CD2-CG1 4.35Å; W90-V217 HydrophobicContact CG-CG1 4.24Å; W90-W218 HydrophobicContact CZ2-CB 4.08Å |
| 91 | L | 91.2 | Very high | 89.7 | Confident | 37 Ų | 37 | 33 Ų | 33 | 19% | 0.194 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -60.4 | -24.1 | 170.3 | -72.4 | 172.2 | 0 | 0 | 0 | 113.4 | N20 L23 L24 S87 L88 M89 | N20-L91 HydrophobicContact CB-CD2 4.32Å; N20-L91 WeakPolarHBondContact O-CD2 3.36Å; L23-L91 HydrophobicContact CB-CD2 3.6Å; L23-L91 HydrophobicContact CB-CG 4.29Å; L24-L91 HydrophobicContact CB-CD1 4.37Å; L24-L91 HydrophobicContact CB-CD2 3.95Å; L24-L91 HydrophobicContact CD1-CD1 3.96Å; S87-L91 PolarHBondContact O-N 3.35Å; L88-L91 HydrophobicContact CB-CD1 4.49Å; L88-L91 HydrophobicContact CD2-CD1 3.8Å; L88-L91 VanDerWaalsContact O-CB 3.28Å; L88-L91 WeakPolarHBondContact O-CB 3.5Å; L88-L91 WeakPolarHBondContact O-CG 3.17Å; L88-L91 PolarHBondContact O-N 3.22Å; M89-L91 VanDerWaalsContact C-N 3.27Å; M89-L91 PolarHBondContact O-N 3.14Å |
| 92 | W | 88.6 | Confident | 89.6 | Confident | 216 Ų | 216 | 29.5 Ų | 29.5 | 82% | 0.818 | 15% | 0.152 | S | C | * | . | G | 310 helix | trans | -97.4 | 8.9 | 176.4 | -58.4 | -67.5 | 0 | 0 | 0 | 113.1 | W90 | W90-W92 PolarHBondContact O-N 3.48Š|
| 93 | S | 87.7 | Confident | 89.5 | Confident | 14 Ų | 14 | 29.2 Ų | 29.2 | 10% | 0.098 | 15% | 0.151 | C | C | . | . | trans | -89 | 130.2 | 177.9 | -167.9 | 0 | 0 | 0 | 0 | 110.7 | W90 D95 C98 D214 | W90-S93 VanDerWaalsContact O-CB 3.26Å; W90-S93 WeakPolarHBondContact O-CB 3.47Å; W90-S93 PolarHBondContact O-N 3.35Å; S93-D95 PolarHBondContact OG-N 3Å; S93-C98 PolarHBondContact OG-SG 3.26Å; S93-D214 VanDerWaalsContact CB-OD1 3.24Å; S93-D214 WeakPolarHBondContact CB-OD1 3.47Å; S93-D214 PolarHBondContact OG-OD1 3.37Å; S93-D214 PolarHBondContact OG-OD2 3.01Å | ||
| 94 | D | 85.1 | Confident | 89.4 | Confident | 139 Ų | 139 | 30 Ų | 30 | 74% | 0.743 | 16% | 0.155 | S | C | * | . | trans | -87.1 | 9 | 169.5 | -63.2 | -45.1 | 0 | 0 | 0 | 112.2 | ||||
| 95 | D | 85.8 | Confident | 89.2 | Confident | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.032 | 16% | 0.155 | C | C | . | . | trans | -98.1 | 105.8 | -179.9 | -163.8 | 7.3 | 0 | 0 | 0 | 111.9 | S93 A97 C98 Y209 K210 | S93-D95 PolarHBondContact OG-N 3Å; D95-A97 PolarHBondContact O-N 3.16Å; D95-A97 PolarHBondContact OD1-N 2.9Å; D95-C98 VanDerWaalsContact O-CB 3.31Å; D95-C98 WeakPolarHBondContact O-CB 3.1Å; D95-C98 PolarHBondContact O-N 2.99Å; D95-Y209 VanDerWaalsContact OD2-CA 3.24Å; D95-Y209 WeakPolarHBondContact OD2-CA 3.3Å; D95-K210 HydrophobicContact CB-CD 4.2Å; D95-K210 HydrophobicContact CB-CG 4.48Å; D95-K210 WeakPolarHBondContact OD1-CE 3.38Å; D95-K210 IonicContact OD1-NZ 3.57Å; D95-K210 PolarHBondContact OD2-N 3.23Å | ||
| 96 | G | 84.4 | Confident | 89 | Confident | 19 Ų | 19 | 28.1 Ų | 28.1 | 20% | 0.196 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.5 | -19.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | C98 C99 S100 E134 | G96-C98 VanDerWaalsContact C-N 3.29Å; G96-C98 PolarHBondContact O-N 2.88Å; G96-C99 PolarHBondContact O-N 3.01Å; G96-S100 WeakPolarHBondContact O-CB 3.47Å; G96-S100 PolarHBondContact O-N 3.43Å; G96-S100 PolarHBondContact O-OG 3.13Å; G96-E134 WeakPolarHBondContact CA-OE2 3.44Å |
| 97 | A | 86.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.2 | -32.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D95 S101 Y209 | D95-A97 PolarHBondContact O-N 3.16Å; D95-A97 PolarHBondContact OD1-N 2.9Å; A97-S101 VanDerWaalsContact O-CB 3.29Å; A97-S101 WeakPolarHBondContact O-CB 3.3Å; A97-S101 PolarHBondContact O-N 2.96Å; A97-S101 PolarHBondContact O-OG 3.47Å; A97-Y209 HydrophobicContact CB-CD1 3.94Å; A97-Y209 HydrophobicContact CB-CE1 4.15Å |
| 98 | C | 89.5 | Confident | 88.2 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.5 | -52.3 | 177.1 | -66.3 | 0 | 0 | 0 | 0 | 110.7 | W90 S93 D95 G96 S100 S101 V102 | W90-C98 HydrophobicContact CB-CB 4.14Å; W90-C98 HydrophobicContact CD2-CB 3.69Å; W90-C98 HydrophobicContact CE3-CB 4Å; W90-C98 HydrophobicContact CG-CB 3.76Å; S93-C98 PolarHBondContact OG-SG 3.26Å; D95-C98 VanDerWaalsContact O-CB 3.31Å; D95-C98 WeakPolarHBondContact O-CB 3.1Å; D95-C98 PolarHBondContact O-N 2.99Å; G96-C98 VanDerWaalsContact C-N 3.29Å; G96-C98 PolarHBondContact O-N 2.88Å; C98-S100 PolarHBondContact O-N 3.01Å; C98-S101 WeakPolarHBondContact O-CB 3.36Å; C98-S101 PolarHBondContact O-N 2.93Å; C98-V102 PolarHBondContact O-N 3.49Å; C98-V102 VanDerWaalsContact O-N 3.09Å |
| 99 | C | 88.3 | Confident | 87.7 | Confident | 9 Ų | 9 | 28.8 Ų | 28.8 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.1 | -45.5 | 176.1 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | L23 G96 S101 V102 L103 | L23-C99 HydrophobicContact CD1-CB 4.33Å; L23-C99 HydrophobicContact CG-CB 4.43Å; G96-C99 PolarHBondContact O-N 3.01Å; C99-S101 PolarHBondContact O-N 2.92Å; C99-V102 PolarHBondContact O-N 3.24Å; C99-V102 VanDerWaalsContact O-N 3.13Å; C99-L103 PolarHBondContact O-N 2.88Å |
| 100 | S | 87.1 | Confident | 87.1 | Confident | 5 Ų | 5 | 26.4 Ų | 26.4 | 4% | 0.035 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.5 | -34.4 | 176 | -62.9 | 0 | 0 | 0 | 0 | 112.6 | G96 C98 T104 E134 R205 | G96-S100 WeakPolarHBondContact O-CB 3.47Å; G96-S100 PolarHBondContact O-N 3.43Å; G96-S100 PolarHBondContact O-OG 3.13Å; C98-S100 PolarHBondContact O-N 3.01Å; S100-T104 WeakPolarHBondContact O-CB 3.28Å; S100-T104 PolarHBondContact O-N 3.09Å; S100-T104 PolarHBondContact O-OG1 3.47Å; S100-E134 WeakPolarHBondContact CB-O 3.5Å; S100-E134 PolarHBondContact OG-N 3.27Å; S100-R205 PolarHBondContact O-NH1 3.46Å; S100-R205 VanDerWaalsContact O-NH1 3.16Å |
| 101 | S | 90 | Very high | 86.4 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -71.9 | -39.3 | 177.5 | -58.7 | 0 | 0 | 0 | 0 | 112.1 | A97 C98 C99 T104 S105 Y202 R205 Y209 | A97-S101 VanDerWaalsContact O-CB 3.29Å; A97-S101 WeakPolarHBondContact O-CB 3.3Å; A97-S101 PolarHBondContact O-N 2.96Å; A97-S101 PolarHBondContact O-OG 3.47Å; C98-S101 WeakPolarHBondContact O-CB 3.36Å; C98-S101 PolarHBondContact O-N 2.93Å; C99-S101 PolarHBondContact O-N 2.92Å; S101-T104 PolarHBondContact O-N 3.46Å; S101-S105 WeakPolarHBondContact O-CB 3.44Å; S101-S105 PolarHBondContact O-N 3.17Å; S101-Y202 WeakPolarHBondContact O-CE1 3.36Å; S101-R205 WeakPolarHBondContact OG-CD 3.48Å; S101-Y209 VanDerWaalsContact CB-OH 3.24Å; S101-Y209 WeakPolarHBondContact CB-OH 3.38Å; S101-Y209 PolarHBondContact OG-OH 3.26Å; S101-Y209 VanDerWaalsContact OG-OH 3.13Å |
| 102 | V | 90.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.2 | -52.6 | 172.3 | 178.8 | 0 | 0 | 0 | 0 | 110.1 | F22 L23 D26 W90 C98 C99 T104 S105 R106 Y202 | F22-V102 HydrophobicContact CE1-CB 4.18Å; F22-V102 HydrophobicContact CE1-CG1 3.77Å; F22-V102 HydrophobicContact CZ-CG1 4.21Å; L23-V102 HydrophobicContact CD2-CB 4.1Å; L23-V102 HydrophobicContact CD2-CG1 4.37Å; L23-V102 HydrophobicContact CD2-CG2 3.69Å; D26-V102 WeakPolarHBondContact OD2-CG1 3.24Å; W90-V102 HydrophobicContact CE3-CG2 3.6Å; W90-V102 HydrophobicContact CZ3-CG2 3.56Å; C98-V102 PolarHBondContact O-N 3.49Å; C98-V102 VanDerWaalsContact O-N 3.09Å; C99-V102 PolarHBondContact O-N 3.24Å; C99-V102 VanDerWaalsContact O-N 3.13Å; V102-T104 VanDerWaalsContact C-N 3.29Å; V102-T104 PolarHBondContact O-N 2.99Å; V102-S105 WeakPolarHBondContact O-CB 3.46Å; V102-S105 PolarHBondContact O-N 2.95Å; V102-S105 VanDerWaalsContact O-N 3.11Å; V102-R106 HydrophobicContact CG1-CG 4.34Å; V102-R106 WeakPolarHBondContact O-CG 3.46Å; V102-R106 PolarHBondContact O-N 2.86Å; V102-Y202 HydrophobicContact CB-CE1 4.32Å; V102-Y202 HydrophobicContact CG2-CE1 3.84Å |
| 103 | L | 87.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -54 | -45.3 | 178.2 | -74.2 | 163 | 0 | 0 | 0 | 112.5 | F22 C99 R106 L107 L124 V127 L128 | F22-L103 HydrophobicContact CD1-CD2 4.12Å; F22-L103 HydrophobicContact CD1-CG 4.14Å; F22-L103 HydrophobicContact CD2-CD2 3.98Å; F22-L103 HydrophobicContact CE1-CD2 3.61Å; F22-L103 HydrophobicContact CE1-CG 3.62Å; F22-L103 HydrophobicContact CE2-CD2 3.46Å; F22-L103 VanDerWaalsContact CE2-CD2 3.46Å; F22-L103 HydrophobicContact CE2-CG 4.39Å; F22-L103 HydrophobicContact CG-CD2 4.3Å; F22-L103 HydrophobicContact CZ-CD2 3.26Å; F22-L103 HydrophobicContact CZ-CG 3.78Å; C99-L103 PolarHBondContact O-N 2.88Å; L103-R106 PolarHBondContact O-N 2.88Å; L103-L107 WeakPolarHBondContact O-CB 3.19Å; L103-L107 PolarHBondContact O-N 2.93Å; L103-L124 HydrophobicContact CD2-CD2 3.5Å; L103-L124 VanDerWaalsContact CD2-CD2 3.5Å; L103-V127 HydrophobicContact CD1-CG1 3.59Å; L103-V127 HydrophobicContact CD2-CB 4.2Å; L103-V127 HydrophobicContact CD2-CG1 3.64Å; L103-V127 HydrophobicContact CG-CG1 4.29Å; L103-L128 HydrophobicContact CB-CD2 3.67Å; L103-L128 HydrophobicContact CB-CG 4.3Å; L103-L128 HydrophobicContact CD1-CD2 4.26Å |
| 104 | T | 86.8 | Confident | 83.5 | Confident | 20 Ų | 20 | 34.4 Ų | 34.4 | 12% | 0.123 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.4 | -38.9 | 180 | -50.8 | 0 | 0 | 0 | 0 | 111.7 | S100 S101 V102 R106 L107 Q108 F133 V201 R205 | S100-T104 WeakPolarHBondContact O-CB 3.28Å; S100-T104 PolarHBondContact O-N 3.09Å; S100-T104 PolarHBondContact O-OG1 3.47Å; S101-T104 PolarHBondContact O-N 3.46Å; V102-T104 VanDerWaalsContact C-N 3.29Å; V102-T104 PolarHBondContact O-N 2.99Å; T104-R106 VanDerWaalsContact C-N 3.34Å; T104-L107 PolarHBondContact O-N 2.99Å; T104-Q108 WeakPolarHBondContact O-CB 3.46Å; T104-Q108 PolarHBondContact O-N 2.98Å; T104-F133 WeakPolarHBondContact OG1-CE2 3.36Å; T104-V201 HydrophobicContact CG2-CG1 4.12Å; T104-V201 HydrophobicContact CG2-CG2 4.22Å; T104-R205 PolarHBondContact OG1-NH1 2.67Å; T104-R205 PolarHBondContact OG1-NH2 3.38Å |
| 105 | S | 88.7 | Confident | 82 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.7 | -45.1 | 174.8 | -171 | 0 | 0 | 0 | 0 | 110.9 | S101 V102 Q108 S109 A198 Y202 | S101-S105 WeakPolarHBondContact O-CB 3.44Å; S101-S105 PolarHBondContact O-N 3.17Å; V102-S105 WeakPolarHBondContact O-CB 3.46Å; V102-S105 PolarHBondContact O-N 2.95Å; V102-S105 VanDerWaalsContact O-N 3.11Å; S105-Q108 PolarHBondContact O-N 3.41Å; S105-S109 PolarHBondContact O-N 2.73Å; S105-S109 PolarHBondContact O-OG 3.18Å; S105-A198 WeakPolarHBondContact O-CB 3.33Å; S105-A198 VanDerWaalsContact OG-C 3.31Å; S105-A198 PolarHBondContact OG-O 2.96Å; S105-Y202 VanDerWaalsContact CB-CZ 3.45Å; S105-Y202 VanDerWaalsContact OG-CE2 3.28Å; S105-Y202 WeakPolarHBondContact OG-CE2 3.05Å |
| 106 | R | 86.9 | Confident | 80.5 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.9 | -50.3 | 174.8 | -61.7 | -64.1 | 170.8 | -99.5 | -0.1 | 111.7 | D26 V102 L103 T104 Q108 S109 L110 L124 Y202 | D26-R106 WeakPolarHBondContact OD1-CD 3.36Å; D26-R106 IonicContact OD1-CZ 3.66Å; D26-R106 IonicContact OD1-NE 2.76Å; D26-R106 PolarHBondContact OD1-NE 3.14Å; D26-R106 IonicContact OD1-NH2 3.68Å; D26-R106 IonicContact OD2-CZ 3.53Å; D26-R106 IonicContact OD2-NE 3.41Å; D26-R106 PolarHBondContact OD2-NE 3.11Å; D26-R106 IonicContact OD2-NH2 2.82Å; D26-R106 PolarHBondContact OD2-NH2 3.1Å; V102-R106 HydrophobicContact CG1-CG 4.34Å; V102-R106 WeakPolarHBondContact O-CG 3.46Å; V102-R106 PolarHBondContact O-N 2.86Å; L103-R106 PolarHBondContact O-N 2.88Å; T104-R106 VanDerWaalsContact C-N 3.34Å; R106-Q108 VanDerWaalsContact C-N 3.32Å; R106-Q108 PolarHBondContact O-N 3.26Å; R106-S109 PolarHBondContact O-N 2.98Å; R106-S109 VanDerWaalsContact O-N 3.13Å; R106-S109 PolarHBondContact O-OG 2.7Å; R106-L110 WeakPolarHBondContact O-CG 3.26Å; R106-L110 PolarHBondContact O-N 2.58Å; R106-L124 HydrophobicContact CB-CD1 3.69Å; R106-L124 HydrophobicContact CB-CD2 4.29Å; R106-Y202 PolarHBondContact NH1-OH 3.29Å |
| 107 | L | 83.6 | Confident | 79.2 | Confident | 17 Ų | 17 | 36 Ų | 36 | 9% | 0.089 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.7 | -45.6 | 179.3 | -178.2 | 66 | 0 | 0 | 0 | 111.5 | L103 T104 S109 L110 L111 C121 L124 L125 L128 | L103-L107 WeakPolarHBondContact O-CB 3.19Å; L103-L107 PolarHBondContact O-N 2.93Å; T104-L107 PolarHBondContact O-N 2.99Å; L107-S109 VanDerWaalsContact C-N 3.34Å; L107-S109 PolarHBondContact O-N 3.22Å; L107-L110 PolarHBondContact O-N 3.24Å; L107-L111 HydrophobicContact CD1-CG 4.47Å; L107-L111 HydrophobicContact CG-CD1 4.1Å; L107-L111 HydrophobicContact CG-CG 4.44Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 2.99Å; L107-C121 HydrophobicContact CD1-CB 3.97Å; L107-L124 HydrophobicContact CB-CB 4.41Å; L107-L124 HydrophobicContact CB-CD1 4.31Å; L107-L124 HydrophobicContact CD1-CB 4.26Å; L107-L125 HydrophobicContact CD1-CD2 4.46Å; L107-L125 HydrophobicContact CD1-CG 4.05Å; L107-L125 HydrophobicContact CD2-CD2 3.61Å; L107-L125 HydrophobicContact CD2-CG 4.08Å; L107-L128 HydrophobicContact CD2-CD1 3.58Å |
| 108 | Q | 84.7 | Confident | 78.1 | Confident | 50 Ų | 50 | 42.7 Ų | 42.7 | 23% | 0.234 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62 | -41.8 | 177.6 | -175.2 | 169.6 | -8.1 | 0 | 0 | 111.4 | T104 S105 R106 L110 L111 W112 A198 | T104-Q108 WeakPolarHBondContact O-CB 3.46Å; T104-Q108 PolarHBondContact O-N 2.98Å; S105-Q108 PolarHBondContact O-N 3.41Å; R106-Q108 VanDerWaalsContact C-N 3.32Å; R106-Q108 PolarHBondContact O-N 3.26Å; Q108-L110 VanDerWaalsContact C-N 3.32Å; Q108-L110 PolarHBondContact O-N 2.82Å; Q108-L111 PolarHBondContact O-N 3.46Å; Q108-W112 VanDerWaalsContact CG-NE1 3.34Å; Q108-W112 PolarHBondContact O-N 3.28Å; Q108-W112 VanDerWaalsContact O-N 3.16Å; Q108-A198 HydrophobicContact CB-CB 4.24Å; Q108-A198 HydrophobicContact CG-CB 4.31Å |
| 109 | S | 84.3 | Confident | 76.9 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.5 | -41.4 | 177.2 | 66 | 0 | 0 | 0 | 0 | 112.4 | S105 R106 L107 W112 I113 Y195 | S105-S109 PolarHBondContact O-N 2.73Å; S105-S109 PolarHBondContact O-OG 3.18Å; R106-S109 PolarHBondContact O-N 2.98Å; R106-S109 VanDerWaalsContact O-N 3.13Å; R106-S109 PolarHBondContact O-OG 2.7Å; L107-S109 VanDerWaalsContact C-N 3.34Å; L107-S109 PolarHBondContact O-N 3.22Å; S109-W112 PolarHBondContact O-N 3.38Å; S109-I113 WeakPolarHBondContact O-CD1 3.18Å; S109-I113 VanDerWaalsContact O-CG1 3.22Å; S109-I113 WeakPolarHBondContact O-CG1 3.41Å; S109-I113 PolarHBondContact O-N 3.5Å; S109-Y195 VanDerWaalsContact CB-CE1 3.45Å; S109-Y195 VanDerWaalsContact OG-CE1 3.31Å; S109-Y195 WeakPolarHBondContact OG-CE1 3.37Å |
