| 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 | 34.1 | Very low | 34.2 | Very low | 253 Ų | 253 | 142.6 Ų | 142.6 | 100% | 1.246 | 78% | 0.784 | S | S | * | * | 0 | 119.6 | 0 | -63.5 | 173.4 | -168.8 | 0 | 0 | 106.5 | |||||
| 2 | A | 33.3 | Very low | 34.8 | Very low | 80 Ų | 80 | 142.7 Ų | 142.7 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | cis | -145.2 | 134.9 | 6.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y4 | A2-Y4 HydrophobicContact CB-CD2 4.32Å; A2-Y4 HydrophobicContact CB-CE2 4.31Å; A2-Y4 PolarHBondContact O-N 3.09Å | ||
| 3 | N | 31.8 | Very low | 35.4 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 93% | 0.93 | 79% | 0.785 | S | S | * | * | trans | -71.3 | 114.4 | 163.4 | -92.8 | -17.8 | 0 | 0 | 0 | 107.8 | ||||
| 4 | Y | 32.4 | Very low | 36 | Very low | 212 Ų | 212 | 146 Ų | 146 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -98.5 | 111.4 | 162.6 | -92.9 | -88.2 | 0 | 0 | 0 | 109 | A2 H6 | A2-Y4 HydrophobicContact CB-CD2 4.32Å; A2-Y4 HydrophobicContact CB-CE2 4.31Å; A2-Y4 PolarHBondContact O-N 3.09Å; Y4-H6 PolarHBondContact O-N 2.88Å | ||
| 5 | S | 34.3 | Very low | 36.5 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -44.7 | 112.1 | 176.6 | 45.1 | 0 | 0 | 0 | 0 | 114.2 | A7 | S5-A7 VanDerWaalsContact C-N 3.33Å; S5-A7 PolarHBondContact O-N 2.68Å | ||
| 6 | H | 38.6 | Very low | 37.8 | Very low | 186 Ų | 186 | 143.1 Ų | 143.1 | 86% | 0.861 | 77% | 0.774 | S | S | * | * | trans | -94.8 | 33 | 174.1 | -138.3 | -66.6 | 0 | 0 | 0 | 112.7 | Y4 | Y4-H6 PolarHBondContact O-N 2.88Š| ||
| 7 | A | 33.7 | Very low | 39.8 | Very low | 83 Ų | 83 | 137.8 Ų | 137.8 | 69% | 0.686 | 75% | 0.751 | S | S | * | * | trans | -121 | 7.9 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S5 | S5-A7 VanDerWaalsContact C-N 3.33Å; S5-A7 PolarHBondContact O-N 2.68Å | ||
| 8 | G | 30.8 | Very low | 42.2 | Very low | 48 Ų | 48 | 136.4 Ų | 136.4 | 50% | 0.495 | 75% | 0.75 | S | S | . | * | S | Bend | trans | -97.1 | -30.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 9 | D | 36 | Very low | 44.5 | Very low | 145 Ų | 145 | 135.1 Ų | 135.1 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -93.6 | -5.1 | -164.4 | -73.7 | -24.2 | 0 | 0 | 0 | 115.2 | N11 | D9-N11 VanDerWaalsContact C-N 3.33Å; D9-N11 PolarHBondContact O-N 2.83Å |
| 10 | H | 36.4 | Very low | 46.6 | Very low | 153 Ų | 153 | 130 Ų | 130 | 71% | 0.708 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -81.4 | -8 | 178 | -79.9 | -59 | 0 | 0 | 0 | 114.5 | ||
| 11 | N | 34.4 | Very low | 48.6 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 68% | 0.684 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -102.7 | -3.6 | -174.5 | -68.8 | -26.6 | 0 | 0 | 0 | 115.1 | D9 | D9-N11 VanDerWaalsContact C-N 3.33Å; D9-N11 PolarHBondContact O-N 2.83Å |
| 12 | I | 41.3 | Very low | 51.4 | Low | 143 Ų | 143 | 119.8 Ų | 119.8 | 73% | 0.733 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -97.3 | -17.9 | -177.7 | -60.3 | -175.4 | 0 | 0 | 0 | 112.6 | ||
| 13 | L | 43.3 | Very low | 54.2 | Low | 162 Ų | 162 | 120.6 Ų | 120.6 | 85% | 0.848 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -108.9 | 16.2 | -172 | -144.8 | 85.4 | 0 | 0 | 0 | 115.8 | ||
| 14 | Q | 43.2 | Very low | 57.1 | Low | 170 Ų | 170 | 114 Ų | 114 | 79% | 0.794 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -122.8 | -5.2 | 177.4 | -85.8 | -173.7 | -22.6 | 0 | 0 | 115.6 | V16 | Q14-V16 PolarHBondContact O-N 3.41Š|
| 15 | N | 43.9 | Very low | 60.1 | Low | 147 Ų | 147 | 105.8 Ų | 105.8 | 79% | 0.786 | 59% | 0.588 | S | S | * | * | trans | -91.2 | 70.8 | 171 | -78.3 | -19.8 | 0 | 0 | 0 | 110.7 | S17 | N15-S17 VanDerWaalsContact C-N 3.25Å; N15-S17 PolarHBondContact O-N 3.32Å | ||
| 16 | V | 56.6 | Low | 63 | Low | 98 Ų | 98 | 103.7 Ų | 103.7 | 59% | 0.594 | 57% | 0.571 | S | S | * | * | trans | -63.8 | 102.6 | 151.2 | 179.4 | 0 | 0 | 0 | 0 | 104.7 | Q14 A20 | Q14-V16 PolarHBondContact O-N 3.41Å; V16-A20 HydrophobicContact CG1-CB 4.38Å | ||
| 17 | S | 72.3 | Confident | 65.7 | Low | 54 Ų | 54 | 96.9 Ų | 96.9 | 38% | 0.378 | 55% | 0.545 | S | S | . | . | trans | -55.5 | 136 | -173.7 | 61.8 | 0 | 0 | 0 | 0 | 109.1 | N15 L19 A20 T21 | N15-S17 VanDerWaalsContact C-N 3.25Å; N15-S17 PolarHBondContact O-N 3.32Å; S17-L19 PolarHBondContact O-N 3.31Å; S17-A20 WeakPolarHBondContact O-CB 3.41Å; S17-A20 PolarHBondContact O-N 3.12Å; S17-A20 WeakPolarHBondContact OG-CB 3.48Å; S17-A20 PolarHBondContact OG-N 3.08Å; S17-T21 PolarHBondContact O-N 2.94Å | ||
| 18 | P | 82.7 | Confident | 68.6 | Low | 113 Ų | 113 | 93 Ų | 93 | 73% | 0.734 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -54.3 | -27.9 | 178.5 | 20.9 | -32.8 | 0 | 0 | 0 | 111.6 | F22 | P18-F22 WeakPolarHBondContact O-CB 3.47Å; P18-F22 PolarHBondContact O-N 2.86Å |
| 19 | L | 87 | Confident | 71.7 | Confident | 110 Ų | 110 | 92.2 Ų | 92.2 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.7 | -46.7 | 170.1 | -177 | 62.3 | 0 | 0 | 0 | 113.2 | S17 T21 F22 L23 | S17-L19 PolarHBondContact O-N 3.31Å; L19-T21 PolarHBondContact O-N 3.44Å; L19-F22 PolarHBondContact O-N 3.13Å; L19-L23 HydrophobicContact CD1-CD1 4.36Å; L19-L23 HydrophobicContact CD1-CG 4.35Å; L19-L23 HydrophobicContact CG-CD1 4.12Å; L19-L23 WeakPolarHBondContact O-CB 3.29Å; L19-L23 VanDerWaalsContact O-CG 3.25Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 3.37Å |
| 20 | A | 85.9 | Confident | 74.6 | Confident | 33 Ų | 33 | 91.8 Ų | 91.8 | 27% | 0.273 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -43 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V16 S17 L23 K24 | V16-A20 HydrophobicContact CG1-CB 4.38Å; S17-A20 WeakPolarHBondContact O-CB 3.41Å; S17-A20 PolarHBondContact O-N 3.12Å; S17-A20 WeakPolarHBondContact OG-CB 3.48Å; S17-A20 PolarHBondContact OG-N 3.08Å; A20-L23 PolarHBondContact O-N 3.45Å; A20-K24 WeakPolarHBondContact O-CG 3.43Å; A20-K24 PolarHBondContact O-N 3.31Å |
| 21 | T | 89 | Confident | 77.4 | Confident | 41 Ų | 41 | 85.6 Ų | 85.6 | 25% | 0.252 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 175.5 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | S17 L19 L23 K24 L25 V82 | S17-T21 PolarHBondContact O-N 2.94Å; L19-T21 PolarHBondContact O-N 3.44Å; T21-L23 PolarHBondContact O-N 2.8Å; T21-K24 PolarHBondContact O-N 3.11Å; T21-L25 HydrophobicContact CG2-CD1 4.23Å; T21-L25 WeakPolarHBondContact O-CG 3.49Å; T21-L25 PolarHBondContact O-N 3.38Å; T21-V82 HydrophobicContact CG2-CG1 4.12Å |
| 22 | F | 92.3 | Very high | 80.4 | Confident | 129 Ų | 129 | 81 Ų | 81 | 57% | 0.566 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -59.7 | -44.4 | 174.9 | 177.3 | -98.9 | 0 | 0 | 0 | 112.2 | P18 L19 L25 T26 | P18-F22 WeakPolarHBondContact O-CB 3.47Å; P18-F22 PolarHBondContact O-N 2.86Å; L19-F22 PolarHBondContact O-N 3.13Å; F22-L25 PolarHBondContact O-N 2.96Å; F22-T26 HydrophobicContact CD1-CG2 4.33Å; F22-T26 HydrophobicContact CD2-CG2 4.25Å; F22-T26 HydrophobicContact CE1-CG2 3.92Å; F22-T26 HydrophobicContact CE2-CG2 3.84Å; F22-T26 HydrophobicContact CG-CG2 4.48Å; F22-T26 HydrophobicContact CZ-CG2 3.66Å; F22-T26 WeakPolarHBondContact O-CB 3.41Å; F22-T26 WeakPolarHBondContact O-CG2 3.31Å; F22-T26 PolarHBondContact O-N 3.47Å; F22-T26 PolarHBondContact O-OG1 3.03Å |
| 23 | L | 92.4 | Very high | 83 | Confident | 97 Ų | 97 | 75.8 Ų | 75.8 | 51% | 0.508 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 176.1 | -71.2 | 172.9 | 0 | 0 | 0 | 111.9 | L19 A20 T21 T26 S27 | L19-L23 HydrophobicContact CD1-CD1 4.36Å; L19-L23 HydrophobicContact CD1-CG 4.35Å; L19-L23 HydrophobicContact CG-CD1 4.12Å; L19-L23 WeakPolarHBondContact O-CB 3.29Å; L19-L23 VanDerWaalsContact O-CG 3.25Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 3.37Å; A20-L23 PolarHBondContact O-N 3.45Å; T21-L23 PolarHBondContact O-N 2.8Å; L23-T26 WeakPolarHBondContact CA-OG1 3.43Å; L23-T26 PolarHBondContact O-OG1 2.82Å; L23-T26 VanDerWaalsContact O-OG1 3.12Å; L23-S27 VanDerWaalsContact O-CB 3.27Å; L23-S27 WeakPolarHBondContact O-CB 3.27Å; L23-S27 PolarHBondContact O-N 2.93Å; L23-S27 PolarHBondContact O-OG 3.41Å |
| 24 | K | 92.3 | Very high | 85.5 | Confident | 36 Ų | 36 | 69.3 Ų | 69.3 | 16% | 0.157 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.6 | -47.5 | 174.4 | -75.8 | -175.6 | 172.2 | -168.2 | 0 | 111.9 | A20 T21 S27 L28 V82 D171 W327 | A20-K24 WeakPolarHBondContact O-CG 3.43Å; A20-K24 PolarHBondContact O-N 3.31Å; T21-K24 PolarHBondContact O-N 3.11Å; K24-S27 PolarHBondContact O-OG 3.46Å; K24-S27 VanDerWaalsContact O-OG 3.1Å; K24-L28 WeakPolarHBondContact O-CB 3.45Å; K24-L28 PolarHBondContact O-N 2.77Å; K24-V82 HydrophobicContact CB-CG1 3.88Å; K24-V82 HydrophobicContact CD-CG1 4.27Å; K24-D171 IonicContact NZ-OD2 2.7Å; K24-D171 PolarHBondContact NZ-OD2 3.45Å; K24-W327 HydrophobicContact CB-CZ2 3.95Å; K24-W327 HydrophobicContact CD-CH2 4.46Å; K24-W327 HydrophobicContact CD-CZ2 3.79Å; K24-W327 HydrophobicContact CG-CZ2 3.64Å |
| 25 | L | 94.9 | Very high | 88 | Confident | 38 Ų | 38 | 61.2 Ų | 61.2 | 20% | 0.199 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.9 | -44.6 | -178.7 | -69.4 | 174 | 0 | 0 | 0 | 112.3 | T21 F22 G29 F79 V82 K83 | T21-L25 HydrophobicContact CG2-CD1 4.23Å; T21-L25 WeakPolarHBondContact O-CG 3.49Å; T21-L25 PolarHBondContact O-N 3.38Å; F22-L25 PolarHBondContact O-N 2.96Å; L25-G29 PolarHBondContact O-N 3.29Å; L25-F79 HydrophobicContact CB-CE2 4.13Å; L25-F79 HydrophobicContact CB-CZ 4.46Å; L25-F79 HydrophobicContact CD2-CD1 4.33Å; L25-F79 HydrophobicContact CD2-CD2 3.96Å; L25-F79 HydrophobicContact CD2-CE1 4.18Å; L25-F79 HydrophobicContact CD2-CE2 3.8Å; L25-F79 HydrophobicContact CD2-CG 4.22Å; L25-F79 HydrophobicContact CD2-CZ 3.91Å; L25-F79 WeakPolarHBondContact O-CE2 3.45Å; L25-V82 HydrophobicContact CD2-CB 3.92Å; L25-V82 HydrophobicContact CD2-CG1 3.69Å; L25-V82 HydrophobicContact CG-CG1 3.9Å; L25-K83 HydrophobicContact CD2-CB 4.28Å |
| 26 | T | 95.3 | Very high | 90.5 | Very high | 64 Ų | 64 | 55.8 Ų | 55.8 | 39% | 0.393 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.7 | -46.1 | 179.2 | 49.3 | 0 | 0 | 0 | 0 | 112 | F22 L23 G29 F30 | F22-T26 HydrophobicContact CD1-CG2 4.33Å; F22-T26 HydrophobicContact CD2-CG2 4.25Å; F22-T26 HydrophobicContact CE1-CG2 3.92Å; F22-T26 HydrophobicContact CE2-CG2 3.84Å; F22-T26 HydrophobicContact CG-CG2 4.48Å; F22-T26 HydrophobicContact CZ-CG2 3.66Å; F22-T26 WeakPolarHBondContact O-CB 3.41Å; F22-T26 WeakPolarHBondContact O-CG2 3.31Å; F22-T26 PolarHBondContact O-N 3.47Å; F22-T26 PolarHBondContact O-OG1 3.03Å; L23-T26 WeakPolarHBondContact CA-OG1 3.43Å; L23-T26 PolarHBondContact O-OG1 2.82Å; L23-T26 VanDerWaalsContact O-OG1 3.12Å; T26-G29 PolarHBondContact O-N 3.21Å; T26-F30 PolarHBondContact O-N 3.39Å |
| 27 | S | 95.3 | Very high | 92.3 | Very high | 43 Ų | 43 | 55.9 Ų | 55.9 | 30% | 0.301 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 176.7 | 57.3 | 0 | 0 | 0 | 0 | 112.5 | L23 K24 F30 I31 | L23-S27 VanDerWaalsContact O-CB 3.27Å; L23-S27 WeakPolarHBondContact O-CB 3.27Å; L23-S27 PolarHBondContact O-N 2.93Å; L23-S27 PolarHBondContact O-OG 3.41Å; K24-S27 PolarHBondContact O-OG 3.46Å; K24-S27 VanDerWaalsContact O-OG 3.1Å; S27-F30 WeakPolarHBondContact O-CB 3.33Å; S27-F30 PolarHBondContact O-N 2.94Å; S27-I31 VanDerWaalsContact O-CG1 3.31Å; S27-I31 WeakPolarHBondContact O-CG1 3.41Å; S27-I31 PolarHBondContact O-N 3.03Å |
| 28 | L | 95.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 177.3 | -175.7 | 61.5 | 0 | 0 | 0 | 111.8 | K24 F30 I31 I32 F75 V78 F79 F330 | K24-L28 WeakPolarHBondContact O-CB 3.45Å; K24-L28 PolarHBondContact O-N 2.77Å; L28-F30 VanDerWaalsContact C-N 3.31Å; L28-F30 PolarHBondContact O-N 3.43Å; L28-I31 PolarHBondContact O-N 3.33Å; L28-I32 HydrophobicContact CG-CD1 4.1Å; L28-I32 VanDerWaalsContact O-CG1 3.28Å; L28-I32 WeakPolarHBondContact O-CG1 3.19Å; L28-I32 PolarHBondContact O-N 3.18Å; L28-F75 HydrophobicContact CD1-CB 4.31Å; L28-F75 HydrophobicContact CD1-CG 4.35Å; L28-V78 HydrophobicContact CD2-CB 4.19Å; L28-V78 HydrophobicContact CD2-CG1 3.91Å; L28-F79 HydrophobicContact CD2-CB 3.77Å; L28-F79 HydrophobicContact CD2-CD2 4.21Å; L28-F79 HydrophobicContact CD2-CG 4.48Å; L28-F79 HydrophobicContact CG-CD2 4.4Å; L28-F330 HydrophobicContact CD1-CD2 4.03Å |
| 29 | G | 96.6 | Very high | 93.9 | Very high | 32 Ų | 32 | 48.5 Ų | 48.5 | 33% | 0.33 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.4 | -41.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L25 T26 I32 G33 | L25-G29 PolarHBondContact O-N 3.29Å; T26-G29 PolarHBondContact O-N 3.21Å; G29-I32 PolarHBondContact O-N 3.38Å; G29-G33 PolarHBondContact O-N 3.13Å |
| 30 | F | 95.9 | Very high | 94.3 | Very high | 136 Ų | 136 | 46.9 Ų | 46.9 | 60% | 0.596 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -63.8 | -44.8 | 173.4 | -179.7 | -100.9 | 0 | 0 | 0 | 112.3 | T26 S27 L28 I32 G33 V34 | T26-F30 PolarHBondContact O-N 3.39Å; S27-F30 WeakPolarHBondContact O-CB 3.33Å; S27-F30 PolarHBondContact O-N 2.94Å; L28-F30 VanDerWaalsContact C-N 3.31Å; L28-F30 PolarHBondContact O-N 3.43Å; F30-I32 VanDerWaalsContact C-N 3.35Å; F30-I32 PolarHBondContact O-N 3.36Å; F30-G33 PolarHBondContact O-N 3.45Å; F30-V34 HydrophobicContact CD1-CG2 4.24Å; F30-V34 HydrophobicContact CD2-CG2 4.33Å; F30-V34 HydrophobicContact CE1-CG2 3.81Å; F30-V34 HydrophobicContact CE2-CG2 3.9Å; F30-V34 HydrophobicContact CG-CG2 4.5Å; F30-V34 HydrophobicContact CZ-CG2 3.62Å; F30-V34 WeakPolarHBondContact O-CG2 3.49Å; F30-V34 PolarHBondContact O-N 2.9Å |
| 31 | I | 96.2 | Very high | 94.6 | Very high | 23 Ų | 23 | 47.8 Ų | 47.8 | 12% | 0.118 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.7 | -45 | 176.6 | -69.7 | 165.3 | 0 | 0 | 0 | 110.9 | S27 L28 G35 F75 F330 A331 | S27-I31 VanDerWaalsContact O-CG1 3.31Å; S27-I31 WeakPolarHBondContact O-CG1 3.41Å; S27-I31 PolarHBondContact O-N 3.03Å; L28-I31 PolarHBondContact O-N 3.33Å; I31-G35 WeakPolarHBondContact O-CA 3.42Å; I31-G35 PolarHBondContact O-N 2.98Å; I31-F75 HydrophobicContact CG2-CD2 4.15Å; I31-F75 HydrophobicContact CG2-CE2 3.75Å; I31-F330 HydrophobicContact CD1-CB 4.16Å; I31-F330 HydrophobicContact CG2-CB 4.39Å; I31-F330 WeakPolarHBondContact CG2-O 3.33Å; I31-A331 HydrophobicContact CD1-CB 4.4Å |
| 32 | I | 97.1 | Very high | 94.8 | Very high | 31 Ų | 31 | 46 Ų | 46 | 16% | 0.159 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.2 | -48 | 176.1 | -68.1 | 165.7 | 0 | 0 | 0 | 110.2 | L28 G29 F30 V34 G35 V36 F75 F79 | L28-I32 HydrophobicContact CG-CD1 4.1Å; L28-I32 VanDerWaalsContact O-CG1 3.28Å; L28-I32 WeakPolarHBondContact O-CG1 3.19Å; L28-I32 PolarHBondContact O-N 3.18Å; G29-I32 PolarHBondContact O-N 3.38Å; F30-I32 VanDerWaalsContact C-N 3.35Å; F30-I32 PolarHBondContact O-N 3.36Å; I32-V34 PolarHBondContact O-N 2.89Å; I32-G35 PolarHBondContact O-N 3.4Å; I32-V36 HydrophobicContact CG2-CG2 4.29Å; I32-V36 WeakPolarHBondContact O-CB 3.28Å; I32-V36 WeakPolarHBondContact O-CG2 3.13Å; I32-V36 PolarHBondContact O-N 3.4Å; I32-F75 HydrophobicContact CD1-CB 3.82Å; I32-F75 HydrophobicContact CG1-CB 3.52Å; I32-F75 HydrophobicContact CG1-CD2 4.07Å; I32-F75 HydrophobicContact CG1-CG 4.3Å; I32-F79 HydrophobicContact CD1-CB 4.36Å |
| 33 | G | 96 | Very high | 94.8 | Very high | 33 Ų | 33 | 40.7 Ų | 40.7 | 34% | 0.34 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.3 | -50.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G29 F30 V37 | G29-G33 PolarHBondContact O-N 3.13Å; F30-G33 PolarHBondContact O-N 3.45Å; G33-V37 VanDerWaalsContact O-CB 3.23Å; G33-V37 WeakPolarHBondContact O-CB 3.43Å; G33-V37 WeakPolarHBondContact O-CG2 3.32Å; G33-V37 PolarHBondContact O-N 3.34Å |
| 34 | V | 94.8 | Very high | 94.8 | Very high | 27 Ų | 27 | 40 Ų | 40 | 16% | 0.164 | 23% | 0.234 | C | C | . | . | I | π-helix | trans | -65.6 | -43 | 177.6 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | F30 I32 G38 F338 | F30-V34 HydrophobicContact CD1-CG2 4.24Å; F30-V34 HydrophobicContact CD2-CG2 4.33Å; F30-V34 HydrophobicContact CE1-CG2 3.81Å; F30-V34 HydrophobicContact CE2-CG2 3.9Å; F30-V34 HydrophobicContact CG-CG2 4.5Å; F30-V34 HydrophobicContact CZ-CG2 3.62Å; F30-V34 WeakPolarHBondContact O-CG2 3.49Å; F30-V34 PolarHBondContact O-N 2.9Å; I32-V34 PolarHBondContact O-N 2.89Å; V34-G38 VanDerWaalsContact O-CA 3.23Å; V34-G38 WeakPolarHBondContact O-CA 3.16Å; V34-G38 PolarHBondContact O-N 2.91Å; V34-F338 HydrophobicContact CG1-CE2 3.74Å; V34-F338 HydrophobicContact CG1-CZ 4.09Å |
| 35 | G | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -63.1 | -42.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | I31 I32 N39 | I31-G35 WeakPolarHBondContact O-CA 3.42Å; I31-G35 PolarHBondContact O-N 2.98Å; I32-G35 PolarHBondContact O-N 3.4Å; G35-N39 VanDerWaalsContact O-CB 3.27Å; G35-N39 WeakPolarHBondContact O-CB 3.49Å; G35-N39 PolarHBondContact O-ND2 3.42Å |
| 36 | V | 96.6 | Very high | 94.4 | Very high | 32 Ų | 32 | 37 Ų | 37 | 19% | 0.194 | 22% | 0.22 | C | C | . | . | I | π-helix | trans | -80.1 | -59.1 | 178.8 | 177 | 0 | 0 | 0 | 0 | 110.9 | I32 G38 L40 A72 | I32-V36 HydrophobicContact CG2-CG2 4.29Å; I32-V36 WeakPolarHBondContact O-CB 3.28Å; I32-V36 WeakPolarHBondContact O-CG2 3.13Å; I32-V36 PolarHBondContact O-N 3.4Å; V36-G38 PolarHBondContact O-N 3.1Å; V36-L40 HydrophobicContact CG1-CD1 3.69Å; V36-L40 VanDerWaalsContact O-CB 3.26Å; V36-L40 WeakPolarHBondContact O-CB 3.26Å; V36-L40 WeakPolarHBondContact O-CD1 3.46Å; V36-L40 WeakPolarHBondContact O-CG 3.42Å; V36-L40 PolarHBondContact O-N 3.06Å; V36-A72 HydrophobicContact CG2-CB 4Å |
| 37 | V | 95.2 | Very high | 94.2 | Very high | 100 Ų | 100 | 38 Ų | 38 | 61% | 0.606 | 23% | 0.226 | S | C | * | . | I | π-helix | trans | -66.9 | -42.9 | -172.6 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | G33 L41 | G33-V37 VanDerWaalsContact O-CB 3.23Å; G33-V37 WeakPolarHBondContact O-CB 3.43Å; G33-V37 WeakPolarHBondContact O-CG2 3.32Å; G33-V37 PolarHBondContact O-N 3.34Å; V37-L41 VanDerWaalsContact O-CB 3.25Å; V37-L41 WeakPolarHBondContact O-CB 3.37Å; V37-L41 PolarHBondContact O-N 3.48Å |
| 38 | G | 93.4 | Very high | 93.9 | Very high | 12 Ų | 12 | 43.4 Ų | 43.4 | 12% | 0.124 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -65.3 | -48.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V34 V36 L41 I42 | V34-G38 VanDerWaalsContact O-CA 3.23Å; V34-G38 WeakPolarHBondContact O-CA 3.16Å; V34-G38 PolarHBondContact O-N 2.91Å; V36-G38 PolarHBondContact O-N 3.1Å; G38-L41 PolarHBondContact O-N 2.61Å; G38-I42 WeakPolarHBondContact O-CG1 3.48Å; G38-I42 PolarHBondContact O-N 3.21Å; G38-I42 VanDerWaalsContact O-N 3.08Å |
| 39 | N | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -70.8 | -33.5 | 179.9 | -72 | -65.9 | 0 | 0 | 0 | 112.2 | G35 I42 S43 C64 I68 A333 P337 | G35-N39 VanDerWaalsContact O-CB 3.27Å; G35-N39 WeakPolarHBondContact O-CB 3.49Å; G35-N39 PolarHBondContact O-ND2 3.42Å; N39-I42 PolarHBondContact O-N 3.39Å; N39-S43 WeakPolarHBondContact O-CB 3.33Å; N39-S43 PolarHBondContact O-N 3.48Å; N39-S43 PolarHBondContact O-OG 3.29Å; N39-C64 HydrophobicContact CB-CB 4Å; N39-C64 PolarHBondContact OD1-SG 2.97Å; N39-I68 HydrophobicContact CB-CD1 3.97Å; N39-I68 HydrophobicContact CB-CG1 3.61Å; N39-A333 PolarHBondContact ND2-O 3.33Å; N39-P337 WeakPolarHBondContact OD1-CD 3.19Å |
| 40 | L | 95.1 | Very high | 92.8 | Very high | 77 Ų | 77 | 52.1 Ų | 52.1 | 40% | 0.403 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.3 | -45.6 | 172.5 | -79.5 | 171.1 | 0 | 0 | 0 | 111.5 | V36 I42 S43 I44 I68 | V36-L40 HydrophobicContact CG1-CD1 3.69Å; V36-L40 VanDerWaalsContact O-CB 3.26Å; V36-L40 WeakPolarHBondContact O-CB 3.26Å; V36-L40 WeakPolarHBondContact O-CD1 3.46Å; V36-L40 WeakPolarHBondContact O-CG 3.42Å; V36-L40 PolarHBondContact O-N 3.06Å; L40-I42 PolarHBondContact O-N 3.11Å; L40-S43 WeakPolarHBondContact O-CB 3.33Å; L40-S43 PolarHBondContact O-N 3.29Å; L40-I44 VanDerWaalsContact O-CG1 3.28Å; L40-I44 WeakPolarHBondContact O-CG1 3.35Å; L40-I44 PolarHBondContact O-N 3.36Å; L40-I68 HydrophobicContact CB-CD1 4.5Å; L40-I68 HydrophobicContact CD2-CD1 3.72Å; L40-I68 HydrophobicContact CG-CD1 3.84Å; L40-I68 HydrophobicContact CG-CG1 4.28Å |
| 41 | L | 92.1 | Very high | 92 | Very high | 52 Ų | 52 | 49 Ų | 49 | 27% | 0.272 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 177.7 | 172 | 66.4 | 0 | 0 | 0 | 111.6 | V37 G38 S43 I44 L45 F351 | V37-L41 VanDerWaalsContact O-CB 3.25Å; V37-L41 WeakPolarHBondContact O-CB 3.37Å; V37-L41 PolarHBondContact O-N 3.48Å; G38-L41 PolarHBondContact O-N 2.61Å; L41-S43 VanDerWaalsContact C-N 3.33Å; L41-S43 PolarHBondContact O-N 3.5Å; L41-I44 PolarHBondContact O-N 2.73Å; L41-L45 HydrophobicContact CD1-CD1 4.5Å; L41-L45 HydrophobicContact CG-CD1 4.42Å; L41-L45 VanDerWaalsContact O-CG 3.32Å; L41-L45 WeakPolarHBondContact O-CG 3.44Å; L41-L45 PolarHBondContact O-N 3.05Å; L41-F351 HydrophobicContact CD1-CD2 3.95Å; L41-F351 HydrophobicContact CD1-CE2 3.71Å; L41-F351 HydrophobicContact CD2-CD2 3.84Å; L41-F351 HydrophobicContact CD2-CE2 3.2Å; L41-F351 HydrophobicContact CD2-CZ 3.9Å; L41-F351 HydrophobicContact CG-CD2 4.16Å; L41-F351 HydrophobicContact CG-CE2 3.89Å |
| 42 | I | 92 | Very high | 91.4 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.015 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 175.4 | -65.6 | -58.9 | 0 | 0 | 0 | 110.5 | G38 N39 L40 I44 L45 L46 L60 P337 C340 | G38-I42 WeakPolarHBondContact O-CG1 3.48Å; G38-I42 PolarHBondContact O-N 3.21Å; G38-I42 VanDerWaalsContact O-N 3.08Å; N39-I42 PolarHBondContact O-N 3.39Å; L40-I42 PolarHBondContact O-N 3.11Å; I42-I44 VanDerWaalsContact C-N 3.34Å; I42-I44 PolarHBondContact O-N 3.09Å; I42-L45 HydrophobicContact CD1-CD1 4.45Å; I42-L45 WeakPolarHBondContact O-CB 3.26Å; I42-L45 PolarHBondContact O-N 2.95Å; I42-L45 VanDerWaalsContact O-N 3.16Å; I42-L46 HydrophobicContact CG2-CD1 3.87Å; I42-L46 HydrophobicContact CG2-CG 4.19Å; I42-L46 VanDerWaalsContact O-CG 3.31Å; I42-L46 WeakPolarHBondContact O-CG 3.4Å; I42-L46 PolarHBondContact O-N 2.91Å; I42-L60 HydrophobicContact CG2-CD2 4.39Å; I42-P337 HydrophobicContact CG1-CB 4.18Å; I42-P337 HydrophobicContact CG1-CG 4.44Å; I42-C340 HydrophobicContact CD1-CB 3.73Å; I42-C340 HydrophobicContact CG1-CB 4.38Å |
| 43 | S | 93.9 | Very high | 90.9 | Very high | 17 Ų | 17 | 50.5 Ų | 50.5 | 12% | 0.119 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 178.8 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | N39 L40 L41 L45 L46 V47 C64 | N39-S43 WeakPolarHBondContact O-CB 3.33Å; N39-S43 PolarHBondContact O-N 3.48Å; N39-S43 PolarHBondContact O-OG 3.29Å; L40-S43 WeakPolarHBondContact O-CB 3.33Å; L40-S43 PolarHBondContact O-N 3.29Å; L41-S43 VanDerWaalsContact C-N 3.33Å; L41-S43 PolarHBondContact O-N 3.5Å; S43-L45 PolarHBondContact O-N 3.43Å; S43-L46 PolarHBondContact O-N 3.43Å; S43-V47 WeakPolarHBondContact O-CG2 3.12Å; S43-V47 PolarHBondContact O-N 3.32Å; S43-C64 WeakPolarHBondContact OG-CB 3.02Å |
| 44 | I | 91.2 | Very high | 90.5 | Very high | 83 Ų | 83 | 53.4 Ų | 53.4 | 43% | 0.426 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.4 | -43 | 177.1 | -68.4 | 164.3 | 0 | 0 | 0 | 111.3 | L40 L41 I42 V47 K48 | L40-I44 VanDerWaalsContact O-CG1 3.28Å; L40-I44 WeakPolarHBondContact O-CG1 3.35Å; L40-I44 PolarHBondContact O-N 3.36Å; L41-I44 PolarHBondContact O-N 2.73Å; I42-I44 VanDerWaalsContact C-N 3.34Å; I42-I44 PolarHBondContact O-N 3.09Å; I44-V47 PolarHBondContact O-N 3.28Å; I44-K48 HydrophobicContact CG2-CD 4.09Å; I44-K48 HydrophobicContact CG2-CG 4.39Å; I44-K48 WeakPolarHBondContact O-CB 3.39Å; I44-K48 WeakPolarHBondContact O-CG 3.47Å; I44-K48 PolarHBondContact O-N 2.97Å |
| 45 | L | 89.3 | Confident | 90.3 | Very high | 5 Ų | 5 | 52.5 Ų | 52.5 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 178.4 | -69.8 | 170.7 | 0 | 0 | 0 | 111.7 | L41 I42 S43 V47 D49 C350 F351 T354 | L41-L45 HydrophobicContact CD1-CD1 4.5Å; L41-L45 HydrophobicContact CG-CD1 4.42Å; L41-L45 VanDerWaalsContact O-CG 3.32Å; L41-L45 WeakPolarHBondContact O-CG 3.44Å; L41-L45 PolarHBondContact O-N 3.05Å; I42-L45 HydrophobicContact CD1-CD1 4.45Å; I42-L45 WeakPolarHBondContact O-CB 3.26Å; I42-L45 PolarHBondContact O-N 2.95Å; I42-L45 VanDerWaalsContact O-N 3.16Å; S43-L45 PolarHBondContact O-N 3.43Å; L45-V47 VanDerWaalsContact C-N 3.35Å; L45-V47 PolarHBondContact O-N 3.46Å; L45-D49 WeakPolarHBondContact O-CB 3.29Å; L45-D49 PolarHBondContact O-N 3.05Å; L45-D49 VanDerWaalsContact O-N 3.08Å; L45-C350 HydrophobicContact CD2-CB 4.47Å; L45-F351 HydrophobicContact CD1-CB 4Å; L45-F351 HydrophobicContact CD1-CD2 4.03Å; L45-F351 HydrophobicContact CD1-CG 4.47Å; L45-T354 HydrophobicContact CD2-CG2 4.37Å; L45-T354 WeakPolarHBondContact CD2-OG1 3.37Å |
| 46 | L | 90.8 | Very high | 90.1 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 179.9 | -66.2 | 177.9 | 0 | 0 | 0 | 112.3 | I42 S43 L52 H53 Y57 L60 L61 L347 | I42-L46 HydrophobicContact CG2-CD1 3.87Å; I42-L46 HydrophobicContact CG2-CG 4.19Å; I42-L46 VanDerWaalsContact O-CG 3.31Å; I42-L46 WeakPolarHBondContact O-CG 3.4Å; I42-L46 PolarHBondContact O-N 2.91Å; S43-L46 PolarHBondContact O-N 3.43Å; L46-L52 HydrophobicContact CD2-CB 4.38Å; L46-L52 HydrophobicContact CD2-CD1 4.04Å; L46-H53 PolarHBondContact O-CD2 3.2Å; L46-H53 PolarHBondContact O-NE2 3.48Å; L46-Y57 HydrophobicContact CD2-CD1 3.74Å; L46-Y57 HydrophobicContact CD2-CG 4.17Å; L46-L60 HydrophobicContact CD1-CB 4.18Å; L46-L60 HydrophobicContact CD1-CD2 3.88Å; L46-L60 HydrophobicContact CD1-CG 3.9Å; L46-L60 HydrophobicContact CD2-CD2 4.42Å; L46-L61 HydrophobicContact CB-CD1 4.48Å; L46-L61 HydrophobicContact CD1-CB 4.14Å; L46-L61 HydrophobicContact CD1-CD1 4.48Å; L46-L347 HydrophobicContact CD2-CD2 3.83Å |
| 47 | V | 91.3 | Very high | 89.9 | Confident | 86 Ų | 86 | 51.1 Ų | 51.1 | 52% | 0.521 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -73.4 | -43.5 | 178.8 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | S43 I44 L45 H53 L61 | S43-V47 WeakPolarHBondContact O-CG2 3.12Å; S43-V47 PolarHBondContact O-N 3.32Å; I44-V47 PolarHBondContact O-N 3.28Å; L45-V47 VanDerWaalsContact C-N 3.35Å; L45-V47 PolarHBondContact O-N 3.46Å; V47-H53 PolarHBondContact O-NE2 3.36Å; V47-L61 HydrophobicContact CG2-CD1 4.16Å; V47-L61 HydrophobicContact CG2-CD2 4.05Å |
| 48 | K | 87.9 | Confident | 89.9 | Confident | 155 Ų | 155 | 48.9 Ų | 48.9 | 67% | 0.674 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -70 | -38.1 | -176.9 | -80.1 | -168.3 | 170.8 | -178 | 0 | 113.4 | I44 K50 | I44-K48 HydrophobicContact CG2-CD 4.09Å; I44-K48 HydrophobicContact CG2-CG 4.39Å; I44-K48 WeakPolarHBondContact O-CB 3.39Å; I44-K48 WeakPolarHBondContact O-CG 3.47Å; I44-K48 PolarHBondContact O-N 2.97Å; K48-K50 PolarHBondContact O-N 3.36Å |
| 49 | D | 84.9 | Confident | 90 | Very high | 40 Ų | 40 | 48.3 Ų | 48.3 | 21% | 0.214 | 24% | 0.238 | C | C | . | . | trans | -90.7 | 105.4 | -175.5 | -170.1 | -11.9 | 0 | 0 | 0 | 112 | L45 S51 L52 H53 C350 | L45-D49 WeakPolarHBondContact O-CB 3.29Å; L45-D49 PolarHBondContact O-N 3.05Å; L45-D49 VanDerWaalsContact O-N 3.08Å; D49-S51 PolarHBondContact O-N 3.43Å; D49-S51 VanDerWaalsContact OD1-CB 3.24Å; D49-S51 WeakPolarHBondContact OD1-CB 3.33Å; D49-S51 PolarHBondContact OD1-N 3.37Å; D49-S51 PolarHBondContact OD1-OG 3.11Å; D49-S51 PolarHBondContact OD2-OG 2.87Å; D49-S51 VanDerWaalsContact OD2-OG 3.09Å; D49-L52 HydrophobicContact CB-CD1 3.93Å; D49-L52 HydrophobicContact CB-CG 4.15Å; D49-L52 PolarHBondContact O-N 3.34Å; D49-L52 VanDerWaalsContact O-N 3.12Å; D49-H53 PolarHBondContact O-CD2 3.3Å; D49-C350 PolarHBondContact OD2-SG 3.38Å | ||
| 50 | K | 84.1 | Confident | 90 | Very high | 176 Ų | 176 | 48.3 Ų | 48.3 | 77% | 0.765 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -61.2 | -24.4 | 177.2 | -61.5 | -175.8 | -178.7 | -177.5 | 0 | 113.3 | K48 L52 H53 | K48-K50 PolarHBondContact O-N 3.36Å; K50-L52 PolarHBondContact O-N 3.19Å; K50-H53 WeakPolarHBondContact O-CB 3.47Å; K50-H53 PolarHBondContact O-N 3.37Å |
| 51 | S | 80.1 | Confident | 90 | Very high | 71 Ų | 71 | 47 Ų | 47 | 50% | 0.497 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -67.3 | -22.8 | 178.5 | 74.7 | 0 | 0 | 0 | 0 | 112.7 | D49 | D49-S51 PolarHBondContact O-N 3.43Å; D49-S51 VanDerWaalsContact OD1-CB 3.24Å; D49-S51 WeakPolarHBondContact OD1-CB 3.33Å; D49-S51 PolarHBondContact OD1-N 3.37Å; D49-S51 PolarHBondContact OD1-OG 3.11Å; D49-S51 PolarHBondContact OD2-OG 2.87Å; D49-S51 VanDerWaalsContact OD2-OG 3.09Å |
| 52 | L | 82.8 | Confident | 90.3 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -92.5 | 3.2 | 178.1 | -58 | 175.7 | 0 | 0 | 0 | 112.7 | L46 D49 K50 R54 Y57 L347 | L46-L52 HydrophobicContact CD2-CB 4.38Å; L46-L52 HydrophobicContact CD2-CD1 4.04Å; D49-L52 HydrophobicContact CB-CD1 3.93Å; D49-L52 HydrophobicContact CB-CG 4.15Å; D49-L52 PolarHBondContact O-N 3.34Å; D49-L52 VanDerWaalsContact O-N 3.12Å; K50-L52 PolarHBondContact O-N 3.19Å; L52-R54 PolarHBondContact O-N 2.91Å; L52-Y57 HydrophobicContact CB-CD2 4.17Å; L52-Y57 HydrophobicContact CB-CE2 4.4Å; L52-Y57 HydrophobicContact CB-CG 4.38Å; L52-Y57 HydrophobicContact CD2-CD2 4.44Å; L52-Y57 HydrophobicContact CD2-CE1 4.3Å; L52-Y57 HydrophobicContact CD2-CE2 3.85Å; L52-Y57 WeakPolarHBondContact O-CB 3.44Å; L52-Y57 WeakPolarHBondContact O-CD2 3.42Å; L52-L347 HydrophobicContact CD1-CD2 3.55Å |
| 53 | H | 86.5 | Confident | 90.5 | Very high | 84 Ų | 84 | 45.2 Ų | 45.2 | 39% | 0.389 | 22% | 0.222 | S | C | . | . | trans | -75.8 | 70.6 | 177.4 | -72.1 | -172.6 | 0 | 0 | 0 | 111.1 | L46 V47 D49 K50 | L46-H53 PolarHBondContact O-CD2 3.2Å; L46-H53 PolarHBondContact O-NE2 3.48Å; V47-H53 PolarHBondContact O-NE2 3.36Å; D49-H53 PolarHBondContact O-CD2 3.3Å; K50-H53 WeakPolarHBondContact O-CB 3.47Å; K50-H53 PolarHBondContact O-N 3.37Å | ||
| 54 | R | 88.1 | Confident | 90.6 | Very high | 93 Ų | 93 | 44.4 Ų | 44.4 | 35% | 0.351 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -128.8 | 152.6 | 176.2 | -49.8 | -176 | -172.6 | -174.7 | 0.5 | 109.1 | L52 P56 Y57 Y58 | L52-R54 PolarHBondContact O-N 2.91Å; R54-P56 VanDerWaalsContact C-CD 3.43Å; R54-P56 HydrophobicContact CB-CG 4.3Å; R54-P56 VanDerWaalsContact O-N 3.15Å; R54-Y57 HydrophobicContact CB-CD2 4.04Å; R54-Y57 HydrophobicContact CG-CD2 4.47Å; R54-Y57 WeakPolarHBondContact O-CB 3.47Å; R54-Y57 PolarHBondContact O-N 3.43Å; R54-Y58 PolarHBondContact O-N 3.25Å |
