| 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 | 47.3 | Very low | 48.9 | Very low | 249 Ų | 249 | 174.6 Ų | 174.6 | 100% | 1.227 | 89% | 0.888 | S | S | * | * | 0 | 111.6 | 0 | -85 | 177.9 | 169.2 | 0 | 0 | 110.9 | |||||
| 2 | R | 33.6 | Very low | 49.3 | Very low | 253 Ų | 253 | 171.9 Ų | 171.9 | 96% | 0.955 | 88% | 0.875 | S | S | * | * | trans | -167.9 | 119.1 | 152.2 | -130.7 | -179.3 | -174.5 | -178.2 | 2.5 | 106.7 | ||||
| 3 | V | 45.5 | Very low | 49 | Very low | 102 Ų | 102 | 170 Ų | 170 | 62% | 0.618 | 87% | 0.867 | S | S | * | * | trans | -109.4 | 126.2 | -177.3 | -175.9 | 0 | 0 | 0 | 0 | 108.6 | F5 | V3-F5 HydrophobicContact CB-CE2 4.25Å; V3-F5 HydrophobicContact CG1-CD2 3.93Å; V3-F5 HydrophobicContact CG1-CE1 4.46Å; V3-F5 HydrophobicContact CG1-CE2 3.52Å; V3-F5 HydrophobicContact CG1-CZ 3.82Å | ||
| 4 | R | 51.5 | Low | 49.3 | Very low | 248 Ų | 248 | 166 Ų | 166 | 94% | 0.936 | 85% | 0.847 | S | S | * | * | trans | -104.8 | 122.7 | 169.4 | -118.3 | -178.8 | -170.8 | 174.4 | 2.3 | 107.4 | ||||
| 5 | F | 46.8 | Very low | 49.9 | Very low | 190 Ų | 190 | 163.5 Ų | 163.5 | 83% | 0.833 | 83% | 0.834 | S | S | * | * | trans | -92.3 | 135.3 | 175.2 | -76.3 | -85 | 0 | 0 | 0 | 110.6 | V3 | V3-F5 HydrophobicContact CB-CE2 4.25Å; V3-F5 HydrophobicContact CG1-CD2 3.93Å; V3-F5 HydrophobicContact CG1-CE1 4.46Å; V3-F5 HydrophobicContact CG1-CE2 3.52Å; V3-F5 HydrophobicContact CG1-CZ 3.82Å | ||
| 6 | C | 50.7 | Low | 50.2 | Low | 128 Ų | 128 | 162.4 Ų | 162.4 | 87% | 0.865 | 83% | 0.829 | S | S | * | * | trans | -103 | 140.9 | 171.7 | -107 | 0 | 0 | 0 | 0 | 110.1 | K8 | C6-K8 VanDerWaalsContact C-N 3.29Å; C6-K8 PolarHBondContact O-N 2.86Å; C6-K8 VanDerWaalsContact O-N 3.15Å | ||
| 7 | T | 49.7 | Very low | 50.7 | Low | 144 Ų | 144 | 161.2 Ų | 161.2 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -79.8 | 19.2 | -166.5 | 38 | 0 | 0 | 0 | 0 | 116 | ||
| 8 | K | 54.7 | Low | 51.2 | Low | 189 Ų | 189 | 158.1 Ų | 158.1 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -138.2 | 84.1 | -178.8 | -66.2 | -170.9 | 179.8 | -177.8 | 0 | 112.9 | C6 N10 | C6-K8 VanDerWaalsContact C-N 3.29Å; C6-K8 PolarHBondContact O-N 2.86Å; C6-K8 VanDerWaalsContact O-N 3.15Å; K8-N10 VanDerWaalsContact C-N 3.32Å; K8-N10 PolarHBondContact O-N 3.15Å |
| 9 | G | 57.7 | Low | 51.8 | Low | 84 Ų | 84 | 155.3 Ų | 155.3 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 64 | -5.6 | 139.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||
| 10 | N | 51.6 | Low | 52.4 | Low | 150 Ų | 150 | 155.2 Ų | 155.2 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -103.3 | 116.7 | 178.7 | -74.5 | -15.6 | 0 | 0 | 0 | 111.5 | K8 I12 | K8-N10 VanDerWaalsContact C-N 3.32Å; K8-N10 PolarHBondContact O-N 3.15Å; N10-I12 PolarHBondContact O-N 3.25Å | ||
| 11 | L | 49.4 | Very low | 53 | Low | 184 Ų | 184 | 152.9 Ų | 152.9 | 96% | 0.963 | 78% | 0.778 | S | S | * | * | trans | -66.3 | 111.2 | 172.1 | -85 | 150.6 | 0 | 0 | 0 | 109.8 | ||||
| 12 | I | 53.5 | Low | 53.8 | Low | 142 Ų | 142 | 142.9 Ų | 142.9 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | trans | -91.3 | 105.1 | 168 | -57.8 | 176 | 0 | 0 | 0 | 107.1 | N10 I14 | N10-I12 PolarHBondContact O-N 3.25Å; I12-I14 HydrophobicContact CG2-CG1 3.83Å; I12-I14 PolarHBondContact O-N 3.08Å; I12-I14 VanDerWaalsContact O-N 3.08Å | ||
| 13 | L | 45.3 | Very low | 55.6 | Low | 147 Ų | 147 | 135.3 Ų | 135.3 | 77% | 0.77 | 71% | 0.71 | S | S | * | * | trans | -72.5 | 95.2 | 168.9 | -172 | 75.9 | 0 | 0 | 0 | 108.1 | I15 | L13-I15 HydrophobicContact CD2-CD1 4.02Å; L13-I15 HydrophobicContact CD2-CG1 3.82Å; L13-I15 HydrophobicContact CG-CG1 3.97Å; L13-I15 PolarHBondContact O-N 3.13Å; L13-I15 VanDerWaalsContact O-N 3.13Å | ||
| 14 | I | 53.5 | Low | 57.1 | Low | 114 Ų | 114 | 136.7 Ų | 136.7 | 59% | 0.585 | 71% | 0.71 | S | S | * | * | trans | -80 | 93.2 | 170.4 | -56.4 | 175.3 | 0 | 0 | 0 | 106.5 | I12 I16 | I12-I14 HydrophobicContact CG2-CG1 3.83Å; I12-I14 PolarHBondContact O-N 3.08Å; I12-I14 VanDerWaalsContact O-N 3.08Å; I14-I16 HydrophobicContact CG2-CG1 4.11Å; I14-I16 PolarHBondContact O-N 3.05Å; I14-I16 VanDerWaalsContact O-N 3.1Å | ||
| 15 | I | 57.8 | Low | 58.2 | Low | 129 Ų | 129 | 132.4 Ų | 132.4 | 66% | 0.662 | 69% | 0.694 | S | S | * | * | trans | -69.4 | 103.9 | 166.3 | -57 | 173.8 | 0 | 0 | 0 | 105.7 | L13 E17 | L13-I15 HydrophobicContact CD2-CD1 4.02Å; L13-I15 HydrophobicContact CD2-CG1 3.82Å; L13-I15 HydrophobicContact CG-CG1 3.97Å; L13-I15 PolarHBondContact O-N 3.13Å; L13-I15 VanDerWaalsContact O-N 3.13Å; I15-E17 VanDerWaalsContact C-N 3.28Å; I15-E17 PolarHBondContact O-N 3.1Å | ||
| 16 | I | 55.2 | Low | 59.8 | Low | 145 Ų | 145 | 130.1 Ų | 130.1 | 74% | 0.744 | 68% | 0.684 | S | S | * | * | trans | -75.8 | 90.9 | 169.6 | -57.7 | 171.3 | 0 | 0 | 0 | 105 | I14 D18 | I14-I16 HydrophobicContact CG2-CG1 4.11Å; I14-I16 PolarHBondContact O-N 3.05Å; I14-I16 VanDerWaalsContact O-N 3.1Å; I16-D18 PolarHBondContact O-N 3.32Å | ||
| 17 | E | 59.2 | Low | 61.2 | Low | 142 Ų | 142 | 127 Ų | 127 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | trans | -61.6 | 123.9 | 162.8 | -87.8 | -176.5 | 162.8 | 0 | 0 | 107.6 | I15 V19 | I15-E17 VanDerWaalsContact C-N 3.28Å; I15-E17 PolarHBondContact O-N 3.1Å; E17-V19 PolarHBondContact O-N 3.08Å | ||
| 18 | D | 58.9 | Low | 62.8 | Low | 106 Ų | 106 | 123.4 Ų | 123.4 | 57% | 0.567 | 64% | 0.638 | S | S | * | * | trans | -60.1 | 108.5 | 179.9 | -133.8 | -25.5 | 0 | 0 | 0 | 108.1 | I16 E20 E21 S22 | I16-D18 PolarHBondContact O-N 3.32Å; D18-E20 PolarHBondContact O-N 3.23Å; D18-E20 VanDerWaalsContact O-N 3.08Å; D18-E21 HydrophobicContact CB-CB 4.08Å; D18-E21 PolarHBondContact O-N 3.03Å; D18-S22 PolarHBondContact O-N 3.08Å; D18-S22 VanDerWaalsContact O-N 3.08Å | ||
| 19 | V | 62.6 | Low | 64.1 | Low | 105 Ų | 105 | 120 Ų | 120 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -57.7 | -30.7 | -172.2 | 172.7 | 0 | 0 | 0 | 0 | 110.2 | E17 I23 | E17-V19 PolarHBondContact O-N 3.08Å; V19-I23 HydrophobicContact CG1-CD1 3.9Å; V19-I23 WeakPolarHBondContact O-CD1 3.32Å; V19-I23 WeakPolarHBondContact O-CG1 3.31Å; V19-I23 PolarHBondContact O-N 3.06Å |
| 20 | E | 63.6 | Low | 65.2 | Low | 153 Ų | 153 | 123.2 Ų | 123.2 | 72% | 0.715 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -67.9 | -44.9 | 177.8 | -142.9 | 144.4 | -149.1 | 0 | 0 | 112.1 | D18 S22 I23 E24 | D18-E20 PolarHBondContact O-N 3.23Å; D18-E20 VanDerWaalsContact O-N 3.08Å; E20-S22 PolarHBondContact O-N 3.18Å; E20-I23 PolarHBondContact O-N 2.96Å; E20-E24 PolarHBondContact O-N 3.49Å |
| 21 | E | 64.3 | Low | 66.8 | Low | 106 Ų | 106 | 123.3 Ų | 123.3 | 50% | 0.495 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -64.3 | -42.5 | 175.8 | -157.5 | -170.1 | 161.4 | 0 | 0 | 111 | D18 I23 E24 W25 | D18-E21 HydrophobicContact CB-CB 4.08Å; D18-E21 PolarHBondContact O-N 3.03Å; E21-I23 VanDerWaalsContact C-N 3.29Å; E21-I23 PolarHBondContact O-N 3Å; E21-E24 PolarHBondContact O-N 3.23Å; E21-W25 PolarHBondContact O-N 3.34Å; E21-W25 PolarHBondContact OE1-NE1 3.01Å |
| 22 | S | 64.1 | Low | 68.4 | Low | 39 Ų | 39 | 121.4 Ų | 121.4 | 27% | 0.273 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.8 | -33.8 | 173.9 | -108.1 | 0 | 0 | 0 | 0 | 113.6 | D18 E20 K26 | D18-S22 PolarHBondContact O-N 3.08Å; D18-S22 VanDerWaalsContact O-N 3.08Å; E20-S22 PolarHBondContact O-N 3.18Å; S22-K26 VanDerWaalsContact O-CG 3.31Å; S22-K26 WeakPolarHBondContact O-CG 3.44Å; S22-K26 PolarHBondContact O-N 2.92Å |
| 23 | I | 72.4 | Confident | 69.9 | Low | 95 Ų | 95 | 120.1 Ų | 120.1 | 49% | 0.487 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -72.3 | -43.8 | 175.6 | -70.7 | 162.2 | 0 | 0 | 0 | 110.2 | V19 E20 E21 K26 T27 | V19-I23 HydrophobicContact CG1-CD1 3.9Å; V19-I23 WeakPolarHBondContact O-CD1 3.32Å; V19-I23 WeakPolarHBondContact O-CG1 3.31Å; V19-I23 PolarHBondContact O-N 3.06Å; E20-I23 PolarHBondContact O-N 2.96Å; E21-I23 VanDerWaalsContact C-N 3.29Å; E21-I23 PolarHBondContact O-N 3Å; I23-K26 PolarHBondContact O-N 3.27Å; I23-T27 HydrophobicContact CG2-CG2 4.47Å; I23-T27 WeakPolarHBondContact O-CG2 3.15Å; I23-T27 PolarHBondContact O-N 3.34Å |
| 24 | E | 76.2 | Confident | 71.9 | Confident | 131 Ų | 131 | 119.9 Ų | 119.9 | 61% | 0.612 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.3 | -48.7 | 176.5 | -75.4 | -161.9 | 146.8 | 0 | 0 | 111.9 | E20 E21 K26 T27 V28 | E20-E24 PolarHBondContact O-N 3.49Å; E21-E24 PolarHBondContact O-N 3.23Å; E24-K26 VanDerWaalsContact C-N 3.3Å; E24-K26 PolarHBondContact O-N 3.47Å; E24-T27 PolarHBondContact O-N 3.04Å; E24-T27 PolarHBondContact O-OG1 3Å; E24-V28 WeakPolarHBondContact O-CG2 3.43Å; E24-V28 PolarHBondContact O-N 3.45Å |
| 25 | W | 75.3 | Confident | 73.6 | Confident | 158 Ų | 158 | 122.5 Ų | 122.5 | 60% | 0.598 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -57.4 | -41 | 176.7 | -72.9 | 117.5 | 0 | 0 | 0 | 112.6 | E21 V28 Q29 | E21-W25 PolarHBondContact O-N 3.34Å; E21-W25 PolarHBondContact OE1-NE1 3.01Å; W25-V28 PolarHBondContact O-N 2.94Å; W25-Q29 WeakPolarHBondContact O-CB 3.22Å; W25-Q29 VanDerWaalsContact O-CG 3.22Å; W25-Q29 WeakPolarHBondContact O-CG 3.39Å; W25-Q29 PolarHBondContact O-N 2.75Å |
| 26 | K | 81.2 | Confident | 75.2 | Confident | 142 Ų | 142 | 121.1 Ų | 121.1 | 62% | 0.617 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.3 | -37.7 | 175 | -76.3 | 172.3 | -175.7 | 168.3 | 0 | 112.6 | S22 I23 E24 K30 | S22-K26 VanDerWaalsContact O-CG 3.31Å; S22-K26 WeakPolarHBondContact O-CG 3.44Å; S22-K26 PolarHBondContact O-N 2.92Å; I23-K26 PolarHBondContact O-N 3.27Å; E24-K26 VanDerWaalsContact C-N 3.3Å; E24-K26 PolarHBondContact O-N 3.47Å; K26-K30 PolarHBondContact O-N 3.26Å |
| 27 | T | 78.8 | Confident | 76.9 | Confident | 63 Ų | 63 | 121 Ų | 121 | 39% | 0.387 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.2 | -39 | 176.7 | 65 | 0 | 0 | 0 | 0 | 112.3 | I23 E24 K30 K31 | I23-T27 HydrophobicContact CG2-CG2 4.47Å; I23-T27 WeakPolarHBondContact O-CG2 3.15Å; I23-T27 PolarHBondContact O-N 3.34Å; E24-T27 PolarHBondContact O-N 3.04Å; E24-T27 PolarHBondContact O-OG1 3Å; T27-K30 PolarHBondContact O-N 3.3Å; T27-K31 WeakPolarHBondContact O-CG 3.46Å; T27-K31 PolarHBondContact O-N 2.89Å |
| 28 | V | 83.3 | Confident | 78.4 | Confident | 67 Ų | 67 | 116.3 Ų | 116.3 | 41% | 0.406 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.3 | -42.9 | 175.3 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | E24 W25 K31 K32 | E24-V28 WeakPolarHBondContact O-CG2 3.43Å; E24-V28 PolarHBondContact O-N 3.45Å; W25-V28 PolarHBondContact O-N 2.94Å; V28-K31 PolarHBondContact O-N 3.38Å; V28-K32 PolarHBondContact O-N 3.38Å |