| 110 | L | 78.8 | Confident | 75.8 | Confident | 17 Ų | 17 | 48.1 Ų | 48.1 | 9% | 0.089 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.7 | -39.4 | 179.6 | -65.1 | 173.4 | 0 | 0 | 0 | 112.7 | R106 L107 Q108 W112 I113 E114 L117 E120 C121 L124 | R106-L110 WeakPolarHBondContact O-CG 3.26Å; R106-L110 PolarHBondContact O-N 2.58Å; L107-L110 PolarHBondContact O-N 3.24Å; Q108-L110 VanDerWaalsContact C-N 3.32Å; Q108-L110 PolarHBondContact O-N 2.82Å; L110-W112 VanDerWaalsContact C-N 3.27Å; L110-W112 PolarHBondContact O-N 2.93Å; L110-I113 PolarHBondContact O-N 2.85Å; L110-E114 PolarHBondContact O-N 2.9Å; L110-L117 HydrophobicContact CD2-CB 4.18Å; L110-L117 HydrophobicContact CD2-CD1 4.2Å; L110-E120 HydrophobicContact CD1-CB 3.76Å; L110-E120 HydrophobicContact CD1-CG 3.67Å; L110-C121 WeakPolarHBondContact CB-SG 3.26Å; L110-L124 HydrophobicContact CD1-CD1 3.64Å |
| 111 | L | 78 | Confident | 74.9 | Confident | 105 Ų | 105 | 48.7 Ų | 48.7 | 55% | 0.55 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 175.6 | -74.9 | 172.5 | 0 | 0 | 0 | 111.3 | L107 Q108 I113 E114 | L107-L111 HydrophobicContact CD1-CG 4.47Å; L107-L111 HydrophobicContact CG-CD1 4.1Å; L107-L111 HydrophobicContact CG-CG 4.44Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 2.99Å; Q108-L111 PolarHBondContact O-N 3.46Å; L111-I113 VanDerWaalsContact C-N 3.26Å; L111-I113 PolarHBondContact O-N 3.34Å; L111-E114 WeakPolarHBondContact O-CG 3.39Å; L111-E114 PolarHBondContact O-N 3.31Å |
| 112 | W | 73.3 | Confident | 74.3 | Confident | 107 Ų | 107 | 53.4 Ų | 53.4 | 41% | 0.405 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.3 | -25.8 | 175.9 | -70.9 | 120.1 | 0 | 0 | 0 | 113.5 | Q108 S109 L110 E114 F166 A194 M197 | Q108-W112 VanDerWaalsContact CG-NE1 3.34Å; Q108-W112 PolarHBondContact O-N 3.28Å; Q108-W112 VanDerWaalsContact O-N 3.16Å; S109-W112 PolarHBondContact O-N 3.38Å; L110-W112 VanDerWaalsContact C-N 3.27Å; L110-W112 PolarHBondContact O-N 2.93Å; W112-E114 VanDerWaalsContact C-N 3.34Å; W112-F166 HydrophobicContact CB-CE2 4.23Å; W112-F166 HydrophobicContact CE3-CE1 4.42Å; W112-F166 WeakPolarHBondContact O-CE2 3.43Å; W112-F166 WeakPolarHBondContact O-CZ 3.26Å; W112-A194 HydrophobicContact CB-CB 3.58Å; W112-A194 HydrophobicContact CG-CB 4.42Å; W112-M197 HydrophobicContact CB-CE 4.37Å; W112-M197 HydrophobicContact CD2-CE 3.62Å; W112-M197 HydrophobicContact CE3-CE 4.01Å; W112-M197 HydrophobicContact CG-CE 3.75Å; W112-M197 HydrophobicContact CZ2-SD 4.4Å |
| 113 | I | 73.8 | Confident | 73.6 | Confident | 35 Ų | 35 | 58.9 Ų | 58.9 | 18% | 0.179 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -82 | -12.7 | -175.9 | -66.2 | 159.4 | 0 | 0 | 0 | 111.9 | S109 L110 L111 G115 L191 A194 Y195 | S109-I113 WeakPolarHBondContact O-CD1 3.18Å; S109-I113 VanDerWaalsContact O-CG1 3.22Å; S109-I113 WeakPolarHBondContact O-CG1 3.41Å; S109-I113 PolarHBondContact O-N 3.5Å; L110-I113 PolarHBondContact O-N 2.85Å; L111-I113 VanDerWaalsContact C-N 3.26Å; L111-I113 PolarHBondContact O-N 3.34Å; I113-G115 PolarHBondContact O-N 3.46Å; I113-L191 HydrophobicContact CD1-CD1 3.27Å; I113-L191 HydrophobicContact CG1-CD1 3.72Å; I113-A194 HydrophobicContact CG1-CB 3.96Å; I113-Y195 HydrophobicContact CD1-CE2 3.91Å |
| 114 | E | 60 | Low | 72.9 | Confident | 189 Ų | 189 | 59.2 Ų | 59.2 | 88% | 0.883 | 32% | 0.316 | S | S | * | . | trans | 40.1 | 0.3 | 178 | -79.2 | -155.1 | 158.4 | 0 | 0 | 119.5 | L110 L111 W112 | L110-E114 PolarHBondContact O-N 2.9Å; L111-E114 WeakPolarHBondContact O-CG 3.39Å; L111-E114 PolarHBondContact O-N 3.31Å; W112-E114 VanDerWaalsContact C-N 3.34Å | ||
| 115 | G | 54 | Low | 72.4 | Confident | 39 Ų | 39 | 61.4 Ų | 61.4 | 40% | 0.402 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -129.1 | -13.2 | -165.6 | 0 | 0 | 0 | 0 | 0 | 118 | F57 I113 | F57-G115 WeakPolarHBondContact CZ-O 3.37Å; I113-G115 PolarHBondContact O-N 3.46Å |
| 116 | L | 53.5 | Low | 72.1 | Confident | 81 Ų | 81 | 65.5 Ų | 65.5 | 42% | 0.424 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -126.8 | -25.1 | -168.3 | -97.5 | 100.7 | 0 | 0 | 0 | 119.7 | F53 F57 | F53-L116 HydrophobicContact CD1-CD1 4.36Å; F53-L116 HydrophobicContact CE1-CD1 3.28Å; F53-L116 HydrophobicContact CE1-CD2 4.45Å; F53-L116 HydrophobicContact CE1-CG 4.48Å; F53-L116 HydrophobicContact CZ-CD1 3.56Å; F53-L116 HydrophobicContact CZ-CD2 4.1Å; F57-L116 HydrophobicContact CE2-CD1 3.89Å; F57-L116 HydrophobicContact CE2-CG 4.45Å; F57-L116 HydrophobicContact CZ-CD1 4.06Å |
| 117 | L | 57 | Low | 71.5 | Confident | 79 Ų | 79 | 66.1 Ų | 66.1 | 41% | 0.414 | 36% | 0.358 | S | S | . | . | trans | -144.1 | 64 | -171.8 | -80.2 | 128.9 | 0 | 0 | 0 | 113.3 | L110 A119 E120 C121 | L110-L117 HydrophobicContact CD2-CB 4.18Å; L110-L117 HydrophobicContact CD2-CD1 4.2Å; L117-A119 PolarHBondContact O-N 3.41Å; L117-E120 HydrophobicContact CB-CB 3.67Å; L117-E120 WeakPolarHBondContact CD1-OE2 3.49Å; L117-E120 HydrophobicContact CD2-CB 3.64Å; L117-E120 HydrophobicContact CD2-CG 4.48Å; L117-E120 WeakPolarHBondContact CD2-OE2 3.34Å; L117-E120 HydrophobicContact CG-CB 4.19Å; L117-E120 PolarHBondContact O-N 2.94Å; L117-C121 PolarHBondContact O-N 2.93Å; L117-C121 PolarHBondContact O-SG 2.9Å | ||
| 118 | I | 64 | Low | 70.9 | Confident | 139 Ų | 139 | 66.2 Ų | 66.2 | 71% | 0.713 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -51.8 | -41 | 164.6 | -67.1 | 171 | 0 | 0 | 0 | 109.8 | C121 L122 | I118-C121 PolarHBondContact O-N 3.37Å; I118-L122 HydrophobicContact CG2-CD1 3.85Å; I118-L122 HydrophobicContact CG2-CG 4.22Å; I118-L122 WeakPolarHBondContact O-CB 3.43Å; I118-L122 VanDerWaalsContact O-CG 3.24Å; I118-L122 WeakPolarHBondContact O-CG 3.4Å; I118-L122 PolarHBondContact O-N 3.49Å |
| 119 | A | 64.7 | Low | 70.6 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 60% | 0.595 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.3 | -43.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L117 L122 L123 | L117-A119 PolarHBondContact O-N 3.41Å; A119-L122 PolarHBondContact O-N 3.47Å; A119-L123 WeakPolarHBondContact O-CB 3.32Å; A119-L123 PolarHBondContact O-N 3.36Å |
| 120 | E | 65.2 | Low | 70.2 | Confident | 52 Ų | 52 | 80.4 Ų | 80.4 | 24% | 0.243 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -72.6 | -36.5 | 177.7 | -164.3 | -176.3 | 174.7 | 0 | 0 | 111.2 | L110 L117 L122 L123 L124 | L110-E120 HydrophobicContact CD1-CB 3.76Å; L110-E120 HydrophobicContact CD1-CG 3.67Å; L117-E120 HydrophobicContact CB-CB 3.67Å; L117-E120 WeakPolarHBondContact CD1-OE2 3.49Å; L117-E120 HydrophobicContact CD2-CB 3.64Å; L117-E120 HydrophobicContact CD2-CG 4.48Å; L117-E120 WeakPolarHBondContact CD2-OE2 3.34Å; L117-E120 HydrophobicContact CG-CB 4.19Å; L117-E120 PolarHBondContact O-N 2.94Å; E120-L122 PolarHBondContact O-N 2.89Å; E120-L123 PolarHBondContact O-N 3.42Å; E120-L124 HydrophobicContact CG-CD1 4.15Å; E120-L124 HydrophobicContact CG-CG 4.41Å; E120-L124 WeakPolarHBondContact O-CB 3.49Å; E120-L124 WeakPolarHBondContact O-CG 3.31Å; E120-L124 PolarHBondContact O-N 2.94Å |
| 121 | C | 67.9 | Low | 69.7 | Low | 17 Ų | 17 | 81.7 Ų | 81.7 | 12% | 0.115 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 171.5 | -68.7 | 0 | 0 | 0 | 0 | 111.1 | L107 L110 L117 I118 L124 L125 | L107-C121 HydrophobicContact CD1-CB 3.97Å; L110-C121 WeakPolarHBondContact CB-SG 3.26Å; L117-C121 PolarHBondContact O-N 2.93Å; L117-C121 PolarHBondContact O-SG 2.9Å; I118-C121 PolarHBondContact O-N 3.37Å; C121-L124 PolarHBondContact O-N 3.2Å; C121-L125 VanDerWaalsContact O-CB 3.31Å; C121-L125 WeakPolarHBondContact O-CB 3.21Å; C121-L125 WeakPolarHBondContact O-CG 3.32Å; C121-L125 PolarHBondContact O-N 3.18Å |
| 122 | L | 76.8 | Confident | 69.3 | Low | 100 Ų | 100 | 87 Ų | 87 | 52% | 0.524 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 176.6 | -72 | 174.4 | 0 | 0 | 0 | 111.3 | I118 A119 E120 L125 C126 | I118-L122 HydrophobicContact CG2-CD1 3.85Å; I118-L122 HydrophobicContact CG2-CG 4.22Å; I118-L122 WeakPolarHBondContact O-CB 3.43Å; I118-L122 VanDerWaalsContact O-CG 3.24Å; I118-L122 WeakPolarHBondContact O-CG 3.4Å; I118-L122 PolarHBondContact O-N 3.49Å; A119-L122 PolarHBondContact O-N 3.47Å; E120-L122 PolarHBondContact O-N 2.89Å; L122-L125 PolarHBondContact O-N 3.25Å; L122-C126 WeakPolarHBondContact O-CB 3.44Å; L122-C126 PolarHBondContact O-N 2.89Å; L122-C126 PolarHBondContact O-SG 2.96Å |
| 123 | L | 76.2 | Confident | 69.2 | Low | 114 Ų | 114 | 86.3 Ų | 86.3 | 60% | 0.597 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.7 | -47.6 | 176.3 | -176 | 67.2 | 0 | 0 | 0 | 111.4 | A119 E120 C126 V127 | A119-L123 WeakPolarHBondContact O-CB 3.32Å; A119-L123 PolarHBondContact O-N 3.36Å; E120-L123 PolarHBondContact O-N 3.42Å; L123-C126 WeakPolarHBondContact O-CB 3.32Å; L123-C126 PolarHBondContact O-N 3.28Å; L123-V127 WeakPolarHBondContact O-CG2 3.36Å; L123-V127 PolarHBondContact O-N 3.41Å |
| 124 | L | 71.9 | Confident | 69.2 | Low | 8 Ų | 8 | 88.8 Ų | 88.8 | 4% | 0.042 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -64.3 | -40.6 | 177.9 | -71.3 | 170.1 | 0 | 0 | 0 | 111.4 | F22 L103 R106 L107 L110 E120 C121 V127 L128 | F22-L124 HydrophobicContact CE2-CD2 4.18Å; F22-L124 HydrophobicContact CZ-CD2 4.37Å; L103-L124 HydrophobicContact CD2-CD2 3.5Å; L103-L124 VanDerWaalsContact CD2-CD2 3.5Å; R106-L124 HydrophobicContact CB-CD1 3.69Å; R106-L124 HydrophobicContact CB-CD2 4.29Å; L107-L124 HydrophobicContact CB-CB 4.41Å; L107-L124 HydrophobicContact CB-CD1 4.31Å; L107-L124 HydrophobicContact CD1-CB 4.26Å; L110-L124 HydrophobicContact CD1-CD1 3.64Å; E120-L124 HydrophobicContact CG-CD1 4.15Å; E120-L124 HydrophobicContact CG-CG 4.41Å; E120-L124 WeakPolarHBondContact O-CB 3.49Å; E120-L124 WeakPolarHBondContact O-CG 3.31Å; E120-L124 PolarHBondContact O-N 2.94Å; C121-L124 PolarHBondContact O-N 3.2Å; L124-V127 PolarHBondContact O-N 3.44Å; L124-L128 WeakPolarHBondContact O-CB 3.5Å; L124-L128 VanDerWaalsContact O-CG 3.26Å; L124-L128 WeakPolarHBondContact O-CG 3.15Å; L124-L128 PolarHBondContact O-N 3.32Å |
| 125 | L | 77 | Confident | 69.7 | Low | 66 Ų | 66 | 83.6 Ų | 83.6 | 35% | 0.346 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.2 | -48 | 172.5 | -76.5 | 169.5 | 0 | 0 | 0 | 111.2 | L107 C121 L122 V127 L128 F129 | L107-L125 HydrophobicContact CD1-CD2 4.46Å; L107-L125 HydrophobicContact CD1-CG 4.05Å; L107-L125 HydrophobicContact CD2-CD2 3.61Å; L107-L125 HydrophobicContact CD2-CG 4.08Å; C121-L125 VanDerWaalsContact O-CB 3.31Å; C121-L125 WeakPolarHBondContact O-CB 3.21Å; C121-L125 WeakPolarHBondContact O-CG 3.32Å; C121-L125 PolarHBondContact O-N 3.18Å; L122-L125 PolarHBondContact O-N 3.25Å; L125-V127 VanDerWaalsContact C-N 3.29Å; L125-V127 PolarHBondContact O-N 3.26Å; L125-L128 PolarHBondContact O-N 3.46Å; L125-L128 VanDerWaalsContact O-N 3.16Å; L125-F129 WeakPolarHBondContact O-CD2 3.31Å; L125-F129 PolarHBondContact O-N 2.85Å |
| 126 | C | 82.6 | Confident | 70.4 | Confident | 85 Ų | 85 | 82.8 Ų | 82.8 | 57% | 0.574 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -56.4 | -43.1 | 175 | -74.2 | 0 | 0 | 0 | 0 | 111.7 | L122 L123 F129 Y130 | L122-C126 WeakPolarHBondContact O-CB 3.44Å; L122-C126 PolarHBondContact O-N 2.89Å; L122-C126 PolarHBondContact O-SG 2.96Å; L123-C126 WeakPolarHBondContact O-CB 3.32Å; L123-C126 PolarHBondContact O-N 3.28Å; C126-F129 PolarHBondContact O-N 3.47Å; C126-Y130 WeakPolarHBondContact O-CB 3.43Å; C126-Y130 PolarHBondContact O-N 2.98Å |
| 127 | V | 74.5 | Confident | 71.1 | Confident | 16 Ų | 16 | 83.5 Ų | 83.5 | 10% | 0.097 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 176.4 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | F18 L103 L123 L124 L125 F129 Y130 K131 | F18-V127 HydrophobicContact CE1-CG1 3.81Å; F18-V127 HydrophobicContact CE1-CG2 4.26Å; F18-V127 HydrophobicContact CZ-CG1 4.48Å; F18-V127 HydrophobicContact CZ-CG2 4.12Å; L103-V127 HydrophobicContact CD1-CG1 3.59Å; L103-V127 HydrophobicContact CD2-CB 4.2Å; L103-V127 HydrophobicContact CD2-CG1 3.64Å; L103-V127 HydrophobicContact CG-CG1 4.29Å; L123-V127 WeakPolarHBondContact O-CG2 3.36Å; L123-V127 PolarHBondContact O-N 3.41Å; L124-V127 PolarHBondContact O-N 3.44Å; L125-V127 VanDerWaalsContact C-N 3.29Å; L125-V127 PolarHBondContact O-N 3.26Å; V127-F129 PolarHBondContact O-N 2.82Å; V127-Y130 PolarHBondContact O-N 2.89Å; V127-K131 HydrophobicContact CG1-CG 4.4Å; V127-K131 WeakPolarHBondContact O-CB 3.27Å; V127-K131 PolarHBondContact O-N 2.96Å |
| 128 | L | 71.7 | Confident | 71.6 | Confident | 19 Ų | 19 | 82.4 Ų | 82.4 | 10% | 0.099 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 176.8 | -73.7 | 172.8 | 0 | 0 | 0 | 112.1 | L103 L107 L124 L125 R132 F133 | L103-L128 HydrophobicContact CB-CD2 3.67Å; L103-L128 HydrophobicContact CB-CG 4.3Å; L103-L128 HydrophobicContact CD1-CD2 4.26Å; L107-L128 HydrophobicContact CD2-CD1 3.58Å; L124-L128 WeakPolarHBondContact O-CB 3.5Å; L124-L128 VanDerWaalsContact O-CG 3.26Å; L124-L128 WeakPolarHBondContact O-CG 3.15Å; L124-L128 PolarHBondContact O-N 3.32Å; L125-L128 PolarHBondContact O-N 3.46Å; L125-L128 VanDerWaalsContact O-N 3.16Å; L128-R132 PolarHBondContact O-N 3.05Å; L128-F133 HydrophobicContact CD2-CD2 4.24Å; L128-F133 PolarHBondContact O-N 3.49Å |
| 129 | F | 78.2 | Confident | 71.9 | Confident | 169 Ų | 169 | 81 Ų | 81 | 74% | 0.741 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -66.2 | -43.8 | 174.8 | -81.8 | -67.7 | 0 | 0 | 0 | 111.7 | L125 C126 V127 K131 R132 | L125-F129 WeakPolarHBondContact O-CD2 3.31Å; L125-F129 PolarHBondContact O-N 2.85Å; C126-F129 PolarHBondContact O-N 3.47Å; V127-F129 PolarHBondContact O-N 2.82Å; F129-K131 VanDerWaalsContact C-N 3.31Å; F129-K131 PolarHBondContact O-N 3.38Å; F129-R132 PolarHBondContact O-N 3.4Å |
