| 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 | 39.2 | Very low | 38.8 | Very low | 245 Ų | 245 | 163.4 Ų | 163.4 | 100% | 1.207 | 86% | 0.859 | S | S | * | * | 0 | 83.6 | 0 | -68.1 | 178.7 | 177.3 | 0 | 0 | 109.2 | |||||
| 2 | R | 43.9 | Very low | 38.6 | Very low | 251 Ų | 251 | 165.3 Ų | 165.3 | 95% | 0.947 | 86% | 0.855 | S | S | * | * | trans | -170.7 | 56.3 | 172.1 | -114.2 | -173.7 | -151.6 | -129.9 | 7.1 | 110.7 | ||||
| 3 | E | 41.9 | Very low | 38.6 | Very low | 185 Ų | 185 | 165.8 Ų | 165.8 | 86% | 0.864 | 85% | 0.851 | S | S | * | * | trans | -138.8 | 106.7 | 165 | -76 | -174.2 | 153.3 | 0 | 0 | 106.6 | ||||
| 4 | D | 37.3 | Very low | 38.7 | Very low | 170 Ų | 170 | 167.4 Ų | 167.4 | 91% | 0.909 | 85% | 0.853 | S | S | * | * | trans | -173.8 | 75.9 | 162.8 | -103.6 | -24.2 | 0 | 0 | 0 | 107.3 | ||||
| 5 | M | 46.4 | Very low | 38.9 | Very low | 182 Ų | 182 | 167.3 Ų | 167.3 | 90% | 0.897 | 85% | 0.848 | S | S | * | * | trans | -153.7 | 48.5 | -179 | -112.3 | -66.5 | -72.6 | 0 | 0 | 111.2 | ||||
| 6 | S | 47.8 | Very low | 39 | Very low | 117 Ų | 117 | 165.1 Ų | 165.1 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -162 | 73.8 | 165.9 | -149.7 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 7 | T | 38.2 | Very low | 39.4 | Very low | 128 Ų | 128 | 162.7 Ų | 162.7 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | trans | -155 | 61.8 | 156.5 | 0.9 | 0 | 0 | 0 | 0 | 112.3 | V9 | T7-V9 VanDerWaalsContact C-N 3.3Å; T7-V9 HydrophobicContact CG2-CG2 4.4Å; T7-V9 PolarHBondContact O-N 3.19Å | ||
| 8 | M | 33.5 | Very low | 39.7 | Very low | 184 Ų | 184 | 156.3 Ų | 156.3 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -73.7 | 95.4 | 156.2 | -174.6 | 169.4 | 173.5 | 0 | 0 | 107.2 | C10 | M8-C10 PolarHBondContact O-N 3.26Š| ||
| 9 | V | 32.9 | Very low | 40.6 | Very low | 105 Ų | 105 | 158.7 Ų | 158.7 | 64% | 0.636 | 83% | 0.825 | S | S | * | * | trans | -62.3 | 101.8 | 178.3 | 177.7 | 0 | 0 | 0 | 0 | 108.5 | T7 V11 | T7-V9 VanDerWaalsContact C-N 3.3Å; T7-V9 HydrophobicContact CG2-CG2 4.4Å; T7-V9 PolarHBondContact O-N 3.19Å; V9-V11 VanDerWaalsContact C-N 3.26Å; V9-V11 HydrophobicContact CG1-CG2 4.15Å; V9-V11 PolarHBondContact O-N 3.22Å | ||
| 10 | C | 33.2 | Very low | 41.6 | Very low | 116 Ų | 116 | 158.7 Ų | 158.7 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | -64.9 | 95.6 | 158.7 | -75.6 | 0 | 0 | 0 | 0 | 107 | M8 K12 | M8-C10 PolarHBondContact O-N 3.26Å; C10-K12 PolarHBondContact O-N 3.3Å | ||
| 11 | V | 32.2 | Very low | 42.8 | Very low | 114 Ų | 114 | 154.7 Ų | 154.7 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | trans | -59.6 | 104.6 | 165.2 | -179.8 | 0 | 0 | 0 | 0 | 106.1 | V9 E13 | V9-V11 VanDerWaalsContact C-N 3.26Å; V9-V11 HydrophobicContact CG1-CG2 4.15Å; V9-V11 PolarHBondContact O-N 3.22Å; V11-E13 PolarHBondContact O-N 3.42Å; V11-E13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | K | 37 | Very low | 44.8 | Very low | 187 Ų | 187 | 146 Ų | 146 | 81% | 0.813 | 76% | 0.76 | S | S | * | * | trans | -64 | 110.3 | 160.4 | -88.2 | -177.3 | 167.9 | -175.1 | 0 | 105.7 | C10 E14 | C10-K12 PolarHBondContact O-N 3.3Å; K12-E14 PolarHBondContact O-N 3.44Å; K12-E14 VanDerWaalsContact O-N 3.16Å | ||
| 13 | E | 37.7 | Very low | 46.4 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | -64.8 | 110.6 | 162 | -66.6 | 179.5 | 159.9 | 0 | 0 | 106.2 | V11 E15 | V11-E13 PolarHBondContact O-N 3.42Å; V11-E13 VanDerWaalsContact O-N 3.15Å; E13-E15 PolarHBondContact O-N 3.15Å | ||
| 14 | E | 40.5 | Very low | 48.3 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 87% | 0.874 | 72% | 0.722 | S | S | * | * | trans | -71.9 | 113.4 | 171.7 | -67.6 | -169.5 | 146.3 | 0 | 0 | 107.7 | K12 D16 | K12-E14 PolarHBondContact O-N 3.44Å; K12-E14 VanDerWaalsContact O-N 3.16Å; E14-D16 PolarHBondContact O-N 2.88Å | ||
| 15 | E | 42.4 | Very low | 50.7 | Low | 167 Ų | 167 | 130.2 Ų | 130.2 | 78% | 0.78 | 70% | 0.696 | S | S | * | * | trans | -78 | 103.8 | -176.9 | -65.9 | -172.6 | 128.9 | 0 | 0 | 110.9 | E13 | E13-E15 PolarHBondContact O-N 3.15Š| ||
| 16 | D | 40.3 | Very low | 52.6 | Low | 131 Ų | 131 | 124.9 Ų | 124.9 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | trans | -65.9 | 122.9 | 169.3 | -170.3 | 26.5 | 0 | 0 | 0 | 110.5 | E14 G18 | E14-D16 PolarHBondContact O-N 2.88Å; D16-G18 PolarHBondContact O-N 3.38Å | ||
| 17 | P | 44.6 | Very low | 54.6 | Low | 125 Ų | 125 | 121 Ų | 121 | 81% | 0.812 | 64% | 0.64 | S | S | * | * | trans | -83.8 | 57.1 | -170.4 | 35.4 | -37.8 | 0 | 0 | 0 | 113 | ||||
| 18 | G | 45 | Very low | 57.1 | Low | 48 Ų | 48 | 117.7 Ų | 117.7 | 50% | 0.495 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -83.1 | 141.8 | 151.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | D16 K20 | D16-G18 PolarHBondContact O-N 3.38Å; G18-K20 VanDerWaalsContact C-N 3.29Å; G18-K20 PolarHBondContact O-N 3.03Å |
| 19 | E | 56.7 | Low | 59.8 | Low | 202 Ų | 202 | 114.7 Ų | 114.7 | 94% | 0.944 | 60% | 0.601 | S | S | * | * | trans | -62 | 87.3 | 176.7 | -70.1 | -178.2 | 141.7 | 0 | 0 | 111 | L21 | E19-L21 PolarHBondContact O-N 3.17Š| ||
| 20 | K | 60.7 | Low | 62.6 | Low | 158 Ų | 158 | 110.4 Ų | 110.4 | 69% | 0.687 | 58% | 0.575 | S | S | * | * | trans | -69 | 97.6 | 172.7 | -71.1 | 178.2 | -174.1 | 170.2 | 0 | 108 | G18 S22 | G18-K20 VanDerWaalsContact C-N 3.29Å; G18-K20 PolarHBondContact O-N 3.03Å; K20-S22 PolarHBondContact O-N 3.39Å | ||
| 21 | L | 67.6 | Low | 65.4 | Low | 74 Ų | 74 | 110 Ų | 110 | 39% | 0.387 | 56% | 0.56 | S | S | . | * | trans | -44.1 | 123.8 | 168 | -73 | 161.3 | 0 | 0 | 0 | 109.2 | E19 E25 I26 | E19-L21 PolarHBondContact O-N 3.17Å; L21-E25 HydrophobicContact CD2-CG 4.04Å; L21-I26 HydrophobicContact CB-CD1 4.13Å; L21-I26 HydrophobicContact CB-CG1 3.68Å | ||
| 22 | S | 81.2 | Confident | 68.3 | Low | 62 Ų | 62 | 110.4 Ų | 110.4 | 43% | 0.434 | 55% | 0.554 | S | S | . | * | trans | -61.1 | 150.6 | 179.3 | 67.7 | 0 | 0 | 0 | 0 | 110.1 | K20 D24 E25 I26 | K20-S22 PolarHBondContact O-N 3.39Å; S22-D24 PolarHBondContact O-N 2.96Å; S22-E25 WeakPolarHBondContact O-CA 3.49Å; S22-E25 WeakPolarHBondContact O-CB 3.49Å; S22-E25 PolarHBondContact O-N 3.08Å; S22-E25 WeakPolarHBondContact OG-CB 3.48Å; S22-E25 PolarHBondContact OG-N 3.05Å; S22-I26 WeakPolarHBondContact O-CG1 3.41Å; S22-I26 PolarHBondContact O-N 3.35Å | ||
| 23 | Q | 77.2 | Confident | 71.1 | Confident | 74 Ų | 74 | 105.5 Ų | 105.5 | 35% | 0.346 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -54.9 | -39.5 | -179.4 | -179.6 | 173.9 | -12.8 | 0 | 0 | 111.8 | I26 I27 S95 | Q23-I26 PolarHBondContact O-N 3.31Å; Q23-I27 HydrophobicContact CG-CD1 4.08Å; Q23-I27 WeakPolarHBondContact O-CD1 3.44Å; Q23-I27 WeakPolarHBondContact O-CG1 3.32Å; Q23-I27 PolarHBondContact O-N 2.75Å; Q23-S95 PolarHBondContact NE2-OG 3.06Å |
| 24 | D | 81.7 | Confident | 73.7 | Confident | 125 Ų | 125 | 98.3 Ų | 98.3 | 67% | 0.668 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.6 | -36.7 | 176 | -64.7 | -36.4 | 0 | 0 | 0 | 112.8 | S22 I27 S28 | S22-D24 PolarHBondContact O-N 2.96Å; D24-I27 PolarHBondContact O-N 3.39Å; D24-S28 VanDerWaalsContact O-CB 3.28Å; D24-S28 WeakPolarHBondContact O-CB 3.04Å; D24-S28 PolarHBondContact O-N 2.72Å |