| 55 | A | 90.3 | Very high | 90.9 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 7% | 0.066 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -41.8 | -49 | 179.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | Y57 Y58 F59 L134 C139 | A55-Y57 PolarHBondContact O-N 3.03Å; A55-Y58 PolarHBondContact O-N 3.14Å; A55-F59 PolarHBondContact O-N 3.46Å; A55-L134 HydrophobicContact CB-CD2 3.16Å; A55-L134 HydrophobicContact CB-CG 3.58Å; A55-C139 WeakPolarHBondContact CB-SG 3.38Å |
| 56 | P | 90.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.1 | -35.4 | 178.7 | 17.6 | -29.5 | 0 | 0 | 0 | 113.1 | R54 F59 L60 Y130 I284 F288 | R54-P56 VanDerWaalsContact C-CD 3.43Å; R54-P56 HydrophobicContact CB-CG 4.3Å; R54-P56 VanDerWaalsContact O-N 3.15Å; P56-F59 PolarHBondContact O-N 3.48Å; P56-L60 PolarHBondContact O-N 2.87Å; P56-L60 VanDerWaalsContact O-N 3.09Å; P56-Y130 WeakPolarHBondContact CD-OH 3.31Å; P56-I284 HydrophobicContact CB-CG2 3.77Å; P56-I284 HydrophobicContact CG-CD1 4.46Å; P56-I284 HydrophobicContact CG-CG2 4.06Å; P56-F288 HydrophobicContact CB-CE2 3.65Å; P56-F288 HydrophobicContact CB-CZ 4.15Å; P56-F288 VanDerWaalsContact O-CZ 3.23Å; P56-F288 WeakPolarHBondContact O-CZ 3.39Å |
| 57 | Y | 92.2 | Very high | 91.5 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 1% | 0.012 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -78 | -24.7 | -177.3 | -64.6 | -63.1 | 0 | 0 | 0 | 112.6 | L46 L52 R54 A55 L60 L61 I284 N344 E346 L347 | L46-Y57 HydrophobicContact CD2-CD1 3.74Å; L46-Y57 HydrophobicContact CD2-CG 4.17Å; L52-Y57 HydrophobicContact CB-CD2 4.17Å; L52-Y57 HydrophobicContact CB-CE2 4.4Å; L52-Y57 HydrophobicContact CB-CG 4.38Å; L52-Y57 HydrophobicContact CD2-CD2 4.44Å; L52-Y57 HydrophobicContact CD2-CE1 4.3Å; L52-Y57 HydrophobicContact CD2-CE2 3.85Å; L52-Y57 WeakPolarHBondContact O-CB 3.44Å; L52-Y57 WeakPolarHBondContact O-CD2 3.42Å; R54-Y57 HydrophobicContact CB-CD2 4.04Å; R54-Y57 HydrophobicContact CG-CD2 4.47Å; R54-Y57 WeakPolarHBondContact O-CB 3.47Å; R54-Y57 PolarHBondContact O-N 3.43Å; A55-Y57 PolarHBondContact O-N 3.03Å; Y57-L60 HydrophobicContact CD1-CD2 4.23Å; Y57-L60 PolarHBondContact O-N 2.8Å; Y57-L61 WeakPolarHBondContact O-CB 3.28Å; Y57-L61 PolarHBondContact O-N 2.94Å; Y57-I284 HydrophobicContact CE2-CD1 4.25Å; Y57-N344 PolarHBondContact OH-ND2 3.21Å; Y57-E346 PolarHBondContact OH-OE2 3.01Å; Y57-L347 HydrophobicContact CE1-CD1 4.5Å |
| 58 | Y | 95.1 | Very high | 91.8 | Very high | 54 Ų | 54 | 39.8 Ų | 39.8 | 21% | 0.212 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.4 | -40.4 | 169.7 | -60.4 | -43.4 | 0 | 0 | 0 | 111.9 | R54 A55 L61 D62 F136 C139 | R54-Y58 PolarHBondContact O-N 3.25Å; A55-Y58 PolarHBondContact O-N 3.14Å; Y58-L61 WeakPolarHBondContact O-CB 3.34Å; Y58-L61 PolarHBondContact O-N 2.93Å; Y58-D62 PolarHBondContact O-N 3.27Å; Y58-D62 VanDerWaalsContact O-N 3.08Å; Y58-F136 HydrophobicContact CD2-CD2 4.4Å; Y58-F136 HydrophobicContact CE1-CD2 4.38Å; Y58-F136 AromaticContact CE2-CD2 3.89Å; Y58-F136 HydrophobicContact CE2-CD2 3.89Å; Y58-F136 AromaticContact CZ-CD2 3.87Å; Y58-C139 HydrophobicContact CD2-CB 4.13Å |
| 59 | F | 96.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.9 | -36 | 173.8 | -59.5 | -33 | 0 | 0 | 0 | 112.7 | A55 P56 L61 D62 L63 M112 V116 T119 C139 V142 I143 | A55-F59 PolarHBondContact O-N 3.46Å; P56-F59 PolarHBondContact O-N 3.48Å; F59-L61 VanDerWaalsContact C-N 3.34Å; F59-D62 PolarHBondContact O-N 3.22Å; F59-L63 WeakPolarHBondContact O-CG 3.38Å; F59-L63 PolarHBondContact O-N 3.38Å; F59-M112 HydrophobicContact CB-CE 3.76Å; F59-M112 HydrophobicContact CB-SD 4.3Å; F59-M112 HydrophobicContact CD1-CE 3.32Å; F59-M112 HydrophobicContact CD1-SD 4.01Å; F59-M112 HydrophobicContact CD2-CE 4Å; F59-M112 HydrophobicContact CE1-CE 3.84Å; F59-M112 HydrophobicContact CE2-CE 4.41Å; F59-M112 HydrophobicContact CG-CE 3.43Å; F59-M112 VanDerWaalsContact CG-CE 3.43Å; F59-M112 HydrophobicContact CG-SD 4.36Å; F59-M112 HydrophobicContact CZ-CE 4.35Å; F59-V116 HydrophobicContact CB-CG2 3.68Å; F59-V116 HydrophobicContact CD2-CG2 3.91Å; F59-V116 HydrophobicContact CG-CG2 4.09Å; F59-T119 HydrophobicContact CE2-CG2 3.96Å; F59-C139 HydrophobicContact CE1-CB 4.02Å; F59-C139 HydrophobicContact CZ-CB 4.3Å; F59-V142 HydrophobicContact CE1-CB 4.18Å; F59-V142 HydrophobicContact CE1-CG1 3.93Å; F59-V142 HydrophobicContact CZ-CB 4.35Å; F59-V142 HydrophobicContact CZ-CG1 4.07Å; F59-I143 HydrophobicContact CD1-CD1 4.19Å; F59-I143 HydrophobicContact CD1-CG1 4Å; F59-I143 HydrophobicContact CE1-CD1 4.49Å; F59-I143 HydrophobicContact CE1-CG1 4.17Å |
| 60 | L | 95.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 172.5 | -178.7 | 61.7 | 0 | 0 | 0 | 111.9 | I42 L46 P56 Y57 D62 L63 C64 M287 F288 M291 | I42-L60 HydrophobicContact CG2-CD2 4.39Å; L46-L60 HydrophobicContact CD1-CB 4.18Å; L46-L60 HydrophobicContact CD1-CD2 3.88Å; L46-L60 HydrophobicContact CD1-CG 3.9Å; L46-L60 HydrophobicContact CD2-CD2 4.42Å; P56-L60 PolarHBondContact O-N 2.87Å; P56-L60 VanDerWaalsContact O-N 3.09Å; Y57-L60 HydrophobicContact CD1-CD2 4.23Å; Y57-L60 PolarHBondContact O-N 2.8Å; L60-D62 VanDerWaalsContact C-N 3.33Å; L60-L63 PolarHBondContact O-N 3.02Å; L60-C64 PolarHBondContact O-N 3.38Å; L60-C64 PolarHBondContact O-SG 2.81Å; L60-M287 HydrophobicContact CD2-CE 4.09Å; L60-F288 HydrophobicContact CB-CE1 4.24Å; L60-F288 HydrophobicContact CB-CZ 4.05Å; L60-F288 HydrophobicContact CD1-CE1 4.44Å; L60-M291 HydrophobicContact CD1-CE 3.58Å; L60-M291 HydrophobicContact CD1-SD 4.15Å |
| 61 | L | 95.8 | Very high | 93.2 | Very high | 50 Ų | 50 | 24.9 Ų | 24.9 | 26% | 0.262 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -61.4 | -43 | 176.7 | -177.1 | 65.9 | 0 | 0 | 0 | 111.3 | L46 V47 Y57 Y58 F59 C64 A65 | L46-L61 HydrophobicContact CB-CD1 4.48Å; L46-L61 HydrophobicContact CD1-CB 4.14Å; L46-L61 HydrophobicContact CD1-CD1 4.48Å; V47-L61 HydrophobicContact CG2-CD1 4.16Å; V47-L61 HydrophobicContact CG2-CD2 4.05Å; Y57-L61 WeakPolarHBondContact O-CB 3.28Å; Y57-L61 PolarHBondContact O-N 2.94Å; Y58-L61 WeakPolarHBondContact O-CB 3.34Å; Y58-L61 PolarHBondContact O-N 2.93Å; F59-L61 VanDerWaalsContact C-N 3.34Å; L61-C64 PolarHBondContact O-N 2.91Å; L61-A65 PolarHBondContact O-N 3.01Å |
| 62 | D | 97.4 | Very high | 94 | Very high | 16 Ų | 16 | 23.8 Ų | 23.8 | 9% | 0.086 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.8 | -41.5 | 175.7 | 177 | 81.1 | 0 | 0 | 0 | 112.6 | Y58 F59 L60 C64 A65 S66 H108 I143 W147 | Y58-D62 PolarHBondContact O-N 3.27Å; Y58-D62 VanDerWaalsContact O-N 3.08Å; F59-D62 PolarHBondContact O-N 3.22Å; L60-D62 VanDerWaalsContact C-N 3.33Å; D62-C64 VanDerWaalsContact C-N 3.34Å; D62-C64 PolarHBondContact O-N 3.41Å; D62-A65 WeakPolarHBondContact O-CB 3.49Å; D62-A65 PolarHBondContact O-N 2.93Å; D62-A65 VanDerWaalsContact O-N 3.15Å; D62-S66 PolarHBondContact O-N 3.3Å; D62-H108 IonicContact OD1-CE1 2.65Å; D62-H108 IonicContact OD1-NE2 3.93Å; D62-H108 IonicContact OD2-CD2 3.72Å; D62-H108 IonicContact OD2-CE1 3.65Å; D62-H108 PolarHBondContact OD2-CE1 3.47Å; D62-H108 VanDerWaalsContact OD2-CE1 3.27Å; D62-H108 IonicContact OD2-NE2 3.65Å; D62-H108 PolarHBondContact OD2-NE2 3.49Å; D62-I143 HydrophobicContact CB-CD1 4.14Å; D62-I143 HydrophobicContact CB-CG1 4.31Å; D62-I143 HydrophobicContact CB-CG2 4.46Å; D62-I143 WeakPolarHBondContact OD1-CG2 3.47Å; D62-W147 PolarHBondContact OD1-NE1 2.9Å |
| 63 | L | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.7 | -45.6 | 171.6 | -75.6 | 169.9 | 0 | 0 | 0 | 111.7 | F59 L60 A65 S66 D67 T109 M112 L113 M291 | F59-L63 WeakPolarHBondContact O-CG 3.38Å; F59-L63 PolarHBondContact O-N 3.38Å; L60-L63 PolarHBondContact O-N 3.02Å; L63-A65 VanDerWaalsContact C-N 3.34Å; L63-A65 PolarHBondContact O-N 2.93Å; L63-S66 PolarHBondContact O-N 3.44Å; L63-D67 PolarHBondContact O-N 2.97Å; L63-T109 HydrophobicContact CD2-CG2 3.98Å; L63-M112 HydrophobicContact CD2-CB 3.96Å; L63-M112 HydrophobicContact CD2-CG 3.87Å; L63-M112 HydrophobicContact CG-CG 3.89Å; L63-L113 HydrophobicContact CD1-CD2 4.23Å; L63-M291 HydrophobicContact CD1-CE 4.14Å |
| 64 | C | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.8 | -41 | 175.1 | -74.5 | 0 | 0 | 0 | 0 | 112 | N39 S43 L60 L61 D62 D67 I68 | N39-C64 HydrophobicContact CB-CB 4Å; N39-C64 PolarHBondContact OD1-SG 2.97Å; S43-C64 WeakPolarHBondContact OG-CB 3.02Å; L60-C64 PolarHBondContact O-N 3.38Å; L60-C64 PolarHBondContact O-SG 2.81Å; L61-C64 PolarHBondContact O-N 2.91Å; D62-C64 VanDerWaalsContact C-N 3.34Å; D62-C64 PolarHBondContact O-N 3.41Å; C64-D67 PolarHBondContact O-N 3.5Å; C64-I68 WeakPolarHBondContact O-CD1 3.17Å; C64-I68 WeakPolarHBondContact O-CG1 3.32Å; C64-I68 PolarHBondContact O-N 3.31Å |
| 65 | A | 96.5 | Very high | 95.4 | Very high | 50 Ų | 50 | 19 Ų | 19 | 41% | 0.413 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -62.9 | -43.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L61 D62 L63 I68 L69 | L61-A65 PolarHBondContact O-N 3.01Å; D62-A65 WeakPolarHBondContact O-CB 3.49Å; D62-A65 PolarHBondContact O-N 2.93Å; D62-A65 VanDerWaalsContact O-N 3.15Å; L63-A65 VanDerWaalsContact C-N 3.34Å; L63-A65 PolarHBondContact O-N 2.93Å; A65-I68 PolarHBondContact O-N 3.08Å; A65-L69 WeakPolarHBondContact O-CB 3.23Å; A65-L69 PolarHBondContact O-N 2.92Å |
| 66 | S | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.9 | -41.2 | 175.6 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | D62 L63 L69 R70 | D62-S66 PolarHBondContact O-N 3.3Å; L63-S66 PolarHBondContact O-N 3.44Å; S66-L69 WeakPolarHBondContact O-CB 3.21Å; S66-L69 PolarHBondContact O-N 3.07Å; S66-R70 PolarHBondContact O-N 3.4Å |
| 67 | D | 96.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69.2 | -34.9 | 176.5 | -83.3 | -41.9 | 0 | 0 | 0 | 112.8 | L63 C64 R70 S71 N336 | L63-D67 PolarHBondContact O-N 2.97Å; C64-D67 PolarHBondContact O-N 3.5Å; D67-R70 IonicContact OD1-CZ 3.74Å; D67-R70 IonicContact OD1-NE 2.67Å; D67-R70 IonicContact OD1-NH2 3.74Å; D67-R70 PolarHBondContact OD1-NH2 2.95Å; D67-S71 WeakPolarHBondContact O-CB 3.38Å; D67-S71 PolarHBondContact O-N 2.87Å; D67-S71 PolarHBondContact O-OG 2.89Å; D67-N336 PolarHBondContact OD2-ND2 3.18Å |
| 68 | I | 97.1 | Very high | 95.9 | Very high | 31 Ų | 31 | 23.6 Ų | 23.6 | 16% | 0.159 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63 | -46.8 | 170.9 | -68.4 | 159.1 | 0 | 0 | 0 | 109.8 | N39 L40 C64 A65 R70 S71 A72 | N39-I68 HydrophobicContact CB-CD1 3.97Å; N39-I68 HydrophobicContact CB-CG1 3.61Å; L40-I68 HydrophobicContact CB-CD1 4.5Å; L40-I68 HydrophobicContact CD2-CD1 3.72Å; L40-I68 HydrophobicContact CG-CD1 3.84Å; L40-I68 HydrophobicContact CG-CG1 4.28Å; C64-I68 WeakPolarHBondContact O-CD1 3.17Å; C64-I68 WeakPolarHBondContact O-CG1 3.32Å; C64-I68 PolarHBondContact O-N 3.31Å; A65-I68 PolarHBondContact O-N 3.08Å; I68-R70 VanDerWaalsContact C-N 3.33Å; I68-R70 PolarHBondContact O-N 3.25Å; I68-S71 PolarHBondContact O-N 3.17Å; I68-A72 HydrophobicContact CG2-CB 4.44Å; I68-A72 WeakPolarHBondContact O-CB 3.42Å; I68-A72 PolarHBondContact O-N 2.9Å |
| 69 | L | 95.6 | Very high | 95.9 | Very high | 50 Ų | 50 | 24.1 Ų | 24.1 | 26% | 0.262 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -53.9 | -51.1 | 177.6 | 178.9 | 71.2 | 0 | 0 | 0 | 110.6 | A65 S66 I73 W147 | A65-L69 WeakPolarHBondContact O-CB 3.23Å; A65-L69 PolarHBondContact O-N 2.92Å; S66-L69 WeakPolarHBondContact O-CB 3.21Å; S66-L69 PolarHBondContact O-N 3.07Å; L69-I73 HydrophobicContact CD1-CD1 3.45Å; L69-I73 VanDerWaalsContact CD1-CD1 3.45Å; L69-I73 HydrophobicContact CD1-CG1 4.26Å; L69-I73 VanDerWaalsContact O-CB 3.26Å; L69-I73 WeakPolarHBondContact O-CB 3.33Å; L69-I73 WeakPolarHBondContact O-CG1 3.41Å; L69-I73 PolarHBondContact O-N 2.86Å; L69-W147 HydrophobicContact CD2-CH2 4.12Å |
| 70 | R | 95.6 | Very high | 95.7 | Very high | 9 Ų | 9 | 25.7 Ų | 25.7 | 3% | 0.034 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -65.1 | -42.4 | 179 | -174.1 | 170 | 58.9 | 113 | -0.1 | 112.8 | S66 D67 I68 C74 F75 S329 A333 | S66-R70 PolarHBondContact O-N 3.4Å; D67-R70 IonicContact OD1-CZ 3.74Å; D67-R70 IonicContact OD1-NE 2.67Å; D67-R70 IonicContact OD1-NH2 3.74Å; D67-R70 PolarHBondContact OD1-NH2 2.95Å; I68-R70 VanDerWaalsContact C-N 3.33Å; I68-R70 PolarHBondContact O-N 3.25Å; R70-C74 HydrophobicContact CG-CB 4.37Å; R70-C74 WeakPolarHBondContact O-CA 3.3Å; R70-C74 WeakPolarHBondContact O-CB 3.46Å; R70-C74 PolarHBondContact O-N 3.46Å; R70-F75 HydrophobicContact CG-CE1 4.05Å; R70-F75 HydrophobicContact CG-CZ 4.13Å; R70-F75 PolarHBondContact O-N 3.05Å; R70-S329 PolarHBondContact NH1-O 3.14Å; R70-S329 VanDerWaalsContact NH1-O 3.08Å; R70-A333 VanDerWaalsContact NH2-CA 3.33Å |
| 71 | S | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -75.4 | -33.9 | -176 | -54.2 | 0 | 0 | 0 | 0 | 113.5 | D67 I68 P76 A333 | D67-S71 WeakPolarHBondContact O-CB 3.38Å; D67-S71 PolarHBondContact O-N 2.87Å; D67-S71 PolarHBondContact O-OG 2.89Å; I68-S71 PolarHBondContact O-N 3.17Å; S71-P76 WeakPolarHBondContact O-CD 3.45Å; S71-A333 WeakPolarHBondContact OG-CB 3.4Å |
| 72 | A | 96.3 | Very high | 95.4 | Very high | 48 Ų | 48 | 23.5 Ų | 23.5 | 40% | 0.397 | 14% | 0.137 | S | C | . | . | I | π-helix | trans | -88.4 | -25.8 | -178 | 0 | 0 | 0 | 0 | 0 | 112.6 | V36 I68 P76 | V36-A72 HydrophobicContact CG2-CB 4Å; I68-A72 HydrophobicContact CG2-CB 4.44Å; I68-A72 WeakPolarHBondContact O-CB 3.42Å; I68-A72 PolarHBondContact O-N 2.9Å; A72-P76 WeakPolarHBondContact O-CG 3.29Å |
| 73 | I | 95.1 | Very high | 95.1 | Very high | 67 Ų | 67 | 29.7 Ų | 29.7 | 34% | 0.344 | 16% | 0.162 | S | C | . | . | I | π-helix | trans | -105.7 | -60.6 | -179 | -52.6 | -170.4 | 0 | 0 | 0 | 111 | L69 P76 F77 I98 L101 | L69-I73 HydrophobicContact CD1-CD1 3.45Å; L69-I73 VanDerWaalsContact CD1-CD1 3.45Å; L69-I73 HydrophobicContact CD1-CG1 4.26Å; L69-I73 VanDerWaalsContact O-CB 3.26Å; L69-I73 WeakPolarHBondContact O-CB 3.33Å; L69-I73 WeakPolarHBondContact O-CG1 3.41Å; L69-I73 PolarHBondContact O-N 2.86Å; I73-P76 WeakPolarHBondContact O-CD 3.39Å; I73-F77 WeakPolarHBondContact O-CD2 3.31Å; I73-I98 HydrophobicContact CG2-CD1 4.06Å; I73-L101 HydrophobicContact CG2-CD1 4.01Å |
| 74 | C | 94.8 | Very high | 94.8 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 5% | 0.047 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -71.6 | -47.5 | -170.3 | -55.5 | 0 | 0 | 0 | 0 | 113.1 | R70 F77 V78 I98 | R70-C74 HydrophobicContact CG-CB 4.37Å; R70-C74 WeakPolarHBondContact O-CA 3.3Å; R70-C74 WeakPolarHBondContact O-CB 3.46Å; R70-C74 PolarHBondContact O-N 3.46Å; C74-F77 PolarHBondContact O-N 2.91Å; C74-F77 VanDerWaalsContact O-N 3.16Å; C74-V78 PolarHBondContact O-N 2.89Å; C74-I98 HydrophobicContact CB-CG2 4.29Å |
| 75 | F | 95.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 35.3 Ų | 35.3 | 2% | 0.018 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.7 | -33.6 | -174.6 | -66.2 | -16.7 | 0 | 0 | 0 | 115.2 | L28 I31 I32 R70 F77 V78 F79 F330 A333 | L28-F75 HydrophobicContact CD1-CB 4.31Å; L28-F75 HydrophobicContact CD1-CG 4.35Å; I31-F75 HydrophobicContact CG2-CD2 4.15Å; I31-F75 HydrophobicContact CG2-CE2 3.75Å; I32-F75 HydrophobicContact CD1-CB 3.82Å; I32-F75 HydrophobicContact CG1-CB 3.52Å; I32-F75 HydrophobicContact CG1-CD2 4.07Å; I32-F75 HydrophobicContact CG1-CG 4.3Å; R70-F75 HydrophobicContact CG-CE1 4.05Å; R70-F75 HydrophobicContact CG-CZ 4.13Å; R70-F75 PolarHBondContact O-N 3.05Å; F75-F77 VanDerWaalsContact C-N 3.3Å; F75-F77 PolarHBondContact O-N 3.48Å; F75-V78 WeakPolarHBondContact O-CB 3.44Å; F75-V78 PolarHBondContact O-N 3.41Å; F75-F79 WeakPolarHBondContact O-CB 3.42Å; F75-F79 PolarHBondContact O-N 3.41Å; F75-F330 HydrophobicContact CD1-CD1 4.4Å; F75-F330 HydrophobicContact CE1-CB 4.17Å; F75-F330 AromaticContact CE1-CD1 3.52Å; F75-F330 HydrophobicContact CE1-CD1 3.52Å; F75-F330 HydrophobicContact CE1-CE1 4.01Å; F75-F330 AromaticContact CE1-CG 3.86Å; F75-F330 HydrophobicContact CE1-CG 3.86Å; F75-F330 HydrophobicContact CZ-CB 3.9Å; F75-F330 HydrophobicContact CZ-CD1 4.01Å; F75-F330 HydrophobicContact CZ-CG 4.12Å; F75-A333 HydrophobicContact CE2-CB 3.76Å; F75-A333 HydrophobicContact CZ-CB 4.26Å |
| 76 | P | 95.9 | Very high | 93.7 | Very high | 49 Ų | 49 | 34.5 Ų | 34.5 | 32% | 0.318 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57.9 | -39.2 | 170.9 | -31.9 | 38.6 | 0 | 0 | 0 | 113.7 | S71 A72 I73 F79 T80 | S71-P76 WeakPolarHBondContact O-CD 3.45Å; A72-P76 WeakPolarHBondContact O-CG 3.29Å; I73-P76 WeakPolarHBondContact O-CD 3.39Å; P76-F79 WeakPolarHBondContact O-CB 3.43Å; P76-F79 PolarHBondContact O-N 3.28Å; P76-T80 WeakPolarHBondContact O-CG2 3.31Å; P76-T80 PolarHBondContact O-N 3.43Å; P76-T80 PolarHBondContact O-OG1 3.03Å |
| 77 | F | 94.7 | Very high | 93.3 | Very high | 54 Ų | 54 | 37.2 Ų | 37.2 | 24% | 0.237 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.1 | -41.4 | 174.8 | -73.2 | -81 | 0 | 0 | 0 | 111.6 | I73 C74 F75 F79 T80 S81 W88 Y90 T94 I98 | I73-F77 WeakPolarHBondContact O-CD2 3.31Å; C74-F77 PolarHBondContact O-N 2.91Å; C74-F77 VanDerWaalsContact O-N 3.16Å; F75-F77 VanDerWaalsContact C-N 3.3Å; F75-F77 PolarHBondContact O-N 3.48Å; F77-F79 VanDerWaalsContact C-N 3.31Å; F77-F79 PolarHBondContact O-N 3.36Å; F77-T80 WeakPolarHBondContact CA-OG1 3.21Å; F77-T80 PolarHBondContact O-N 3.49Å; F77-T80 PolarHBondContact O-OG1 3.18Å; F77-S81 WeakPolarHBondContact O-CB 3.24Å; F77-S81 PolarHBondContact O-N 3.32Å; F77-W88 HydrophobicContact CB-CH2 3.9Å; F77-W88 HydrophobicContact CB-CZ3 4.09Å; F77-W88 HydrophobicContact CD1-CH2 4.05Å; F77-W88 HydrophobicContact CG-CH2 4.2Å; F77-Y90 AromaticContact CD1-CD2 3.9Å; F77-Y90 HydrophobicContact CD1-CD2 3.9Å; F77-Y90 HydrophobicContact CD1-CE2 4.1Å; F77-Y90 HydrophobicContact CD1-CG 4.16Å; F77-Y90 HydrophobicContact CE1-CD1 4.15Å; F77-Y90 HydrophobicContact CE1-CD2 4.29Å; F77-Y90 HydrophobicContact CE1-CE1 4.42Å; F77-Y90 HydrophobicContact CE1-CG 4.09Å; F77-T94 HydrophobicContact CD1-CG2 4.34Å; F77-T94 HydrophobicContact CE1-CG2 3.79Å; F77-T94 HydrophobicContact CZ-CG2 4.14Å; F77-I98 HydrophobicContact CB-CG1 4.44Å; F77-I98 HydrophobicContact CB-CG2 4.49Å; F77-I98 HydrophobicContact CD2-CD1 3.35Å; F77-I98 HydrophobicContact CD2-CG1 3.76Å; F77-I98 HydrophobicContact CE2-CD1 3.54Å; F77-I98 HydrophobicContact CE2-CG1 4.16Å; F77-I98 HydrophobicContact CG-CD1 4.12Å; F77-I98 HydrophobicContact CG-CG1 4.02Å; F77-I98 HydrophobicContact CZ-CD1 4.41Å |
| 78 | V | 93.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.4 | -42.2 | 172.9 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | L28 C74 F75 T80 S81 V82 D171 Q172 F330 | L28-V78 HydrophobicContact CD2-CB 4.19Å; L28-V78 HydrophobicContact CD2-CG1 3.91Å; C74-V78 PolarHBondContact O-N 2.89Å; F75-V78 WeakPolarHBondContact O-CB 3.44Å; F75-V78 PolarHBondContact O-N 3.41Å; V78-T80 PolarHBondContact O-N 2.97Å; V78-S81 WeakPolarHBondContact O-CB 3.35Å; V78-S81 PolarHBondContact O-N 2.94Å; V78-V82 WeakPolarHBondContact O-CG2 3.5Å; V78-V82 PolarHBondContact O-N 2.9Å; V78-D171 HydrophobicContact CG1-CB 4.33Å; V78-Q172 HydrophobicContact CG2-CB 3.82Å; V78-F330 HydrophobicContact CG1-CE2 3.93Å; V78-F330 HydrophobicContact CG1-CZ 4.21Å; V78-F330 HydrophobicContact CG2-CZ 4.48Å |
| 79 | F | 94.7 | Very high | 92.5 | Very high | 65 Ų | 65 | 42 Ų | 42 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.2 | -45.1 | 177.4 | -176 | -82.2 | 0 | 0 | 0 | 111.9 | L25 L28 I32 F75 P76 F77 S81 V82 K83 | L25-F79 HydrophobicContact CB-CE2 4.13Å; L25-F79 HydrophobicContact CB-CZ 4.46Å; L25-F79 HydrophobicContact CD2-CD1 4.33Å; L25-F79 HydrophobicContact CD2-CD2 3.96Å; L25-F79 HydrophobicContact CD2-CE1 4.18Å; L25-F79 HydrophobicContact CD2-CE2 3.8Å; L25-F79 HydrophobicContact CD2-CG 4.22Å; L25-F79 HydrophobicContact CD2-CZ 3.91Å; L25-F79 WeakPolarHBondContact O-CE2 3.45Å; L28-F79 HydrophobicContact CD2-CB 3.77Å; L28-F79 HydrophobicContact CD2-CD2 4.21Å; L28-F79 HydrophobicContact CD2-CG 4.48Å; L28-F79 HydrophobicContact CG-CD2 4.4Å; I32-F79 HydrophobicContact CD1-CB 4.36Å; F75-F79 WeakPolarHBondContact O-CB 3.42Å; F75-F79 PolarHBondContact O-N 3.41Å; P76-F79 WeakPolarHBondContact O-CB 3.43Å; P76-F79 PolarHBondContact O-N 3.28Å; F77-F79 VanDerWaalsContact C-N 3.31Å; F77-F79 PolarHBondContact O-N 3.36Å; F79-S81 VanDerWaalsContact C-N 3.35Å; F79-V82 PolarHBondContact O-N 3.42Å; F79-K83 WeakPolarHBondContact O-CB 3.39Å; F79-K83 PolarHBondContact O-N 3.37Å |
| 80 | T | 93.5 | Very high | 92.1 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 20% | 0.202 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.3 | -34.9 | 176.4 | 58.2 | 0 | 0 | 0 | 0 | 113 | P76 F77 V78 K83 N84 Y90 | P76-T80 WeakPolarHBondContact O-CG2 3.31Å; P76-T80 PolarHBondContact O-N 3.43Å; P76-T80 PolarHBondContact O-OG1 3.03Å; F77-T80 WeakPolarHBondContact CA-OG1 3.21Å; F77-T80 PolarHBondContact O-N 3.49Å; F77-T80 PolarHBondContact O-OG1 3.18Å; V78-T80 PolarHBondContact O-N 2.97Å; T80-K83 PolarHBondContact O-N 3.29Å; T80-N84 WeakPolarHBondContact O-CB 3.39Å; T80-N84 VanDerWaalsContact O-CG 3.29Å; T80-N84 PolarHBondContact O-N 2.99Å; T80-N84 PolarHBondContact O-ND2 3.45Å; T80-Y90 WeakPolarHBondContact CB-OH 3.36Å; T80-Y90 WeakPolarHBondContact CG2-OH 3.24Å; T80-Y90 VanDerWaalsContact OG1-CE2 3.28Å; T80-Y90 WeakPolarHBondContact OG1-CE2 3.36Å; T80-Y90 PolarHBondContact OG1-OH 2.64Å |
| 81 | S | 92.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 174.3 | 170.1 | 0 | 0 | 0 | 0 | 111.4 | F77 V78 F79 K83 N84 S86 F166 D171 | F77-S81 WeakPolarHBondContact O-CB 3.24Å; F77-S81 PolarHBondContact O-N 3.32Å; V78-S81 WeakPolarHBondContact O-CB 3.35Å; V78-S81 PolarHBondContact O-N 2.94Å; F79-S81 VanDerWaalsContact C-N 3.35Å; S81-K83 VanDerWaalsContact C-N 3.34Å; S81-K83 PolarHBondContact O-N 2.8Å; S81-N84 PolarHBondContact O-N 2.92Å; S81-S86 WeakPolarHBondContact O-CA 3.41Å; S81-S86 PolarHBondContact O-N 2.89Å; S81-F166 VanDerWaalsContact OG-CE2 3.23Å; S81-F166 WeakPolarHBondContact OG-CE2 3.36Å; S81-F166 VanDerWaalsContact OG-CZ 3.29Å; S81-F166 WeakPolarHBondContact OG-CZ 3.37Å; S81-D171 WeakPolarHBondContact CB-O 3.23Å; S81-D171 PolarHBondContact OG-O 3.09Å |
| 82 | V | 91.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 175.4 | 176.3 | 0 | 0 | 0 | 0 | 111 | T21 K24 L25 V78 F79 N84 G85 D171 | T21-V82 HydrophobicContact CG2-CG1 4.12Å; K24-V82 HydrophobicContact CB-CG1 3.88Å; K24-V82 HydrophobicContact CD-CG1 4.27Å; L25-V82 HydrophobicContact CD2-CB 3.92Å; L25-V82 HydrophobicContact CD2-CG1 3.69Å; L25-V82 HydrophobicContact CG-CG1 3.9Å; V78-V82 WeakPolarHBondContact O-CG2 3.5Å; V78-V82 PolarHBondContact O-N 2.9Å; F79-V82 PolarHBondContact O-N 3.42Å; V82-N84 VanDerWaalsContact C-N 3.29Å; V82-N84 PolarHBondContact O-N 3.46Å; V82-G85 PolarHBondContact O-N 3.48Å; V82-D171 HydrophobicContact CG2-CB 3.61Å |
| 83 | K | 91.1 | Very high | 90.9 | Very high | 145 Ų | 145 | 55 Ų | 55 | 63% | 0.63 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.5 | -36.9 | 179 | -175.8 | -177.7 | 175.5 | -175.7 | 0 | 112.3 | L25 F79 T80 S81 G85 | L25-K83 HydrophobicContact CD2-CB 4.28Å; F79-K83 WeakPolarHBondContact O-CB 3.39Å; F79-K83 PolarHBondContact O-N 3.37Å; T80-K83 PolarHBondContact O-N 3.29Å; S81-K83 VanDerWaalsContact C-N 3.34Å; S81-K83 PolarHBondContact O-N 2.8Å; K83-G85 PolarHBondContact O-N 3.22Å |
| 84 | N | 89.3 | Confident | 90.6 | Very high | 67 Ų | 67 | 54.1 Ų | 54.1 | 36% | 0.358 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 22.4 | -179 | -65.2 | -14.7 | 0 | 0 | 0 | 113.1 | T80 S81 V82 T87 | T80-N84 WeakPolarHBondContact O-CB 3.39Å; T80-N84 VanDerWaalsContact O-CG 3.29Å; T80-N84 PolarHBondContact O-N 2.99Å; T80-N84 PolarHBondContact O-ND2 3.45Å; S81-N84 PolarHBondContact O-N 2.92Å; V82-N84 VanDerWaalsContact C-N 3.29Å; V82-N84 PolarHBondContact O-N 3.46Å; N84-T87 PolarHBondContact O-OG1 3.09Å |
| 85 | G | 85.4 | Confident | 90.4 | Very high | 53 Ų | 53 | 54.1 Ų | 54.1 | 55% | 0.546 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 36.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V82 K83 | V82-G85 PolarHBondContact O-N 3.48Å; K83-G85 PolarHBondContact O-N 3.22Å |
| 86 | S | 86.4 | Confident | 90.1 | Very high | 32 Ų | 32 | 58.3 Ų | 58.3 | 22% | 0.224 | 33% | 0.325 | C | S | . | . | S | Bend | trans | 63 | 42.3 | -179.3 | -28.2 | 0 | 0 | 0 | 0 | 112 | S81 F166 D171 | S81-S86 WeakPolarHBondContact O-CA 3.41Å; S81-S86 PolarHBondContact O-N 2.89Å; S86-F166 WeakPolarHBondContact O-CE1 3.06Å; S86-F166 WeakPolarHBondContact O-CZ 3.24Å; S86-D171 WeakPolarHBondContact CB-OD1 3.45Å; S86-D171 PolarHBondContact OG-OD1 3.22Å |
| 87 | T | 86.8 | Confident | 89.8 | Confident | 57 Ų | 57 | 59.3 Ų | 59.3 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | trans | -121.5 | 138.6 | 178 | 65 | 0 | 0 | 0 | 0 | 111.4 | N84 | N84-T87 PolarHBondContact O-OG1 3.09Š| ||
| 88 | W | 88.8 | Confident | 89.8 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 17% | 0.174 | 32% | 0.321 | C | S | . | . | trans | -95.5 | 111.5 | 179.6 | -171.8 | -92.4 | 0 | 0 | 0 | 111.6 | F77 Y90 G91 T94 C95 I98 F166 C173 | F77-W88 HydrophobicContact CB-CH2 3.9Å; F77-W88 HydrophobicContact CB-CZ3 4.09Å; F77-W88 HydrophobicContact CD1-CH2 4.05Å; F77-W88 HydrophobicContact CG-CH2 4.2Å; W88-Y90 HydrophobicContact CZ2-CD2 4.44Å; W88-G91 PolarHBondContact NE1-O 3.35Å; W88-T94 HydrophobicContact CZ2-CG2 3.98Å; W88-C95 HydrophobicContact CD2-CB 4.31Å; W88-C95 VanDerWaalsContact CZ2-CA 3.46Å; W88-C95 HydrophobicContact CZ2-CB 3.91Å; W88-I98 HydrophobicContact CH2-CB 4.36Å; W88-I98 HydrophobicContact CH2-CG1 4.22Å; W88-F166 HydrophobicContact CB-CB 4.12Å; W88-F166 HydrophobicContact CB-CD1 4Å; W88-F166 HydrophobicContact CB-CD2 3.87Å; W88-F166 HydrophobicContact CB-CE1 4.38Å; W88-F166 HydrophobicContact CB-CE2 4.28Å; W88-F166 HydrophobicContact CB-CG 3.71Å; W88-F166 HydrophobicContact CD2-CD2 4.32Å; W88-F166 AromaticContact CE3-CD2 3.86Å; W88-F166 HydrophobicContact CE3-CD2 3.86Å; W88-F166 HydrophobicContact CE3-CE2 4.12Å; W88-F166 HydrophobicContact CG-CD2 4.36Å; W88-F166 HydrophobicContact CG-CG 4.42Å; W88-C173 VanDerWaalsContact CD2-SG 3.6Å; W88-C173 VanDerWaalsContact CE3-SG 3.53Å | ||
| 89 | T | 88.9 | Confident | 89.6 | Confident | 86 Ų | 86 | 57 Ų | 57 | 53% | 0.528 | 32% | 0.321 | S | S | . | . | trans | -103.8 | -10.3 | -174.1 | 54.9 | 0 | 0 | 0 | 0 | 114.4 | G91 | T89-G91 VanDerWaalsContact C-N 3.34Å; T89-G91 PolarHBondContact O-N 2.93Å | ||
| 90 | Y | 86.6 | Confident | 89.5 | Confident | 98 Ų | 98 | 55.9 Ų | 55.9 | 38% | 0.384 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -89.2 | 12.8 | -170.3 | -60.8 | -81.4 | 0 | 0 | 0 | 115.3 | F77 T80 W88 T94 | F77-Y90 AromaticContact CD1-CD2 3.9Å; F77-Y90 HydrophobicContact CD1-CD2 3.9Å; F77-Y90 HydrophobicContact CD1-CE2 4.1Å; F77-Y90 HydrophobicContact CD1-CG 4.16Å; F77-Y90 HydrophobicContact CE1-CD1 4.15Å; F77-Y90 HydrophobicContact CE1-CD2 4.29Å; F77-Y90 HydrophobicContact CE1-CE1 4.42Å; F77-Y90 HydrophobicContact CE1-CG 4.09Å; T80-Y90 WeakPolarHBondContact CB-OH 3.36Å; T80-Y90 WeakPolarHBondContact CG2-OH 3.24Å; T80-Y90 VanDerWaalsContact OG1-CE2 3.28Å; T80-Y90 WeakPolarHBondContact OG1-CE2 3.36Å; T80-Y90 PolarHBondContact OG1-OH 2.64Å; W88-Y90 HydrophobicContact CZ2-CD2 4.44Å; Y90-T94 VanDerWaalsContact O-CB 3.29Å; Y90-T94 WeakPolarHBondContact O-CB 3.43Å; Y90-T94 PolarHBondContact O-OG1 3.4Å |
| 91 | G | 88.2 | Confident | 89.5 | Confident | 41 Ų | 41 | 55.7 Ų | 55.7 | 42% | 0.423 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | 77.8 | 167.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | W88 T89 C95 | W88-G91 PolarHBondContact NE1-O 3.35Å; T89-G91 VanDerWaalsContact C-N 3.34Å; T89-G91 PolarHBondContact O-N 2.93Å; G91-C95 PolarHBondContact O-N 3.49Å |
| 92 | T | 86.6 | Confident | 89.5 | Confident | 115 Ų | 115 | 56.8 Ų | 56.8 | 71% | 0.706 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -72.3 | -36.5 | -171.4 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | C95 K96 | T92-C95 WeakPolarHBondContact O-CB 3.45Å; T92-C95 PolarHBondContact O-N 3.06Å; T92-K96 WeakPolarHBondContact O-CG 3.49Å; T92-K96 PolarHBondContact O-N 2.91Å; T92-K96 VanDerWaalsContact O-N 3.09Å |
| 93 | L | 88.2 | Confident | 89.4 | Confident | 128 Ų | 128 | 57.9 Ų | 57.9 | 67% | 0.67 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.1 | -48.6 | 178.2 | 180 | 63.1 | 0 | 0 | 0 | 111.3 | C95 K96 V97 | L93-C95 VanDerWaalsContact C-N 3.28Å; L93-C95 PolarHBondContact O-N 3.35Å; L93-K96 PolarHBondContact O-N 2.82Å; L93-K96 VanDerWaalsContact O-N 3.16Å; L93-V97 HydrophobicContact CD1-CG2 4.45Å; L93-V97 WeakPolarHBondContact O-CG2 3.43Å; L93-V97 PolarHBondContact O-N 3.13Å |
| 94 | T | 90.6 | Very high | 89.5 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 29% | 0.288 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.1 | -40.3 | 178.2 | -45.3 | 0 | 0 | 0 | 0 | 111.1 | F77 W88 Y90 K96 V97 I98 | F77-T94 HydrophobicContact CD1-CG2 4.34Å; F77-T94 HydrophobicContact CE1-CG2 3.79Å; F77-T94 HydrophobicContact CZ-CG2 4.14Å; W88-T94 HydrophobicContact CZ2-CG2 3.98Å; Y90-T94 VanDerWaalsContact O-CB 3.29Å; Y90-T94 WeakPolarHBondContact O-CB 3.43Å; Y90-T94 PolarHBondContact O-OG1 3.4Å; T94-K96 PolarHBondContact O-N 2.89Å; T94-V97 PolarHBondContact O-N 3.45Å; T94-I98 HydrophobicContact CG2-CG1 4.34Å; T94-I98 VanDerWaalsContact O-CG1 3.3Å; T94-I98 WeakPolarHBondContact O-CG1 3.43Å; T94-I98 PolarHBondContact O-N 2.9Å |
| 95 | C | 90.4 | Very high | 89.7 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 5% | 0.054 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 176.4 | -172.4 | 0 | 0 | 0 | 0 | 111.8 | W88 G91 T92 L93 I98 A99 C173 | W88-C95 HydrophobicContact CD2-CB 4.31Å; W88-C95 VanDerWaalsContact CZ2-CA 3.46Å; W88-C95 HydrophobicContact CZ2-CB 3.91Å; G91-C95 PolarHBondContact O-N 3.49Å; T92-C95 WeakPolarHBondContact O-CB 3.45Å; T92-C95 PolarHBondContact O-N 3.06Å; L93-C95 VanDerWaalsContact C-N 3.28Å; L93-C95 PolarHBondContact O-N 3.35Å; C95-I98 PolarHBondContact O-N 3.23Å; C95-A99 VanDerWaalsContact O-CB 3.31Å; C95-A99 WeakPolarHBondContact O-CB 3.31Å; C95-A99 PolarHBondContact O-N 3.41Å; C95-C173 WeakPolarHBondContact CA-SG 3.34Å; C95-C173 HydrophobicContact CB-CB 4.06Å; C95-C173 WeakPolarHBondContact CB-SG 3.33Å; C95-C173 VanDerWaalsContact O-CB 3.25Å; C95-C173 WeakPolarHBondContact O-CB 3.23Å; C95-C173 WeakPolarHBondContact SG-CB 3.32Å; C95-C173 CovalentContact SG-SG 2.03Å; C95-C173 PolarHBondContact SG-SG 2.65Å |