| 130 | Y | 76 | Confident | 72 | Confident | 180 Ų | 180 | 78 Ų | 78 | 71% | 0.706 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.6 | -40 | 177.4 | -177.3 | -101.3 | 0 | 0 | 0 | 112.1 | C126 V127 R132 | C126-Y130 WeakPolarHBondContact O-CB 3.43Å; C126-Y130 PolarHBondContact O-N 2.98Å; V127-Y130 PolarHBondContact O-N 2.89Å; Y130-R132 VanDerWaalsContact C-N 3.34Å; Y130-R132 PolarHBondContact O-N 2.91Å |
| 131 | K | 67.4 | Low | 71.9 | Confident | 43 Ų | 43 | 79.7 Ų | 79.7 | 19% | 0.187 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -81.4 | -5.9 | -176.1 | -80.2 | -73.5 | 178.4 | -179.2 | 0 | 115.5 | D16 V127 F129 | D16-K131 IonicContact OD1-NZ 2.58Å; D16-K131 PolarHBondContact OD1-NZ 2.95Å; D16-K131 IonicContact OD2-NZ 2.7Å; D16-K131 PolarHBondContact OD2-NZ 3.33Å; V127-K131 HydrophobicContact CG1-CG 4.4Å; V127-K131 WeakPolarHBondContact O-CB 3.27Å; V127-K131 PolarHBondContact O-N 2.96Å; F129-K131 VanDerWaalsContact C-N 3.31Å; F129-K131 PolarHBondContact O-N 3.38Å |
| 132 | R | 69.3 | Low | 71.7 | Confident | 216 Ų | 216 | 84.4 Ų | 84.4 | 82% | 0.815 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.8 | 79.6 | -170.3 | -62.5 | -176.8 | 178.9 | -169.8 | -0.7 | 110.5 | L128 F129 Y130 E134 | L128-R132 PolarHBondContact O-N 3.05Å; F129-R132 PolarHBondContact O-N 3.4Å; Y130-R132 VanDerWaalsContact C-N 3.34Å; Y130-R132 PolarHBondContact O-N 2.91Å; R132-E134 WeakPolarHBondContact O-CG 3.45Å; R132-E134 PolarHBondContact O-N 3.08Å |
| 133 | F | 71.2 | Confident | 71.1 | Confident | 94 Ų | 94 | 84.1 Ų | 84.1 | 41% | 0.412 | 45% | 0.446 | S | S | . | . | trans | -14.4 | 97.6 | 173.3 | -173 | -103.2 | 0 | 0 | 0 | 115.4 | T104 L128 I135 R205 | T104-F133 WeakPolarHBondContact OG1-CE2 3.36Å; L128-F133 HydrophobicContact CD2-CD2 4.24Å; L128-F133 PolarHBondContact O-N 3.49Å; F133-I135 HydrophobicContact CD1-CD1 4.17Å; F133-I135 HydrophobicContact CD1-CG1 3.68Å; F133-I135 HydrophobicContact CE1-CD1 3.71Å; F133-I135 HydrophobicContact CE1-CG1 3.28Å; F133-I135 HydrophobicContact CZ-CG1 4.25Å; F133-R205 VanDerWaalsContact CZ-CZ 3.44Å | ||
| 134 | E | 73.9 | Confident | 71.1 | Confident | 86 Ų | 86 | 82.3 Ų | 82.3 | 40% | 0.402 | 43% | 0.434 | S | S | . | . | trans | -92.1 | 116.2 | 178.6 | -64.6 | -169.3 | 176 | 0 | 0 | 109 | G96 S100 R132 | G96-E134 WeakPolarHBondContact CA-OE2 3.44Å; S100-E134 WeakPolarHBondContact CB-O 3.5Å; S100-E134 PolarHBondContact OG-N 3.27Å; R132-E134 WeakPolarHBondContact O-CG 3.45Å; R132-E134 PolarHBondContact O-N 3.08Å | ||
| 135 | I | 70.3 | Confident | 71.4 | Confident | 81 Ų | 81 | 88 Ų | 88 | 42% | 0.415 | 46% | 0.464 | S | S | . | . | trans | -77.4 | -17.5 | 174.7 | -61.9 | 174.2 | 0 | 0 | 0 | 110.7 | F133 Y208 | F133-I135 HydrophobicContact CD1-CD1 4.17Å; F133-I135 HydrophobicContact CD1-CG1 3.68Å; F133-I135 HydrophobicContact CE1-CD1 3.71Å; F133-I135 HydrophobicContact CE1-CG1 3.28Å; F133-I135 HydrophobicContact CZ-CG1 4.25Å; I135-Y208 HydrophobicContact CG2-CD1 4.21Å; I135-Y208 HydrophobicContact CG2-CD2 4.1Å; I135-Y208 HydrophobicContact CG2-CE1 4.47Å; I135-Y208 HydrophobicContact CG2-CE2 4.38Å; I135-Y208 HydrophobicContact CG2-CG 4.01Å; I135-Y208 WeakPolarHBondContact O-CB 3.4Å | ||
| 136 | G | 68.4 | Low | 71.7 | Confident | 22 Ų | 22 | 90 Ų | 90 | 23% | 0.227 | 48% | 0.479 | C | S | . | . | trans | 95.4 | 156.8 | -165.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y208 | G136-Y208 CarbonylContact C-O 3.59Å; G136-Y208 WeakPolarHBondContact CA-O 3.42Å | ||
| 137 | S | 68.6 | Low | 71.6 | Confident | 96 Ų | 96 | 88.5 Ų | 88.5 | 67% | 0.671 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -108.5 | -6.7 | -172.1 | 59.4 | 0 | 0 | 0 | 0 | 114.2 | Y208 | S137-Y208 PolarHBondContact N-O 3.39Š|
| 138 | T | 68.1 | Low | 71.9 | Confident | 55 Ų | 55 | 89.2 Ų | 89.2 | 34% | 0.337 | 47% | 0.465 | S | S | . | . | trans | -114.3 | 90.4 | -167.3 | -54.2 | 0 | 0 | 0 | 0 | 110.4 | L140 Y208 | T138-L140 PolarHBondContact O-N 2.75Å; T138-Y208 PolarHBondContact N-O 3.2Å; T138-Y208 CarbonylContact O-C 3.59Å; T138-Y208 VanDerWaalsContact O-CA 3.25Å; T138-Y208 WeakPolarHBondContact O-CA 3.38Å | ||
| 139 | L | 69 | Low | 72.5 | Confident | 110 Ų | 110 | 90.4 Ų | 90.4 | 58% | 0.576 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 120.3 | 169.2 | -173.9 | 68.5 | 0 | 0 | 0 | 109.1 | T141 Y208 | L139-T141 PolarHBondContact O-N 3.37Å; L139-Y208 HydrophobicContact CD1-CD1 4.32Å; L139-Y208 HydrophobicContact CD1-CE1 3.7Å |
| 140 | L | 67 | Low | 72.9 | Confident | 10 Ų | 10 | 87.5 Ų | 87.5 | 5% | 0.052 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 124.4 | 173.6 | -79.3 | 157 | 0 | 0 | 0 | 110.9 | T138 Q144 Y147 N148 L207 | T138-L140 PolarHBondContact O-N 2.75Å; L140-Q144 HydrophobicContact CD2-CG 4.48Å; L140-Y147 HydrophobicContact CD1-CD1 3.56Å; L140-Y147 HydrophobicContact CD1-CE1 3.59Å; L140-N148 WeakPolarHBondContact CB-OD1 3.39Å; L140-L207 HydrophobicContact CD1-CB 4.25Å; L140-L207 HydrophobicContact CD1-CD2 3.69Å; L140-L207 PolarHBondContact N-O 2.87Å |
| 141 | T | 64.3 | Low | 73.3 | Confident | 87 Ų | 87 | 79.3 Ų | 79.3 | 53% | 0.534 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 153.8 | 179.4 | 63 | 0 | 0 | 0 | 0 | 111.4 | L139 A143 Q144 | L139-T141 PolarHBondContact O-N 3.37Å; T141-A143 PolarHBondContact O-N 3.43Å; T141-Q144 PolarHBondContact O-N 3.5Å |
| 142 | P | 62.5 | Low | 74 | Confident | 116 Ų | 116 | 81.8 Ų | 81.8 | 75% | 0.753 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -52.8 | -18.7 | 176.7 | -25.9 | 33.4 | 0 | 0 | 0 | 114.5 | Q144 L145 | P142-Q144 PolarHBondContact O-N 2.74Å; P142-Q144 VanDerWaalsContact O-N 3.13Å; P142-L145 PolarHBondContact O-N 3.4Å |
| 143 | A | 65.3 | Low | 74.9 | Confident | 94 Ų | 94 | 75.7 Ų | 75.7 | 78% | 0.777 | 43% | 0.433 | S | S | * | . | G | 310 helix | trans | -60.3 | -17.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | T141 | T141-A143 PolarHBondContact O-N 3.43Š|
| 144 | Q | 75.8 | Confident | 75.7 | Confident | 75 Ų | 75 | 72.9 Ų | 72.9 | 35% | 0.35 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -108.2 | 39.7 | 177.3 | -56 | -162 | -100.7 | 0 | 0 | 112.7 | L140 T141 P142 T146 Y147 N148 | L140-Q144 HydrophobicContact CD2-CG 4.48Å; T141-Q144 PolarHBondContact O-N 3.5Å; P142-Q144 PolarHBondContact O-N 2.74Å; P142-Q144 VanDerWaalsContact O-N 3.13Å; Q144-T146 VanDerWaalsContact C-N 3.3Å; Q144-T146 PolarHBondContact O-N 3.28Å; Q144-Y147 PolarHBondContact O-N 2.9Å; Q144-N148 PolarHBondContact O-N 2.84Å |
| 145 | L | 78.6 | Confident | 76.3 | Confident | 129 Ų | 129 | 69.5 Ų | 69.5 | 68% | 0.675 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -46 | -48.6 | -177.2 | -176.7 | 65.6 | 0 | 0 | 0 | 113.6 | P142 Y147 N148 A149 | P142-L145 PolarHBondContact O-N 3.4Å; L145-Y147 VanDerWaalsContact C-N 3.35Å; L145-Y147 PolarHBondContact O-N 2.91Å; L145-N148 PolarHBondContact O-N 3.11Å; L145-A149 WeakPolarHBondContact O-CB 3.35Å; L145-A149 PolarHBondContact O-N 3.5Å |
| 146 | T | 82.6 | Confident | 77.1 | Confident | 106 Ų | 106 | 71 Ų | 71 | 65% | 0.65 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.3 | -41.4 | -178.6 | -46.4 | 0 | 0 | 0 | 0 | 112.1 | Q144 A149 L150 | Q144-T146 VanDerWaalsContact C-N 3.3Å; Q144-T146 PolarHBondContact O-N 3.28Å; T146-A149 PolarHBondContact O-N 3.32Å; T146-L150 HydrophobicContact CG2-CD1 4.09Å; T146-L150 HydrophobicContact CG2-CG 4.45Å; T146-L150 WeakPolarHBondContact O-CB 3.44Å; T146-L150 VanDerWaalsContact O-CG 3.23Å; T146-L150 WeakPolarHBondContact O-CG 3.48Å; T146-L150 PolarHBondContact O-N 2.94Å |
| 147 | Y | 81.4 | Confident | 78 | Confident | 55 Ų | 55 | 74 Ų | 74 | 22% | 0.216 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66 | -44.8 | 178.1 | -176.3 | -87 | 0 | 0 | 0 | 110.6 | L140 Q144 L145 A149 L150 S151 L207 R215 V219 | L140-Y147 HydrophobicContact CD1-CD1 3.56Å; L140-Y147 HydrophobicContact CD1-CE1 3.59Å; Q144-Y147 PolarHBondContact O-N 2.9Å; L145-Y147 VanDerWaalsContact C-N 3.35Å; L145-Y147 PolarHBondContact O-N 2.91Å; Y147-A149 VanDerWaalsContact C-N 3.35Å; Y147-A149 PolarHBondContact O-N 3.46Å; Y147-L150 PolarHBondContact O-N 3.42Å; Y147-S151 PolarHBondContact O-N 3.31Å; Y147-S151 PolarHBondContact O-OG 3.16Å; Y147-L207 HydrophobicContact CD1-CD2 3.96Å; Y147-L207 HydrophobicContact CE1-CD2 3.89Å; Y147-R215 WeakPolarHBondContact OH-CB 3.45Å; Y147-V219 HydrophobicContact CE2-CG2 4.16Å |
| 148 | N | 80 | Confident | 78.9 | Confident | 30 Ų | 30 | 69.5 Ų | 69.5 | 16% | 0.16 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 177.6 | -65.8 | -1.1 | 0 | 0 | 0 | 110.9 | L140 Q144 L145 S151 Q152 L207 | L140-N148 WeakPolarHBondContact CB-OD1 3.39Å; Q144-N148 PolarHBondContact O-N 2.84Å; L145-N148 PolarHBondContact O-N 3.11Å; N148-S151 PolarHBondContact O-N 3.07Å; N148-Q152 VanDerWaalsContact O-CG 3.26Å; N148-Q152 WeakPolarHBondContact O-CG 3.46Å; N148-Q152 PolarHBondContact O-N 3.23Å; N148-L207 HydrophobicContact CB-CD1 4.43Å; N148-L207 HydrophobicContact CB-CD2 4.38Å; N148-L207 WeakPolarHBondContact OD1-CD2 3.35Å |
| 149 | A | 84.1 | Confident | 79.8 | Confident | 44 Ų | 44 | 69.4 Ų | 69.4 | 36% | 0.364 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L145 T146 Y147 S151 Q152 I153 | L145-A149 WeakPolarHBondContact O-CB 3.35Å; L145-A149 PolarHBondContact O-N 3.5Å; T146-A149 PolarHBondContact O-N 3.32Å; Y147-A149 VanDerWaalsContact C-N 3.35Å; Y147-A149 PolarHBondContact O-N 3.46Å; A149-S151 PolarHBondContact O-N 3.41Å; A149-Q152 PolarHBondContact O-N 3.36Å; A149-I153 WeakPolarHBondContact O-CB 3.35Å; A149-I153 VanDerWaalsContact O-CG1 3.23Å; A149-I153 WeakPolarHBondContact O-CG1 3.26Å; A149-I153 PolarHBondContact O-N 3.2Å |
| 150 | L | 86.6 | Confident | 80.7 | Confident | 108 Ų | 108 | 67.8 Ų | 67.8 | 57% | 0.565 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.9 | -42.3 | 179.5 | -73.2 | 173.2 | 0 | 0 | 0 | 112.4 | T146 Y147 I153 D154 | T146-L150 HydrophobicContact CG2-CD1 4.09Å; T146-L150 HydrophobicContact CG2-CG 4.45Å; T146-L150 WeakPolarHBondContact O-CB 3.44Å; T146-L150 VanDerWaalsContact O-CG 3.23Å; T146-L150 WeakPolarHBondContact O-CG 3.48Å; T146-L150 PolarHBondContact O-N 2.94Å; Y147-L150 PolarHBondContact O-N 3.42Å; L150-I153 PolarHBondContact O-N 3.18Å; L150-D154 WeakPolarHBondContact O-CB 3.42Å; L150-D154 PolarHBondContact O-N 2.99Å |
| 151 | S | 84 | Confident | 81.7 | Confident | 9 Ų | 9 | 70.6 Ų | 70.6 | 6% | 0.063 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.3 | -38.5 | 176.9 | -64.9 | 0 | 0 | 0 | 0 | 112.7 | Y147 N148 A149 D154 S155 C206 | Y147-S151 PolarHBondContact O-N 3.31Å; Y147-S151 PolarHBondContact O-OG 3.16Å; N148-S151 PolarHBondContact O-N 3.07Å; A149-S151 PolarHBondContact O-N 3.41Å; S151-D154 PolarHBondContact O-N 2.94Å; S151-S155 WeakPolarHBondContact O-CB 3.45Å; S151-S155 PolarHBondContact O-N 3.19Å; S151-C206 VanDerWaalsContact CB-SG 3.52Å; S151-C206 PolarHBondContact OG-SG 3.49Å |
| 152 | Q | 84 | Confident | 82.9 | Confident | 94 Ų | 94 | 66.4 Ų | 66.4 | 44% | 0.439 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -69.3 | -42 | 176.2 | -67.3 | -61.2 | -32.4 | 0 | 0 | 111.7 | N148 A149 D154 S155 L156 L207 | N148-Q152 VanDerWaalsContact O-CG 3.26Å; N148-Q152 WeakPolarHBondContact O-CG 3.46Å; N148-Q152 PolarHBondContact O-N 3.23Å; A149-Q152 PolarHBondContact O-N 3.36Å; Q152-D154 VanDerWaalsContact C-N 3.35Å; Q152-S155 PolarHBondContact O-N 2.91Å; Q152-L156 WeakPolarHBondContact O-CB 3.49Å; Q152-L156 PolarHBondContact O-N 3.45Å; Q152-L207 HydrophobicContact CG-CD1 4.49Å |
| 153 | I | 87.2 | Confident | 84.1 | Confident | 88 Ų | 88 | 62.7 Ų | 62.7 | 45% | 0.451 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 173.7 | -69.7 | 165.9 | 0 | 0 | 0 | 110.3 | A149 L150 L156 L157 | A149-I153 WeakPolarHBondContact O-CB 3.35Å; A149-I153 VanDerWaalsContact O-CG1 3.23Å; A149-I153 WeakPolarHBondContact O-CG1 3.26Å; A149-I153 PolarHBondContact O-N 3.2Å; L150-I153 PolarHBondContact O-N 3.18Å; I153-L156 PolarHBondContact O-N 3.34Å; I153-L157 HydrophobicContact CG2-CD1 3.75Å; I153-L157 HydrophobicContact CG2-CG 4.14Å; I153-L157 WeakPolarHBondContact O-CB 3.47Å; I153-L157 VanDerWaalsContact O-CG 3.28Å; I153-L157 WeakPolarHBondContact O-CG 3.33Å; I153-L157 PolarHBondContact O-N 2.94Å |
| 154 | D | 88 | Confident | 85.1 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 19% | 0.193 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 178 | 179.4 | 73.3 | 0 | 0 | 0 | 112.2 | L150 S151 Q152 L156 L157 A158 S203 R222 | L150-D154 WeakPolarHBondContact O-CB 3.42Å; L150-D154 PolarHBondContact O-N 2.99Å; S151-D154 PolarHBondContact O-N 2.94Å; Q152-D154 VanDerWaalsContact C-N 3.35Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 PolarHBondContact O-N 3.21Å; D154-L157 PolarHBondContact O-N 3.32Å; D154-A158 VanDerWaalsContact O-CB 3.3Å; D154-A158 WeakPolarHBondContact O-CB 3.46Å; D154-A158 PolarHBondContact O-N 3.3Å; D154-S203 WeakPolarHBondContact OD2-CB 3.33Å; D154-S203 PolarHBondContact OD2-OG 3.46Å; D154-R222 IonicContact OD1-CZ 3.36Å; D154-R222 IonicContact OD1-NE 3.1Å; D154-R222 PolarHBondContact OD1-NE 2.83Å; D154-R222 VanDerWaalsContact OD1-NE 3.1Å; D154-R222 IonicContact OD1-NH2 2.74Å; D154-R222 PolarHBondContact OD1-NH2 2.69Å; D154-R222 IonicContact OD2-CZ 3.54Å; D154-R222 IonicContact OD2-NE 2.88Å; D154-R222 PolarHBondContact OD2-NE 3.32Å; D154-R222 IonicContact OD2-NH2 3.52Å |
| 155 | S | 86.9 | Confident | 85.8 | Confident | 14 Ų | 14 | 57.3 Ų | 57.3 | 10% | 0.098 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.9 | -45 | 174.9 | -169.4 | 0 | 0 | 0 | 0 | 111.5 | S151 Q152 T159 S200 | S151-S155 WeakPolarHBondContact O-CB 3.45Å; S151-S155 PolarHBondContact O-N 3.19Å; Q152-S155 PolarHBondContact O-N 2.91Å; S155-T159 WeakPolarHBondContact O-CB 3.4Å; S155-T159 PolarHBondContact O-N 2.76Å; S155-T159 PolarHBondContact O-OG1 3.1Å; S155-S200 PolarHBondContact OG-O 2.81Å |