| 25 | E | 88.3 | Confident | 76.2 | Confident | 76 Ų | 76 | 95.8 Ų | 95.8 | 36% | 0.355 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.8 | -37.1 | 176.2 | -170.1 | 176.4 | -174.9 | 0 | 0 | 112.2 | L21 S22 S28 R29 | L21-E25 HydrophobicContact CD2-CG 4.04Å; S22-E25 WeakPolarHBondContact O-CA 3.49Å; S22-E25 WeakPolarHBondContact O-CB 3.49Å; S22-E25 PolarHBondContact O-N 3.08Å; S22-E25 WeakPolarHBondContact OG-CB 3.48Å; S22-E25 PolarHBondContact OG-N 3.05Å; E25-S28 PolarHBondContact O-N 2.75Å; E25-R29 WeakPolarHBondContact O-CB 3.26Å; E25-R29 VanDerWaalsContact O-CG 3.27Å; E25-R29 WeakPolarHBondContact O-CG 3.14Å; E25-R29 PolarHBondContact O-N 2.82Å; E25-R29 IonicContact OE1-CZ 3.6Å; E25-R29 IonicContact OE1-NE 2.68Å; E25-R29 PolarHBondContact OE1-NE 3.19Å; E25-R29 IonicContact OE1-NH2 3.79Å; E25-R29 PolarHBondContact OE1-NH2 2.72Å |
| 26 | I | 86.5 | Confident | 78.7 | Confident | 71 Ų | 71 | 89.9 Ų | 89.9 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.7 | -50.5 | 170.7 | -63.2 | 172.4 | 0 | 0 | 0 | 109.5 | L21 S22 Q23 S28 R29 T30 M91 | L21-I26 HydrophobicContact CB-CD1 4.13Å; L21-I26 HydrophobicContact CB-CG1 3.68Å; S22-I26 WeakPolarHBondContact O-CG1 3.41Å; S22-I26 PolarHBondContact O-N 3.35Å; Q23-I26 PolarHBondContact O-N 3.31Å; I26-S28 VanDerWaalsContact C-N 3.32Å; I26-S28 PolarHBondContact O-N 3.44Å; I26-R29 PolarHBondContact O-N 3.22Å; I26-T30 WeakPolarHBondContact O-CB 3.37Å; I26-T30 PolarHBondContact O-N 2.67Å; I26-T30 PolarHBondContact O-OG1 3.08Å; I26-T30 VanDerWaalsContact O-OG1 3.06Å; I26-M91 HydrophobicContact CG2-CE 4.38Å |
| 27 | I | 88.5 | Confident | 81.3 | Confident | 34 Ų | 34 | 85.4 Ų | 85.4 | 17% | 0.174 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -57 | -45.2 | 176.9 | -66.9 | 161.5 | 0 | 0 | 0 | 111.2 | Q23 D24 T30 K31 M92 S95 | Q23-I27 HydrophobicContact CG-CD1 4.08Å; Q23-I27 WeakPolarHBondContact O-CD1 3.44Å; Q23-I27 WeakPolarHBondContact O-CG1 3.32Å; Q23-I27 PolarHBondContact O-N 2.75Å; D24-I27 PolarHBondContact O-N 3.39Å; I27-T30 PolarHBondContact O-N 3.37Å; I27-K31 HydrophobicContact CG2-CD 4.42Å; I27-K31 WeakPolarHBondContact O-CG 3.43Å; I27-K31 PolarHBondContact O-N 2.95Å; I27-M92 HydrophobicContact CG2-CE 3.97Å; I27-M92 HydrophobicContact CG2-SD 3.92Å; I27-S95 WeakPolarHBondContact CD1-OG 3.35Å; I27-S95 WeakPolarHBondContact CG1-OG 3.39Å |
| 28 | S | 90.4 | Very high | 83.6 | Confident | 59 Ų | 59 | 84.5 Ų | 84.5 | 41% | 0.413 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.4 | -47.3 | -180 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | D24 E25 I26 K31 Q32 | D24-S28 VanDerWaalsContact O-CB 3.28Å; D24-S28 WeakPolarHBondContact O-CB 3.04Å; D24-S28 PolarHBondContact O-N 2.72Å; E25-S28 PolarHBondContact O-N 2.75Å; I26-S28 VanDerWaalsContact C-N 3.32Å; I26-S28 PolarHBondContact O-N 3.44Å; S28-K31 PolarHBondContact O-N 3.44Å; S28-Q32 WeakPolarHBondContact O-CG 3.47Å; S28-Q32 PolarHBondContact O-N 3.37Å |
| 29 | R | 91 | Very high | 86 | Confident | 122 Ų | 122 | 84.8 Ų | 84.8 | 46% | 0.46 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 175.9 | -69.7 | 175.2 | -175.1 | -148 | 5.8 | 111.7 | E25 I26 K31 Q32 V33 | E25-R29 WeakPolarHBondContact O-CB 3.26Å; E25-R29 VanDerWaalsContact O-CG 3.27Å; E25-R29 WeakPolarHBondContact O-CG 3.14Å; E25-R29 PolarHBondContact O-N 2.82Å; E25-R29 IonicContact OE1-CZ 3.6Å; E25-R29 IonicContact OE1-NE 2.68Å; E25-R29 PolarHBondContact OE1-NE 3.19Å; E25-R29 IonicContact OE1-NH2 3.79Å; E25-R29 PolarHBondContact OE1-NH2 2.72Å; I26-R29 PolarHBondContact O-N 3.22Å; R29-K31 PolarHBondContact O-N 3.3Å; R29-Q32 PolarHBondContact O-N 3.41Å; R29-V33 WeakPolarHBondContact O-CG2 3.47Å; R29-V33 PolarHBondContact O-N 2.99Å |
| 30 | T | 91.9 | Very high | 87.8 | Confident | 15 Ų | 15 | 78.4 Ų | 78.4 | 9% | 0.092 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 175.2 | -61.7 | 0 | 0 | 0 | 0 | 111.7 | I26 I27 V33 M34 A88 M91 M92 | I26-T30 WeakPolarHBondContact O-CB 3.37Å; I26-T30 PolarHBondContact O-N 2.67Å; I26-T30 PolarHBondContact O-OG1 3.08Å; I26-T30 VanDerWaalsContact O-OG1 3.06Å; I27-T30 PolarHBondContact O-N 3.37Å; T30-V33 PolarHBondContact O-N 3.23Å; T30-M34 HydrophobicContact CG2-SD 4.47Å; T30-M34 WeakPolarHBondContact O-CG 3.25Å; T30-M34 PolarHBondContact O-N 3.26Å; T30-A88 HydrophobicContact CG2-CB 4Å; T30-M91 HydrophobicContact CG2-CB 4.31Å; T30-M92 HydrophobicContact CG2-CG 4.06Å; T30-M92 HydrophobicContact CG2-SD 4.29Å |
| 31 | K | 92.1 | Very high | 89.4 | Confident | 107 Ų | 107 | 73.8 Ų | 73.8 | 47% | 0.465 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 174.1 | -74.9 | 178.4 | -179 | 178.5 | 0 | 112.9 | I27 S28 R29 M34 Q35 M92 | I27-K31 HydrophobicContact CG2-CD 4.42Å; I27-K31 WeakPolarHBondContact O-CG 3.43Å; I27-K31 PolarHBondContact O-N 2.95Å; S28-K31 PolarHBondContact O-N 3.44Å; R29-K31 PolarHBondContact O-N 3.3Å; K31-M34 PolarHBondContact O-N 3.27Å; K31-Q35 WeakPolarHBondContact O-CG 3.45Å; K31-Q35 PolarHBondContact O-N 2.93Å; K31-M92 HydrophobicContact CD-CE 4.48Å; K31-M92 VanDerWaalsContact CE-CE 3.48Å; K31-M92 HydrophobicContact CG-CE 4.22Å; K31-M92 HydrophobicContact CG-SD 3.93Å |
| 32 | Q | 93.9 | Very high | 90.6 | Very high | 123 Ų | 123 | 76.6 Ų | 76.6 | 58% | 0.575 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -63.6 | -41.4 | 176.3 | -70.6 | 173 | -2.4 | 0 | 0 | 111.6 | S28 R29 Q35 G36 | S28-Q32 WeakPolarHBondContact O-CG 3.47Å; S28-Q32 PolarHBondContact O-N 3.37Å; R29-Q32 PolarHBondContact O-N 3.41Å; Q32-Q35 PolarHBondContact O-N 2.89Å; Q32-G36 PolarHBondContact O-N 3.38Å |
| 33 | V | 94.1 | Very high | 91.3 | Very high | 83 Ų | 83 | 79.4 Ų | 79.4 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | R29 T30 Q35 G36 L37 | R29-V33 WeakPolarHBondContact O-CG2 3.47Å; R29-V33 PolarHBondContact O-N 2.99Å; T30-V33 PolarHBondContact O-N 3.23Å; V33-Q35 PolarHBondContact O-N 2.66Å; V33-G36 PolarHBondContact O-N 2.9Å; V33-L37 HydrophobicContact CG1-CD1 3.78Å; V33-L37 HydrophobicContact CG1-CG 4.23Å; V33-L37 WeakPolarHBondContact O-CB 3.45Å; V33-L37 VanDerWaalsContact O-CG 3.3Å; V33-L37 WeakPolarHBondContact O-CG 3.43Å; V33-L37 PolarHBondContact O-N 2.55Å |
| 34 | M | 93.8 | Very high | 92.1 | Very high | 22 Ų | 22 | 77.4 Ų | 77.4 | 11% | 0.108 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57.8 | -48.8 | 174.9 | -72.9 | 177.7 | 70.7 | 0 | 0 | 112.1 | T30 K31 G36 L37 E38 L85 A88 M92 | T30-M34 HydrophobicContact CG2-SD 4.47Å; T30-M34 WeakPolarHBondContact O-CG 3.25Å; T30-M34 PolarHBondContact O-N 3.26Å; K31-M34 PolarHBondContact O-N 3.27Å; M34-G36 VanDerWaalsContact C-N 3.32Å; M34-G36 PolarHBondContact O-N 3Å; M34-L37 PolarHBondContact O-N 2.96Å; M34-E38 PolarHBondContact O-N 3.03Å; M34-L85 HydrophobicContact CB-CD2 4.37Å; M34-A88 HydrophobicContact CG-CB 3.43Å; M34-A88 VanDerWaalsContact CG-CB 3.43Å; M34-A88 HydrophobicContact SD-CB 3.96Å; M34-M92 HydrophobicContact SD-CG 3.81Å |
| 35 | Q | 93.4 | Very high | 92.6 | Very high | 134 Ų | 134 | 75.4 Ų | 75.4 | 63% | 0.626 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.7 | -40 | 178.6 | -71.5 | 174.9 | -9.7 | 0 | 0 | 112.3 | K31 Q32 V33 A39 | K31-Q35 WeakPolarHBondContact O-CG 3.45Å; K31-Q35 PolarHBondContact O-N 2.93Å; Q32-Q35 PolarHBondContact O-N 2.89Å; V33-Q35 PolarHBondContact O-N 2.66Å; Q35-A39 WeakPolarHBondContact O-CB 3.24Å; Q35-A39 PolarHBondContact O-N 3.35Å |
| 36 | G | 94.8 | Very high | 92.9 | Very high | 43 Ų | 43 | 75.4 Ų | 75.4 | 44% | 0.443 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.1 | -41.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q32 V33 M34 L40 | Q32-G36 PolarHBondContact O-N 3.38Å; V33-G36 PolarHBondContact O-N 2.9Å; M34-G36 VanDerWaalsContact C-N 3.32Å; M34-G36 PolarHBondContact O-N 3Å; G36-L40 WeakPolarHBondContact O-CB 3.4Å; G36-L40 PolarHBondContact O-N 3.33Å |