| 29 | Q | 81.9 | Confident | 80.1 | Confident | 117 Ų | 117 | 118.7 Ų | 118.7 | 55% | 0.547 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.1 | -48.3 | 172.9 | -78 | -88.9 | -17 | 0 | 0 | 111.8 | W25 K31 K32 Q33 | W25-Q29 WeakPolarHBondContact O-CB 3.22Å; W25-Q29 VanDerWaalsContact O-CG 3.22Å; W25-Q29 WeakPolarHBondContact O-CG 3.39Å; W25-Q29 PolarHBondContact O-N 2.75Å; Q29-K31 PolarHBondContact O-N 3.04Å; Q29-K32 PolarHBondContact O-N 2.96Å; Q29-Q33 WeakPolarHBondContact O-CG 3.4Å; Q29-Q33 PolarHBondContact O-N 3.29Å |
| 30 | K | 82.1 | Confident | 81.6 | Confident | 153 Ų | 153 | 117.9 Ų | 117.9 | 67% | 0.665 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.7 | -44.9 | 175.2 | -82.4 | -179.7 | 176.2 | 176.8 | 0 | 112 | K26 T27 K32 Q33 H34 | K26-K30 PolarHBondContact O-N 3.26Å; T27-K30 PolarHBondContact O-N 3.3Å; K30-K32 PolarHBondContact O-N 2.89Å; K30-Q33 PolarHBondContact O-N 2.94Å; K30-H34 WeakPolarHBondContact O-CB 3.36Å; K30-H34 PolarHBondContact O-N 2.99Å |
| 31 | K | 83.8 | Confident | 83 | Confident | 151 Ų | 151 | 120 Ų | 120 | 66% | 0.657 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.9 | -42.3 | 176.4 | -75.8 | 175.8 | -180 | 173.2 | 0 | 111.8 | T27 V28 Q29 H34 K35 | T27-K31 WeakPolarHBondContact O-CG 3.46Å; T27-K31 PolarHBondContact O-N 2.89Å; V28-K31 PolarHBondContact O-N 3.38Å; Q29-K31 PolarHBondContact O-N 3.04Å; K31-H34 PolarHBondContact O-N 3.3Å; K31-K35 PolarHBondContact O-N 3.36Å |
| 32 | K | 84.4 | Confident | 84.4 | Confident | 145 Ų | 145 | 120.7 Ų | 120.7 | 63% | 0.63 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.1 | -49.5 | 173.9 | -98.9 | 179.7 | 176 | 174.7 | 0 | 111.7 | V28 Q29 K30 H34 K35 V36 | V28-K32 PolarHBondContact O-N 3.38Å; Q29-K32 PolarHBondContact O-N 2.96Å; K30-K32 PolarHBondContact O-N 2.89Å; K32-H34 VanDerWaalsContact C-N 3.28Å; K32-H34 PolarHBondContact O-N 2.9Å; K32-K35 PolarHBondContact O-N 3.33Å; K32-V36 WeakPolarHBondContact O-CG2 3.28Å; K32-V36 PolarHBondContact O-N 3.24Å |
| 33 | Q | 84.1 | Confident | 86 | Confident | 114 Ų | 114 | 122 Ų | 122 | 53% | 0.533 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.3 | -38.6 | 177.2 | -72 | -178.3 | 9.1 | 0 | 0 | 112.1 | Q29 K30 V36 K37 | Q29-Q33 WeakPolarHBondContact O-CG 3.4Å; Q29-Q33 PolarHBondContact O-N 3.29Å; K30-Q33 PolarHBondContact O-N 2.94Å; Q33-V36 PolarHBondContact O-N 3.48Å; Q33-K37 WeakPolarHBondContact O-CB 3.41Å; Q33-K37 PolarHBondContact O-N 2.9Å |
| 34 | H | 86.4 | Confident | 87.1 | Confident | 142 Ų | 142 | 123.5 Ų | 123.5 | 66% | 0.657 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -66.7 | -42.2 | 177.5 | -141 | -73.2 | 0 | 0 | 0 | 112 | K30 K31 K32 K37 A38 | K30-H34 WeakPolarHBondContact O-CB 3.36Å; K30-H34 PolarHBondContact O-N 2.99Å; K31-H34 PolarHBondContact O-N 3.3Å; K32-H34 VanDerWaalsContact C-N 3.28Å; K32-H34 PolarHBondContact O-N 2.9Å; H34-K37 PolarHBondContact O-N 2.9Å; H34-A38 WeakPolarHBondContact O-CB 3.4Å; H34-A38 PolarHBondContact O-N 2.89Å |
| 35 | K | 89.6 | Confident | 88.1 | Confident | 170 Ų | 170 | 119.6 Ų | 119.6 | 74% | 0.739 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.7 | -44.1 | 172.4 | -96.8 | -177.5 | 174.9 | 178.6 | 0 | 111.9 | K31 K32 A38 K39 | K31-K35 PolarHBondContact O-N 3.36Å; K32-K35 PolarHBondContact O-N 3.33Å; K35-A38 PolarHBondContact O-N 2.98Å; K35-K39 WeakPolarHBondContact O-CB 3.24Å; K35-K39 PolarHBondContact O-N 3.37Å |
| 36 | V | 91.2 | Very high | 89.1 | Confident | 100 Ų | 100 | 114 Ų | 114 | 61% | 0.606 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64 | -45.4 | 177.6 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | K32 Q33 A38 K39 L40 | K32-V36 WeakPolarHBondContact O-CG2 3.28Å; K32-V36 PolarHBondContact O-N 3.24Å; Q33-V36 PolarHBondContact O-N 3.48Å; V36-A38 PolarHBondContact O-N 3.41Å; V36-K39 PolarHBondContact O-N 2.87Å; V36-L40 WeakPolarHBondContact O-CB 3.4Å; V36-L40 PolarHBondContact O-N 3.33Å |
| 37 | K | 91.4 | Very high | 89.8 | Confident | 142 Ų | 142 | 111.3 Ų | 111.3 | 62% | 0.617 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61 | -41.9 | 174.8 | -84.3 | -178.9 | 175.6 | 175.8 | 0 | 112.3 | Q33 H34 L40 R41 | Q33-K37 WeakPolarHBondContact O-CB 3.41Å; Q33-K37 PolarHBondContact O-N 2.9Å; H34-K37 PolarHBondContact O-N 2.9Å; K37-L40 PolarHBondContact O-N 2.92Å; K37-R41 WeakPolarHBondContact O-CG 3.43Å; K37-R41 PolarHBondContact O-N 2.91Å |
| 38 | A | 91.8 | Very high | 90.7 | Very high | 43 Ų | 43 | 115.8 Ų | 115.8 | 36% | 0.355 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.3 | -46 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | H34 K35 V36 L40 R41 I42 | H34-A38 WeakPolarHBondContact O-CB 3.4Å; H34-A38 PolarHBondContact O-N 2.89Å; K35-A38 PolarHBondContact O-N 2.98Å; V36-A38 PolarHBondContact O-N 3.41Å; A38-L40 VanDerWaalsContact C-N 3.31Å; A38-L40 PolarHBondContact O-N 3.46Å; A38-R41 WeakPolarHBondContact O-CB 3.24Å; A38-R41 PolarHBondContact O-N 3.43Å; A38-R41 VanDerWaalsContact O-N 3.14Å; A38-I42 WeakPolarHBondContact O-CG1 3.28Å; A38-I42 PolarHBondContact O-N 2.87Å |
| 39 | K | 92.7 | Very high | 91.3 | Very high | 157 Ų | 157 | 117.9 Ų | 117.9 | 68% | 0.683 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.2 | -38.3 | 175.9 | -162.3 | 174 | -175.3 | -179.4 | 0 | 111.9 | K35 V36 I42 T43 | K35-K39 WeakPolarHBondContact O-CB 3.24Å; K35-K39 PolarHBondContact O-N 3.37Å; V36-K39 PolarHBondContact O-N 2.87Å; K39-I42 PolarHBondContact O-N 2.96Å; K39-T43 WeakPolarHBondContact O-CB 3.35Å; K39-T43 VanDerWaalsContact O-CG2 3.28Å; K39-T43 WeakPolarHBondContact O-CG2 3.39Å; K39-T43 PolarHBondContact O-N 3.44Å; K39-T43 PolarHBondContact O-OG1 3.44Å |
| 40 | L | 94.3 | Very high | 92.1 | Very high | 87 Ų | 87 | 117.1 Ų | 117.1 | 46% | 0.455 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65.8 | -36.6 | 174.4 | -172.9 | 64.6 | 0 | 0 | 0 | 112.4 | V36 K37 A38 T43 K44 | V36-L40 WeakPolarHBondContact O-CB 3.4Å; V36-L40 PolarHBondContact O-N 3.33Å; K37-L40 PolarHBondContact O-N 2.92Å; A38-L40 VanDerWaalsContact C-N 3.31Å; A38-L40 PolarHBondContact O-N 3.46Å; L40-T43 VanDerWaalsContact C-OG1 3.32Å; L40-T43 VanDerWaalsContact CA-OG1 3.24Å; L40-T43 WeakPolarHBondContact CA-OG1 3.42Å; L40-T43 PolarHBondContact O-OG1 3.24Å; L40-K44 HydrophobicContact CG-CD 4.31Å; L40-K44 WeakPolarHBondContact O-CB 3.49Å; L40-K44 VanDerWaalsContact O-CG 3.24Å; L40-K44 WeakPolarHBondContact O-CG 3.38Å; L40-K44 PolarHBondContact O-N 3.36Å |
| 41 | R | 93.9 | Very high | 92.8 | Very high | 199 Ų | 199 | 112.8 Ų | 112.8 | 75% | 0.751 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -66.7 | -44.8 | 175.1 | -75.1 | 176.8 | 123.2 | -173.9 | -0.7 | 111.7 | K37 A38 K44 A45 | K37-R41 WeakPolarHBondContact O-CG 3.43Å; K37-R41 PolarHBondContact O-N 2.91Å; A38-R41 WeakPolarHBondContact O-CB 3.24Å; A38-R41 PolarHBondContact O-N 3.43Å; A38-R41 VanDerWaalsContact O-N 3.14Å; R41-K44 PolarHBondContact O-N 2.91Å; R41-A45 WeakPolarHBondContact O-CB 3.38Å; R41-A45 PolarHBondContact O-N 3.38Å |
| 42 | I | 94.6 | Very high | 93.5 | Very high | 120 Ų | 120 | 113.3 Ų | 113.3 | 62% | 0.615 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.3 | -46.5 | 177.9 | -65.4 | 165.4 | 0 | 0 | 0 | 110.4 | A38 K39 A45 A46 | A38-I42 WeakPolarHBondContact O-CG1 3.28Å; A38-I42 PolarHBondContact O-N 2.87Å; K39-I42 PolarHBondContact O-N 2.96Å; I42-A45 PolarHBondContact O-N 3.3Å; I42-A46 WeakPolarHBondContact O-CB 3.24Å; I42-A46 PolarHBondContact O-N 3.46Å |
| 43 | T | 96.2 | Very high | 94.1 | Very high | 65 Ų | 65 | 113 Ų | 113 | 40% | 0.399 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.7 | -43.6 | 177.4 | 49.1 | 0 | 0 | 0 | 0 | 111.8 | K39 L40 A45 A46 V47 | K39-T43 WeakPolarHBondContact O-CB 3.35Å; K39-T43 VanDerWaalsContact O-CG2 3.28Å; K39-T43 WeakPolarHBondContact O-CG2 3.39Å; K39-T43 PolarHBondContact O-N 3.44Å; K39-T43 PolarHBondContact O-OG1 3.44Å; L40-T43 VanDerWaalsContact C-OG1 3.32Å; L40-T43 VanDerWaalsContact CA-OG1 3.24Å; L40-T43 WeakPolarHBondContact CA-OG1 3.42Å; L40-T43 PolarHBondContact O-OG1 3.24Å; T43-A45 VanDerWaalsContact C-N 3.34Å; T43-A45 PolarHBondContact O-N 2.83Å; T43-A46 PolarHBondContact O-N 3.5Å; T43-V47 VanDerWaalsContact O-CG2 3.28Å; T43-V47 WeakPolarHBondContact O-CG2 3.35Å; T43-V47 PolarHBondContact O-N 3Å |
| 44 | K | 96.2 | Very high | 94.8 | Very high | 127 Ų | 127 | 115.3 Ų | 115.3 | 55% | 0.552 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -60.9 | -41 | 173.8 | -76 | 178 | 178.7 | -175.1 | 0 | 112.5 | L40 R41 V47 K48 | L40-K44 HydrophobicContact CG-CD 4.31Å; L40-K44 WeakPolarHBondContact O-CB 3.49Å; L40-K44 VanDerWaalsContact O-CG 3.24Å; L40-K44 WeakPolarHBondContact O-CG 3.38Å; L40-K44 PolarHBondContact O-N 3.36Å; R41-K44 PolarHBondContact O-N 2.91Å; K44-V47 PolarHBondContact O-N 2.95Å; K44-K48 WeakPolarHBondContact O-CG 3.49Å; K44-K48 PolarHBondContact O-N 3.33Å |
| 45 | A | 96 | Very high | 95.3 | Very high | 49 Ų | 49 | 109.7 Ų | 109.7 | 41% | 0.405 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R41 I42 T43 V47 K48 I49 | R41-A45 WeakPolarHBondContact O-CB 3.38Å; R41-A45 PolarHBondContact O-N 3.38Å; I42-A45 PolarHBondContact O-N 3.3Å; T43-A45 VanDerWaalsContact C-N 3.34Å; T43-A45 PolarHBondContact O-N 2.83Å; A45-V47 PolarHBondContact O-N 3.14Å; A45-K48 WeakPolarHBondContact O-CB 3.4Å; A45-K48 PolarHBondContact O-N 2.94Å; A45-I49 WeakPolarHBondContact O-CG1 3.41Å; A45-I49 PolarHBondContact O-N 3.5Å |
| 46 | A | 96.6 | Very high | 95.7 | Very high | 40 Ų | 40 | 102.8 Ų | 102.8 | 33% | 0.331 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.2 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I42 T43 K48 I49 Q50 | I42-A46 WeakPolarHBondContact O-CB 3.24Å; I42-A46 PolarHBondContact O-N 3.46Å; T43-A46 PolarHBondContact O-N 3.5Å; A46-K48 VanDerWaalsContact C-N 3.32Å; A46-K48 PolarHBondContact O-N 2.98Å; A46-I49 PolarHBondContact O-N 3.49Å; A46-Q50 WeakPolarHBondContact O-CB 3.26Å; A46-Q50 VanDerWaalsContact O-CG 3.24Å; A46-Q50 WeakPolarHBondContact O-CG 3.34Å; A46-Q50 PolarHBondContact O-N 3.02Å |
| 47 | V | 96.6 | Very high | 95.9 | Very high | 86 Ų | 86 | 102.8 Ų | 102.8 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -41.7 | 175.4 | 169.6 | 0 | 0 | 0 | 0 | 111.2 | T43 K44 A45 Q50 A51 | T43-V47 VanDerWaalsContact O-CG2 3.28Å; T43-V47 WeakPolarHBondContact O-CG2 3.35Å; T43-V47 PolarHBondContact O-N 3Å; K44-V47 PolarHBondContact O-N 2.95Å; A45-V47 PolarHBondContact O-N 3.14Å; V47-Q50 PolarHBondContact O-N 3.46Å; V47-A51 VanDerWaalsContact O-CB 3.26Å; V47-A51 WeakPolarHBondContact O-CB 3.4Å; V47-A51 PolarHBondContact O-N 3.5Å |
| 48 | K | 97.6 | Very high | 96.3 | Very high | 157 Ų | 157 | 99.8 Ų | 99.8 | 68% | 0.683 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.2 | -45.8 | 175.4 | -75 | -179.7 | 178.1 | -171.3 | 0 | 112 | K44 A45 A46 A51 W52 | K44-K48 WeakPolarHBondContact O-CG 3.49Å; K44-K48 PolarHBondContact O-N 3.33Å; A45-K48 WeakPolarHBondContact O-CB 3.4Å; A45-K48 PolarHBondContact O-N 2.94Å; A46-K48 VanDerWaalsContact C-N 3.32Å; A46-K48 PolarHBondContact O-N 2.98Å; K48-A51 PolarHBondContact O-N 3.41Å; K48-W52 WeakPolarHBondContact O-CB 3.4Å; K48-W52 PolarHBondContact O-N 3.06Å |