| 156 | L | 86.8 | Confident | 86.2 | Confident | 112 Ų | 112 | 53.9 Ų | 53.9 | 59% | 0.586 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.7 | -47.2 | 176.6 | -178 | 64.8 | 0 | 0 | 0 | 111.7 | Q152 I153 D154 T159 V160 | Q152-L156 WeakPolarHBondContact O-CB 3.49Å; Q152-L156 PolarHBondContact O-N 3.45Å; I153-L156 PolarHBondContact O-N 3.34Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 PolarHBondContact O-N 3.21Å; L156-T159 PolarHBondContact O-N 3.49Å; L156-V160 HydrophobicContact CD1-CG2 4.07Å; L156-V160 HydrophobicContact CG-CG2 4.32Å; L156-V160 WeakPolarHBondContact O-CB 3.49Å; L156-V160 WeakPolarHBondContact O-CG2 3.27Å; L156-V160 PolarHBondContact O-N 3.36Å |
| 157 | L | 87.5 | Confident | 86.5 | Confident | 86 Ų | 86 | 52.2 Ų | 52.2 | 45% | 0.45 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 178.6 | -73.7 | 175.4 | 0 | 0 | 0 | 111.7 | I153 D154 T159 V160 I161 | I153-L157 HydrophobicContact CG2-CD1 3.75Å; I153-L157 HydrophobicContact CG2-CG 4.14Å; I153-L157 WeakPolarHBondContact O-CB 3.47Å; I153-L157 VanDerWaalsContact O-CG 3.28Å; I153-L157 WeakPolarHBondContact O-CG 3.33Å; I153-L157 PolarHBondContact O-N 2.94Å; D154-L157 PolarHBondContact O-N 3.32Å; L157-T159 VanDerWaalsContact C-N 3.26Å; L157-T159 PolarHBondContact O-N 2.82Å; L157-V160 PolarHBondContact O-N 2.86Å; L157-I161 HydrophobicContact CB-CD1 4.41Å; L157-I161 VanDerWaalsContact O-CB 3.25Å; L157-I161 WeakPolarHBondContact O-CB 3.23Å; L157-I161 WeakPolarHBondContact O-CG1 3.36Å; L157-I161 PolarHBondContact O-N 3.29Å |
| 158 | A | 88 | Confident | 86.9 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.008 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.5 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D154 G162 | D154-A158 VanDerWaalsContact O-CB 3.3Å; D154-A158 WeakPolarHBondContact O-CB 3.46Å; D154-A158 PolarHBondContact O-N 3.3Å; A158-G162 WeakPolarHBondContact O-CA 3.43Å; A158-G162 PolarHBondContact O-N 3.41Å |
| 159 | T | 86.8 | Confident | 87.3 | Confident | 54 Ų | 54 | 52.8 Ų | 52.8 | 33% | 0.331 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68 | -51.5 | 178.5 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | S155 L156 L157 A163 S200 | S155-T159 WeakPolarHBondContact O-CB 3.4Å; S155-T159 PolarHBondContact O-N 2.76Å; S155-T159 PolarHBondContact O-OG1 3.1Å; L156-T159 PolarHBondContact O-N 3.49Å; L157-T159 VanDerWaalsContact C-N 3.26Å; L157-T159 PolarHBondContact O-N 2.82Å; T159-A163 WeakPolarHBondContact O-CB 3.38Å; T159-A163 PolarHBondContact O-N 3.5Å; T159-S200 WeakPolarHBondContact OG1-CB 3.48Å |
| 160 | V | 87.6 | Confident | 87.5 | Confident | 76 Ų | 76 | 54.5 Ų | 54.5 | 46% | 0.461 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.3 | -51.4 | -177.9 | 171.7 | 0 | 0 | 0 | 0 | 110.7 | L156 L157 G162 A163 V164 | L156-V160 HydrophobicContact CD1-CG2 4.07Å; L156-V160 HydrophobicContact CG-CG2 4.32Å; L156-V160 WeakPolarHBondContact O-CB 3.49Å; L156-V160 WeakPolarHBondContact O-CG2 3.27Å; L156-V160 PolarHBondContact O-N 3.36Å; L157-V160 PolarHBondContact O-N 2.86Å; V160-G162 PolarHBondContact O-N 2.85Å; V160-A163 PolarHBondContact O-N 3.48Å; V160-V164 VanDerWaalsContact O-CG2 3.32Å; V160-V164 WeakPolarHBondContact O-CG2 3.43Å; V160-V164 PolarHBondContact O-N 3.13Å |
| 161 | I | 88.3 | Confident | 87.5 | Confident | 68 Ų | 68 | 55.1 Ų | 55.1 | 35% | 0.349 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | -179.7 | -63.7 | 169.9 | 0 | 0 | 0 | 109.8 | L157 A163 V164 W165 L196 | L157-I161 HydrophobicContact CB-CD1 4.41Å; L157-I161 VanDerWaalsContact O-CB 3.25Å; L157-I161 WeakPolarHBondContact O-CB 3.23Å; L157-I161 WeakPolarHBondContact O-CG1 3.36Å; L157-I161 PolarHBondContact O-N 3.29Å; I161-A163 VanDerWaalsContact C-N 3.32Å; I161-A163 PolarHBondContact O-N 3.42Å; I161-V164 PolarHBondContact O-N 2.93Å; I161-W165 VanDerWaalsContact O-CD1 3.27Å; I161-W165 PolarHBondContact O-N 3.43Å; I161-L196 HydrophobicContact CB-CD2 4.07Å; I161-L196 HydrophobicContact CG2-CD2 3.63Å |
| 162 | G | 88.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A158 V160 W165 F166 G193 M197 | A158-G162 WeakPolarHBondContact O-CA 3.43Å; A158-G162 PolarHBondContact O-N 3.41Å; V160-G162 PolarHBondContact O-N 2.85Å; G162-W165 PolarHBondContact O-N 3.31Å; G162-F166 VanDerWaalsContact O-CB 3.31Å; G162-F166 WeakPolarHBondContact O-CB 3.09Å; G162-F166 PolarHBondContact O-N 2.94Å; G162-G193 WeakPolarHBondContact CA-O 3.17Å; G162-G193 VanDerWaalsContact O-CA 3.27Å; G162-G193 WeakPolarHBondContact O-CA 3.39Å; G162-M197 VanDerWaalsContact C-CG 3.46Å |
| 163 | A | 87.3 | Confident | 87.6 | Confident | 37 Ų | 37 | 51.3 Ų | 51.3 | 31% | 0.306 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T159 V160 I161 F166 A167 M197 | T159-A163 WeakPolarHBondContact O-CB 3.38Å; T159-A163 PolarHBondContact O-N 3.5Å; V160-A163 PolarHBondContact O-N 3.48Å; I161-A163 VanDerWaalsContact C-N 3.32Å; I161-A163 PolarHBondContact O-N 3.42Å; A163-F166 PolarHBondContact O-N 3.37Å; A163-A167 VanDerWaalsContact O-CB 3.25Å; A163-A167 WeakPolarHBondContact O-CB 3.4Å; A163-A167 PolarHBondContact O-N 2.81Å; A163-M197 VanDerWaalsContact CA-SD 3.57Å; A163-M197 HydrophobicContact CB-SD 3.81Å |
| 164 | V | 88 | Confident | 87.4 | Confident | 52 Ų | 52 | 55.9 Ų | 55.9 | 32% | 0.315 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 174.8 | -176.8 | 0 | 0 | 0 | 0 | 110.3 | V160 I161 F166 M168 W171 I172 | V160-V164 VanDerWaalsContact O-CG2 3.32Å; V160-V164 WeakPolarHBondContact O-CG2 3.43Å; V160-V164 PolarHBondContact O-N 3.13Å; I161-V164 PolarHBondContact O-N 2.93Å; V164-F166 VanDerWaalsContact C-N 3.27Å; V164-F166 PolarHBondContact O-N 3.47Å; V164-M168 CarbonylContact O-C 3.45Å; V164-M168 WeakPolarHBondContact O-CA 3.31Å; V164-M168 PolarHBondContact O-N 2.89Å; V164-W171 HydrophobicContact CG1-CE3 4.49Å; V164-W171 HydrophobicContact CG1-CZ3 4.31Å; V164-I172 HydrophobicContact CB-CD1 4.37Å; V164-I172 HydrophobicContact CG1-CD1 3.74Å; V164-I172 HydrophobicContact CG1-CG1 4.07Å |
| 165 | W | 89.1 | Confident | 87 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 2% | 0.019 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61 | -36.3 | 174 | -86.5 | 97.9 | 0 | 0 | 0 | 112.9 | I161 G162 P169 I172 L173 F192 Y229 F233 | I161-W165 VanDerWaalsContact O-CD1 3.27Å; I161-W165 PolarHBondContact O-N 3.43Å; G162-W165 PolarHBondContact O-N 3.31Å; W165-P169 WeakPolarHBondContact O-CB 3.24Å; W165-I172 HydrophobicContact CB-CD1 4.3Å; W165-I172 HydrophobicContact CD2-CD1 3.64Å; W165-I172 HydrophobicContact CE3-CD1 4.15Å; W165-I172 HydrophobicContact CG-CD1 3.71Å; W165-I172 HydrophobicContact CH2-CB 4.38Å; W165-I172 HydrophobicContact CH2-CG2 3.55Å; W165-I172 HydrophobicContact CZ2-CD1 4.31Å; W165-I172 HydrophobicContact CZ2-CG2 3.49Å; W165-I172 VanDerWaalsContact CZ2-CG2 3.49Å; W165-I172 HydrophobicContact CZ3-CG2 4.17Å; W165-L173 HydrophobicContact CH2-CD2 4.16Å; W165-L173 HydrophobicContact CZ3-CD2 4.01Å; W165-L173 HydrophobicContact CZ3-CG 4.28Å; W165-F192 HydrophobicContact CB-CD1 4.28Å; W165-F192 AromaticContact CD1-CE1 3.93Å; W165-F192 AromaticContact CD2-CD1 3.83Å; W165-F192 HydrophobicContact CD2-CD1 3.83Å; W165-F192 HydrophobicContact CD2-CE1 4.08Å; W165-F192 HydrophobicContact CE3-CD1 4.17Å; W165-F192 AromaticContact CG-CD1 3.86Å; W165-F192 HydrophobicContact CG-CD1 3.86Å; W165-F192 AromaticContact CG-CE1 3.99Å; W165-F192 HydrophobicContact CG-CE1 3.99Å; W165-F192 AromaticContact NE1-CE1 3.99Å; W165-Y229 AromaticContact NE1-CZ 3.96Å; W165-Y229 PolarHBondContact NE1-OH 3.05Å; W165-F233 HydrophobicContact CH2-CD1 4.39Å; W165-F233 AromaticContact CH2-CE1 3.25Å; W165-F233 HydrophobicContact CH2-CE1 3.25Å; W165-F233 HydrophobicContact CH2-CE2 4.48Å; W165-F233 AromaticContact CH2-CZ 3.29Å; W165-F233 HydrophobicContact CH2-CZ 3.29Å; W165-F233 HydrophobicContact CZ2-CD1 4.17Å; W165-F233 AromaticContact CZ2-CE1 3.32Å; W165-F233 HydrophobicContact CZ2-CE1 3.32Å; W165-F233 HydrophobicContact CZ2-CE2 4.13Å; W165-F233 AromaticContact CZ2-CZ 3.27Å; W165-F233 HydrophobicContact CZ2-CZ 3.27Å; W165-F233 HydrophobicContact CZ3-CE1 4.41Å; W165-F233 HydrophobicContact CZ3-CZ 4.18Å |
| 166 | F | 88.5 | Confident | 86.7 | Confident | 56 Ų | 56 | 65.7 Ų | 65.7 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -76.4 | -47.6 | 179.7 | -171.4 | -91.7 | 0 | 0 | 0 | 112.8 | W112 G162 A163 V164 R190 A194 M197 | W112-F166 HydrophobicContact CB-CE2 4.23Å; W112-F166 HydrophobicContact CE3-CE1 4.42Å; W112-F166 WeakPolarHBondContact O-CE2 3.43Å; W112-F166 WeakPolarHBondContact O-CZ 3.26Å; G162-F166 VanDerWaalsContact O-CB 3.31Å; G162-F166 WeakPolarHBondContact O-CB 3.09Å; G162-F166 PolarHBondContact O-N 2.94Å; A163-F166 PolarHBondContact O-N 3.37Å; V164-F166 VanDerWaalsContact C-N 3.27Å; V164-F166 PolarHBondContact O-N 3.47Å; F166-R190 HydrophobicContact CD2-CB 4.09Å; F166-R190 WeakPolarHBondContact CD2-O 3.31Å; F166-R190 HydrophobicContact CE2-CB 4.27Å; F166-R190 WeakPolarHBondContact O-CG 3.26Å; F166-R190 PolarHBondContact O-NE 3.02Å; F166-A194 HydrophobicContact CD2-CB 4.01Å; F166-A194 HydrophobicContact CE2-CB 4.16Å; F166-M197 HydrophobicContact CB-CE 3.79Å; F166-M197 HydrophobicContact CD1-CE 4.36Å; F166-M197 HydrophobicContact CD2-CE 4.06Å; F166-M197 HydrophobicContact CG-CE 3.81Å |
| 167 | A | 87.8 | Confident | 86.4 | Confident | 71 Ų | 71 | 60.7 Ų | 60.7 | 59% | 0.587 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -82.3 | -33.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A163 P169 | A163-A167 VanDerWaalsContact O-CB 3.25Å; A163-A167 WeakPolarHBondContact O-CB 3.4Å; A163-A167 PolarHBondContact O-N 2.81Å; A167-P169 VanDerWaalsContact C-CD 3.41Å |
| 168 | M | 89 | Confident | 85.9 | Confident | 97 Ų | 97 | 66.7 Ų | 66.7 | 48% | 0.478 | 33% | 0.325 | S | S | . | . | trans | -132.6 | 49.8 | -172.3 | -55 | -177.6 | 74.2 | 0 | 0 | 113.2 | V164 D170 W171 I172 | V164-M168 CarbonylContact O-C 3.45Å; V164-M168 WeakPolarHBondContact O-CA 3.31Å; V164-M168 PolarHBondContact O-N 2.89Å; M168-D170 VanDerWaalsContact C-N 3.33Å; M168-D170 PolarHBondContact O-N 3.46Å; M168-W171 HydrophobicContact CB-CB 4.18Å; M168-W171 HydrophobicContact CE-CB 4.27Å; M168-W171 HydrophobicContact CE-CG 4.28Å; M168-W171 PolarHBondContact O-N 2.91Å; M168-I172 PolarHBondContact O-N 3.34Å | ||
| 169 | P | 89 | Confident | 85.4 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.9 | -42.8 | -179.3 | 25.9 | -37.1 | 0 | 0 | 0 | 112.7 | W165 A167 W171 I172 L173 I186 S189 R190 | W165-P169 WeakPolarHBondContact O-CB 3.24Å; A167-P169 VanDerWaalsContact C-CD 3.41Å; P169-W171 VanDerWaalsContact C-N 3.3Å; P169-W171 PolarHBondContact O-N 3.05Å; P169-I172 PolarHBondContact O-N 3.47Å; P169-L173 WeakPolarHBondContact O-CB 3.44Å; P169-L173 WeakPolarHBondContact O-CG 3.37Å; P169-L173 PolarHBondContact O-N 3.25Å; P169-I186 HydrophobicContact CB-CD1 4.3Å; P169-I186 HydrophobicContact CB-CG2 4.34Å; P169-I186 HydrophobicContact CG-CB 4.39Å; P169-I186 HydrophobicContact CG-CD1 4.4Å; P169-I186 HydrophobicContact CG-CG2 3.5Å; P169-S189 VanDerWaalsContact CB-CB 3.47Å; P169-R190 HydrophobicContact CG-CG 4.1Å |
| 170 | D | 87.9 | Confident | 85.2 | Confident | 80 Ų | 80 | 71.8 Ų | 71.8 | 43% | 0.428 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -56.3 | -45 | 179.2 | -62.1 | -75.5 | 0 | 0 | 0 | 112 | M168 I172 L173 Y174 I186 | M168-D170 VanDerWaalsContact C-N 3.33Å; M168-D170 PolarHBondContact O-N 3.46Å; D170-I172 PolarHBondContact O-N 2.86Å; D170-L173 PolarHBondContact O-N 2.91Å; D170-Y174 WeakPolarHBondContact O-CB 3.39Å; D170-Y174 PolarHBondContact O-N 2.95Å; D170-I186 HydrophobicContact CB-CD1 4.34Å; D170-I186 VanDerWaalsContact CG-CD1 3.48Å; D170-I186 WeakPolarHBondContact OD1-CD1 3.11Å; D170-I186 VanDerWaalsContact OD1-CG1 3.3Å; D170-I186 WeakPolarHBondContact OD1-CG1 3.25Å |
| 171 | W | 86.6 | Confident | 85 | Confident | 120 Ų | 120 | 70.1 Ų | 70.1 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | -177.5 | 179.4 | 83.9 | 0 | 0 | 0 | 112.2 | V164 M168 P169 R175 | V164-W171 HydrophobicContact CG1-CE3 4.49Å; V164-W171 HydrophobicContact CG1-CZ3 4.31Å; M168-W171 HydrophobicContact CB-CB 4.18Å; M168-W171 HydrophobicContact CE-CB 4.27Å; M168-W171 HydrophobicContact CE-CG 4.28Å; M168-W171 PolarHBondContact O-N 2.91Å; P169-W171 VanDerWaalsContact C-N 3.3Å; P169-W171 PolarHBondContact O-N 3.05Å; W171-R175 VanDerWaalsContact CE2-CZ 3.45Å; W171-R175 WeakPolarHBondContact O-CG 3.44Å |
| 172 | I | 86.1 | Confident | 84.8 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 11% | 0.108 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.6 | -51.3 | 176.2 | -58.7 | 179.2 | 0 | 0 | 0 | 110.1 | V164 W165 M168 P169 D170 Y174 R175 Q176 | V164-I172 HydrophobicContact CB-CD1 4.37Å; V164-I172 HydrophobicContact CG1-CD1 3.74Å; V164-I172 HydrophobicContact CG1-CG1 4.07Å; W165-I172 HydrophobicContact CB-CD1 4.3Å; W165-I172 HydrophobicContact CD2-CD1 3.64Å; W165-I172 HydrophobicContact CE3-CD1 4.15Å; W165-I172 HydrophobicContact CG-CD1 3.71Å; W165-I172 HydrophobicContact CH2-CB 4.38Å; W165-I172 HydrophobicContact CH2-CG2 3.55Å; W165-I172 HydrophobicContact CZ2-CD1 4.31Å; W165-I172 HydrophobicContact CZ2-CG2 3.49Å; W165-I172 VanDerWaalsContact CZ2-CG2 3.49Å; W165-I172 HydrophobicContact CZ3-CG2 4.17Å; M168-I172 PolarHBondContact O-N 3.34Å; P169-I172 PolarHBondContact O-N 3.47Å; D170-I172 PolarHBondContact O-N 2.86Å; I172-Y174 PolarHBondContact O-N 2.97Å; I172-R175 WeakPolarHBondContact O-CB 3.43Å; I172-R175 PolarHBondContact O-N 3.22Å; I172-Q176 PolarHBondContact O-N 3.15Å |
| 173 | L | 85.2 | Confident | 84.6 | Confident | 2 Ų | 2 | 71.9 Ų | 71.9 | 1% | 0.01 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.2 | -40.5 | -174.8 | -74.4 | 179.3 | 0 | 0 | 0 | 111.9 | M72 W165 P169 D170 R175 Q176 V177 L181 H185 I186 S189 | M72-L173 HydrophobicContact SD-CD1 4.36Å; M72-L173 HydrophobicContact SD-CD2 4.03Å; W165-L173 HydrophobicContact CH2-CD2 4.16Å; W165-L173 HydrophobicContact CZ3-CD2 4.01Å; W165-L173 HydrophobicContact CZ3-CG 4.28Å; P169-L173 WeakPolarHBondContact O-CB 3.44Å; P169-L173 WeakPolarHBondContact O-CG 3.37Å; P169-L173 PolarHBondContact O-N 3.25Å; D170-L173 PolarHBondContact O-N 2.91Å; L173-R175 PolarHBondContact O-N 3.47Å; L173-R175 VanDerWaalsContact O-N 3.15Å; L173-Q176 CarbonylContact O-C 3.57Å; L173-Q176 WeakPolarHBondContact O-CA 3.25Å; L173-Q176 WeakPolarHBondContact O-CB 3.3Å; L173-Q176 PolarHBondContact O-N 3.5Å; L173-V177 WeakPolarHBondContact O-CG2 3.47Å; L173-V177 PolarHBondContact O-N 3.47Å; L173-L181 HydrophobicContact CB-CD1 3.37Å; L173-L181 HydrophobicContact CB-CD2 4.08Å; L173-L181 HydrophobicContact CB-CG 4.36Å; L173-L181 HydrophobicContact CD1-CD1 4.05Å; L173-L181 HydrophobicContact CD1-CD2 3.96Å; L173-L181 HydrophobicContact CG-CD1 4.41Å; L173-H185 HydrophobicContact CD1-CB 4.05Å; L173-I186 HydrophobicContact CD1-CD1 4.1Å; L173-S189 VanDerWaalsContact CD1-OG 3.25Å; L173-S189 WeakPolarHBondContact CD1-OG 3.41Å |