| 96 | K | 88.4 | Confident | 90.1 | Very high | 91 Ų | 91 | 46.1 Ų | 46.1 | 40% | 0.396 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 177.5 | -69.4 | -178.3 | 178.1 | -173.7 | 0 | 112.2 | T92 L93 T94 A99 F100 | T92-K96 WeakPolarHBondContact O-CG 3.49Å; T92-K96 PolarHBondContact O-N 2.91Å; T92-K96 VanDerWaalsContact O-N 3.09Å; L93-K96 PolarHBondContact O-N 2.82Å; L93-K96 VanDerWaalsContact O-N 3.16Å; T94-K96 PolarHBondContact O-N 2.89Å; K96-A99 PolarHBondContact O-N 3.16Å; K96-F100 VanDerWaalsContact O-CB 3.31Å; K96-F100 WeakPolarHBondContact O-CB 3.1Å; K96-F100 PolarHBondContact O-N 3.38Å |
| 97 | V | 90.7 | Very high | 90.4 | Very high | 70 Ų | 70 | 45 Ų | 45 | 42% | 0.424 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 178.6 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | L93 T94 F100 L101 | L93-V97 HydrophobicContact CD1-CG2 4.45Å; L93-V97 WeakPolarHBondContact O-CG2 3.43Å; L93-V97 PolarHBondContact O-N 3.13Å; T94-V97 PolarHBondContact O-N 3.45Å; V97-F100 PolarHBondContact O-N 2.83Å; V97-L101 HydrophobicContact CG1-CD1 4.12Å; V97-L101 HydrophobicContact CG1-CG 4.47Å; V97-L101 WeakPolarHBondContact O-CG 3.37Å; V97-L101 PolarHBondContact O-N 3.38Å |
| 98 | I | 92.9 | Very high | 90.9 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.2 | -40 | 178.6 | -64.7 | -57 | 0 | 0 | 0 | 111.6 | I73 C74 F77 W88 T94 C95 L101 G102 | I73-I98 HydrophobicContact CG2-CD1 4.06Å; C74-I98 HydrophobicContact CB-CG2 4.29Å; F77-I98 HydrophobicContact CB-CG1 4.44Å; F77-I98 HydrophobicContact CB-CG2 4.49Å; F77-I98 HydrophobicContact CD2-CD1 3.35Å; F77-I98 HydrophobicContact CD2-CG1 3.76Å; F77-I98 HydrophobicContact CE2-CD1 3.54Å; F77-I98 HydrophobicContact CE2-CG1 4.16Å; F77-I98 HydrophobicContact CG-CD1 4.12Å; F77-I98 HydrophobicContact CG-CG1 4.02Å; F77-I98 HydrophobicContact CZ-CD1 4.41Å; W88-I98 HydrophobicContact CH2-CB 4.36Å; W88-I98 HydrophobicContact CH2-CG1 4.22Å; T94-I98 HydrophobicContact CG2-CG1 4.34Å; T94-I98 VanDerWaalsContact O-CG1 3.3Å; T94-I98 WeakPolarHBondContact O-CG1 3.43Å; T94-I98 PolarHBondContact O-N 2.9Å; C95-I98 PolarHBondContact O-N 3.23Å; I98-L101 HydrophobicContact CD1-CD1 4.46Å; I98-L101 PolarHBondContact O-N 3.43Å; I98-G102 PolarHBondContact O-N 3.07Å |
| 99 | A | 90.5 | Very high | 91.2 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62 | -45.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C95 K96 G102 V103 Y164 C173 | C95-A99 VanDerWaalsContact O-CB 3.31Å; C95-A99 WeakPolarHBondContact O-CB 3.31Å; C95-A99 PolarHBondContact O-N 3.41Å; K96-A99 PolarHBondContact O-N 3.16Å; A99-G102 PolarHBondContact O-N 3.37Å; A99-V103 WeakPolarHBondContact O-CG2 3.06Å; A99-V103 PolarHBondContact O-N 3.09Å; A99-Y164 HydrophobicContact CB-CD1 3.4Å; A99-Y164 VanDerWaalsContact CB-CD1 3.4Å; A99-Y164 HydrophobicContact CB-CD2 4.24Å; A99-Y164 HydrophobicContact CB-CE1 3.94Å; A99-Y164 HydrophobicContact CB-CG 3.58Å; A99-C173 WeakPolarHBondContact CA-O 3.44Å; A99-C173 HydrophobicContact CB-CB 4.05Å; A99-C173 WeakPolarHBondContact CB-O 3.33Å |
| 100 | F | 91.5 | Very high | 91.5 | Very high | 41 Ų | 41 | 36.3 Ų | 36.3 | 18% | 0.18 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.2 | -49.1 | 175.4 | 171.3 | -96.2 | 0 | 0 | 0 | 111.7 | K96 V97 G102 V103 L104 A154 V158 Y164 | K96-F100 VanDerWaalsContact O-CB 3.31Å; K96-F100 WeakPolarHBondContact O-CB 3.1Å; K96-F100 PolarHBondContact O-N 3.38Å; V97-F100 PolarHBondContact O-N 2.83Å; F100-G102 VanDerWaalsContact C-N 3.33Å; F100-G102 PolarHBondContact O-N 3.43Å; F100-V103 PolarHBondContact O-N 3.38Å; F100-L104 HydrophobicContact CE1-CD2 3.96Å; F100-L104 HydrophobicContact CZ-CD2 4.33Å; F100-L104 WeakPolarHBondContact O-CB 3.35Å; F100-L104 PolarHBondContact O-N 2.88Å; F100-A154 HydrophobicContact CD2-CB 3.77Å; F100-A154 WeakPolarHBondContact CD2-O 3.22Å; F100-A154 HydrophobicContact CE2-CB 3.51Å; F100-A154 HydrophobicContact CZ-CB 4.28Å; F100-V158 HydrophobicContact CB-CG2 4.48Å; F100-V158 HydrophobicContact CD2-CG2 3.71Å; F100-V158 HydrophobicContact CE2-CG2 4.42Å; F100-V158 HydrophobicContact CG-CG2 4.42Å; F100-Y164 HydrophobicContact CB-CE2 4.2Å |
| 101 | L | 93.6 | Very high | 92 | Very high | 29 Ų | 29 | 32.7 Ų | 32.7 | 15% | 0.152 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 178.1 | -72.4 | 174.7 | 0 | 0 | 0 | 112.1 | I73 V97 I98 L104 S105 | I73-L101 HydrophobicContact CG2-CD1 4.01Å; V97-L101 HydrophobicContact CG1-CD1 4.12Å; V97-L101 HydrophobicContact CG1-CG 4.47Å; V97-L101 WeakPolarHBondContact O-CG 3.37Å; V97-L101 PolarHBondContact O-N 3.38Å; I98-L101 HydrophobicContact CD1-CD1 4.46Å; I98-L101 PolarHBondContact O-N 3.43Å; L101-L104 HydrophobicContact CD2-CD2 4.34Å; L101-S105 WeakPolarHBondContact O-CB 3.47Å; L101-S105 PolarHBondContact O-N 2.81Å; L101-S105 PolarHBondContact O-OG 2.92Å |
| 102 | G | 92.2 | Very high | 92.4 | Very high | 24 Ų | 24 | 30.8 Ų | 30.8 | 25% | 0.247 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I98 A99 F100 C106 | I98-G102 PolarHBondContact O-N 3.07Å; A99-G102 PolarHBondContact O-N 3.37Å; F100-G102 VanDerWaalsContact C-N 3.33Å; F100-G102 PolarHBondContact O-N 3.43Å; G102-C106 PolarHBondContact O-N 3.32Å; G102-C106 VanDerWaalsContact O-N 3.13Å |
| 103 | V | 90.1 | Very high | 92.9 | Very high | 26 Ų | 26 | 25.5 Ų | 25.5 | 16% | 0.158 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.4 | -43.4 | 178 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | A99 F100 S105 C106 F107 A154 Y164 | A99-V103 WeakPolarHBondContact O-CG2 3.06Å; A99-V103 PolarHBondContact O-N 3.09Å; F100-V103 PolarHBondContact O-N 3.38Å; V103-S105 PolarHBondContact O-N 3.4Å; V103-C106 WeakPolarHBondContact O-CB 3.31Å; V103-C106 PolarHBondContact O-N 3.05Å; V103-F107 HydrophobicContact CG1-CD2 3.61Å; V103-F107 HydrophobicContact CG1-CE2 3.64Å; V103-F107 WeakPolarHBondContact O-CD2 3.23Å; V103-F107 PolarHBondContact O-N 3.29Å; V103-A154 HydrophobicContact CG1-CB 4.14Å; V103-Y164 HydrophobicContact CG2-CE1 3.94Å |
| 104 | L | 93.5 | Very high | 93.3 | Very high | 9 Ų | 9 | 22.6 Ų | 22.6 | 5% | 0.047 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -55.3 | -51.9 | 175.3 | 176.6 | 68.2 | 0 | 0 | 0 | 111.1 | F100 L101 C106 F107 H108 W147 S150 V151 A154 | F100-L104 HydrophobicContact CE1-CD2 3.96Å; F100-L104 HydrophobicContact CZ-CD2 4.33Å; F100-L104 WeakPolarHBondContact O-CB 3.35Å; F100-L104 PolarHBondContact O-N 2.88Å; L101-L104 HydrophobicContact CD2-CD2 4.34Å; L104-C106 VanDerWaalsContact C-N 3.29Å; L104-C106 PolarHBondContact O-N 2.74Å; L104-F107 PolarHBondContact O-N 3.47Å; L104-H108 WeakPolarHBondContact O-CB 3.03Å; L104-H108 PolarHBondContact O-N 2.72Å; L104-W147 HydrophobicContact CD2-CZ3 4.06Å; L104-W147 HydrophobicContact CG-CZ3 4.33Å; L104-S150 VanDerWaalsContact CD1-C 3.45Å; L104-V151 HydrophobicContact CD1-CB 4.33Å; L104-V151 HydrophobicContact CD1-CG2 3.64Å; L104-A154 HydrophobicContact CB-CB 4.09Å; L104-A154 HydrophobicContact CD1-CB 4.4Å |
| 105 | S | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.3 | -36.5 | 178.8 | -70.8 | 0 | 0 | 0 | 0 | 112.5 | L101 V103 T109 | L101-S105 WeakPolarHBondContact O-CB 3.47Å; L101-S105 PolarHBondContact O-N 2.81Å; L101-S105 PolarHBondContact O-OG 2.92Å; V103-S105 PolarHBondContact O-N 3.4Å; S105-T109 WeakPolarHBondContact O-CB 3.32Å; S105-T109 PolarHBondContact O-N 2.91Å; S105-T109 PolarHBondContact O-OG1 3.37Å |
| 106 | C | 92.8 | Very high | 93.9 | Very high | 9 Ų | 9 | 20.8 Ų | 20.8 | 6% | 0.061 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -63.5 | -54.9 | 176.9 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | G102 V103 L104 H108 T109 A110 W299 | G102-C106 PolarHBondContact O-N 3.32Å; G102-C106 VanDerWaalsContact O-N 3.13Å; V103-C106 WeakPolarHBondContact O-CB 3.31Å; V103-C106 PolarHBondContact O-N 3.05Å; L104-C106 VanDerWaalsContact C-N 3.29Å; L104-C106 PolarHBondContact O-N 2.74Å; C106-H108 VanDerWaalsContact C-N 3.34Å; C106-H108 PolarHBondContact O-N 3.26Å; C106-T109 PolarHBondContact O-N 3.45Å; C106-A110 PolarHBondContact O-N 3.02Å; C106-W299 HydrophobicContact CB-CH2 3.77Å; C106-W299 HydrophobicContact CB-CZ2 4.24Å; C106-W299 HydrophobicContact CB-CZ3 4.26Å; C106-W299 WeakPolarHBondContact SG-CH2 3.34Å; C106-W299 WeakPolarHBondContact SG-CZ3 3.43Å |
| 107 | F | 93.3 | Very high | 94.3 | Very high | 10 Ų | 10 | 16.5 Ų | 16.5 | 4% | 0.044 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.8 | -40.8 | 178.4 | -82.1 | -71.1 | 0 | 0 | 0 | 112.1 | V103 L104 T109 A110 F111 M153 F188 L192 | V103-F107 HydrophobicContact CG1-CD2 3.61Å; V103-F107 HydrophobicContact CG1-CE2 3.64Å; V103-F107 WeakPolarHBondContact O-CD2 3.23Å; V103-F107 PolarHBondContact O-N 3.29Å; L104-F107 PolarHBondContact O-N 3.47Å; F107-T109 VanDerWaalsContact C-N 3.32Å; F107-T109 PolarHBondContact O-N 3.14Å; F107-A110 PolarHBondContact O-N 3.25Å; F107-F111 HydrophobicContact CB-CD2 4.28Å; F107-F111 HydrophobicContact CB-CE2 4.2Å; F107-F111 HydrophobicContact CD1-CE2 4.21Å; F107-F111 WeakPolarHBondContact O-CB 3.15Å; F107-F111 WeakPolarHBondContact O-CD2 3.48Å; F107-F111 PolarHBondContact O-N 3.16Å; F107-M153 HydrophobicContact CD1-CB 4.25Å; F107-M153 HydrophobicContact CD2-CB 4.16Å; F107-M153 HydrophobicContact CE1-CB 4.49Å; F107-M153 HydrophobicContact CE2-CB 4.4Å; F107-M153 HydrophobicContact CG-CB 4.09Å; F107-F188 HydrophobicContact CZ-CB 4.36Å; F107-F188 HydrophobicContact CZ-CD1 4.42Å; F107-L192 HydrophobicContact CD1-CD1 4.27Å; F107-L192 HydrophobicContact CE1-CB 3.86Å; F107-L192 HydrophobicContact CE1-CD1 4.2Å; F107-L192 HydrophobicContact CE1-CG 4.47Å; F107-L192 HydrophobicContact CZ-CB 4.25Å |
| 108 | H | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -55.5 | -48.4 | 175.1 | -177.4 | 80.7 | 0 | 0 | 0 | 111.7 | D62 L104 C106 A110 F111 M112 W147 S150 | D62-H108 IonicContact OD1-CE1 2.65Å; D62-H108 IonicContact OD1-NE2 3.93Å; D62-H108 IonicContact OD2-CD2 3.72Å; D62-H108 IonicContact OD2-CE1 3.65Å; D62-H108 PolarHBondContact OD2-CE1 3.47Å; D62-H108 VanDerWaalsContact OD2-CE1 3.27Å; D62-H108 IonicContact OD2-NE2 3.65Å; D62-H108 PolarHBondContact OD2-NE2 3.49Å; L104-H108 WeakPolarHBondContact O-CB 3.03Å; L104-H108 PolarHBondContact O-N 2.72Å; C106-H108 VanDerWaalsContact C-N 3.34Å; C106-H108 PolarHBondContact O-N 3.26Å; H108-A110 PolarHBondContact O-N 2.96Å; H108-F111 PolarHBondContact O-N 3.06Å; H108-M112 WeakPolarHBondContact O-CB 3.21Å; H108-M112 PolarHBondContact O-N 3.43Å; H108-W147 AromaticContact CE1-CD1 3.51Å; H108-W147 AromaticContact CE1-CD2 3.63Å; H108-W147 AromaticContact CE1-CE2 3.3Å; H108-W147 AromaticContact CE1-CG 3.77Å; H108-W147 AromaticContact CE1-CZ2 3.84Å; H108-W147 AromaticContact CE1-NE1 3.2Å; H108-W147 PolarHBondContact CE1-NE1 2.79Å; H108-W147 AromaticContact ND1-CD2 3.58Å; H108-W147 AromaticContact ND1-CE2 3.68Å; H108-W147 AromaticContact ND1-CE3 3.96Å; H108-W147 AromaticContact ND1-CG 3.85Å; H108-W147 AromaticContact ND1-NE1 3.95Å; H108-W147 AromaticContact NE2-CE2 3.87Å; H108-W147 AromaticContact NE2-CZ2 3.98Å; H108-W147 AromaticContact NE2-NE1 3.86Å; H108-S150 WeakPolarHBondContact CA-OG 3.03Å; H108-S150 PolarHBondContact N-OG 3.25Å |
| 109 | T | 96.1 | Very high | 94.6 | Very high | 6 Ų | 6 | 15.5 Ų | 15.5 | 4% | 0.037 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -63.4 | -43.8 | 179 | -54.4 | 0 | 0 | 0 | 0 | 111 | L63 S105 C106 F107 M112 L113 F295 | L63-T109 HydrophobicContact CD2-CG2 3.98Å; S105-T109 WeakPolarHBondContact O-CB 3.32Å; S105-T109 PolarHBondContact O-N 2.91Å; S105-T109 PolarHBondContact O-OG1 3.37Å; C106-T109 PolarHBondContact O-N 3.45Å; F107-T109 VanDerWaalsContact C-N 3.32Å; F107-T109 PolarHBondContact O-N 3.14Å; T109-M112 PolarHBondContact O-N 2.82Å; T109-L113 HydrophobicContact CG2-CD1 4.07Å; T109-L113 HydrophobicContact CG2-CG 4.4Å; T109-L113 WeakPolarHBondContact O-CB 3.46Å; T109-L113 VanDerWaalsContact O-CG 3.22Å; T109-L113 WeakPolarHBondContact O-CG 3.45Å; T109-L113 PolarHBondContact O-N 2.88Å; T109-F295 HydrophobicContact CG2-CD2 3.64Å; T109-F295 HydrophobicContact CG2-CE2 3.43Å; T109-F295 VanDerWaalsContact CG2-CE2 3.43Å; T109-F295 HydrophobicContact CG2-CZ 4.46Å |
| 110 | A | 95.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.8 | -48.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | C106 F107 H108 L113 F114 L192 I195 L196 F295 | C106-A110 PolarHBondContact O-N 3.02Å; F107-A110 PolarHBondContact O-N 3.25Å; H108-A110 PolarHBondContact O-N 2.96Å; A110-L113 PolarHBondContact O-N 3.47Å; A110-F114 PolarHBondContact O-N 3.47Å; A110-L192 HydrophobicContact CB-CD1 3.75Å; A110-I195 HydrophobicContact CB-CG2 4.22Å; A110-L196 HydrophobicContact CB-CD2 4.3Å; A110-F295 HydrophobicContact CB-CZ 4.4Å |
| 111 | F | 96.8 | Very high | 94.9 | Very high | 22 Ų | 22 | 15.1 Ų | 15.1 | 10% | 0.096 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.2 | -39.1 | 177 | -75.7 | -54.4 | 0 | 0 | 0 | 112.5 | F107 H108 F114 C115 V146 L149 M153 I195 | F107-F111 HydrophobicContact CB-CD2 4.28Å; F107-F111 HydrophobicContact CB-CE2 4.2Å; F107-F111 HydrophobicContact CD1-CE2 4.21Å; F107-F111 WeakPolarHBondContact O-CB 3.15Å; F107-F111 WeakPolarHBondContact O-CD2 3.48Å; F107-F111 PolarHBondContact O-N 3.16Å; H108-F111 PolarHBondContact O-N 3.06Å; F111-F114 WeakPolarHBondContact O-CB 3.18Å; F111-F114 PolarHBondContact O-N 3.45Å; F111-C115 PolarHBondContact O-N 3.01Å; F111-C115 PolarHBondContact O-SG 3.32Å; F111-C115 VanDerWaalsContact O-SG 3.32Å; F111-V146 HydrophobicContact CB-CG1 3.73Å; F111-V146 HydrophobicContact CB-CG2 4.37Å; F111-L149 HydrophobicContact CD2-CB 4.24Å; F111-L149 HydrophobicContact CE2-CB 4.08Å; F111-L149 HydrophobicContact CZ-CB 4.42Å; F111-M153 HydrophobicContact CE2-CG 3.96Å; F111-M153 HydrophobicContact CZ-CG 4.07Å; F111-I195 HydrophobicContact CD1-CD1 3.81Å; F111-I195 HydrophobicContact CD1-CG1 4.34Å; F111-I195 HydrophobicContact CD1-CG2 4.33Å; F111-I195 HydrophobicContact CE1-CD1 3.14Å; F111-I195 HydrophobicContact CE1-CG1 3.87Å; F111-I195 HydrophobicContact CE2-CD1 4.32Å; F111-I195 HydrophobicContact CZ-CD1 3.44Å; F111-I195 VanDerWaalsContact CZ-CD1 3.44Å |
| 112 | M | 97.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.5 | -44.2 | 176.6 | -168.4 | 65.7 | -98.4 | 0 | 0 | 110.7 | F59 L63 H108 T109 F114 C115 V116 V142 I143 V146 | F59-M112 HydrophobicContact CB-CE 3.76Å; F59-M112 HydrophobicContact CB-SD 4.3Å; F59-M112 HydrophobicContact CD1-CE 3.32Å; F59-M112 HydrophobicContact CD1-SD 4.01Å; F59-M112 HydrophobicContact CD2-CE 4Å; F59-M112 HydrophobicContact CE1-CE 3.84Å; F59-M112 HydrophobicContact CE2-CE 4.41Å; F59-M112 HydrophobicContact CG-CE 3.43Å; F59-M112 VanDerWaalsContact CG-CE 3.43Å; F59-M112 HydrophobicContact CG-SD 4.36Å; F59-M112 HydrophobicContact CZ-CE 4.35Å; L63-M112 HydrophobicContact CD2-CB 3.96Å; L63-M112 HydrophobicContact CD2-CG 3.87Å; L63-M112 HydrophobicContact CG-CG 3.89Å; H108-M112 WeakPolarHBondContact O-CB 3.21Å; H108-M112 PolarHBondContact O-N 3.43Å; T109-M112 PolarHBondContact O-N 2.82Å; M112-F114 VanDerWaalsContact C-N 3.31Å; M112-F114 PolarHBondContact O-N 2.97Å; M112-C115 HydrophobicContact CE-CB 3.79Å; M112-C115 PolarHBondContact O-N 3.27Å; M112-V116 HydrophobicContact CE-CG2 3.84Å; M112-V116 WeakPolarHBondContact O-CB 3.25Å; M112-V116 VanDerWaalsContact O-CG2 3.25Å; M112-V116 WeakPolarHBondContact O-CG2 3.5Å; M112-V116 PolarHBondContact O-N 3.18Å; M112-V142 HydrophobicContact CE-CG1 4.36Å; M112-I143 HydrophobicContact SD-CG1 4.44Å; M112-V146 HydrophobicContact CB-CG1 4.19Å |
| 113 | L | 95.9 | Very high | 94.9 | Very high | 5 Ų | 5 | 14.9 Ų | 14.9 | 3% | 0.026 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.4 | -38.4 | 175.1 | -71.4 | 174.4 | 0 | 0 | 0 | 112.2 | L63 T109 A110 V116 S117 F295 | L63-L113 HydrophobicContact CD1-CD2 4.23Å; T109-L113 HydrophobicContact CG2-CD1 4.07Å; T109-L113 HydrophobicContact CG2-CG 4.4Å; T109-L113 WeakPolarHBondContact O-CB 3.46Å; T109-L113 VanDerWaalsContact O-CG 3.22Å; T109-L113 WeakPolarHBondContact O-CG 3.45Å; T109-L113 PolarHBondContact O-N 2.88Å; A110-L113 PolarHBondContact O-N 3.47Å; L113-V116 PolarHBondContact O-N 3.41Å; L113-S117 WeakPolarHBondContact O-CB 3.45Å; L113-S117 PolarHBondContact O-N 2.9Å; L113-F295 HydrophobicContact CD1-CB 3.64Å; L113-F295 HydrophobicContact CD1-CD1 4.11Å; L113-F295 HydrophobicContact CD1-CD2 3.74Å; L113-F295 HydrophobicContact CD1-CE2 4.45Å; L113-F295 HydrophobicContact CD1-CG 3.53Å |
| 114 | F | 97 | Very high | 94.9 | Very high | 66 Ų | 66 | 14.2 Ų | 14.2 | 29% | 0.289 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -59.9 | -52.3 | 171.7 | 176.8 | -106.1 | 0 | 0 | 0 | 111.6 | A110 F111 M112 V116 S117 V118 I195 A198 T199 V202 | A110-F114 PolarHBondContact O-N 3.47Å; F111-F114 WeakPolarHBondContact O-CB 3.18Å; F111-F114 PolarHBondContact O-N 3.45Å; M112-F114 VanDerWaalsContact C-N 3.31Å; M112-F114 PolarHBondContact O-N 2.97Å; F114-V116 VanDerWaalsContact C-N 3.3Å; F114-V116 PolarHBondContact O-N 3.39Å; F114-S117 WeakPolarHBondContact O-CB 3.32Å; F114-S117 PolarHBondContact O-N 3.11Å; F114-S117 PolarHBondContact O-OG 3.3Å; F114-V118 HydrophobicContact CE1-CG2 4.19Å; F114-V118 HydrophobicContact CE2-CG2 4.22Å; F114-V118 HydrophobicContact CZ-CG2 3.96Å; F114-V118 PolarHBondContact O-N 2.9Å; F114-V118 VanDerWaalsContact O-N 3.09Å; F114-I195 HydrophobicContact CB-CG2 4.27Å; F114-A198 HydrophobicContact CD2-CB 4.35Å; F114-A198 HydrophobicContact CE2-CB 4.03Å; F114-T199 WeakPolarHBondContact CA-OG1 3.5Å; F114-T199 WeakPolarHBondContact CB-OG1 3.35Å; F114-V202 HydrophobicContact CE2-CG2 4.12Å |
| 115 | C | 97.1 | Very high | 94.8 | Very high | 17 Ų | 17 | 14.6 Ų | 14.6 | 12% | 0.115 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.3 | -36.6 | 179.3 | -68.5 | 0 | 0 | 0 | 0 | 112.5 | F111 M112 T119 V142 | F111-C115 PolarHBondContact O-N 3.01Å; F111-C115 PolarHBondContact O-SG 3.32Å; F111-C115 VanDerWaalsContact O-SG 3.32Å; M112-C115 HydrophobicContact CE-CB 3.79Å; M112-C115 PolarHBondContact O-N 3.27Å; C115-T119 WeakPolarHBondContact O-CB 3.4Å; C115-T119 PolarHBondContact O-N 3.43Å; C115-T119 PolarHBondContact O-OG1 2.9Å; C115-V142 HydrophobicContact CB-CG1 3.98Å |
| 116 | V | 96 | Very high | 94.5 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61 | -47.2 | 171.7 | 167.7 | 0 | 0 | 0 | 0 | 110.3 | F59 M112 L113 F114 V118 T119 R120 F288 | F59-V116 HydrophobicContact CB-CG2 3.68Å; F59-V116 HydrophobicContact CD2-CG2 3.91Å; F59-V116 HydrophobicContact CG-CG2 4.09Å; M112-V116 HydrophobicContact CE-CG2 3.84Å; M112-V116 WeakPolarHBondContact O-CB 3.25Å; M112-V116 VanDerWaalsContact O-CG2 3.25Å; M112-V116 WeakPolarHBondContact O-CG2 3.5Å; M112-V116 PolarHBondContact O-N 3.18Å; L113-V116 PolarHBondContact O-N 3.41Å; F114-V116 VanDerWaalsContact C-N 3.3Å; F114-V116 PolarHBondContact O-N 3.39Å; V116-V118 VanDerWaalsContact C-N 3.34Å; V116-V118 PolarHBondContact O-N 3.1Å; V116-T119 PolarHBondContact O-N 2.92Å; V116-T119 VanDerWaalsContact O-N 3.13Å; V116-R120 HydrophobicContact CG1-CG 4.15Å; V116-R120 VanDerWaalsContact O-CG 3.31Å; V116-R120 WeakPolarHBondContact O-CG 3.43Å; V116-R120 PolarHBondContact O-N 2.65Å; V116-F288 HydrophobicContact CG1-CB 3.72Å; V116-F288 HydrophobicContact CG1-CD1 3.47Å; V116-F288 VanDerWaalsContact CG1-CD1 3.47Å; V116-F288 HydrophobicContact CG1-CD2 4.16Å; V116-F288 HydrophobicContact CG1-CE1 4.07Å; V116-F288 HydrophobicContact CG1-CG 3.51Å |
| 117 | S | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58 | -45.5 | -179.9 | 80 | 0 | 0 | 0 | 0 | 112 | L113 F114 T119 R120 Y121 V202 | L113-S117 WeakPolarHBondContact O-CB 3.45Å; L113-S117 PolarHBondContact O-N 2.9Å; F114-S117 WeakPolarHBondContact O-CB 3.32Å; F114-S117 PolarHBondContact O-N 3.11Å; F114-S117 PolarHBondContact O-OG 3.3Å; S117-T119 VanDerWaalsContact C-N 3.35Å; S117-T119 PolarHBondContact O-N 3.2Å; S117-R120 PolarHBondContact O-N 2.96Å; S117-Y121 PolarHBondContact O-N 3.3Å; S117-V202 WeakPolarHBondContact OG-CG1 3.32Å |
| 118 | V | 95.9 | Very high | 94 | Very high | 49 Ų | 49 | 31.5 Ų | 31.5 | 30% | 0.297 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 176 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | F114 V116 R120 Y121 L122 V202 | F114-V118 HydrophobicContact CE1-CG2 4.19Å; F114-V118 HydrophobicContact CE2-CG2 4.22Å; F114-V118 HydrophobicContact CZ-CG2 3.96Å; F114-V118 PolarHBondContact O-N 2.9Å; F114-V118 VanDerWaalsContact O-N 3.09Å; V116-V118 VanDerWaalsContact C-N 3.34Å; V116-V118 PolarHBondContact O-N 3.1Å; V118-R120 PolarHBondContact O-N 2.87Å; V118-Y121 WeakPolarHBondContact O-CB 3.36Å; V118-Y121 PolarHBondContact O-N 3.4Å; V118-L122 HydrophobicContact CG1-CD1 4.16Å; V118-L122 HydrophobicContact CG1-CG 4.43Å; V118-L122 WeakPolarHBondContact O-CG 3.47Å; V118-L122 PolarHBondContact O-N 3.43Å; V118-V202 HydrophobicContact CG2-CG1 4.34Å; V118-V202 HydrophobicContact CG2-CG2 4.36Å |
| 119 | T | 94.8 | Very high | 93.7 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 7% | 0.067 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 179.6 | -60.8 | 0 | 0 | 0 | 0 | 112.3 | F59 C115 V116 S117 Y121 L122 A123 Y130 L134 | F59-T119 HydrophobicContact CE2-CG2 3.96Å; C115-T119 WeakPolarHBondContact O-CB 3.4Å; C115-T119 PolarHBondContact O-N 3.43Å; C115-T119 PolarHBondContact O-OG1 2.9Å; V116-T119 PolarHBondContact O-N 2.92Å; V116-T119 VanDerWaalsContact O-N 3.13Å; S117-T119 VanDerWaalsContact C-N 3.35Å; S117-T119 PolarHBondContact O-N 3.2Å; T119-Y121 VanDerWaalsContact C-N 3.35Å; T119-L122 PolarHBondContact O-N 3.23Å; T119-A123 WeakPolarHBondContact O-CB 3.41Å; T119-A123 PolarHBondContact O-N 2.93Å; T119-Y130 HydrophobicContact CG2-CD2 4.31Å; T119-Y130 HydrophobicContact CG2-CE2 3.79Å; T119-L134 HydrophobicContact CG2-CD1 4.38Å; T119-L134 HydrophobicContact CG2-CD2 3.4Å; T119-L134 VanDerWaalsContact CG2-CD2 3.4Å |
| 120 | R | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.7 | -39.1 | 174.7 | -66.1 | -55.3 | 84.4 | -158.4 | -1.7 | 111.4 | V116 S117 V118 A123 I124 Y130 L206 E281 F288 | V116-R120 HydrophobicContact CG1-CG 4.15Å; V116-R120 VanDerWaalsContact O-CG 3.31Å; V116-R120 WeakPolarHBondContact O-CG 3.43Å; V116-R120 PolarHBondContact O-N 2.65Å; S117-R120 PolarHBondContact O-N 2.96Å; V118-R120 PolarHBondContact O-N 2.87Å; R120-A123 PolarHBondContact O-N 3.45Å; R120-I124 PolarHBondContact O-N 3.15Å; R120-Y130 PolarHBondContact NH2-OH 3.39Å; R120-L206 HydrophobicContact CB-CD2 4.33Å; R120-E281 IonicContact CZ-OE2 3.89Å; R120-E281 IonicContact NH1-OE2 2.81Å; R120-E281 PolarHBondContact NH1-OE2 3Å; R120-E281 IonicContact NH2-OE2 3.86Å; R120-F288 HydrophobicContact CG-CB 4.46Å; R120-F288 HydrophobicContact CG-CD2 4.44Å |
| 121 | Y | 93.8 | Very high | 93 | Very high | 34 Ų | 34 | 40.9 Ų | 40.9 | 13% | 0.133 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.2 | -47.6 | 172.5 | 175.1 | -100.7 | 0 | 0 | 0 | 111.7 | S117 V118 T119 A123 I124 A125 K205 L206 | S117-Y121 PolarHBondContact O-N 3.3Å; V118-Y121 WeakPolarHBondContact O-CB 3.36Å; V118-Y121 PolarHBondContact O-N 3.4Å; T119-Y121 VanDerWaalsContact C-N 3.35Å; Y121-A123 VanDerWaalsContact C-N 3.34Å; Y121-A123 PolarHBondContact O-N 2.94Å; Y121-I124 PolarHBondContact O-N 2.9Å; Y121-A125 HydrophobicContact CD2-CB 4.2Å; Y121-A125 HydrophobicContact CE1-CB 4.21Å; Y121-A125 HydrophobicContact CE2-CB 3.79Å; Y121-A125 VanDerWaalsContact O-CB 3.26Å; Y121-A125 WeakPolarHBondContact O-CB 3.27Å; Y121-A125 PolarHBondContact O-N 3.22Å; Y121-K205 HydrophobicContact CD2-CD 4.49Å; Y121-K205 HydrophobicContact CE2-CD 3.86Å; Y121-K205 HydrophobicContact CE2-CG 4.05Å; Y121-K205 WeakPolarHBondContact OH-CE 3.42Å; Y121-K205 PolarHBondContact OH-NZ 3.33Å; Y121-K205 VanDerWaalsContact OH-NZ 3.11Å; Y121-L206 HydrophobicContact CD2-CB 4.22Å; Y121-L206 HydrophobicContact CD2-CD1 4.27Å |
| 122 | L | 93.5 | Very high | 92.7 | Very high | 47 Ų | 47 | 48.1 Ų | 48.1 | 25% | 0.246 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 176.7 | -67.6 | 174.8 | 0 | 0 | 0 | 112.3 | V118 T119 I124 H126 H127 F129 | V118-L122 HydrophobicContact CG1-CD1 4.16Å; V118-L122 HydrophobicContact CG1-CG 4.43Å; V118-L122 WeakPolarHBondContact O-CG 3.47Å; V118-L122 PolarHBondContact O-N 3.43Å; T119-L122 PolarHBondContact O-N 3.23Å; L122-I124 VanDerWaalsContact C-N 3.3Å; L122-I124 PolarHBondContact O-N 2.95Å; L122-H126 HydrophobicContact CD2-CB 4.42Å; L122-H126 CarbonylContact O-C 2.98Å; L122-H126 VanDerWaalsContact O-CA 3.28Å; L122-H126 WeakPolarHBondContact O-CA 3.32Å; L122-H126 PolarHBondContact O-N 2.78Å; L122-H127 PolarHBondContact O-N 3.2Å; L122-F129 HydrophobicContact CD1-CE1 4.36Å; L122-F129 HydrophobicContact CD2-CD1 4.47Å |
| 123 | A | 91.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.7 | -39.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | T119 R120 Y121 H127 Y130 | T119-A123 WeakPolarHBondContact O-CB 3.41Å; T119-A123 PolarHBondContact O-N 2.93Å; R120-A123 PolarHBondContact O-N 3.45Å; Y121-A123 VanDerWaalsContact C-N 3.34Å; Y121-A123 PolarHBondContact O-N 2.94Å; A123-H127 WeakPolarHBondContact O-CB 3.47Å; A123-Y130 HydrophobicContact CB-CD1 4.27Å; A123-Y130 HydrophobicContact CB-CD2 3.61Å; A123-Y130 HydrophobicContact CB-CE1 4.27Å; A123-Y130 HydrophobicContact CB-CE2 3.57Å; A123-Y130 HydrophobicContact CB-CG 3.97Å |
| 124 | I | 91.1 | Very high | 92.3 | Very high | 13 Ų | 13 | 57.6 Ų | 57.6 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -89.8 | -44.5 | -176.3 | -69.2 | 173 | 0 | 0 | 0 | 112.1 | R120 Y121 L122 L206 F209 V210 F278 K282 S285 | R120-I124 PolarHBondContact O-N 3.15Å; Y121-I124 PolarHBondContact O-N 2.9Å; L122-I124 VanDerWaalsContact C-N 3.3Å; L122-I124 PolarHBondContact O-N 2.95Å; I124-L206 HydrophobicContact CB-CD1 3.85Å; I124-L206 HydrophobicContact CD1-CD1 3.82Å; I124-L206 HydrophobicContact CD1-CD2 4.31Å; I124-L206 HydrophobicContact CG1-CD1 4.38Å; I124-L206 HydrophobicContact CG2-CD1 3.9Å; I124-F209 HydrophobicContact CG2-CD1 4.12Å; I124-F209 HydrophobicContact CG2-CE1 4.1Å; I124-V210 HydrophobicContact CG2-CG2 3.78Å; I124-F278 HydrophobicContact CG2-CE2 4.26Å; I124-K282 HydrophobicContact CD1-CG 4.39Å; I124-S285 VanDerWaalsContact CD1-OG 3.24Å; I124-S285 WeakPolarHBondContact CD1-OG 3.33Å |
| 125 | A | 89.9 | Confident | 92.1 | Very high | 17 Ų | 17 | 57.6 Ų | 57.6 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -85 | -34.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y121 F209 | Y121-A125 HydrophobicContact CD2-CB 4.2Å; Y121-A125 HydrophobicContact CE1-CB 4.21Å; Y121-A125 HydrophobicContact CE2-CB 3.79Å; Y121-A125 VanDerWaalsContact O-CB 3.26Å; Y121-A125 WeakPolarHBondContact O-CB 3.27Å; Y121-A125 PolarHBondContact O-N 3.22Å; A125-F209 VanDerWaalsContact CA-CE1 3.49Å; A125-F209 HydrophobicContact CB-CD1 4.08Å; A125-F209 HydrophobicContact CB-CD2 4.39Å; A125-F209 HydrophobicContact CB-CE1 3.75Å; A125-F209 HydrophobicContact CB-CE2 4.06Å; A125-F209 HydrophobicContact CB-CG 4.39Å; A125-F209 HydrophobicContact CB-CZ 3.73Å |
| 126 | H | 89.4 | Confident | 91.8 | Very high | 97 Ų | 97 | 61.8 Ų | 61.8 | 45% | 0.449 | 28% | 0.284 | S | S | . | . | trans | -130.3 | 51.2 | -174.7 | -62.7 | -73.6 | 0 | 0 | 0 | 111.5 | L122 R128 F129 Y130 | L122-H126 HydrophobicContact CD2-CB 4.42Å; L122-H126 CarbonylContact O-C 2.98Å; L122-H126 VanDerWaalsContact O-CA 3.28Å; L122-H126 WeakPolarHBondContact O-CA 3.32Å; L122-H126 PolarHBondContact O-N 2.78Å; H126-R128 VanDerWaalsContact C-N 3.27Å; H126-R128 PolarHBondContact O-N 3.4Å; H126-R128 VanDerWaalsContact O-N 3.1Å; H126-F129 HydrophobicContact CB-CB 4.18Å; H126-F129 WeakPolarHBondContact O-CB 3.47Å; H126-F129 PolarHBondContact O-N 2.86Å; H126-Y130 PolarHBondContact O-N 3.35Å | ||
| 127 | H | 87.7 | Confident | 91.8 | Very high | 60 Ų | 60 | 70.6 Ų | 70.6 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -50.8 | -39.9 | -173.4 | -178.3 | 71.4 | 0 | 0 | 0 | 114.3 | L122 A123 F129 Y130 T131 E277 | L122-H127 PolarHBondContact O-N 3.2Å; A123-H127 WeakPolarHBondContact O-CB 3.47Å; H127-F129 VanDerWaalsContact C-N 3.33Å; H127-F129 PolarHBondContact O-N 3.43Å; H127-Y130 WeakPolarHBondContact O-CB 3.39Å; H127-Y130 PolarHBondContact O-N 2.95Å; H127-T131 WeakPolarHBondContact O-CG2 3.31Å; H127-T131 PolarHBondContact O-N 3.18Å; H127-T131 PolarHBondContact O-OG1 2.9Å; H127-T131 VanDerWaalsContact O-OG1 3.11Å; H127-E277 IonicContact CE1-OE1 3.27Å |
| 128 | R | 86.6 | Confident | 91.7 | Very high | 217 Ų | 217 | 73.1 Ų | 73.1 | 82% | 0.819 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.4 | -34.9 | 177.6 | -62.2 | -175.4 | -166 | 175 | 4.4 | 113.3 | H126 T131 K132 | H126-R128 VanDerWaalsContact C-N 3.27Å; H126-R128 PolarHBondContact O-N 3.4Å; H126-R128 VanDerWaalsContact O-N 3.1Å; R128-T131 PolarHBondContact O-OG1 2.87Å; R128-K132 WeakPolarHBondContact O-CG 3.48Å; R128-K132 PolarHBondContact O-N 3.34Å |
| 129 | F | 90.2 | Very high | 91.7 | Very high | 110 Ų | 110 | 70.9 Ų | 70.9 | 48% | 0.482 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -72.9 | -45.6 | 176.6 | 178.5 | -91 | 0 | 0 | 0 | 109.8 | L122 H126 H127 T131 K132 R133 | L122-F129 HydrophobicContact CD1-CE1 4.36Å; L122-F129 HydrophobicContact CD2-CD1 4.47Å; H126-F129 HydrophobicContact CB-CB 4.18Å; H126-F129 WeakPolarHBondContact O-CB 3.47Å; H126-F129 PolarHBondContact O-N 2.86Å; H127-F129 VanDerWaalsContact C-N 3.33Å; H127-F129 PolarHBondContact O-N 3.43Å; F129-T131 PolarHBondContact O-N 3.22Å; F129-K132 PolarHBondContact O-N 3.38Å; F129-R133 HydrophobicContact CD1-CB 4.4Å; F129-R133 HydrophobicContact CD1-CG 4.35Å; F129-R133 HydrophobicContact CD2-CG 3.92Å; F129-R133 HydrophobicContact CE1-CB 4.11Å; F129-R133 HydrophobicContact CE1-CG 4.11Å; F129-R133 HydrophobicContact CE2-CG 3.67Å; F129-R133 HydrophobicContact CG-CG 4.26Å; F129-R133 HydrophobicContact CZ-CB 4.18Å; F129-R133 HydrophobicContact CZ-CG 3.77Å; F129-R133 WeakPolarHBondContact O-CB 3.44Å; F129-R133 PolarHBondContact O-N 3.4Å |