| 37 | L | 93.8 | Very high | 93.2 | Very high | 37 Ų | 37 | 76 Ų | 76 | 19% | 0.194 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -68.4 | -36.5 | 176.6 | -71.7 | 172.5 | 0 | 0 | 0 | 112.4 | V33 M34 K41 L81 L85 | V33-L37 HydrophobicContact CG1-CD1 3.78Å; V33-L37 HydrophobicContact CG1-CG 4.23Å; V33-L37 WeakPolarHBondContact O-CB 3.45Å; V33-L37 VanDerWaalsContact O-CG 3.3Å; V33-L37 WeakPolarHBondContact O-CG 3.43Å; V33-L37 PolarHBondContact O-N 2.55Å; M34-L37 PolarHBondContact O-N 2.96Å; L37-K41 VanDerWaalsContact O-CB 3.24Å; L37-K41 WeakPolarHBondContact O-CB 3.09Å; L37-K41 PolarHBondContact O-N 3.42Å; L37-L81 HydrophobicContact CD2-CD2 3.58Å; L37-L85 HydrophobicContact CB-CD1 4.42Å; L37-L85 HydrophobicContact CB-CD2 3.58Å; L37-L85 HydrophobicContact CB-CG 3.82Å; L37-L85 HydrophobicContact CD1-CD2 4.3Å; L37-L85 HydrophobicContact CD1-CG 4.4Å |
| 38 | E | 93.6 | Very high | 93.3 | Very high | 105 Ų | 105 | 75.1 Ų | 75.1 | 49% | 0.491 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.9 | -43.2 | 174.1 | -84.5 | 168.8 | 159.2 | 0 | 0 | 112.1 | M34 K41 Q42 L85 | M34-E38 PolarHBondContact O-N 3.03Å; E38-K41 PolarHBondContact O-N 3.02Å; E38-Q42 PolarHBondContact O-N 2.93Å; E38-L85 HydrophobicContact CG-CD1 3.98Å; E38-L85 HydrophobicContact CG-CD2 3.8Å |
| 39 | A | 95.1 | Very high | 93.3 | Very high | 54 Ų | 54 | 78 Ų | 78 | 45% | 0.446 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q35 K41 Q42 E43 | Q35-A39 WeakPolarHBondContact O-CB 3.24Å; Q35-A39 PolarHBondContact O-N 3.35Å; A39-K41 VanDerWaalsContact C-N 3.34Å; A39-K41 PolarHBondContact O-N 3.14Å; A39-Q42 WeakPolarHBondContact O-CB 3.5Å; A39-Q42 PolarHBondContact O-N 3.44Å; A39-Q42 VanDerWaalsContact O-N 3.14Å; A39-E43 PolarHBondContact O-N 2.76Å |
| 40 | L | 94.8 | Very high | 93.3 | Very high | 68 Ų | 68 | 74.3 Ų | 74.3 | 36% | 0.356 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 178.5 | -172.4 | 61.3 | 0 | 0 | 0 | 112.1 | G36 Q42 E43 H44 L81 | G36-L40 WeakPolarHBondContact O-CB 3.4Å; G36-L40 PolarHBondContact O-N 3.33Å; L40-Q42 VanDerWaalsContact C-N 3.34Å; L40-Q42 PolarHBondContact O-N 2.89Å; L40-E43 PolarHBondContact O-N 2.89Å; L40-H44 WeakPolarHBondContact O-CB 3.28Å; L40-H44 PolarHBondContact O-CD2 3.15Å; L40-H44 PolarHBondContact O-N 3.09Å; L40-L81 HydrophobicContact CD2-CD1 4.4Å; L40-L81 HydrophobicContact CD2-CD2 3.8Å; L40-L81 HydrophobicContact CG-CD1 4.05Å; L40-L81 HydrophobicContact CG-CD2 4.26Å |
| 41 | K | 94.3 | Very high | 93 | Very high | 62 Ų | 62 | 75 Ų | 75 | 27% | 0.27 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 172.4 | -176.6 | -174 | 179.1 | 178.6 | 0 | 111.1 | L37 E38 A39 H44 H45 L78 L81 E82 L85 | L37-K41 VanDerWaalsContact O-CB 3.24Å; L37-K41 WeakPolarHBondContact O-CB 3.09Å; L37-K41 PolarHBondContact O-N 3.42Å; E38-K41 PolarHBondContact O-N 3.02Å; A39-K41 VanDerWaalsContact C-N 3.34Å; A39-K41 PolarHBondContact O-N 3.14Å; K41-H44 PolarHBondContact O-N 2.86Å; K41-H45 WeakPolarHBondContact O-CB 3.42Å; K41-H45 PolarHBondContact O-N 3.39Å; K41-L78 HydrophobicContact CG-CD2 3.8Å; K41-L78 WeakPolarHBondContact O-CD2 3.31Å; K41-L81 HydrophobicContact CB-CD1 4.41Å; K41-E82 HydrophobicContact CD-CG 4.21Å; K41-E82 WeakPolarHBondContact CE-OE1 3.31Å; K41-E82 IonicContact NZ-OE1 3.94Å; K41-E82 PolarHBondContact NZ-OE1 2.93Å; K41-L85 HydrophobicContact CD-CD1 4Å |
| 42 | Q | 93.6 | Very high | 92.7 | Very high | 132 Ų | 132 | 73.1 Ų | 73.1 | 62% | 0.617 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -64.6 | -40.7 | 179.4 | -166.4 | 66 | 19.3 | 0 | 0 | 112 | E38 A39 L40 H45 S46 | E38-Q42 PolarHBondContact O-N 2.93Å; A39-Q42 WeakPolarHBondContact O-CB 3.5Å; A39-Q42 PolarHBondContact O-N 3.44Å; A39-Q42 VanDerWaalsContact O-N 3.14Å; L40-Q42 VanDerWaalsContact C-N 3.34Å; L40-Q42 PolarHBondContact O-N 2.89Å; Q42-H45 PolarHBondContact O-N 3.22Å; Q42-S46 PolarHBondContact O-N 3.5Å |
| 43 | E | 94.8 | Very high | 92.2 | Very high | 121 Ų | 121 | 68.6 Ų | 68.6 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.4 | -48.8 | 173.9 | -70.8 | -177.2 | 176.5 | 0 | 0 | 111.9 | A39 L40 H45 S46 I47 | A39-E43 PolarHBondContact O-N 2.76Å; L40-E43 PolarHBondContact O-N 2.89Å; E43-H45 VanDerWaalsContact C-N 3.26Å; E43-H45 PolarHBondContact O-N 2.88Å; E43-S46 PolarHBondContact O-N 3.27Å; E43-I47 VanDerWaalsContact O-CG1 3.31Å; E43-I47 WeakPolarHBondContact O-CG1 3.38Å; E43-I47 PolarHBondContact O-N 3.47Å |
| 44 | H | 93.3 | Very high | 91.6 | Very high | 33 Ų | 33 | 67.9 Ų | 67.9 | 15% | 0.153 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -61.6 | -33.3 | 176.4 | -84.3 | -111.9 | 0 | 0 | 0 | 112.6 | L40 K41 L48 I74 S77 L78 L81 | L40-H44 WeakPolarHBondContact O-CB 3.28Å; L40-H44 PolarHBondContact O-CD2 3.15Å; L40-H44 PolarHBondContact O-N 3.09Å; K41-H44 PolarHBondContact O-N 2.86Å; H44-L48 WeakPolarHBondContact O-CB 3.49Å; H44-L48 PolarHBondContact O-N 2.87Å; H44-I74 HydrophobicContact CB-CG2 4.27Å; H44-I74 WeakPolarHBondContact O-CG2 3.06Å; H44-S77 PolarHBondContact CE1-OG 3.41Å; H44-S77 PolarHBondContact ND1-OG 2.66Å; H44-L78 HydrophobicContact CB-CD2 3.6Å; H44-L78 HydrophobicContact CB-CG 3.95Å; H44-L81 HydrophobicContact CB-CD1 4.49Å |
| 45 | H | 93.6 | Very high | 90.9 | Very high | 82 Ų | 82 | 68.5 Ų | 68.5 | 38% | 0.38 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.2 | -47.1 | 174.6 | -163.4 | 80.6 | 0 | 0 | 0 | 111.5 | K41 Q42 E43 I47 L48 E49 | K41-H45 WeakPolarHBondContact O-CB 3.42Å; K41-H45 PolarHBondContact O-N 3.39Å; Q42-H45 PolarHBondContact O-N 3.22Å; E43-H45 VanDerWaalsContact C-N 3.26Å; E43-H45 PolarHBondContact O-N 2.88Å; H45-I47 VanDerWaalsContact C-N 3.34Å; H45-I47 PolarHBondContact O-N 3.01Å; H45-L48 WeakPolarHBondContact O-CB 3.22Å; H45-L48 PolarHBondContact O-N 2.9Å; H45-L48 VanDerWaalsContact O-N 3.1Å; H45-E49 PolarHBondContact O-N 3.4Å |
| 46 | S | 94.1 | Very high | 90.2 | Very high | 76 Ų | 76 | 71.9 Ų | 71.9 | 53% | 0.531 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 175.7 | -177.8 | 0 | 0 | 0 | 0 | 112.4 | Q42 E43 L48 E49 G50 | Q42-S46 PolarHBondContact O-N 3.5Å; E43-S46 PolarHBondContact O-N 3.27Å; S46-L48 PolarHBondContact O-N 3.44Å; S46-E49 PolarHBondContact O-N 2.83Å; S46-G50 PolarHBondContact O-N 3.42Å |
| 47 | I | 92.8 | Very high | 89.3 | Confident | 83 Ų | 83 | 75.1 Ų | 75.1 | 43% | 0.426 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62 | -43 | 173.2 | -67.4 | 165 | 0 | 0 | 0 | 110.7 | E43 H45 G50 L51 I74 | E43-I47 VanDerWaalsContact O-CG1 3.31Å; E43-I47 WeakPolarHBondContact O-CG1 3.38Å; E43-I47 PolarHBondContact O-N 3.47Å; H45-I47 VanDerWaalsContact C-N 3.34Å; H45-I47 PolarHBondContact O-N 3.01Å; I47-G50 PolarHBondContact O-N 2.72Å; I47-L51 HydrophobicContact CG2-CD1 3.9Å; I47-L51 HydrophobicContact CG2-CG 4.39Å; I47-L51 VanDerWaalsContact O-CG 3.29Å; I47-L51 WeakPolarHBondContact O-CG 3.5Å; I47-L51 PolarHBondContact O-N 3.15Å; I47-I74 HydrophobicContact CG2-CD1 4.01Å; I47-I74 HydrophobicContact CG2-CG1 4.07Å |