| 174 | Y | 82.5 | Confident | 84.4 | Confident | 185 Ų | 185 | 70.1 Ų | 70.1 | 73% | 0.725 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -59.4 | -28.3 | 178.2 | -173 | -96.5 | 0 | 0 | 0 | 112.8 | D170 I172 Q176 | D170-Y174 WeakPolarHBondContact O-CB 3.39Å; D170-Y174 PolarHBondContact O-N 2.95Å; I172-Y174 PolarHBondContact O-N 2.97Å; Y174-Q176 VanDerWaalsContact C-N 3.32Å |
| 175 | R | 80.4 | Confident | 84.4 | Confident | 174 Ų | 174 | 67.7 Ų | 67.7 | 66% | 0.657 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -77.1 | -19.9 | 174.3 | -69 | 176.8 | 171.8 | -154.1 | -6.3 | 113.2 | W171 I172 L173 | W171-R175 VanDerWaalsContact CE2-CZ 3.45Å; W171-R175 WeakPolarHBondContact O-CG 3.44Å; I172-R175 WeakPolarHBondContact O-CB 3.43Å; I172-R175 PolarHBondContact O-N 3.22Å; L173-R175 PolarHBondContact O-N 3.47Å; L173-R175 VanDerWaalsContact O-N 3.15Å |
| 176 | Q | 79.6 | Confident | 84.3 | Confident | 82 Ų | 82 | 68.1 Ų | 68.1 | 38% | 0.383 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -99.9 | -31.4 | -176.5 | -66 | 178 | -24.7 | 0 | 0 | 112.3 | I172 L173 Y174 F233 | I172-Q176 PolarHBondContact O-N 3.15Å; L173-Q176 CarbonylContact O-C 3.57Å; L173-Q176 WeakPolarHBondContact O-CA 3.25Å; L173-Q176 WeakPolarHBondContact O-CB 3.3Å; L173-Q176 PolarHBondContact O-N 3.5Å; Y174-Q176 VanDerWaalsContact C-N 3.32Å; Q176-F233 VanDerWaalsContact NE2-CD1 3.29Å |
| 177 | V | 81 | Confident | 84.1 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | trans | -127.7 | 143.4 | -172.4 | -46.9 | 0 | 0 | 0 | 0 | 112.7 | V68 L173 F179 L181 F239 | V68-V177 HydrophobicContact CG1-CG1 4.46Å; V68-V177 HydrophobicContact CG2-CG1 4.32Å; L173-V177 WeakPolarHBondContact O-CG2 3.47Å; L173-V177 PolarHBondContact O-N 3.47Å; V177-F179 HydrophobicContact CB-CD1 3.76Å; V177-F179 HydrophobicContact CB-CE1 3.33Å; V177-F179 HydrophobicContact CB-CZ 4.02Å; V177-F179 HydrophobicContact CG1-CE1 3.79Å; V177-F179 HydrophobicContact CG1-CZ 4.3Å; V177-F179 HydrophobicContact CG2-CD1 3.95Å; V177-F179 HydrophobicContact CG2-CE1 3.52Å; V177-F179 HydrophobicContact CG2-CE2 4.38Å; V177-F179 HydrophobicContact CG2-CZ 3.72Å; V177-L181 HydrophobicContact CG2-CD2 3.6Å; V177-L181 HydrophobicContact CG2-CG 4.17Å; V177-F239 HydrophobicContact CG1-CE1 4Å; V177-F239 HydrophobicContact CG1-CZ 3.54Å | ||
| 178 | K | 77.2 | Confident | 84 | Confident | 212 Ų | 212 | 64.7 Ų | 64.7 | 92% | 0.922 | 30% | 0.299 | S | S | * | . | trans | -104.3 | 23.5 | -177 | -63.5 | -171.7 | 176.9 | -175 | 0 | 114 | ||||
| 179 | F | 77.2 | Confident | 84 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 19% | 0.193 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -124.2 | 158.2 | -179.9 | 67.4 | -92.7 | 0 | 0 | 0 | 109.3 | D66 V68 V177 L181 H185 | D66-F179 WeakPolarHBondContact OD2-CE2 3.38Å; V68-F179 HydrophobicContact CB-CE1 4.06Å; V68-F179 HydrophobicContact CB-CZ 3.5Å; V68-F179 HydrophobicContact CG1-CZ 3.91Å; V68-F179 HydrophobicContact CG2-CD1 4.45Å; V68-F179 HydrophobicContact CG2-CE1 3.18Å; V68-F179 HydrophobicContact CG2-CE2 4.4Å; V68-F179 HydrophobicContact CG2-CZ 3.17Å; V177-F179 HydrophobicContact CB-CD1 3.76Å; V177-F179 HydrophobicContact CB-CE1 3.33Å; V177-F179 HydrophobicContact CB-CZ 4.02Å; V177-F179 HydrophobicContact CG1-CE1 3.79Å; V177-F179 HydrophobicContact CG1-CZ 4.3Å; V177-F179 HydrophobicContact CG2-CD1 3.95Å; V177-F179 HydrophobicContact CG2-CE1 3.52Å; V177-F179 HydrophobicContact CG2-CE2 4.38Å; V177-F179 HydrophobicContact CG2-CZ 3.72Å; F179-L181 HydrophobicContact CE2-CD2 4.1Å; F179-L181 HydrophobicContact CZ-CD2 4.22Å; F179-L181 PolarHBondContact O-N 3.25Å; F179-H185 AromaticContact CE2-CE1 3.62Å; F179-H185 AromaticContact CE2-NE2 3.48Å; F179-H185 WeakPolarHBondContact CE2-NE2 3.46Å; F179-H185 AromaticContact CZ-NE2 3.72Å |
| 180 | P | 81.8 | Confident | 83.9 | Confident | 118 Ų | 118 | 65.2 Ų | 65.2 | 77% | 0.766 | 30% | 0.295 | S | S | * | . | trans | -60.5 | 122 | -179.6 | 24 | -34.2 | 0 | 0 | 0 | 110.5 | ||||
| 181 | L | 83.7 | Confident | 83.9 | Confident | 41 Ų | 41 | 63.1 Ų | 63.1 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | trans | -78.1 | 140.1 | 170.7 | -63.2 | 170.9 | 0 | 0 | 0 | 108.6 | L173 V177 F179 H185 I186 | L173-L181 HydrophobicContact CB-CD1 3.37Å; L173-L181 HydrophobicContact CB-CD2 4.08Å; L173-L181 HydrophobicContact CB-CG 4.36Å; L173-L181 HydrophobicContact CD1-CD1 4.05Å; L173-L181 HydrophobicContact CD1-CD2 3.96Å; L173-L181 HydrophobicContact CG-CD1 4.41Å; V177-L181 HydrophobicContact CG2-CD2 3.6Å; V177-L181 HydrophobicContact CG2-CG 4.17Å; F179-L181 HydrophobicContact CE2-CD2 4.1Å; F179-L181 HydrophobicContact CZ-CD2 4.22Å; F179-L181 PolarHBondContact O-N 3.25Å; L181-H185 HydrophobicContact CD2-CB 3.97Å; L181-I186 HydrophobicContact CB-CD1 4.42Å; L181-I186 HydrophobicContact CD1-CD1 4.41Å | ||
| 182 | N | 83.9 | Confident | 84 | Confident | 29 Ų | 29 | 57.8 Ų | 57.8 | 16% | 0.155 | 26% | 0.264 | C | S | . | . | trans | -113.3 | 170.9 | 171.8 | 65.2 | 12.9 | 0 | 0 | 0 | 109.7 | E63 S184 H185 I186 | E63-N182 PolarHBondContact OE2-ND2 3.34Å; N182-S184 PolarHBondContact O-N 3.34Å; N182-S184 PolarHBondContact OD1-N 3.27Å; N182-S184 PolarHBondContact OD1-OG 2.91Å; N182-H185 PolarHBondContact N-ND1 3.3Å; N182-H185 WeakPolarHBondContact O-CB 3.22Å; N182-H185 PolarHBondContact O-N 2.89Å; N182-H185 PolarHBondContact OD1-CE1 3.11Å; N182-H185 PolarHBondContact OD1-N 3.4Å; N182-H185 PolarHBondContact OD1-ND1 2.84Å; N182-I186 PolarHBondContact O-N 3.18Å | ||
| 183 | D | 83.5 | Confident | 84.1 | Confident | 75 Ų | 75 | 56.8 Ų | 56.8 | 40% | 0.401 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.2 | -27.3 | -174.3 | -65.2 | -29.6 | 0 | 0 | 0 | 113.6 | F60 I186 F187 | F60-D183 HydrophobicContact CB-CB 4.49Å; F60-D183 HydrophobicContact CD1-CB 3.72Å; F60-D183 HydrophobicContact CE1-CB 4.47Å; D183-I186 WeakPolarHBondContact O-CB 3.18Å; D183-I186 PolarHBondContact O-N 2.9Å; D183-F187 WeakPolarHBondContact O-CB 3.21Å; D183-F187 PolarHBondContact O-N 3.49Å |
| 184 | S | 84.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.5 | -32.3 | -179.6 | 65.9 | 0 | 0 | 0 | 0 | 113.4 | F62 H69 N182 I186 F187 V188 | F62-S184 VanDerWaalsContact CE1-CB 3.44Å; H69-S184 PolarHBondContact CE1-OG 3.45Å; H69-S184 WeakPolarHBondContact NE2-CB 3.48Å; H69-S184 PolarHBondContact NE2-OG 2.84Å; N182-S184 PolarHBondContact O-N 3.34Å; N182-S184 PolarHBondContact OD1-N 3.27Å; N182-S184 PolarHBondContact OD1-OG 2.91Å; S184-I186 VanDerWaalsContact C-N 3.27Å; S184-I186 PolarHBondContact O-N 3.37Å; S184-F187 PolarHBondContact O-N 3.37Å; S184-V188 VanDerWaalsContact O-CG2 3.3Å; S184-V188 WeakPolarHBondContact O-CG2 3.18Å; S184-V188 PolarHBondContact O-N 3.13Å; S184-V188 VanDerWaalsContact O-N 3.08Å |
| 185 | H | 86.6 | Confident | 84.6 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.009 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -40.4 | 169.3 | -67.3 | 97.8 | 0 | 0 | 0 | 111.5 | D66 H69 M72 L173 F179 L181 N182 S189 | D66-H185 IonicContact OD1-CE1 3.88Å; D66-H185 IonicContact OD1-NE2 3.15Å; D66-H185 PolarHBondContact OD1-NE2 2.95Å; D66-H185 VanDerWaalsContact OD1-NE2 3.15Å; D66-H185 IonicContact OD2-CE1 3.45Å; D66-H185 PolarHBondContact OD2-CE1 2.84Å; D66-H185 IonicContact OD2-NE2 3.23Å; D66-H185 PolarHBondContact OD2-NE2 3.5Å; H69-H185 AromaticContact CE1-CD2 3.57Å; H69-H185 AromaticContact CE1-CE1 3.04Å; H69-H185 PolarHBondContact CE1-CE1 3.42Å; H69-H185 AromaticContact CE1-CG 3.63Å; H69-H185 AromaticContact CE1-ND1 3.3Å; H69-H185 PolarHBondContact CE1-ND1 2.79Å; H69-H185 VanDerWaalsContact CE1-ND1 3.3Å; H69-H185 AromaticContact CE1-NE2 3.2Å; H69-H185 PolarHBondContact CE1-NE2 2.85Å; H69-H185 AromaticContact ND1-CD2 3.78Å; H69-H185 AromaticContact ND1-CE1 3.54Å; H69-H185 AromaticContact ND1-NE2 3.26Å; H69-H185 PolarHBondContact ND1-NE2 3.38Å; H69-H185 AromaticContact NE2-CD2 3.85Å; H69-H185 AromaticContact NE2-CE1 3.88Å; H69-H185 AromaticContact NE2-CG 3.71Å; H69-H185 PolarHBondContact NE2-N 3.37Å; H69-H185 AromaticContact NE2-ND1 3.72Å; H69-H185 AromaticContact NE2-NE2 3.95Å; M72-H185 HydrophobicContact CE-CB 4.12Å; L173-H185 HydrophobicContact CD1-CB 4.05Å; F179-H185 AromaticContact CE2-CE1 3.62Å; F179-H185 AromaticContact CE2-NE2 3.48Å; F179-H185 WeakPolarHBondContact CE2-NE2 3.46Å; F179-H185 AromaticContact CZ-NE2 3.72Å; L181-H185 HydrophobicContact CD2-CB 3.97Å; N182-H185 PolarHBondContact N-ND1 3.3Å; N182-H185 WeakPolarHBondContact O-CB 3.22Å; N182-H185 PolarHBondContact O-N 2.89Å; N182-H185 PolarHBondContact OD1-CE1 3.11Å; N182-H185 PolarHBondContact OD1-N 3.4Å; N182-H185 PolarHBondContact OD1-ND1 2.84Å; H185-S189 VanDerWaalsContact O-CB 3.3Å; H185-S189 WeakPolarHBondContact O-CB 3.39Å; H185-S189 PolarHBondContact O-N 2.92Å; H185-S189 PolarHBondContact O-OG 3.41Å |
| 186 | I | 87.1 | Confident | 85 | Confident | 14 Ų | 14 | 41.5 Ų | 41.5 | 7% | 0.072 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.7 | -45.4 | -178.7 | -56.9 | -39.5 | 0 | 0 | 0 | 109.5 | P169 D170 L173 L181 N182 D183 S184 S189 R190 | P169-I186 HydrophobicContact CB-CD1 4.3Å; P169-I186 HydrophobicContact CB-CG2 4.34Å; P169-I186 HydrophobicContact CG-CB 4.39Å; P169-I186 HydrophobicContact CG-CD1 4.4Å; P169-I186 HydrophobicContact CG-CG2 3.5Å; D170-I186 HydrophobicContact CB-CD1 4.34Å; D170-I186 VanDerWaalsContact CG-CD1 3.48Å; D170-I186 WeakPolarHBondContact OD1-CD1 3.11Å; D170-I186 VanDerWaalsContact OD1-CG1 3.3Å; D170-I186 WeakPolarHBondContact OD1-CG1 3.25Å; L173-I186 HydrophobicContact CD1-CD1 4.1Å; L181-I186 HydrophobicContact CB-CD1 4.42Å; L181-I186 HydrophobicContact CD1-CD1 4.41Å; N182-I186 PolarHBondContact O-N 3.18Å; D183-I186 WeakPolarHBondContact O-CB 3.18Å; D183-I186 PolarHBondContact O-N 2.9Å; S184-I186 VanDerWaalsContact C-N 3.27Å; S184-I186 PolarHBondContact O-N 3.37Å; I186-S189 PolarHBondContact O-N 3.39Å; I186-R190 VanDerWaalsContact O-CG 3.32Å; I186-R190 WeakPolarHBondContact O-CG 3.32Å; I186-R190 PolarHBondContact O-N 3.36Å |
| 187 | F | 85.2 | Confident | 85.4 | Confident | 49 Ų | 49 | 37.9 Ų | 37.9 | 22% | 0.215 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -58 | -51.6 | 175.8 | 177.9 | -101.2 | 0 | 0 | 0 | 112.5 | F53 D183 S184 S189 R190 L191 | F53-F187 HydrophobicContact CD1-CZ 4.42Å; F53-F187 AromaticContact CE1-CE1 3.89Å; F53-F187 HydrophobicContact CE1-CE1 3.89Å; F53-F187 AromaticContact CE1-CE2 3.91Å; F53-F187 HydrophobicContact CE1-CE2 3.91Å; F53-F187 AromaticContact CE1-CZ 3.43Å; F53-F187 HydrophobicContact CE1-CZ 3.43Å; F53-F187 VanDerWaalsContact CE1-CZ 3.43Å; F53-F187 AromaticContact CE2-CE1 3.81Å; F53-F187 HydrophobicContact CE2-CE1 3.81Å; F53-F187 HydrophobicContact CE2-CZ 4.08Å; F53-F187 AromaticContact CZ-CE1 3.47Å; F53-F187 HydrophobicContact CZ-CE1 3.47Å; F53-F187 VanDerWaalsContact CZ-CE1 3.47Å; F53-F187 HydrophobicContact CZ-CE2 4.19Å; F53-F187 AromaticContact CZ-CZ 3.25Å; F53-F187 HydrophobicContact CZ-CZ 3.25Å; D183-F187 WeakPolarHBondContact O-CB 3.21Å; D183-F187 PolarHBondContact O-N 3.49Å; S184-F187 PolarHBondContact O-N 3.37Å; F187-S189 VanDerWaalsContact C-N 3.27Å; F187-S189 PolarHBondContact O-N 3.44Å; F187-R190 WeakPolarHBondContact O-CB 3.42Å; F187-R190 PolarHBondContact O-N 3.35Å; F187-L191 PolarHBondContact O-N 3.35Å |
| 188 | V | 86 | Confident | 85.9 | Confident | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.03 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.6 | -35.9 | -180 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | M45 M72 S184 L191 F192 | M45-V188 HydrophobicContact CE-CG2 3.39Å; M45-V188 HydrophobicContact SD-CG2 4.49Å; M72-V188 HydrophobicContact CB-CG1 3.69Å; M72-V188 HydrophobicContact CE-CB 4.12Å; M72-V188 HydrophobicContact CE-CG1 4.21Å; M72-V188 HydrophobicContact SD-CG1 4.49Å; S184-V188 VanDerWaalsContact O-CG2 3.3Å; S184-V188 WeakPolarHBondContact O-CG2 3.18Å; S184-V188 PolarHBondContact O-N 3.13Å; S184-V188 VanDerWaalsContact O-N 3.08Å; V188-L191 WeakPolarHBondContact O-CB 3.22Å; V188-L191 PolarHBondContact O-N 2.96Å; V188-F192 PolarHBondContact O-N 3.36Å |
| 189 | S | 87.5 | Confident | 86.4 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.6 | -40 | 175.7 | -66.3 | 0 | 0 | 0 | 0 | 112.5 | M72 P169 L173 H185 I186 F187 F192 G193 | M72-S189 PolarHBondContact SD-OG 3.4Å; M72-S189 VanDerWaalsContact SD-OG 3.42Å; P169-S189 VanDerWaalsContact CB-CB 3.47Å; L173-S189 VanDerWaalsContact CD1-OG 3.25Å; L173-S189 WeakPolarHBondContact CD1-OG 3.41Å; H185-S189 VanDerWaalsContact O-CB 3.3Å; H185-S189 WeakPolarHBondContact O-CB 3.39Å; H185-S189 PolarHBondContact O-N 2.92Å; H185-S189 PolarHBondContact O-OG 3.41Å; I186-S189 PolarHBondContact O-N 3.39Å; F187-S189 VanDerWaalsContact C-N 3.27Å; F187-S189 PolarHBondContact O-N 3.44Å; S189-F192 WeakPolarHBondContact O-CB 3.26Å; S189-F192 PolarHBondContact O-N 3.16Å; S189-G193 PolarHBondContact O-N 3.39Å |
| 190 | R | 88.7 | Confident | 86.9 | Confident | 109 Ų | 109 | 25.9 Ų | 25.9 | 41% | 0.411 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -63.2 | -44.3 | 172.4 | -71.8 | -176 | 176 | 169.6 | 4.8 | 111.4 | F166 P169 I186 F187 F192 G193 A194 | F166-R190 HydrophobicContact CD2-CB 4.09Å; F166-R190 WeakPolarHBondContact CD2-O 3.31Å; F166-R190 HydrophobicContact CE2-CB 4.27Å; F166-R190 WeakPolarHBondContact O-CG 3.26Å; F166-R190 PolarHBondContact O-NE 3.02Å; P169-R190 HydrophobicContact CG-CG 4.1Å; I186-R190 VanDerWaalsContact O-CG 3.32Å; I186-R190 WeakPolarHBondContact O-CG 3.32Å; I186-R190 PolarHBondContact O-N 3.36Å; F187-R190 WeakPolarHBondContact O-CB 3.42Å; F187-R190 PolarHBondContact O-N 3.35Å; R190-F192 VanDerWaalsContact C-N 3.3Å; R190-F192 PolarHBondContact O-N 2.95Å; R190-G193 PolarHBondContact O-N 2.83Å; R190-G193 VanDerWaalsContact O-N 3.11Å; R190-A194 WeakPolarHBondContact O-CB 3.45Å; R190-A194 PolarHBondContact O-N 3.27Å |