| 130 | Y | 91.2 | Very high | 91.8 | Very high | 20 Ų | 20 | 73.7 Ų | 73.7 | 8% | 0.078 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -53.7 | -52.5 | 176.5 | 172.5 | -90.4 | 0 | 0 | 0 | 112.1 | P56 T119 R120 A123 H126 H127 K132 R133 L134 | P56-Y130 WeakPolarHBondContact CD-OH 3.31Å; T119-Y130 HydrophobicContact CG2-CD2 4.31Å; T119-Y130 HydrophobicContact CG2-CE2 3.79Å; R120-Y130 PolarHBondContact NH2-OH 3.39Å; A123-Y130 HydrophobicContact CB-CD1 4.27Å; A123-Y130 HydrophobicContact CB-CD2 3.61Å; A123-Y130 HydrophobicContact CB-CE1 4.27Å; A123-Y130 HydrophobicContact CB-CE2 3.57Å; A123-Y130 HydrophobicContact CB-CG 3.97Å; H126-Y130 PolarHBondContact O-N 3.35Å; H127-Y130 WeakPolarHBondContact O-CB 3.39Å; H127-Y130 PolarHBondContact O-N 2.95Å; Y130-K132 VanDerWaalsContact C-N 3.3Å; Y130-K132 PolarHBondContact O-N 2.96Å; Y130-R133 PolarHBondContact O-N 3.46Å; Y130-L134 HydrophobicContact CD2-CB 4.26Å; Y130-L134 HydrophobicContact CD2-CD2 3.49Å; Y130-L134 VanDerWaalsContact CD2-CD2 3.49Å; Y130-L134 HydrophobicContact CE2-CB 4.42Å; Y130-L134 HydrophobicContact CE2-CD2 3.01Å; Y130-L134 HydrophobicContact CE2-CG 4.33Å; Y130-L134 HydrophobicContact CG-CD2 4.46Å; Y130-L134 WeakPolarHBondContact O-CB 3.19Å; Y130-L134 PolarHBondContact O-N 2.9Å |
| 131 | T | 87.1 | Confident | 91.9 | Very high | 73 Ų | 73 | 76.5 Ų | 76.5 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.1 | -29.8 | -177.4 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | H127 R128 F129 | H127-T131 WeakPolarHBondContact O-CG2 3.31Å; H127-T131 PolarHBondContact O-N 3.18Å; H127-T131 PolarHBondContact O-OG1 2.9Å; H127-T131 VanDerWaalsContact O-OG1 3.11Å; R128-T131 PolarHBondContact O-OG1 2.87Å; F129-T131 PolarHBondContact O-N 3.22Å |
| 132 | K | 89.9 | Confident | 92 | Very high | 173 Ų | 173 | 76.3 Ų | 76.3 | 75% | 0.752 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -84 | -34.5 | 178.5 | -72.7 | -171.1 | 175.4 | -168.5 | 0 | 113.9 | R128 F129 Y130 | R128-K132 WeakPolarHBondContact O-CG 3.48Å; R128-K132 PolarHBondContact O-N 3.34Å; F129-K132 PolarHBondContact O-N 3.38Å; Y130-K132 VanDerWaalsContact C-N 3.3Å; Y130-K132 PolarHBondContact O-N 2.96Å |
| 133 | R | 91.6 | Very high | 92.2 | Very high | 166 Ų | 166 | 75.3 Ų | 75.3 | 63% | 0.626 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -103 | -27.2 | -169.3 | -66.6 | -66.6 | -167 | 169.9 | 1.5 | 113.7 | F129 Y130 T135 T138 | F129-R133 HydrophobicContact CD1-CB 4.4Å; F129-R133 HydrophobicContact CD1-CG 4.35Å; F129-R133 HydrophobicContact CD2-CG 3.92Å; F129-R133 HydrophobicContact CE1-CB 4.11Å; F129-R133 HydrophobicContact CE1-CG 4.11Å; F129-R133 HydrophobicContact CE2-CG 3.67Å; F129-R133 HydrophobicContact CG-CG 4.26Å; F129-R133 HydrophobicContact CZ-CB 4.18Å; F129-R133 HydrophobicContact CZ-CG 3.77Å; F129-R133 WeakPolarHBondContact O-CB 3.44Å; F129-R133 PolarHBondContact O-N 3.4Å; Y130-R133 PolarHBondContact O-N 3.46Å; R133-T135 VanDerWaalsContact C-N 3.31Å; R133-T135 PolarHBondContact O-N 3.01Å; R133-T138 WeakPolarHBondContact O-CB 3.34Å; R133-T138 PolarHBondContact O-OG1 3.14Å |
| 134 | L | 91.8 | Very high | 92.5 | Very high | 38 Ų | 38 | 78.4 Ų | 78.4 | 20% | 0.199 | 38% | 0.375 | C | S | . | . | trans | -89.3 | 73.2 | -175.3 | -158.7 | 72.9 | 0 | 0 | 0 | 110.9 | A55 T119 Y130 T138 | A55-L134 HydrophobicContact CB-CD2 3.16Å; A55-L134 HydrophobicContact CB-CG 3.58Å; T119-L134 HydrophobicContact CG2-CD1 4.38Å; T119-L134 HydrophobicContact CG2-CD2 3.4Å; T119-L134 VanDerWaalsContact CG2-CD2 3.4Å; Y130-L134 HydrophobicContact CD2-CB 4.26Å; Y130-L134 HydrophobicContact CD2-CD2 3.49Å; Y130-L134 VanDerWaalsContact CD2-CD2 3.49Å; Y130-L134 HydrophobicContact CE2-CB 4.42Å; Y130-L134 HydrophobicContact CE2-CD2 3.01Å; Y130-L134 HydrophobicContact CE2-CG 4.33Å; Y130-L134 HydrophobicContact CG-CD2 4.46Å; Y130-L134 WeakPolarHBondContact O-CB 3.19Å; Y130-L134 PolarHBondContact O-N 2.9Å; L134-T138 HydrophobicContact CD1-CG2 4.39Å | ||
| 135 | T | 93.3 | Very high | 92.8 | Very high | 66 Ų | 66 | 81.7 Ų | 81.7 | 41% | 0.405 | 39% | 0.391 | S | S | . | . | trans | -87.3 | 173 | 174.8 | 71.8 | 0 | 0 | 0 | 0 | 110.7 | R133 W137 T138 C139 | R133-T135 VanDerWaalsContact C-N 3.31Å; R133-T135 PolarHBondContact O-N 3.01Å; T135-W137 VanDerWaalsContact C-N 3.32Å; T135-W137 PolarHBondContact O-N 3.4Å; T135-W137 PolarHBondContact OG1-N 3.4Å; T135-T138 PolarHBondContact O-N 3.44Å; T135-T138 PolarHBondContact OG1-N 2.82Å; T135-T138 PolarHBondContact OG1-OG1 2.98Å; T135-T138 VanDerWaalsContact OG1-OG1 3.09Å; T135-C139 PolarHBondContact O-N 2.94Å; T135-C139 PolarHBondContact O-SG 3.33Å | ||
| 136 | F | 91.8 | Very high | 93.2 | Very high | 106 Ų | 106 | 80.9 Ų | 80.9 | 47% | 0.465 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -53.8 | -47.6 | 172.5 | 174.2 | -100.9 | 0 | 0 | 0 | 112.2 | Y58 T138 C139 L140 | Y58-F136 HydrophobicContact CD2-CD2 4.4Å; Y58-F136 HydrophobicContact CE1-CD2 4.38Å; Y58-F136 AromaticContact CE2-CD2 3.89Å; Y58-F136 HydrophobicContact CE2-CD2 3.89Å; Y58-F136 AromaticContact CZ-CD2 3.87Å; F136-T138 VanDerWaalsContact C-N 3.34Å; F136-T138 PolarHBondContact O-N 2.64Å; F136-C139 WeakPolarHBondContact O-CB 3.2Å; F136-C139 PolarHBondContact O-N 3Å; F136-C139 VanDerWaalsContact O-N 3.11Å; F136-L140 PolarHBondContact O-N 3.05Å |
| 137 | W | 94.7 | Very high | 93.6 | Very high | 185 Ų | 185 | 79.8 Ų | 79.8 | 70% | 0.701 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -62.8 | -38.9 | 179.6 | -62.6 | 110.4 | 0 | 0 | 0 | 112.7 | T135 C139 L140 A141 | T135-W137 VanDerWaalsContact C-N 3.32Å; T135-W137 PolarHBondContact O-N 3.4Å; T135-W137 PolarHBondContact OG1-N 3.4Å; W137-C139 VanDerWaalsContact C-N 3.34Å; W137-L140 HydrophobicContact CE3-CD2 4.13Å; W137-L140 HydrophobicContact CZ3-CD2 4.17Å; W137-L140 PolarHBondContact O-N 2.91Å; W137-A141 WeakPolarHBondContact O-CB 3.43Å; W137-A141 PolarHBondContact O-N 2.95Å |
| 138 | T | 95 | Very high | 94 | Very high | 53 Ų | 53 | 81.3 Ų | 81.3 | 33% | 0.325 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 174.3 | -44.3 | 0 | 0 | 0 | 0 | 111 | R133 L134 T135 F136 A141 V142 | R133-T138 WeakPolarHBondContact O-CB 3.34Å; R133-T138 PolarHBondContact O-OG1 3.14Å; L134-T138 HydrophobicContact CD1-CG2 4.39Å; T135-T138 PolarHBondContact O-N 3.44Å; T135-T138 PolarHBondContact OG1-N 2.82Å; T135-T138 PolarHBondContact OG1-OG1 2.98Å; T135-T138 VanDerWaalsContact OG1-OG1 3.09Å; F136-T138 VanDerWaalsContact C-N 3.34Å; F136-T138 PolarHBondContact O-N 2.64Å; T138-A141 PolarHBondContact O-N 3.43Å; T138-V142 VanDerWaalsContact O-CG2 3.32Å; T138-V142 WeakPolarHBondContact O-CG2 3.17Å; T138-V142 PolarHBondContact O-N 3.35Å |
| 139 | C | 95.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 74 Ų | 74 | 1% | 0.014 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 176.8 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | A55 Y58 F59 T135 F136 W137 V142 I143 | A55-C139 WeakPolarHBondContact CB-SG 3.38Å; Y58-C139 HydrophobicContact CD2-CB 4.13Å; F59-C139 HydrophobicContact CE1-CB 4.02Å; F59-C139 HydrophobicContact CZ-CB 4.3Å; T135-C139 PolarHBondContact O-N 2.94Å; T135-C139 PolarHBondContact O-SG 3.33Å; F136-C139 WeakPolarHBondContact O-CB 3.2Å; F136-C139 PolarHBondContact O-N 3Å; F136-C139 VanDerWaalsContact O-N 3.11Å; W137-C139 VanDerWaalsContact C-N 3.34Å; C139-V142 PolarHBondContact O-N 2.95Å; C139-I143 WeakPolarHBondContact O-CG1 3.32Å; C139-I143 PolarHBondContact O-N 3.36Å |
| 140 | L | 96 | Very high | 94.6 | Very high | 70 Ų | 70 | 68.8 Ų | 68.8 | 37% | 0.366 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 175.9 | -178.4 | 62.7 | 0 | 0 | 0 | 111.3 | F136 W137 V142 I143 C144 | F136-L140 PolarHBondContact O-N 3.05Å; W137-L140 HydrophobicContact CE3-CD2 4.13Å; W137-L140 HydrophobicContact CZ3-CD2 4.17Å; W137-L140 PolarHBondContact O-N 2.91Å; L140-V142 VanDerWaalsContact C-N 3.33Å; L140-V142 PolarHBondContact O-N 3.45Å; L140-I143 PolarHBondContact O-N 2.8Å; L140-C144 PolarHBondContact O-N 3.4Å; L140-C144 PolarHBondContact O-SG 3.1Å; L140-C144 VanDerWaalsContact O-SG 3.32Å |
| 141 | A | 97.1 | Very high | 94.7 | Very high | 60 Ų | 60 | 70.7 Ų | 70.7 | 50% | 0.496 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.6 | -40.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | W137 T138 C144 M145 | W137-A141 WeakPolarHBondContact O-CB 3.43Å; W137-A141 PolarHBondContact O-N 2.95Å; T138-A141 PolarHBondContact O-N 3.43Å; A141-C144 PolarHBondContact O-N 3.39Å; A141-M145 VanDerWaalsContact O-CB 3.28Å; A141-M145 WeakPolarHBondContact O-CB 3.48Å; A141-M145 PolarHBondContact O-N 3.47Å |
| 142 | V | 97.3 | Very high | 94.8 | Very high | 30 Ų | 30 | 70 Ų | 70 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 174 | 169.6 | 0 | 0 | 0 | 0 | 111 | F59 M112 C115 T138 C139 L140 M145 V146 | F59-V142 HydrophobicContact CE1-CB 4.18Å; F59-V142 HydrophobicContact CE1-CG1 3.93Å; F59-V142 HydrophobicContact CZ-CB 4.35Å; F59-V142 HydrophobicContact CZ-CG1 4.07Å; M112-V142 HydrophobicContact CE-CG1 4.36Å; C115-V142 HydrophobicContact CB-CG1 3.98Å; T138-V142 VanDerWaalsContact O-CG2 3.32Å; T138-V142 WeakPolarHBondContact O-CG2 3.17Å; T138-V142 PolarHBondContact O-N 3.35Å; C139-V142 PolarHBondContact O-N 2.95Å; L140-V142 VanDerWaalsContact C-N 3.33Å; L140-V142 PolarHBondContact O-N 3.45Å; V142-M145 PolarHBondContact O-N 3.08Å; V142-V146 HydrophobicContact CG1-CG2 4.44Å; V142-V146 VanDerWaalsContact O-CG2 3.32Å; V142-V146 WeakPolarHBondContact O-CG2 3.37Å; V142-V146 PolarHBondContact O-N 3.09Å |
| 143 | I | 97.8 | Very high | 94.6 | Very high | 25 Ų | 25 | 64 Ų | 64 | 13% | 0.128 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.9 | -48 | 178.1 | -69.9 | 164.3 | 0 | 0 | 0 | 110.6 | F59 D62 M112 C139 L140 M145 V146 W147 | F59-I143 HydrophobicContact CD1-CD1 4.19Å; F59-I143 HydrophobicContact CD1-CG1 4Å; F59-I143 HydrophobicContact CE1-CD1 4.49Å; F59-I143 HydrophobicContact CE1-CG1 4.17Å; D62-I143 HydrophobicContact CB-CD1 4.14Å; D62-I143 HydrophobicContact CB-CG1 4.31Å; D62-I143 HydrophobicContact CB-CG2 4.46Å; D62-I143 WeakPolarHBondContact OD1-CG2 3.47Å; M112-I143 HydrophobicContact SD-CG1 4.44Å; C139-I143 WeakPolarHBondContact O-CG1 3.32Å; C139-I143 PolarHBondContact O-N 3.36Å; L140-I143 PolarHBondContact O-N 2.8Å; I143-M145 VanDerWaalsContact C-N 3.31Å; I143-M145 PolarHBondContact O-N 2.94Å; I143-V146 PolarHBondContact O-N 3.29Å; I143-V146 VanDerWaalsContact O-N 3.15Å; I143-W147 VanDerWaalsContact O-CD1 3.27Å; I143-W147 PolarHBondContact O-N 3.44Å |
| 144 | C | 97.7 | Very high | 94.3 | Very high | 66 Ų | 66 | 56.1 Ų | 56.1 | 45% | 0.446 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 176.7 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | L140 A141 V146 W147 T148 | L140-C144 PolarHBondContact O-N 3.4Å; L140-C144 PolarHBondContact O-SG 3.1Å; L140-C144 VanDerWaalsContact O-SG 3.32Å; A141-C144 PolarHBondContact O-N 3.39Å; C144-V146 VanDerWaalsContact C-N 3.35Å; C144-W147 PolarHBondContact O-N 2.86Å; C144-T148 WeakPolarHBondContact O-CB 3.28Å; C144-T148 WeakPolarHBondContact O-CG2 3.49Å; C144-T148 PolarHBondContact O-N 3.26Å; C144-T148 PolarHBondContact O-OG1 3.36Å |
| 145 | M | 97.4 | Very high | 93.7 | Very high | 82 Ų | 82 | 58.9 Ų | 58.9 | 40% | 0.404 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.6 | -41.2 | 174.9 | 175.4 | -92.3 | -78.5 | 0 | 0 | 111.6 | A141 V142 I143 T148 L149 | A141-M145 VanDerWaalsContact O-CB 3.28Å; A141-M145 WeakPolarHBondContact O-CB 3.48Å; A141-M145 PolarHBondContact O-N 3.47Å; V142-M145 PolarHBondContact O-N 3.08Å; I143-M145 VanDerWaalsContact C-N 3.31Å; I143-M145 PolarHBondContact O-N 2.94Å; M145-T148 WeakPolarHBondContact CA-OG1 3.42Å; M145-T148 PolarHBondContact O-N 3.09Å; M145-T148 PolarHBondContact O-OG1 3.08Å; M145-L149 HydrophobicContact CG-CD1 4.01Å; M145-L149 WeakPolarHBondContact O-CB 3.42Å; M145-L149 WeakPolarHBondContact O-CD1 3.37Å; M145-L149 WeakPolarHBondContact O-CG 3.41Å; M145-L149 PolarHBondContact O-N 3.03Å; M145-L149 HydrophobicContact SD-CD1 3.23Å; M145-L149 WeakPolarHBondContact SD-CD1 3.23Å; M145-L149 HydrophobicContact SD-CG 4.4Å |
| 146 | V | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 176.6 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | F111 M112 V142 I143 C144 T148 L149 S150 | F111-V146 HydrophobicContact CB-CG1 3.73Å; F111-V146 HydrophobicContact CB-CG2 4.37Å; M112-V146 HydrophobicContact CB-CG1 4.19Å; V142-V146 HydrophobicContact CG1-CG2 4.44Å; V142-V146 VanDerWaalsContact O-CG2 3.32Å; V142-V146 WeakPolarHBondContact O-CG2 3.37Å; V142-V146 PolarHBondContact O-N 3.09Å; I143-V146 PolarHBondContact O-N 3.29Å; I143-V146 VanDerWaalsContact O-N 3.15Å; C144-V146 VanDerWaalsContact C-N 3.35Å; V146-T148 PolarHBondContact O-N 3.08Å; V146-L149 PolarHBondContact O-N 3.11Å; V146-S150 WeakPolarHBondContact O-CB 3.4Å; V146-S150 PolarHBondContact O-N 3.12Å; V146-S150 PolarHBondContact O-OG 2.92Å |
| 147 | W | 97.3 | Very high | 91.5 | Very high | 74 Ų | 74 | 53.3 Ų | 53.3 | 28% | 0.28 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60 | -45.9 | 175.9 | -84.1 | 102.9 | 0 | 0 | 0 | 111.9 | D62 L69 L104 H108 I143 C144 S150 V151 | D62-W147 PolarHBondContact OD1-NE1 2.9Å; L69-W147 HydrophobicContact CD2-CH2 4.12Å; L104-W147 HydrophobicContact CD2-CZ3 4.06Å; L104-W147 HydrophobicContact CG-CZ3 4.33Å; H108-W147 AromaticContact CE1-CD1 3.51Å; H108-W147 AromaticContact CE1-CD2 3.63Å; H108-W147 AromaticContact CE1-CE2 3.3Å; H108-W147 AromaticContact CE1-CG 3.77Å; H108-W147 AromaticContact CE1-CZ2 3.84Å; H108-W147 AromaticContact CE1-NE1 3.2Å; H108-W147 PolarHBondContact CE1-NE1 2.79Å; H108-W147 AromaticContact ND1-CD2 3.58Å; H108-W147 AromaticContact ND1-CE2 3.68Å; H108-W147 AromaticContact ND1-CE3 3.96Å; H108-W147 AromaticContact ND1-CG 3.85Å; H108-W147 AromaticContact ND1-NE1 3.95Å; H108-W147 AromaticContact NE2-CE2 3.87Å; H108-W147 AromaticContact NE2-CZ2 3.98Å; H108-W147 AromaticContact NE2-NE1 3.86Å; I143-W147 VanDerWaalsContact O-CD1 3.27Å; I143-W147 PolarHBondContact O-N 3.44Å; C144-W147 PolarHBondContact O-N 2.86Å; W147-S150 PolarHBondContact O-N 2.88Å; W147-V151 WeakPolarHBondContact O-CG2 3.16Å; W147-V151 PolarHBondContact O-N 3.2Å |
| 148 | T | 96.3 | Very high | 89.9 | Confident | 92 Ų | 92 | 47.6 Ų | 47.6 | 56% | 0.564 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.6 | -43.9 | 179.6 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | C144 M145 V146 S150 V151 A152 | C144-T148 WeakPolarHBondContact O-CB 3.28Å; C144-T148 WeakPolarHBondContact O-CG2 3.49Å; C144-T148 PolarHBondContact O-N 3.26Å; C144-T148 PolarHBondContact O-OG1 3.36Å; M145-T148 WeakPolarHBondContact CA-OG1 3.42Å; M145-T148 PolarHBondContact O-N 3.09Å; M145-T148 PolarHBondContact O-OG1 3.08Å; V146-T148 PolarHBondContact O-N 3.08Å; T148-S150 VanDerWaalsContact C-N 3.3Å; T148-S150 PolarHBondContact O-N 3.18Å; T148-V151 PolarHBondContact O-N 2.98Å; T148-A152 WeakPolarHBondContact O-CB 3.41Å; T148-A152 PolarHBondContact O-N 3.42Å |
| 149 | L | 94.4 | Very high | 88.3 | Confident | 63 Ų | 63 | 50.7 Ų | 50.7 | 33% | 0.33 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 172.5 | -79 | 162.5 | 0 | 0 | 0 | 112 | F111 M145 V146 A152 M153 | F111-L149 HydrophobicContact CD2-CB 4.24Å; F111-L149 HydrophobicContact CE2-CB 4.08Å; F111-L149 HydrophobicContact CZ-CB 4.42Å; M145-L149 HydrophobicContact CG-CD1 4.01Å; M145-L149 WeakPolarHBondContact O-CB 3.42Å; M145-L149 WeakPolarHBondContact O-CD1 3.37Å; M145-L149 WeakPolarHBondContact O-CG 3.41Å; M145-L149 PolarHBondContact O-N 3.03Å; M145-L149 HydrophobicContact SD-CD1 3.23Å; M145-L149 WeakPolarHBondContact SD-CD1 3.23Å; M145-L149 HydrophobicContact SD-CG 4.4Å; V146-L149 PolarHBondContact O-N 3.11Å; L149-A152 PolarHBondContact O-N 3.08Å; L149-M153 VanDerWaalsContact O-CG 3.31Å; L149-M153 WeakPolarHBondContact O-CG 3.17Å; L149-M153 PolarHBondContact O-N 3.31Å |
| 150 | S | 95 | Very high | 86.3 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.8 | -41.1 | -178.9 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | L104 H108 V146 W147 T148 M153 A154 | L104-S150 VanDerWaalsContact CD1-C 3.45Å; H108-S150 WeakPolarHBondContact CA-OG 3.03Å; H108-S150 PolarHBondContact N-OG 3.25Å; V146-S150 WeakPolarHBondContact O-CB 3.4Å; V146-S150 PolarHBondContact O-N 3.12Å; V146-S150 PolarHBondContact O-OG 2.92Å; W147-S150 PolarHBondContact O-N 2.88Å; T148-S150 VanDerWaalsContact C-N 3.3Å; T148-S150 PolarHBondContact O-N 3.18Å; S150-M153 PolarHBondContact O-N 3.39Å; S150-A154 WeakPolarHBondContact O-CB 3.45Å; S150-A154 PolarHBondContact O-N 3.18Å |
| 151 | V | 92.8 | Very high | 84.4 | Confident | 61 Ų | 61 | 58 Ų | 58 | 37% | 0.37 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 171.9 | 171.7 | 0 | 0 | 0 | 0 | 110.2 | L104 W147 T148 M153 A154 F155 | L104-V151 HydrophobicContact CD1-CB 4.33Å; L104-V151 HydrophobicContact CD1-CG2 3.64Å; W147-V151 WeakPolarHBondContact O-CG2 3.16Å; W147-V151 PolarHBondContact O-N 3.2Å; T148-V151 PolarHBondContact O-N 2.98Å; V151-M153 PolarHBondContact O-N 3.4Å; V151-A154 PolarHBondContact O-N 2.68Å; V151-A154 VanDerWaalsContact O-N 3.1Å; V151-F155 VanDerWaalsContact O-CB 3.23Å; V151-F155 WeakPolarHBondContact O-CB 3.37Å; V151-F155 PolarHBondContact O-N 3.27Å |
| 152 | A | 90 | Very high | 82.5 | Confident | 57 Ų | 57 | 56.8 Ų | 56.8 | 47% | 0.471 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.6 | -29.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | T148 L149 P156 | T148-A152 WeakPolarHBondContact O-CB 3.41Å; T148-A152 PolarHBondContact O-N 3.42Å; L149-A152 PolarHBondContact O-N 3.08Å; A152-P156 WeakPolarHBondContact O-CD 3.46Å; A152-P156 WeakPolarHBondContact O-CG 3.41Å |
| 153 | M | 85.9 | Confident | 81.2 | Confident | 48 Ų | 48 | 57.1 Ų | 57.1 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -83.6 | -31.2 | 174.7 | -66.4 | -56.5 | 164.3 | 0 | 0 | 113.6 | F107 F111 L149 S150 V151 F188 L191 | F107-M153 HydrophobicContact CD1-CB 4.25Å; F107-M153 HydrophobicContact CD2-CB 4.16Å; F107-M153 HydrophobicContact CE1-CB 4.49Å; F107-M153 HydrophobicContact CE2-CB 4.4Å; F107-M153 HydrophobicContact CG-CB 4.09Å; F111-M153 HydrophobicContact CE2-CG 3.96Å; F111-M153 HydrophobicContact CZ-CG 4.07Å; L149-M153 VanDerWaalsContact O-CG 3.31Å; L149-M153 WeakPolarHBondContact O-CG 3.17Å; L149-M153 PolarHBondContact O-N 3.31Å; S150-M153 PolarHBondContact O-N 3.39Å; V151-M153 PolarHBondContact O-N 3.4Å; M153-F188 WeakPolarHBondContact O-CE1 3.45Å; M153-L191 HydrophobicContact CE-CD2 3.41Å; M153-L191 VanDerWaalsContact CE-CD2 3.41Å; M153-L191 HydrophobicContact CG-CD2 4Å; M153-L191 HydrophobicContact SD-CD2 3.21Å; M153-L191 WeakPolarHBondContact SD-CD2 3.12Å |
| 154 | A | 85.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -82.9 | -20.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F100 V103 L104 S150 V151 Y164 | F100-A154 HydrophobicContact CD2-CB 3.77Å; F100-A154 WeakPolarHBondContact CD2-O 3.22Å; F100-A154 HydrophobicContact CE2-CB 3.51Å; F100-A154 HydrophobicContact CZ-CB 4.28Å; V103-A154 HydrophobicContact CG1-CB 4.14Å; L104-A154 HydrophobicContact CB-CB 4.09Å; L104-A154 HydrophobicContact CD1-CB 4.4Å; S150-A154 WeakPolarHBondContact O-CB 3.45Å; S150-A154 PolarHBondContact O-N 3.18Å; V151-A154 PolarHBondContact O-N 2.68Å; V151-A154 VanDerWaalsContact O-N 3.1Å; A154-Y164 PolarHBondContact O-OH 3.3Å |
| 155 | F | 80 | Confident | 79.9 | Confident | 97 Ų | 97 | 54.8 Ų | 54.8 | 43% | 0.425 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -76.3 | -39.1 | -174.1 | -163.3 | -111.8 | 0 | 0 | 0 | 115.9 | V151 V158 L159 | V151-F155 VanDerWaalsContact O-CB 3.23Å; V151-F155 WeakPolarHBondContact O-CB 3.37Å; V151-F155 PolarHBondContact O-N 3.27Å; F155-V158 WeakPolarHBondContact O-CA 3.48Å; F155-V158 WeakPolarHBondContact O-CB 3.46Å; F155-V158 PolarHBondContact O-N 3.2Å; F155-L159 HydrophobicContact CD1-CD1 3.64Å; F155-L159 HydrophobicContact CD1-CD2 4.34Å; F155-L159 HydrophobicContact CD1-CG 3.82Å; F155-L159 HydrophobicContact CE1-CD1 3.46Å; F155-L159 VanDerWaalsContact CE1-CD1 3.46Å; F155-L159 HydrophobicContact CE1-CD2 3.6Å; F155-L159 HydrophobicContact CE1-CG 3.57Å; F155-L159 HydrophobicContact CZ-CD1 4.46Å; F155-L159 HydrophobicContact CZ-CD2 3.78Å; F155-L159 HydrophobicContact CZ-CG 4.17Å; F155-L159 PolarHBondContact O-N 3.48Å |
| 156 | P | 72.5 | Confident | 79.4 | Confident | 48 Ų | 48 | 53.1 Ų | 53.1 | 31% | 0.312 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.9 | -39.9 | -176.1 | -19.2 | 27.7 | 0 | 0 | 0 | 113.9 | A152 V158 L159 D160 F188 | A152-P156 WeakPolarHBondContact O-CD 3.46Å; A152-P156 WeakPolarHBondContact O-CG 3.41Å; P156-V158 PolarHBondContact O-N 3.19Å; P156-V158 VanDerWaalsContact O-N 3.12Å; P156-L159 PolarHBondContact O-N 3.02Å; P156-L159 VanDerWaalsContact O-N 3.08Å; P156-D160 PolarHBondContact O-N 3.45Å; P156-D160 VanDerWaalsContact O-N 3.11Å; P156-F188 HydrophobicContact CB-CE1 4.45Å; P156-F188 HydrophobicContact CB-CZ 3.71Å; P156-F188 HydrophobicContact CG-CE1 4.12Å; P156-F188 HydrophobicContact CG-CZ 3.84Å |
| 157 | P | 65.8 | Low | 78.9 | Confident | 7 Ų | 7 | 53.8 Ų | 53.8 | 5% | 0.045 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.6 | -22.6 | 171.6 | -27.5 | 36.8 | 0 | 0 | 0 | 115.2 | T163 Y164 F175 F188 | P157-T163 WeakPolarHBondContact CB-OG1 3.46Å; P157-T163 PolarHBondContact O-OG1 2.84Å; P157-Y164 HydrophobicContact CB-CD2 4.48Å; P157-Y164 HydrophobicContact CB-CE1 4.16Å; P157-Y164 HydrophobicContact CB-CE2 3.82Å; P157-F175 HydrophobicContact CB-CD2 4.09Å; P157-F175 HydrophobicContact CB-CE2 4.26Å; P157-F175 HydrophobicContact CG-CD2 4.3Å; P157-F175 HydrophobicContact CG-CE2 4.39Å; P157-F188 HydrophobicContact CG-CE2 4.16Å; P157-F188 HydrophobicContact CG-CZ 4.2Å |
| 158 | V | 61.6 | Low | 78.3 | Confident | 64 Ų | 64 | 58.5 Ų | 58.5 | 39% | 0.388 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -76.6 | -37.3 | 176.2 | -176.3 | 0 | 0 | 0 | 0 | 111.3 | F100 F155 P156 Y164 | F100-V158 HydrophobicContact CB-CG2 4.48Å; F100-V158 HydrophobicContact CD2-CG2 3.71Å; F100-V158 HydrophobicContact CE2-CG2 4.42Å; F100-V158 HydrophobicContact CG-CG2 4.42Å; F155-V158 WeakPolarHBondContact O-CA 3.48Å; F155-V158 WeakPolarHBondContact O-CB 3.46Å; F155-V158 PolarHBondContact O-N 3.2Å; P156-V158 PolarHBondContact O-N 3.19Å; P156-V158 VanDerWaalsContact O-N 3.12Å; V158-Y164 HydrophobicContact CG2-CD2 4.26Å; V158-Y164 HydrophobicContact CG2-CE2 3.68Å |
| 159 | L | 61.2 | Low | 77.7 | Confident | 119 Ų | 119 | 59.5 Ų | 59.5 | 62% | 0.623 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -79.1 | -31.9 | -178.1 | -64 | -179.1 | 0 | 0 | 0 | 112.9 | F155 P156 V161 | F155-L159 HydrophobicContact CD1-CD1 3.64Å; F155-L159 HydrophobicContact CD1-CD2 4.34Å; F155-L159 HydrophobicContact CD1-CG 3.82Å; F155-L159 HydrophobicContact CE1-CD1 3.46Å; F155-L159 VanDerWaalsContact CE1-CD1 3.46Å; F155-L159 HydrophobicContact CE1-CD2 3.6Å; F155-L159 HydrophobicContact CE1-CG 3.57Å; F155-L159 HydrophobicContact CZ-CD1 4.46Å; F155-L159 HydrophobicContact CZ-CD2 3.78Å; F155-L159 HydrophobicContact CZ-CG 4.17Å; F155-L159 PolarHBondContact O-N 3.48Å; P156-L159 PolarHBondContact O-N 3.02Å; P156-L159 VanDerWaalsContact O-N 3.08Å; L159-V161 PolarHBondContact O-N 2.87Å; L159-V161 VanDerWaalsContact O-N 3.09Å |
| 160 | D | 54.3 | Low | 77.2 | Confident | 85 Ų | 85 | 56.5 Ų | 56.5 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -90.6 | 63.6 | -168.3 | -130.3 | -23 | 0 | 0 | 0 | 113.9 | P156 G162 | P156-D160 PolarHBondContact O-N 3.45Å; P156-D160 VanDerWaalsContact O-N 3.11Å; D160-G162 VanDerWaalsContact C-N 3.31Å; D160-G162 PolarHBondContact O-N 3.42Å; D160-G162 VanDerWaalsContact O-N 3.08Å |
| 161 | V | 55.6 | Low | 76.8 | Confident | 141 Ų | 141 | 56.5 Ų | 56.5 | 86% | 0.855 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 59.6 | 26.6 | 164.2 | -133.7 | 0 | 0 | 0 | 0 | 116.7 | L159 | L159-V161 PolarHBondContact O-N 2.87Å; L159-V161 VanDerWaalsContact O-N 3.09Å |
| 162 | G | 56.9 | Low | 76.7 | Confident | 33 Ų | 33 | 55 Ų | 55 | 34% | 0.34 | 30% | 0.297 | S | S | . | . | trans | 90.8 | 51.9 | 163.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | D160 Y164 | D160-G162 VanDerWaalsContact C-N 3.31Å; D160-G162 PolarHBondContact O-N 3.42Å; D160-G162 VanDerWaalsContact O-N 3.08Å; G162-Y164 VanDerWaalsContact C-N 3.32Å | ||
| 163 | T | 70.3 | Confident | 76.5 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 23% | 0.227 | 28% | 0.276 | C | S | . | . | trans | -75.7 | -16.1 | 172.6 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | P157 S165 F175 Q176 | P157-T163 WeakPolarHBondContact CB-OG1 3.46Å; P157-T163 PolarHBondContact O-OG1 2.84Å; T163-S165 PolarHBondContact O-N 2.72Å; T163-F175 HydrophobicContact CG2-CE2 3.84Å; T163-F175 HydrophobicContact CG2-CZ 4.14Å; T163-F175 VanDerWaalsContact OG1-CE2 3.28Å; T163-F175 WeakPolarHBondContact OG1-CE2 3.26Å; T163-Q176 VanDerWaalsContact O-CB 3.3Å; T163-Q176 WeakPolarHBondContact O-CB 3.27Å; T163-Q176 PolarHBondContact O-N 3.03Å | ||
| 164 | Y | 83.2 | Confident | 76.4 | Confident | 13 Ų | 13 | 50.9 Ų | 50.9 | 5% | 0.051 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 114.2 | 171.5 | -70.1 | -45.9 | 0 | 0 | 0 | 111.4 | A99 F100 V103 A154 P157 V158 G162 F175 | A99-Y164 HydrophobicContact CB-CD1 3.4Å; A99-Y164 VanDerWaalsContact CB-CD1 3.4Å; A99-Y164 HydrophobicContact CB-CD2 4.24Å; A99-Y164 HydrophobicContact CB-CE1 3.94Å; A99-Y164 HydrophobicContact CB-CG 3.58Å; F100-Y164 HydrophobicContact CB-CE2 4.2Å; V103-Y164 HydrophobicContact CG2-CE1 3.94Å; A154-Y164 PolarHBondContact O-OH 3.3Å; P157-Y164 HydrophobicContact CB-CD2 4.48Å; P157-Y164 HydrophobicContact CB-CE1 4.16Å; P157-Y164 HydrophobicContact CB-CE2 3.82Å; V158-Y164 HydrophobicContact CG2-CD2 4.26Å; V158-Y164 HydrophobicContact CG2-CE2 3.68Å; G162-Y164 VanDerWaalsContact C-N 3.32Å; Y164-F175 HydrophobicContact CD1-CB 4.4Å; Y164-F175 HydrophobicContact CE1-CB 4.23Å |
| 165 | S | 83.9 | Confident | 76 | Confident | 30 Ų | 30 | 52.3 Ų | 52.3 | 21% | 0.21 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 157.2 | 179.7 | 71.6 | 0 | 0 | 0 | 0 | 110.9 | T163 I167 T174 Q176 | T163-S165 PolarHBondContact O-N 2.72Å; S165-I167 PolarHBondContact O-N 3.36Å; S165-T174 PolarHBondContact N-O 3.01Å; S165-T174 VanDerWaalsContact N-O 3.08Å; S165-T174 PolarHBondContact O-N 3.27Å; S165-T174 VanDerWaalsContact O-N 3.08Å; S165-Q176 WeakPolarHBondContact OG-CB 3.4Å |
| 166 | F | 87.8 | Confident | 75.7 | Confident | 46 Ų | 46 | 51.9 Ų | 51.9 | 20% | 0.202 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 122 | 169.4 | 178.4 | -108.1 | 0 | 0 | 0 | 110.5 | S81 S86 W88 R168 | S81-F166 VanDerWaalsContact OG-CE2 3.23Å; S81-F166 WeakPolarHBondContact OG-CE2 3.36Å; S81-F166 VanDerWaalsContact OG-CZ 3.29Å; S81-F166 WeakPolarHBondContact OG-CZ 3.37Å; S86-F166 WeakPolarHBondContact O-CE1 3.06Å; S86-F166 WeakPolarHBondContact O-CZ 3.24Å; W88-F166 HydrophobicContact CB-CB 4.12Å; W88-F166 HydrophobicContact CB-CD1 4Å; W88-F166 HydrophobicContact CB-CD2 3.87Å; W88-F166 HydrophobicContact CB-CE1 4.38Å; W88-F166 HydrophobicContact CB-CE2 4.28Å; W88-F166 HydrophobicContact CB-CG 3.71Å; W88-F166 HydrophobicContact CD2-CD2 4.32Å; W88-F166 AromaticContact CE3-CD2 3.86Å; W88-F166 HydrophobicContact CE3-CD2 3.86Å; W88-F166 HydrophobicContact CE3-CE2 4.12Å; W88-F166 HydrophobicContact CG-CD2 4.36Å; W88-F166 HydrophobicContact CG-CG 4.42Å; F166-R168 HydrophobicContact CD1-CG 4.16Å; F166-R168 HydrophobicContact CE1-CB 4.46Å; F166-R168 HydrophobicContact CE1-CG 3.7Å |
| 167 | I | 86.8 | Confident | 75.3 | Confident | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.077 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 110.9 | 178.2 | -57 | -169.6 | 0 | 0 | 0 | 108.3 | S165 E169 E170 D171 Q172 T174 | S165-I167 PolarHBondContact O-N 3.36Å; I167-E169 VanDerWaalsContact C-N 3.26Å; I167-E169 HydrophobicContact CG2-CB 4.48Å; I167-E169 WeakPolarHBondContact CG2-OE2 3.48Å; I167-E169 PolarHBondContact O-N 3.46Å; I167-E170 HydrophobicContact CB-CB 4.33Å; I167-E170 HydrophobicContact CB-CG 4.39Å; I167-E170 HydrophobicContact CG2-CB 4.2Å; I167-E170 HydrophobicContact CG2-CG 3.84Å; I167-E170 PolarHBondContact O-N 2.97Å; I167-E170 VanDerWaalsContact O-N 3.15Å; I167-D171 PolarHBondContact O-N 3.36Å; I167-D171 VanDerWaalsContact O-N 3.13Å; I167-Q172 PolarHBondContact N-O 3.48Å; I167-T174 HydrophobicContact CB-CG2 4.35Å; I167-T174 HydrophobicContact CD1-CG2 3.32Å; I167-T174 HydrophobicContact CG1-CG2 3.82Å |
| 168 | R | 85.5 | Confident | 74.9 | Confident | 173 Ų | 173 | 59.4 Ų | 59.4 | 65% | 0.653 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -60.7 | -35.8 | -175.9 | -76.2 | -179.2 | 176.1 | -171.1 | -0.5 | 112.4 | F166 E170 D171 | F166-R168 HydrophobicContact CD1-CG 4.16Å; F166-R168 HydrophobicContact CE1-CB 4.46Å; F166-R168 HydrophobicContact CE1-CG 3.7Å; R168-E170 PolarHBondContact O-N 2.92Å; R168-D171 PolarHBondContact O-N 3.41Å |
| 169 | E | 83.9 | Confident | 74.4 | Confident | 112 Ų | 112 | 59.7 Ų | 59.7 | 52% | 0.523 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -73.1 | -18.1 | -177.9 | -53.7 | 78 | -171.1 | 0 | 0 | 112.9 | I167 L322 | I167-E169 VanDerWaalsContact C-N 3.26Å; I167-E169 HydrophobicContact CG2-CB 4.48Å; I167-E169 WeakPolarHBondContact CG2-OE2 3.48Å; I167-E169 PolarHBondContact O-N 3.46Å; E169-L322 HydrophobicContact CB-CD2 3.61Å |
| 170 | E | 84 | Confident | 74 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -108.7 | -2.5 | 179.3 | -58 | -175.2 | -149.3 | 0 | 0 | 112.7 | I167 R168 Q172 Y302 R309 L322 V326 | I167-E170 HydrophobicContact CB-CB 4.33Å; I167-E170 HydrophobicContact CB-CG 4.39Å; I167-E170 HydrophobicContact CG2-CB 4.2Å; I167-E170 HydrophobicContact CG2-CG 3.84Å; I167-E170 PolarHBondContact O-N 2.97Å; I167-E170 VanDerWaalsContact O-N 3.15Å; R168-E170 PolarHBondContact O-N 2.92Å; E170-Q172 HydrophobicContact CB-CG 3.81Å; E170-Q172 WeakPolarHBondContact O-CG 3.48Å; E170-Q172 PolarHBondContact O-N 2.82Å; E170-Q172 PolarHBondContact OE2-NE2 3.03Å; E170-Q172 VanDerWaalsContact OE2-NE2 3.07Å; E170-Y302 WeakPolarHBondContact OE2-CE2 3.26Å; E170-Y302 PolarHBondContact OE2-OH 3.49Å; E170-R309 IonicContact OE1-CZ 2.68Å; E170-R309 IonicContact OE1-NH1 3.67Å; E170-R309 PolarHBondContact OE1-NH1 3.18Å; E170-L322 HydrophobicContact CG-CD1 4.27Å; E170-L322 HydrophobicContact CG-CD2 3.85Å; E170-L322 HydrophobicContact CG-CG 4.15Å; E170-V326 HydrophobicContact CB-CG2 4.05Å; E170-V326 HydrophobicContact CG-CG2 3.8Å |