| 48 | L | 91.2 | Very high | 88.2 | Confident | 17 Ų | 17 | 76.1 Ų | 76.1 | 9% | 0.089 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 177.6 | -176 | 61.5 | 0 | 0 | 0 | 112.1 | H44 H45 S46 G50 L51 L52 S71 I74 R75 L78 | H44-L48 WeakPolarHBondContact O-CB 3.49Å; H44-L48 PolarHBondContact O-N 2.87Å; H45-L48 WeakPolarHBondContact O-CB 3.22Å; H45-L48 PolarHBondContact O-N 2.9Å; H45-L48 VanDerWaalsContact O-N 3.1Å; S46-L48 PolarHBondContact O-N 3.44Å; L48-G50 VanDerWaalsContact C-N 3.31Å; L48-G50 PolarHBondContact O-N 3.38Å; L48-L51 PolarHBondContact O-N 2.98Å; L48-L52 HydrophobicContact CD1-CD1 4.17Å; L48-L52 HydrophobicContact CD1-CG 4.2Å; L48-L52 HydrophobicContact CG-CD1 3.92Å; L48-L52 HydrophobicContact CG-CG 4.37Å; L48-L52 WeakPolarHBondContact O-CB 3.18Å; L48-L52 VanDerWaalsContact O-CG 3.26Å; L48-L52 WeakPolarHBondContact O-CG 3.29Å; L48-L52 PolarHBondContact O-N 3.46Å; L48-S71 WeakPolarHBondContact CD1-O 3.4Å; L48-I74 HydrophobicContact CB-CG2 3.82Å; L48-I74 HydrophobicContact CD1-CG2 4.43Å; L48-R75 HydrophobicContact CD1-CG 4.02Å; L48-R75 HydrophobicContact CD2-CG 3.65Å; L48-L78 HydrophobicContact CB-CD1 4.48Å; L48-L78 HydrophobicContact CD2-CD1 3.76Å |
| 49 | E | 90.4 | Very high | 86.3 | Confident | 119 Ų | 119 | 80.1 Ų | 80.1 | 56% | 0.556 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59.7 | -42.5 | 174.8 | -71.7 | -169.7 | 129.7 | 0 | 0 | 111.6 | H45 S46 L52 G53 | H45-E49 PolarHBondContact O-N 3.4Å; S46-E49 PolarHBondContact O-N 2.83Å; E49-L52 PolarHBondContact O-N 3.05Å; E49-G53 PolarHBondContact O-N 3.04Å |
| 50 | G | 89.9 | Confident | 84.5 | Confident | 44 Ų | 44 | 87.1 Ų | 87.1 | 45% | 0.454 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S46 I47 L48 G53 T54 | S46-G50 PolarHBondContact O-N 3.42Å; I47-G50 PolarHBondContact O-N 2.72Å; L48-G50 VanDerWaalsContact C-N 3.31Å; L48-G50 PolarHBondContact O-N 3.38Å; G50-G53 WeakPolarHBondContact O-CA 2.9Å; G50-G53 PolarHBondContact O-N 2.88Å; G50-G53 VanDerWaalsContact O-N 3.16Å; G50-T54 PolarHBondContact O-N 3.11Å; G50-T54 PolarHBondContact O-OG1 3.44Å |
| 51 | L | 86.6 | Confident | 82.8 | Confident | 30 Ų | 30 | 89.2 Ų | 89.2 | 16% | 0.157 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.9 | -36.8 | 177.7 | -67.5 | 168.5 | 0 | 0 | 0 | 112.6 | I47 L48 G53 T54 L55 V67 K70 S71 I74 | I47-L51 HydrophobicContact CG2-CD1 3.9Å; I47-L51 HydrophobicContact CG2-CG 4.39Å; I47-L51 VanDerWaalsContact O-CG 3.29Å; I47-L51 WeakPolarHBondContact O-CG 3.5Å; I47-L51 PolarHBondContact O-N 3.15Å; L48-L51 PolarHBondContact O-N 2.98Å; L51-G53 VanDerWaalsContact C-N 3.27Å; L51-G53 PolarHBondContact O-N 3.2Å; L51-T54 PolarHBondContact O-N 2.86Å; L51-T54 PolarHBondContact O-OG1 3.42Å; L51-L55 WeakPolarHBondContact O-CB 3.43Å; L51-L55 PolarHBondContact O-N 3.43Å; L51-V67 HydrophobicContact CB-CG1 4.24Å; L51-V67 HydrophobicContact CD2-CG1 4.03Å; L51-K70 HydrophobicContact CD1-CB 4.19Å; L51-K70 HydrophobicContact CD2-CB 4.48Å; L51-S71 WeakPolarHBondContact CB-OG 3.46Å; L51-I74 HydrophobicContact CD1-CG1 4.07Å |
| 52 | L | 84.3 | Confident | 81.3 | Confident | 68 Ų | 68 | 94.8 Ų | 94.8 | 36% | 0.356 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -73 | -19.7 | 172.8 | -68.5 | 173.7 | 0 | 0 | 0 | 112.9 | L48 E49 R56 | L48-L52 HydrophobicContact CD1-CD1 4.17Å; L48-L52 HydrophobicContact CD1-CG 4.2Å; L48-L52 HydrophobicContact CG-CD1 3.92Å; L48-L52 HydrophobicContact CG-CG 4.37Å; L48-L52 WeakPolarHBondContact O-CB 3.18Å; L48-L52 VanDerWaalsContact O-CG 3.26Å; L48-L52 WeakPolarHBondContact O-CG 3.29Å; L48-L52 PolarHBondContact O-N 3.46Å; E49-L52 PolarHBondContact O-N 3.05Å; L52-R56 PolarHBondContact O-NE 2.88Å; L52-R56 VanDerWaalsContact O-NE 3.15Å |
| 53 | G | 84.3 | Confident | 79.8 | Confident | 28 Ų | 28 | 94.9 Ų | 94.9 | 29% | 0.289 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.2 | -50.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E49 G50 L51 L55 R56 | E49-G53 PolarHBondContact O-N 3.04Å; G50-G53 WeakPolarHBondContact O-CA 2.9Å; G50-G53 PolarHBondContact O-N 2.88Å; G50-G53 VanDerWaalsContact O-N 3.16Å; L51-G53 VanDerWaalsContact C-N 3.27Å; L51-G53 PolarHBondContact O-N 3.2Å; G53-L55 PolarHBondContact O-N 3.14Å; G53-R56 WeakPolarHBondContact O-CB 3.38Å; G53-R56 PolarHBondContact O-N 3.2Å |
| 54 | T | 82.5 | Confident | 78.8 | Confident | 67 Ų | 67 | 89.5 Ų | 89.5 | 41% | 0.411 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.8 | -37.8 | 178.1 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | G50 L51 R56 C57 L58 | G50-T54 PolarHBondContact O-N 3.11Å; G50-T54 PolarHBondContact O-OG1 3.44Å; L51-T54 PolarHBondContact O-N 2.86Å; L51-T54 PolarHBondContact O-OG1 3.42Å; T54-R56 VanDerWaalsContact C-N 3.25Å; T54-R56 PolarHBondContact O-N 3.1Å; T54-C57 PolarHBondContact O-N 3.29Å; T54-L58 PolarHBondContact O-N 2.87Å; T54-L58 VanDerWaalsContact O-N 3.14Å |
| 55 | L | 78.3 | Confident | 78.1 | Confident | 36 Ų | 36 | 92 Ų | 92 | 19% | 0.188 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -57.7 | -34.2 | 172 | -102.7 | 160.9 | 0 | 0 | 0 | 113.8 | L51 G53 C57 V67 E68 | L51-L55 WeakPolarHBondContact O-CB 3.43Å; L51-L55 PolarHBondContact O-N 3.43Å; G53-L55 PolarHBondContact O-N 3.14Å; L55-C57 VanDerWaalsContact C-N 3.25Å; L55-C57 PolarHBondContact O-N 3.5Å; L55-V67 HydrophobicContact CB-CG1 4.48Å; L55-V67 HydrophobicContact CD1-CB 4.45Å; L55-V67 HydrophobicContact CD1-CG1 3.82Å; L55-V67 HydrophobicContact CG-CB 4.16Å; L55-V67 HydrophobicContact CG-CG1 3.66Å; L55-E68 HydrophobicContact CD1-CG 3.77Å; L55-E68 HydrophobicContact CD2-CG 3.59Å; L55-E68 HydrophobicContact CG-CG 4.27Å |
| 56 | R | 78.3 | Confident | 77.5 | Confident | 204 Ų | 204 | 92.4 Ų | 92.4 | 77% | 0.77 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -71.7 | -19.2 | 176.3 | -101.9 | 177.6 | -73.5 | -176.6 | -4.1 | 113.6 | L52 G53 T54 | L52-R56 PolarHBondContact O-NE 2.88Å; L52-R56 VanDerWaalsContact O-NE 3.15Å; G53-R56 WeakPolarHBondContact O-CB 3.38Å; G53-R56 PolarHBondContact O-N 3.2Å; T54-R56 VanDerWaalsContact C-N 3.25Å; T54-R56 PolarHBondContact O-N 3.1Å |
| 57 | C | 75.4 | Confident | 76.9 | Confident | 111 Ų | 111 | 89.8 Ų | 89.8 | 75% | 0.75 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -95.2 | -25.9 | -179.8 | -65.9 | 0 | 0 | 0 | 0 | 113.2 | T54 L55 | T54-C57 PolarHBondContact O-N 3.29Å; L55-C57 VanDerWaalsContact C-N 3.25Å; L55-C57 PolarHBondContact O-N 3.5Å |
| 58 | L | 70.8 | Confident | 76.4 | Confident | 59 Ų | 59 | 91.2 Ų | 91.2 | 31% | 0.309 | 47% | 0.471 | S | S | . | . | trans | -84.1 | 131.3 | -179.5 | -71.2 | 164.4 | 0 | 0 | 0 | 111.5 | T54 V67 | T54-L58 PolarHBondContact O-N 2.87Å; T54-L58 VanDerWaalsContact O-N 3.14Å; L58-V67 HydrophobicContact CD1-CG2 4.3Å | ||
| 59 | K | 54.3 | Low | 76.1 | Confident | 188 Ų | 188 | 96.2 Ų | 96.2 | 82% | 0.817 | 49% | 0.493 | S | S | * | . | trans | -107.5 | 93.4 | 176.1 | -74.4 | -174.5 | 177.5 | 179.8 | 0 | 111.1 | D61 | K59-D61 PolarHBondContact O-N 3.05Š| ||
| 60 | Q | 57.9 | Low | 76 | Confident | 202 Ų | 202 | 95.6 Ų | 95.6 | 94% | 0.944 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 45.9 | 46.5 | 165.2 | -68.9 | -170.4 | -26.7 | 0 | 0 | 116.6 | ||
| 61 | D | 59.3 | Low | 75.9 | Confident | 112 Ų | 112 | 93.5 Ų | 93.5 | 60% | 0.599 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -103.2 | 165.8 | 162.4 | -73.8 | -49.8 | 0 | 0 | 0 | 110.4 | K59 E63 G64 | K59-D61 PolarHBondContact O-N 3.05Å; D61-E63 PolarHBondContact O-N 3.28Å; D61-E63 VanDerWaalsContact O-N 3.09Å; D61-G64 PolarHBondContact O-N 2.94Å |
| 62 | E | 60.8 | Low | 76.1 | Confident | 178 Ų | 178 | 97.6 Ų | 97.6 | 83% | 0.832 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -55.3 | -29.1 | -179.8 | -67.6 | -169.8 | 152.3 | 0 | 0 | 113.3 | G64 V65 L66 | E62-G64 PolarHBondContact O-N 3.28Å; E62-V65 PolarHBondContact O-N 3.41Å; E62-L66 PolarHBondContact O-N 3.01Å |