| 49 | I | 96.8 | Very high | 96.5 | Very high | 112 Ų | 112 | 105.7 Ų | 105.7 | 57% | 0.574 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.8 | -45.3 | 178.4 | -66 | 167.3 | 0 | 0 | 0 | 110.4 | A45 A46 A51 W52 W53 | A45-I49 WeakPolarHBondContact O-CG1 3.41Å; A45-I49 PolarHBondContact O-N 3.5Å; A46-I49 PolarHBondContact O-N 3.49Å; I49-A51 PolarHBondContact O-N 2.83Å; I49-W52 PolarHBondContact O-N 3.19Å; I49-W53 WeakPolarHBondContact O-CB 3.41Å; I49-W53 PolarHBondContact O-N 3.4Å |
| 50 | Q | 98.1 | Very high | 96.8 | Very high | 101 Ų | 101 | 105.2 Ų | 105.2 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 178.4 | -75 | 177 | -24.3 | 0 | 0 | 112.3 | A46 V47 W53 R54 | A46-Q50 WeakPolarHBondContact O-CB 3.26Å; A46-Q50 VanDerWaalsContact O-CG 3.24Å; A46-Q50 WeakPolarHBondContact O-CG 3.34Å; A46-Q50 PolarHBondContact O-N 3.02Å; V47-Q50 PolarHBondContact O-N 3.46Å; Q50-W53 PolarHBondContact O-N 3.45Å; Q50-R54 WeakPolarHBondContact O-CG 3.44Å; Q50-R54 PolarHBondContact O-N 2.85Å |
| 51 | A | 97.1 | Very high | 96.9 | Very high | 61 Ų | 61 | 104.9 Ų | 104.9 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V47 K48 I49 W53 R54 G55 | V47-A51 VanDerWaalsContact O-CB 3.26Å; V47-A51 WeakPolarHBondContact O-CB 3.4Å; V47-A51 PolarHBondContact O-N 3.5Å; K48-A51 PolarHBondContact O-N 3.41Å; I49-A51 PolarHBondContact O-N 2.83Å; A51-W53 PolarHBondContact O-N 3.22Å; A51-R54 PolarHBondContact O-N 3Å; A51-G55 PolarHBondContact O-N 3.41Å |
| 52 | W | 97.8 | Very high | 97.1 | Very high | 163 Ų | 163 | 100.6 Ų | 100.6 | 62% | 0.617 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.6 | -44.5 | 175.8 | 175.2 | 77.6 | 0 | 0 | 0 | 112.2 | K48 I49 G55 T56 | K48-W52 WeakPolarHBondContact O-CB 3.4Å; K48-W52 PolarHBondContact O-N 3.06Å; I49-W52 PolarHBondContact O-N 3.19Å; W52-G55 PolarHBondContact O-N 3.16Å; W52-T56 WeakPolarHBondContact O-CB 3.45Å; W52-T56 PolarHBondContact O-N 3.08Å; W52-T56 PolarHBondContact O-OG1 2.71Å |
| 53 | W | 97.8 | Very high | 97.3 | Very high | 137 Ų | 137 | 100.3 Ų | 100.3 | 52% | 0.519 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.1 | -47.4 | 179.5 | -171.7 | -111.9 | 0 | 0 | 0 | 112.2 | I49 Q50 A51 G55 T56 L57 | I49-W53 WeakPolarHBondContact O-CB 3.41Å; I49-W53 PolarHBondContact O-N 3.4Å; Q50-W53 PolarHBondContact O-N 3.45Å; A51-W53 PolarHBondContact O-N 3.22Å; W53-G55 VanDerWaalsContact C-N 3.33Å; W53-G55 PolarHBondContact O-N 3.35Å; W53-T56 PolarHBondContact O-N 3.45Å; W53-T56 VanDerWaalsContact O-N 3.15Å; W53-L57 PolarHBondContact O-N 3.39Å |
| 54 | R | 97.3 | Very high | 97.4 | Very high | 163 Ų | 163 | 103.1 Ų | 103.1 | 62% | 0.615 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59 | -43.7 | 176 | -74.2 | -175 | 173.8 | 101.5 | -1.4 | 111.7 | Q50 A51 T56 L57 V58 | Q50-R54 WeakPolarHBondContact O-CG 3.44Å; Q50-R54 PolarHBondContact O-N 2.85Å; A51-R54 PolarHBondContact O-N 3Å; R54-T56 VanDerWaalsContact C-N 3.33Å; R54-T56 PolarHBondContact O-N 2.89Å; R54-L57 PolarHBondContact O-N 3.08Å; R54-V58 WeakPolarHBondContact O-CG2 3.34Å; R54-V58 PolarHBondContact O-N 3.42Å; R54-V58 VanDerWaalsContact O-N 3.08Å |
| 55 | G | 97.6 | Very high | 97.5 | Very high | 24 Ų | 24 | 99.8 Ų | 99.8 | 25% | 0.247 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | A51 W52 W53 R59 | A51-G55 PolarHBondContact O-N 3.41Å; W52-G55 PolarHBondContact O-N 3.16Å; W53-G55 VanDerWaalsContact C-N 3.33Å; W53-G55 PolarHBondContact O-N 3.35Å; G55-R59 WeakPolarHBondContact O-CG 3.36Å; G55-R59 PolarHBondContact O-N 2.93Å; G55-R59 VanDerWaalsContact O-N 3.08Å |
| 56 | T | 97.3 | Very high | 97.5 | Very high | 25 Ų | 25 | 100.2 Ų | 100.2 | 15% | 0.153 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -69.1 | -43 | 177.7 | -56.7 | 0 | 0 | 0 | 0 | 111.6 | W52 W53 R54 R59 R60 | W52-T56 WeakPolarHBondContact O-CB 3.45Å; W52-T56 PolarHBondContact O-N 3.08Å; W52-T56 PolarHBondContact O-OG1 2.71Å; W53-T56 PolarHBondContact O-N 3.45Å; W53-T56 VanDerWaalsContact O-N 3.15Å; R54-T56 VanDerWaalsContact C-N 3.33Å; R54-T56 PolarHBondContact O-N 2.89Å; T56-R59 PolarHBondContact O-N 3.41Å; T56-R60 WeakPolarHBondContact O-CG 3.42Å; T56-R60 PolarHBondContact O-N 2.89Å |
| 57 | L | 97.4 | Very high | 97.6 | Very high | 101 Ų | 101 | 102.8 Ų | 102.8 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.8 | -50.9 | 176 | -165.8 | 85.6 | 0 | 0 | 0 | 110.8 | W53 R54 R59 R60 T61 | W53-L57 PolarHBondContact O-N 3.39Å; R54-L57 PolarHBondContact O-N 3.08Å; L57-R59 PolarHBondContact O-N 3.42Å; L57-R60 PolarHBondContact O-N 2.82Å; L57-T61 WeakPolarHBondContact O-CG2 3.38Å; L57-T61 PolarHBondContact O-N 3.38Å; L57-T61 PolarHBondContact O-OG1 2.89Å |
| 58 | V | 98.3 | Very high | 97.7 | Very high | 78 Ų | 78 | 107.2 Ų | 107.2 | 47% | 0.473 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 179.5 | 173 | 0 | 0 | 0 | 0 | 111.2 | R54 R60 T61 L62 | R54-V58 WeakPolarHBondContact O-CG2 3.34Å; R54-V58 PolarHBondContact O-N 3.42Å; R54-V58 VanDerWaalsContact O-N 3.08Å; V58-R60 VanDerWaalsContact C-N 3.33Å; V58-R60 PolarHBondContact O-N 2.9Å; V58-T61 WeakPolarHBondContact CA-OG1 3.24Å; V58-T61 PolarHBondContact O-N 3.46Å; V58-T61 VanDerWaalsContact O-N 3.16Å; V58-T61 PolarHBondContact O-OG1 3.34Å; V58-L62 HydrophobicContact CG1-CD1 3.78Å; V58-L62 HydrophobicContact CG1-CG 4.23Å; V58-L62 WeakPolarHBondContact O-CG 3.3Å; V58-L62 PolarHBondContact O-N 3.15Å |
| 59 | R | 97.3 | Very high | 97.7 | Very high | 167 Ų | 167 | 101.8 Ų | 101.8 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.4 | -42.8 | 178 | -75.8 | -176.9 | -172.9 | 102.7 | -2.3 | 112.7 | G55 T56 L57 L62 L63 | G55-R59 WeakPolarHBondContact O-CG 3.36Å; G55-R59 PolarHBondContact O-N 2.93Å; G55-R59 VanDerWaalsContact O-N 3.08Å; T56-R59 PolarHBondContact O-N 3.41Å; L57-R59 PolarHBondContact O-N 3.42Å; R59-L62 PolarHBondContact O-N 2.95Å; R59-L63 WeakPolarHBondContact O-CB 3.46Å; R59-L63 VanDerWaalsContact O-CG 3.3Å; R59-L63 WeakPolarHBondContact O-CG 3.45Å; R59-L63 PolarHBondContact O-N 3.45Å |
| 60 | R | 97.5 | Very high | 97.7 | Very high | 148 Ų | 148 | 103.9 Ų | 103.9 | 56% | 0.558 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.4 | -46.7 | 175.5 | -73.2 | 178.8 | 179.2 | -179.5 | -0.5 | 111.4 | T56 L57 V58 L62 L63 H64 | T56-R60 WeakPolarHBondContact O-CG 3.42Å; T56-R60 PolarHBondContact O-N 2.89Å; L57-R60 PolarHBondContact O-N 2.82Å; V58-R60 VanDerWaalsContact C-N 3.33Å; V58-R60 PolarHBondContact O-N 2.9Å; R60-L62 PolarHBondContact O-N 3.47Å; R60-L63 PolarHBondContact O-N 3.38Å; R60-H64 PolarHBondContact O-CD2 3.01Å; R60-H64 PolarHBondContact O-N 2.8Å |
| 61 | T | 97.9 | Very high | 97.7 | Very high | 80 Ų | 80 | 103.8 Ų | 103.8 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 179.4 | 58.1 | 0 | 0 | 0 | 0 | 112.5 | L57 V58 H64 A65 | L57-T61 WeakPolarHBondContact O-CG2 3.38Å; L57-T61 PolarHBondContact O-N 3.38Å; L57-T61 PolarHBondContact O-OG1 2.89Å; V58-T61 WeakPolarHBondContact CA-OG1 3.24Å; V58-T61 PolarHBondContact O-N 3.46Å; V58-T61 VanDerWaalsContact O-N 3.16Å; V58-T61 PolarHBondContact O-OG1 3.34Å; T61-H64 PolarHBondContact O-N 3.33Å; T61-A65 WeakPolarHBondContact O-CB 3.44Å; T61-A65 PolarHBondContact O-N 2.96Å |
| 62 | L | 98.1 | Very high | 97.8 | Very high | 109 Ų | 109 | 106.3 Ų | 106.3 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.5 | -42 | 177 | -73.1 | 173.6 | 0 | 0 | 0 | 111.9 | V58 R59 R60 A65 A66 | V58-L62 HydrophobicContact CG1-CD1 3.78Å; V58-L62 HydrophobicContact CG1-CG 4.23Å; V58-L62 WeakPolarHBondContact O-CG 3.3Å; V58-L62 PolarHBondContact O-N 3.15Å; R59-L62 PolarHBondContact O-N 2.95Å; R60-L62 PolarHBondContact O-N 3.47Å; L62-A65 PolarHBondContact O-N 3.25Å; L62-A66 VanDerWaalsContact O-CB 3.24Å; L62-A66 WeakPolarHBondContact O-CB 3.43Å; L62-A66 PolarHBondContact O-N 3.13Å |
| 63 | L | 98.1 | Very high | 97.8 | Very high | 114 Ų | 114 | 103.5 Ų | 103.5 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.7 | -45.3 | 175.5 | -76.2 | 170.3 | 0 | 0 | 0 | 111.4 | R59 R60 A66 L67 | R59-L63 WeakPolarHBondContact O-CB 3.46Å; R59-L63 VanDerWaalsContact O-CG 3.3Å; R59-L63 WeakPolarHBondContact O-CG 3.45Å; R59-L63 PolarHBondContact O-N 3.45Å; R60-L63 PolarHBondContact O-N 3.38Å; L63-A66 PolarHBondContact O-N 2.87Å; L63-L67 WeakPolarHBondContact O-CB 3.2Å; L63-L67 WeakPolarHBondContact O-CG 3.42Å; L63-L67 PolarHBondContact O-N 3.5Å |
| 64 | H | 97.6 | Very high | 97.8 | Very high | 123 Ų | 123 | 99.6 Ų | 99.6 | 57% | 0.569 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.7 | -44.8 | 175.3 | -78.8 | -62.8 | 0 | 0 | 0 | 112 | R60 T61 L67 R68 | R60-H64 PolarHBondContact O-CD2 3.01Å; R60-H64 PolarHBondContact O-N 2.8Å; T61-H64 PolarHBondContact O-N 3.33Å; H64-L67 PolarHBondContact O-N 3.37Å; H64-R68 WeakPolarHBondContact O-CG 3.38Å; H64-R68 PolarHBondContact O-N 3.48Å |
| 65 | A | 98 | Very high | 97.8 | Very high | 57 Ų | 57 | 99.1 Ų | 99.1 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.4 | -43.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T61 L62 R68 A69 | T61-A65 WeakPolarHBondContact O-CB 3.44Å; T61-A65 PolarHBondContact O-N 2.96Å; L62-A65 PolarHBondContact O-N 3.25Å; A65-R68 PolarHBondContact O-N 3.03Å; A65-A69 WeakPolarHBondContact O-CB 3.31Å; A65-A69 PolarHBondContact O-N 2.84Å |
| 66 | A | 98.1 | Very high | 97.8 | Very high | 59 Ų | 59 | 105.5 Ų | 105.5 | 49% | 0.488 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L62 L63 A69 W70 | L62-A66 VanDerWaalsContact O-CB 3.24Å; L62-A66 WeakPolarHBondContact O-CB 3.43Å; L62-A66 PolarHBondContact O-N 3.13Å; L63-A66 PolarHBondContact O-N 2.87Å; A66-A69 PolarHBondContact O-N 3.37Å; A66-W70 VanDerWaalsContact O-CB 3.32Å; A66-W70 WeakPolarHBondContact O-CB 3.37Å; A66-W70 PolarHBondContact O-N 3.09Å |
| 67 | L | 97.6 | Very high | 97.9 | Very high | 93 Ų | 93 | 111.6 Ų | 111.6 | 49% | 0.487 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -43.2 | 175.8 | -74.9 | 170.7 | 0 | 0 | 0 | 111.9 | L63 H64 W70 I71 | L63-L67 WeakPolarHBondContact O-CB 3.2Å; L63-L67 WeakPolarHBondContact O-CG 3.42Å; L63-L67 PolarHBondContact O-N 3.5Å; H64-L67 PolarHBondContact O-N 3.37Å; L67-W70 PolarHBondContact O-N 2.99Å; L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.26Å; L67-I71 PolarHBondContact O-N 3.28Å |
| 68 | R | 97.8 | Very high | 97.9 | Very high | 180 Ų | 180 | 111.3 Ų | 111.3 | 68% | 0.679 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 176 | -68.4 | -71.5 | -175.2 | -174 | 0.9 | 111.2 | H64 A65 W70 I71 I72 | H64-R68 WeakPolarHBondContact O-CG 3.38Å; H64-R68 PolarHBondContact O-N 3.48Å; A65-R68 PolarHBondContact O-N 3.03Å; R68-W70 VanDerWaalsContact C-N 3.32Å; R68-W70 PolarHBondContact O-N 3.32Å; R68-I71 PolarHBondContact O-N 3.45Å; R68-I72 WeakPolarHBondContact O-CG1 3.45Å; R68-I72 PolarHBondContact O-N 3.32Å; R68-I72 VanDerWaalsContact O-N 3.09Å |