| 171 | D | 86.1 | Confident | 73.7 | Confident | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 13.3 | -176.3 | -61.7 | -63.4 | 0 | 0 | 0 | 115.1 | K24 V78 S81 V82 S86 I167 R168 W327 | K24-D171 IonicContact NZ-OD2 2.7Å; K24-D171 PolarHBondContact NZ-OD2 3.45Å; V78-D171 HydrophobicContact CG1-CB 4.33Å; S81-D171 WeakPolarHBondContact CB-O 3.23Å; S81-D171 PolarHBondContact OG-O 3.09Å; V82-D171 HydrophobicContact CG2-CB 3.61Å; S86-D171 WeakPolarHBondContact CB-OD1 3.45Å; S86-D171 PolarHBondContact OG-OD1 3.22Å; I167-D171 PolarHBondContact O-N 3.36Å; I167-D171 VanDerWaalsContact O-N 3.13Å; R168-D171 PolarHBondContact O-N 3.41Å; D171-W327 HydrophobicContact CB-CH2 4.24Å |
| 172 | Q | 89.7 | Confident | 73.6 | Confident | 28 Ų | 28 | 62.3 Ų | 62.3 | 13% | 0.131 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 156.9 | -171.7 | 69.1 | -177.7 | -25.6 | 0 | 0 | 112.9 | V78 I167 E170 T174 F330 | V78-Q172 HydrophobicContact CG2-CB 3.82Å; I167-Q172 PolarHBondContact N-O 3.48Å; E170-Q172 HydrophobicContact CB-CG 3.81Å; E170-Q172 WeakPolarHBondContact O-CG 3.48Å; E170-Q172 PolarHBondContact O-N 2.82Å; E170-Q172 PolarHBondContact OE2-NE2 3.03Å; E170-Q172 VanDerWaalsContact OE2-NE2 3.07Å; Q172-T174 HydrophobicContact CG-CG2 4.37Å; Q172-F330 VanDerWaalsContact OE1-CE1 3.27Å; Q172-F330 VanDerWaalsContact OE1-CZ 3.3Å |
| 173 | C | 87.4 | Confident | 73.6 | Confident | 5 Ų | 5 | 66.8 Ų | 66.8 | 3% | 0.034 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 120.1 | 166.9 | -70.7 | 0 | 0 | 0 | 0 | 109.5 | W88 C95 A99 | W88-C173 VanDerWaalsContact CD2-SG 3.6Å; W88-C173 VanDerWaalsContact CE3-SG 3.53Å; C95-C173 WeakPolarHBondContact CA-SG 3.34Å; C95-C173 HydrophobicContact CB-CB 4.06Å; C95-C173 WeakPolarHBondContact CB-SG 3.33Å; C95-C173 VanDerWaalsContact O-CB 3.25Å; C95-C173 WeakPolarHBondContact O-CB 3.23Å; C95-C173 WeakPolarHBondContact SG-CB 3.32Å; C95-C173 CovalentContact SG-SG 2.03Å; C95-C173 PolarHBondContact SG-SG 2.65Å; A99-C173 WeakPolarHBondContact CA-O 3.44Å; A99-C173 HydrophobicContact CB-CB 4.05Å; A99-C173 WeakPolarHBondContact CB-O 3.33Å |
| 174 | T | 83.9 | Confident | 73 | Confident | 15 Ų | 15 | 69.2 Ų | 69.2 | 9% | 0.092 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 179.7 | -179.5 | -170.6 | 0 | 0 | 0 | 0 | 110.2 | S165 I167 Q172 Q176 | S165-T174 PolarHBondContact N-O 3.01Å; S165-T174 VanDerWaalsContact N-O 3.08Å; S165-T174 PolarHBondContact O-N 3.27Å; S165-T174 VanDerWaalsContact O-N 3.08Å; I167-T174 HydrophobicContact CB-CG2 4.35Å; I167-T174 HydrophobicContact CD1-CG2 3.32Å; I167-T174 HydrophobicContact CG1-CG2 3.82Å; Q172-T174 HydrophobicContact CG-CG2 4.37Å; T174-Q176 PolarHBondContact O-N 3.5Å |
| 175 | F | 76.4 | Confident | 72.1 | Confident | 29 Ų | 29 | 69 Ų | 69 | 13% | 0.127 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 125.4 | 176.1 | -175.5 | -87.9 | 0 | 0 | 0 | 110.5 | P157 T163 Y164 H177 S185 | P157-F175 HydrophobicContact CB-CD2 4.09Å; P157-F175 HydrophobicContact CB-CE2 4.26Å; P157-F175 HydrophobicContact CG-CD2 4.3Å; P157-F175 HydrophobicContact CG-CE2 4.39Å; T163-F175 HydrophobicContact CG2-CE2 3.84Å; T163-F175 HydrophobicContact CG2-CZ 4.14Å; T163-F175 VanDerWaalsContact OG1-CE2 3.28Å; T163-F175 WeakPolarHBondContact OG1-CE2 3.26Å; Y164-F175 HydrophobicContact CD1-CB 4.4Å; Y164-F175 HydrophobicContact CE1-CB 4.23Å; F175-H177 PolarHBondContact O-CE1 3.38Å; F175-H177 PolarHBondContact O-N 3.14Å; F175-H177 VanDerWaalsContact O-N 3.16Å; F175-H177 PolarHBondContact O-ND1 3.13Å; F175-S185 VanDerWaalsContact CZ-CB 3.43Å |
| 176 | Q | 72.6 | Confident | 71.4 | Confident | 89 Ų | 89 | 69.4 Ų | 69.4 | 42% | 0.416 | 32% | 0.322 | S | S | . | . | trans | -71.2 | 109.3 | 174.4 | -164 | 177.5 | 0.9 | 0 | 0 | 109.4 | T163 S165 T174 R178 | T163-Q176 VanDerWaalsContact O-CB 3.3Å; T163-Q176 WeakPolarHBondContact O-CB 3.27Å; T163-Q176 PolarHBondContact O-N 3.03Å; S165-Q176 WeakPolarHBondContact OG-CB 3.4Å; T174-Q176 PolarHBondContact O-N 3.5Å; Q176-R178 VanDerWaalsContact C-N 3.3Å; Q176-R178 PolarHBondContact O-N 3.48Å | ||
| 177 | H | 64.3 | Low | 70.7 | Confident | 30 Ų | 30 | 69.1 Ų | 69.1 | 14% | 0.139 | 33% | 0.332 | C | S | . | . | trans | -69.4 | 86 | 175.9 | -62.4 | 88 | 0 | 0 | 0 | 109.9 | F175 C306 R309 | F175-H177 PolarHBondContact O-CE1 3.38Å; F175-H177 PolarHBondContact O-N 3.14Å; F175-H177 VanDerWaalsContact O-N 3.16Å; F175-H177 PolarHBondContact O-ND1 3.13Å; H177-C306 VanDerWaalsContact CE1-SG 3.54Å; H177-C306 WeakPolarHBondContact NE2-CB 3.38Å; H177-C306 PolarHBondContact NE2-SG 3.29Å; H177-R309 HydrophobicContact CB-CB 4.17Å | ||
| 178 | R | 58.4 | Low | 70.1 | Confident | 183 Ų | 183 | 70.4 Ų | 70.4 | 69% | 0.691 | 34% | 0.337 | S | S | * | . | trans | -78.9 | 139 | 174.6 | -134.9 | 171.3 | -170 | 166.4 | 2.5 | 109.4 | Q176 | Q176-R178 VanDerWaalsContact C-N 3.3Å; Q176-R178 PolarHBondContact O-N 3.48Å | ||
| 179 | S | 51.1 | Low | 69.8 | Low | 69 Ų | 69 | 63.2 Ų | 63.2 | 48% | 0.483 | 31% | 0.311 | S | S | . | . | trans | -55.3 | 146.8 | 178.2 | -171.9 | 0 | 0 | 0 | 0 | 111.4 | R181 | S179-R181 PolarHBondContact O-N 3.3Š| ||
| 180 | F | 51.4 | Low | 69.8 | Low | 107 Ų | 107 | 62.2 Ų | 62.2 | 47% | 0.469 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -17.7 | -16.9 | -179.6 | -169.9 | -101.4 | 0 | 0 | 0 | 121.3 | A182 L186 | F180-A182 VanDerWaalsContact C-N 3.34Å; F180-A182 PolarHBondContact O-N 2.97Å; F180-L186 HydrophobicContact CD2-CD1 4.45Å; F180-L186 HydrophobicContact CE2-CD1 4.39Å |
| 181 | R | 49.4 | Very low | 69.9 | Low | 247 Ų | 247 | 64.7 Ų | 64.7 | 93% | 0.932 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -4.7 | -171 | -146.8 | 172.4 | -169.5 | 164.8 | 2.6 | 115.3 | S179 | S179-R181 PolarHBondContact O-N 3.3Š|
| 182 | A | 52.9 | Low | 69.9 | Low | 46 Ų | 46 | 65.1 Ų | 65.1 | 38% | 0.38 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -124.3 | 113.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | F180 D184 | F180-A182 VanDerWaalsContact C-N 3.34Å; F180-A182 PolarHBondContact O-N 2.97Å; A182-D184 PolarHBondContact O-N 3.21Å |
| 183 | N | 55.9 | Low | 70 | Confident | 128 Ų | 128 | 65.3 Ų | 65.3 | 68% | 0.684 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -0.3 | -168.5 | -79.3 | -23.6 | 0 | 0 | 0 | 115.1 | ||
| 184 | D | 58.9 | Low | 70.2 | Confident | 88 Ų | 88 | 70.2 Ų | 70.2 | 47% | 0.471 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -86.2 | -30.4 | -165.1 | -49.1 | -44.8 | 0 | 0 | 0 | 113.2 | A182 F188 | A182-D184 PolarHBondContact O-N 3.21Å; D184-F188 WeakPolarHBondContact O-CD2 3.43Å; D184-F188 VanDerWaalsContact O-CE2 3.23Å; D184-F188 WeakPolarHBondContact O-CE2 3.24Å |
| 185 | S | 63.5 | Low | 70.7 | Confident | 8 Ų | 8 | 70 Ų | 70 | 6% | 0.056 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -75.4 | -31.8 | -178.7 | 64.8 | 0 | 0 | 0 | 0 | 114 | F175 M189 | F175-S185 VanDerWaalsContact CZ-CB 3.43Å; S185-M189 WeakPolarHBondContact O-CG 3.31Å; S185-M189 PolarHBondContact O-N 3.06Å |
| 186 | L | 69.2 | Low | 71.5 | Confident | 39 Ų | 39 | 69 Ų | 69 | 20% | 0.204 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71 | -34.9 | -175.8 | -171.5 | 153 | 0 | 0 | 0 | 111.1 | F180 M189 L190 V310 F311 | F180-L186 HydrophobicContact CD2-CD1 4.45Å; F180-L186 HydrophobicContact CE2-CD1 4.39Å; L186-M189 PolarHBondContact O-N 3.43Å; L186-L190 HydrophobicContact CD2-CD1 3.28Å; L186-L190 HydrophobicContact CD2-CG 3.75Å; L186-L190 HydrophobicContact CG-CD1 4.48Å; L186-L190 WeakPolarHBondContact O-CB 3.48Å; L186-L190 WeakPolarHBondContact O-CG 3.49Å; L186-L190 PolarHBondContact O-N 2.92Å; L186-V310 HydrophobicContact CD1-CG1 4.48Å; L186-F311 HydrophobicContact CD1-CE1 4.22Å; L186-F311 HydrophobicContact CD1-CE2 4.24Å; L186-F311 HydrophobicContact CD1-CZ 3.61Å; L186-F311 HydrophobicContact CG-CZ 4.37Å |
| 187 | G | 73.4 | Confident | 72.5 | Confident | 39 Ų | 39 | 70 Ų | 70 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | L190 L191 | G187-L190 PolarHBondContact O-N 3.49Å; G187-L191 VanDerWaalsContact O-CB 3.3Å; G187-L191 WeakPolarHBondContact O-CB 3.42Å; G187-L191 PolarHBondContact O-N 3.45Å |
| 188 | F | 74.7 | Confident | 73.9 | Confident | 43 Ų | 43 | 69.9 Ų | 69.9 | 19% | 0.189 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 178.4 | -67 | -72.1 | 0 | 0 | 0 | 112.4 | F107 M153 P156 P157 D184 L191 L192 | F107-F188 HydrophobicContact CZ-CB 4.36Å; F107-F188 HydrophobicContact CZ-CD1 4.42Å; M153-F188 WeakPolarHBondContact O-CE1 3.45Å; P156-F188 HydrophobicContact CB-CE1 4.45Å; P156-F188 HydrophobicContact CB-CZ 3.71Å; P156-F188 HydrophobicContact CG-CE1 4.12Å; P156-F188 HydrophobicContact CG-CZ 3.84Å; P157-F188 HydrophobicContact CG-CE2 4.16Å; P157-F188 HydrophobicContact CG-CZ 4.2Å; D184-F188 WeakPolarHBondContact O-CD2 3.43Å; D184-F188 VanDerWaalsContact O-CE2 3.23Å; D184-F188 WeakPolarHBondContact O-CE2 3.24Å; F188-L191 PolarHBondContact O-N 3Å; F188-L192 WeakPolarHBondContact O-CB 3.33Å; F188-L192 PolarHBondContact O-N 3.07Å |
| 189 | M | 78.1 | Confident | 75.7 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 11% | 0.108 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.1 | -46.2 | 178.8 | -65.8 | -60 | -59.5 | 0 | 0 | 111.4 | S185 L186 L191 L192 A193 L303 C306 Y307 | S185-M189 WeakPolarHBondContact O-CG 3.31Å; S185-M189 PolarHBondContact O-N 3.06Å; L186-M189 PolarHBondContact O-N 3.43Å; M189-L191 VanDerWaalsContact C-N 3.33Å; M189-L191 PolarHBondContact O-N 2.9Å; M189-L192 PolarHBondContact O-N 3.33Å; M189-A193 WeakPolarHBondContact O-CB 3.3Å; M189-A193 PolarHBondContact O-N 3.18Å; M189-L303 HydrophobicContact CE-CD2 3.79Å; M189-C306 HydrophobicContact CE-CB 3.2Å; M189-C306 HydrophobicContact SD-CB 4.05Å; M189-Y307 HydrophobicContact CB-CE1 4.3Å; M189-Y307 HydrophobicContact CB-CE2 4.22Å; M189-Y307 HydrophobicContact CE-CD2 4.13Å; M189-Y307 HydrophobicContact CE-CE2 4.07Å; M189-Y307 PolarHBondContact O-OH 2.89Å |
| 190 | L | 83.8 | Confident | 77.7 | Confident | 91 Ų | 91 | 59.3 Ų | 59.3 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.3 | -42.7 | 175.8 | -80.4 | -175.2 | 0 | 0 | 0 | 112.1 | L186 G187 A193 L194 Y307 | L186-L190 HydrophobicContact CD2-CD1 3.28Å; L186-L190 HydrophobicContact CD2-CG 3.75Å; L186-L190 HydrophobicContact CG-CD1 4.48Å; L186-L190 WeakPolarHBondContact O-CB 3.48Å; L186-L190 WeakPolarHBondContact O-CG 3.49Å; L186-L190 PolarHBondContact O-N 2.92Å; G187-L190 PolarHBondContact O-N 3.49Å; L190-A193 PolarHBondContact O-N 3.33Å; L190-L194 VanDerWaalsContact O-CB 3.24Å; L190-L194 WeakPolarHBondContact O-CB 3.41Å; L190-L194 PolarHBondContact O-N 3.05Å; L190-Y307 WeakPolarHBondContact CA-OH 3.4Å; L190-Y307 HydrophobicContact CD2-CE1 4.37Å; L190-Y307 PolarHBondContact N-OH 3.19Å; L190-Y307 VanDerWaalsContact N-OH 3.14Å |
| 191 | L | 86.1 | Confident | 79.8 | Confident | 51 Ų | 51 | 58.9 Ų | 58.9 | 27% | 0.267 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 178.6 | 179.8 | 65.6 | 0 | 0 | 0 | 111.1 | M153 G187 F188 M189 A193 L194 I195 | M153-L191 HydrophobicContact CE-CD2 3.41Å; M153-L191 VanDerWaalsContact CE-CD2 3.41Å; M153-L191 HydrophobicContact CG-CD2 4Å; M153-L191 HydrophobicContact SD-CD2 3.21Å; M153-L191 WeakPolarHBondContact SD-CD2 3.12Å; G187-L191 VanDerWaalsContact O-CB 3.3Å; G187-L191 WeakPolarHBondContact O-CB 3.42Å; G187-L191 PolarHBondContact O-N 3.45Å; F188-L191 PolarHBondContact O-N 3Å; M189-L191 VanDerWaalsContact C-N 3.33Å; M189-L191 PolarHBondContact O-N 2.9Å; L191-A193 PolarHBondContact O-N 3.42Å; L191-L194 PolarHBondContact O-N 3.25Å; L191-I195 HydrophobicContact CD1-CD1 4.03Å; L191-I195 HydrophobicContact CD1-CG1 4.32Å; L191-I195 HydrophobicContact CD2-CD1 4.44Å; L191-I195 HydrophobicContact CG-CD1 3.78Å; L191-I195 HydrophobicContact CG-CG1 4.5Å; L191-I195 WeakPolarHBondContact O-CD1 3.31Å; L191-I195 VanDerWaalsContact O-CG1 3.29Å; L191-I195 WeakPolarHBondContact O-CG1 3.41Å; L191-I195 PolarHBondContact O-N 3.38Å |
| 192 | L | 87.8 | Confident | 82 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60 | -46 | 176.7 | -176.4 | 55 | 0 | 0 | 0 | 111.1 | F107 A110 F188 M189 L194 I195 L196 L303 | F107-L192 HydrophobicContact CD1-CD1 4.27Å; F107-L192 HydrophobicContact CE1-CB 3.86Å; F107-L192 HydrophobicContact CE1-CD1 4.2Å; F107-L192 HydrophobicContact CE1-CG 4.47Å; F107-L192 HydrophobicContact CZ-CB 4.25Å; A110-L192 HydrophobicContact CB-CD1 3.75Å; F188-L192 WeakPolarHBondContact O-CB 3.33Å; F188-L192 PolarHBondContact O-N 3.07Å; M189-L192 PolarHBondContact O-N 3.33Å; L192-L194 VanDerWaalsContact C-N 3.34Å; L192-L194 PolarHBondContact O-N 2.86Å; L192-I195 PolarHBondContact O-N 3.49Å; L192-L196 HydrophobicContact CD1-CD1 4.44Å; L192-L196 HydrophobicContact CD1-CG 4.47Å; L192-L196 HydrophobicContact CG-CD1 4.41Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.3Å; L192-L196 PolarHBondContact O-N 3.45Å; L192-L303 HydrophobicContact CD2-CD2 3.55Å; L192-L303 HydrophobicContact CG-CD2 4.16Å |
| 193 | A | 90.4 | Very high | 84 | Confident | 33 Ų | 33 | 46.4 Ų | 46.4 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M189 L190 L191 L196 L197 Y307 | M189-A193 WeakPolarHBondContact O-CB 3.3Å; M189-A193 PolarHBondContact O-N 3.18Å; L190-A193 PolarHBondContact O-N 3.33Å; L191-A193 PolarHBondContact O-N 3.42Å; A193-L196 PolarHBondContact O-N 2.98Å; A193-L197 WeakPolarHBondContact O-CB 3.41Å; A193-L197 PolarHBondContact O-N 3.19Å; A193-Y307 HydrophobicContact CB-CE2 4.32Å; A193-Y307 WeakPolarHBondContact CB-OH 3.42Å |
| 194 | L | 92.4 | Very high | 85.8 | Confident | 107 Ų | 107 | 44.1 Ų | 44.1 | 56% | 0.56 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -65.4 | -42.7 | 178.5 | -178.9 | 142.4 | 0 | 0 | 0 | 111.9 | L190 L191 L192 L196 L197 A198 | L190-L194 VanDerWaalsContact O-CB 3.24Å; L190-L194 WeakPolarHBondContact O-CB 3.41Å; L190-L194 PolarHBondContact O-N 3.05Å; L191-L194 PolarHBondContact O-N 3.25Å; L192-L194 VanDerWaalsContact C-N 3.34Å; L192-L194 PolarHBondContact O-N 2.86Å; L194-L196 VanDerWaalsContact C-N 3.34Å; L194-L197 PolarHBondContact O-N 2.84Å; L194-A198 VanDerWaalsContact O-CB 3.23Å; L194-A198 WeakPolarHBondContact O-CB 3.5Å; L194-A198 PolarHBondContact O-N 3.42Å |
| 195 | I | 94.1 | Very high | 87.5 | Confident | 11 Ų | 11 | 45.5 Ų | 45.5 | 6% | 0.056 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.5 | -42.5 | 176.5 | -68 | 156.8 | 0 | 0 | 0 | 110.5 | A110 F111 F114 L191 L192 A198 T199 | A110-I195 HydrophobicContact CB-CG2 4.22Å; F111-I195 HydrophobicContact CD1-CD1 3.81Å; F111-I195 HydrophobicContact CD1-CG1 4.34Å; F111-I195 HydrophobicContact CD1-CG2 4.33Å; F111-I195 HydrophobicContact CE1-CD1 3.14Å; F111-I195 HydrophobicContact CE1-CG1 3.87Å; F111-I195 HydrophobicContact CE2-CD1 4.32Å; F111-I195 HydrophobicContact CZ-CD1 3.44Å; F111-I195 VanDerWaalsContact CZ-CD1 3.44Å; F114-I195 HydrophobicContact CB-CG2 4.27Å; L191-I195 HydrophobicContact CD1-CD1 4.03Å; L191-I195 HydrophobicContact CD1-CG1 4.32Å; L191-I195 HydrophobicContact CD2-CD1 4.44Å; L191-I195 HydrophobicContact CG-CD1 3.78Å; L191-I195 HydrophobicContact CG-CG1 4.5Å; L191-I195 WeakPolarHBondContact O-CD1 3.31Å; L191-I195 VanDerWaalsContact O-CG1 3.29Å; L191-I195 WeakPolarHBondContact O-CG1 3.41Å; L191-I195 PolarHBondContact O-N 3.38Å; L192-I195 PolarHBondContact O-N 3.49Å; I195-A198 PolarHBondContact O-N 2.94Å; I195-T199 WeakPolarHBondContact O-CB 3.43Å; I195-T199 PolarHBondContact O-N 2.97Å; I195-T199 PolarHBondContact O-OG1 3.39Å |
| 196 | L | 92.3 | Very high | 88.9 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.047 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 177.5 | -65.3 | 176.4 | 0 | 0 | 0 | 111.6 | A110 L192 A193 L194 T199 Q200 F295 L303 | A110-L196 HydrophobicContact CB-CD2 4.3Å; L192-L196 HydrophobicContact CD1-CD1 4.44Å; L192-L196 HydrophobicContact CD1-CG 4.47Å; L192-L196 HydrophobicContact CG-CD1 4.41Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.3Å; L192-L196 PolarHBondContact O-N 3.45Å; A193-L196 PolarHBondContact O-N 2.98Å; L194-L196 VanDerWaalsContact C-N 3.34Å; L196-T199 WeakPolarHBondContact O-CB 3.42Å; L196-T199 PolarHBondContact O-N 3.01Å; L196-Q200 WeakPolarHBondContact O-CG 3.35Å; L196-Q200 PolarHBondContact O-N 3.37Å; L196-F295 HydrophobicContact CD1-CE1 4.17Å; L196-F295 HydrophobicContact CD2-CD1 3.68Å; L196-F295 HydrophobicContact CD2-CE1 3.39Å; L196-F295 HydrophobicContact CG-CE1 4.4Å; L196-L303 HydrophobicContact CD1-CD1 3.46Å; L196-L303 VanDerWaalsContact CD1-CD1 3.46Å |
| 197 | L | 93.4 | Very high | 89.9 | Confident | 108 Ų | 108 | 47.5 Ų | 47.5 | 57% | 0.565 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -60 | -48.7 | 174.5 | -179.7 | 64.4 | 0 | 0 | 0 | 111.3 | A193 L194 T199 Q200 L201 | A193-L197 WeakPolarHBondContact O-CB 3.41Å; A193-L197 PolarHBondContact O-N 3.19Å; L194-L197 PolarHBondContact O-N 2.84Å; L197-T199 VanDerWaalsContact C-N 3.27Å; L197-T199 PolarHBondContact O-N 3.38Å; L197-Q200 WeakPolarHBondContact O-CB 3.45Å; L197-Q200 PolarHBondContact O-N 2.87Å; L197-L201 HydrophobicContact CG-CD1 4.33Å; L197-L201 WeakPolarHBondContact O-CG 3.11Å; L197-L201 PolarHBondContact O-N 3.45Å |
| 198 | A | 95.6 | Very high | 90.8 | Very high | 28 Ų | 28 | 51.9 Ų | 51.9 | 23% | 0.231 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.5 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F114 L194 I195 Q200 L201 V202 | F114-A198 HydrophobicContact CD2-CB 4.35Å; F114-A198 HydrophobicContact CE2-CB 4.03Å; L194-A198 VanDerWaalsContact O-CB 3.23Å; L194-A198 WeakPolarHBondContact O-CB 3.5Å; L194-A198 PolarHBondContact O-N 3.42Å; I195-A198 PolarHBondContact O-N 2.94Å; A198-Q200 PolarHBondContact O-N 3.34Å; A198-L201 PolarHBondContact O-N 3.15Å; A198-V202 WeakPolarHBondContact O-CG2 3.17Å; A198-V202 PolarHBondContact O-N 3.33Å |
| 199 | T | 95.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 175.5 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | F114 I195 L196 L197 V202 Y203 T292 | F114-T199 WeakPolarHBondContact CA-OG1 3.5Å; F114-T199 WeakPolarHBondContact CB-OG1 3.35Å; I195-T199 WeakPolarHBondContact O-CB 3.43Å; I195-T199 PolarHBondContact O-N 2.97Å; I195-T199 PolarHBondContact O-OG1 3.39Å; L196-T199 WeakPolarHBondContact O-CB 3.42Å; L196-T199 PolarHBondContact O-N 3.01Å; L197-T199 VanDerWaalsContact C-N 3.27Å; L197-T199 PolarHBondContact O-N 3.38Å; T199-V202 PolarHBondContact O-N 2.99Å; T199-Y203 HydrophobicContact CG2-CD2 4.07Å; T199-Y203 HydrophobicContact CG2-CE2 3.98Å; T199-Y203 WeakPolarHBondContact O-CD2 3.46Å; T199-Y203 PolarHBondContact O-N 3.4Å; T199-Y203 VanDerWaalsContact O-N 3.14Å; T199-T292 HydrophobicContact CG2-CG2 3.59Å |
| 200 | Q | 93.3 | Very high | 92.1 | Very high | 30 Ų | 30 | 52 Ų | 52 | 14% | 0.14 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 175.9 | -61.6 | -48.8 | -39.6 | 0 | 0 | 111.9 | L196 L197 A198 V202 Y203 L204 L296 | L196-Q200 WeakPolarHBondContact O-CG 3.35Å; L196-Q200 PolarHBondContact O-N 3.37Å; L197-Q200 WeakPolarHBondContact O-CB 3.45Å; L197-Q200 PolarHBondContact O-N 2.87Å; A198-Q200 PolarHBondContact O-N 3.34Å; Q200-V202 VanDerWaalsContact C-N 3.31Å; Q200-V202 PolarHBondContact O-N 3.43Å; Q200-Y203 PolarHBondContact O-N 2.99Å; Q200-Y203 VanDerWaalsContact O-N 3.16Å; Q200-L204 WeakPolarHBondContact O-CG 3.46Å; Q200-L204 PolarHBondContact O-N 2.81Å; Q200-L296 HydrophobicContact CG-CD2 4.2Å |
| 201 | L | 95.4 | Very high | 92.3 | Very high | 98 Ų | 98 | 52 Ų | 52 | 51% | 0.513 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 177.6 | -66.9 | 176.2 | 0 | 0 | 0 | 112.1 | L197 A198 L204 K205 | L197-L201 HydrophobicContact CG-CD1 4.33Å; L197-L201 WeakPolarHBondContact O-CG 3.11Å; L197-L201 PolarHBondContact O-N 3.45Å; A198-L201 PolarHBondContact O-N 3.15Å; L201-L204 HydrophobicContact CD2-CD1 4.47Å; L201-L204 PolarHBondContact O-N 2.98Å; L201-K205 WeakPolarHBondContact O-CB 3.34Å; L201-K205 PolarHBondContact O-N 3.42Å |
| 202 | V | 96.4 | Very high | 92.3 | Very high | 28 Ų | 28 | 53.7 Ų | 53.7 | 17% | 0.17 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.7 | -43 | 174.9 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | F114 S117 V118 A198 T199 Q200 K205 L206 | F114-V202 HydrophobicContact CE2-CG2 4.12Å; S117-V202 WeakPolarHBondContact OG-CG1 3.32Å; V118-V202 HydrophobicContact CG2-CG1 4.34Å; V118-V202 HydrophobicContact CG2-CG2 4.36Å; A198-V202 WeakPolarHBondContact O-CG2 3.17Å; A198-V202 PolarHBondContact O-N 3.33Å; T199-V202 PolarHBondContact O-N 2.99Å; Q200-V202 VanDerWaalsContact C-N 3.31Å; Q200-V202 PolarHBondContact O-N 3.43Å; V202-K205 WeakPolarHBondContact O-CB 3.19Å; V202-K205 PolarHBondContact O-N 3.25Å; V202-L206 PolarHBondContact O-N 2.87Å |
| 203 | Y | 93.6 | Very high | 92 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -67.9 | -39.2 | 176.6 | -84.6 | -62.9 | 0 | 0 | 0 | 113.1 | T199 Q200 K205 L206 I207 Y289 T292 | T199-Y203 HydrophobicContact CG2-CD2 4.07Å; T199-Y203 HydrophobicContact CG2-CE2 3.98Å; T199-Y203 WeakPolarHBondContact O-CD2 3.46Å; T199-Y203 PolarHBondContact O-N 3.4Å; T199-Y203 VanDerWaalsContact O-N 3.14Å; Q200-Y203 PolarHBondContact O-N 2.99Å; Q200-Y203 VanDerWaalsContact O-N 3.16Å; Y203-K205 VanDerWaalsContact C-N 3.35Å; Y203-L206 HydrophobicContact CD1-CD2 4.18Å; Y203-L206 HydrophobicContact CE1-CD2 4.44Å; Y203-L206 WeakPolarHBondContact O-CB 3.43Å; Y203-L206 PolarHBondContact O-N 3.43Å; Y203-I207 VanDerWaalsContact O-CG1 3.31Å; Y203-I207 WeakPolarHBondContact O-CG1 3.42Å; Y203-I207 PolarHBondContact O-N 2.88Å; Y203-Y289 AromaticContact CD1-CD2 3.67Å; Y203-Y289 HydrophobicContact CD1-CD2 3.67Å; Y203-Y289 HydrophobicContact CD1-CG 4.38Å; Y203-Y289 HydrophobicContact CD2-CD2 4.24Å; Y203-Y289 HydrophobicContact CE1-CD2 4.23Å; Y203-Y289 AromaticContact CG-CD2 3.68Å; Y203-Y289 HydrophobicContact CG-CD2 3.68Å; Y203-Y289 HydrophobicContact CG-CE2 4.32Å; Y203-T292 HydrophobicContact CD2-CG2 4.16Å; Y203-T292 HydrophobicContact CE2-CG2 3.78Å; Y203-T292 VanDerWaalsContact CE2-OG1 3.32Å; Y203-T292 WeakPolarHBondContact CE2-OG1 3.24Å; Y203-T292 PolarHBondContact OH-OG1 3.1Å |
| 204 | L | 93.6 | Very high | 91.5 | Very high | 81 Ų | 81 | 66.8 Ų | 66.8 | 42% | 0.424 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60 | -47.3 | 173.1 | -71.6 | 174 | 0 | 0 | 0 | 110.4 | Q200 L201 L206 I207 F208 | Q200-L204 WeakPolarHBondContact O-CG 3.46Å; Q200-L204 PolarHBondContact O-N 2.81Å; L201-L204 HydrophobicContact CD2-CD1 4.47Å; L201-L204 PolarHBondContact O-N 2.98Å; L204-L206 VanDerWaalsContact C-N 3.26Å; L204-L206 PolarHBondContact O-N 3.35Å; L204-I207 PolarHBondContact O-N 3.46Å; L204-I207 VanDerWaalsContact O-N 3.08Å; L204-F208 HydrophobicContact CB-CE2 4.42Å; L204-F208 WeakPolarHBondContact O-CD2 3.27Å; L204-F208 PolarHBondContact O-N 2.9Å |
| 205 | K | 94.6 | Very high | 90.5 | Very high | 117 Ų | 117 | 68.7 Ų | 68.7 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -55.7 | -41.9 | 174 | -169.9 | -169.3 | -173.5 | -170.8 | 0 | 111.8 | Y121 L201 V202 Y203 F209 | Y121-K205 HydrophobicContact CD2-CD 4.49Å; Y121-K205 HydrophobicContact CE2-CD 3.86Å; Y121-K205 HydrophobicContact CE2-CG 4.05Å; Y121-K205 WeakPolarHBondContact OH-CE 3.42Å; Y121-K205 PolarHBondContact OH-NZ 3.33Å; Y121-K205 VanDerWaalsContact OH-NZ 3.11Å; L201-K205 WeakPolarHBondContact O-CB 3.34Å; L201-K205 PolarHBondContact O-N 3.42Å; V202-K205 WeakPolarHBondContact O-CB 3.19Å; V202-K205 PolarHBondContact O-N 3.25Å; Y203-K205 VanDerWaalsContact C-N 3.35Å; K205-F209 VanDerWaalsContact O-CB 3.29Å; K205-F209 WeakPolarHBondContact O-CB 3.25Å; K205-F209 PolarHBondContact O-N 3.38Å |
| 206 | L | 92.7 | Very high | 89.1 | Confident | 11 Ų | 11 | 73 Ų | 73 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.9 | -44.9 | 175.4 | 176 | 58.8 | 0 | 0 | 0 | 112.1 | R120 Y121 I124 V202 Y203 L204 F209 V210 | R120-L206 HydrophobicContact CB-CD2 4.33Å; Y121-L206 HydrophobicContact CD2-CB 4.22Å; Y121-L206 HydrophobicContact CD2-CD1 4.27Å; I124-L206 HydrophobicContact CB-CD1 3.85Å; I124-L206 HydrophobicContact CD1-CD1 3.82Å; I124-L206 HydrophobicContact CD1-CD2 4.31Å; I124-L206 HydrophobicContact CG1-CD1 4.38Å; I124-L206 HydrophobicContact CG2-CD1 3.9Å; V202-L206 PolarHBondContact O-N 2.87Å; Y203-L206 HydrophobicContact CD1-CD2 4.18Å; Y203-L206 HydrophobicContact CE1-CD2 4.44Å; Y203-L206 WeakPolarHBondContact O-CB 3.43Å; Y203-L206 PolarHBondContact O-N 3.43Å; L204-L206 VanDerWaalsContact C-N 3.26Å; L204-L206 PolarHBondContact O-N 3.35Å; L206-F209 PolarHBondContact O-N 2.93Å; L206-V210 HydrophobicContact CD1-CG2 4.14Å; L206-V210 WeakPolarHBondContact O-CG2 3.46Å; L206-V210 PolarHBondContact O-N 2.81Å |
| 207 | I | 91.5 | Very high | 87.4 | Confident | 78 Ų | 78 | 81.7 Ų | 81.7 | 40% | 0.4 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.1 | -48 | -180 | -69.3 | 165.3 | 0 | 0 | 0 | 110.4 | Y203 L204 F209 V210 H211 Y289 | Y203-I207 VanDerWaalsContact O-CG1 3.31Å; Y203-I207 WeakPolarHBondContact O-CG1 3.42Å; Y203-I207 PolarHBondContact O-N 2.88Å; L204-I207 PolarHBondContact O-N 3.46Å; L204-I207 VanDerWaalsContact O-N 3.08Å; I207-F209 PolarHBondContact O-N 3.48Å; I207-V210 PolarHBondContact O-N 3.35Å; I207-H211 WeakPolarHBondContact O-CB 3.45Å; I207-H211 PolarHBondContact O-N 3.39Å; I207-Y289 HydrophobicContact CD1-CE2 4.02Å |
| 208 | F | 92.2 | Very high | 85.7 | Confident | 130 Ų | 130 | 82.1 Ų | 82.1 | 57% | 0.57 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -59.3 | -47.2 | 176 | -75.8 | -64 | 0 | 0 | 0 | 111.5 | L204 V210 H211 D212 | L204-F208 HydrophobicContact CB-CE2 4.42Å; L204-F208 WeakPolarHBondContact O-CD2 3.27Å; L204-F208 PolarHBondContact O-N 2.9Å; F208-V210 VanDerWaalsContact C-N 3.31Å; F208-V210 PolarHBondContact O-N 3.46Å; F208-H211 WeakPolarHBondContact O-CB 3.04Å; F208-H211 PolarHBondContact O-N 2.94Å; F208-H211 VanDerWaalsContact O-N 3.07Å; F208-D212 PolarHBondContact O-N 2.93Å |
| 209 | F | 90.9 | Very high | 83.8 | Confident | 48 Ų | 48 | 86 Ų | 86 | 21% | 0.211 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -56.9 | -43.7 | 176.5 | 179.3 | -92.9 | 0 | 0 | 0 | 112.5 | I124 A125 K205 L206 I207 R213 | I124-F209 HydrophobicContact CG2-CD1 4.12Å; I124-F209 HydrophobicContact CG2-CE1 4.1Å; A125-F209 VanDerWaalsContact CA-CE1 3.49Å; A125-F209 HydrophobicContact CB-CD1 4.08Å; A125-F209 HydrophobicContact CB-CD2 4.39Å; A125-F209 HydrophobicContact CB-CE1 3.75Å; A125-F209 HydrophobicContact CB-CE2 4.06Å; A125-F209 HydrophobicContact CB-CG 4.39Å; A125-F209 HydrophobicContact CB-CZ 3.73Å; K205-F209 VanDerWaalsContact O-CB 3.29Å; K205-F209 WeakPolarHBondContact O-CB 3.25Å; K205-F209 PolarHBondContact O-N 3.38Å; L206-F209 PolarHBondContact O-N 2.93Å; I207-F209 PolarHBondContact O-N 3.48Å; F209-R213 HydrophobicContact CD1-CG 4.36Å; F209-R213 HydrophobicContact CE1-CG 4.02Å; F209-R213 HydrophobicContact CZ-CG 4.16Å; F209-R213 VanDerWaalsContact CZ-NE 3.31Å; F209-R213 WeakPolarHBondContact O-CB 3.3Å; F209-R213 WeakPolarHBondContact O-CG 3.35Å; F209-R213 PolarHBondContact O-N 3.15Å |
| 210 | V | 88.4 | Confident | 81.3 | Confident | 20 Ų | 20 | 94.3 Ų | 94.3 | 12% | 0.121 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -67.7 | -38.4 | 177.2 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | I124 L206 I207 F208 R213 R214 | I124-V210 HydrophobicContact CG2-CG2 3.78Å; L206-V210 HydrophobicContact CD1-CG2 4.14Å; L206-V210 WeakPolarHBondContact O-CG2 3.46Å; L206-V210 PolarHBondContact O-N 2.81Å; I207-V210 PolarHBondContact O-N 3.35Å; F208-V210 VanDerWaalsContact C-N 3.31Å; F208-V210 PolarHBondContact O-N 3.46Å; V210-R213 PolarHBondContact O-N 3.12Å; V210-R214 WeakPolarHBondContact O-CG 3.31Å; V210-R214 PolarHBondContact O-N 3.02Å; V210-R214 VanDerWaalsContact O-N 3.14Å |
| 211 | H | 88.1 | Confident | 79.2 | Confident | 92 Ų | 92 | 99.9 Ų | 99.9 | 43% | 0.426 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.4 | -46.8 | 178.6 | -175.9 | 82.9 | 0 | 0 | 0 | 111.4 | I207 F208 R213 R214 K215 | I207-H211 WeakPolarHBondContact O-CB 3.45Å; I207-H211 PolarHBondContact O-N 3.39Å; F208-H211 WeakPolarHBondContact O-CB 3.04Å; F208-H211 PolarHBondContact O-N 2.94Å; F208-H211 VanDerWaalsContact O-N 3.07Å; H211-R213 VanDerWaalsContact C-N 3.3Å; H211-R213 PolarHBondContact O-N 3.08Å; H211-R214 WeakPolarHBondContact O-CB 3.37Å; H211-R214 PolarHBondContact O-N 3.5Å; H211-K215 WeakPolarHBondContact NE2-CE 3.41Å; H211-K215 PolarHBondContact NE2-NZ 2.97Å; H211-K215 PolarHBondContact O-N 3.32Å |
| 212 | D | 86.5 | Confident | 76.8 | Confident | 86 Ų | 86 | 100.8 Ų | 100.8 | 46% | 0.46 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 178 | -68.7 | -17.5 | 0 | 0 | 0 | 111.8 | F208 R214 K215 | F208-D212 PolarHBondContact O-N 2.93Å; D212-R214 VanDerWaalsContact C-N 3.3Å; D212-R214 PolarHBondContact O-N 3.19Å; D212-K215 PolarHBondContact O-N 3.43Å |
| 213 | R | 81.9 | Confident | 74.5 | Confident | 135 Ų | 135 | 104.4 Ų | 104.4 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.2 | -23.6 | 175 | -68.8 | -92.9 | -177.8 | -147.7 | 1.5 | 113.7 | F209 V210 H211 K215 M216 | F209-R213 HydrophobicContact CD1-CG 4.36Å; F209-R213 HydrophobicContact CE1-CG 4.02Å; F209-R213 HydrophobicContact CZ-CG 4.16Å; F209-R213 VanDerWaalsContact CZ-NE 3.31Å; F209-R213 WeakPolarHBondContact O-CB 3.3Å; F209-R213 WeakPolarHBondContact O-CG 3.35Å; F209-R213 PolarHBondContact O-N 3.15Å; V210-R213 PolarHBondContact O-N 3.12Å; H211-R213 VanDerWaalsContact C-N 3.3Å; H211-R213 PolarHBondContact O-N 3.08Å; R213-K215 VanDerWaalsContact C-N 3.32Å; R213-M216 HydrophobicContact CB-CE 4.48Å; R213-M216 HydrophobicContact CG-CE 4Å; R213-M216 PolarHBondContact O-N 2.66Å |
| 214 | R | 79.9 | Confident | 72.1 | Confident | 183 Ų | 183 | 109.4 Ų | 109.4 | 69% | 0.691 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -73.5 | -25.7 | 173.6 | -73.1 | -179.6 | -158.7 | -124.8 | 10.2 | 112.4 | V210 H211 D212 M216 | V210-R214 WeakPolarHBondContact O-CG 3.31Å; V210-R214 PolarHBondContact O-N 3.02Å; V210-R214 VanDerWaalsContact O-N 3.14Å; H211-R214 WeakPolarHBondContact O-CB 3.37Å; H211-R214 PolarHBondContact O-N 3.5Å; D212-R214 VanDerWaalsContact C-N 3.3Å; D212-R214 PolarHBondContact O-N 3.19Å; R214-M216 PolarHBondContact O-N 3.08Å |