| 63 | E | 64 | Low | 76.5 | Confident | 134 Ų | 134 | 101 Ų | 101 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.7 | -30.1 | 174.6 | -62.7 | -170 | 148.3 | 0 | 0 | 112.9 | D61 L66 V67 | D61-E63 PolarHBondContact O-N 3.28Å; D61-E63 VanDerWaalsContact O-N 3.09Å; E63-L66 PolarHBondContact O-N 2.96Å; E63-V67 WeakPolarHBondContact O-CG2 3.45Å; E63-V67 PolarHBondContact O-N 3.28Å; E63-V67 VanDerWaalsContact O-N 3.16Å |
| 64 | G | 72.6 | Confident | 76.8 | Confident | 9 Ų | 9 | 101 Ų | 101 | 9% | 0.093 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -65.1 | -44.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D61 E62 L66 V67 E68 | D61-G64 PolarHBondContact O-N 2.94Å; E62-G64 PolarHBondContact O-N 3.28Å; G64-L66 VanDerWaalsContact C-N 3.28Å; G64-L66 PolarHBondContact O-N 3.25Å; G64-V67 PolarHBondContact O-N 3.07Å; G64-V67 VanDerWaalsContact O-N 3.12Å; G64-E68 PolarHBondContact O-N 3.18Å |
| 65 | V | 77.9 | Confident | 77.3 | Confident | 84 Ų | 84 | 102.8 Ų | 102.8 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59 | -42.9 | 177.7 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | E62 V67 E68 E69 | E62-V65 PolarHBondContact O-N 3.41Å; V65-V67 VanDerWaalsContact C-N 3.29Å; V65-V67 PolarHBondContact O-N 3.46Å; V65-E68 WeakPolarHBondContact O-CB 3.37Å; V65-E68 PolarHBondContact O-N 2.89Å; V65-E68 VanDerWaalsContact O-N 3.14Å; V65-E69 PolarHBondContact O-N 3.26Å |
| 66 | L | 81.3 | Confident | 78 | Confident | 92 Ų | 92 | 107.5 Ų | 107.5 | 48% | 0.482 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.3 | -24.6 | -178.8 | -150.8 | 139.8 | 0 | 0 | 0 | 112.6 | E62 E63 G64 K70 | E62-L66 PolarHBondContact O-N 3.01Å; E63-L66 PolarHBondContact O-N 2.96Å; G64-L66 VanDerWaalsContact C-N 3.28Å; G64-L66 PolarHBondContact O-N 3.25Å; L66-K70 HydrophobicContact CD2-CD 4.3Å; L66-K70 VanDerWaalsContact CD2-NZ 3.34Å; L66-K70 WeakPolarHBondContact O-CD 3.39Å; L66-K70 VanDerWaalsContact O-CG 3.29Å; L66-K70 WeakPolarHBondContact O-CG 3.31Å; L66-K70 PolarHBondContact O-N 3.3Å |
| 67 | V | 82.1 | Confident | 78.8 | Confident | 21 Ų | 21 | 99.7 Ų | 99.7 | 13% | 0.127 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -80.5 | -33 | 170.3 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | L51 L55 L58 E63 G64 V65 S71 | L51-V67 HydrophobicContact CB-CG1 4.24Å; L51-V67 HydrophobicContact CD2-CG1 4.03Å; L55-V67 HydrophobicContact CB-CG1 4.48Å; L55-V67 HydrophobicContact CD1-CB 4.45Å; L55-V67 HydrophobicContact CD1-CG1 3.82Å; L55-V67 HydrophobicContact CG-CB 4.16Å; L55-V67 HydrophobicContact CG-CG1 3.66Å; L58-V67 HydrophobicContact CD1-CG2 4.3Å; E63-V67 WeakPolarHBondContact O-CG2 3.45Å; E63-V67 PolarHBondContact O-N 3.28Å; E63-V67 VanDerWaalsContact O-N 3.16Å; G64-V67 PolarHBondContact O-N 3.07Å; G64-V67 VanDerWaalsContact O-N 3.12Å; V65-V67 VanDerWaalsContact C-N 3.29Å; V65-V67 PolarHBondContact O-N 3.46Å; V67-S71 VanDerWaalsContact O-CB 3.31Å; V67-S71 WeakPolarHBondContact O-CB 3.45Å; V67-S71 PolarHBondContact O-N 3.45Å; V67-S71 PolarHBondContact O-OG 3.47Å |
| 68 | E | 81.9 | Confident | 79.6 | Confident | 113 Ų | 113 | 95.1 Ų | 95.1 | 53% | 0.528 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 171.8 | -69.9 | -170.5 | 154.4 | 0 | 0 | 112 | L55 G64 V65 S71 H72 | L55-E68 HydrophobicContact CD1-CG 3.77Å; L55-E68 HydrophobicContact CD2-CG 3.59Å; L55-E68 HydrophobicContact CG-CG 4.27Å; G64-E68 PolarHBondContact O-N 3.18Å; V65-E68 WeakPolarHBondContact O-CB 3.37Å; V65-E68 PolarHBondContact O-N 2.89Å; V65-E68 VanDerWaalsContact O-N 3.14Å; E68-S71 WeakPolarHBondContact O-CB 3.17Å; E68-S71 PolarHBondContact O-N 2.97Å; E68-H72 WeakPolarHBondContact O-CB 3.4Å; E68-H72 PolarHBondContact O-N 3.49Å |
| 69 | E | 85.8 | Confident | 80.7 | Confident | 121 Ų | 121 | 98.1 Ų | 98.1 | 57% | 0.565 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -59.4 | -47.8 | 175.9 | -71.8 | -176 | 160.9 | 0 | 0 | 111.7 | V65 S71 H72 M73 | V65-E69 PolarHBondContact O-N 3.26Å; E69-S71 VanDerWaalsContact C-N 3.34Å; E69-S71 PolarHBondContact O-N 3.29Å; E69-H72 PolarHBondContact O-N 3.18Å; E69-H72 VanDerWaalsContact O-N 3.14Å; E69-M73 WeakPolarHBondContact O-CG 3.19Å; E69-M73 PolarHBondContact O-N 3.11Å |
| 70 | K | 88.1 | Confident | 82.6 | Confident | 106 Ų | 106 | 95.1 Ų | 95.1 | 46% | 0.461 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.7 | -43.9 | 173.8 | -74.9 | 170.4 | -180 | 169.5 | 0 | 111.9 | L51 L66 H72 M73 I74 | L51-K70 HydrophobicContact CD1-CB 4.19Å; L51-K70 HydrophobicContact CD2-CB 4.48Å; L66-K70 HydrophobicContact CD2-CD 4.3Å; L66-K70 VanDerWaalsContact CD2-NZ 3.34Å; L66-K70 WeakPolarHBondContact O-CD 3.39Å; L66-K70 VanDerWaalsContact O-CG 3.29Å; L66-K70 WeakPolarHBondContact O-CG 3.31Å; L66-K70 PolarHBondContact O-N 3.3Å; K70-H72 VanDerWaalsContact C-N 3.27Å; K70-H72 PolarHBondContact O-N 3.48Å; K70-M73 PolarHBondContact O-N 3.34Å; K70-I74 WeakPolarHBondContact O-CG1 3.39Å; K70-I74 PolarHBondContact O-N 3.16Å |
| 71 | S | 87.8 | Confident | 84.3 | Confident | 0 Ų | 0 | 86.3 Ų | 86.3 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.5 | -32.6 | 177.1 | -59.1 | 0 | 0 | 0 | 0 | 112.6 | L48 L51 V67 E68 E69 R75 | L48-S71 WeakPolarHBondContact CD1-O 3.4Å; L51-S71 WeakPolarHBondContact CB-OG 3.46Å; V67-S71 VanDerWaalsContact O-CB 3.31Å; V67-S71 WeakPolarHBondContact O-CB 3.45Å; V67-S71 PolarHBondContact O-N 3.45Å; V67-S71 PolarHBondContact O-OG 3.47Å; E68-S71 WeakPolarHBondContact O-CB 3.17Å; E68-S71 PolarHBondContact O-N 2.97Å; E69-S71 VanDerWaalsContact C-N 3.34Å; E69-S71 PolarHBondContact O-N 3.29Å; S71-R75 WeakPolarHBondContact O-CG 3.49Å; S71-R75 PolarHBondContact O-N 2.98Å; S71-R75 VanDerWaalsContact O-N 3.13Å; S71-R75 PolarHBondContact O-NE 3.28Å; S71-R75 VanDerWaalsContact O-NE 3.12Å |
| 72 | H | 91.1 | Very high | 85.9 | Confident | 117 Ų | 117 | 85.6 Ų | 85.6 | 54% | 0.542 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -73.8 | -41 | 175.7 | -173.9 | 43.9 | 0 | 0 | 0 | 111.8 | E68 E69 K70 I74 R75 K76 | E68-H72 WeakPolarHBondContact O-CB 3.4Å; E68-H72 PolarHBondContact O-N 3.49Å; E69-H72 PolarHBondContact O-N 3.18Å; E69-H72 VanDerWaalsContact O-N 3.14Å; K70-H72 VanDerWaalsContact C-N 3.27Å; K70-H72 PolarHBondContact O-N 3.48Å; H72-I74 PolarHBondContact O-N 3.49Å; H72-R75 PolarHBondContact O-N 3.02Å; H72-K76 PolarHBondContact O-N 2.93Å |
| 73 | M | 91.6 | Very high | 87.5 | Confident | 138 Ų | 138 | 81.8 Ų | 81.8 | 68% | 0.68 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.7 | -43.9 | 172.9 | -70.1 | -179.8 | 63.9 | 0 | 0 | 112.2 | E69 K70 K76 S77 | E69-M73 WeakPolarHBondContact O-CG 3.19Å; E69-M73 PolarHBondContact O-N 3.11Å; K70-M73 PolarHBondContact O-N 3.34Å; M73-K76 PolarHBondContact O-N 3.47Å; M73-S77 PolarHBondContact O-N 3.47Å |
| 74 | I | 92.3 | Very high | 88.9 | Confident | 29 Ų | 29 | 76.4 Ų | 76.4 | 15% | 0.149 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 177.5 | -63.9 | -67.1 | 0 | 0 | 0 | 111.4 | H44 I47 L48 L51 K70 H72 S77 L78 | H44-I74 HydrophobicContact CB-CG2 4.27Å; H44-I74 WeakPolarHBondContact O-CG2 3.06Å; I47-I74 HydrophobicContact CG2-CD1 4.01Å; I47-I74 HydrophobicContact CG2-CG1 4.07Å; L48-I74 HydrophobicContact CB-CG2 3.82Å; L48-I74 HydrophobicContact CD1-CG2 4.43Å; L51-I74 HydrophobicContact CD1-CG1 4.07Å; K70-I74 WeakPolarHBondContact O-CG1 3.39Å; K70-I74 PolarHBondContact O-N 3.16Å; H72-I74 PolarHBondContact O-N 3.49Å; I74-S77 WeakPolarHBondContact O-CB 3.47Å; I74-S77 PolarHBondContact O-N 2.88Å; I74-L78 HydrophobicContact CG2-CD1 4.35Å; I74-L78 PolarHBondContact O-N 3.3Å |