| 69 | A | 98.2 | Very high | 97.9 | Very high | 43 Ų | 43 | 109.4 Ų | 109.4 | 36% | 0.355 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | A65 A66 I71 I72 Q73 | A65-A69 WeakPolarHBondContact O-CB 3.31Å; A65-A69 PolarHBondContact O-N 2.84Å; A66-A69 PolarHBondContact O-N 3.37Å; A69-I71 PolarHBondContact O-N 2.88Å; A69-I72 PolarHBondContact O-N 3.33Å; A69-Q73 WeakPolarHBondContact O-CB 3.32Å; A69-Q73 VanDerWaalsContact O-CG 3.26Å; A69-Q73 WeakPolarHBondContact O-CG 3.33Å; A69-Q73 PolarHBondContact O-N 3.38Å |
| 70 | W | 97.9 | Very high | 97.9 | Very high | 156 Ų | 156 | 105.6 Ų | 105.6 | 59% | 0.591 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 178.2 | -179.4 | 61.5 | 0 | 0 | 0 | 112.5 | A66 L67 R68 I72 Q73 S74 | A66-W70 VanDerWaalsContact O-CB 3.32Å; A66-W70 WeakPolarHBondContact O-CB 3.37Å; A66-W70 PolarHBondContact O-N 3.09Å; L67-W70 PolarHBondContact O-N 2.99Å; R68-W70 VanDerWaalsContact C-N 3.32Å; R68-W70 PolarHBondContact O-N 3.32Å; W70-I72 PolarHBondContact O-N 3.43Å; W70-Q73 PolarHBondContact O-N 2.87Å; W70-S74 WeakPolarHBondContact O-CB 3.39Å; W70-S74 PolarHBondContact O-N 3.43Å |
| 71 | I | 98 | Very high | 97.9 | Very high | 99 Ų | 99 | 101.5 Ų | 101.5 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 175.3 | -68.9 | 164.9 | 0 | 0 | 0 | 110.6 | L67 R68 A69 Q73 S74 W75 | L67-I71 VanDerWaalsContact O-CG1 3.31Å; L67-I71 WeakPolarHBondContact O-CG1 3.26Å; L67-I71 PolarHBondContact O-N 3.28Å; R68-I71 PolarHBondContact O-N 3.45Å; A69-I71 PolarHBondContact O-N 2.88Å; I71-Q73 PolarHBondContact O-N 3.21Å; I71-S74 PolarHBondContact O-N 3.01Å; I71-W75 WeakPolarHBondContact O-CB 3.43Å; I71-W75 PolarHBondContact O-N 3.41Å |
| 72 | I | 97.8 | Very high | 97.9 | Very high | 113 Ų | 113 | 104.3 Ų | 104.3 | 58% | 0.579 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.4 | -45.4 | 179 | -66.5 | 167.6 | 0 | 0 | 0 | 110.8 | R68 A69 W70 S74 W75 W76 | R68-I72 WeakPolarHBondContact O-CG1 3.45Å; R68-I72 PolarHBondContact O-N 3.32Å; R68-I72 VanDerWaalsContact O-N 3.09Å; A69-I72 PolarHBondContact O-N 3.33Å; W70-I72 PolarHBondContact O-N 3.43Å; I72-S74 VanDerWaalsContact C-N 3.34Å; I72-S74 PolarHBondContact O-N 2.93Å; I72-W75 PolarHBondContact O-N 2.89Å; I72-W76 WeakPolarHBondContact O-CB 3.42Å; I72-W76 PolarHBondContact O-N 3.37Å |
| 73 | Q | 98.1 | Very high | 97.9 | Very high | 105 Ų | 105 | 102.2 Ų | 102.2 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 177.8 | -74.3 | 175.8 | -16.1 | 0 | 0 | 112.3 | A69 W70 I71 R77 | A69-Q73 WeakPolarHBondContact O-CB 3.32Å; A69-Q73 VanDerWaalsContact O-CG 3.26Å; A69-Q73 WeakPolarHBondContact O-CG 3.33Å; A69-Q73 PolarHBondContact O-N 3.38Å; W70-Q73 PolarHBondContact O-N 2.87Å; I71-Q73 PolarHBondContact O-N 3.21Å; Q73-R77 WeakPolarHBondContact O-CB 3.41Å; Q73-R77 WeakPolarHBondContact O-CG 3.38Å; Q73-R77 PolarHBondContact O-N 3.32Å; Q73-R77 PolarHBondContact O-NE 3.5Å |
| 74 | S | 97.6 | Very high | 97.9 | Very high | 55 Ų | 55 | 101.6 Ų | 101.6 | 39% | 0.385 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.7 | -47.1 | 176.9 | -174.3 | 0 | 0 | 0 | 0 | 111 | W70 I71 I72 W76 R77 M78 | W70-S74 WeakPolarHBondContact O-CB 3.39Å; W70-S74 PolarHBondContact O-N 3.43Å; I71-S74 PolarHBondContact O-N 3.01Å; I72-S74 VanDerWaalsContact C-N 3.34Å; I72-S74 PolarHBondContact O-N 2.93Å; S74-W76 VanDerWaalsContact C-N 3.34Å; S74-W76 PolarHBondContact O-N 2.92Å; S74-R77 PolarHBondContact O-N 3.42Å; S74-M78 PolarHBondContact O-N 3.19Å |
| 75 | W | 98.2 | Very high | 97.9 | Very high | 152 Ų | 152 | 101.7 Ų | 101.7 | 58% | 0.576 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.4 | -43.5 | 176.2 | 177.9 | 83.1 | 0 | 0 | 0 | 112.3 | I71 I72 M78 T79 | I71-W75 WeakPolarHBondContact O-CB 3.43Å; I71-W75 PolarHBondContact O-N 3.41Å; I72-W75 PolarHBondContact O-N 2.89Å; W75-M78 PolarHBondContact O-N 2.82Å; W75-T79 WeakPolarHBondContact O-CB 3.33Å; W75-T79 PolarHBondContact O-N 2.91Å; W75-T79 PolarHBondContact O-OG1 3.39Å |
| 76 | W | 97.9 | Very high | 97.9 | Very high | 159 Ų | 159 | 106.2 Ų | 106.2 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -46.1 | 177.7 | -173 | -107.1 | 0 | 0 | 0 | 112.1 | I72 S74 M78 T79 L80 | I72-W76 WeakPolarHBondContact O-CB 3.42Å; I72-W76 PolarHBondContact O-N 3.37Å; S74-W76 VanDerWaalsContact C-N 3.34Å; S74-W76 PolarHBondContact O-N 2.92Å; W76-M78 VanDerWaalsContact C-N 3.34Å; W76-M78 PolarHBondContact O-N 3.45Å; W76-T79 PolarHBondContact O-N 3.5Å; W76-L80 WeakPolarHBondContact O-CB 3.41Å; W76-L80 PolarHBondContact O-N 3.28Å |
| 77 | R | 97.9 | Very high | 97.8 | Very high | 153 Ų | 153 | 110.2 Ų | 110.2 | 58% | 0.577 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58 | -46.5 | 176.1 | -79.2 | -174.2 | -102.8 | -159.6 | -5.7 | 111.7 | Q73 S74 T79 L80 S81 | Q73-R77 WeakPolarHBondContact O-CB 3.41Å; Q73-R77 WeakPolarHBondContact O-CG 3.38Å; Q73-R77 PolarHBondContact O-N 3.32Å; Q73-R77 PolarHBondContact O-NE 3.5Å; S74-R77 PolarHBondContact O-N 3.42Å; R77-T79 VanDerWaalsContact C-N 3.34Å; R77-T79 PolarHBondContact O-N 2.87Å; R77-L80 PolarHBondContact O-N 3.05Å; R77-S81 PolarHBondContact O-N 2.96Å; R77-S81 PolarHBondContact O-OG 2.99Å |
| 78 | M | 97.9 | Very high | 97.8 | Very high | 95 Ų | 95 | 114.8 Ų | 114.8 | 47% | 0.468 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 177.5 | -174.5 | -177.5 | -68 | 0 | 0 | 112 | S74 W75 W76 S81 R82 | S74-M78 PolarHBondContact O-N 3.19Å; W75-M78 PolarHBondContact O-N 2.82Å; W76-M78 VanDerWaalsContact C-N 3.34Å; W76-M78 PolarHBondContact O-N 3.45Å; M78-S81 PolarHBondContact O-N 3.01Å; M78-R82 WeakPolarHBondContact O-CG 3.49Å; M78-R82 PolarHBondContact O-N 3.3Å; M78-R82 PolarHBondContact SD-NH2 3.05Å; M78-R82 VanDerWaalsContact SD-NH2 3.38Å |
| 79 | T | 97.7 | Very high | 97.9 | Very high | 37 Ų | 37 | 112 Ų | 112 | 23% | 0.227 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -65 | -43.4 | 179.1 | -59 | 0 | 0 | 0 | 0 | 111.3 | W75 W76 R77 R82 V83 | W75-T79 WeakPolarHBondContact O-CB 3.33Å; W75-T79 PolarHBondContact O-N 2.91Å; W75-T79 PolarHBondContact O-OG1 3.39Å; W76-T79 PolarHBondContact O-N 3.5Å; R77-T79 VanDerWaalsContact C-N 3.34Å; R77-T79 PolarHBondContact O-N 2.87Å; T79-R82 PolarHBondContact O-N 3.42Å; T79-V83 WeakPolarHBondContact O-CG2 3.35Å; T79-V83 PolarHBondContact O-N 3.01Å |
| 80 | L | 97.9 | Very high | 97.9 | Very high | 88 Ų | 88 | 112.7 Ų | 112.7 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 177 | -175.5 | 63 | 0 | 0 | 0 | 111.6 | W76 R77 R82 V83 L84 | W76-L80 WeakPolarHBondContact O-CB 3.41Å; W76-L80 PolarHBondContact O-N 3.28Å; R77-L80 PolarHBondContact O-N 3.05Å; L80-R82 VanDerWaalsContact C-N 3.34Å; L80-R82 PolarHBondContact O-N 3.47Å; L80-V83 PolarHBondContact O-N 3.05Å; L80-L84 HydrophobicContact CG-CD1 4.22Å; L80-L84 WeakPolarHBondContact O-CG 3.45Å; L80-L84 PolarHBondContact O-N 3.36Å |
| 81 | S | 97.8 | Very high | 97.8 | Very high | 62 Ų | 62 | 108.2 Ų | 108.2 | 43% | 0.434 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.9 | -45.8 | 176 | -63.7 | 0 | 0 | 0 | 0 | 111.7 | R77 M78 V83 L84 E85 | R77-S81 PolarHBondContact O-N 2.96Å; R77-S81 PolarHBondContact O-OG 2.99Å; M78-S81 PolarHBondContact O-N 3.01Å; S81-V83 VanDerWaalsContact C-N 3.32Å; S81-V83 PolarHBondContact O-N 3.32Å; S81-L84 PolarHBondContact O-N 3.46Å; S81-E85 WeakPolarHBondContact O-CB 3.39Å; S81-E85 WeakPolarHBondContact O-CG 3.37Å; S81-E85 PolarHBondContact O-N 3.46Å |
| 82 | R | 97.6 | Very high | 97.9 | Very high | 139 Ų | 139 | 108.6 Ų | 108.6 | 53% | 0.525 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 176.7 | -74 | 174.2 | 177.5 | 166.9 | -0.1 | 112.6 | M78 T79 L80 K86 | M78-R82 WeakPolarHBondContact O-CG 3.49Å; M78-R82 PolarHBondContact O-N 3.3Å; M78-R82 PolarHBondContact SD-NH2 3.05Å; M78-R82 VanDerWaalsContact SD-NH2 3.38Å; T79-R82 PolarHBondContact O-N 3.42Å; L80-R82 VanDerWaalsContact C-N 3.34Å; L80-R82 PolarHBondContact O-N 3.47Å; R82-K86 WeakPolarHBondContact O-CB 3.32Å; R82-K86 WeakPolarHBondContact O-CG 3.49Å; R82-K86 PolarHBondContact O-N 3.18Å |
| 83 | V | 97.8 | Very high | 97.9 | Very high | 65 Ų | 65 | 107.7 Ų | 107.7 | 39% | 0.394 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 177.6 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | T79 L80 S81 K86 K87 | T79-V83 WeakPolarHBondContact O-CG2 3.35Å; T79-V83 PolarHBondContact O-N 3.01Å; L80-V83 PolarHBondContact O-N 3.05Å; S81-V83 VanDerWaalsContact C-N 3.32Å; S81-V83 PolarHBondContact O-N 3.32Å; V83-K86 PolarHBondContact O-N 3.05Å; V83-K87 HydrophobicContact CG1-CD 4.45Å; V83-K87 WeakPolarHBondContact O-CG 3.38Å; V83-K87 PolarHBondContact O-N 2.88Å |
| 84 | L | 97.8 | Very high | 97.9 | Very high | 100 Ų | 100 | 105.5 Ų | 105.5 | 52% | 0.524 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65 | -43.2 | 177.5 | -71.1 | 171.8 | 0 | 0 | 0 | 112.1 | L80 S81 K87 R88 | L80-L84 HydrophobicContact CG-CD1 4.22Å; L80-L84 WeakPolarHBondContact O-CG 3.45Å; L80-L84 PolarHBondContact O-N 3.36Å; S81-L84 PolarHBondContact O-N 3.46Å; L84-K87 PolarHBondContact O-N 3.42Å; L84-R88 WeakPolarHBondContact O-CB 3.49Å; L84-R88 PolarHBondContact O-N 2.93Å |
| 85 | E | 97.9 | Very high | 97.9 | Very high | 126 Ų | 126 | 110.1 Ų | 110.1 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.9 | -45.5 | 176 | -75.8 | 173 | 175.8 | 0 | 0 | 111.7 | S81 K87 R88 Q89 | S81-E85 WeakPolarHBondContact O-CB 3.39Å; S81-E85 WeakPolarHBondContact O-CG 3.37Å; S81-E85 PolarHBondContact O-N 3.46Å; E85-K87 VanDerWaalsContact C-N 3.34Å; E85-K87 PolarHBondContact O-N 3.02Å; E85-R88 PolarHBondContact O-N 3.44Å; E85-Q89 WeakPolarHBondContact O-CB 3.44Å; E85-Q89 PolarHBondContact O-N 3.44Å |
| 86 | K | 97.7 | Very high | 97.9 | Very high | 152 Ų | 152 | 104.7 Ų | 104.7 | 66% | 0.661 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.3 | -43.9 | 175.3 | -76.5 | -179.4 | 178.8 | -172.9 | 0 | 112.2 | R82 V83 Q89 A90 | R82-K86 WeakPolarHBondContact O-CB 3.32Å; R82-K86 WeakPolarHBondContact O-CG 3.49Å; R82-K86 PolarHBondContact O-N 3.18Å; V83-K86 PolarHBondContact O-N 3.05Å; K86-Q89 PolarHBondContact O-N 3.38Å; K86-A90 WeakPolarHBondContact O-CB 3.39Å; K86-A90 PolarHBondContact O-N 3.21Å |
| 87 | K | 97.7 | Very high | 97.9 | Very high | 143 Ų | 143 | 100.7 Ų | 100.7 | 62% | 0.622 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -44.7 | 175.9 | -74.4 | -179.5 | 178.1 | -175.4 | 0 | 111.5 | V83 L84 E85 A90 A91 | V83-K87 HydrophobicContact CG1-CD 4.45Å; V83-K87 WeakPolarHBondContact O-CG 3.38Å; V83-K87 PolarHBondContact O-N 2.88Å; L84-K87 PolarHBondContact O-N 3.42Å; E85-K87 VanDerWaalsContact C-N 3.34Å; E85-K87 PolarHBondContact O-N 3.02Å; K87-A90 PolarHBondContact O-N 2.87Å; K87-A91 PolarHBondContact O-N 3.2Å |