| 215 | K | 70.5 | Confident | 70 | Confident | 146 Ų | 146 | 110.8 Ų | 110.8 | 64% | 0.635 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -75.6 | -14.2 | 176.7 | -63.7 | 180 | 179.7 | 169.2 | 0 | 112.7 | H211 D212 R213 K217 | H211-K215 WeakPolarHBondContact NE2-CE 3.41Å; H211-K215 PolarHBondContact NE2-NZ 2.97Å; H211-K215 PolarHBondContact O-N 3.32Å; D212-K215 PolarHBondContact O-N 3.43Å; R213-K215 VanDerWaalsContact C-N 3.32Å; K215-K217 PolarHBondContact O-N 3.37Å |
| 216 | M | 65.6 | Low | 67.6 | Low | 103 Ų | 103 | 107.6 Ų | 107.6 | 51% | 0.507 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -72.1 | 124.3 | 176.4 | -60 | -178.4 | -164.4 | 0 | 0 | 110 | R213 R214 | R213-M216 HydrophobicContact CB-CE 4.48Å; R213-M216 HydrophobicContact CG-CE 4Å; R213-M216 PolarHBondContact O-N 2.66Å; R214-M216 PolarHBondContact O-N 3.08Å |
| 217 | K | 55 | Low | 65.4 | Low | 190 Ų | 190 | 115.8 Ų | 115.8 | 83% | 0.826 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 142.6 | 170.3 | -65.2 | -175.9 | -179.2 | -178 | 0 | 109.1 | K215 V219 | K215-K217 PolarHBondContact O-N 3.37Å; K217-V219 PolarHBondContact O-N 3.38Å |
| 218 | P | 59.7 | Low | 63 | Low | 118 Ų | 118 | 118.8 Ų | 118.8 | 77% | 0.766 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 132.5 | 175.1 | 23.2 | -31.9 | 0 | 0 | 0 | 109 | Q220 | P218-Q220 PolarHBondContact O-N 2.8Š|
| 219 | V | 54 | Low | 60.9 | Low | 109 Ų | 109 | 122.3 Ų | 122.3 | 66% | 0.661 | 62% | 0.616 | S | S | * | * | trans | -58.6 | 105.7 | 177.9 | 175.6 | 0 | 0 | 0 | 0 | 108 | K217 F221 | K217-V219 PolarHBondContact O-N 3.38Å; V219-F221 HydrophobicContact CB-CE2 4.28Å; V219-F221 HydrophobicContact CB-CZ 4.43Å; V219-F221 HydrophobicContact CG1-CD1 4.26Å; V219-F221 HydrophobicContact CG1-CD2 4.25Å; V219-F221 HydrophobicContact CG1-CE1 4.01Å; V219-F221 HydrophobicContact CG1-CE2 4.01Å; V219-F221 HydrophobicContact CG1-CG 4.38Å; V219-F221 HydrophobicContact CG1-CZ 3.88Å; V219-F221 WeakPolarHBondContact O-CD2 3.26Å; V219-F221 PolarHBondContact O-N 2.98Å | ||
| 220 | Q | 44.2 | Very low | 58.7 | Low | 175 Ų | 175 | 125.4 Ų | 125.4 | 82% | 0.818 | 64% | 0.64 | S | S | * | * | trans | -72.7 | 104.3 | 167.2 | -85.4 | 177.3 | -37.1 | 0 | 0 | 106.7 | P218 V222 | P218-Q220 PolarHBondContact O-N 2.8Å; Q220-V222 VanDerWaalsContact C-N 3.31Å; Q220-V222 PolarHBondContact O-N 3.29Å | ||
| 221 | F | 49.3 | Very low | 56.4 | Low | 148 Ų | 148 | 132 Ų | 132 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | trans | -71.1 | 94.9 | 169.4 | -67.6 | -82 | 0 | 0 | 0 | 107.4 | V219 | V219-F221 HydrophobicContact CB-CE2 4.28Å; V219-F221 HydrophobicContact CB-CZ 4.43Å; V219-F221 HydrophobicContact CG1-CD1 4.26Å; V219-F221 HydrophobicContact CG1-CD2 4.25Å; V219-F221 HydrophobicContact CG1-CE1 4.01Å; V219-F221 HydrophobicContact CG1-CE2 4.01Å; V219-F221 HydrophobicContact CG1-CG 4.38Å; V219-F221 HydrophobicContact CG1-CZ 3.88Å; V219-F221 WeakPolarHBondContact O-CD2 3.26Å; V219-F221 PolarHBondContact O-N 2.98Å | ||
| 222 | V | 44.3 | Very low | 54.3 | Low | 117 Ų | 117 | 136 Ų | 136 | 71% | 0.709 | 69% | 0.685 | S | S | * | * | trans | -61.6 | 126.4 | 163.2 | -175 | 0 | 0 | 0 | 0 | 106 | Q220 A224 | Q220-V222 VanDerWaalsContact C-N 3.31Å; Q220-V222 PolarHBondContact O-N 3.29Å; V222-A224 PolarHBondContact O-N 3.13Å | ||
| 223 | P | 47.3 | Very low | 52.1 | Low | 103 Ų | 103 | 133.5 Ų | 133.5 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | trans | -53.5 | 139.1 | 173.3 | 22.6 | -31.3 | 0 | 0 | 0 | 108.3 | V225 | P223-V225 VanDerWaalsContact C-N 3.34Å; P223-V225 PolarHBondContact O-N 2.92Å | ||
| 224 | A | 44.4 | Very low | 50.3 | Low | 107 Ų | 107 | 134.2 Ų | 134.2 | 88% | 0.884 | 70% | 0.702 | S | S | * | * | trans | -61.9 | 98.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | V222 S226 | V222-A224 PolarHBondContact O-N 3.13Å; A224-S226 PolarHBondContact O-N 3.19Å | ||
| 225 | V | 48.3 | Very low | 48.9 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 67% | 0.673 | 69% | 0.688 | S | S | * | * | trans | -88.8 | 100.6 | 172.1 | -178.7 | 0 | 0 | 0 | 0 | 106.1 | P223 Q227 | P223-V225 VanDerWaalsContact C-N 3.34Å; P223-V225 PolarHBondContact O-N 2.92Å; V225-Q227 PolarHBondContact O-N 3.01Å | ||
| 226 | S | 45.1 | Very low | 47.9 | Very low | 50 Ų | 50 | 124 Ų | 124 | 35% | 0.35 | 69% | 0.688 | S | S | . | * | trans | -59.9 | 122.6 | 163 | 145.6 | 0 | 0 | 0 | 0 | 107.8 | A224 N228 W229 | A224-S226 PolarHBondContact O-N 3.19Å; S226-N228 VanDerWaalsContact C-N 3.31Å; S226-N228 PolarHBondContact OG-N 3.39Å; S226-W229 PolarHBondContact O-NE1 2.94Å; S226-W229 VanDerWaalsContact O-NE1 3.12Å; S226-W229 VanDerWaalsContact OG-CD1 3.31Å; S226-W229 PolarHBondContact OG-NE1 3.01Å | ||
| 227 | Q | 47.2 | Very low | 47.2 | Very low | 183 Ų | 183 | 122 Ų | 122 | 86% | 0.855 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -81.4 | -12.1 | 173.1 | -73.6 | -169.7 | -31.6 | 0 | 0 | 112.6 | V225 | V225-Q227 PolarHBondContact O-N 3.01Š|
| 228 | N | 41.2 | Very low | 47.1 | Very low | 140 Ų | 140 | 115 Ų | 115 | 75% | 0.749 | 67% | 0.666 | S | S | * | * | trans | -119.2 | 60.9 | -174.9 | -67.4 | -0.2 | 0 | 0 | 0 | 111.7 | S226 T230 | S226-N228 VanDerWaalsContact C-N 3.31Å; S226-N228 PolarHBondContact OG-N 3.39Å; N228-T230 PolarHBondContact O-N 3.43Å; N228-T230 VanDerWaalsContact O-N 3.09Å | ||
| 229 | W | 48.2 | Very low | 47 | Very low | 204 Ų | 204 | 115.9 Ų | 115.9 | 77% | 0.773 | 66% | 0.66 | S | S | * | * | trans | -77.8 | 85.4 | 167.3 | -67.2 | 92.5 | 0 | 0 | 0 | 110.1 | S226 | S226-W229 PolarHBondContact O-NE1 2.94Å; S226-W229 VanDerWaalsContact O-NE1 3.12Å; S226-W229 VanDerWaalsContact OG-CD1 3.31Å; S226-W229 PolarHBondContact OG-NE1 3.01Å | ||
| 230 | T | 43.5 | Very low | 47.1 | Very low | 114 Ų | 114 | 113.2 Ų | 113.2 | 70% | 0.699 | 65% | 0.649 | S | S | * | * | trans | -103.6 | 73.7 | 163 | 52.2 | 0 | 0 | 0 | 0 | 109 | N228 | N228-T230 PolarHBondContact O-N 3.43Å; N228-T230 VanDerWaalsContact O-N 3.09Å | ||
| 231 | F | 39.6 | Very low | 47.8 | Very low | 157 Ų | 157 | 105.6 Ų | 105.6 | 69% | 0.689 | 62% | 0.616 | S | S | * | * | trans | -97.8 | 100.1 | 168.2 | -174 | -97 | 0 | 0 | 0 | 108.3 | ||||
| 232 | H | 44.5 | Very low | 48.4 | Very low | 177 Ų | 177 | 101 Ų | 101 | 82% | 0.819 | 61% | 0.606 | S | S | * | * | trans | -95.8 | 99.4 | 176.4 | -70.3 | -84 | 0 | 0 | 0 | 109.6 | ||||
| 233 | G | 41.3 | Very low | 49.2 | Very low | 34 Ų | 34 | 99.6 Ų | 99.6 | 35% | 0.351 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -166.4 | 157.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G235 | G233-G235 VanDerWaalsContact C-N 3.32Å; G233-G235 PolarHBondContact O-N 2.94Å |
| 234 | P | 43.1 | Very low | 49.9 | Very low | 150 Ų | 150 | 99.2 Ų | 99.2 | 97% | 0.974 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -73.2 | 87.1 | -176.3 | -1.9 | 19.1 | 0 | 0 | 0 | 109.3 | ||
| 235 | G | 50.5 | Low | 50.7 | Low | 38 Ų | 38 | 100.1 Ų | 100.1 | 39% | 0.392 | 57% | 0.569 | S | S | . | * | trans | 156.1 | 46.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G233 S237 | G233-G235 VanDerWaalsContact C-N 3.32Å; G233-G235 PolarHBondContact O-N 2.94Å; G235-S237 WeakPolarHBondContact O-CB 3.4Å; G235-S237 PolarHBondContact O-N 3.43Å; G235-S237 PolarHBondContact O-OG 3.27Å | ||
| 236 | A | 49.1 | Very low | 51.5 | Low | 76 Ų | 76 | 97.9 Ų | 97.9 | 63% | 0.628 | 56% | 0.562 | S | S | * | * | trans | -61.4 | 51.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G238 | A236-G238 PolarHBondContact O-N 2.96Å; A236-G238 VanDerWaalsContact O-N 3.08Å | ||
| 237 | S | 52.1 | Low | 52.1 | Low | 61 Ų | 61 | 98.7 Ų | 98.7 | 43% | 0.427 | 58% | 0.578 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.1 | 25.5 | -164.1 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | G235 T256 | G235-S237 WeakPolarHBondContact O-CB 3.4Å; G235-S237 PolarHBondContact O-N 3.43Å; G235-S237 PolarHBondContact O-OG 3.27Å; S237-T256 WeakPolarHBondContact O-CB 3.35Å; S237-T256 WeakPolarHBondContact O-CG2 2.99Å; S237-T256 PolarHBondContact O-OG1 2.97Å; S237-T256 WeakPolarHBondContact OG-CG2 3.14Å |
| 238 | G | 52.6 | Low | 52.8 | Low | 44 Ų | 44 | 98 Ų | 98 | 45% | 0.454 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.1 | -41.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A236 A240 A241 A242 | A236-G238 PolarHBondContact O-N 2.96Å; A236-G238 VanDerWaalsContact O-N 3.08Å; G238-A240 VanDerWaalsContact C-N 3.31Å; G238-A240 PolarHBondContact O-N 3.25Å; G238-A241 PolarHBondContact O-N 3.09Å; G238-A241 VanDerWaalsContact O-N 3.13Å; G238-A242 WeakPolarHBondContact O-CB 3.37Å; G238-A242 PolarHBondContact O-N 3.16Å |
| 239 | Q | 56.6 | Low | 53.5 | Low | 135 Ų | 135 | 93 Ų | 93 | 63% | 0.631 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.3 | -40.7 | 178.2 | -115.2 | 86 | -10.6 | 0 | 0 | 111.9 | A241 A242 N243 | Q239-A241 VanDerWaalsContact C-N 3.32Å; Q239-A241 PolarHBondContact O-N 3.46Å; Q239-A242 PolarHBondContact O-N 3.17Å; Q239-N243 VanDerWaalsContact O-CB 3.29Å; Q239-N243 WeakPolarHBondContact O-CB 3.37Å; Q239-N243 VanDerWaalsContact O-CG 3.22Å; Q239-N243 PolarHBondContact O-N 2.89Å |
| 240 | A | 56.4 | Low | 53.7 | Low | 54 Ų | 54 | 95.9 Ų | 95.9 | 45% | 0.446 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63 | -39.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | G238 W244 | G238-A240 VanDerWaalsContact C-N 3.31Å; G238-A240 PolarHBondContact O-N 3.25Å; A240-W244 VanDerWaalsContact O-CB 3.27Å; A240-W244 WeakPolarHBondContact O-CB 3.46Å; A240-W244 PolarHBondContact O-N 3.46Å |
| 241 | A | 60 | Low | 54.4 | Low | 14 Ų | 14 | 92.5 Ų | 92.5 | 12% | 0.116 | 55% | 0.553 | C | S | . | * | H | α-helix | trans | -70.8 | -39.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G238 Q239 W244 L245 P254 L257 | G238-A241 PolarHBondContact O-N 3.09Å; G238-A241 VanDerWaalsContact O-N 3.13Å; Q239-A241 VanDerWaalsContact C-N 3.32Å; Q239-A241 PolarHBondContact O-N 3.46Å; A241-W244 PolarHBondContact O-N 2.71Å; A241-L245 WeakPolarHBondContact O-CB 3.36Å; A241-L245 VanDerWaalsContact O-CG 3.31Å; A241-L245 WeakPolarHBondContact O-CG 3.28Å; A241-L245 PolarHBondContact O-N 2.81Å; A241-P254 HydrophobicContact CB-CG 4.45Å; A241-L257 HydrophobicContact CB-CD1 3.9Å; A241-L257 HydrophobicContact CB-CG 4.21Å |
| 242 | A | 60.7 | Low | 55.1 | Low | 53 Ų | 53 | 91.1 Ų | 91.1 | 44% | 0.438 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.2 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G238 Q239 L245 A246 | G238-A242 WeakPolarHBondContact O-CB 3.37Å; G238-A242 PolarHBondContact O-N 3.16Å; Q239-A242 PolarHBondContact O-N 3.17Å; A242-L245 PolarHBondContact O-N 3.08Å; A242-A246 WeakPolarHBondContact O-CB 3.46Å; A242-A246 PolarHBondContact O-N 3.11Å |
| 243 | N | 62.1 | Low | 55.6 | Low | 87 Ų | 87 | 85.8 Ų | 85.8 | 47% | 0.465 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.1 | -35 | 176.6 | -71.2 | -10.4 | 0 | 0 | 0 | 112 | Q239 A246 G247 F248 | Q239-N243 VanDerWaalsContact O-CB 3.29Å; Q239-N243 WeakPolarHBondContact O-CB 3.37Å; Q239-N243 VanDerWaalsContact O-CG 3.22Å; Q239-N243 PolarHBondContact O-N 2.89Å; N243-A246 PolarHBondContact O-N 3.35Å; N243-G247 PolarHBondContact O-N 3.45Å; N243-F248 PolarHBondContact O-N 2.92Å |
| 244 | W | 61.4 | Low | 56.2 | Low | 95 Ų | 95 | 85.1 Ų | 85.1 | 36% | 0.36 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 173.3 | -163.4 | 95.5 | 0 | 0 | 0 | 111.4 | A240 A241 A246 G247 G251 T253 L257 | A240-W244 VanDerWaalsContact O-CB 3.27Å; A240-W244 WeakPolarHBondContact O-CB 3.46Å; A240-W244 PolarHBondContact O-N 3.46Å; A241-W244 PolarHBondContact O-N 2.71Å; W244-A246 VanDerWaalsContact C-N 3.29Å; W244-A246 PolarHBondContact O-N 3.02Å; W244-G247 PolarHBondContact O-N 3.4Å; W244-G247 VanDerWaalsContact O-N 3.13Å; W244-G251 PolarHBondContact NE1-O 3Å; W244-T253 HydrophobicContact CH2-CG2 3.73Å; W244-T253 HydrophobicContact CZ2-CG2 3.39Å; W244-T253 HydrophobicContact CZ3-CG2 4.46Å; W244-L257 HydrophobicContact CE3-CD1 4.09Å |
| 245 | L | 61.5 | Low | 56.7 | Low | 126 Ų | 126 | 83.2 Ų | 83.2 | 66% | 0.66 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -31.3 | 174.5 | -75.4 | 168.3 | 0 | 0 | 0 | 113.3 | A241 A242 G247 | A241-L245 WeakPolarHBondContact O-CB 3.36Å; A241-L245 VanDerWaalsContact O-CG 3.31Å; A241-L245 WeakPolarHBondContact O-CG 3.28Å; A241-L245 PolarHBondContact O-N 2.81Å; A242-L245 PolarHBondContact O-N 3.08Å; L245-G247 PolarHBondContact O-N 3.32Å |
| 246 | A | 65.5 | Low | 56.9 | Low | 64 Ų | 64 | 83.6 Ų | 83.6 | 53% | 0.529 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 4.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | A242 N243 W244 F248 | A242-A246 WeakPolarHBondContact O-CB 3.46Å; A242-A246 PolarHBondContact O-N 3.11Å; N243-A246 PolarHBondContact O-N 3.35Å; W244-A246 VanDerWaalsContact C-N 3.29Å; W244-A246 PolarHBondContact O-N 3.02Å; A246-F248 HydrophobicContact CB-CD2 3.78Å; A246-F248 HydrophobicContact CB-CE2 3.93Å |
| 247 | G | 57.9 | Low | 57 | Low | 66 Ų | 66 | 82 Ų | 82 | 68% | 0.68 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.5 | 6.6 | 173 | 0 | 0 | 0 | 0 | 0 | 115.5 | N243 W244 L245 G249 | N243-G247 PolarHBondContact O-N 3.45Å; W244-G247 PolarHBondContact O-N 3.4Å; W244-G247 VanDerWaalsContact O-N 3.13Å; L245-G247 PolarHBondContact O-N 3.32Å; G247-G249 VanDerWaalsContact C-N 3.34Å |
| 248 | F | 61.8 | Low | 56.9 | Low | 168 Ų | 168 | 84.6 Ų | 84.6 | 74% | 0.737 | 50% | 0.501 | S | S | * | . | trans | -86.4 | -1 | 179.1 | -63 | -77.7 | 0 | 0 | 0 | 113.7 | N243 A246 R250 | N243-F248 PolarHBondContact O-N 2.92Å; A246-F248 HydrophobicContact CB-CD2 3.78Å; A246-F248 HydrophobicContact CB-CE2 3.93Å; F248-R250 PolarHBondContact O-N 3.09Å | ||
| 249 | G | 56.1 | Low | 56.7 | Low | 37 Ų | 37 | 86 Ų | 86 | 38% | 0.381 | 52% | 0.515 | S | S | . | . | trans | -89.2 | 101.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G247 | G247-G249 VanDerWaalsContact C-N 3.34Š| ||
| 250 | R | 51.9 | Low | 56.4 | Low | 263 Ų | 263 | 85 Ų | 85 | 99% | 0.992 | 51% | 0.513 | S | S | * | . | trans | -93 | 85.6 | 158.7 | -74.2 | -166.8 | 176 | 172.3 | 0.5 | 109.2 | F248 | F248-R250 PolarHBondContact O-N 3.09Š| ||
| 251 | G | 57.3 | Low | 55.8 | Low | 44 Ų | 44 | 92.8 Ų | 92.8 | 45% | 0.454 | 53% | 0.531 | S | S | . | . | S | Bend | trans | 170.2 | 168.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | W244 | W244-G251 PolarHBondContact NE1-O 3Š|
| 252 | P | 54.5 | Low | 55.5 | Low | 128 Ų | 128 | 99.5 Ų | 99.5 | 83% | 0.831 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -60.9 | 148.1 | -179.6 | 24 | -31.5 | 0 | 0 | 0 | 112 | ||
| 253 | T | 54.4 | Low | 55 | Low | 65 Ų | 65 | 102.2 Ų | 102.2 | 40% | 0.399 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 130.7 | -175.3 | 46.8 | 0 | 0 | 0 | 0 | 112 | W244 | W244-T253 HydrophobicContact CH2-CG2 3.73Å; W244-T253 HydrophobicContact CZ2-CG2 3.39Å; W244-T253 HydrophobicContact CZ3-CG2 4.46Å |
| 254 | P | 55.3 | Low | 54.5 | Low | 20 Ų | 20 | 101.8 Ų | 101.8 | 13% | 0.13 | 57% | 0.571 | C | S | . | * | P | Polyproline II helix | trans | -65.4 | 145.1 | -178.7 | 24.6 | -32 | 0 | 0 | 0 | 111.7 | A241 T256 L257 | A241-P254 HydrophobicContact CB-CG 4.45Å; P254-T256 PolarHBondContact O-N 3.22Å; P254-T256 VanDerWaalsContact O-N 3.11Å; P254-L257 HydrophobicContact CG-CD1 4.02Å; P254-L257 WeakPolarHBondContact O-CB 3.38Å; P254-L257 PolarHBondContact O-N 3.46Å |
| 255 | P | 53.6 | Low | 54.3 | Low | 109 Ų | 109 | 103.1 Ų | 103.1 | 71% | 0.708 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.4 | -22.8 | -172.7 | 20.9 | -30.9 | 0 | 0 | 0 | 114.3 | L257 L258 | P255-L257 VanDerWaalsContact C-N 3.27Å; P255-L257 PolarHBondContact O-N 2.94Å; P255-L258 PolarHBondContact O-N 3.43Å |
| 256 | T | 54.4 | Low | 54.1 | Low | 46 Ų | 46 | 99.3 Ų | 99.3 | 28% | 0.282 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.5 | -25.5 | 172.8 | 44.4 | 0 | 0 | 0 | 0 | 113.7 | S237 P254 I260 | S237-T256 WeakPolarHBondContact O-CB 3.35Å; S237-T256 WeakPolarHBondContact O-CG2 2.99Å; S237-T256 PolarHBondContact O-OG1 2.97Å; S237-T256 WeakPolarHBondContact OG-CG2 3.14Å; P254-T256 PolarHBondContact O-N 3.22Å; P254-T256 VanDerWaalsContact O-N 3.11Å; T256-I260 WeakPolarHBondContact O-CD1 3.4Å; T256-I260 WeakPolarHBondContact O-CG1 3.35Å |
| 257 | L | 51 | Low | 53.8 | Low | 43 Ų | 43 | 98.8 Ų | 98.8 | 23% | 0.225 | 57% | 0.567 | C | S | . | * | H | α-helix | trans | -83.2 | -23.3 | 173.5 | -100.4 | 158.3 | 0 | 0 | 0 | 112.9 | A241 W244 P254 P255 I260 R261 | A241-L257 HydrophobicContact CB-CD1 3.9Å; A241-L257 HydrophobicContact CB-CG 4.21Å; W244-L257 HydrophobicContact CE3-CD1 4.09Å; P254-L257 HydrophobicContact CG-CD1 4.02Å; P254-L257 WeakPolarHBondContact O-CB 3.38Å; P254-L257 PolarHBondContact O-N 3.46Å; P255-L257 VanDerWaalsContact C-N 3.27Å; P255-L257 PolarHBondContact O-N 2.94Å; L257-I260 CarbonylContact O-C 3.28Å; L257-I260 VanDerWaalsContact O-C 3.28Å; L257-I260 PolarHBondContact O-N 3.39Å; L257-R261 PolarHBondContact O-N 3.49Å |
| 258 | L | 50.6 | Low | 54 | Low | 115 Ų | 115 | 97.2 Ų | 97.2 | 60% | 0.602 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -70.6 | -33.2 | 177.5 | -68.1 | 171.3 | 0 | 0 | 0 | 111.9 | P255 | P255-L258 PolarHBondContact O-N 3.43Å |
| 259 | G | 46.5 | Very low | 54.1 | Low | 73 Ų | 73 | 98.5 Ų | 98.5 | 75% | 0.753 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -75.2 | -25.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114 | R261 | G259-R261 VanDerWaalsContact C-N 3.25Å; G259-R261 PolarHBondContact O-N 3.38Å |
| 260 | I | 50.4 | Low | 54.6 | Low | 115 Ų | 115 | 105.9 Ų | 105.9 | 59% | 0.59 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 33.1 | 172.9 | -49.2 | 165.2 | 0 | 0 | 0 | 110 | T256 L257 Q262 | T256-I260 WeakPolarHBondContact O-CD1 3.4Å; T256-I260 WeakPolarHBondContact O-CG1 3.35Å; L257-I260 CarbonylContact O-C 3.28Å; L257-I260 VanDerWaalsContact O-C 3.28Å; L257-I260 PolarHBondContact O-N 3.39Å; I260-Q262 HydrophobicContact CG2-CG 4.47Å; I260-Q262 PolarHBondContact O-N 3.42Å |
| 261 | R | 45.5 | Very low | 55.3 | Low | 218 Ų | 218 | 101 Ų | 101 | 82% | 0.823 | 55% | 0.549 | S | S | * | . | trans | -70.8 | 71.6 | 152.8 | -161.1 | 175.8 | -170.9 | -174.6 | 3.6 | 107 | L257 G259 N263 | L257-R261 PolarHBondContact O-N 3.49Å; G259-R261 VanDerWaalsContact C-N 3.25Å; G259-R261 PolarHBondContact O-N 3.38Å; R261-N263 PolarHBondContact O-N 3.17Å | ||
| 262 | Q | 53.4 | Low | 55.9 | Low | 154 Ų | 154 | 104.9 Ų | 104.9 | 72% | 0.72 | 56% | 0.559 | S | S | * | * | trans | -45.7 | 125 | 158.2 | -85.6 | -170.8 | -5.9 | 0 | 0 | 104.6 | I260 S264 | I260-Q262 HydrophobicContact CG2-CG 4.47Å; I260-Q262 PolarHBondContact O-N 3.42Å; Q262-S264 PolarHBondContact O-N 2.82Å | ||
| 263 | N | 49.1 | Very low | 56.7 | Low | 110 Ų | 110 | 104.1 Ų | 104.1 | 59% | 0.588 | 55% | 0.547 | S | S | * | . | trans | -67.2 | 68.3 | 173.7 | -165.1 | -2.3 | 0 | 0 | 0 | 107.6 | R261 N265 A266 A267 | R261-N263 PolarHBondContact O-N 3.17Å; N263-N265 PolarHBondContact O-N 3.27Å; N263-A266 HydrophobicContact CB-CB 4.04Å; N263-A266 VanDerWaalsContact ND2-CB 3.26Å; N263-A266 WeakPolarHBondContact ND2-CB 3.49Å; N263-A266 PolarHBondContact O-N 2.92Å; N263-A266 PolarHBondContact OD1-N 3.09Å; N263-A267 PolarHBondContact O-N 2.92Å | ||
| 264 | S | 52.8 | Low | 57.6 | Low | 79 Ų | 79 | 105 Ų | 105 | 55% | 0.552 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -58.3 | -31.3 | -177.5 | 57.3 | 0 | 0 | 0 | 0 | 109.4 | Q262 G268 | Q262-S264 PolarHBondContact O-N 2.82Å; S264-G268 WeakPolarHBondContact O-CA 3.21Å; S264-G268 PolarHBondContact O-N 3.11Å |
| 265 | N | 56.8 | Low | 58.5 | Low | 123 Ų | 123 | 108.5 Ų | 108.5 | 66% | 0.658 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.5 | -46.2 | 170.1 | -73.7 | -10.7 | 0 | 0 | 0 | 112.5 | N263 R269 | N263-N265 PolarHBondContact O-N 3.27Å; N265-R269 WeakPolarHBondContact O-CB 3.32Å; N265-R269 PolarHBondContact O-N 3.35Å |
| 266 | A | 57.6 | Low | 59.6 | Low | 46 Ų | 46 | 107.8 Ų | 107.8 | 38% | 0.38 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.9 | -42.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | N263 R270 | N263-A266 HydrophobicContact CB-CB 4.04Å; N263-A266 VanDerWaalsContact ND2-CB 3.26Å; N263-A266 WeakPolarHBondContact ND2-CB 3.49Å; N263-A266 PolarHBondContact O-N 2.92Å; N263-A266 PolarHBondContact OD1-N 3.09Å; A266-R270 WeakPolarHBondContact O-CB 3.27Å; A266-R270 PolarHBondContact O-N 3.16Å |
| 267 | A | 59.3 | Low | 60.9 | Low | 52 Ų | 52 | 109.1 Ų | 109.1 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -66.8 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | N263 R271 | N263-A267 PolarHBondContact O-N 2.92Å; A267-R271 WeakPolarHBondContact O-CG 3.38Å; A267-R271 PolarHBondContact O-N 3.44Å |
| 268 | G | 61.9 | Low | 62.3 | Low | 33 Ų | 33 | 110.5 Ų | 110.5 | 34% | 0.34 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.7 | -44.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S264 R270 R271 L272 | S264-G268 WeakPolarHBondContact O-CA 3.21Å; S264-G268 PolarHBondContact O-N 3.11Å; G268-R270 PolarHBondContact O-N 3.3Å; G268-R271 PolarHBondContact O-N 2.94Å; G268-L272 WeakPolarHBondContact O-CB 3.19Å; G268-L272 PolarHBondContact O-N 3.06Å |
| 269 | R | 64 | Low | 63.8 | Low | 195 Ų | 195 | 110.8 Ų | 110.8 | 74% | 0.736 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.9 | -39.8 | 176.6 | -167.8 | 175.8 | -93.9 | -179.2 | -7.7 | 111.3 | N265 L272 L273 | N265-R269 WeakPolarHBondContact O-CB 3.32Å; N265-R269 PolarHBondContact O-N 3.35Å; R269-L272 PolarHBondContact O-N 2.98Å; R269-L273 VanDerWaalsContact O-CG 3.31Å; R269-L273 WeakPolarHBondContact O-CG 3.32Å; R269-L273 PolarHBondContact O-N 3.45Å; R269-L273 VanDerWaalsContact O-N 3.09Å |
| 270 | R | 66.6 | Low | 65.5 | Low | 193 Ų | 193 | 107.9 Ų | 107.9 | 73% | 0.728 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.1 | -41.6 | 173.5 | -161.4 | 177.9 | -160.9 | 177.9 | 6.6 | 112.5 | A266 G268 L273 V274 | A266-R270 WeakPolarHBondContact O-CB 3.27Å; A266-R270 PolarHBondContact O-N 3.16Å; G268-R270 PolarHBondContact O-N 3.3Å; R270-L273 PolarHBondContact O-N 3.09Å; R270-V274 WeakPolarHBondContact O-CG2 3.49Å; R270-V274 PolarHBondContact O-N 2.92Å; R270-V274 VanDerWaalsContact O-N 3.14Å |
| 271 | R | 66.1 | Low | 67.3 | Low | 161 Ų | 161 | 102.7 Ų | 102.7 | 61% | 0.608 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.7 | -40.8 | 175.4 | -76.1 | 174.5 | -177.6 | -177.8 | 0.8 | 112.3 | A267 G268 L273 V274 L275 | A267-R271 WeakPolarHBondContact O-CG 3.38Å; A267-R271 PolarHBondContact O-N 3.44Å; G268-R271 PolarHBondContact O-N 2.94Å; R271-L273 VanDerWaalsContact C-N 3.34Å; R271-V274 PolarHBondContact O-N 2.78Å; R271-L275 PolarHBondContact O-N 3.32Å |
| 272 | L | 69.6 | Low | 69.2 | Low | 124 Ų | 124 | 95.3 Ų | 95.3 | 65% | 0.649 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66 | -38.9 | -179.9 | -160.6 | 143.2 | 0 | 0 | 0 | 111.4 | G268 R269 L275 D276 | G268-L272 WeakPolarHBondContact O-CB 3.19Å; G268-L272 PolarHBondContact O-N 3.06Å; R269-L272 PolarHBondContact O-N 2.98Å; L272-L275 PolarHBondContact O-N 3.24Å; L272-D276 WeakPolarHBondContact O-CB 3.41Å; L272-D276 PolarHBondContact O-N 3.39Å |
| 273 | L | 71.1 | Confident | 70.7 | Confident | 112 Ų | 112 | 92 Ų | 92 | 59% | 0.586 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63 | -46.1 | 173.1 | -69.8 | 170.2 | 0 | 0 | 0 | 112.5 | R269 R270 R271 L275 D276 E277 | R269-L273 VanDerWaalsContact O-CG 3.31Å; R269-L273 WeakPolarHBondContact O-CG 3.32Å; R269-L273 PolarHBondContact O-N 3.45Å; R269-L273 VanDerWaalsContact O-N 3.09Å; R270-L273 PolarHBondContact O-N 3.09Å; R271-L273 VanDerWaalsContact C-N 3.34Å; L273-L275 VanDerWaalsContact C-N 3.31Å; L273-L275 PolarHBondContact O-N 3.01Å; L273-D276 PolarHBondContact O-N 3.31Å; L273-E277 WeakPolarHBondContact O-CB 3.35Å; L273-E277 PolarHBondContact O-N 2.72Å |
| 274 | V | 74.1 | Confident | 72.6 | Confident | 83 Ų | 83 | 86.9 Ų | 86.9 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 177.9 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | R270 R271 F278 | R270-V274 WeakPolarHBondContact O-CG2 3.49Å; R270-V274 PolarHBondContact O-N 2.92Å; R270-V274 VanDerWaalsContact O-N 3.14Å; R271-V274 PolarHBondContact O-N 2.78Å; V274-F278 WeakPolarHBondContact O-CB 3.5Å; V274-F278 PolarHBondContact O-N 3.45Å |
| 275 | L | 74.8 | Confident | 74.4 | Confident | 95 Ų | 95 | 83.4 Ų | 83.4 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 176.7 | -168.8 | 77.8 | 0 | 0 | 0 | 111.8 | R271 L272 L273 F278 K279 | R271-L275 PolarHBondContact O-N 3.32Å; L272-L275 PolarHBondContact O-N 3.24Å; L273-L275 VanDerWaalsContact C-N 3.31Å; L273-L275 PolarHBondContact O-N 3.01Å; L275-F278 PolarHBondContact O-N 3.16Å; L275-K279 WeakPolarHBondContact O-CG 3.37Å; L275-K279 PolarHBondContact O-N 3.45Å |
| 276 | D | 76.7 | Confident | 76 | Confident | 93 Ų | 93 | 84.3 Ų | 84.3 | 50% | 0.497 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.2 | -40.6 | 178.2 | -164 | 49.3 | 0 | 0 | 0 | 111.9 | L272 L273 F278 K279 T280 | L272-D276 WeakPolarHBondContact O-CB 3.41Å; L272-D276 PolarHBondContact O-N 3.39Å; L273-D276 PolarHBondContact O-N 3.31Å; D276-F278 VanDerWaalsContact C-N 3.35Å; D276-F278 PolarHBondContact O-N 3.06Å; D276-K279 PolarHBondContact O-N 3.08Å; D276-T280 WeakPolarHBondContact O-CB 3.47Å; D276-T280 PolarHBondContact O-N 2.03Å; D276-T280 PolarHBondContact O-OG1 3.18Å |
| 277 | E | 80.3 | Confident | 77.6 | Confident | 75 Ų | 75 | 82.1 Ų | 82.1 | 35% | 0.35 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59 | -46 | 171.9 | -171.1 | 174.9 | 176 | 0 | 0 | 111 | H127 L273 K279 T280 E281 | H127-E277 IonicContact CE1-OE1 3.27Å; L273-E277 WeakPolarHBondContact O-CB 3.35Å; L273-E277 PolarHBondContact O-N 2.72Å; E277-K279 PolarHBondContact O-N 3.21Å; E277-T280 WeakPolarHBondContact O-CB 3.09Å; E277-T280 PolarHBondContact O-N 3.48Å; E277-T280 VanDerWaalsContact O-N 3.16Å; E277-E281 WeakPolarHBondContact O-CG 3.43Å; E277-E281 PolarHBondContact O-N 2.88Å |
| 278 | F | 80.9 | Confident | 79.2 | Confident | 72 Ų | 72 | 79.7 Ų | 79.7 | 32% | 0.316 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.2 | -39.2 | 176.5 | -175.6 | -111.6 | 0 | 0 | 0 | 113.5 | I124 V274 L275 D276 T280 E281 K282 | I124-F278 HydrophobicContact CG2-CE2 4.26Å; V274-F278 WeakPolarHBondContact O-CB 3.5Å; V274-F278 PolarHBondContact O-N 3.45Å; L275-F278 PolarHBondContact O-N 3.16Å; D276-F278 VanDerWaalsContact C-N 3.35Å; D276-F278 PolarHBondContact O-N 3.06Å; F278-T280 VanDerWaalsContact C-N 3.29Å; F278-T280 PolarHBondContact O-N 3.38Å; F278-E281 PolarHBondContact O-N 3.36Å; F278-K282 HydrophobicContact CD1-CD 4.4Å; F278-K282 HydrophobicContact CE1-CD 4.02Å; F278-K282 HydrophobicContact CZ-CD 4.39Å; F278-K282 PolarHBondContact O-N 3.34Å |
| 279 | K | 82.4 | Confident | 80.7 | Confident | 120 Ų | 120 | 81.8 Ų | 81.8 | 52% | 0.522 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 173.5 | -77.4 | 175.1 | -176.8 | 177 | 0 | 111.3 | L275 D276 E277 K282 R283 | L275-K279 WeakPolarHBondContact O-CG 3.37Å; L275-K279 PolarHBondContact O-N 3.45Å; D276-K279 PolarHBondContact O-N 3.08Å; E277-K279 PolarHBondContact O-N 3.21Å; K279-K282 PolarHBondContact O-N 2.69Å; K279-R283 PolarHBondContact O-N 2.91Å; K279-R283 VanDerWaalsContact O-N 3.09Å |
| 280 | T | 82.8 | Confident | 82.1 | Confident | 13 Ų | 13 | 74.8 Ų | 74.8 | 8% | 0.08 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.6 | -48.2 | 177.8 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | D276 E277 F278 K282 R283 I284 | D276-T280 WeakPolarHBondContact O-CB 3.47Å; D276-T280 PolarHBondContact O-N 2.03Å; D276-T280 PolarHBondContact O-OG1 3.18Å; E277-T280 WeakPolarHBondContact O-CB 3.09Å; E277-T280 PolarHBondContact O-N 3.48Å; E277-T280 VanDerWaalsContact O-N 3.16Å; F278-T280 VanDerWaalsContact C-N 3.29Å; F278-T280 PolarHBondContact O-N 3.38Å; T280-K282 VanDerWaalsContact C-N 3.29Å; T280-K282 PolarHBondContact O-N 2.87Å; T280-R283 WeakPolarHBondContact O-CB 3.43Å; T280-R283 PolarHBondContact O-N 2.92Å; T280-I284 HydrophobicContact CG2-CD1 3.96Å; T280-I284 WeakPolarHBondContact O-CG1 3.49Å; T280-I284 PolarHBondContact O-N 3.48Å |
| 281 | E | 86.5 | Confident | 83.3 | Confident | 5 Ų | 5 | 65.7 Ų | 65.7 | 2% | 0.023 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.8 | -37.2 | 175.7 | -72 | -59.6 | 140.9 | 0 | 0 | 112.7 | R120 E277 F278 S285 | R120-E281 IonicContact CZ-OE2 3.89Å; R120-E281 IonicContact NH1-OE2 2.81Å; R120-E281 PolarHBondContact NH1-OE2 3Å; R120-E281 IonicContact NH2-OE2 3.86Å; E277-E281 WeakPolarHBondContact O-CG 3.43Å; E277-E281 PolarHBondContact O-N 2.88Å; F278-E281 PolarHBondContact O-N 3.36Å; E281-S285 VanDerWaalsContact O-CB 3.31Å; E281-S285 WeakPolarHBondContact O-CB 3.4Å; E281-S285 PolarHBondContact O-N 2.98Å; E281-S285 PolarHBondContact O-OG 2.91Å |
| 282 | K | 85.7 | Confident | 84.6 | Confident | 64 Ų | 64 | 58.2 Ų | 58.2 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 172.4 | -81.3 | -178.6 | 172.6 | 174.9 | 0 | 112.9 | I124 F278 K279 T280 S285 R286 | I124-K282 HydrophobicContact CD1-CG 4.39Å; F278-K282 HydrophobicContact CD1-CD 4.4Å; F278-K282 HydrophobicContact CE1-CD 4.02Å; F278-K282 HydrophobicContact CZ-CD 4.39Å; F278-K282 PolarHBondContact O-N 3.34Å; K279-K282 PolarHBondContact O-N 2.69Å; T280-K282 VanDerWaalsContact C-N 3.29Å; T280-K282 PolarHBondContact O-N 2.87Å; K282-S285 PolarHBondContact O-N 3.4Å; K282-R286 WeakPolarHBondContact O-CB 3.5Å; K282-R286 PolarHBondContact O-N 3.43Å |
| 283 | R | 86.3 | Confident | 85.7 | Confident | 84 Ų | 84 | 56.8 Ų | 56.8 | 32% | 0.317 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 177.8 | -173.9 | -173.5 | -64.4 | 159.6 | 2.6 | 110.7 | K279 T280 R286 M287 | K279-R283 PolarHBondContact O-N 2.91Å; K279-R283 VanDerWaalsContact O-N 3.09Å; T280-R283 WeakPolarHBondContact O-CB 3.43Å; T280-R283 PolarHBondContact O-N 2.92Å; R283-R286 PolarHBondContact O-N 3.1Å; R283-M287 PolarHBondContact O-N 3.07Å |
| 284 | I | 88.1 | Confident | 86.8 | Confident | 3 Ų | 3 | 55.4 Ų | 55.4 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 176.3 | -65.5 | 170.1 | 0 | 0 | 0 | 110.1 | P56 Y57 T280 R286 M287 F288 | P56-I284 HydrophobicContact CB-CG2 3.77Å; P56-I284 HydrophobicContact CG-CD1 4.46Å; P56-I284 HydrophobicContact CG-CG2 4.06Å; Y57-I284 HydrophobicContact CE2-CD1 4.25Å; T280-I284 HydrophobicContact CG2-CD1 3.96Å; T280-I284 WeakPolarHBondContact O-CG1 3.49Å; T280-I284 PolarHBondContact O-N 3.48Å; I284-R286 VanDerWaalsContact C-N 3.31Å; I284-R286 PolarHBondContact O-N 3.02Å; I284-M287 VanDerWaalsContact O-CB 3.31Å; I284-M287 WeakPolarHBondContact O-CB 3.32Å; I284-M287 PolarHBondContact O-N 3.47Å; I284-M287 VanDerWaalsContact O-N 3.08Å; I284-F288 HydrophobicContact CG2-CD2 3.79Å; I284-F288 HydrophobicContact CG2-CE2 3.59Å; I284-F288 VanDerWaalsContact O-CD2 3.32Å; I284-F288 WeakPolarHBondContact O-CD2 3.29Å; I284-F288 PolarHBondContact O-N 3.08Å; I284-F288 VanDerWaalsContact O-N 3.1Å |