| 75 | R | 91.6 | Very high | 89.8 | Confident | 105 Ų | 105 | 76.8 Ų | 76.8 | 40% | 0.396 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58 | -48.1 | 172.6 | -86 | 177.1 | -86.1 | 147 | -9.8 | 112.4 | L48 S71 H72 S77 L78 E79 | L48-R75 HydrophobicContact CD1-CG 4.02Å; L48-R75 HydrophobicContact CD2-CG 3.65Å; S71-R75 WeakPolarHBondContact O-CG 3.49Å; S71-R75 PolarHBondContact O-N 2.98Å; S71-R75 VanDerWaalsContact O-N 3.13Å; S71-R75 PolarHBondContact O-NE 3.28Å; S71-R75 VanDerWaalsContact O-NE 3.12Å; H72-R75 PolarHBondContact O-N 3.02Å; R75-S77 VanDerWaalsContact C-N 3.26Å; R75-S77 PolarHBondContact O-N 3.28Å; R75-L78 WeakPolarHBondContact O-CB 3.47Å; R75-L78 PolarHBondContact O-N 3.38Å; R75-L78 VanDerWaalsContact O-N 3.1Å; R75-E79 PolarHBondContact O-N 3.47Å |
| 76 | K | 93.8 | Very high | 90.5 | Very high | 134 Ų | 134 | 75.7 Ų | 75.7 | 58% | 0.583 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61.3 | -34.9 | 175.7 | -172.2 | 174.9 | -178.2 | 177.3 | 0 | 112.4 | H72 M73 M80 | H72-K76 PolarHBondContact O-N 2.93Å; M73-K76 PolarHBondContact O-N 3.47Å; K76-M80 WeakPolarHBondContact O-CG 3.47Å; K76-M80 PolarHBondContact O-N 2.68Å |
| 77 | S | 93.9 | Very high | 91.1 | Very high | 41 Ų | 41 | 77.6 Ų | 77.6 | 29% | 0.287 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 174.1 | -162.8 | 0 | 0 | 0 | 0 | 112.3 | H44 M73 I74 R75 M80 L81 | H44-S77 PolarHBondContact CE1-OG 3.41Å; H44-S77 PolarHBondContact ND1-OG 2.66Å; M73-S77 PolarHBondContact O-N 3.47Å; I74-S77 WeakPolarHBondContact O-CB 3.47Å; I74-S77 PolarHBondContact O-N 2.88Å; R75-S77 VanDerWaalsContact C-N 3.26Å; R75-S77 PolarHBondContact O-N 3.28Å; S77-M80 PolarHBondContact O-N 3.26Å; S77-L81 VanDerWaalsContact O-CG 3.28Å; S77-L81 WeakPolarHBondContact O-CG 3.29Å; S77-L81 PolarHBondContact O-N 3.43Å |
| 78 | L | 93.3 | Very high | 91.6 | Very high | 15 Ų | 15 | 77 Ų | 77 | 8% | 0.079 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 175.4 | -75.2 | 165.6 | 0 | 0 | 0 | 111.8 | K41 H44 L48 I74 R75 M80 L81 E82 | K41-L78 HydrophobicContact CG-CD2 3.8Å; K41-L78 WeakPolarHBondContact O-CD2 3.31Å; H44-L78 HydrophobicContact CB-CD2 3.6Å; H44-L78 HydrophobicContact CB-CG 3.95Å; L48-L78 HydrophobicContact CB-CD1 4.48Å; L48-L78 HydrophobicContact CD2-CD1 3.76Å; I74-L78 HydrophobicContact CG2-CD1 4.35Å; I74-L78 PolarHBondContact O-N 3.3Å; R75-L78 WeakPolarHBondContact O-CB 3.47Å; R75-L78 PolarHBondContact O-N 3.38Å; R75-L78 VanDerWaalsContact O-N 3.1Å; L78-M80 VanDerWaalsContact C-N 3.3Å; L78-M80 PolarHBondContact O-N 3.24Å; L78-L81 PolarHBondContact O-N 3.02Å; L78-L81 VanDerWaalsContact O-N 3.14Å; L78-E82 WeakPolarHBondContact O-CG 3.31Å; L78-E82 PolarHBondContact O-N 2.9Å |
| 79 | E | 94 | Very high | 92.1 | Very high | 121 Ų | 121 | 77 Ų | 77 | 57% | 0.565 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -56.3 | -43.7 | 174.8 | -70.2 | 167.1 | -171.3 | 0 | 0 | 111.7 | R75 E82 L83 | R75-E79 PolarHBondContact O-N 3.47Å; E79-E82 PolarHBondContact O-N 2.97Å; E79-L83 WeakPolarHBondContact O-CG 3.34Å; E79-L83 PolarHBondContact O-N 3.2Å |
| 80 | M | 93.8 | Very high | 92.4 | Very high | 125 Ų | 125 | 76 Ų | 76 | 62% | 0.616 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.3 | -36.9 | 176.6 | -67.1 | -62.7 | -57.5 | 0 | 0 | 113 | K76 S77 L78 L83 G84 | K76-M80 WeakPolarHBondContact O-CG 3.47Å; K76-M80 PolarHBondContact O-N 2.68Å; S77-M80 PolarHBondContact O-N 3.26Å; L78-M80 VanDerWaalsContact C-N 3.3Å; L78-M80 PolarHBondContact O-N 3.24Å; M80-L83 HydrophobicContact SD-CD1 4.47Å; M80-G84 PolarHBondContact O-N 2.65Å; M80-G84 VanDerWaalsContact O-N 3.09Å |
| 81 | L | 94.1 | Very high | 92.5 | Very high | 17 Ų | 17 | 75.7 Ų | 75.7 | 9% | 0.089 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.6 | -38 | 176 | -67.5 | 169.6 | 0 | 0 | 0 | 111.7 | L37 L40 K41 H44 S77 L78 G84 L85 | L37-L81 HydrophobicContact CD2-CD2 3.58Å; L40-L81 HydrophobicContact CD2-CD1 4.4Å; L40-L81 HydrophobicContact CD2-CD2 3.8Å; L40-L81 HydrophobicContact CG-CD1 4.05Å; L40-L81 HydrophobicContact CG-CD2 4.26Å; K41-L81 HydrophobicContact CB-CD1 4.41Å; H44-L81 HydrophobicContact CB-CD1 4.49Å; S77-L81 VanDerWaalsContact O-CG 3.28Å; S77-L81 WeakPolarHBondContact O-CG 3.29Å; S77-L81 PolarHBondContact O-N 3.43Å; L78-L81 PolarHBondContact O-N 3.02Å; L78-L81 VanDerWaalsContact O-N 3.14Å; L81-G84 PolarHBondContact O-N 3.48Å; L81-L85 WeakPolarHBondContact O-CB 3.39Å; L81-L85 WeakPolarHBondContact O-CG 3.38Å; L81-L85 PolarHBondContact O-N 2.86Å |
| 82 | E | 92.7 | Very high | 92.7 | Very high | 98 Ų | 98 | 77.8 Ų | 77.8 | 46% | 0.458 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 175.3 | -72.5 | -173 | 153.2 | 0 | 0 | 112.4 | K41 L78 E79 L85 S86 | K41-E82 HydrophobicContact CD-CG 4.21Å; K41-E82 WeakPolarHBondContact CE-OE1 3.31Å; K41-E82 IonicContact NZ-OE1 3.94Å; K41-E82 PolarHBondContact NZ-OE1 2.93Å; L78-E82 WeakPolarHBondContact O-CG 3.31Å; L78-E82 PolarHBondContact O-N 2.9Å; E79-E82 PolarHBondContact O-N 2.97Å; E82-L85 PolarHBondContact O-N 3.03Å; E82-S86 WeakPolarHBondContact O-CB 3.43Å; E82-S86 PolarHBondContact O-N 3.02Å |
| 83 | L | 94.1 | Very high | 92.6 | Very high | 97 Ų | 97 | 74.4 Ų | 74.4 | 51% | 0.508 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.1 | -52.2 | 171.7 | -73.1 | 168.3 | 0 | 0 | 0 | 111.2 | E79 M80 L85 S86 E87 | E79-L83 WeakPolarHBondContact O-CG 3.34Å; E79-L83 PolarHBondContact O-N 3.2Å; M80-L83 HydrophobicContact SD-CD1 4.47Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 3.13Å; L83-S86 PolarHBondContact O-N 3.48Å; L83-S86 PolarHBondContact O-OG 3.45Å; L83-E87 PolarHBondContact O-N 3.32Å |
| 84 | G | 92.6 | Very high | 92.6 | Very high | 22 Ų | 22 | 73.7 Ų | 73.7 | 23% | 0.227 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.7 | -36.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | M80 L81 A88 | M80-G84 PolarHBondContact O-N 2.65Å; M80-G84 VanDerWaalsContact O-N 3.09Å; L81-G84 PolarHBondContact O-N 3.48Å; G84-A88 WeakPolarHBondContact O-CB 3.26Å; G84-A88 PolarHBondContact O-N 2.95Å; G84-A88 VanDerWaalsContact O-N 3.11Å |
| 85 | L | 93.1 | Very high | 92.5 | Very high | 17 Ų | 17 | 73.2 Ų | 73.2 | 9% | 0.089 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 171.7 | -77.6 | 168.8 | 0 | 0 | 0 | 112 | M34 L37 E38 K41 L81 E82 L83 E87 A88 Q89 | M34-L85 HydrophobicContact CB-CD2 4.37Å; L37-L85 HydrophobicContact CB-CD1 4.42Å; L37-L85 HydrophobicContact CB-CD2 3.58Å; L37-L85 HydrophobicContact CB-CG 3.82Å; L37-L85 HydrophobicContact CD1-CD2 4.3Å; L37-L85 HydrophobicContact CD1-CG 4.4Å; E38-L85 HydrophobicContact CG-CD1 3.98Å; E38-L85 HydrophobicContact CG-CD2 3.8Å; K41-L85 HydrophobicContact CD-CD1 4Å; L81-L85 WeakPolarHBondContact O-CB 3.39Å; L81-L85 WeakPolarHBondContact O-CG 3.38Å; L81-L85 PolarHBondContact O-N 2.86Å; E82-L85 PolarHBondContact O-N 3.03Å; L83-L85 VanDerWaalsContact C-N 3.32Å; L83-L85 PolarHBondContact O-N 3.13Å; L85-E87 PolarHBondContact O-N 3.46Å; L85-A88 PolarHBondContact O-N 2.95Å; L85-Q89 WeakPolarHBondContact O-CB 3.43Å; L85-Q89 PolarHBondContact O-N 3.4Å |
| 86 | S | 92.6 | Very high | 92.3 | Very high | 60 Ų | 60 | 72.1 Ų | 72.1 | 42% | 0.42 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 178.4 | 77.7 | 0 | 0 | 0 | 0 | 112.5 | E82 L83 Q89 V90 | E82-S86 WeakPolarHBondContact O-CB 3.43Å; E82-S86 PolarHBondContact O-N 3.02Å; L83-S86 PolarHBondContact O-N 3.48Å; L83-S86 PolarHBondContact O-OG 3.45Å; S86-Q89 WeakPolarHBondContact O-CB 3.49Å; S86-Q89 PolarHBondContact O-N 2.96Å; S86-V90 WeakPolarHBondContact O-CG2 3.35Å; S86-V90 PolarHBondContact O-N 3.03Å |