| 88 | R | 97.8 | Very high | 97.9 | Very high | 189 Ų | 189 | 102.3 Ų | 102.3 | 71% | 0.713 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 177.4 | -174.1 | 177.6 | -178.8 | 174.6 | 0.8 | 111.4 | L84 E85 A91 L92 | L84-R88 WeakPolarHBondContact O-CB 3.49Å; L84-R88 PolarHBondContact O-N 2.93Å; E85-R88 PolarHBondContact O-N 3.44Å; R88-A91 PolarHBondContact O-N 3.04Å; R88-L92 HydrophobicContact CG-CD1 4.35Å; R88-L92 WeakPolarHBondContact O-CG 3.37Å; R88-L92 PolarHBondContact O-N 2.92Å |
| 89 | Q | 97.9 | Very high | 97.9 | Very high | 120 Ų | 120 | 102.5 Ų | 102.5 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.9 | -43.4 | 178.6 | -172.1 | 175 | 5.5 | 0 | 0 | 111.6 | E85 K86 A91 L92 I93 | E85-Q89 WeakPolarHBondContact O-CB 3.44Å; E85-Q89 PolarHBondContact O-N 3.44Å; K86-Q89 PolarHBondContact O-N 3.38Å; Q89-A91 VanDerWaalsContact C-N 3.33Å; Q89-A91 PolarHBondContact O-N 3.39Å; Q89-L92 PolarHBondContact O-N 3.5Å; Q89-I93 HydrophobicContact CG-CD1 3.99Å; Q89-I93 VanDerWaalsContact O-CG1 3.31Å; Q89-I93 WeakPolarHBondContact O-CG1 3.33Å; Q89-I93 PolarHBondContact O-N 3.35Å |
| 90 | A | 98.1 | Very high | 97.8 | Very high | 58 Ų | 58 | 109 Ų | 109 | 48% | 0.479 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | K86 K87 L92 I93 A94 | K86-A90 WeakPolarHBondContact O-CB 3.39Å; K86-A90 PolarHBondContact O-N 3.21Å; K87-A90 PolarHBondContact O-N 2.87Å; A90-L92 PolarHBondContact O-N 3.27Å; A90-I93 PolarHBondContact O-N 2.92Å; A90-A94 WeakPolarHBondContact O-CB 3.31Å; A90-A94 PolarHBondContact O-N 2.99Å |
| 91 | A | 97.9 | Very high | 97.8 | Very high | 62 Ų | 62 | 107.5 Ų | 107.5 | 51% | 0.512 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.1 | -41.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K87 R88 Q89 A94 Y95 | K87-A91 PolarHBondContact O-N 3.2Å; R88-A91 PolarHBondContact O-N 3.04Å; Q89-A91 VanDerWaalsContact C-N 3.33Å; Q89-A91 PolarHBondContact O-N 3.39Å; A91-A94 PolarHBondContact O-N 3.44Å; A91-Y95 WeakPolarHBondContact O-CB 3.44Å; A91-Y95 PolarHBondContact O-N 3.37Å |
| 92 | L | 98.2 | Very high | 97.8 | Very high | 107 Ų | 107 | 107.6 Ų | 107.6 | 56% | 0.56 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.5 | -42.6 | 176.5 | -70.9 | 172.8 | 0 | 0 | 0 | 112.2 | R88 Q89 A90 Y95 A96 | R88-L92 HydrophobicContact CG-CD1 4.35Å; R88-L92 WeakPolarHBondContact O-CG 3.37Å; R88-L92 PolarHBondContact O-N 2.92Å; Q89-L92 PolarHBondContact O-N 3.5Å; A90-L92 PolarHBondContact O-N 3.27Å; L92-Y95 PolarHBondContact O-N 2.94Å; L92-A96 WeakPolarHBondContact O-CB 3.36Å; L92-A96 PolarHBondContact O-N 2.79Å |
| 93 | I | 98.2 | Very high | 97.9 | Very high | 95 Ų | 95 | 105.4 Ų | 105.4 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64 | -44 | 176.3 | -67.6 | 166.7 | 0 | 0 | 0 | 110.4 | Q89 A90 Y95 A96 T97 | Q89-I93 HydrophobicContact CG-CD1 3.99Å; Q89-I93 VanDerWaalsContact O-CG1 3.31Å; Q89-I93 WeakPolarHBondContact O-CG1 3.33Å; Q89-I93 PolarHBondContact O-N 3.35Å; A90-I93 PolarHBondContact O-N 2.92Å; I93-Y95 VanDerWaalsContact C-N 3.32Å; I93-Y95 PolarHBondContact O-N 2.82Å; I93-A96 PolarHBondContact O-N 2.91Å; I93-T97 HydrophobicContact CG2-CG2 4.25Å; I93-T97 WeakPolarHBondContact O-CB 3.28Å; I93-T97 VanDerWaalsContact O-CG2 3.28Å; I93-T97 WeakPolarHBondContact O-CG2 3.34Å; I93-T97 PolarHBondContact O-N 2.89Å; I93-T97 PolarHBondContact O-OG1 3.48Å |
| 94 | A | 98.1 | Very high | 97.8 | Very high | 58 Ų | 58 | 109.4 Ų | 109.4 | 48% | 0.479 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | A90 A91 T97 R98 | A90-A94 WeakPolarHBondContact O-CB 3.31Å; A90-A94 PolarHBondContact O-N 2.99Å; A91-A94 PolarHBondContact O-N 3.44Å; A94-T97 WeakPolarHBondContact CA-OG1 3.48Å; A94-T97 PolarHBondContact O-OG1 3.19Å; A94-R98 WeakPolarHBondContact O-CB 3.44Å; A94-R98 PolarHBondContact O-N 3.28Å |
| 95 | Y | 97.9 | Very high | 97.8 | Very high | 153 Ų | 153 | 110 Ų | 110 | 60% | 0.6 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.9 | -50.7 | 175.1 | -178 | -91.2 | 0 | 0 | 0 | 111.8 | A91 L92 I93 T97 R98 E99 | A91-Y95 WeakPolarHBondContact O-CB 3.44Å; A91-Y95 PolarHBondContact O-N 3.37Å; L92-Y95 PolarHBondContact O-N 2.94Å; I93-Y95 VanDerWaalsContact C-N 3.32Å; I93-Y95 PolarHBondContact O-N 2.82Å; Y95-T97 VanDerWaalsContact C-N 3.33Å; Y95-T97 PolarHBondContact O-N 3.49Å; Y95-R98 WeakPolarHBondContact O-CB 3.39Å; Y95-R98 PolarHBondContact O-N 2.95Å; Y95-E99 WeakPolarHBondContact CE1-OE2 3.38Å; Y95-E99 PolarHBondContact O-N 2.88Å |
| 96 | A | 97.9 | Very high | 97.8 | Very high | 37 Ų | 37 | 108.8 Ų | 108.8 | 31% | 0.306 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -38.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L92 I93 E99 R100 | L92-A96 WeakPolarHBondContact O-CB 3.36Å; L92-A96 PolarHBondContact O-N 2.79Å; I93-A96 PolarHBondContact O-N 2.91Å; A96-E99 PolarHBondContact O-N 3Å; A96-R100 WeakPolarHBondContact O-CB 3.48Å; A96-R100 VanDerWaalsContact O-CG 3.28Å; A96-R100 WeakPolarHBondContact O-CG 3.34Å; A96-R100 PolarHBondContact O-N 3.2Å |
| 97 | T | 97.9 | Very high | 97.7 | Very high | 76 Ų | 76 | 104.7 Ų | 104.7 | 47% | 0.466 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 175.1 | 48.6 | 0 | 0 | 0 | 0 | 111.5 | I93 A94 Y95 R100 A101 | I93-T97 HydrophobicContact CG2-CG2 4.25Å; I93-T97 WeakPolarHBondContact O-CB 3.28Å; I93-T97 VanDerWaalsContact O-CG2 3.28Å; I93-T97 WeakPolarHBondContact O-CG2 3.34Å; I93-T97 PolarHBondContact O-N 2.89Å; I93-T97 PolarHBondContact O-OG1 3.48Å; A94-T97 WeakPolarHBondContact CA-OG1 3.48Å; A94-T97 PolarHBondContact O-OG1 3.19Å; Y95-T97 VanDerWaalsContact C-N 3.33Å; Y95-T97 PolarHBondContact O-N 3.49Å; T97-R100 PolarHBondContact O-N 2.88Å; T97-A101 WeakPolarHBondContact O-CB 3.41Å; T97-A101 PolarHBondContact O-N 3.18Å |
| 98 | R | 97.7 | Very high | 97.7 | Very high | 187 Ų | 187 | 102.5 Ų | 102.5 | 71% | 0.706 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.4 | -47.2 | 173.8 | -176.5 | 178.4 | -176 | 171.6 | 1.7 | 111.7 | A94 Y95 R100 A101 V102 | A94-R98 WeakPolarHBondContact O-CB 3.44Å; A94-R98 PolarHBondContact O-N 3.28Å; Y95-R98 WeakPolarHBondContact O-CB 3.39Å; Y95-R98 PolarHBondContact O-N 2.95Å; R98-R100 PolarHBondContact O-N 3.43Å; R98-A101 WeakPolarHBondContact O-CB 3.29Å; R98-A101 PolarHBondContact O-N 3.39Å; R98-V102 WeakPolarHBondContact O-CG2 3.35Å; R98-V102 PolarHBondContact O-N 2.92Å |
| 99 | E | 97.6 | Very high | 97.7 | Very high | 98 Ų | 98 | 96.2 Ų | 96.2 | 46% | 0.458 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -46.8 | 178.8 | -174.7 | 173.6 | -165.4 | 0 | 0 | 111.5 | Y95 A96 A101 V102 I103 | Y95-E99 WeakPolarHBondContact CE1-OE2 3.38Å; Y95-E99 PolarHBondContact O-N 2.88Å; A96-E99 PolarHBondContact O-N 3Å; E99-A101 VanDerWaalsContact C-N 3.31Å; E99-A101 PolarHBondContact O-N 2.91Å; E99-V102 PolarHBondContact O-N 2.92Å; E99-I103 HydrophobicContact CG-CD1 4.06Å; E99-I103 WeakPolarHBondContact O-CG1 3.28Å; E99-I103 PolarHBondContact O-N 3.36Å |
| 100 | R | 97.4 | Very high | 97.5 | Very high | 174 Ų | 174 | 99 Ų | 99 | 66% | 0.657 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59 | -41.2 | 174.3 | -72.8 | 174.5 | -177 | -176 | 0.9 | 112.4 | A96 T97 R98 K104 | A96-R100 WeakPolarHBondContact O-CB 3.48Å; A96-R100 VanDerWaalsContact O-CG 3.28Å; A96-R100 WeakPolarHBondContact O-CG 3.34Å; A96-R100 PolarHBondContact O-N 3.2Å; T97-R100 PolarHBondContact O-N 2.88Å; R98-R100 PolarHBondContact O-N 3.43Å; R100-K104 WeakPolarHBondContact O-CG 3.48Å; R100-K104 PolarHBondContact O-N 3.32Å |
| 101 | A | 97.8 | Very high | 97.4 | Very high | 57 Ų | 57 | 102 Ų | 102 | 47% | 0.471 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T97 R98 E99 K104 L105 | T97-A101 WeakPolarHBondContact O-CB 3.41Å; T97-A101 PolarHBondContact O-N 3.18Å; R98-A101 WeakPolarHBondContact O-CB 3.29Å; R98-A101 PolarHBondContact O-N 3.39Å; E99-A101 VanDerWaalsContact C-N 3.31Å; E99-A101 PolarHBondContact O-N 2.91Å; A101-K104 PolarHBondContact O-N 3.46Å; A101-L105 WeakPolarHBondContact O-CB 3.45Å; A101-L105 PolarHBondContact O-N 3.21Å |
| 102 | V | 98 | Very high | 97.4 | Very high | 63 Ų | 63 | 107 Ų | 107 | 38% | 0.382 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 176.5 | 170.9 | 0 | 0 | 0 | 0 | 111 | R98 E99 K104 L105 Q106 | R98-V102 WeakPolarHBondContact O-CG2 3.35Å; R98-V102 PolarHBondContact O-N 2.92Å; E99-V102 PolarHBondContact O-N 2.92Å; V102-K104 VanDerWaalsContact C-N 3.34Å; V102-K104 PolarHBondContact O-N 3.04Å; V102-L105 PolarHBondContact O-N 3.38Å; V102-Q106 HydrophobicContact CG1-CG 4.24Å; V102-Q106 WeakPolarHBondContact O-CB 3.3Å; V102-Q106 VanDerWaalsContact O-CG 3.29Å; V102-Q106 WeakPolarHBondContact O-CG 3.35Å; V102-Q106 PolarHBondContact O-N 3.37Å |
| 103 | I | 97.8 | Very high | 97.2 | Very high | 94 Ų | 94 | 109.6 Ų | 109.6 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -44.1 | 178.7 | -68 | 166.5 | 0 | 0 | 0 | 110.8 | E99 Q106 S107 | E99-I103 HydrophobicContact CG-CD1 4.06Å; E99-I103 WeakPolarHBondContact O-CG1 3.28Å; E99-I103 PolarHBondContact O-N 3.36Å; I103-Q106 PolarHBondContact O-N 3.34Å; I103-S107 PolarHBondContact O-N 2.95Å; I103-S107 PolarHBondContact O-OG 3.43Å |
| 104 | K | 97.3 | Very high | 96.9 | Very high | 149 Ų | 149 | 108.2 Ų | 108.2 | 65% | 0.648 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.6 | -43.3 | 175.2 | -74.6 | -179.8 | 178.4 | -172.5 | 0 | 112.1 | R100 A101 V102 S107 L108 | R100-K104 WeakPolarHBondContact O-CG 3.48Å; R100-K104 PolarHBondContact O-N 3.32Å; A101-K104 PolarHBondContact O-N 3.46Å; V102-K104 VanDerWaalsContact C-N 3.34Å; V102-K104 PolarHBondContact O-N 3.04Å; K104-S107 PolarHBondContact O-N 3.43Å; K104-S107 PolarHBondContact O-OG 2.91Å; K104-L108 VanDerWaalsContact O-CG 3.3Å; K104-L108 WeakPolarHBondContact O-CG 3.32Å; K104-L108 PolarHBondContact O-N 2.91Å |
| 105 | L | 97.9 | Very high | 96.7 | Very high | 113 Ų | 113 | 110.8 Ų | 110.8 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.8 | -44.2 | 178 | -176.2 | 63.5 | 0 | 0 | 0 | 111.1 | A101 V102 S107 L108 V109 | A101-L105 WeakPolarHBondContact O-CB 3.45Å; A101-L105 PolarHBondContact O-N 3.21Å; V102-L105 PolarHBondContact O-N 3.38Å; L105-S107 VanDerWaalsContact C-N 3.35Å; L105-S107 PolarHBondContact O-N 3.44Å; L105-L108 PolarHBondContact O-N 3.06Å; L105-V109 VanDerWaalsContact O-CG2 3.32Å; L105-V109 WeakPolarHBondContact O-CG2 3.28Å; L105-V109 PolarHBondContact O-N 3.37Å |
| 106 | Q | 97.9 | Very high | 96.5 | Very high | 99 Ų | 99 | 111 Ų | 111 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 177.2 | -74.6 | 177.8 | -13.1 | 0 | 0 | 111.9 | V102 I103 V109 R110 | V102-Q106 HydrophobicContact CG1-CG 4.24Å; V102-Q106 WeakPolarHBondContact O-CB 3.3Å; V102-Q106 VanDerWaalsContact O-CG 3.29Å; V102-Q106 WeakPolarHBondContact O-CG 3.35Å; V102-Q106 PolarHBondContact O-N 3.37Å; I103-Q106 PolarHBondContact O-N 3.34Å; Q106-V109 PolarHBondContact O-N 2.83Å; Q106-R110 WeakPolarHBondContact O-CB 3.35Å; Q106-R110 VanDerWaalsContact O-CG 3.28Å; Q106-R110 WeakPolarHBondContact O-CG 3.42Å; Q106-R110 PolarHBondContact O-N 2.82Å |