| 285 | S | 90.8 | Very high | 87.8 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -39.7 | 178.3 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | I124 E281 K282 F288 Y289 | I124-S285 VanDerWaalsContact CD1-OG 3.24Å; I124-S285 WeakPolarHBondContact CD1-OG 3.33Å; E281-S285 VanDerWaalsContact O-CB 3.31Å; E281-S285 WeakPolarHBondContact O-CB 3.4Å; E281-S285 PolarHBondContact O-N 2.98Å; E281-S285 PolarHBondContact O-OG 2.91Å; K282-S285 PolarHBondContact O-N 3.4Å; S285-F288 PolarHBondContact O-N 2.78Å; S285-Y289 WeakPolarHBondContact O-CB 3.25Å; S285-Y289 PolarHBondContact O-N 3.04Å |
| 286 | R | 90.4 | Very high | 88.6 | Confident | 141 Ų | 141 | 50 Ų | 50 | 53% | 0.532 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.5 | -41.3 | 173.5 | -176.1 | -179.2 | 66.1 | -171.3 | 3 | 112 | K282 R283 I284 Y289 I290 | K282-R286 WeakPolarHBondContact O-CB 3.5Å; K282-R286 PolarHBondContact O-N 3.43Å; R283-R286 PolarHBondContact O-N 3.1Å; I284-R286 VanDerWaalsContact C-N 3.31Å; I284-R286 PolarHBondContact O-N 3.02Å; R286-Y289 PolarHBondContact O-N 3.08Å; R286-I290 HydrophobicContact CG-CD1 4.01Å; R286-I290 VanDerWaalsContact O-CG1 3.26Å; R286-I290 WeakPolarHBondContact O-CG1 2.94Å; R286-I290 PolarHBondContact O-N 3.02Å |
| 287 | M | 91.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.3 | -52.1 | 177 | -174.2 | -173.7 | 84.1 | 0 | 0 | 111.1 | L60 R283 I284 Y289 I290 M291 I339 N344 | L60-M287 HydrophobicContact CD2-CE 4.09Å; R283-M287 PolarHBondContact O-N 3.07Å; I284-M287 VanDerWaalsContact O-CB 3.31Å; I284-M287 WeakPolarHBondContact O-CB 3.32Å; I284-M287 PolarHBondContact O-N 3.47Å; I284-M287 VanDerWaalsContact O-N 3.08Å; M287-Y289 VanDerWaalsContact C-N 3.34Å; M287-Y289 PolarHBondContact O-N 3.15Å; M287-I290 PolarHBondContact O-N 3.07Å; M287-M291 HydrophobicContact CE-SD 4.32Å; M287-M291 WeakPolarHBondContact O-CG 3.08Å; M287-M291 PolarHBondContact O-N 3.11Å; M287-I339 HydrophobicContact CG-CG2 3.76Å; M287-N344 HydrophobicContact SD-CB 4.03Å |
| 288 | F | 93.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.5 | -33.2 | 178.8 | -75.2 | -71.1 | 0 | 0 | 0 | 113.7 | P56 L60 V116 R120 I284 S285 M291 T292 | P56-F288 HydrophobicContact CB-CE2 3.65Å; P56-F288 HydrophobicContact CB-CZ 4.15Å; P56-F288 VanDerWaalsContact O-CZ 3.23Å; P56-F288 WeakPolarHBondContact O-CZ 3.39Å; L60-F288 HydrophobicContact CB-CE1 4.24Å; L60-F288 HydrophobicContact CB-CZ 4.05Å; L60-F288 HydrophobicContact CD1-CE1 4.44Å; V116-F288 HydrophobicContact CG1-CB 3.72Å; V116-F288 HydrophobicContact CG1-CD1 3.47Å; V116-F288 VanDerWaalsContact CG1-CD1 3.47Å; V116-F288 HydrophobicContact CG1-CD2 4.16Å; V116-F288 HydrophobicContact CG1-CE1 4.07Å; V116-F288 HydrophobicContact CG1-CG 3.51Å; R120-F288 HydrophobicContact CG-CB 4.46Å; R120-F288 HydrophobicContact CG-CD2 4.44Å; I284-F288 HydrophobicContact CG2-CD2 3.79Å; I284-F288 HydrophobicContact CG2-CE2 3.59Å; I284-F288 VanDerWaalsContact O-CD2 3.32Å; I284-F288 WeakPolarHBondContact O-CD2 3.29Å; I284-F288 PolarHBondContact O-N 3.08Å; I284-F288 VanDerWaalsContact O-N 3.1Å; S285-F288 PolarHBondContact O-N 2.78Å; F288-M291 HydrophobicContact CD1-SD 3.76Å; F288-M291 HydrophobicContact CE1-SD 4.05Å; F288-M291 PolarHBondContact O-N 3.05Å; F288-T292 WeakPolarHBondContact O-CB 3.48Å; F288-T292 PolarHBondContact O-N 2.86Å; F288-T292 PolarHBondContact O-OG1 3.14Å |
| 289 | Y | 92.8 | Very high | 90.7 | Very high | 77 Ų | 77 | 43.3 Ų | 43.3 | 30% | 0.302 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.7 | -46.6 | 171.7 | 174.1 | -102.9 | 0 | 0 | 0 | 111.2 | Y203 I207 S285 R286 M287 M291 T292 F293 | Y203-Y289 AromaticContact CD1-CD2 3.67Å; Y203-Y289 HydrophobicContact CD1-CD2 3.67Å; Y203-Y289 HydrophobicContact CD1-CG 4.38Å; Y203-Y289 HydrophobicContact CD2-CD2 4.24Å; Y203-Y289 HydrophobicContact CE1-CD2 4.23Å; Y203-Y289 AromaticContact CG-CD2 3.68Å; Y203-Y289 HydrophobicContact CG-CD2 3.68Å; Y203-Y289 HydrophobicContact CG-CE2 4.32Å; I207-Y289 HydrophobicContact CD1-CE2 4.02Å; S285-Y289 WeakPolarHBondContact O-CB 3.25Å; S285-Y289 PolarHBondContact O-N 3.04Å; R286-Y289 PolarHBondContact O-N 3.08Å; M287-Y289 VanDerWaalsContact C-N 3.34Å; M287-Y289 PolarHBondContact O-N 3.15Å; Y289-M291 VanDerWaalsContact C-N 3.33Å; Y289-M291 PolarHBondContact O-N 2.87Å; Y289-T292 PolarHBondContact O-N 3.45Å; Y289-F293 WeakPolarHBondContact O-CB 3.47Å; Y289-F293 PolarHBondContact O-N 2.94Å |
| 290 | I | 92.6 | Very high | 91.1 | Very high | 49 Ų | 49 | 38.5 Ų | 38.5 | 25% | 0.251 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 176.2 | -64.7 | 165.3 | 0 | 0 | 0 | 110.1 | R286 M287 T292 F293 F294 I339 | R286-I290 HydrophobicContact CG-CD1 4.01Å; R286-I290 VanDerWaalsContact O-CG1 3.26Å; R286-I290 WeakPolarHBondContact O-CG1 2.94Å; R286-I290 PolarHBondContact O-N 3.02Å; M287-I290 PolarHBondContact O-N 3.07Å; I290-T292 VanDerWaalsContact C-N 3.34Å; I290-T292 PolarHBondContact O-N 3.41Å; I290-F293 PolarHBondContact O-N 3.07Å; I290-F294 HydrophobicContact CG2-CD2 3.72Å; I290-F294 HydrophobicContact CG2-CE2 3.69Å; I290-F294 WeakPolarHBondContact O-CD2 3.49Å; I290-F294 PolarHBondContact O-N 3.27Å; I290-I339 HydrophobicContact CG2-CD1 3.9Å; I290-I339 HydrophobicContact CG2-CG1 4.22Å; I290-I339 HydrophobicContact CG2-CG2 4.35Å |
| 291 | M | 92.8 | Very high | 91.7 | Very high | 2 Ų | 2 | 39.3 Ų | 39.3 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.8 | -45.8 | 175.7 | -65.5 | 172.3 | 73.3 | 0 | 0 | 112.3 | L60 L63 M287 F288 Y289 F293 F294 F295 N336 I339 | L60-M291 HydrophobicContact CD1-CE 3.58Å; L60-M291 HydrophobicContact CD1-SD 4.15Å; L63-M291 HydrophobicContact CD1-CE 4.14Å; M287-M291 HydrophobicContact CE-SD 4.32Å; M287-M291 WeakPolarHBondContact O-CG 3.08Å; M287-M291 PolarHBondContact O-N 3.11Å; F288-M291 HydrophobicContact CD1-SD 3.76Å; F288-M291 HydrophobicContact CE1-SD 4.05Å; F288-M291 PolarHBondContact O-N 3.05Å; Y289-M291 VanDerWaalsContact C-N 3.33Å; Y289-M291 PolarHBondContact O-N 2.87Å; M291-F293 VanDerWaalsContact C-N 3.35Å; M291-F294 PolarHBondContact O-N 3.39Å; M291-F295 PolarHBondContact O-N 2.67Å; M291-N336 HydrophobicContact CE-CB 3.86Å; M291-N336 WeakPolarHBondContact CE-OD1 3.36Å; M291-I339 VanDerWaalsContact CA-CD1 3.48Å; M291-I339 HydrophobicContact CB-CD1 4.07Å; M291-I339 HydrophobicContact CG-CB 4.09Å; M291-I339 HydrophobicContact CG-CD1 3.59Å; M291-I339 HydrophobicContact CG-CG1 4.46Å; M291-I339 HydrophobicContact CG-CG2 3.75Å |
| 292 | T | 93.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.025 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.8 | -39 | 178.9 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | T199 Y203 F288 Y289 I290 F295 L296 | T199-T292 HydrophobicContact CG2-CG2 3.59Å; Y203-T292 HydrophobicContact CD2-CG2 4.16Å; Y203-T292 HydrophobicContact CE2-CG2 3.78Å; Y203-T292 VanDerWaalsContact CE2-OG1 3.32Å; Y203-T292 WeakPolarHBondContact CE2-OG1 3.24Å; Y203-T292 PolarHBondContact OH-OG1 3.1Å; F288-T292 WeakPolarHBondContact O-CB 3.48Å; F288-T292 PolarHBondContact O-N 2.86Å; F288-T292 PolarHBondContact O-OG1 3.14Å; Y289-T292 PolarHBondContact O-N 3.45Å; I290-T292 VanDerWaalsContact C-N 3.34Å; I290-T292 PolarHBondContact O-N 3.41Å; T292-F295 WeakPolarHBondContact O-CB 2.95Å; T292-F295 PolarHBondContact O-N 2.64Å; T292-L296 PolarHBondContact O-N 3.04Å; T292-L296 VanDerWaalsContact O-N 3.07Å |
| 293 | F | 92.9 | Very high | 92.1 | Very high | 94 Ų | 94 | 37.6 Ų | 37.6 | 41% | 0.412 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -62.7 | -45.7 | 176.1 | 178 | -98.4 | 0 | 0 | 0 | 111.5 | Y289 I290 M291 F295 L296 T297 | Y289-F293 WeakPolarHBondContact O-CB 3.47Å; Y289-F293 PolarHBondContact O-N 2.94Å; I290-F293 PolarHBondContact O-N 3.07Å; M291-F293 VanDerWaalsContact C-N 3.35Å; F293-F295 VanDerWaalsContact C-N 3.32Å; F293-F295 PolarHBondContact O-N 3Å; F293-L296 WeakPolarHBondContact O-CB 3.32Å; F293-L296 PolarHBondContact O-N 3.07Å; F293-T297 HydrophobicContact CD1-CG2 4.22Å; F293-T297 HydrophobicContact CE1-CG2 3.74Å; F293-T297 HydrophobicContact CE2-CG2 4.14Å; F293-T297 HydrophobicContact CZ-CG2 3.69Å; F293-T297 WeakPolarHBondContact O-CG2 2.93Å; F293-T297 PolarHBondContact O-N 3.5Å; F293-T297 PolarHBondContact O-OG1 2.93Å |
| 294 | F | 93.9 | Very high | 92.2 | Very high | 83 Ų | 83 | 37.2 Ų | 37.2 | 36% | 0.364 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.9 | -36.7 | 175.4 | -86.5 | -78.3 | 0 | 0 | 0 | 112.8 | I290 M291 L296 T297 L298 Q332 V335 I339 | I290-F294 HydrophobicContact CG2-CD2 3.72Å; I290-F294 HydrophobicContact CG2-CE2 3.69Å; I290-F294 WeakPolarHBondContact O-CD2 3.49Å; I290-F294 PolarHBondContact O-N 3.27Å; M291-F294 PolarHBondContact O-N 3.39Å; F294-L296 VanDerWaalsContact C-N 3.31Å; F294-L296 PolarHBondContact O-N 3.49Å; F294-T297 WeakPolarHBondContact CA-OG1 3.29Å; F294-T297 PolarHBondContact O-N 2.89Å; F294-T297 PolarHBondContact O-OG1 3.22Å; F294-T297 VanDerWaalsContact O-OG1 3.11Å; F294-L298 HydrophobicContact CD1-CD1 4.48Å; F294-L298 VanDerWaalsContact O-CB 3.27Å; F294-L298 WeakPolarHBondContact O-CB 3.48Å; F294-L298 WeakPolarHBondContact O-CG 3.29Å; F294-L298 PolarHBondContact O-N 2.93Å; F294-Q332 PolarHBondContact O-OE1 2.97Å; F294-V335 HydrophobicContact CB-CG1 3.75Å; F294-V335 HydrophobicContact CG-CG1 4.24Å; F294-I339 HydrophobicContact CD2-CD1 3.81Å; F294-I339 HydrophobicContact CE2-CD1 4.48Å; F294-I339 HydrophobicContact CG-CD1 4.45Å |
| 295 | F | 93.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.013 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57 | -47.5 | 172.1 | -175.4 | -82.2 | 0 | 0 | 0 | 111 | T109 A110 L113 L196 M291 T292 F293 L298 W299 Q332 | T109-F295 HydrophobicContact CG2-CD2 3.64Å; T109-F295 HydrophobicContact CG2-CE2 3.43Å; T109-F295 VanDerWaalsContact CG2-CE2 3.43Å; T109-F295 HydrophobicContact CG2-CZ 4.46Å; A110-F295 HydrophobicContact CB-CZ 4.4Å; L113-F295 HydrophobicContact CD1-CB 3.64Å; L113-F295 HydrophobicContact CD1-CD1 4.11Å; L113-F295 HydrophobicContact CD1-CD2 3.74Å; L113-F295 HydrophobicContact CD1-CE2 4.45Å; L113-F295 HydrophobicContact CD1-CG 3.53Å; L196-F295 HydrophobicContact CD1-CE1 4.17Å; L196-F295 HydrophobicContact CD2-CD1 3.68Å; L196-F295 HydrophobicContact CD2-CE1 3.39Å; L196-F295 HydrophobicContact CG-CE1 4.4Å; M291-F295 PolarHBondContact O-N 2.67Å; T292-F295 WeakPolarHBondContact O-CB 2.95Å; T292-F295 PolarHBondContact O-N 2.64Å; F293-F295 VanDerWaalsContact C-N 3.32Å; F293-F295 PolarHBondContact O-N 3Å; F295-L298 PolarHBondContact O-N 3.23Å; F295-W299 HydrophobicContact CD1-CG 4.43Å; F295-W299 AromaticContact CD2-CD1 3.59Å; F295-W299 AromaticContact CD2-NE1 3.77Å; F295-W299 HydrophobicContact CE1-CB 4.16Å; F295-W299 AromaticContact CE1-CD1 3.86Å; F295-W299 AromaticContact CE1-CG 3.97Å; F295-W299 HydrophobicContact CE1-CG 3.97Å; F295-W299 AromaticContact CE2-CD1 3.42Å; F295-W299 VanDerWaalsContact CE2-CD1 3.42Å; F295-W299 HydrophobicContact CE2-CD2 4.49Å; F295-W299 HydrophobicContact CE2-CG 4.14Å; F295-W299 AromaticContact CE2-NE1 3.32Å; F295-W299 VanDerWaalsContact CE2-NE1 3.32Å; F295-W299 AromaticContact CG-CD1 3.91Å; F295-W299 HydrophobicContact CZ-CB 4.49Å; F295-W299 AromaticContact CZ-CD1 3.56Å; F295-W299 HydrophobicContact CZ-CD2 4.18Å; F295-W299 AromaticContact CZ-CG 3.83Å; F295-W299 HydrophobicContact CZ-CG 3.83Å; F295-W299 AromaticContact CZ-NE1 3.74Å; F295-W299 VanDerWaalsContact O-CB 3.27Å; F295-W299 WeakPolarHBondContact O-CB 3.17Å; F295-W299 PolarHBondContact O-N 3.39Å; F295-Q332 VanDerWaalsContact CA-OE1 3.31Å; F295-Q332 HydrophobicContact CD2-CG 4.01Å |
| 296 | L | 93.1 | Very high | 91.9 | Very high | 60 Ų | 60 | 36.8 Ų | 36.8 | 31% | 0.314 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 178.4 | -179 | 66.5 | 0 | 0 | 0 | 112.4 | Q200 T292 F293 F294 G300 | Q200-L296 HydrophobicContact CG-CD2 4.2Å; T292-L296 PolarHBondContact O-N 3.04Å; T292-L296 VanDerWaalsContact O-N 3.07Å; F293-L296 WeakPolarHBondContact O-CB 3.32Å; F293-L296 PolarHBondContact O-N 3.07Å; F294-L296 VanDerWaalsContact C-N 3.31Å; F294-L296 PolarHBondContact O-N 3.49Å; L296-G300 VanDerWaalsContact O-CA 3.24Å; L296-G300 WeakPolarHBondContact O-CA 3.41Å; L296-G300 PolarHBondContact O-N 3.26Å |
| 297 | T | 93.3 | Very high | 91.6 | Very high | 53 Ų | 53 | 32.5 Ų | 32.5 | 33% | 0.325 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -70.8 | -33.2 | -178 | 58.2 | 0 | 0 | 0 | 0 | 112.7 | F293 F294 P301 M328 | F293-T297 HydrophobicContact CD1-CG2 4.22Å; F293-T297 HydrophobicContact CE1-CG2 3.74Å; F293-T297 HydrophobicContact CE2-CG2 4.14Å; F293-T297 HydrophobicContact CZ-CG2 3.69Å; F293-T297 WeakPolarHBondContact O-CG2 2.93Å; F293-T297 PolarHBondContact O-N 3.5Å; F293-T297 PolarHBondContact O-OG1 2.93Å; F294-T297 WeakPolarHBondContact CA-OG1 3.29Å; F294-T297 PolarHBondContact O-N 2.89Å; F294-T297 PolarHBondContact O-OG1 3.22Å; F294-T297 VanDerWaalsContact O-OG1 3.11Å; T297-P301 WeakPolarHBondContact O-CD 3.49Å; T297-M328 WeakPolarHBondContact O-CE 3.28Å |
| 298 | L | 94.8 | Very high | 91.3 | Very high | 26 Ų | 26 | 39.2 Ų | 39.2 | 14% | 0.136 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -83.6 | -33.8 | -179.3 | -69.9 | 171.6 | 0 | 0 | 0 | 113.1 | F294 F295 M328 S329 Q332 V335 | F294-L298 HydrophobicContact CD1-CD1 4.48Å; F294-L298 VanDerWaalsContact O-CB 3.27Å; F294-L298 WeakPolarHBondContact O-CB 3.48Å; F294-L298 WeakPolarHBondContact O-CG 3.29Å; F294-L298 PolarHBondContact O-N 2.93Å; F295-L298 PolarHBondContact O-N 3.23Å; L298-M328 HydrophobicContact CD2-CB 4.02Å; L298-M328 HydrophobicContact CD2-CE 4.06Å; L298-M328 HydrophobicContact CD2-CG 4.32Å; L298-M328 CarbonylContact O-C 3.55Å; L298-M328 WeakPolarHBondContact O-CB 3.4Å; L298-S329 PolarHBondContact O-N 3.47Å; L298-Q332 HydrophobicContact CB-CB 4.46Å; L298-Q332 HydrophobicContact CD1-CB 4.33Å; L298-Q332 VanDerWaalsContact CD1-OE1 3.32Å; L298-V335 HydrophobicContact CD1-CG2 3.47Å; L298-V335 VanDerWaalsContact CD1-CG2 3.47Å |
| 299 | W | 93 | Very high | 90.6 | Very high | 21 Ų | 21 | 42.2 Ų | 42.2 | 8% | 0.08 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -88.7 | -25.3 | 175.6 | -77.8 | 87.3 | 0 | 0 | 0 | 113.8 | C106 F295 Y302 L303 | C106-W299 HydrophobicContact CB-CH2 3.77Å; C106-W299 HydrophobicContact CB-CZ2 4.24Å; C106-W299 HydrophobicContact CB-CZ3 4.26Å; C106-W299 WeakPolarHBondContact SG-CH2 3.34Å; C106-W299 WeakPolarHBondContact SG-CZ3 3.43Å; F295-W299 HydrophobicContact CD1-CG 4.43Å; F295-W299 AromaticContact CD2-CD1 3.59Å; F295-W299 AromaticContact CD2-NE1 3.77Å; F295-W299 HydrophobicContact CE1-CB 4.16Å; F295-W299 AromaticContact CE1-CD1 3.86Å; F295-W299 AromaticContact CE1-CG 3.97Å; F295-W299 HydrophobicContact CE1-CG 3.97Å; F295-W299 AromaticContact CE2-CD1 3.42Å; F295-W299 VanDerWaalsContact CE2-CD1 3.42Å; F295-W299 HydrophobicContact CE2-CD2 4.49Å; F295-W299 HydrophobicContact CE2-CG 4.14Å; F295-W299 AromaticContact CE2-NE1 3.32Å; F295-W299 VanDerWaalsContact CE2-NE1 3.32Å; F295-W299 AromaticContact CG-CD1 3.91Å; F295-W299 HydrophobicContact CZ-CB 4.49Å; F295-W299 AromaticContact CZ-CD1 3.56Å; F295-W299 HydrophobicContact CZ-CD2 4.18Å; F295-W299 AromaticContact CZ-CG 3.83Å; F295-W299 HydrophobicContact CZ-CG 3.83Å; F295-W299 AromaticContact CZ-NE1 3.74Å; F295-W299 VanDerWaalsContact O-CB 3.27Å; F295-W299 WeakPolarHBondContact O-CB 3.17Å; F295-W299 PolarHBondContact O-N 3.39Å; W299-Y302 HydrophobicContact CE3-CD1 4.05Å; W299-Y302 AromaticContact CZ3-CD1 3.94Å; W299-Y302 HydrophobicContact CZ3-CD1 3.94Å; W299-Y302 HydrophobicContact CZ3-CE1 4.29Å; W299-Y302 WeakPolarHBondContact O-CB 3.42Å; W299-Y302 PolarHBondContact O-N 3.33Å; W299-L303 WeakPolarHBondContact O-CG 3.37Å; W299-L303 PolarHBondContact O-N 2.96Å |
| 300 | G | 91.7 | Very high | 89.9 | Confident | 19 Ų | 19 | 38.7 Ų | 38.7 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -51.9 | -51.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L296 Y302 L303 V304 | L296-G300 VanDerWaalsContact O-CA 3.24Å; L296-G300 WeakPolarHBondContact O-CA 3.41Å; L296-G300 PolarHBondContact O-N 3.26Å; G300-Y302 VanDerWaalsContact C-N 3.29Å; G300-Y302 PolarHBondContact O-N 3.46Å; G300-L303 PolarHBondContact O-N 3.29Å; G300-V304 WeakPolarHBondContact O-CG2 3.48Å; G300-V304 PolarHBondContact O-N 3.26Å |
| 301 | P | 93.8 | Very high | 89.1 | Confident | 30 Ų | 30 | 41.8 Ų | 41.8 | 20% | 0.195 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.2 | -37 | 177.3 | -26.3 | 36.5 | 0 | 0 | 0 | 113.2 | T297 V304 A305 Y321 A325 M328 | T297-P301 WeakPolarHBondContact O-CD 3.49Å; P301-V304 PolarHBondContact O-N 2.94Å; P301-A305 WeakPolarHBondContact O-CB 3.34Å; P301-A305 PolarHBondContact O-N 3.17Å; P301-Y321 PolarHBondContact O-OH 3.13Å; P301-Y321 VanDerWaalsContact O-OH 3.09Å; P301-A325 HydrophobicContact CB-CB 3.9Å; P301-M328 HydrophobicContact CG-CE 3.72Å; P301-M328 HydrophobicContact CG-SD 4.01Å |
| 302 | Y | 90.9 | Very high | 88.1 | Confident | 18 Ų | 18 | 43.5 Ų | 43.5 | 7% | 0.071 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.8 | -43.4 | 177 | -174.5 | -110.3 | 0 | 0 | 0 | 111.2 | E170 W299 G300 V304 A305 C306 V326 | E170-Y302 WeakPolarHBondContact OE2-CE2 3.26Å; E170-Y302 PolarHBondContact OE2-OH 3.49Å; W299-Y302 HydrophobicContact CE3-CD1 4.05Å; W299-Y302 AromaticContact CZ3-CD1 3.94Å; W299-Y302 HydrophobicContact CZ3-CD1 3.94Å; W299-Y302 HydrophobicContact CZ3-CE1 4.29Å; W299-Y302 WeakPolarHBondContact O-CB 3.42Å; W299-Y302 PolarHBondContact O-N 3.33Å; G300-Y302 VanDerWaalsContact C-N 3.29Å; G300-Y302 PolarHBondContact O-N 3.46Å; Y302-V304 PolarHBondContact O-N 3.3Å; Y302-A305 WeakPolarHBondContact O-CB 3.2Å; Y302-A305 PolarHBondContact O-N 3.01Å; Y302-C306 PolarHBondContact O-N 3.31Å; Y302-C306 PolarHBondContact O-SG 3.37Å; Y302-V326 HydrophobicContact CD2-CG2 3.92Å; Y302-V326 HydrophobicContact CE2-CG2 3.74Å |
| 303 | L | 89.4 | Confident | 86.7 | Confident | 16 Ų | 16 | 54 Ų | 54 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 174.7 | -64.1 | 177.6 | 0 | 0 | 0 | 111.2 | M189 L192 L196 W299 G300 A305 C306 Y307 | M189-L303 HydrophobicContact CE-CD2 3.79Å; L192-L303 HydrophobicContact CD2-CD2 3.55Å; L192-L303 HydrophobicContact CG-CD2 4.16Å; L196-L303 HydrophobicContact CD1-CD1 3.46Å; L196-L303 VanDerWaalsContact CD1-CD1 3.46Å; W299-L303 WeakPolarHBondContact O-CG 3.37Å; W299-L303 PolarHBondContact O-N 2.96Å; G300-L303 PolarHBondContact O-N 3.29Å; L303-A305 VanDerWaalsContact C-N 3.32Å; L303-A305 PolarHBondContact O-N 2.99Å; L303-C306 WeakPolarHBondContact O-CB 3.44Å; L303-C306 PolarHBondContact O-N 3.05Å; L303-C306 VanDerWaalsContact O-N 3.15Å; L303-Y307 WeakPolarHBondContact O-CD2 3.25Å; L303-Y307 PolarHBondContact O-N 2.88Å |
| 304 | V | 89.9 | Confident | 85.2 | Confident | 75 Ų | 75 | 51.9 Ų | 51.9 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59 | -43 | 176.7 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | G300 P301 Y302 C306 Y307 W308 Y321 | G300-V304 WeakPolarHBondContact O-CG2 3.48Å; G300-V304 PolarHBondContact O-N 3.26Å; P301-V304 PolarHBondContact O-N 2.94Å; Y302-V304 PolarHBondContact O-N 3.3Å; V304-C306 VanDerWaalsContact C-N 3.34Å; V304-C306 PolarHBondContact O-N 3.38Å; V304-Y307 PolarHBondContact O-N 3.46Å; V304-W308 WeakPolarHBondContact O-CB 3.29Å; V304-W308 PolarHBondContact O-N 3.03Å; V304-Y321 WeakPolarHBondContact CG1-OH 3.48Å |
| 305 | A | 87.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P301 Y302 L303 W308 R309 Y321 L322 | P301-A305 WeakPolarHBondContact O-CB 3.34Å; P301-A305 PolarHBondContact O-N 3.17Å; Y302-A305 WeakPolarHBondContact O-CB 3.2Å; Y302-A305 PolarHBondContact O-N 3.01Å; L303-A305 VanDerWaalsContact C-N 3.32Å; L303-A305 PolarHBondContact O-N 2.99Å; A305-W308 PolarHBondContact O-N 2.76Å; A305-R309 WeakPolarHBondContact O-CG 3.17Å; A305-R309 PolarHBondContact O-N 2.78Å; A305-Y321 HydrophobicContact CB-CD1 4.35Å; A305-Y321 HydrophobicContact CB-CE1 3.69Å; A305-L322 HydrophobicContact CB-CD1 4.13Å |
| 306 | C | 84.3 | Confident | 82.7 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 178.4 | -64.6 | 0 | 0 | 0 | 0 | 111.4 | H177 M189 Y302 L303 V304 W308 R309 V310 | H177-C306 VanDerWaalsContact CE1-SG 3.54Å; H177-C306 WeakPolarHBondContact NE2-CB 3.38Å; H177-C306 PolarHBondContact NE2-SG 3.29Å; M189-C306 HydrophobicContact CE-CB 3.2Å; M189-C306 HydrophobicContact SD-CB 4.05Å; Y302-C306 PolarHBondContact O-N 3.31Å; Y302-C306 PolarHBondContact O-SG 3.37Å; L303-C306 WeakPolarHBondContact O-CB 3.44Å; L303-C306 PolarHBondContact O-N 3.05Å; L303-C306 VanDerWaalsContact O-N 3.15Å; V304-C306 VanDerWaalsContact C-N 3.34Å; V304-C306 PolarHBondContact O-N 3.38Å; C306-W308 PolarHBondContact O-N 3.47Å; C306-R309 PolarHBondContact O-N 3.11Å; C306-V310 WeakPolarHBondContact O-CG2 3.45Å; C306-V310 PolarHBondContact O-N 3.3Å; C306-V310 VanDerWaalsContact O-N 3.13Å |
| 307 | Y | 83.8 | Confident | 82.1 | Confident | 51 Ų | 51 | 55.7 Ų | 55.7 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.2 | -44 | 172.9 | -86.4 | -75.7 | 0 | 0 | 0 | 111.8 | M189 L190 A193 L303 V304 R309 V310 F311 | M189-Y307 HydrophobicContact CB-CE1 4.3Å; M189-Y307 HydrophobicContact CB-CE2 4.22Å; M189-Y307 HydrophobicContact CE-CD2 4.13Å; M189-Y307 HydrophobicContact CE-CE2 4.07Å; M189-Y307 PolarHBondContact O-OH 2.89Å; L190-Y307 WeakPolarHBondContact CA-OH 3.4Å; L190-Y307 HydrophobicContact CD2-CE1 4.37Å; L190-Y307 PolarHBondContact N-OH 3.19Å; L190-Y307 VanDerWaalsContact N-OH 3.14Å; A193-Y307 HydrophobicContact CB-CE2 4.32Å; A193-Y307 WeakPolarHBondContact CB-OH 3.42Å; L303-Y307 WeakPolarHBondContact O-CD2 3.25Å; L303-Y307 PolarHBondContact O-N 2.88Å; V304-Y307 PolarHBondContact O-N 3.46Å; Y307-R309 VanDerWaalsContact C-N 3.32Å; Y307-R309 PolarHBondContact O-N 3.37Å; Y307-V310 PolarHBondContact O-N 2.82Å; Y307-V310 VanDerWaalsContact O-N 3.14Å; Y307-F311 AromaticContact CD1-CD2 3.94Å; Y307-F311 HydrophobicContact CD1-CD2 3.94Å; Y307-F311 AromaticContact CD1-CE2 3.59Å; Y307-F311 HydrophobicContact CD1-CE2 3.59Å; Y307-F311 HydrophobicContact CE1-CE2 4.04Å; Y307-F311 WeakPolarHBondContact O-CD2 3.23Å; Y307-F311 PolarHBondContact O-N 3.16Å |
| 308 | W | 84.8 | Confident | 81.8 | Confident | 141 Ų | 141 | 57.3 Ų | 57.3 | 53% | 0.534 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.2 | -45 | 177 | -164.5 | -67.1 | 0 | 0 | 0 | 111.3 | V304 A305 C306 V310 F311 A312 V317 | V304-W308 WeakPolarHBondContact O-CB 3.29Å; V304-W308 PolarHBondContact O-N 3.03Å; A305-W308 PolarHBondContact O-N 2.76Å; C306-W308 PolarHBondContact O-N 3.47Å; W308-V310 VanDerWaalsContact C-N 3.3Å; W308-V310 PolarHBondContact O-N 3.4Å; W308-F311 PolarHBondContact O-N 3.33Å; W308-A312 HydrophobicContact CG-CB 4.38Å; W308-A312 WeakPolarHBondContact O-CB 3.23Å; W308-A312 PolarHBondContact O-N 2.85Å; W308-V317 HydrophobicContact CB-CG2 4.01Å; W308-V317 HydrophobicContact CG-CG2 3.89Å |
| 309 | R | 79.6 | Confident | 81.3 | Confident | 63 Ų | 63 | 58.3 Ų | 58.3 | 24% | 0.238 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.9 | -31.3 | 177.2 | -76.6 | 177.9 | 163.7 | -173.3 | -9.9 | 113.9 | E170 H177 A305 C306 Y307 V317 | E170-R309 IonicContact OE1-CZ 2.68Å; E170-R309 IonicContact OE1-NH1 3.67Å; E170-R309 PolarHBondContact OE1-NH1 3.18Å; H177-R309 HydrophobicContact CB-CB 4.17Å; A305-R309 WeakPolarHBondContact O-CG 3.17Å; A305-R309 PolarHBondContact O-N 2.78Å; C306-R309 PolarHBondContact O-N 3.11Å; Y307-R309 VanDerWaalsContact C-N 3.32Å; Y307-R309 PolarHBondContact O-N 3.37Å; R309-V317 HydrophobicContact CG-CG2 3.73Å |
| 310 | V | 77.6 | Confident | 81 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.024 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -78.2 | -42.9 | 179.3 | 172.6 | 0 | 0 | 0 | 0 | 111.7 | L186 C306 Y307 W308 | L186-V310 HydrophobicContact CD1-CG1 4.48Å; C306-V310 WeakPolarHBondContact O-CG2 3.45Å; C306-V310 PolarHBondContact O-N 3.3Å; C306-V310 VanDerWaalsContact O-N 3.13Å; Y307-V310 PolarHBondContact O-N 2.82Å; Y307-V310 VanDerWaalsContact O-N 3.14Å; W308-V310 VanDerWaalsContact C-N 3.3Å; W308-V310 PolarHBondContact O-N 3.4Å |
| 311 | F | 76.4 | Confident | 80.9 | Confident | 114 Ų | 114 | 63.6 Ų | 63.6 | 50% | 0.5 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -95.3 | -30.9 | -171.2 | -75.6 | -81.1 | 0 | 0 | 0 | 114.5 | L186 Y307 W308 R313 | L186-F311 HydrophobicContact CD1-CE1 4.22Å; L186-F311 HydrophobicContact CD1-CE2 4.24Å; L186-F311 HydrophobicContact CD1-CZ 3.61Å; L186-F311 HydrophobicContact CG-CZ 4.37Å; Y307-F311 AromaticContact CD1-CD2 3.94Å; Y307-F311 HydrophobicContact CD1-CD2 3.94Å; Y307-F311 AromaticContact CD1-CE2 3.59Å; Y307-F311 HydrophobicContact CD1-CE2 3.59Å; Y307-F311 HydrophobicContact CE1-CE2 4.04Å; Y307-F311 WeakPolarHBondContact O-CD2 3.23Å; Y307-F311 PolarHBondContact O-N 3.16Å; W308-F311 PolarHBondContact O-N 3.33Å; F311-R313 PolarHBondContact O-N 3.49Å |
| 312 | A | 72.3 | Confident | 80.7 | Confident | 37 Ų | 37 | 62.3 Ų | 62.3 | 31% | 0.306 | 35% | 0.354 | S | S | . | . | trans | -75.8 | 115.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | W308 | W308-A312 HydrophobicContact CG-CB 4.38Å; W308-A312 WeakPolarHBondContact O-CB 3.23Å; W308-A312 PolarHBondContact O-N 2.85Å | ||
| 313 | R | 62.8 | Low | 80.6 | Confident | 224 Ų | 224 | 63.2 Ų | 63.2 | 85% | 0.845 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -81 | 5.2 | 161.4 | -64.7 | -176 | 179.7 | 161 | 1.2 | 112.5 | F311 | F311-R313 PolarHBondContact O-N 3.49Š|
| 314 | G | 62.6 | Low | 80.7 | Confident | 50 Ų | 50 | 64.9 Ų | 64.9 | 52% | 0.515 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -105.8 | -152.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 315 | P | 61.7 | Low | 80.9 | Confident | 113 Ų | 113 | 61.4 Ų | 61.4 | 73% | 0.734 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -58.3 | 140.9 | -171.7 | 22.6 | -31.7 | 0 | 0 | 0 | 112 | ||
| 316 | A | 73.1 | Confident | 81.2 | Confident | 93 Ų | 93 | 61.4 Ų | 61.4 | 77% | 0.769 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 145.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 317 | V | 80.6 | Confident | 81.6 | Confident | 20 Ų | 20 | 63.1 Ų | 63.1 | 12% | 0.121 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -54.2 | 128.9 | 175.2 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | W308 R309 G319 Y321 L322 | W308-V317 HydrophobicContact CB-CG2 4.01Å; W308-V317 HydrophobicContact CG-CG2 3.89Å; R309-V317 HydrophobicContact CG-CG2 3.73Å; V317-G319 PolarHBondContact O-N 3.47Å; V317-Y321 HydrophobicContact CG1-CD1 3.63Å; V317-Y321 HydrophobicContact CG1-CE1 4.31Å; V317-L322 HydrophobicContact CG1-CB 4.25Å |
| 318 | P | 87.4 | Confident | 82.2 | Confident | 87 Ų | 87 | 63.9 Ų | 63.9 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 128 | 178.1 | -25.8 | 33.6 | 0 | 0 | 0 | 111.3 | G320 Y321 L322 | P318-G320 PolarHBondContact O-N 2.9Å; P318-Y321 WeakPolarHBondContact O-CB 3.5Å; P318-Y321 PolarHBondContact O-N 2.93Å; P318-L322 PolarHBondContact O-N 2.97Å; P318-L322 VanDerWaalsContact O-N 3.11Å |
| 319 | G | 83.5 | Confident | 82.6 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 49% | 0.485 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.4 | -34.5 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | V317 L322 T323 | V317-G319 PolarHBondContact O-N 3.47Å; G319-L322 PolarHBondContact O-N 3.48Å; G319-T323 WeakPolarHBondContact O-CB 3.21Å; G319-T323 PolarHBondContact O-N 3.32Å; G319-T323 PolarHBondContact O-OG1 2.84Å |
| 320 | G | 86.1 | Confident | 83.4 | Confident | 59 Ų | 59 | 54.5 Ų | 54.5 | 61% | 0.608 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.1 | -41.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | P318 A324 | P318-G320 PolarHBondContact O-N 2.9Å; G320-A324 WeakPolarHBondContact O-CB 3.31Å; G320-A324 PolarHBondContact O-N 3.36Å |
| 321 | Y | 90.5 | Very high | 84.2 | Confident | 93 Ų | 93 | 56 Ų | 56 | 37% | 0.365 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 176.1 | 172.6 | -99.2 | 0 | 0 | 0 | 111.3 | P301 V304 A305 V317 P318 A324 A325 | P301-Y321 PolarHBondContact O-OH 3.13Å; P301-Y321 VanDerWaalsContact O-OH 3.09Å; V304-Y321 WeakPolarHBondContact CG1-OH 3.48Å; A305-Y321 HydrophobicContact CB-CD1 4.35Å; A305-Y321 HydrophobicContact CB-CE1 3.69Å; V317-Y321 HydrophobicContact CG1-CD1 3.63Å; V317-Y321 HydrophobicContact CG1-CE1 4.31Å; P318-Y321 WeakPolarHBondContact O-CB 3.5Å; P318-Y321 PolarHBondContact O-N 2.93Å; Y321-A324 PolarHBondContact O-N 2.76Å; Y321-A325 VanDerWaalsContact O-CB 3.32Å; Y321-A325 WeakPolarHBondContact O-CB 3.41Å; Y321-A325 PolarHBondContact O-N 2.98Å |
| 322 | L | 89.4 | Confident | 85.1 | Confident | 3 Ų | 3 | 50.8 Ų | 50.8 | 2% | 0.016 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 178.1 | -178.4 | 74.2 | 0 | 0 | 0 | 111.6 | E169 E170 A305 V317 P318 G319 A324 A325 V326 | E169-L322 HydrophobicContact CB-CD2 3.61Å; E170-L322 HydrophobicContact CG-CD1 4.27Å; E170-L322 HydrophobicContact CG-CD2 3.85Å; E170-L322 HydrophobicContact CG-CG 4.15Å; A305-L322 HydrophobicContact CB-CD1 4.13Å; V317-L322 HydrophobicContact CG1-CB 4.25Å; P318-L322 PolarHBondContact O-N 2.97Å; P318-L322 VanDerWaalsContact O-N 3.11Å; G319-L322 PolarHBondContact O-N 3.48Å; L322-A324 VanDerWaalsContact C-N 3.3Å; L322-A324 PolarHBondContact O-N 3.31Å; L322-A325 PolarHBondContact O-N 3.49Å; L322-V326 HydrophobicContact CD1-CG2 4.39Å; L322-V326 HydrophobicContact CG-CG2 4.35Å; L322-V326 VanDerWaalsContact O-CG2 3.29Å; L322-V326 WeakPolarHBondContact O-CG2 3.41Å; L322-V326 PolarHBondContact O-N 3.13Å |
| 323 | T | 89.3 | Confident | 86.1 | Confident | 37 Ų | 37 | 49 Ų | 49 | 23% | 0.227 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 179.1 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | G319 V326 W327 | G319-T323 WeakPolarHBondContact O-CB 3.21Å; G319-T323 PolarHBondContact O-N 3.32Å; G319-T323 PolarHBondContact O-OG1 2.84Å; T323-V326 PolarHBondContact O-N 3.01Å; T323-W327 HydrophobicContact CG2-CD2 4.49Å; T323-W327 WeakPolarHBondContact O-CB 3.49Å; T323-W327 PolarHBondContact O-N 2.87Å |