| 87 | E | 93.6 | Very high | 92.2 | Very high | 132 Ų | 132 | 71.9 Ų | 71.9 | 62% | 0.617 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.6 | -45.7 | 174.9 | -70.3 | 178.9 | 172.9 | 0 | 0 | 111.5 | L83 L85 Q89 V90 M91 | L83-E87 PolarHBondContact O-N 3.32Å; L85-E87 PolarHBondContact O-N 3.46Å; E87-Q89 VanDerWaalsContact C-N 3.34Å; E87-Q89 PolarHBondContact O-N 3.36Å; E87-V90 PolarHBondContact O-N 3.16Å; E87-M91 PolarHBondContact O-N 3.36Å |
| 88 | A | 91.4 | Very high | 92 | Very high | 8 Ų | 8 | 73.6 Ų | 73.6 | 7% | 0.066 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.2 | -36.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T30 M34 G84 L85 V90 M91 M92 | T30-A88 HydrophobicContact CG2-CB 4Å; M34-A88 HydrophobicContact CG-CB 3.43Å; M34-A88 VanDerWaalsContact CG-CB 3.43Å; M34-A88 HydrophobicContact SD-CB 3.96Å; G84-A88 WeakPolarHBondContact O-CB 3.26Å; G84-A88 PolarHBondContact O-N 2.95Å; G84-A88 VanDerWaalsContact O-N 3.11Å; L85-A88 PolarHBondContact O-N 2.95Å; A88-V90 VanDerWaalsContact C-N 3.32Å; A88-V90 PolarHBondContact O-N 2.97Å; A88-M91 PolarHBondContact O-N 3.14Å; A88-M92 WeakPolarHBondContact O-CG 3.45Å; A88-M92 PolarHBondContact O-N 2.94Å |
| 89 | Q | 92.2 | Very high | 91.7 | Very high | 115 Ų | 115 | 76.2 Ų | 76.2 | 54% | 0.537 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.9 | -41.7 | 172.6 | -159.7 | 86.9 | 23.1 | 0 | 0 | 111.5 | L85 S86 E87 M92 A93 | L85-Q89 WeakPolarHBondContact O-CB 3.43Å; L85-Q89 PolarHBondContact O-N 3.4Å; S86-Q89 WeakPolarHBondContact O-CB 3.49Å; S86-Q89 PolarHBondContact O-N 2.96Å; E87-Q89 VanDerWaalsContact C-N 3.34Å; E87-Q89 PolarHBondContact O-N 3.36Å; Q89-M92 PolarHBondContact O-N 3.12Å; Q89-A93 PolarHBondContact O-N 3.31Å |
| 90 | V | 92.9 | Very high | 91.4 | Very high | 100 Ų | 100 | 73.2 Ų | 73.2 | 61% | 0.606 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -66.7 | -41.7 | 176.6 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | S86 E87 A88 M92 A93 L94 | S86-V90 WeakPolarHBondContact O-CG2 3.35Å; S86-V90 PolarHBondContact O-N 3.03Å; E87-V90 PolarHBondContact O-N 3.16Å; A88-V90 VanDerWaalsContact C-N 3.32Å; A88-V90 PolarHBondContact O-N 2.97Å; V90-M92 VanDerWaalsContact C-N 3.33Å; V90-M92 PolarHBondContact O-N 3.46Å; V90-A93 PolarHBondContact O-N 2.95Å; V90-L94 WeakPolarHBondContact O-CB 3.23Å; V90-L94 PolarHBondContact O-N 3.34Å |
| 91 | M | 90.8 | Very high | 91.3 | Very high | 98 Ų | 98 | 71.3 Ų | 71.3 | 48% | 0.483 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59 | -43.7 | 174.1 | -69.3 | 179.8 | 66.6 | 0 | 0 | 112 | I26 T30 E87 A88 L94 S95 | I26-M91 HydrophobicContact CG2-CE 4.38Å; T30-M91 HydrophobicContact CG2-CB 4.31Å; E87-M91 PolarHBondContact O-N 3.36Å; A88-M91 PolarHBondContact O-N 3.14Å; M91-L94 PolarHBondContact O-N 3.44Å; M91-S95 PolarHBondContact O-N 3.44Å |
| 92 | M | 90.4 | Very high | 91 | Very high | 45 Ų | 45 | 74.1 Ų | 74.1 | 22% | 0.222 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 176.4 | -77.4 | -59.2 | -51.2 | 0 | 0 | 112.5 | I27 T30 K31 M34 A88 Q89 V90 S95 S96 | I27-M92 HydrophobicContact CG2-CE 3.97Å; I27-M92 HydrophobicContact CG2-SD 3.92Å; T30-M92 HydrophobicContact CG2-CG 4.06Å; T30-M92 HydrophobicContact CG2-SD 4.29Å; K31-M92 HydrophobicContact CD-CE 4.48Å; K31-M92 VanDerWaalsContact CE-CE 3.48Å; K31-M92 HydrophobicContact CG-CE 4.22Å; K31-M92 HydrophobicContact CG-SD 3.93Å; M34-M92 HydrophobicContact SD-CG 3.81Å; A88-M92 WeakPolarHBondContact O-CG 3.45Å; A88-M92 PolarHBondContact O-N 2.94Å; Q89-M92 PolarHBondContact O-N 3.12Å; V90-M92 VanDerWaalsContact C-N 3.33Å; V90-M92 PolarHBondContact O-N 3.46Å; M92-S95 PolarHBondContact O-N 3.47Å; M92-S96 PolarHBondContact O-N 3.29Å |
| 93 | A | 90.9 | Very high | 90.7 | Very high | 46 Ų | 46 | 71.5 Ų | 71.5 | 38% | 0.38 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q89 V90 S95 S96 H97 | Q89-A93 PolarHBondContact O-N 3.31Å; V90-A93 PolarHBondContact O-N 2.95Å; A93-S95 VanDerWaalsContact C-N 3.34Å; A93-S95 PolarHBondContact O-N 2.94Å; A93-S96 PolarHBondContact O-N 2.92Å; A93-H97 PolarHBondContact O-CD2 3.46Å; A93-H97 PolarHBondContact O-N 2.84Å |
| 94 | L | 91.5 | Very high | 90.4 | Very high | 122 Ų | 122 | 72 Ų | 72 | 64% | 0.639 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59.8 | -43.1 | 177.9 | -178 | 64.1 | 0 | 0 | 0 | 111.8 | V90 M91 H97 L98 | V90-L94 WeakPolarHBondContact O-CB 3.23Å; V90-L94 PolarHBondContact O-N 3.34Å; M91-L94 PolarHBondContact O-N 3.44Å; L94-H97 PolarHBondContact O-N 3.16Å; L94-L98 WeakPolarHBondContact O-CB 3.31Å; L94-L98 PolarHBondContact O-N 3.16Å |
| 95 | S | 89.1 | Confident | 90.3 | Very high | 20 Ų | 20 | 75.9 Ų | 75.9 | 14% | 0.14 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -64.5 | -40.4 | 177.6 | -170.2 | 0 | 0 | 0 | 0 | 112.7 | Q23 I27 M91 M92 A93 L98 S99 | Q23-S95 PolarHBondContact NE2-OG 3.06Å; I27-S95 WeakPolarHBondContact CD1-OG 3.35Å; I27-S95 WeakPolarHBondContact CG1-OG 3.39Å; M91-S95 PolarHBondContact O-N 3.44Å; M92-S95 PolarHBondContact O-N 3.47Å; A93-S95 VanDerWaalsContact C-N 3.34Å; A93-S95 PolarHBondContact O-N 2.94Å; S95-L98 PolarHBondContact O-N 3.13Å; S95-S99 PolarHBondContact O-N 3.35Å |
| 96 | S | 88.2 | Confident | 90.2 | Very high | 81 Ų | 81 | 81.2 Ų | 81.2 | 57% | 0.566 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62 | -44.3 | 173.9 | -178.5 | 0 | 0 | 0 | 0 | 112.2 | M92 A93 S99 S100 | M92-S96 PolarHBondContact O-N 3.29Å; A93-S96 PolarHBondContact O-N 2.92Å; S96-S99 PolarHBondContact O-N 3.13Å; S96-S100 PolarHBondContact O-N 2.85Å; S96-S100 VanDerWaalsContact O-N 3.08Å |
| 97 | H | 91.8 | Very high | 90.1 | Very high | 129 Ų | 129 | 84.1 Ų | 84.1 | 60% | 0.597 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.3 | -41.8 | 175 | -75.5 | -58.2 | 0 | 0 | 0 | 112.6 | A93 L94 S100 V101 | A93-H97 PolarHBondContact O-CD2 3.46Å; A93-H97 PolarHBondContact O-N 2.84Å; L94-H97 PolarHBondContact O-N 3.16Å; H97-S100 WeakPolarHBondContact O-CB 3.49Å; H97-S100 PolarHBondContact O-N 3.31Å; H97-V101 WeakPolarHBondContact O-CG2 3.36Å; H97-V101 PolarHBondContact O-N 3.48Å |
| 98 | L | 89.4 | Confident | 89.8 | Confident | 78 Ų | 78 | 82.7 Ų | 82.7 | 41% | 0.408 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 177.1 | -177.9 | 60.4 | 0 | 0 | 0 | 111.2 | L94 S95 S100 V101 E102 | L94-L98 WeakPolarHBondContact O-CB 3.31Å; L94-L98 PolarHBondContact O-N 3.16Å; S95-L98 PolarHBondContact O-N 3.13Å; L98-S100 VanDerWaalsContact C-N 3.32Å; L98-S100 PolarHBondContact O-N 3.28Å; L98-V101 PolarHBondContact O-N 3.38Å; L98-E102 HydrophobicContact CD1-CG 4.44Å; L98-E102 WeakPolarHBondContact O-CG 3.46Å; L98-E102 PolarHBondContact O-N 3.47Å |
| 99 | S | 86.6 | Confident | 89.8 | Confident | 70 Ų | 70 | 89.4 Ų | 89.4 | 49% | 0.49 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.1 | -42 | 176.8 | -176.1 | 0 | 0 | 0 | 0 | 112.5 | S95 S96 E102 S103 | S95-S99 PolarHBondContact O-N 3.35Å; S96-S99 PolarHBondContact O-N 3.13Å; S99-E102 PolarHBondContact O-N 3.05Å; S99-S103 PolarHBondContact O-N 3.33Å |