| 107 | S | 94.5 | Very high | 96.3 | Very high | 66 Ų | 66 | 117.5 Ų | 117.5 | 46% | 0.462 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66 | -41 | 177.7 | 68.9 | 0 | 0 | 0 | 0 | 111.8 | I103 K104 L105 R110 M111 | I103-S107 PolarHBondContact O-N 2.95Å; I103-S107 PolarHBondContact O-OG 3.43Å; K104-S107 PolarHBondContact O-N 3.43Å; K104-S107 PolarHBondContact O-OG 2.91Å; L105-S107 VanDerWaalsContact C-N 3.35Å; L105-S107 PolarHBondContact O-N 3.44Å; S107-R110 PolarHBondContact O-N 3.48Å; S107-M111 WeakPolarHBondContact O-CB 3.31Å; S107-M111 PolarHBondContact O-N 3.33Å |
| 108 | L | 97.6 | Very high | 96 | Very high | 97 Ų | 97 | 117.6 Ų | 117.6 | 51% | 0.508 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | 174.6 | -72.2 | 172.9 | 0 | 0 | 0 | 112.1 | K104 L105 R110 M111 W112 | K104-L108 VanDerWaalsContact O-CG 3.3Å; K104-L108 WeakPolarHBondContact O-CG 3.32Å; K104-L108 PolarHBondContact O-N 2.91Å; L105-L108 PolarHBondContact O-N 3.06Å; L108-R110 VanDerWaalsContact C-N 3.35Å; L108-R110 PolarHBondContact O-N 3.03Å; L108-M111 HydrophobicContact CD2-CE 3.94Å; L108-M111 PolarHBondContact O-N 2.92Å; L108-W112 VanDerWaalsContact O-CB 3.3Å; L108-W112 WeakPolarHBondContact O-CB 3.3Å; L108-W112 PolarHBondContact O-N 2.84Å |
| 109 | V | 97.2 | Very high | 95.7 | Very high | 57 Ų | 57 | 110.6 Ų | 110.6 | 35% | 0.345 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 177.1 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | L105 Q106 W112 R113 | L105-V109 VanDerWaalsContact O-CG2 3.32Å; L105-V109 WeakPolarHBondContact O-CG2 3.28Å; L105-V109 PolarHBondContact O-N 3.37Å; Q106-V109 PolarHBondContact O-N 2.83Å; V109-W112 PolarHBondContact O-N 3.49Å; V109-R113 WeakPolarHBondContact O-CG 3.5Å; V109-R113 PolarHBondContact O-N 3.44Å |
| 110 | R | 95.4 | Very high | 95.5 | Very high | 178 Ų | 178 | 111.7 Ų | 111.7 | 67% | 0.672 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.4 | -48.2 | 176.1 | -74.5 | 175.9 | -175.9 | -174.5 | 2.6 | 111.2 | Q106 S107 L108 W112 R113 V114 | Q106-R110 WeakPolarHBondContact O-CB 3.35Å; Q106-R110 VanDerWaalsContact O-CG 3.28Å; Q106-R110 WeakPolarHBondContact O-CG 3.42Å; Q106-R110 PolarHBondContact O-N 2.82Å; S107-R110 PolarHBondContact O-N 3.48Å; L108-R110 VanDerWaalsContact C-N 3.35Å; L108-R110 PolarHBondContact O-N 3.03Å; R110-W112 PolarHBondContact O-N 3.48Å; R110-R113 PolarHBondContact O-N 3.33Å; R110-V114 WeakPolarHBondContact O-CG2 3.45Å; R110-V114 PolarHBondContact O-N 2.92Å; R110-V114 VanDerWaalsContact O-N 3.17Å |
| 111 | M | 95.9 | Very high | 95.1 | Very high | 122 Ų | 122 | 105.8 Ų | 105.8 | 60% | 0.601 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.7 | -47.8 | 176.9 | -178.3 | -176.4 | 75.6 | 0 | 0 | 111.4 | S107 L108 R113 V114 H115 | S107-M111 WeakPolarHBondContact O-CB 3.31Å; S107-M111 PolarHBondContact O-N 3.33Å; L108-M111 HydrophobicContact CD2-CE 3.94Å; L108-M111 PolarHBondContact O-N 2.92Å; M111-R113 PolarHBondContact O-N 3.12Å; M111-V114 PolarHBondContact O-N 3.31Å; M111-H115 WeakPolarHBondContact O-CB 3.41Å; M111-H115 PolarHBondContact O-N 3.42Å |
| 112 | W | 96.6 | Very high | 94.7 | Very high | 166 Ų | 166 | 105 Ų | 105 | 63% | 0.629 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.8 | -43.4 | -179.8 | 178.2 | 56.7 | 0 | 0 | 0 | 112.2 | L108 V109 R110 V114 H115 W116 | L108-W112 VanDerWaalsContact O-CB 3.3Å; L108-W112 WeakPolarHBondContact O-CB 3.3Å; L108-W112 PolarHBondContact O-N 2.84Å; V109-W112 PolarHBondContact O-N 3.49Å; R110-W112 PolarHBondContact O-N 3.48Å; W112-V114 VanDerWaalsContact C-N 3.33Å; W112-V114 PolarHBondContact O-N 3.36Å; W112-H115 PolarHBondContact O-N 3.47Å; W112-W116 VanDerWaalsContact O-CB 3.31Å; W112-W116 WeakPolarHBondContact O-CB 3.41Å; W112-W116 PolarHBondContact O-N 3.43Å |
| 113 | R | 95.1 | Very high | 94.3 | Very high | 163 Ų | 163 | 106.9 Ų | 106.9 | 62% | 0.615 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.6 | -41.9 | 176.2 | -75.4 | 178.7 | -177.6 | -164.5 | 0.7 | 112.6 | V109 R110 M111 R117 | V109-R113 WeakPolarHBondContact O-CG 3.5Å; V109-R113 PolarHBondContact O-N 3.44Å; R110-R113 PolarHBondContact O-N 3.33Å; M111-R113 PolarHBondContact O-N 3.12Å; R113-R117 WeakPolarHBondContact O-CG 3.34Å; R113-R117 PolarHBondContact O-N 3.33Å; R113-R117 VanDerWaalsContact O-N 3.12Å |
| 114 | V | 91.6 | Very high | 93.8 | Very high | 65 Ų | 65 | 104.7 Ų | 104.7 | 39% | 0.394 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.7 | -47.3 | 177.8 | 172.5 | 0 | 0 | 0 | 0 | 110.4 | R110 M111 W112 W116 R117 Y118 L154 | R110-V114 WeakPolarHBondContact O-CG2 3.45Å; R110-V114 PolarHBondContact O-N 2.92Å; R110-V114 VanDerWaalsContact O-N 3.17Å; M111-V114 PolarHBondContact O-N 3.31Å; W112-V114 VanDerWaalsContact C-N 3.33Å; W112-V114 PolarHBondContact O-N 3.36Å; V114-W116 PolarHBondContact O-N 3.38Å; V114-R117 PolarHBondContact O-N 3.49Å; V114-Y118 WeakPolarHBondContact O-CB 3.42Å; V114-Y118 PolarHBondContact O-N 2.89Å; V114-L154 HydrophobicContact CG1-CD1 3.56Å |
| 115 | H | 92.9 | Very high | 93.3 | Very high | 112 Ų | 112 | 98.6 Ų | 98.6 | 52% | 0.519 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 178.1 | -174.7 | 71.7 | 0 | 0 | 0 | 112.2 | M111 W112 R117 Y118 C119 | M111-H115 WeakPolarHBondContact O-CB 3.41Å; M111-H115 PolarHBondContact O-N 3.42Å; W112-H115 PolarHBondContact O-N 3.47Å; H115-R117 PolarHBondContact O-N 3.46Å; H115-Y118 WeakPolarHBondContact O-CB 3.37Å; H115-Y118 PolarHBondContact O-N 3.22Å; H115-C119 PolarHBondContact O-N 3.17Å; H115-C119 PolarHBondContact O-SG 3.43Å; H115-C119 VanDerWaalsContact O-SG 3.33Å |
| 116 | W | 95 | Very high | 92.8 | Very high | 158 Ų | 158 | 99.8 Ų | 99.8 | 60% | 0.598 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -57.7 | -49 | 175.7 | 176.1 | -95.7 | 0 | 0 | 0 | 112.2 | W112 V114 Y118 C119 Q120 | W112-W116 VanDerWaalsContact O-CB 3.31Å; W112-W116 WeakPolarHBondContact O-CB 3.41Å; W112-W116 PolarHBondContact O-N 3.43Å; V114-W116 PolarHBondContact O-N 3.38Å; W116-Y118 VanDerWaalsContact C-N 3.33Å; W116-Y118 PolarHBondContact O-N 2.9Å; W116-C119 PolarHBondContact O-N 2.89Å; W116-Q120 WeakPolarHBondContact O-CB 3.31Å; W116-Q120 PolarHBondContact O-N 2.99Å |
| 117 | R | 92.3 | Very high | 92.3 | Very high | 173 Ų | 173 | 99.4 Ų | 99.4 | 65% | 0.653 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.5 | -42.5 | 177.1 | -74.8 | 179.8 | 179.8 | -165.2 | -1.4 | 111.8 | R113 V114 H115 Q120 V121 | R113-R117 WeakPolarHBondContact O-CG 3.34Å; R113-R117 PolarHBondContact O-N 3.33Å; R113-R117 VanDerWaalsContact O-N 3.12Å; V114-R117 PolarHBondContact O-N 3.49Å; H115-R117 PolarHBondContact O-N 3.46Å; R117-Q120 PolarHBondContact O-N 3.33Å; R117-V121 WeakPolarHBondContact O-CG2 3.35Å; R117-V121 PolarHBondContact O-N 3.25Å |
| 118 | Y | 91.8 | Very high | 91.9 | Very high | 78 Ų | 78 | 101 Ų | 101 | 31% | 0.306 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.2 | -50.9 | 175.4 | 171.3 | -100.4 | 0 | 0 | 0 | 111.3 | V114 H115 W116 Q120 V121 L122 C147 L154 F156 | V114-Y118 WeakPolarHBondContact O-CB 3.42Å; V114-Y118 PolarHBondContact O-N 2.89Å; H115-Y118 WeakPolarHBondContact O-CB 3.37Å; H115-Y118 PolarHBondContact O-N 3.22Å; W116-Y118 VanDerWaalsContact C-N 3.33Å; W116-Y118 PolarHBondContact O-N 2.9Å; Y118-Q120 VanDerWaalsContact C-N 3.33Å; Y118-Q120 PolarHBondContact O-N 2.91Å; Y118-V121 PolarHBondContact O-N 3.47Å; Y118-L122 HydrophobicContact CE1-CD2 4.04Å; Y118-L122 VanDerWaalsContact O-CB 3.31Å; Y118-L122 WeakPolarHBondContact O-CB 3.44Å; Y118-L122 PolarHBondContact O-N 3.13Å; Y118-C147 HydrophobicContact CD2-CB 4.4Å; Y118-C147 WeakPolarHBondContact CD2-SG 3.43Å; Y118-C147 HydrophobicContact CE2-CB 3.8Å; Y118-C147 WeakPolarHBondContact CE2-SG 3.37Å; Y118-L154 HydrophobicContact CD2-CD2 3.9Å; Y118-L154 HydrophobicContact CG-CD2 4.45Å; Y118-F156 HydrophobicContact CD2-CE1 4.42Å |
| 119 | C | 91.6 | Very high | 91.1 | Very high | 40 Ų | 40 | 98.1 Ų | 98.1 | 27% | 0.27 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.4 | -39.8 | 177.7 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | H115 W116 L122 N123 | H115-C119 PolarHBondContact O-N 3.17Å; H115-C119 PolarHBondContact O-SG 3.43Å; H115-C119 VanDerWaalsContact O-SG 3.33Å; W116-C119 PolarHBondContact O-N 2.89Å; C119-L122 PolarHBondContact O-N 3.44Å; C119-N123 WeakPolarHBondContact O-CB 3.45Å; C119-N123 VanDerWaalsContact O-CG 3.24Å; C119-N123 PolarHBondContact O-N 3.08Å; C119-N123 PolarHBondContact O-ND2 3.03Å |
| 120 | Q | 93.1 | Very high | 90.3 | Very high | 121 Ų | 121 | 96.7 Ų | 96.7 | 57% | 0.565 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61 | -47.6 | 177.4 | -174.6 | -177.1 | 10.5 | 0 | 0 | 111.7 | W116 R117 Y118 A124 | W116-Q120 WeakPolarHBondContact O-CB 3.31Å; W116-Q120 PolarHBondContact O-N 2.99Å; R117-Q120 PolarHBondContact O-N 3.33Å; Y118-Q120 VanDerWaalsContact C-N 3.33Å; Y118-Q120 PolarHBondContact O-N 2.91Å; Q120-A124 PolarHBondContact O-N 3.41Å; Q120-A124 VanDerWaalsContact O-N 3.08Å |
| 121 | V | 90 | Very high | 89.6 | Confident | 51 Ų | 51 | 95.1 Ų | 95.1 | 31% | 0.309 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.7 | -42.1 | 178.7 | 176 | 0 | 0 | 0 | 0 | 110.8 | R117 Y118 N123 A124 I125 F156 | R117-V121 WeakPolarHBondContact O-CG2 3.35Å; R117-V121 PolarHBondContact O-N 3.25Å; Y118-V121 PolarHBondContact O-N 3.47Å; V121-N123 VanDerWaalsContact C-N 3.34Å; V121-N123 PolarHBondContact O-N 2.88Å; V121-A124 WeakPolarHBondContact O-CB 3.29Å; V121-A124 PolarHBondContact O-N 3.31Å; V121-A124 VanDerWaalsContact O-N 3.13Å; V121-I125 HydrophobicContact CG1-CD1 3.92Å; V121-I125 HydrophobicContact CG1-CG1 4.35Å; V121-I125 WeakPolarHBondContact O-CG1 3.43Å; V121-I125 PolarHBondContact O-N 3.45Å; V121-F156 HydrophobicContact CB-CE1 3.91Å; V121-F156 HydrophobicContact CB-CE2 4.14Å; V121-F156 HydrophobicContact CB-CZ 3.58Å; V121-F156 HydrophobicContact CG1-CD1 3.77Å; V121-F156 HydrophobicContact CG1-CD2 4.15Å; V121-F156 HydrophobicContact CG1-CE1 3.44Å; V121-F156 VanDerWaalsContact CG1-CE1 3.44Å; V121-F156 HydrophobicContact CG1-CE2 3.86Å; V121-F156 HydrophobicContact CG1-CG 4.1Å; V121-F156 HydrophobicContact CG1-CZ 3.47Å; V121-F156 VanDerWaalsContact CG1-CZ 3.47Å; V121-F156 HydrophobicContact CG2-CE2 4.02Å; V121-F156 HydrophobicContact CG2-CZ 3.9Å |
| 122 | L | 88.7 | Confident | 88.5 | Confident | 41 Ų | 41 | 93.5 Ų | 93.5 | 22% | 0.215 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 178.4 | -171.7 | 68 | 0 | 0 | 0 | 111.5 | Y118 C119 A124 I125 Y126 | Y118-L122 HydrophobicContact CE1-CD2 4.04Å; Y118-L122 VanDerWaalsContact O-CB 3.31Å; Y118-L122 WeakPolarHBondContact O-CB 3.44Å; Y118-L122 PolarHBondContact O-N 3.13Å; C119-L122 PolarHBondContact O-N 3.44Å; L122-A124 VanDerWaalsContact C-N 3.33Å; L122-A124 PolarHBondContact O-N 2.94Å; L122-I125 PolarHBondContact O-N 3.03Å; L122-Y126 HydrophobicContact CD1-CE2 3.96Å; L122-Y126 HydrophobicContact CD2-CE2 3.79Å; L122-Y126 HydrophobicContact CG-CD2 3.96Å; L122-Y126 HydrophobicContact CG-CE2 3.49Å; L122-Y126 VanDerWaalsContact CG-CE2 3.49Å; L122-Y126 VanDerWaalsContact O-CD2 3.28Å; L122-Y126 WeakPolarHBondContact O-CD2 3.27Å; L122-Y126 PolarHBondContact O-N 3.38Å |