| 191 | L | 87.7 | Confident | 87.2 | Confident | 35 Ų | 35 | 20.5 Ų | 20.5 | 18% | 0.183 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.3 | -47 | 176 | -172 | 61.1 | 0 | 0 | 0 | 111 | L76 I113 F187 V188 G193 A194 Y195 | L76-L191 HydrophobicContact CD2-CD2 3.5Å; L76-L191 HydrophobicContact CD2-CG 3.94Å; I113-L191 HydrophobicContact CD1-CD1 3.27Å; I113-L191 HydrophobicContact CG1-CD1 3.72Å; F187-L191 PolarHBondContact O-N 3.35Å; V188-L191 WeakPolarHBondContact O-CB 3.22Å; V188-L191 PolarHBondContact O-N 2.96Å; L191-G193 PolarHBondContact O-N 3.28Å; L191-A194 PolarHBondContact O-N 3.39Å; L191-Y195 HydrophobicContact CD1-CD2 3.96Å; L191-Y195 HydrophobicContact CD1-CE2 3.54Å; L191-Y195 HydrophobicContact CG-CD2 4.09Å; L191-Y195 HydrophobicContact CG-CE2 3.98Å; L191-Y195 VanDerWaalsContact O-CD2 3.26Å; L191-Y195 WeakPolarHBondContact O-CD2 3.31Å; L191-Y195 PolarHBondContact O-N 2.8Å; L191-Y195 VanDerWaalsContact O-N 3.08Å |
| 192 | F | 88.2 | Confident | 87.4 | Confident | 9 Ų | 9 | 18.6 Ų | 18.6 | 4% | 0.039 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58 | -48.3 | 174.1 | 175 | -93 | 0 | 0 | 0 | 112.3 | V79 W165 V188 S189 R190 A194 Y195 L196 Y229 | V79-F192 HydrophobicContact CG2-CD2 4.27Å; V79-F192 HydrophobicContact CG2-CE2 3.73Å; W165-F192 HydrophobicContact CB-CD1 4.28Å; W165-F192 AromaticContact CD1-CE1 3.93Å; W165-F192 AromaticContact CD2-CD1 3.83Å; W165-F192 HydrophobicContact CD2-CD1 3.83Å; W165-F192 HydrophobicContact CD2-CE1 4.08Å; W165-F192 HydrophobicContact CE3-CD1 4.17Å; W165-F192 AromaticContact CG-CD1 3.86Å; W165-F192 HydrophobicContact CG-CD1 3.86Å; W165-F192 AromaticContact CG-CE1 3.99Å; W165-F192 HydrophobicContact CG-CE1 3.99Å; W165-F192 AromaticContact NE1-CE1 3.99Å; V188-F192 PolarHBondContact O-N 3.36Å; S189-F192 WeakPolarHBondContact O-CB 3.26Å; S189-F192 PolarHBondContact O-N 3.16Å; R190-F192 VanDerWaalsContact C-N 3.3Å; R190-F192 PolarHBondContact O-N 2.95Å; F192-A194 PolarHBondContact O-N 2.9Å; F192-Y195 PolarHBondContact O-N 3.06Å; F192-L196 HydrophobicContact CE1-CD2 4.05Å; F192-L196 HydrophobicContact CZ-CD2 4.2Å; F192-L196 WeakPolarHBondContact O-CB 3.18Å; F192-L196 PolarHBondContact O-N 2.65Å; F192-Y229 HydrophobicContact CE1-CD2 4.03Å; F192-Y229 AromaticContact CE1-CE2 3.59Å; F192-Y229 HydrophobicContact CE1-CE2 3.59Å; F192-Y229 AromaticContact CE2-CD2 4Å; F192-Y229 HydrophobicContact CE2-CD2 4Å; F192-Y229 HydrophobicContact CE2-CE2 4.35Å; F192-Y229 AromaticContact CZ-CD2 3.27Å; F192-Y229 HydrophobicContact CZ-CD2 3.27Å; F192-Y229 AromaticContact CZ-CE2 3.34Å; F192-Y229 HydrophobicContact CZ-CE2 3.34Å; F192-Y229 HydrophobicContact CZ-CG 4.43Å |
| 193 | G | 88.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -58.6 | -45.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G162 S189 R190 L191 L196 M197 | G162-G193 WeakPolarHBondContact CA-O 3.17Å; G162-G193 VanDerWaalsContact O-CA 3.27Å; G162-G193 WeakPolarHBondContact O-CA 3.39Å; S189-G193 PolarHBondContact O-N 3.39Å; R190-G193 PolarHBondContact O-N 2.83Å; R190-G193 VanDerWaalsContact O-N 3.11Å; L191-G193 PolarHBondContact O-N 3.28Å; G193-L196 PolarHBondContact O-N 3.48Å; G193-M197 WeakPolarHBondContact O-CG 3.32Å; G193-M197 PolarHBondContact O-N 2.9Å |
| 194 | A | 89.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -58.3 | -49.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | W112 I113 F166 R190 L191 F192 L196 M197 A198 | W112-A194 HydrophobicContact CB-CB 3.58Å; W112-A194 HydrophobicContact CG-CB 4.42Å; I113-A194 HydrophobicContact CG1-CB 3.96Å; F166-A194 HydrophobicContact CD2-CB 4.01Å; F166-A194 HydrophobicContact CE2-CB 4.16Å; R190-A194 WeakPolarHBondContact O-CB 3.45Å; R190-A194 PolarHBondContact O-N 3.27Å; L191-A194 PolarHBondContact O-N 3.39Å; F192-A194 PolarHBondContact O-N 2.9Å; A194-L196 PolarHBondContact O-N 2.91Å; A194-M197 PolarHBondContact O-N 2.94Å; A194-A198 WeakPolarHBondContact O-CB 3.32Å; A194-A198 PolarHBondContact O-N 2.85Å |
| 195 | Y | 89.4 | Confident | 87.7 | Confident | 27 Ų | 27 | 16.8 Ų | 16.8 | 11% | 0.106 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65.6 | -38.1 | 177.4 | -83.2 | -70.2 | 0 | 0 | 0 | 112.5 | F30 L76 F80 S109 I113 L191 F192 A198 T199 | F30-Y195 HydrophobicContact CZ-CE1 4.48Å; L76-Y195 HydrophobicContact CD1-CD2 3.93Å; F80-Y195 HydrophobicContact CD1-CE1 4.5Å; F80-Y195 AromaticContact CE1-CD1 3.77Å; F80-Y195 HydrophobicContact CE1-CD1 3.77Å; F80-Y195 HydrophobicContact CE1-CD2 4.04Å; F80-Y195 AromaticContact CE1-CE1 3.43Å; F80-Y195 HydrophobicContact CE1-CE1 3.43Å; F80-Y195 VanDerWaalsContact CE1-CE1 3.43Å; F80-Y195 AromaticContact CE1-CE2 3.7Å; F80-Y195 HydrophobicContact CE1-CE2 3.7Å; F80-Y195 HydrophobicContact CE1-CG 4.08Å; F80-Y195 AromaticContact CE1-CZ 3.39Å; F80-Y195 HydrophobicContact CZ-CD1 4.48Å; F80-Y195 AromaticContact CZ-CD2 3.97Å; F80-Y195 HydrophobicContact CZ-CD2 3.97Å; F80-Y195 HydrophobicContact CZ-CE1 4.03Å; F80-Y195 AromaticContact CZ-CE2 3.43Å; F80-Y195 HydrophobicContact CZ-CE2 3.43Å; F80-Y195 VanDerWaalsContact CZ-CE2 3.43Å; F80-Y195 HydrophobicContact CZ-CG 4.46Å; F80-Y195 AromaticContact CZ-CZ 3.48Å; F80-Y195 VanDerWaalsContact CZ-CZ 3.48Å; S109-Y195 VanDerWaalsContact CB-CE1 3.45Å; S109-Y195 VanDerWaalsContact OG-CE1 3.31Å; S109-Y195 WeakPolarHBondContact OG-CE1 3.37Å; I113-Y195 HydrophobicContact CD1-CE2 3.91Å; L191-Y195 HydrophobicContact CD1-CD2 3.96Å; L191-Y195 HydrophobicContact CD1-CE2 3.54Å; L191-Y195 HydrophobicContact CG-CD2 4.09Å; L191-Y195 HydrophobicContact CG-CE2 3.98Å; L191-Y195 VanDerWaalsContact O-CD2 3.26Å; L191-Y195 WeakPolarHBondContact O-CD2 3.31Å; L191-Y195 PolarHBondContact O-N 2.8Å; L191-Y195 VanDerWaalsContact O-N 3.08Å; F192-Y195 PolarHBondContact O-N 3.06Å; Y195-A198 PolarHBondContact O-N 3.27Å; Y195-T199 WeakPolarHBondContact O-CG2 3.38Å; Y195-T199 PolarHBondContact O-N 3.11Å; Y195-T199 VanDerWaalsContact O-N 3.14Å |
| 196 | L | 88 | Confident | 87.6 | Confident | 13 Ų | 13 | 16.7 Ų | 16.7 | 7% | 0.068 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.1 | -45 | 176.7 | -173.5 | 61.1 | 0 | 0 | 0 | 111.2 | I161 F192 G193 A194 A198 T199 V225 | I161-L196 HydrophobicContact CB-CD2 4.07Å; I161-L196 HydrophobicContact CG2-CD2 3.63Å; F192-L196 HydrophobicContact CE1-CD2 4.05Å; F192-L196 HydrophobicContact CZ-CD2 4.2Å; F192-L196 WeakPolarHBondContact O-CB 3.18Å; F192-L196 PolarHBondContact O-N 2.65Å; G193-L196 PolarHBondContact O-N 3.48Å; A194-L196 PolarHBondContact O-N 2.91Å; L196-A198 VanDerWaalsContact C-N 3.33Å; L196-A198 PolarHBondContact O-N 3.36Å; L196-T199 PolarHBondContact O-N 3.06Å; L196-T199 VanDerWaalsContact O-N 3.16Å; L196-T199 PolarHBondContact O-OG1 2.86Å; L196-V225 HydrophobicContact CD1-CG1 4.31Å |
| 197 | M | 88.8 | Confident | 87.4 | Confident | 6 Ų | 6 | 16.5 Ų | 16.5 | 3% | 0.03 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 174 | -70.6 | -171.1 | -68.6 | 0 | 0 | 111.5 | W112 G162 A163 F166 G193 A194 T199 S200 | W112-M197 HydrophobicContact CB-CE 4.37Å; W112-M197 HydrophobicContact CD2-CE 3.62Å; W112-M197 HydrophobicContact CE3-CE 4.01Å; W112-M197 HydrophobicContact CG-CE 3.75Å; W112-M197 HydrophobicContact CZ2-SD 4.4Å; G162-M197 VanDerWaalsContact C-CG 3.46Å; A163-M197 VanDerWaalsContact CA-SD 3.57Å; A163-M197 HydrophobicContact CB-SD 3.81Å; F166-M197 HydrophobicContact CB-CE 3.79Å; F166-M197 HydrophobicContact CD1-CE 4.36Å; F166-M197 HydrophobicContact CD2-CE 4.06Å; F166-M197 HydrophobicContact CG-CE 3.81Å; G193-M197 WeakPolarHBondContact O-CG 3.32Å; G193-M197 PolarHBondContact O-N 2.9Å; A194-M197 PolarHBondContact O-N 2.94Å; M197-T199 PolarHBondContact O-N 3.41Å; M197-S200 WeakPolarHBondContact O-CB 2.87Å; M197-S200 PolarHBondContact O-N 3.39Å; M197-S200 PolarHBondContact O-OG 3.33Å |
| 198 | A | 89.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -60.7 | -26.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S105 Q108 A194 Y195 L196 S200 V201 | S105-A198 WeakPolarHBondContact O-CB 3.33Å; S105-A198 VanDerWaalsContact OG-C 3.31Å; S105-A198 PolarHBondContact OG-O 2.96Å; Q108-A198 HydrophobicContact CB-CB 4.24Å; Q108-A198 HydrophobicContact CG-CB 4.31Å; A194-A198 WeakPolarHBondContact O-CB 3.32Å; A194-A198 PolarHBondContact O-N 2.85Å; Y195-A198 PolarHBondContact O-N 3.27Å; L196-A198 VanDerWaalsContact C-N 3.33Å; L196-A198 PolarHBondContact O-N 3.36Å; A198-S200 PolarHBondContact O-N 3.11Å; A198-V201 WeakPolarHBondContact O-CG2 3.3Å; A198-V201 PolarHBondContact O-N 3.06Å |
| 199 | T | 89 | Confident | 87.4 | Confident | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.006 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -15.1 | 175.7 | 70.9 | 0 | 0 | 0 | 0 | 113.8 | Q83 Y195 L196 M197 V201 Y202 W218 R222 | Q83-T199 HydrophobicContact CG-CG2 4.48Å; Y195-T199 WeakPolarHBondContact O-CG2 3.38Å; Y195-T199 PolarHBondContact O-N 3.11Å; Y195-T199 VanDerWaalsContact O-N 3.14Å; L196-T199 PolarHBondContact O-N 3.06Å; L196-T199 VanDerWaalsContact O-N 3.16Å; L196-T199 PolarHBondContact O-OG1 2.86Å; M197-T199 PolarHBondContact O-N 3.41Å; T199-V201 PolarHBondContact O-N 2.84Å; T199-Y202 WeakPolarHBondContact O-CD2 3.45Å; T199-Y202 PolarHBondContact O-N 3.23Å; T199-W218 VanDerWaalsContact O-CH2 3.3Å; T199-W218 WeakPolarHBondContact O-CH2 3.47Å; T199-W218 WeakPolarHBondContact O-CZ2 3.36Å; T199-R222 PolarHBondContact OG1-NH1 3.4Å |
| 200 | S | 88.6 | Confident | 87.3 | Confident | 9 Ų | 9 | 22.3 Ų | 22.3 | 6% | 0.063 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.5 | -26.7 | 175.7 | 67.6 | 0 | 0 | 0 | 0 | 113.1 | S155 T159 M197 A198 Y202 S203 S204 | S155-S200 PolarHBondContact OG-O 2.81Å; T159-S200 WeakPolarHBondContact OG1-CB 3.48Å; M197-S200 WeakPolarHBondContact O-CB 2.87Å; M197-S200 PolarHBondContact O-N 3.39Å; M197-S200 PolarHBondContact O-OG 3.33Å; A198-S200 PolarHBondContact O-N 3.11Å; S200-Y202 VanDerWaalsContact C-N 3.33Å; S200-Y202 PolarHBondContact O-N 2.93Å; S200-S203 PolarHBondContact O-N 3.09Å; S200-S204 PolarHBondContact O-N 3.21Å |
| 201 | V | 88 | Confident | 87.1 | Confident | 6 Ų | 6 | 20 Ų | 20 | 4% | 0.036 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -53.1 | -51.5 | 177.8 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | T104 A198 T199 S203 S204 R205 | T104-V201 HydrophobicContact CG2-CG1 4.12Å; T104-V201 HydrophobicContact CG2-CG2 4.22Å; A198-V201 WeakPolarHBondContact O-CG2 3.3Å; A198-V201 PolarHBondContact O-N 3.06Å; T199-V201 PolarHBondContact O-N 2.84Å; V201-S203 VanDerWaalsContact C-N 3.33Å; V201-S203 PolarHBondContact O-N 3.26Å; V201-S204 PolarHBondContact O-N 3.3Å; V201-S204 PolarHBondContact O-OG 3.25Å; V201-R205 WeakPolarHBondContact O-CB 3.32Å; V201-R205 WeakPolarHBondContact O-CG 3.42Å; V201-R205 PolarHBondContact O-N 3.48Å |
| 202 | Y | 88 | Confident | 87.1 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.4 | -37.8 | -176 | -54.3 | -70.1 | 0 | 0 | 0 | 111.5 | W90 S101 V102 S105 R106 T199 S200 R205 C206 W218 | W90-Y202 AromaticContact CH2-CD1 3.55Å; W90-Y202 HydrophobicContact CH2-CD1 3.55Å; W90-Y202 AromaticContact CH2-CE1 3.95Å; W90-Y202 HydrophobicContact CH2-CE1 3.95Å; W90-Y202 HydrophobicContact CH2-CG 4.36Å; W90-Y202 AromaticContact CZ3-CD1 3.7Å; W90-Y202 HydrophobicContact CZ3-CD1 3.7Å; W90-Y202 AromaticContact CZ3-CE1 3.58Å; W90-Y202 HydrophobicContact CZ3-CE1 3.58Å; S101-Y202 WeakPolarHBondContact O-CE1 3.36Å; V102-Y202 HydrophobicContact CB-CE1 4.32Å; V102-Y202 HydrophobicContact CG2-CE1 3.84Å; S105-Y202 VanDerWaalsContact CB-CZ 3.45Å; S105-Y202 VanDerWaalsContact OG-CE2 3.28Å; S105-Y202 WeakPolarHBondContact OG-CE2 3.05Å; R106-Y202 PolarHBondContact NH1-OH 3.29Å; T199-Y202 WeakPolarHBondContact O-CD2 3.45Å; T199-Y202 PolarHBondContact O-N 3.23Å; S200-Y202 VanDerWaalsContact C-N 3.33Å; S200-Y202 PolarHBondContact O-N 2.93Å; Y202-R205 CarbonylContact O-C 3.59Å; Y202-R205 PolarHBondContact O-N 3.25Å; Y202-C206 VanDerWaalsContact O-CB 3.28Å; Y202-C206 WeakPolarHBondContact O-CB 3.14Å; Y202-C206 PolarHBondContact O-N 2.96Å; Y202-W218 HydrophobicContact CD1-CE3 4.48Å; Y202-W218 HydrophobicContact CD1-CZ3 4.43Å; Y202-W218 AromaticContact CD2-CE3 3.95Å; Y202-W218 HydrophobicContact CD2-CE3 3.95Å; Y202-W218 AromaticContact CD2-CH2 3.23Å; Y202-W218 HydrophobicContact CD2-CH2 3.23Å; Y202-W218 HydrophobicContact CD2-CZ2 4.09Å; Y202-W218 AromaticContact CD2-CZ3 3.16Å; Y202-W218 HydrophobicContact CD2-CZ3 3.16Å; Y202-W218 HydrophobicContact CE2-CH2 4.24Å; Y202-W218 AromaticContact CE2-CZ3 3.93Å; Y202-W218 HydrophobicContact CE2-CZ3 3.93Å; Y202-W218 HydrophobicContact CG-CD2 4.25Å; Y202-W218 AromaticContact CG-CE3 3.73Å; Y202-W218 HydrophobicContact CG-CE3 3.73Å; Y202-W218 AromaticContact CG-CH2 3.65Å; Y202-W218 HydrophobicContact CG-CH2 3.65Å; Y202-W218 HydrophobicContact CG-CZ2 4.15Å; Y202-W218 AromaticContact CG-CZ3 3.44Å; Y202-W218 HydrophobicContact CG-CZ3 3.44Å; Y202-W218 VanDerWaalsContact CG-CZ3 3.44Å |
| 203 | S | 86.8 | Confident | 87.1 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.8 | -39 | 175.6 | -71.6 | 0 | 0 | 0 | 0 | 112.6 | D154 S200 V201 R205 C206 W218 | D154-S203 WeakPolarHBondContact OD2-CB 3.33Å; D154-S203 PolarHBondContact OD2-OG 3.46Å; S200-S203 PolarHBondContact O-N 3.09Å; V201-S203 VanDerWaalsContact C-N 3.33Å; V201-S203 PolarHBondContact O-N 3.26Å; S203-R205 VanDerWaalsContact C-N 3.26Å; S203-R205 PolarHBondContact O-N 3Å; S203-C206 PolarHBondContact O-SG 3.49Å; S203-W218 VanDerWaalsContact CA-NE1 3.32Å; S203-W218 VanDerWaalsContact OG-CE2 3.23Å; S203-W218 WeakPolarHBondContact OG-CZ2 3.39Å; S203-W218 PolarHBondContact OG-NE1 3.21Å |
| 204 | S | 84.6 | Confident | 87.2 | Confident | 43 Ų | 43 | 29.1 Ų | 29.1 | 30% | 0.301 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -64.6 | -33.5 | 173.9 | 75.4 | 0 | 0 | 0 | 0 | 112.1 | S200 V201 | S200-S204 PolarHBondContact O-N 3.21Å; V201-S204 PolarHBondContact O-N 3.3Å; V201-S204 PolarHBondContact O-OG 3.25Å |