| 324 | A | 92.1 | Very high | 87.5 | Confident | 50 Ų | 50 | 38.6 Ų | 38.6 | 41% | 0.413 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | G320 Y321 L322 V326 W327 M328 | G320-A324 WeakPolarHBondContact O-CB 3.31Å; G320-A324 PolarHBondContact O-N 3.36Å; Y321-A324 PolarHBondContact O-N 2.76Å; L322-A324 VanDerWaalsContact C-N 3.3Å; L322-A324 PolarHBondContact O-N 3.31Å; A324-V326 PolarHBondContact O-N 2.91Å; A324-W327 PolarHBondContact O-N 2.79Å; A324-M328 VanDerWaalsContact O-CG 3.29Å; A324-M328 WeakPolarHBondContact O-CG 3.43Å; A324-M328 PolarHBondContact O-N 3.31Å |
| 325 | A | 94.1 | Very high | 88.9 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | P301 Y321 L322 W327 M328 S329 | P301-A325 HydrophobicContact CB-CB 3.9Å; Y321-A325 VanDerWaalsContact O-CB 3.32Å; Y321-A325 WeakPolarHBondContact O-CB 3.41Å; Y321-A325 PolarHBondContact O-N 2.98Å; L322-A325 PolarHBondContact O-N 3.49Å; A325-W327 VanDerWaalsContact C-N 3.35Å; A325-M328 PolarHBondContact O-N 3.15Å; A325-S329 PolarHBondContact O-N 3.37Å; A325-S329 VanDerWaalsContact O-N 3.13Å |
| 326 | V | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.1 | -44.1 | 174.9 | -179.7 | 0 | 0 | 0 | 0 | 109.9 | E170 Y302 L322 T323 A324 M328 S329 F330 | E170-V326 HydrophobicContact CB-CG2 4.05Å; E170-V326 HydrophobicContact CG-CG2 3.8Å; Y302-V326 HydrophobicContact CD2-CG2 3.92Å; Y302-V326 HydrophobicContact CE2-CG2 3.74Å; L322-V326 HydrophobicContact CD1-CG2 4.39Å; L322-V326 HydrophobicContact CG-CG2 4.35Å; L322-V326 VanDerWaalsContact O-CG2 3.29Å; L322-V326 WeakPolarHBondContact O-CG2 3.41Å; L322-V326 PolarHBondContact O-N 3.13Å; T323-V326 PolarHBondContact O-N 3.01Å; A324-V326 PolarHBondContact O-N 2.91Å; V326-M328 VanDerWaalsContact C-N 3.31Å; V326-M328 PolarHBondContact O-N 3.44Å; V326-S329 WeakPolarHBondContact O-CB 3.46Å; V326-S329 PolarHBondContact O-N 3.46Å; V326-S329 PolarHBondContact O-OG 2.83Å; V326-F330 HydrophobicContact CG1-CD1 4.38Å; V326-F330 HydrophobicContact CG1-CD2 4.33Å; V326-F330 HydrophobicContact CG1-CE1 3.74Å; V326-F330 HydrophobicContact CG1-CE2 3.69Å; V326-F330 HydrophobicContact CG1-CZ 3.36Å; V326-F330 WeakPolarHBondContact O-CG 3.43Å; V326-F330 PolarHBondContact O-N 3.46Å |
| 327 | W | 93.9 | Very high | 91.1 | Very high | 38 Ų | 38 | 27.5 Ų | 27.5 | 14% | 0.144 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.1 | -34.5 | -176.9 | -88.7 | -146.8 | 0 | 0 | 0 | 111.5 | K24 D171 T323 A324 A325 F330 A331 | K24-W327 HydrophobicContact CB-CZ2 3.95Å; K24-W327 HydrophobicContact CD-CH2 4.46Å; K24-W327 HydrophobicContact CD-CZ2 3.79Å; K24-W327 HydrophobicContact CG-CZ2 3.64Å; D171-W327 HydrophobicContact CB-CH2 4.24Å; T323-W327 HydrophobicContact CG2-CD2 4.49Å; T323-W327 WeakPolarHBondContact O-CB 3.49Å; T323-W327 PolarHBondContact O-N 2.87Å; A324-W327 PolarHBondContact O-N 2.79Å; A325-W327 VanDerWaalsContact C-N 3.35Å; W327-F330 HydrophobicContact CD2-CD2 4.27Å; W327-F330 HydrophobicContact CD2-CE2 4.48Å; W327-F330 AromaticContact CE3-CD2 3.73Å; W327-F330 HydrophobicContact CE3-CD2 3.73Å; W327-F330 AromaticContact CE3-CE2 3.59Å; W327-F330 HydrophobicContact CE3-CE2 3.59Å; W327-F330 HydrophobicContact CH2-CE2 4.01Å; W327-F330 AromaticContact CZ3-CD2 3.94Å; W327-F330 HydrophobicContact CZ3-CD2 3.94Å; W327-F330 AromaticContact CZ3-CE2 3.32Å; W327-F330 HydrophobicContact CZ3-CE2 3.32Å; W327-F330 HydrophobicContact CZ3-CZ 4.16Å; W327-F330 PolarHBondContact O-N 3.07Å; W327-A331 WeakPolarHBondContact O-CB 3.45Å; W327-A331 PolarHBondContact O-N 3.11Å |
| 328 | M | 95.1 | Very high | 91.4 | Very high | 66 Ų | 66 | 31.3 Ų | 31.3 | 33% | 0.325 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.8 | -43.8 | 170.2 | -72.8 | 178.2 | 63.7 | 0 | 0 | 111.6 | T297 L298 P301 A324 A325 V326 F330 A331 Q332 | T297-M328 WeakPolarHBondContact O-CE 3.28Å; L298-M328 HydrophobicContact CD2-CB 4.02Å; L298-M328 HydrophobicContact CD2-CE 4.06Å; L298-M328 HydrophobicContact CD2-CG 4.32Å; L298-M328 CarbonylContact O-C 3.55Å; L298-M328 WeakPolarHBondContact O-CB 3.4Å; P301-M328 HydrophobicContact CG-CE 3.72Å; P301-M328 HydrophobicContact CG-SD 4.01Å; A324-M328 VanDerWaalsContact O-CG 3.29Å; A324-M328 WeakPolarHBondContact O-CG 3.43Å; A324-M328 PolarHBondContact O-N 3.31Å; A325-M328 PolarHBondContact O-N 3.15Å; V326-M328 VanDerWaalsContact C-N 3.31Å; V326-M328 PolarHBondContact O-N 3.44Å; M328-F330 VanDerWaalsContact C-N 3.26Å; M328-F330 PolarHBondContact O-N 3.36Å; M328-A331 PolarHBondContact O-N 3.47Å; M328-Q332 PolarHBondContact O-N 2.92Å |
| 329 | S | 94.7 | Very high | 91.4 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.9 | -31.9 | 176.3 | 83 | 0 | 0 | 0 | 0 | 112.9 | R70 L298 A325 V326 Q332 | R70-S329 PolarHBondContact NH1-O 3.14Å; R70-S329 VanDerWaalsContact NH1-O 3.08Å; L298-S329 PolarHBondContact O-N 3.47Å; A325-S329 PolarHBondContact O-N 3.37Å; A325-S329 VanDerWaalsContact O-N 3.13Å; V326-S329 WeakPolarHBondContact O-CB 3.46Å; V326-S329 PolarHBondContact O-N 3.46Å; V326-S329 PolarHBondContact O-OG 2.83Å; S329-Q332 WeakPolarHBondContact O-CB 3.48Å |
| 330 | F | 95.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.018 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.2 | -43.8 | 174.8 | -64.1 | -11.2 | 0 | 0 | 0 | 111.6 | L28 I31 F75 V78 Q172 V326 W327 M328 Q332 A333 | L28-F330 HydrophobicContact CD1-CD2 4.03Å; I31-F330 HydrophobicContact CD1-CB 4.16Å; I31-F330 HydrophobicContact CG2-CB 4.39Å; I31-F330 WeakPolarHBondContact CG2-O 3.33Å; F75-F330 HydrophobicContact CD1-CD1 4.4Å; F75-F330 HydrophobicContact CE1-CB 4.17Å; F75-F330 AromaticContact CE1-CD1 3.52Å; F75-F330 HydrophobicContact CE1-CD1 3.52Å; F75-F330 HydrophobicContact CE1-CE1 4.01Å; F75-F330 AromaticContact CE1-CG 3.86Å; F75-F330 HydrophobicContact CE1-CG 3.86Å; F75-F330 HydrophobicContact CZ-CB 3.9Å; F75-F330 HydrophobicContact CZ-CD1 4.01Å; F75-F330 HydrophobicContact CZ-CG 4.12Å; V78-F330 HydrophobicContact CG1-CE2 3.93Å; V78-F330 HydrophobicContact CG1-CZ 4.21Å; V78-F330 HydrophobicContact CG2-CZ 4.48Å; Q172-F330 VanDerWaalsContact OE1-CE1 3.27Å; Q172-F330 VanDerWaalsContact OE1-CZ 3.3Å; V326-F330 HydrophobicContact CG1-CD1 4.38Å; V326-F330 HydrophobicContact CG1-CD2 4.33Å; V326-F330 HydrophobicContact CG1-CE1 3.74Å; V326-F330 HydrophobicContact CG1-CE2 3.69Å; V326-F330 HydrophobicContact CG1-CZ 3.36Å; V326-F330 WeakPolarHBondContact O-CG 3.43Å; V326-F330 PolarHBondContact O-N 3.46Å; W327-F330 HydrophobicContact CD2-CD2 4.27Å; W327-F330 HydrophobicContact CD2-CE2 4.48Å; W327-F330 AromaticContact CE3-CD2 3.73Å; W327-F330 HydrophobicContact CE3-CD2 3.73Å; W327-F330 AromaticContact CE3-CE2 3.59Å; W327-F330 HydrophobicContact CE3-CE2 3.59Å; W327-F330 HydrophobicContact CH2-CE2 4.01Å; W327-F330 AromaticContact CZ3-CD2 3.94Å; W327-F330 HydrophobicContact CZ3-CD2 3.94Å; W327-F330 AromaticContact CZ3-CE2 3.32Å; W327-F330 HydrophobicContact CZ3-CE2 3.32Å; W327-F330 HydrophobicContact CZ3-CZ 4.16Å; W327-F330 PolarHBondContact O-N 3.07Å; M328-F330 VanDerWaalsContact C-N 3.26Å; M328-F330 PolarHBondContact O-N 3.36Å; F330-Q332 PolarHBondContact O-N 3.41Å; F330-Q332 VanDerWaalsContact O-N 3.07Å; F330-A333 WeakPolarHBondContact O-CB 3.37Å; F330-A333 PolarHBondContact O-N 3.31Å |
| 331 | A | 94.9 | Very high | 91.1 | Very high | 37 Ų | 37 | 25.3 Ų | 25.3 | 31% | 0.306 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -57.7 | -24.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I31 W327 M328 A333 G334 | I31-A331 HydrophobicContact CD1-CB 4.4Å; W327-A331 WeakPolarHBondContact O-CB 3.45Å; W327-A331 PolarHBondContact O-N 3.11Å; M328-A331 PolarHBondContact O-N 3.47Å; A331-A333 PolarHBondContact O-N 3.27Å; A331-A333 VanDerWaalsContact O-N 3.11Å; A331-G334 PolarHBondContact O-N 3.2Å |
| 332 | Q | 95.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 1% | 0.014 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -51 | -34.6 | 172.8 | 179.4 | 61.1 | 25.6 | 0 | 0 | 112.9 | F294 F295 L298 M328 S329 F330 G334 V335 | F294-Q332 PolarHBondContact O-OE1 2.97Å; F295-Q332 VanDerWaalsContact CA-OE1 3.31Å; F295-Q332 HydrophobicContact CD2-CG 4.01Å; L298-Q332 HydrophobicContact CB-CB 4.46Å; L298-Q332 HydrophobicContact CD1-CB 4.33Å; L298-Q332 VanDerWaalsContact CD1-OE1 3.32Å; M328-Q332 PolarHBondContact O-N 2.92Å; S329-Q332 WeakPolarHBondContact O-CB 3.48Å; F330-Q332 PolarHBondContact O-N 3.41Å; F330-Q332 VanDerWaalsContact O-N 3.07Å; Q332-G334 PolarHBondContact O-N 2.93Å; Q332-G334 VanDerWaalsContact O-N 3.15Å; Q332-V335 VanDerWaalsContact O-CB 3.32Å; Q332-V335 WeakPolarHBondContact O-CB 3.43Å; Q332-V335 WeakPolarHBondContact O-CG2 3.4Å; Q332-V335 PolarHBondContact O-N 2.96Å |
| 333 | A | 93.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -59.7 | -28.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N39 R70 S71 F75 F330 A331 | N39-A333 PolarHBondContact ND2-O 3.33Å; R70-A333 VanDerWaalsContact NH2-CA 3.33Å; S71-A333 WeakPolarHBondContact OG-CB 3.4Å; F75-A333 HydrophobicContact CE2-CB 3.76Å; F75-A333 HydrophobicContact CZ-CB 4.26Å; F330-A333 WeakPolarHBondContact O-CB 3.37Å; F330-A333 PolarHBondContact O-N 3.31Å; A331-A333 PolarHBondContact O-N 3.27Å; A331-A333 VanDerWaalsContact O-N 3.11Å |
| 334 | G | 91.4 | Very high | 88.5 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 6% | 0.062 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -86.6 | -4.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A331 Q332 P337 F338 | A331-G334 PolarHBondContact O-N 3.2Å; Q332-G334 PolarHBondContact O-N 2.93Å; Q332-G334 VanDerWaalsContact O-N 3.15Å; G334-P337 WeakPolarHBondContact O-CD 3.33Å; G334-F338 WeakPolarHBondContact O-CD2 3.45Å |
| 335 | V | 91.9 | Very high | 87.3 | Confident | 13 Ų | 13 | 32.2 Ų | 32.2 | 8% | 0.079 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -73.4 | -40.8 | -169 | 169.4 | 0 | 0 | 0 | 0 | 113 | F294 L298 Q332 F338 I339 | F294-V335 HydrophobicContact CB-CG1 3.75Å; F294-V335 HydrophobicContact CG-CG1 4.24Å; L298-V335 HydrophobicContact CD1-CG2 3.47Å; L298-V335 VanDerWaalsContact CD1-CG2 3.47Å; Q332-V335 VanDerWaalsContact O-CB 3.32Å; Q332-V335 WeakPolarHBondContact O-CB 3.43Å; Q332-V335 WeakPolarHBondContact O-CG2 3.4Å; Q332-V335 PolarHBondContact O-N 2.96Å; V335-F338 PolarHBondContact O-N 2.77Å; V335-I339 HydrophobicContact CG1-CD1 3.29Å; V335-I339 HydrophobicContact CG1-CG1 4.04Å; V335-I339 WeakPolarHBondContact O-CG1 3.42Å; V335-I339 PolarHBondContact O-N 3.37Å |
| 336 | N | 91.6 | Very high | 86 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60 | -48.3 | -174.3 | -49.4 | -28.2 | 0 | 0 | 0 | 112.3 | D67 M291 F338 I339 C340 | D67-N336 PolarHBondContact OD2-ND2 3.18Å; M291-N336 HydrophobicContact CE-CB 3.86Å; M291-N336 WeakPolarHBondContact CE-OD1 3.36Å; N336-F338 PolarHBondContact O-N 3.3Å; N336-I339 PolarHBondContact O-N 2.96Å; N336-C340 VanDerWaalsContact O-CB 3.3Å; N336-C340 WeakPolarHBondContact O-CB 3.37Å; N336-C340 PolarHBondContact O-N 3.43Å; N336-C340 PolarHBondContact O-SG 3.43Å |
| 337 | P | 89.5 | Confident | 84.7 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 4% | 0.039 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 178.3 | -24.3 | 36.3 | 0 | 0 | 0 | 112.8 | N39 I42 G334 I339 C340 I341 | N39-P337 WeakPolarHBondContact OD1-CD 3.19Å; I42-P337 HydrophobicContact CG1-CB 4.18Å; I42-P337 HydrophobicContact CG1-CG 4.44Å; G334-P337 WeakPolarHBondContact O-CD 3.33Å; P337-I339 PolarHBondContact O-N 3.26Å; P337-C340 PolarHBondContact O-N 2.96Å; P337-I341 WeakPolarHBondContact O-CB 3.23Å; P337-I341 WeakPolarHBondContact O-CD1 3.31Å; P337-I341 VanDerWaalsContact O-CG1 3.24Å; P337-I341 WeakPolarHBondContact O-CG1 3.4Å; P337-I341 PolarHBondContact O-N 3.44Å |
| 338 | F | 87.3 | Confident | 83.7 | Confident | 99 Ų | 99 | 37.8 Ų | 37.8 | 43% | 0.434 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.8 | -51.3 | 177.1 | -73.5 | -60.9 | 0 | 0 | 0 | 111.1 | V34 G334 V335 N336 C340 I341 F342 | V34-F338 HydrophobicContact CG1-CE2 3.74Å; V34-F338 HydrophobicContact CG1-CZ 4.09Å; G334-F338 WeakPolarHBondContact O-CD2 3.45Å; V335-F338 PolarHBondContact O-N 2.77Å; N336-F338 PolarHBondContact O-N 3.3Å; F338-C340 VanDerWaalsContact C-N 3.32Å; F338-C340 PolarHBondContact O-N 3.25Å; F338-I341 PolarHBondContact O-N 3.23Å; F338-F342 HydrophobicContact CB-CD2 4.49Å; F338-F342 HydrophobicContact CD1-CE2 4.16Å; F338-F342 WeakPolarHBondContact O-CD2 3.39Å; F338-F342 PolarHBondContact O-N 2.95Å |
| 339 | I | 88.1 | Confident | 82.4 | Confident | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.062 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.2 | -40.3 | -177.6 | -65.4 | 173.7 | 0 | 0 | 0 | 111.3 | M287 I290 M291 F294 V335 N336 P337 I341 F342 S343 | M287-I339 HydrophobicContact CG-CG2 3.76Å; I290-I339 HydrophobicContact CG2-CD1 3.9Å; I290-I339 HydrophobicContact CG2-CG1 4.22Å; I290-I339 HydrophobicContact CG2-CG2 4.35Å; M291-I339 VanDerWaalsContact CA-CD1 3.48Å; M291-I339 HydrophobicContact CB-CD1 4.07Å; M291-I339 HydrophobicContact CG-CB 4.09Å; M291-I339 HydrophobicContact CG-CD1 3.59Å; M291-I339 HydrophobicContact CG-CG1 4.46Å; M291-I339 HydrophobicContact CG-CG2 3.75Å; F294-I339 HydrophobicContact CD2-CD1 3.81Å; F294-I339 HydrophobicContact CE2-CD1 4.48Å; F294-I339 HydrophobicContact CG-CD1 4.45Å; V335-I339 HydrophobicContact CG1-CD1 3.29Å; V335-I339 HydrophobicContact CG1-CG1 4.04Å; V335-I339 WeakPolarHBondContact O-CG1 3.42Å; V335-I339 PolarHBondContact O-N 3.37Å; N336-I339 PolarHBondContact O-N 2.96Å; P337-I339 PolarHBondContact O-N 3.26Å; I339-I341 PolarHBondContact O-N 2.85Å; I339-F342 PolarHBondContact O-N 2.92Å; I339-S343 WeakPolarHBondContact O-CA 3.28Å; I339-S343 WeakPolarHBondContact O-CB 3.15Å; I339-S343 PolarHBondContact O-N 2.89Å; I339-S343 PolarHBondContact O-OG 3.46Å |
| 340 | C | 84 | Confident | 80.9 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -43.3 | 178.3 | -72 | 0 | 0 | 0 | 0 | 112 | I42 N336 P337 F338 N344 L347 | I42-C340 HydrophobicContact CD1-CB 3.73Å; I42-C340 HydrophobicContact CG1-CB 4.38Å; N336-C340 VanDerWaalsContact O-CB 3.3Å; N336-C340 WeakPolarHBondContact O-CB 3.37Å; N336-C340 PolarHBondContact O-N 3.43Å; N336-C340 PolarHBondContact O-SG 3.43Å; P337-C340 PolarHBondContact O-N 2.96Å; F338-C340 VanDerWaalsContact C-N 3.32Å; F338-C340 PolarHBondContact O-N 3.25Å; C340-N344 PolarHBondContact O-N 3.46Å; C340-L347 HydrophobicContact CB-CD1 3.8Å |
| 341 | I | 78.9 | Confident | 79.7 | Confident | 56 Ų | 56 | 46.4 Ų | 46.4 | 29% | 0.287 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -66.3 | -47.3 | 177.2 | -67.5 | 166.5 | 0 | 0 | 0 | 110.5 | P337 F338 I339 R348 | P337-I341 WeakPolarHBondContact O-CB 3.23Å; P337-I341 WeakPolarHBondContact O-CD1 3.31Å; P337-I341 VanDerWaalsContact O-CG1 3.24Å; P337-I341 WeakPolarHBondContact O-CG1 3.4Å; P337-I341 PolarHBondContact O-N 3.44Å; F338-I341 PolarHBondContact O-N 3.23Å; I339-I341 PolarHBondContact O-N 2.85Å; I341-R348 HydrophobicContact CG2-CG 4.38Å; I341-R348 WeakPolarHBondContact O-CD 3.27Å; I341-R348 WeakPolarHBondContact O-CG 3.49Å; I341-R348 PolarHBondContact O-NE 3.02Å |
| 342 | F | 75.6 | Confident | 78.3 | Confident | 147 Ų | 147 | 47.5 Ų | 47.5 | 65% | 0.645 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -75.7 | -42.2 | -175.8 | -71.9 | -69.5 | 0 | 0 | 0 | 113.2 | F338 I339 R348 | F338-F342 HydrophobicContact CB-CD2 4.49Å; F338-F342 HydrophobicContact CD1-CE2 4.16Å; F338-F342 WeakPolarHBondContact O-CD2 3.39Å; F338-F342 PolarHBondContact O-N 2.95Å; I339-F342 PolarHBondContact O-N 2.92Å; F342-R348 PolarHBondContact O-NH2 2.87Å |
| 343 | S | 70.9 | Confident | 76.9 | Confident | 22 Ų | 22 | 51.8 Ų | 51.8 | 15% | 0.154 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -86.1 | -28.5 | -168.1 | -61 | 0 | 0 | 0 | 0 | 114.1 | I339 | I339-S343 WeakPolarHBondContact O-CA 3.28Å; I339-S343 WeakPolarHBondContact O-CB 3.15Å; I339-S343 PolarHBondContact O-N 2.89Å; I339-S343 PolarHBondContact O-OG 3.46Å |
| 344 | N | 67.6 | Low | 75.6 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.016 | 25% | 0.254 | C | S | . | . | trans | -111.8 | 108.4 | -172.9 | -162.3 | -14.6 | 0 | 0 | 0 | 112.3 | Y57 M287 C340 E346 L347 R348 | Y57-N344 PolarHBondContact OH-ND2 3.21Å; M287-N344 HydrophobicContact SD-CB 4.03Å; C340-N344 PolarHBondContact O-N 3.46Å; N344-E346 VanDerWaalsContact C-N 3.25Å; N344-E346 PolarHBondContact O-N 3.43Å; N344-E346 WeakPolarHBondContact OD1-CB 3.47Å; N344-E346 PolarHBondContact OD1-N 3.23Å; N344-L347 HydrophobicContact CB-CB 4.01Å; N344-L347 HydrophobicContact CB-CD1 3.79Å; N344-L347 HydrophobicContact CB-CG 3.99Å; N344-L347 PolarHBondContact O-N 2.7Å; N344-R348 PolarHBondContact O-N 3.28Å | ||
| 345 | R | 67.8 | Low | 74.4 | Confident | 155 Ų | 155 | 58.1 Ų | 58.1 | 59% | 0.585 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65.6 | -27.7 | 176.4 | -72.9 | -174.9 | 178.7 | -176.8 | -1.1 | 112.6 | R349 | R345-R349 WeakPolarHBondContact O-CG 3.44Å; R345-R349 PolarHBondContact O-N 3.1Å; R345-R349 VanDerWaalsContact O-N 3.1Å |
| 346 | E | 66.6 | Low | 72.9 | Confident | 50 Ų | 50 | 62.3 Ų | 62.3 | 23% | 0.234 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.7 | -50.1 | 177 | -68.9 | 167 | -167.1 | 0 | 0 | 109.9 | Y57 N344 R348 R349 C350 | Y57-E346 PolarHBondContact OH-OE2 3.01Å; N344-E346 VanDerWaalsContact C-N 3.25Å; N344-E346 PolarHBondContact O-N 3.43Å; N344-E346 WeakPolarHBondContact OD1-CB 3.47Å; N344-E346 PolarHBondContact OD1-N 3.23Å; E346-R348 VanDerWaalsContact C-N 3.3Å; E346-R348 PolarHBondContact O-N 2.97Å; E346-R349 PolarHBondContact O-N 3Å; E346-R349 VanDerWaalsContact O-N 3.08Å; E346-C350 PolarHBondContact O-N 3.28Å; E346-C350 PolarHBondContact O-SG 3.5Å |
| 347 | L | 65.7 | Low | 71.1 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.4 | -39.7 | 175.6 | -68.5 | 173.4 | 0 | 0 | 0 | 112.3 | L46 L52 Y57 C340 N344 C350 F351 | L46-L347 HydrophobicContact CD2-CD2 3.83Å; L52-L347 HydrophobicContact CD1-CD2 3.55Å; Y57-L347 HydrophobicContact CE1-CD1 4.5Å; C340-L347 HydrophobicContact CB-CD1 3.8Å; N344-L347 HydrophobicContact CB-CB 4.01Å; N344-L347 HydrophobicContact CB-CD1 3.79Å; N344-L347 HydrophobicContact CB-CG 3.99Å; N344-L347 PolarHBondContact O-N 2.7Å; L347-C350 PolarHBondContact O-N 2.99Å; L347-F351 VanDerWaalsContact O-CB 3.25Å; L347-F351 WeakPolarHBondContact O-CB 3.45Å; L347-F351 PolarHBondContact O-N 2.76Å |
| 348 | R | 72.6 | Confident | 69.3 | Low | 105 Ų | 105 | 73.5 Ų | 73.5 | 40% | 0.396 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 173.5 | -81.7 | -169.6 | -81.9 | 174.4 | -13.3 | 113.4 | I341 F342 N344 E346 F351 S352 | I341-R348 HydrophobicContact CG2-CG 4.38Å; I341-R348 WeakPolarHBondContact O-CD 3.27Å; I341-R348 WeakPolarHBondContact O-CG 3.49Å; I341-R348 PolarHBondContact O-NE 3.02Å; F342-R348 PolarHBondContact O-NH2 2.87Å; N344-R348 PolarHBondContact O-N 3.28Å; E346-R348 VanDerWaalsContact C-N 3.3Å; E346-R348 PolarHBondContact O-N 2.97Å; R348-F351 PolarHBondContact O-N 3.46Å; R348-S352 PolarHBondContact O-N 2.91Å; R348-S352 PolarHBondContact O-OG 2.94Å |
| 349 | R | 67.3 | Low | 67.6 | Low | 176 Ų | 176 | 77.5 Ų | 77.5 | 66% | 0.664 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62.8 | -45.8 | 178.3 | -76.8 | 174 | -179.1 | 170 | -2.5 | 110.7 | R345 E346 F351 S352 T353 | R345-R349 WeakPolarHBondContact O-CG 3.44Å; R345-R349 PolarHBondContact O-N 3.1Å; R345-R349 VanDerWaalsContact O-N 3.1Å; E346-R349 PolarHBondContact O-N 3Å; E346-R349 VanDerWaalsContact O-N 3.08Å; R349-F351 VanDerWaalsContact C-N 3.32Å; R349-F351 PolarHBondContact O-N 2.99Å; R349-S352 PolarHBondContact O-N 2.66Å; R349-T353 PolarHBondContact O-N 2.92Å; R349-T353 PolarHBondContact O-OG1 3.38Å; R349-T353 VanDerWaalsContact O-OG1 3.1Å |
| 350 | C | 64.1 | Low | 65.7 | Low | 24 Ų | 24 | 85 Ų | 85 | 16% | 0.162 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.1 | -36.7 | 179.1 | -57.1 | 0 | 0 | 0 | 0 | 111.9 | L45 D49 E346 L347 T353 T354 | L45-C350 HydrophobicContact CD2-CB 4.47Å; D49-C350 PolarHBondContact OD2-SG 3.38Å; E346-C350 PolarHBondContact O-N 3.28Å; E346-C350 PolarHBondContact O-SG 3.5Å; L347-C350 PolarHBondContact O-N 2.99Å; C350-T353 PolarHBondContact O-N 3.12Å; C350-T354 WeakPolarHBondContact O-CB 3.37Å; C350-T354 PolarHBondContact O-N 3.49Å; C350-T354 PolarHBondContact O-OG1 3.22Å |
| 351 | F | 68.7 | Low | 64 | Low | 53 Ų | 53 | 89.1 Ų | 89.1 | 23% | 0.232 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 172.4 | -178.6 | -116.7 | 0 | 0 | 0 | 111.9 | L41 L45 L347 R348 R349 T353 T354 L355 | L41-F351 HydrophobicContact CD1-CD2 3.95Å; L41-F351 HydrophobicContact CD1-CE2 3.71Å; L41-F351 HydrophobicContact CD2-CD2 3.84Å; L41-F351 HydrophobicContact CD2-CE2 3.2Å; L41-F351 HydrophobicContact CD2-CZ 3.9Å; L41-F351 HydrophobicContact CG-CD2 4.16Å; L41-F351 HydrophobicContact CG-CE2 3.89Å; L45-F351 HydrophobicContact CD1-CB 4Å; L45-F351 HydrophobicContact CD1-CD2 4.03Å; L45-F351 HydrophobicContact CD1-CG 4.47Å; L347-F351 VanDerWaalsContact O-CB 3.25Å; L347-F351 WeakPolarHBondContact O-CB 3.45Å; L347-F351 PolarHBondContact O-N 2.76Å; R348-F351 PolarHBondContact O-N 3.46Å; R349-F351 VanDerWaalsContact C-N 3.32Å; R349-F351 PolarHBondContact O-N 2.99Å; F351-T353 PolarHBondContact O-N 3.34Å; F351-T354 PolarHBondContact O-N 2.95Å; F351-L355 HydrophobicContact CD1-CD1 3.95Å; F351-L355 HydrophobicContact CD2-CD1 4.31Å; F351-L355 HydrophobicContact CE1-CD1 3.42Å; F351-L355 VanDerWaalsContact CE1-CD1 3.42Å; F351-L355 HydrophobicContact CE2-CD1 3.78Å; F351-L355 HydrophobicContact CE2-CG 4.14Å; F351-L355 HydrophobicContact CG-CD1 4.39Å; F351-L355 HydrophobicContact CZ-CD1 3.36Å; F351-L355 HydrophobicContact CZ-CG 4.18Å; F351-L355 WeakPolarHBondContact O-CB 3.42Å; F351-L355 PolarHBondContact O-N 3.32Å |
| 352 | S | 66 | Low | 62.3 | Low | 61 Ų | 61 | 96.7 Ų | 96.7 | 43% | 0.427 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.5 | -42.8 | 176.1 | -62.7 | 0 | 0 | 0 | 0 | 112.4 | R348 R349 L355 L356 | R348-S352 PolarHBondContact O-N 2.91Å; R348-S352 PolarHBondContact O-OG 2.94Å; R349-S352 PolarHBondContact O-N 2.66Å; S352-L355 PolarHBondContact O-N 3.47Å; S352-L356 VanDerWaalsContact O-CB 3.31Å; S352-L356 WeakPolarHBondContact O-CB 3.42Å; S352-L356 WeakPolarHBondContact O-CD1 3.47Å; S352-L356 WeakPolarHBondContact O-CG 3.34Å; S352-L356 PolarHBondContact O-N 2.96Å |
| 353 | T | 66.5 | Low | 60.7 | Low | 93 Ų | 93 | 95.7 Ų | 95.7 | 57% | 0.571 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -66.3 | -38.9 | 178 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | R349 C350 F351 L356 Y357 | R349-T353 PolarHBondContact O-N 2.92Å; R349-T353 PolarHBondContact O-OG1 3.38Å; R349-T353 VanDerWaalsContact O-OG1 3.1Å; C350-T353 PolarHBondContact O-N 3.12Å; F351-T353 PolarHBondContact O-N 3.34Å; T353-L356 PolarHBondContact O-N 3.33Å; T353-Y357 WeakPolarHBondContact O-CB 3.25Å; T353-Y357 PolarHBondContact O-N 3.25Å |
| 354 | T | 66.3 | Low | 59.1 | Low | 40 Ų | 40 | 100.1 Ų | 100.1 | 25% | 0.245 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -67.1 | -43.6 | 177.7 | -56 | 0 | 0 | 0 | 0 | 111.4 | L45 C350 F351 L356 Y357 C358 | L45-T354 HydrophobicContact CD2-CG2 4.37Å; L45-T354 WeakPolarHBondContact CD2-OG1 3.37Å; C350-T354 WeakPolarHBondContact O-CB 3.37Å; C350-T354 PolarHBondContact O-N 3.49Å; C350-T354 PolarHBondContact O-OG1 3.22Å; F351-T354 PolarHBondContact O-N 2.95Å; T354-L356 VanDerWaalsContact C-N 3.35Å; T354-L356 PolarHBondContact O-N 3.39Å; T354-Y357 PolarHBondContact O-N 2.98Å; T354-C358 PolarHBondContact O-N 2.99Å |
| 355 | L | 64.6 | Low | 57.7 | Low | 98 Ų | 98 | 111.5 Ų | 111.5 | 51% | 0.513 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 173 | -84.9 | 169.5 | 0 | 0 | 0 | 112.2 | F351 S352 C358 R359 | F351-L355 HydrophobicContact CD1-CD1 3.95Å; F351-L355 HydrophobicContact CD2-CD1 4.31Å; F351-L355 HydrophobicContact CE1-CD1 3.42Å; F351-L355 VanDerWaalsContact CE1-CD1 3.42Å; F351-L355 HydrophobicContact CE2-CD1 3.78Å; F351-L355 HydrophobicContact CE2-CG 4.14Å; F351-L355 HydrophobicContact CG-CD1 4.39Å; F351-L355 HydrophobicContact CZ-CD1 3.36Å; F351-L355 HydrophobicContact CZ-CG 4.18Å; F351-L355 WeakPolarHBondContact O-CB 3.42Å; F351-L355 PolarHBondContact O-N 3.32Å; S352-L355 PolarHBondContact O-N 3.47Å; L355-C358 PolarHBondContact O-N 2.8Å; L355-R359 WeakPolarHBondContact O-CB 3.44Å; L355-R359 PolarHBondContact O-N 2.78Å |
| 356 | L | 60.6 | Low | 56.4 | Low | 101 Ų | 101 | 111.7 Ų | 111.7 | 53% | 0.529 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.1 | -35.3 | 176.9 | -75.9 | 165.2 | 0 | 0 | 0 | 112.5 | S352 T353 T354 R359 K360 | S352-L356 VanDerWaalsContact O-CB 3.31Å; S352-L356 WeakPolarHBondContact O-CB 3.42Å; S352-L356 WeakPolarHBondContact O-CD1 3.47Å; S352-L356 WeakPolarHBondContact O-CG 3.34Å; S352-L356 PolarHBondContact O-N 2.96Å; T353-L356 PolarHBondContact O-N 3.33Å; T354-L356 VanDerWaalsContact C-N 3.35Å; T354-L356 PolarHBondContact O-N 3.39Å; L356-R359 PolarHBondContact O-N 3.34Å; L356-K360 PolarHBondContact O-N 3.22Å |
| 357 | Y | 54.7 | Low | 55.2 | Low | 180 Ų | 180 | 115.3 Ų | 115.3 | 71% | 0.706 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.8 | -42.6 | 175.1 | -161.7 | -94.3 | 0 | 0 | 0 | 111.3 | T353 T354 R359 K360 S361 | T353-Y357 WeakPolarHBondContact O-CB 3.25Å; T353-Y357 PolarHBondContact O-N 3.25Å; T354-Y357 PolarHBondContact O-N 2.98Å; Y357-R359 PolarHBondContact O-N 2.95Å; Y357-K360 PolarHBondContact O-N 3.35Å; Y357-S361 PolarHBondContact O-N 3.49Å; Y357-S361 PolarHBondContact O-OG 3.31Å |
| 358 | C | 52 | Low | 53.8 | Low | 65 Ų | 65 | 125.3 Ų | 125.3 | 44% | 0.439 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.3 | -24 | 170.8 | -73.9 | 0 | 0 | 0 | 0 | 113.5 | T354 L355 S361 R362 | T354-C358 PolarHBondContact O-N 2.99Å; L355-C358 PolarHBondContact O-N 2.8Å; C358-S361 WeakPolarHBondContact CA-OG 3.45Å; C358-S361 PolarHBondContact O-OG 3.47Å; C358-S361 VanDerWaalsContact O-OG 3.11Å; C358-R362 WeakPolarHBondContact O-CG 3.36Å |
| 359 | R | 51 | Low | 52.1 | Low | 184 Ų | 184 | 126 Ų | 126 | 69% | 0.694 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -80.4 | -40.4 | 172.9 | -170.6 | 176.5 | 176.4 | -178.4 | -1.1 | 111.9 | L355 L356 Y357 S361 R362 | L355-R359 WeakPolarHBondContact O-CB 3.44Å; L355-R359 PolarHBondContact O-N 2.78Å; L356-R359 PolarHBondContact O-N 3.34Å; Y357-R359 PolarHBondContact O-N 2.95Å; R359-S361 VanDerWaalsContact C-N 3.33Å; R359-S361 PolarHBondContact O-N 2.88Å; R359-R362 PolarHBondContact O-N 3.34Å |
| 360 | K | 47.6 | Very low | 50.8 | Low | 169 Ų | 169 | 123.9 Ų | 123.9 | 74% | 0.735 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.2 | -31.9 | 174.5 | -96.9 | -174.7 | 174.6 | -175.6 | 0 | 112.8 | L356 Y357 R362 | L356-K360 PolarHBondContact O-N 3.22Å; Y357-K360 PolarHBondContact O-N 3.35Å; K360-R362 PolarHBondContact O-N 3.46Å |
| 361 | S | 48.2 | Very low | 49.8 | Very low | 86 Ų | 86 | 133.4 Ų | 133.4 | 60% | 0.601 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -6.7 | 174.8 | 65.3 | 0 | 0 | 0 | 0 | 114.4 | Y357 C358 R359 | Y357-S361 PolarHBondContact O-N 3.49Å; Y357-S361 PolarHBondContact O-OG 3.31Å; C358-S361 WeakPolarHBondContact CA-OG 3.45Å; C358-S361 PolarHBondContact O-OG 3.47Å; C358-S361 VanDerWaalsContact O-OG 3.11Å; R359-S361 VanDerWaalsContact C-N 3.33Å; R359-S361 PolarHBondContact O-N 2.88Å |
| 362 | R | 44.8 | Very low | 48.8 | Very low | 216 Ų | 216 | 137.4 Ų | 137.4 | 82% | 0.815 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | 0.2 | 176.4 | -74.4 | -173.3 | -161.3 | -130.2 | 4.5 | 114.1 | C358 R359 K360 | C358-R362 WeakPolarHBondContact O-CG 3.36Å; R359-R362 PolarHBondContact O-N 3.34Å; K360-R362 PolarHBondContact O-N 3.46Å |
| 363 | L | 41.1 | Very low | 47.9 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 65% | 0.654 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -87.7 | 124.2 | 166.7 | -84.8 | 142.6 | 0 | 0 | 0 | 107.5 | R365 | L363-R365 PolarHBondContact O-N 3.48Š|
| 364 | P | 38.3 | Very low | 46.9 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 75% | 0.753 | 71% | 0.708 | S | S | * | * | trans | -58.1 | 126.2 | 173.5 | 24.6 | -30.9 | 0 | 0 | 0 | 107.8 | E366 | P364-E366 PolarHBondContact O-N 2.97Å; P364-E366 VanDerWaalsContact O-N 3.07Å | ||
| 365 | R | 38.1 | Very low | 45.7 | Very low | 242 Ų | 242 | 150.2 Ų | 150.2 | 91% | 0.913 | 74% | 0.735 | S | S | * | * | trans | -59.9 | 111.9 | 167.4 | -84.3 | 177.8 | 168.4 | 177.8 | -5 | 106.4 | L363 | L363-R365 PolarHBondContact O-N 3.48Š| ||
| 366 | E | 40.5 | Very low | 44.6 | Very low | 159 Ų | 159 | 153.5 Ų | 153.5 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | -53 | 130.2 | 163.1 | -79.9 | -174.5 | 152.5 | 0 | 0 | 108.2 | P364 Y368 | P364-E366 PolarHBondContact O-N 2.97Å; P364-E366 VanDerWaalsContact O-N 3.07Å; E366-Y368 PolarHBondContact O-N 3.2Å; E366-Y368 VanDerWaalsContact O-N 3.13Å | ||
| 367 | P | 39.6 | Very low | 43.5 | Very low | 125 Ų | 125 | 157 Ų | 157 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | trans | -70.9 | 109.7 | 173.7 | 28.2 | -29.2 | 0 | 0 | 0 | 107.5 | C369 | P367-C369 PolarHBondContact O-N 3.13Š| ||
| 368 | Y | 37.2 | Very low | 42.7 | Very low | 214 Ų | 214 | 155.4 Ų | 155.4 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | -61.8 | 103.8 | 163.2 | -71.1 | -84.3 | 0 | 0 | 0 | 107.8 | E366 V370 | E366-Y368 PolarHBondContact O-N 3.2Å; E366-Y368 VanDerWaalsContact O-N 3.13Å; Y368-V370 PolarHBondContact O-N 3.07Å | ||
| 369 | C | 36.1 | Very low | 42 | Very low | 119 Ų | 119 | 162.3 Ų | 162.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -74.6 | 116.1 | 165.8 | -144.3 | 0 | 0 | 0 | 0 | 107 | P367 | P367-C369 PolarHBondContact O-N 3.13Š| ||
| 370 | V | 41.2 | Very low | 41.2 | Very low | 131 Ų | 131 | 160.5 Ų | 160.5 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -92.2 | 114.9 | 168 | -177.6 | 0 | 0 | 0 | 0 | 106.3 | Y368 | Y368-V370 PolarHBondContact O-N 3.07Š| ||
| 371 | I | 41.7 | Very low | 40.6 | Very low | 224 Ų | 224 | 159.7 Ų | 159.7 | 100% | 1.149 | 81% | 0.807 | S | S | * | * | trans | -124.3 | 0 | 152.2 | -62.6 | -179.5 | 0 | 0 | 0 | 106.2 |
Retrieved 371 of 371 residues in 456 ms
(Link to these results)