| 123 | N | 89.2 | Confident | 87.3 | Confident | 102 Ų | 102 | 91.2 Ų | 91.2 | 55% | 0.545 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 173.6 | -75.7 | -13.2 | 0 | 0 | 0 | 111.7 | C119 V121 Y126 V127 | C119-N123 WeakPolarHBondContact O-CB 3.45Å; C119-N123 VanDerWaalsContact O-CG 3.24Å; C119-N123 PolarHBondContact O-N 3.08Å; C119-N123 PolarHBondContact O-ND2 3.03Å; V121-N123 VanDerWaalsContact C-N 3.34Å; V121-N123 PolarHBondContact O-N 2.88Å; N123-Y126 PolarHBondContact O-N 2.88Å; N123-V127 WeakPolarHBondContact O-CG2 3.17Å; N123-V127 PolarHBondContact O-N 3.32Å |
| 124 | A | 89 | Confident | 86.2 | Confident | 48 Ų | 48 | 88.2 Ų | 88.2 | 40% | 0.397 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | Q120 V121 L122 V127 I128 | Q120-A124 PolarHBondContact O-N 3.41Å; Q120-A124 VanDerWaalsContact O-N 3.08Å; V121-A124 WeakPolarHBondContact O-CB 3.29Å; V121-A124 PolarHBondContact O-N 3.31Å; V121-A124 VanDerWaalsContact O-N 3.13Å; L122-A124 VanDerWaalsContact C-N 3.33Å; L122-A124 PolarHBondContact O-N 2.94Å; A124-V127 PolarHBondContact O-N 2.98Å; A124-I128 VanDerWaalsContact O-CG1 3.27Å; A124-I128 WeakPolarHBondContact O-CG1 3.39Å; A124-I128 PolarHBondContact O-N 3.35Å |
| 125 | I | 86.8 | Confident | 84.9 | Confident | 21 Ų | 21 | 90.4 Ų | 90.4 | 11% | 0.108 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -60.7 | -46.2 | 174.9 | -67.8 | 167.4 | 0 | 0 | 0 | 110.5 | V121 L122 V127 I128 Q129 F156 | V121-I125 HydrophobicContact CG1-CD1 3.92Å; V121-I125 HydrophobicContact CG1-CG1 4.35Å; V121-I125 WeakPolarHBondContact O-CG1 3.43Å; V121-I125 PolarHBondContact O-N 3.45Å; L122-I125 PolarHBondContact O-N 3.03Å; I125-V127 PolarHBondContact O-N 3.45Å; I125-I128 PolarHBondContact O-N 3.43Å; I125-Q129 HydrophobicContact CG2-CG 4.2Å; I125-Q129 WeakPolarHBondContact O-CB 3.43Å; I125-Q129 WeakPolarHBondContact O-CG 3.28Å; I125-Q129 PolarHBondContact O-N 2.82Å; I125-F156 HydrophobicContact CD1-CD1 4.33Å |
| 126 | Y | 86.4 | Confident | 83.1 | Confident | 138 Ų | 138 | 86 Ų | 86 | 54% | 0.541 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 178.3 | -75.5 | -49 | 0 | 0 | 0 | 112.7 | L122 N123 Q129 G130 | L122-Y126 HydrophobicContact CD1-CE2 3.96Å; L122-Y126 HydrophobicContact CD2-CE2 3.79Å; L122-Y126 HydrophobicContact CG-CD2 3.96Å; L122-Y126 HydrophobicContact CG-CE2 3.49Å; L122-Y126 VanDerWaalsContact CG-CE2 3.49Å; L122-Y126 VanDerWaalsContact O-CD2 3.28Å; L122-Y126 WeakPolarHBondContact O-CD2 3.27Å; L122-Y126 PolarHBondContact O-N 3.38Å; N123-Y126 PolarHBondContact O-N 2.88Å; Y126-Q129 PolarHBondContact O-N 2.99Å; Y126-G130 PolarHBondContact O-N 3.38Å |
| 127 | V | 88.1 | Confident | 81.2 | Confident | 91 Ų | 91 | 84 Ų | 84 | 55% | 0.552 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -63 | -44.4 | 175.2 | 171 | 0 | 0 | 0 | 0 | 111.1 | N123 A124 I125 G130 H131 | N123-V127 WeakPolarHBondContact O-CG2 3.17Å; N123-V127 PolarHBondContact O-N 3.32Å; A124-V127 PolarHBondContact O-N 2.98Å; I125-V127 PolarHBondContact O-N 3.45Å; V127-G130 PolarHBondContact O-N 2.98Å; V127-H131 PolarHBondContact O-N 2.94Å |
| 128 | I | 84.6 | Confident | 79.4 | Confident | 99 Ų | 99 | 83.2 Ų | 83.2 | 51% | 0.508 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 176.7 | -67.9 | 165 | 0 | 0 | 0 | 110.5 | A124 I125 G130 H131 W132 | A124-I128 VanDerWaalsContact O-CG1 3.27Å; A124-I128 WeakPolarHBondContact O-CG1 3.39Å; A124-I128 PolarHBondContact O-N 3.35Å; I125-I128 PolarHBondContact O-N 3.43Å; I128-G130 VanDerWaalsContact C-N 3.34Å; I128-G130 PolarHBondContact O-N 2.81Å; I128-H131 PolarHBondContact O-N 2.88Å; I128-W132 WeakPolarHBondContact O-CB 3.36Å; I128-W132 PolarHBondContact O-N 2.84Å |
| 129 | Q | 81.1 | Confident | 77.6 | Confident | 36 Ų | 36 | 83.7 Ų | 83.7 | 17% | 0.168 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 177.2 | -77.2 | 179.4 | -28.4 | 0 | 0 | 111.8 | I125 Y126 W132 Q133 L143 | I125-Q129 HydrophobicContact CG2-CG 4.2Å; I125-Q129 WeakPolarHBondContact O-CB 3.43Å; I125-Q129 WeakPolarHBondContact O-CG 3.28Å; I125-Q129 PolarHBondContact O-N 2.82Å; Y126-Q129 PolarHBondContact O-N 2.99Å; Q129-W132 PolarHBondContact O-N 3.38Å; Q129-Q133 WeakPolarHBondContact O-CB 3.23Å; Q129-Q133 VanDerWaalsContact O-CG 3.25Å; Q129-Q133 WeakPolarHBondContact O-CG 3.43Å; Q129-Q133 PolarHBondContact O-N 3.01Å; Q129-L143 HydrophobicContact CG-CD2 4.11Å; Q129-L143 PolarHBondContact NE2-O 3.26Å |
| 130 | G | 81.3 | Confident | 75.9 | Confident | 28 Ų | 28 | 86.7 Ų | 86.7 | 29% | 0.289 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.9 | -48.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y126 V127 I128 W132 Q133 C134 | Y126-G130 PolarHBondContact O-N 3.38Å; V127-G130 PolarHBondContact O-N 2.98Å; I128-G130 VanDerWaalsContact C-N 3.34Å; I128-G130 PolarHBondContact O-N 2.81Å; G130-W132 VanDerWaalsContact C-N 3.33Å; G130-W132 PolarHBondContact O-N 2.91Å; G130-Q133 PolarHBondContact O-N 3.24Å; G130-C134 PolarHBondContact O-N 3.39Å; G130-C134 PolarHBondContact O-SG 2.98Å; G130-C134 VanDerWaalsContact O-SG 3.38Å |
| 131 | H | 81.1 | Confident | 74.4 | Confident | 144 Ų | 144 | 82 Ų | 82 | 67% | 0.667 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -60.6 | -42.8 | 174.2 | -94.3 | -73 | 0 | 0 | 0 | 112.4 | V127 I128 C134 H135 | V127-H131 PolarHBondContact O-N 2.94Å; I128-H131 PolarHBondContact O-N 2.88Å; H131-C134 PolarHBondContact O-N 3.21Å; H131-H135 WeakPolarHBondContact O-CB 3.23Å; H131-H135 PolarHBondContact O-N 2.73Å |
| 132 | W | 72.4 | Confident | 73.1 | Confident | 89 Ų | 89 | 84.4 Ų | 84.4 | 34% | 0.337 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65 | -42.1 | 178.6 | -176.3 | -103.8 | 0 | 0 | 0 | 111.9 | I128 Q129 G130 H135 N136 A141 L143 | I128-W132 WeakPolarHBondContact O-CB 3.36Å; I128-W132 PolarHBondContact O-N 2.84Å; Q129-W132 PolarHBondContact O-N 3.38Å; G130-W132 VanDerWaalsContact C-N 3.33Å; G130-W132 PolarHBondContact O-N 2.91Å; W132-H135 CarbonylContact O-C 3.58Å; W132-H135 PolarHBondContact O-N 2.8Å; W132-N136 VanDerWaalsContact CZ2-ND2 3.33Å; W132-N136 WeakPolarHBondContact CZ2-ND2 3.49Å; W132-N136 PolarHBondContact NE1-ND2 2.87Å; W132-N136 VanDerWaalsContact O-CB 3.23Å; W132-N136 WeakPolarHBondContact O-CB 3.43Å; W132-N136 PolarHBondContact O-N 3.42Å; W132-A141 HydrophobicContact CZ2-CB 4.41Å; W132-A141 PolarHBondContact NE1-O 3.01Å; W132-L143 HydrophobicContact CD2-CD1 4.48Å; W132-L143 HydrophobicContact CG-CD1 4.44Å |
| 133 | Q | 72.1 | Confident | 72.2 | Confident | 118 Ų | 118 | 83.6 Ų | 83.6 | 55% | 0.551 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.5 | -42.5 | 175.5 | -76.5 | 175.2 | -2 | 0 | 0 | 111.8 | Q129 G130 H135 N136 C137 | Q129-Q133 WeakPolarHBondContact O-CB 3.23Å; Q129-Q133 VanDerWaalsContact O-CG 3.25Å; Q129-Q133 WeakPolarHBondContact O-CG 3.43Å; Q129-Q133 PolarHBondContact O-N 3.01Å; G130-Q133 PolarHBondContact O-N 3.24Å; Q133-H135 VanDerWaalsContact C-N 3.26Å; Q133-H135 PolarHBondContact O-N 3.37Å; Q133-N136 PolarHBondContact O-N 3.45Å; Q133-C137 PolarHBondContact O-N 3.45Å; Q133-C137 PolarHBondContact O-SG 2.86Å; Q133-C137 VanDerWaalsContact O-SG 3.37Å |
| 134 | C | 70.4 | Confident | 71.3 | Confident | 99 Ų | 99 | 85.3 Ų | 85.3 | 67% | 0.669 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.9 | -34 | 173.5 | -70.3 | 0 | 0 | 0 | 0 | 112.5 | G130 H131 | G130-C134 PolarHBondContact O-N 3.39Å; G130-C134 PolarHBondContact O-SG 2.98Å; G130-C134 VanDerWaalsContact O-SG 3.38Å; H131-C134 PolarHBondContact O-N 3.21Å |
| 135 | H | 64.7 | Low | 70.3 | Confident | 111 Ų | 111 | 84.5 Ų | 84.5 | 51% | 0.514 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -78.3 | -38.1 | 176.1 | -165.1 | -81.5 | 0 | 0 | 0 | 112.6 | H131 W132 Q133 C137 Q138 | H131-H135 WeakPolarHBondContact O-CB 3.23Å; H131-H135 PolarHBondContact O-N 2.73Å; W132-H135 CarbonylContact O-C 3.58Å; W132-H135 PolarHBondContact O-N 2.8Å; Q133-H135 VanDerWaalsContact C-N 3.26Å; Q133-H135 PolarHBondContact O-N 3.37Å; H135-C137 VanDerWaalsContact C-N 3.33Å; H135-C137 PolarHBondContact O-N 3.37Å; H135-Q138 VanDerWaalsContact O-CB 3.26Å; H135-Q138 WeakPolarHBondContact O-CB 3.39Å; H135-Q138 PolarHBondContact O-N 3.07Å |
| 136 | N | 55.3 | Low | 69.7 | Low | 20 Ų | 20 | 86.8 Ų | 86.8 | 11% | 0.107 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -80.2 | -6.2 | -179.3 | -84.5 | 6.3 | 0 | 0 | 0 | 115 | W132 Q133 Q138 T139 A141 | W132-N136 VanDerWaalsContact CZ2-ND2 3.33Å; W132-N136 WeakPolarHBondContact CZ2-ND2 3.49Å; W132-N136 PolarHBondContact NE1-ND2 2.87Å; W132-N136 VanDerWaalsContact O-CB 3.23Å; W132-N136 WeakPolarHBondContact O-CB 3.43Å; W132-N136 PolarHBondContact O-N 3.42Å; Q133-N136 PolarHBondContact O-N 3.45Å; N136-Q138 PolarHBondContact O-N 3.37Å; N136-T139 VanDerWaalsContact CA-O 3.26Å; N136-T139 WeakPolarHBondContact CA-O 3.33Å; N136-T139 WeakPolarHBondContact CB-O 3.48Å; N136-T139 PolarHBondContact ND2-O 3.35Å; N136-T139 CarbonylContact O-C 3.6Å; N136-T139 PolarHBondContact O-N 3.06Å; N136-T139 PolarHBondContact OD1-O 3.38Å; N136-A141 PolarHBondContact ND2-N 2.79Å; N136-A141 PolarHBondContact ND2-O 2.79Å |
| 137 | C | 54.4 | Low | 68.9 | Low | 117 Ų | 117 | 82.1 Ų | 82.1 | 79% | 0.791 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | -15.1 | 153.6 | -70 | 0 | 0 | 0 | 0 | 112.1 | Q133 H135 | Q133-C137 PolarHBondContact O-N 3.45Å; Q133-C137 PolarHBondContact O-SG 2.86Å; Q133-C137 VanDerWaalsContact O-SG 3.37Å; H135-C137 VanDerWaalsContact C-N 3.33Å; H135-C137 PolarHBondContact O-N 3.37Å |
| 138 | Q | 55.3 | Low | 68.4 | Low | 156 Ų | 156 | 82 Ų | 82 | 73% | 0.729 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -103.1 | -17.1 | 173.8 | -54.4 | -179.7 | -6.5 | 0 | 0 | 114.7 | H135 N136 | H135-Q138 VanDerWaalsContact O-CB 3.26Å; H135-Q138 WeakPolarHBondContact O-CB 3.39Å; H135-Q138 PolarHBondContact O-N 3.07Å; N136-Q138 PolarHBondContact O-N 3.37Å |
| 139 | T | 54.3 | Low | 67.8 | Low | 88 Ų | 88 | 81.9 Ų | 81.9 | 54% | 0.54 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -158.6 | 120.9 | -177.9 | 2.6 | 0 | 0 | 0 | 0 | 111 | N136 A141 | N136-T139 VanDerWaalsContact CA-O 3.26Å; N136-T139 WeakPolarHBondContact CA-O 3.33Å; N136-T139 WeakPolarHBondContact CB-O 3.48Å; N136-T139 PolarHBondContact ND2-O 3.35Å; N136-T139 CarbonylContact O-C 3.6Å; N136-T139 PolarHBondContact O-N 3.06Å; N136-T139 PolarHBondContact OD1-O 3.38Å; T139-A141 PolarHBondContact O-N 3.05Å |