| 205 | R | 85.6 | Confident | 87.1 | Confident | 21 Ų | 21 | 30 Ų | 30 | 8% | 0.079 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -94.4 | -17.6 | -175.6 | -70.1 | -173.5 | -172.8 | 176.2 | 17.6 | 115.2 | S100 S101 T104 F133 V201 Y202 S203 L207 Y208 Y209 | S100-R205 PolarHBondContact O-NH1 3.46Å; S100-R205 VanDerWaalsContact O-NH1 3.16Å; S101-R205 WeakPolarHBondContact OG-CD 3.48Å; T104-R205 PolarHBondContact OG1-NH1 2.67Å; T104-R205 PolarHBondContact OG1-NH2 3.38Å; F133-R205 VanDerWaalsContact CZ-CZ 3.44Å; V201-R205 WeakPolarHBondContact O-CB 3.32Å; V201-R205 WeakPolarHBondContact O-CG 3.42Å; V201-R205 PolarHBondContact O-N 3.48Å; Y202-R205 CarbonylContact O-C 3.59Å; Y202-R205 PolarHBondContact O-N 3.25Å; S203-R205 VanDerWaalsContact C-N 3.26Å; S203-R205 PolarHBondContact O-N 3Å; R205-L207 PolarHBondContact O-N 3.47Å; R205-Y208 WeakPolarHBondContact O-CB 3.48Å; R205-Y208 PolarHBondContact O-N 3.46Å; R205-Y209 HydrophobicContact CB-CE1 4.19Å |
| 206 | C | 85.7 | Confident | 87.1 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -18.9 | -177.1 | 75 | 0 | 0 | 0 | 0 | 113.1 | S151 Y202 S203 Y208 Y209 R215 W218 | S151-C206 VanDerWaalsContact CB-SG 3.52Å; S151-C206 PolarHBondContact OG-SG 3.49Å; Y202-C206 VanDerWaalsContact O-CB 3.28Å; Y202-C206 WeakPolarHBondContact O-CB 3.14Å; Y202-C206 PolarHBondContact O-N 2.96Å; S203-C206 PolarHBondContact O-SG 3.49Å; C206-Y208 PolarHBondContact O-N 3.04Å; C206-Y209 HydrophobicContact CB-CD2 4.13Å; C206-Y209 HydrophobicContact CB-CE2 3.96Å; C206-R215 WeakPolarHBondContact O-CD 3.22Å; C206-R215 VanDerWaalsContact O-CG 3.29Å; C206-R215 WeakPolarHBondContact O-CG 3.39Å; C206-W218 HydrophobicContact CB-CG 4.34Å |
| 207 | L | 82.4 | Confident | 87.2 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -16.8 | 176 | -54.7 | -173.2 | 0 | 0 | 0 | 114 | L140 Y147 N148 Q152 R205 | L140-L207 HydrophobicContact CD1-CB 4.25Å; L140-L207 HydrophobicContact CD1-CD2 3.69Å; L140-L207 PolarHBondContact N-O 2.87Å; Y147-L207 HydrophobicContact CD1-CD2 3.96Å; Y147-L207 HydrophobicContact CE1-CD2 3.89Å; N148-L207 HydrophobicContact CB-CD1 4.43Å; N148-L207 HydrophobicContact CB-CD2 4.38Å; N148-L207 WeakPolarHBondContact OD1-CD2 3.35Å; Q152-L207 HydrophobicContact CG-CD1 4.49Å; R205-L207 PolarHBondContact O-N 3.47Å |
| 208 | Y | 84.7 | Confident | 87.1 | Confident | 82 Ų | 82 | 37.4 Ų | 37.4 | 32% | 0.322 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -10.7 | -173.9 | -60.6 | -83.9 | 0 | 0 | 0 | 113.6 | I135 G136 S137 T138 L139 R205 C206 | I135-Y208 HydrophobicContact CG2-CD1 4.21Å; I135-Y208 HydrophobicContact CG2-CD2 4.1Å; I135-Y208 HydrophobicContact CG2-CE1 4.47Å; I135-Y208 HydrophobicContact CG2-CE2 4.38Å; I135-Y208 HydrophobicContact CG2-CG 4.01Å; I135-Y208 WeakPolarHBondContact O-CB 3.4Å; G136-Y208 CarbonylContact C-O 3.59Å; G136-Y208 WeakPolarHBondContact CA-O 3.42Å; S137-Y208 PolarHBondContact N-O 3.39Å; T138-Y208 PolarHBondContact N-O 3.2Å; T138-Y208 CarbonylContact O-C 3.59Å; T138-Y208 VanDerWaalsContact O-CA 3.25Å; T138-Y208 WeakPolarHBondContact O-CA 3.38Å; L139-Y208 HydrophobicContact CD1-CD1 4.32Å; L139-Y208 HydrophobicContact CD1-CE1 3.7Å; R205-Y208 WeakPolarHBondContact O-CB 3.48Å; R205-Y208 PolarHBondContact O-N 3.46Å; C206-Y208 PolarHBondContact O-N 3.04Å |
| 209 | Y | 86.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -64.2 | 136.3 | 178.8 | -61 | -25.7 | 0 | 0 | 0 | 111 | W90 D95 A97 S101 R205 C206 D214 R215 W218 | W90-Y209 HydrophobicContact CH2-CE2 4.16Å; W90-Y209 WeakPolarHBondContact CH2-OH 3.45Å; W90-Y209 AromaticContact CZ2-CE2 3.66Å; W90-Y209 HydrophobicContact CZ2-CE2 3.66Å; W90-Y209 AromaticContact CZ2-CZ 3.99Å; D95-Y209 VanDerWaalsContact OD2-CA 3.24Å; D95-Y209 WeakPolarHBondContact OD2-CA 3.3Å; A97-Y209 HydrophobicContact CB-CD1 3.94Å; A97-Y209 HydrophobicContact CB-CE1 4.15Å; S101-Y209 VanDerWaalsContact CB-OH 3.24Å; S101-Y209 WeakPolarHBondContact CB-OH 3.38Å; S101-Y209 PolarHBondContact OG-OH 3.26Å; S101-Y209 VanDerWaalsContact OG-OH 3.13Å; R205-Y209 HydrophobicContact CB-CE1 4.19Å; C206-Y209 HydrophobicContact CB-CD2 4.13Å; C206-Y209 HydrophobicContact CB-CE2 3.96Å; Y209-D214 HydrophobicContact CD2-CB 4.1Å; Y209-D214 HydrophobicContact CG-CB 4.25Å; Y209-R215 HydrophobicContact CD2-CG 4.31Å; Y209-R215 PolarHBondContact O-NH1 3.5Å; Y209-W218 HydrophobicContact CE2-CB 4.49Å | ||
| 210 | K | 85.2 | Confident | 86.8 | Confident | 95 Ų | 95 | 44.2 Ų | 44.2 | 41% | 0.413 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -61.2 | -50.2 | -174.6 | -66.5 | 172.2 | -168.7 | 166.1 | 0 | 111.4 | D95 R215 | D95-K210 HydrophobicContact CB-CD 4.2Å; D95-K210 HydrophobicContact CB-CG 4.48Å; D95-K210 WeakPolarHBondContact OD1-CE 3.38Å; D95-K210 IonicContact OD1-NZ 3.57Å; D95-K210 PolarHBondContact OD2-N 3.23Å; K210-R215 PolarHBondContact O-NH1 2.84Å |
| 211 | T | 85.2 | Confident | 86.7 | Confident | 60 Ų | 60 | 44 Ų | 44 | 37% | 0.368 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -98.6 | 151.4 | -170.3 | 84.5 | 0 | 0 | 0 | 0 | 113.2 | T213 D214 R215 | T211-T213 PolarHBondContact O-N 3.04Å; T211-T213 PolarHBondContact OG1-N 3.45Å; T211-D214 WeakPolarHBondContact CB-OD2 3.39Å; T211-D214 WeakPolarHBondContact CG2-OD2 3.39Å; T211-D214 PolarHBondContact OG1-N 3.45Å; T211-D214 PolarHBondContact OG1-OD2 3.29Å; T211-R215 WeakPolarHBondContact O-CG 3.34Å; T211-R215 PolarHBondContact O-N 3.15Å; T211-R215 PolarHBondContact O-NH1 3.32Å |
| 212 | K | 86.4 | Confident | 86.5 | Confident | 135 Ų | 135 | 44.6 Ų | 44.6 | 59% | 0.587 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.1 | -27.4 | 169.9 | -73.3 | 179.8 | -178.7 | 179 | 0 | 112 | R216 | K212-R216 WeakPolarHBondContact O-CG 3.33Å; K212-R216 PolarHBondContact O-N 2.92Å; K212-R216 VanDerWaalsContact O-N 3.07Å |
| 213 | T | 89.8 | Confident | 86.3 | Confident | 93 Ų | 93 | 46.9 Ų | 46.9 | 57% | 0.571 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -67.6 | -48.8 | 179.5 | -55 | 0 | 0 | 0 | 0 | 110.6 | T211 R215 R216 V217 | T211-T213 PolarHBondContact O-N 3.04Å; T211-T213 PolarHBondContact OG1-N 3.45Å; T213-R215 PolarHBondContact O-N 3.08Å; T213-R216 WeakPolarHBondContact O-CB 3.16Å; T213-R216 PolarHBondContact O-N 3.37Å; T213-V217 WeakPolarHBondContact O-CG2 3.43Å; T213-V217 PolarHBondContact O-N 2.68Å |
| 214 | D | 89.6 | Confident | 86.2 | Confident | 8 Ų | 8 | 48.5 Ų | 48.5 | 4% | 0.043 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.2 | -39.5 | 178.7 | -59.4 | -43.6 | 0 | 0 | 0 | 111.9 | W90 S93 Y209 T211 V217 W218 | W90-D214 PolarHBondContact NE1-O 3.36Å; S93-D214 VanDerWaalsContact CB-OD1 3.24Å; S93-D214 WeakPolarHBondContact CB-OD1 3.47Å; S93-D214 PolarHBondContact OG-OD1 3.37Å; S93-D214 PolarHBondContact OG-OD2 3.01Å; Y209-D214 HydrophobicContact CD2-CB 4.1Å; Y209-D214 HydrophobicContact CG-CB 4.25Å; T211-D214 WeakPolarHBondContact CB-OD2 3.39Å; T211-D214 WeakPolarHBondContact CG2-OD2 3.39Å; T211-D214 PolarHBondContact OG1-N 3.45Å; T211-D214 PolarHBondContact OG1-OD2 3.29Å; D214-V217 PolarHBondContact O-N 3.3Å; D214-W218 PolarHBondContact O-N 3.49Å |
| 215 | R | 88.3 | Confident | 85.9 | Confident | 20 Ų | 20 | 46.7 Ų | 46.7 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 173.8 | -69 | -164 | -66 | -91.6 | 12.1 | 112.4 | Y147 C206 Y209 K210 T211 T213 W218 V219 | Y147-R215 WeakPolarHBondContact OH-CB 3.45Å; C206-R215 WeakPolarHBondContact O-CD 3.22Å; C206-R215 VanDerWaalsContact O-CG 3.29Å; C206-R215 WeakPolarHBondContact O-CG 3.39Å; Y209-R215 HydrophobicContact CD2-CG 4.31Å; Y209-R215 PolarHBondContact O-NH1 3.5Å; K210-R215 PolarHBondContact O-NH1 2.84Å; T211-R215 WeakPolarHBondContact O-CG 3.34Å; T211-R215 PolarHBondContact O-N 3.15Å; T211-R215 PolarHBondContact O-NH1 3.32Å; T213-R215 PolarHBondContact O-N 3.08Å; R215-W218 PolarHBondContact O-N 3.28Å; R215-V219 WeakPolarHBondContact O-CG2 3.24Å; R215-V219 PolarHBondContact O-N 3.45Å; R215-V219 VanDerWaalsContact O-N 3.15Å |
| 216 | R | 87.9 | Confident | 85.6 | Confident | 176 Ų | 176 | 48.1 Ų | 48.1 | 66% | 0.664 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -66.2 | -41.2 | 177 | -75.4 | 175.4 | -179.8 | -179.8 | -0.7 | 112.4 | K212 T213 W218 V219 C220 | K212-R216 WeakPolarHBondContact O-CG 3.33Å; K212-R216 PolarHBondContact O-N 2.92Å; K212-R216 VanDerWaalsContact O-N 3.07Å; T213-R216 WeakPolarHBondContact O-CB 3.16Å; T213-R216 PolarHBondContact O-N 3.37Å; R216-W218 PolarHBondContact O-N 3.19Å; R216-V219 PolarHBondContact O-N 2.86Å; R216-C220 WeakPolarHBondContact O-CB 3.23Å; R216-C220 PolarHBondContact O-N 3.34Å; R216-C220 PolarHBondContact O-SG 3.29Å |
| 217 | V | 90.5 | Very high | 85.2 | Confident | 16 Ų | 16 | 51.8 Ų | 51.8 | 10% | 0.097 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -53.1 | -46.8 | 176 | 166.8 | 0 | 0 | 0 | 0 | 110.1 | V86 M89 W90 T213 D214 C220 G221 | V86-V217 HydrophobicContact CG1-CG1 4.45Å; M89-V217 HydrophobicContact CB-CB 4.42Å; M89-V217 HydrophobicContact CB-CG1 3.53Å; M89-V217 HydrophobicContact CB-CG2 3.96Å; M89-V217 HydrophobicContact CE-CG1 3.87Å; M89-V217 HydrophobicContact CG-CG1 4.42Å; M89-V217 HydrophobicContact SD-CG1 4.11Å; M89-V217 HydrophobicContact SD-CG2 4.22Å; W90-V217 HydrophobicContact CD2-CG1 4.35Å; W90-V217 HydrophobicContact CG-CG1 4.24Å; T213-V217 WeakPolarHBondContact O-CG2 3.43Å; T213-V217 PolarHBondContact O-N 2.68Å; D214-V217 PolarHBondContact O-N 3.3Å; V217-C220 PolarHBondContact O-N 3.25Å; V217-G221 PolarHBondContact O-N 2.57Å |
| 218 | W | 87 | Confident | 84.6 | Confident | 8 Ų | 8 | 54.3 Ų | 54.3 | 3% | 0.03 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.5 | -50.5 | 176.5 | 172.9 | -120.1 | 0 | 0 | 0 | 113.2 | V86 W90 T199 Y202 S203 C206 Y209 D214 R215 R216 C220 G221 R222 | V86-W218 HydrophobicContact CG1-CE3 4.5Å; V86-W218 HydrophobicContact CG2-CE3 4.35Å; W90-W218 HydrophobicContact CZ2-CB 4.08Å; T199-W218 VanDerWaalsContact O-CH2 3.3Å; T199-W218 WeakPolarHBondContact O-CH2 3.47Å; T199-W218 WeakPolarHBondContact O-CZ2 3.36Å; Y202-W218 HydrophobicContact CD1-CE3 4.48Å; Y202-W218 HydrophobicContact CD1-CZ3 4.43Å; Y202-W218 AromaticContact CD2-CE3 3.95Å; Y202-W218 HydrophobicContact CD2-CE3 3.95Å; Y202-W218 AromaticContact CD2-CH2 3.23Å; Y202-W218 HydrophobicContact CD2-CH2 3.23Å; Y202-W218 HydrophobicContact CD2-CZ2 4.09Å; Y202-W218 AromaticContact CD2-CZ3 3.16Å; Y202-W218 HydrophobicContact CD2-CZ3 3.16Å; Y202-W218 HydrophobicContact CE2-CH2 4.24Å; Y202-W218 AromaticContact CE2-CZ3 3.93Å; Y202-W218 HydrophobicContact CE2-CZ3 3.93Å; Y202-W218 HydrophobicContact CG-CD2 4.25Å; Y202-W218 AromaticContact CG-CE3 3.73Å; Y202-W218 HydrophobicContact CG-CE3 3.73Å; Y202-W218 AromaticContact CG-CH2 3.65Å; Y202-W218 HydrophobicContact CG-CH2 3.65Å; Y202-W218 HydrophobicContact CG-CZ2 4.15Å; Y202-W218 AromaticContact CG-CZ3 3.44Å; Y202-W218 HydrophobicContact CG-CZ3 3.44Å; Y202-W218 VanDerWaalsContact CG-CZ3 3.44Å; S203-W218 VanDerWaalsContact CA-NE1 3.32Å; S203-W218 VanDerWaalsContact OG-CE2 3.23Å; S203-W218 WeakPolarHBondContact OG-CZ2 3.39Å; S203-W218 PolarHBondContact OG-NE1 3.21Å; C206-W218 HydrophobicContact CB-CG 4.34Å; Y209-W218 HydrophobicContact CE2-CB 4.49Å; D214-W218 PolarHBondContact O-N 3.49Å; R215-W218 PolarHBondContact O-N 3.28Å; R216-W218 PolarHBondContact O-N 3.19Å; W218-C220 VanDerWaalsContact C-N 3.26Å; W218-C220 PolarHBondContact O-N 2.88Å; W218-G221 WeakPolarHBondContact O-CA 3.29Å; W218-G221 PolarHBondContact O-N 2.87Å; W218-R222 HydrophobicContact CD2-CG 3.86Å; W218-R222 HydrophobicContact CE3-CG 4.12Å; W218-R222 HydrophobicContact CH2-CG 3.27Å; W218-R222 HydrophobicContact CZ2-CB 4.42Å; W218-R222 HydrophobicContact CZ2-CG 2.94Å; W218-R222 HydrophobicContact CZ3-CG 3.84Å; W218-R222 PolarHBondContact O-N 2.8Å |
| 219 | V | 86.1 | Confident | 84 | Confident | 67 Ų | 67 | 52.9 Ų | 52.9 | 41% | 0.406 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.4 | -42.2 | 179.8 | 172.7 | 0 | 0 | 0 | 0 | 111 | Y147 R215 R216 R222 A223 | Y147-V219 HydrophobicContact CE2-CG2 4.16Å; R215-V219 WeakPolarHBondContact O-CG2 3.24Å; R215-V219 PolarHBondContact O-N 3.45Å; R215-V219 VanDerWaalsContact O-N 3.15Å; R216-V219 PolarHBondContact O-N 2.86Å; V219-R222 PolarHBondContact O-N 2.79Å; V219-A223 WeakPolarHBondContact O-CB 3.24Å; V219-A223 PolarHBondContact O-N 2.73Å |
| 220 | C | 87.1 | Confident | 83.3 | Confident | 78 Ų | 78 | 54.9 Ų | 54.9 | 53% | 0.527 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 174.8 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | R216 V217 W218 R222 A223 A224 | R216-C220 WeakPolarHBondContact O-CB 3.23Å; R216-C220 PolarHBondContact O-N 3.34Å; R216-C220 PolarHBondContact O-SG 3.29Å; V217-C220 PolarHBondContact O-N 3.25Å; W218-C220 VanDerWaalsContact C-N 3.26Å; W218-C220 PolarHBondContact O-N 2.88Å; C220-R222 VanDerWaalsContact C-N 3.33Å; C220-R222 PolarHBondContact O-N 3.3Å; C220-A223 PolarHBondContact O-N 2.64Å; C220-A224 PolarHBondContact O-N 3.43Å |
| 221 | G | 85.4 | Confident | 82.5 | Confident | 3 Ų | 3 | 56.9 Ų | 56.9 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V217 W218 A224 V225 | V217-G221 PolarHBondContact O-N 2.57Å; W218-G221 WeakPolarHBondContact O-CA 3.29Å; W218-G221 PolarHBondContact O-N 2.87Å; G221-A224 WeakPolarHBondContact O-CB 3.39Å; G221-A224 PolarHBondContact O-N 3.29Å; G221-V225 WeakPolarHBondContact O-CG2 3.41Å; G221-V225 PolarHBondContact O-N 3.43Å |