| 140 | C | 56.3 | Low | 67.6 | Low | 103 Ų | 103 | 82.9 Ų | 82.9 | 70% | 0.696 | 46% | 0.458 | S | S | * | . | trans | -77 | 107.9 | -166.4 | -61.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 141 | A | 60.2 | Low | 67.1 | Low | 21 Ų | 21 | 86.8 Ų | 86.8 | 17% | 0.174 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 139.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | W132 N136 T139 N162 | W132-A141 HydrophobicContact CZ2-CB 4.41Å; W132-A141 PolarHBondContact NE1-O 3.01Å; N136-A141 PolarHBondContact ND2-N 2.79Å; N136-A141 PolarHBondContact ND2-O 2.79Å; T139-A141 PolarHBondContact O-N 3.05Å; A141-N162 WeakPolarHBondContact CB-OD1 3.4Å |
| 142 | L | 63.8 | Low | 66.8 | Low | 102 Ų | 102 | 85.7 Ų | 85.7 | 53% | 0.534 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 135.2 | -178.2 | 179.4 | 69.4 | 0 | 0 | 0 | 111.8 | I161 | L142-I161 HydrophobicContact CB-CB 4.5Å; L142-I161 PolarHBondContact N-O 3Å; L142-I161 PolarHBondContact O-N 3.45Å |
| 143 | L | 69.3 | Low | 66.7 | Low | 24 Ų | 24 | 86.4 Ų | 86.4 | 13% | 0.126 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 118.2 | -178.9 | -158.8 | 141.6 | 0 | 0 | 0 | 111.2 | Q129 W132 I158 E159 I160 | Q129-L143 HydrophobicContact CG-CD2 4.11Å; Q129-L143 PolarHBondContact NE2-O 3.26Å; W132-L143 HydrophobicContact CD2-CD1 4.48Å; W132-L143 HydrophobicContact CG-CD1 4.44Å; L143-I158 HydrophobicContact CD2-CG2 3.57Å; L143-I158 HydrophobicContact CG-CG2 4Å; L143-E159 CarbonylContact C-O 3.42Å; L143-I160 HydrophobicContact CD1-CD1 4.19Å; L143-I160 HydrophobicContact CD1-CG1 3.96Å; L143-I160 HydrophobicContact CG-CG1 4.18Å |
| 144 | R | 70.9 | Confident | 67.1 | Low | 138 Ų | 138 | 83 Ų | 83 | 52% | 0.521 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 121.8 | -176.3 | -166.3 | 179.1 | -167.9 | -169.2 | 3.4 | 111.1 | H146 E159 | R144-H146 VanDerWaalsContact CD-NE2 3.33Å; R144-H146 WeakPolarHBondContact CD-NE2 3.25Å; R144-H146 PolarHBondContact NE-NE2 3.39Å; R144-E159 HydrophobicContact CB-CB 4.44Å; R144-E159 PolarHBondContact N-O 3.37Å; R144-E159 PolarHBondContact O-N 3.02Å |
| 145 | G | 68.3 | Low | 67.4 | Low | 31 Ų | 31 | 83.7 Ų | 83.7 | 32% | 0.32 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 130 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H157 | G145-H157 CarbonylContact C-O 3.57Å; G145-H157 WeakPolarHBondContact CA-O 3.15Å |
| 146 | H | 73.5 | Confident | 67.8 | Low | 69 Ų | 69 | 81.7 Ų | 81.7 | 32% | 0.319 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 136.6 | 173.5 | -70 | -76.3 | 0 | 0 | 0 | 110.3 | R144 F156 H157 E159 | R144-H146 VanDerWaalsContact CD-NE2 3.33Å; R144-H146 WeakPolarHBondContact CD-NE2 3.25Å; R144-H146 PolarHBondContact NE-NE2 3.39Å; H146-F156 CarbonylContact O-C 3.59Å; H146-F156 WeakPolarHBondContact O-CA 3.35Å; H146-H157 HydrophobicContact CB-CB 4.38Å; H146-H157 PolarHBondContact N-O 2.78Å; H146-H157 PolarHBondContact O-N 3.3Å; H146-E159 IonicContact CD2-OE1 3.69Å; H146-E159 IonicContact NE2-OE2 3.93Å |
| 147 | C | 69.3 | Low | 68.9 | Low | 41 Ų | 41 | 85.8 Ų | 85.8 | 28% | 0.277 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 127.4 | 175.2 | 177.3 | 0 | 0 | 0 | 0 | 110.4 | Y118 F156 | Y118-C147 HydrophobicContact CD2-CB 4.4Å; Y118-C147 WeakPolarHBondContact CD2-SG 3.43Å; Y118-C147 HydrophobicContact CE2-CB 3.8Å; Y118-C147 WeakPolarHBondContact CE2-SG 3.37Å; C147-F156 HydrophobicContact CB-CD1 3.61Å; C147-F156 HydrophobicContact CB-CE1 3.62Å; C147-F156 WeakPolarHBondContact SG-CE1 3.26Å |
| 148 | V | 77.4 | Confident | 70 | Confident | 89 Ų | 89 | 84.8 Ų | 84.8 | 54% | 0.539 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.3 | 175.8 | -178.3 | 0 | 0 | 0 | 0 | 108.9 | Q155 | V148-Q155 PolarHBondContact N-O 3.42Å; V148-Q155 PolarHBondContact O-N 2.73Å |
| 149 | V | 72.8 | Confident | 71.1 | Confident | 95 Ų | 95 | 80.7 Ų | 80.7 | 58% | 0.576 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 109.2 | 176.4 | -176.5 | 0 | 0 | 0 | 0 | 108.5 | L154 | V149-L154 HydrophobicContact CG1-CD1 4.19Å; V149-L154 HydrophobicContact CG2-CD1 4.29Å; V149-L154 HydrophobicContact CG2-CD2 4.42Å; V149-L154 HydrophobicContact CG2-CG 4.15Å |
| 150 | T | 75.9 | Confident | 71.9 | Confident | 57 Ų | 57 | 81.2 Ų | 81.2 | 35% | 0.35 | 45% | 0.451 | S | S | . | . | trans | -97.8 | 155.9 | 177.4 | -43.7 | 0 | 0 | 0 | 0 | 109.6 | T152 H153 | T150-T152 PolarHBondContact O-N 2.79Å; T150-H153 CarbonylContact C-O 3.59Å; T150-H153 WeakPolarHBondContact CA-O 3.26Å; T150-H153 VanDerWaalsContact CB-O 3.29Å; T150-H153 WeakPolarHBondContact CB-O 3.09Å; T150-H153 PolarHBondContact N-O 3.27Å; T150-H153 PolarHBondContact O-N 2.81Å; T150-H153 VanDerWaalsContact O-O 3.11Å | ||
| 151 | A | 71.8 | Confident | 72.6 | Confident | 110 Ų | 110 | 80.2 Ų | 80.2 | 91% | 0.909 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -56.9 | -21.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 152 | T | 75.4 | Confident | 72.7 | Confident | 121 Ų | 121 | 85 Ų | 85 | 74% | 0.742 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -112.8 | -22.7 | -176.2 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | T150 | T150-T152 PolarHBondContact O-N 2.79Š|
| 153 | H | 70.6 | Confident | 72.4 | Confident | 105 Ų | 105 | 87.2 Ų | 87.2 | 49% | 0.486 | 48% | 0.484 | S | S | . | . | trans | -164 | 161.5 | -175.8 | 58.9 | -72.9 | 0 | 0 | 0 | 111.5 | T150 | T150-H153 CarbonylContact C-O 3.59Å; T150-H153 WeakPolarHBondContact CA-O 3.26Å; T150-H153 VanDerWaalsContact CB-O 3.29Å; T150-H153 WeakPolarHBondContact CB-O 3.09Å; T150-H153 PolarHBondContact N-O 3.27Å; T150-H153 PolarHBondContact O-N 2.81Å; T150-H153 VanDerWaalsContact O-O 3.11Å | ||
| 154 | L | 78.7 | Confident | 72.5 | Confident | 46 Ų | 46 | 90.4 Ų | 90.4 | 24% | 0.241 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 132.5 | 168.4 | -105.1 | 91.4 | 0 | 0 | 0 | 109.9 | V114 Y118 V149 F156 | V114-L154 HydrophobicContact CG1-CD1 3.56Å; Y118-L154 HydrophobicContact CD2-CD2 3.9Å; Y118-L154 HydrophobicContact CG-CD2 4.45Å; V149-L154 HydrophobicContact CG1-CD1 4.19Å; V149-L154 HydrophobicContact CG2-CD1 4.29Å; V149-L154 HydrophobicContact CG2-CD2 4.42Å; V149-L154 HydrophobicContact CG2-CG 4.15Å; L154-F156 HydrophobicContact CB-CD2 4.49Å; L154-F156 HydrophobicContact CB-CE2 3.8Å; L154-F156 HydrophobicContact CB-CZ 4.32Å; L154-F156 HydrophobicContact CD2-CE1 4.13Å; L154-F156 HydrophobicContact CD2-CE2 3.67Å; L154-F156 HydrophobicContact CD2-CZ 3.28Å; L154-F156 HydrophobicContact CG-CE2 4.36Å; L154-F156 HydrophobicContact CG-CZ 4.38Å |
| 155 | Q | 78.4 | Confident | 72.6 | Confident | 113 Ų | 113 | 87.9 Ų | 87.9 | 53% | 0.528 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.8 | 175.3 | -168.8 | 174.8 | 1.6 | 0 | 0 | 109.8 | V148 | V148-Q155 PolarHBondContact N-O 3.42Å; V148-Q155 PolarHBondContact O-N 2.73Å |
| 156 | F | 73.3 | Confident | 72.9 | Confident | 69 Ų | 69 | 91.1 Ų | 91.1 | 30% | 0.303 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.8 | 178.1 | -63 | -88.1 | 0 | 0 | 0 | 109.5 | Y118 V121 I125 H146 C147 L154 | Y118-F156 HydrophobicContact CD2-CE1 4.42Å; V121-F156 HydrophobicContact CB-CE1 3.91Å; V121-F156 HydrophobicContact CB-CE2 4.14Å; V121-F156 HydrophobicContact CB-CZ 3.58Å; V121-F156 HydrophobicContact CG1-CD1 3.77Å; V121-F156 HydrophobicContact CG1-CD2 4.15Å; V121-F156 HydrophobicContact CG1-CE1 3.44Å; V121-F156 VanDerWaalsContact CG1-CE1 3.44Å; V121-F156 HydrophobicContact CG1-CE2 3.86Å; V121-F156 HydrophobicContact CG1-CG 4.1Å; V121-F156 HydrophobicContact CG1-CZ 3.47Å; V121-F156 VanDerWaalsContact CG1-CZ 3.47Å; V121-F156 HydrophobicContact CG2-CE2 4.02Å; V121-F156 HydrophobicContact CG2-CZ 3.9Å; I125-F156 HydrophobicContact CD1-CD1 4.33Å; H146-F156 CarbonylContact O-C 3.59Å; H146-F156 WeakPolarHBondContact O-CA 3.35Å; C147-F156 HydrophobicContact CB-CD1 3.61Å; C147-F156 HydrophobicContact CB-CE1 3.62Å; C147-F156 WeakPolarHBondContact SG-CE1 3.26Å; L154-F156 HydrophobicContact CB-CD2 4.49Å; L154-F156 HydrophobicContact CB-CE2 3.8Å; L154-F156 HydrophobicContact CB-CZ 4.32Å; L154-F156 HydrophobicContact CD2-CE1 4.13Å; L154-F156 HydrophobicContact CD2-CE2 3.67Å; L154-F156 HydrophobicContact CD2-CZ 3.28Å; L154-F156 HydrophobicContact CG-CE2 4.36Å; L154-F156 HydrophobicContact CG-CZ 4.38Å |
| 157 | H | 77.6 | Confident | 72.8 | Confident | 106 Ų | 106 | 92.4 Ų | 92.4 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 133.7 | 176 | -164.7 | -106.6 | 0 | 0 | 0 | 108.7 | G145 H146 E159 | G145-H157 CarbonylContact C-O 3.57Å; G145-H157 WeakPolarHBondContact CA-O 3.15Å; H146-H157 HydrophobicContact CB-CB 4.38Å; H146-H157 PolarHBondContact N-O 2.78Å; H146-H157 PolarHBondContact O-N 3.3Å; H157-E159 IonicContact CE1-OE1 3.53Å; H157-E159 WeakPolarHBondContact ND1-CG 3.33Å; H157-E159 IonicContact ND1-OE1 3.07Å; H157-E159 PolarHBondContact ND1-OE1 2.78Å; H157-E159 VanDerWaalsContact ND1-OE1 3.07Å |
| 158 | I | 77.4 | Confident | 73 | Confident | 96 Ų | 96 | 95.6 Ų | 95.6 | 49% | 0.492 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 119.1 | 178.1 | -60 | 175 | 0 | 0 | 0 | 107.3 | L143 | L143-I158 HydrophobicContact CD2-CG2 3.57Å; L143-I158 HydrophobicContact CG-CG2 4Å |
| 159 | E | 77.6 | Confident | 72.7 | Confident | 70 Ų | 70 | 96 Ų | 96 | 33% | 0.327 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 132.9 | 177.3 | -70.6 | 166.7 | -157.2 | 0 | 0 | 109.2 | L143 R144 H146 H157 | L143-E159 CarbonylContact C-O 3.42Å; R144-E159 HydrophobicContact CB-CB 4.44Å; R144-E159 PolarHBondContact N-O 3.37Å; R144-E159 PolarHBondContact O-N 3.02Å; H146-E159 IonicContact CD2-OE1 3.69Å; H146-E159 IonicContact NE2-OE2 3.93Å; H157-E159 IonicContact CE1-OE1 3.53Å; H157-E159 WeakPolarHBondContact ND1-CG 3.33Å; H157-E159 IonicContact ND1-OE1 3.07Å; H157-E159 PolarHBondContact ND1-OE1 2.78Å; H157-E159 VanDerWaalsContact ND1-OE1 3.07Å |
| 160 | I | 70.9 | Confident | 72.7 | Confident | 100 Ų | 100 | 96.1 Ų | 96.1 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 112.6 | 173.9 | -52.5 | -180 | 0 | 0 | 0 | 106.6 | L143 | L143-I160 HydrophobicContact CD1-CD1 4.19Å; L143-I160 HydrophobicContact CD1-CG1 3.96Å; L143-I160 HydrophobicContact CG-CG1 4.18Å |
| 161 | I | 71.9 | Confident | 72.5 | Confident | 81 Ų | 81 | 99.1 Ų | 99.1 | 42% | 0.415 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 105.5 | 179.4 | -55.7 | 172.9 | 0 | 0 | 0 | 106.8 | L142 | L142-I161 HydrophobicContact CB-CB 4.5Å; L142-I161 PolarHBondContact N-O 3Å; L142-I161 PolarHBondContact O-N 3.45Å |
| 162 | N | 61.2 | Low | 72.6 | Confident | 122 Ų | 122 | 98.2 Ų | 98.2 | 65% | 0.652 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 122.9 | 171.8 | -66.3 | -18.2 | 0 | 0 | 0 | 108 | A141 | A141-N162 WeakPolarHBondContact CB-OD1 3.4Å |
| 163 | S | 57.7 | Low | 72.3 | Confident | 149 Ų | 149 | 96.1 Ų | 96.1 | 100% | 1.042 | 50% | 0.499 | S | S | * | . | trans | -83.3 | 0 | 171.3 | 54.2 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 163 of 163 residues in 73.1 ms
(Link to these results)