| 222 | R | 83.9 | Confident | 81.5 | Confident | 19 Ų | 19 | 55 Ų | 55 | 7% | 0.072 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.9 | -39.8 | 176.4 | -79.4 | -66 | -71 | 170.9 | 5.2 | 114.1 | D154 T199 W218 V219 C220 A224 V225 S226 | D154-R222 IonicContact OD1-CZ 3.36Å; D154-R222 IonicContact OD1-NE 3.1Å; D154-R222 PolarHBondContact OD1-NE 2.83Å; D154-R222 VanDerWaalsContact OD1-NE 3.1Å; D154-R222 IonicContact OD1-NH2 2.74Å; D154-R222 PolarHBondContact OD1-NH2 2.69Å; D154-R222 IonicContact OD2-CZ 3.54Å; D154-R222 IonicContact OD2-NE 2.88Å; D154-R222 PolarHBondContact OD2-NE 3.32Å; D154-R222 IonicContact OD2-NH2 3.52Å; T199-R222 PolarHBondContact OG1-NH1 3.4Å; W218-R222 HydrophobicContact CD2-CG 3.86Å; W218-R222 HydrophobicContact CE3-CG 4.12Å; W218-R222 HydrophobicContact CH2-CG 3.27Å; W218-R222 HydrophobicContact CZ2-CB 4.42Å; W218-R222 HydrophobicContact CZ2-CG 2.94Å; W218-R222 HydrophobicContact CZ3-CG 3.84Å; W218-R222 PolarHBondContact O-N 2.8Å; V219-R222 PolarHBondContact O-N 2.79Å; C220-R222 VanDerWaalsContact C-N 3.33Å; C220-R222 PolarHBondContact O-N 3.3Å; R222-A224 PolarHBondContact O-N 2.79Å; R222-V225 PolarHBondContact O-N 3.43Å; R222-S226 WeakPolarHBondContact O-CB 3.19Å; R222-S226 PolarHBondContact O-N 3.02Å; R222-S226 PolarHBondContact O-OG 3.01Å |
| 223 | A | 84.2 | Confident | 80.5 | Confident | 50 Ų | 50 | 50.3 Ų | 50.3 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V219 C220 S227 | V219-A223 WeakPolarHBondContact O-CB 3.24Å; V219-A223 PolarHBondContact O-N 2.73Å; C220-A223 PolarHBondContact O-N 2.64Å; A223-S227 WeakPolarHBondContact O-CB 3.29Å; A223-S227 PolarHBondContact O-N 2.82Å; A223-S227 PolarHBondContact O-OG 3.02Å |
| 224 | A | 83.3 | Confident | 79.2 | Confident | 35 Ų | 35 | 54.6 Ų | 54.6 | 29% | 0.289 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.4 | -51.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | C220 G221 R222 S226 S227 L228 | C220-A224 PolarHBondContact O-N 3.43Å; G221-A224 WeakPolarHBondContact O-CB 3.39Å; G221-A224 PolarHBondContact O-N 3.29Å; R222-A224 PolarHBondContact O-N 2.79Å; A224-S226 VanDerWaalsContact C-N 3.31Å; A224-S226 PolarHBondContact O-N 3.45Å; A224-S227 PolarHBondContact O-N 3.42Å; A224-L228 HydrophobicContact CB-CD1 4.45Å; A224-L228 VanDerWaalsContact O-CB 3.25Å; A224-L228 WeakPolarHBondContact O-CB 3.21Å; A224-L228 WeakPolarHBondContact O-CD1 3.42Å; A224-L228 WeakPolarHBondContact O-CG 3.11Å; A224-L228 PolarHBondContact O-N 3.41Å |
| 225 | V | 80.2 | Confident | 77.7 | Confident | 5 Ų | 5 | 55.2 Ų | 55.2 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.5 | -47.9 | 176.5 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | V79 S82 L196 G221 R222 Y229 | V79-V225 HydrophobicContact CG2-CG1 4.36Å; S82-V225 PolarHBondContact OG-N 3.19Å; L196-V225 HydrophobicContact CD1-CG1 4.31Å; G221-V225 WeakPolarHBondContact O-CG2 3.41Å; G221-V225 PolarHBondContact O-N 3.43Å; R222-V225 PolarHBondContact O-N 3.43Å; V225-Y229 VanDerWaalsContact O-CB 3.24Å; V225-Y229 WeakPolarHBondContact O-CB 3.22Å; V225-Y229 PolarHBondContact O-N 3.14Å |
| 226 | S | 79.4 | Confident | 75.9 | Confident | 51 Ų | 51 | 64.4 Ų | 64.4 | 36% | 0.357 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.5 | -40.6 | -176.2 | -53.9 | 0 | 0 | 0 | 0 | 112.2 | R222 A224 Y229 A230 | R222-S226 WeakPolarHBondContact O-CB 3.19Å; R222-S226 PolarHBondContact O-N 3.02Å; R222-S226 PolarHBondContact O-OG 3.01Å; A224-S226 VanDerWaalsContact C-N 3.31Å; A224-S226 PolarHBondContact O-N 3.45Å; S226-Y229 PolarHBondContact O-N 2.94Å; S226-A230 VanDerWaalsContact O-CB 3.31Å; S226-A230 WeakPolarHBondContact O-CB 3.45Å; S226-A230 PolarHBondContact O-N 3.39Å |
| 227 | S | 76 | Confident | 74 | Confident | 76 Ų | 76 | 62.1 Ų | 62.1 | 53% | 0.531 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68.2 | -40.5 | 177.9 | -58.1 | 0 | 0 | 0 | 0 | 111.3 | A223 A224 A230 H231 | A223-S227 WeakPolarHBondContact O-CB 3.29Å; A223-S227 PolarHBondContact O-N 2.82Å; A223-S227 PolarHBondContact O-OG 3.02Å; A224-S227 PolarHBondContact O-N 3.42Å; S227-A230 PolarHBondContact O-N 3.26Å; S227-H231 VanDerWaalsContact O-CB 3.24Å; S227-H231 WeakPolarHBondContact O-CB 3.38Å; S227-H231 PolarHBondContact O-N 3.26Å |
| 228 | L | 71.1 | Confident | 71.7 | Confident | 64 Ų | 64 | 64.5 Ų | 64.5 | 34% | 0.335 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.3 | -39.4 | 177.5 | -69.6 | 163.2 | 0 | 0 | 0 | 111.2 | A78 S82 A224 H231 A232 | A78-L228 HydrophobicContact CB-CB 3.7Å; A78-L228 HydrophobicContact CB-CD1 3.84Å; A78-L228 HydrophobicContact CB-CD2 4.16Å; A78-L228 HydrophobicContact CB-CG 4.08Å; S82-L228 WeakPolarHBondContact OG-CD1 3.49Å; A224-L228 HydrophobicContact CB-CD1 4.45Å; A224-L228 VanDerWaalsContact O-CB 3.25Å; A224-L228 WeakPolarHBondContact O-CB 3.21Å; A224-L228 WeakPolarHBondContact O-CD1 3.42Å; A224-L228 WeakPolarHBondContact O-CG 3.11Å; A224-L228 PolarHBondContact O-N 3.41Å; L228-H231 PolarHBondContact O-N 2.7Å; L228-A232 VanDerWaalsContact O-CB 3.26Å; L228-A232 WeakPolarHBondContact O-CB 3.47Å; L228-A232 PolarHBondContact O-N 2.76Å |
| 229 | Y | 70.6 | Confident | 69.6 | Low | 52 Ų | 52 | 68.2 Ų | 68.2 | 20% | 0.204 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.5 | -50.8 | 170.9 | 178.1 | -101.5 | 0 | 0 | 0 | 111.3 | W165 F192 V225 S226 H231 A232 F233 | W165-Y229 AromaticContact NE1-CZ 3.96Å; W165-Y229 PolarHBondContact NE1-OH 3.05Å; F192-Y229 HydrophobicContact CE1-CD2 4.03Å; F192-Y229 AromaticContact CE1-CE2 3.59Å; F192-Y229 HydrophobicContact CE1-CE2 3.59Å; F192-Y229 AromaticContact CE2-CD2 4Å; F192-Y229 HydrophobicContact CE2-CD2 4Å; F192-Y229 HydrophobicContact CE2-CE2 4.35Å; F192-Y229 AromaticContact CZ-CD2 3.27Å; F192-Y229 HydrophobicContact CZ-CD2 3.27Å; F192-Y229 AromaticContact CZ-CE2 3.34Å; F192-Y229 HydrophobicContact CZ-CE2 3.34Å; F192-Y229 HydrophobicContact CZ-CG 4.43Å; V225-Y229 VanDerWaalsContact O-CB 3.24Å; V225-Y229 WeakPolarHBondContact O-CB 3.22Å; V225-Y229 PolarHBondContact O-N 3.14Å; S226-Y229 PolarHBondContact O-N 2.94Å; Y229-H231 VanDerWaalsContact C-N 3.34Å; Y229-H231 PolarHBondContact O-N 3.1Å; Y229-A232 PolarHBondContact O-N 3.24Å; Y229-F233 HydrophobicContact CD1-CD2 4.43Å; Y229-F233 AromaticContact CD2-CD2 3.3Å; Y229-F233 HydrophobicContact CD2-CD2 3.3Å; Y229-F233 AromaticContact CD2-CE2 3.42Å; Y229-F233 HydrophobicContact CD2-CE2 3.42Å; Y229-F233 VanDerWaalsContact CD2-CE2 3.42Å; Y229-F233 HydrophobicContact CD2-CG 4.45Å; Y229-F233 HydrophobicContact CE1-CD2 4.23Å; Y229-F233 AromaticContact CE2-CD2 3.08Å; Y229-F233 HydrophobicContact CE2-CD2 3.08Å; Y229-F233 AromaticContact CE2-CE2 3.03Å; Y229-F233 HydrophobicContact CE2-CE2 3.03Å; Y229-F233 AromaticContact CE2-CG 4Å; Y229-F233 HydrophobicContact CE2-CG 4Å; Y229-F233 AromaticContact CE2-CZ 3.93Å; Y229-F233 HydrophobicContact CE2-CZ 3.93Å; Y229-F233 HydrophobicContact CG-CD2 4.01Å; Y229-F233 AromaticContact CZ-CD2 3.56Å; Y229-F233 AromaticContact CZ-CE2 3.86Å; Y229-F233 WeakPolarHBondContact O-CB 3.44Å; Y229-F233 WeakPolarHBondContact O-CD2 3.21Å; Y229-F233 PolarHBondContact O-N 2.87Å |
| 230 | A | 72.1 | Confident | 67.3 | Low | 42 Ų | 42 | 71.6 Ų | 71.6 | 35% | 0.347 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.7 | -43.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S226 S227 Y234 | S226-A230 VanDerWaalsContact O-CB 3.31Å; S226-A230 WeakPolarHBondContact O-CB 3.45Å; S226-A230 PolarHBondContact O-N 3.39Å; S227-A230 PolarHBondContact O-N 3.26Å; A230-Y234 HydrophobicContact CB-CD2 4.44Å; A230-Y234 WeakPolarHBondContact O-CA 3.33Å; A230-Y234 VanDerWaalsContact O-CB 3.28Å; A230-Y234 WeakPolarHBondContact O-CB 3.34Å; A230-Y234 PolarHBondContact O-N 2.89Å |
| 231 | H | 69.3 | Low | 65 | Low | 137 Ų | 137 | 76.3 Ų | 76.3 | 63% | 0.634 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -64.5 | -40.9 | 177.5 | -177 | -90.1 | 0 | 0 | 0 | 111.9 | S227 L228 Y229 G235 | S227-H231 VanDerWaalsContact O-CB 3.24Å; S227-H231 WeakPolarHBondContact O-CB 3.38Å; S227-H231 PolarHBondContact O-N 3.26Å; L228-H231 PolarHBondContact O-N 2.7Å; Y229-H231 VanDerWaalsContact C-N 3.34Å; Y229-H231 PolarHBondContact O-N 3.1Å; H231-G235 WeakPolarHBondContact O-CA 3.28Å; H231-G235 PolarHBondContact O-N 3.1Å |
| 232 | A | 63.2 | Low | 63.1 | Low | 19 Ų | 19 | 80.9 Ų | 80.9 | 16% | 0.157 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -69.9 | -49.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | H71 C75 L228 Y229 | H71-A232 PolarHBondContact CE1-O 3.46Å; H71-A232 PolarHBondContact NE2-O 3.44Å; C75-A232 HydrophobicContact CB-CB 4.29Å; C75-A232 WeakPolarHBondContact SG-CB 3.31Å; L228-A232 VanDerWaalsContact O-CB 3.26Å; L228-A232 WeakPolarHBondContact O-CB 3.47Å; L228-A232 PolarHBondContact O-N 2.76Å; Y229-A232 PolarHBondContact O-N 3.24Å |
| 233 | F | 64.9 | Low | 60.9 | Low | 37 Ų | 37 | 86.1 Ų | 86.1 | 16% | 0.162 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -76 | -36.2 | -176 | -83.2 | -79.6 | 0 | 0 | 0 | 114.9 | C75 W165 Q176 Y229 | C75-F233 HydrophobicContact CB-CE2 4.47Å; W165-F233 HydrophobicContact CH2-CD1 4.39Å; W165-F233 AromaticContact CH2-CE1 3.25Å; W165-F233 HydrophobicContact CH2-CE1 3.25Å; W165-F233 HydrophobicContact CH2-CE2 4.48Å; W165-F233 AromaticContact CH2-CZ 3.29Å; W165-F233 HydrophobicContact CH2-CZ 3.29Å; W165-F233 HydrophobicContact CZ2-CD1 4.17Å; W165-F233 AromaticContact CZ2-CE1 3.32Å; W165-F233 HydrophobicContact CZ2-CE1 3.32Å; W165-F233 HydrophobicContact CZ2-CE2 4.13Å; W165-F233 AromaticContact CZ2-CZ 3.27Å; W165-F233 HydrophobicContact CZ2-CZ 3.27Å; W165-F233 HydrophobicContact CZ3-CE1 4.41Å; W165-F233 HydrophobicContact CZ3-CZ 4.18Å; Q176-F233 VanDerWaalsContact NE2-CD1 3.29Å; Y229-F233 HydrophobicContact CD1-CD2 4.43Å; Y229-F233 AromaticContact CD2-CD2 3.3Å; Y229-F233 HydrophobicContact CD2-CD2 3.3Å; Y229-F233 AromaticContact CD2-CE2 3.42Å; Y229-F233 HydrophobicContact CD2-CE2 3.42Å; Y229-F233 VanDerWaalsContact CD2-CE2 3.42Å; Y229-F233 HydrophobicContact CD2-CG 4.45Å; Y229-F233 HydrophobicContact CE1-CD2 4.23Å; Y229-F233 AromaticContact CE2-CD2 3.08Å; Y229-F233 HydrophobicContact CE2-CD2 3.08Å; Y229-F233 AromaticContact CE2-CE2 3.03Å; Y229-F233 HydrophobicContact CE2-CE2 3.03Å; Y229-F233 AromaticContact CE2-CG 4Å; Y229-F233 HydrophobicContact CE2-CG 4Å; Y229-F233 AromaticContact CE2-CZ 3.93Å; Y229-F233 HydrophobicContact CE2-CZ 3.93Å; Y229-F233 HydrophobicContact CG-CD2 4.01Å; Y229-F233 AromaticContact CZ-CD2 3.56Å; Y229-F233 AromaticContact CZ-CE2 3.86Å; Y229-F233 WeakPolarHBondContact O-CB 3.44Å; Y229-F233 WeakPolarHBondContact O-CD2 3.21Å; Y229-F233 PolarHBondContact O-N 2.87Å |
| 234 | Y | 64 | Low | 58.7 | Low | 183 Ų | 183 | 93.2 Ų | 93.2 | 72% | 0.718 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -104 | -3.2 | -177.1 | -61.8 | -75.8 | 0 | 0 | 0 | 113.8 | A230 R236 | A230-Y234 HydrophobicContact CB-CD2 4.44Å; A230-Y234 WeakPolarHBondContact O-CA 3.33Å; A230-Y234 VanDerWaalsContact O-CB 3.28Å; A230-Y234 WeakPolarHBondContact O-CB 3.34Å; A230-Y234 PolarHBondContact O-N 2.89Å; Y234-R236 PolarHBondContact O-N 2.9Å |
| 235 | G | 57.5 | Low | 56.4 | Low | 21 Ų | 21 | 101.5 Ų | 101.5 | 22% | 0.216 | 50% | 0.498 | C | S | . | . | trans | -65.3 | 75.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H231 D237 S238 | H231-G235 WeakPolarHBondContact O-CA 3.28Å; H231-G235 PolarHBondContact O-N 3.1Å; G235-D237 PolarHBondContact O-N 3.45Å; G235-S238 PolarHBondContact O-N 3.4Å | ||
| 236 | R | 49.6 | Very low | 54.6 | Low | 213 Ų | 213 | 106 Ų | 106 | 80% | 0.804 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -49.6 | -23 | -175.2 | -117.2 | 179 | -139.2 | -169.9 | 4 | 114.8 | Y234 | Y234-R236 PolarHBondContact O-N 2.9Å |
| 237 | D | 47.8 | Very low | 52.7 | Low | 129 Ų | 129 | 111.3 Ų | 111.3 | 69% | 0.69 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -88.1 | -13.2 | -173.3 | -64.8 | -30.4 | 0 | 0 | 0 | 114.3 | G235 | G235-D237 PolarHBondContact O-N 3.45Å |
| 238 | S | 43.2 | Very low | 51 | Low | 65 Ų | 65 | 120.6 Ų | 120.6 | 46% | 0.455 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -86.4 | -30.6 | 179.2 | -49.1 | 0 | 0 | 0 | 0 | 112.5 | G235 | G235-S238 PolarHBondContact O-N 3.4Å |
| 239 | F | 43 | Very low | 50 | Low | 87 Ų | 87 | 123.4 Ų | 123.4 | 38% | 0.382 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -80.1 | -21.8 | -172.1 | -136 | -96.7 | 0 | 0 | 0 | 113.6 | V68 V177 | V68-F239 HydrophobicContact CG2-CE2 4.32Å; V68-F239 HydrophobicContact CG2-CZ 3.77Å; V177-F239 HydrophobicContact CG1-CE1 4Å; V177-F239 HydrophobicContact CG1-CZ 3.54Å |
| 240 | L | 38.5 | Very low | 48.9 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 72% | 0.723 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -16.9 | 179.9 | -75.6 | 164.6 | 0 | 0 | 0 | 113.9 | ||
| 241 | K | 37.1 | Very low | 47.7 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 77% | 0.765 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -18.2 | -178.9 | -74.5 | -175.9 | 179.6 | 175.4 | 0 | 115 | K243 | K241-K243 VanDerWaalsContact C-N 3.28Å; K241-K243 PolarHBondContact O-N 3.22Å |
| 242 | V | 45.6 | Very low | 46.4 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 60% | 0.6 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -8.2 | 177.6 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 243 | K | 37.7 | Very low | 45.3 | Very low | 130 Ų | 130 | 138.6 Ų | 138.6 | 57% | 0.565 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 12.5 | -171.6 | -115.3 | -173.7 | -178 | -171.7 | 0 | 118.1 | K241 | K241-K243 VanDerWaalsContact C-N 3.28Å; K241-K243 PolarHBondContact O-N 3.22Å |
| 244 | F | 38.5 | Very low | 44 | Very low | 199 Ų | 199 | 145.4 Ų | 145.4 | 87% | 0.873 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -141.4 | 20.2 | -178.9 | -88.6 | -77 | 0 | 0 | 0 | 117 | ||
| 245 | K | 36.4 | Very low | 42.6 | Very low | 208 Ų | 208 | 142.7 Ų | 142.7 | 90% | 0.904 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -123 | 14.8 | -179.1 | -124.8 | -177.5 | -176.7 | -174.7 | 0 | 117.2 | ||
| 246 | A | 40.7 | Very low | 41.5 | Very low | 100 Ų | 100 | 152.1 Ų | 152.1 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -134.5 | 21.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 247 | I | 40.5 | Very low | 40.8 | Very low | 163 Ų | 163 | 147 Ų | 147 | 84% | 0.836 | 74% | 0.739 | S | S | * | * | trans | -126.7 | 82 | 170.6 | -54.1 | 176.1 | 0 | 0 | 0 | 107.6 | ||||
| 248 | H | 40.5 | Very low | 40.1 | Very low | 270 Ų | 270 | 148.6 Ų | 148.6 | 100% | 1.25 | 74% | 0.744 | S | S | * | * | trans | -156.4 | 0 | 153 | -97.4 | -56.7 | 0 | 0 | 0 | 107.8 |
Retrieved 248 of 248 residues in 135.6 ms
(Link to these results)