| 100 | S | 88.6 | Confident | 89.7 | Confident | 58 Ų | 58 | 86 Ų | 86 | 41% | 0.406 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -59.4 | -50.6 | 175 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | S96 H97 L98 E102 S103 E104 | S96-S100 PolarHBondContact O-N 2.85Å; S96-S100 VanDerWaalsContact O-N 3.08Å; H97-S100 WeakPolarHBondContact O-CB 3.49Å; H97-S100 PolarHBondContact O-N 3.31Å; L98-S100 VanDerWaalsContact C-N 3.32Å; L98-S100 PolarHBondContact O-N 3.28Å; S100-E102 VanDerWaalsContact C-N 3.31Å; S100-E102 PolarHBondContact O-N 2.86Å; S100-S103 WeakPolarHBondContact O-CB 3.33Å; S100-S103 PolarHBondContact O-N 2.96Å; S100-S103 VanDerWaalsContact O-N 3.16Å; S100-S103 PolarHBondContact O-OG 3.3Å; S100-E104 PolarHBondContact O-N 2.99Å; S100-E104 VanDerWaalsContact O-N 3.08Å |
| 101 | V | 91.3 | Very high | 89.6 | Confident | 84 Ų | 84 | 86.4 Ų | 86.4 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 179.7 | 170.7 | 0 | 0 | 0 | 0 | 111.7 | H97 L98 E104 K105 | H97-V101 WeakPolarHBondContact O-CG2 3.36Å; H97-V101 PolarHBondContact O-N 3.48Å; L98-V101 PolarHBondContact O-N 3.38Å; V101-E104 PolarHBondContact O-N 2.98Å; V101-K105 VanDerWaalsContact O-CB 3.3Å; V101-K105 WeakPolarHBondContact O-CB 3.4Å; V101-K105 PolarHBondContact O-N 3.39Å |
| 102 | E | 88 | Confident | 89.6 | Confident | 76 Ų | 76 | 85.9 Ų | 85.9 | 36% | 0.355 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66.8 | -39.1 | 174.7 | -71.3 | -167 | 147.5 | 0 | 0 | 112.6 | L98 S99 S100 E104 K105 Q106 | L98-E102 HydrophobicContact CD1-CG 4.44Å; L98-E102 WeakPolarHBondContact O-CG 3.46Å; L98-E102 PolarHBondContact O-N 3.47Å; S99-E102 PolarHBondContact O-N 3.05Å; S100-E102 VanDerWaalsContact C-N 3.31Å; S100-E102 PolarHBondContact O-N 2.86Å; E102-E104 VanDerWaalsContact C-N 3.33Å; E102-E104 PolarHBondContact O-N 3.1Å; E102-K105 WeakPolarHBondContact O-CB 3.3Å; E102-K105 PolarHBondContact O-N 3.48Å; E102-Q106 WeakPolarHBondContact O-CG 3.21Å; E102-Q106 PolarHBondContact O-N 3.19Å |
| 103 | S | 86.4 | Confident | 89.7 | Confident | 44 Ų | 44 | 91 Ų | 91 | 31% | 0.308 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 174.3 | 87.2 | 0 | 0 | 0 | 0 | 112 | S99 S100 Q106 K107 | S99-S103 PolarHBondContact O-N 3.33Å; S100-S103 WeakPolarHBondContact O-CB 3.33Å; S100-S103 PolarHBondContact O-N 2.96Å; S100-S103 VanDerWaalsContact O-N 3.16Å; S100-S103 PolarHBondContact O-OG 3.3Å; S103-Q106 PolarHBondContact O-N 3.14Å; S103-K107 WeakPolarHBondContact O-CG 3.39Å; S103-K107 PolarHBondContact O-N 2.95Å |
| 104 | E | 87.4 | Confident | 89.8 | Confident | 106 Ų | 106 | 96.2 Ų | 96.2 | 50% | 0.495 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.4 | -44.3 | 176 | -69.8 | -176.2 | 167.8 | 0 | 0 | 111.7 | S100 V101 E102 Q106 K107 L108 | S100-E104 PolarHBondContact O-N 2.99Å; S100-E104 VanDerWaalsContact O-N 3.08Å; V101-E104 PolarHBondContact O-N 2.98Å; E102-E104 VanDerWaalsContact C-N 3.33Å; E102-E104 PolarHBondContact O-N 3.1Å; E104-Q106 VanDerWaalsContact C-N 3.27Å; E104-Q106 PolarHBondContact O-N 3.38Å; E104-K107 PolarHBondContact O-N 3.41Å; E104-L108 WeakPolarHBondContact O-CB 3.31Å; E104-L108 WeakPolarHBondContact O-CG 3.36Å; E104-L108 PolarHBondContact O-N 3.43Å |
| 105 | K | 90.6 | Very high | 89.7 | Confident | 104 Ų | 104 | 94.2 Ų | 94.2 | 45% | 0.452 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -56.8 | -38.9 | 172.8 | 176.3 | -176.7 | 176 | -174 | 0 | 111.8 | V101 E102 R109 | V101-K105 VanDerWaalsContact O-CB 3.3Å; V101-K105 WeakPolarHBondContact O-CB 3.4Å; V101-K105 PolarHBondContact O-N 3.39Å; E102-K105 WeakPolarHBondContact O-CB 3.3Å; E102-K105 PolarHBondContact O-N 3.48Å; K105-R109 WeakPolarHBondContact O-CB 3.4Å; K105-R109 VanDerWaalsContact O-CG 3.24Å; K105-R109 WeakPolarHBondContact O-CG 2.99Å; K105-R109 PolarHBondContact O-N 2.87Å |
| 106 | Q | 90.6 | Very high | 89.8 | Confident | 130 Ų | 130 | 97.2 Ų | 97.2 | 61% | 0.607 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.7 | -44.9 | 174.5 | -71.3 | 179.5 | 19.8 | 0 | 0 | 112.4 | E102 S103 E104 R109 A110 | E102-Q106 WeakPolarHBondContact O-CG 3.21Å; E102-Q106 PolarHBondContact O-N 3.19Å; S103-Q106 PolarHBondContact O-N 3.14Å; E104-Q106 VanDerWaalsContact C-N 3.27Å; E104-Q106 PolarHBondContact O-N 3.38Å; Q106-R109 PolarHBondContact O-N 2.9Å; Q106-A110 PolarHBondContact O-N 3.03Å |
| 107 | K | 89.4 | Confident | 90.1 | Very high | 120 Ų | 120 | 100 Ų | 100 | 52% | 0.522 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58 | -47.9 | 175.2 | -72.1 | 166.3 | -178.1 | 171.1 | 0 | 111.7 | S103 E104 R109 A110 Q111 | S103-K107 WeakPolarHBondContact O-CG 3.39Å; S103-K107 PolarHBondContact O-N 2.95Å; E104-K107 PolarHBondContact O-N 3.41Å; K107-R109 PolarHBondContact O-N 3.16Å; K107-A110 WeakPolarHBondContact O-CB 3.17Å; K107-A110 PolarHBondContact O-N 3.28Å; K107-A110 VanDerWaalsContact O-N 3.17Å; K107-Q111 PolarHBondContact O-N 3.1Å |
| 108 | L | 88.8 | Confident | 90.2 | Very high | 103 Ų | 103 | 97.3 Ų | 97.3 | 54% | 0.539 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 176.7 | -70.8 | 171.6 | 0 | 0 | 0 | 112 | E104 A110 Q111 V112 | E104-L108 WeakPolarHBondContact O-CB 3.31Å; E104-L108 WeakPolarHBondContact O-CG 3.36Å; E104-L108 PolarHBondContact O-N 3.43Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 3.25Å; L108-Q111 PolarHBondContact O-N 3.34Å; L108-V112 WeakPolarHBondContact O-CG2 3.22Å; L108-V112 PolarHBondContact O-N 2.89Å |
| 109 | R | 90.8 | Very high | 90.3 | Very high | 148 Ų | 148 | 97.6 Ų | 97.6 | 56% | 0.558 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.3 | -37.5 | 173.8 | -79.1 | 171 | 167.4 | -174 | -6.5 | 112.5 | K105 Q106 K107 R113 | K105-R109 WeakPolarHBondContact O-CB 3.4Å; K105-R109 VanDerWaalsContact O-CG 3.24Å; K105-R109 WeakPolarHBondContact O-CG 2.99Å; K105-R109 PolarHBondContact O-N 2.87Å; Q106-R109 PolarHBondContact O-N 2.9Å; K107-R109 PolarHBondContact O-N 3.16Å; R109-R113 WeakPolarHBondContact O-CG 3.46Å; R109-R113 PolarHBondContact O-N 3.48Å |
| 110 | A | 89.4 | Confident | 90.7 | Very high | 43 Ų | 43 | 98.6 Ų | 98.6 | 36% | 0.355 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68 | -43 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q106 K107 L108 V112 R113 R114 | Q106-A110 PolarHBondContact O-N 3.03Å; K107-A110 WeakPolarHBondContact O-CB 3.17Å; K107-A110 PolarHBondContact O-N 3.28Å; K107-A110 VanDerWaalsContact O-N 3.17Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 3.25Å; A110-V112 PolarHBondContact O-N 3.38Å; A110-R113 PolarHBondContact O-N 2.88Å; A110-R114 PolarHBondContact O-N 3.49Å |
| 111 | Q | 92 | Very high | 91 | Very high | 110 Ų | 110 | 103.4 Ų | 103.4 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 175.4 | -172.2 | 179.7 | 8.5 | 0 | 0 | 112.1 | K107 L108 R114 L115 | K107-Q111 PolarHBondContact O-N 3.1Å; L108-Q111 PolarHBondContact O-N 3.34Å; Q111-R114 PolarHBondContact O-N 3.31Å; Q111-L115 HydrophobicContact CG-CD1 4.18Å; Q111-L115 WeakPolarHBondContact O-CG 3.38Å; Q111-L115 PolarHBondContact O-N 3.32Å |
| 112 | V | 90.6 | Very high | 91.2 | Very high | 87 Ų | 87 | 104.1 Ų | 104.1 | 53% | 0.527 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 175.5 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | L108 A110 R114 L115 C116 | L108-V112 WeakPolarHBondContact O-CG2 3.22Å; L108-V112 PolarHBondContact O-N 2.89Å; A110-V112 PolarHBondContact O-N 3.38Å; V112-R114 VanDerWaalsContact C-N 3.33Å; V112-R114 PolarHBondContact O-N 2.98Å; V112-L115 PolarHBondContact O-N 3.41Å; V112-C116 PolarHBondContact O-N 3.22Å; V112-C116 PolarHBondContact O-SG 2.99Å; V112-C116 VanDerWaalsContact O-SG 3.32Å |
| 113 | R | 92.6 | Very high | 91.5 | Very high | 151 Ų | 151 | 108.1 Ų | 108.1 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.5 | -44.6 | 175.7 | -73.6 | -171.6 | -61 | -94.3 | 4.8 | 112.1 | R109 A110 C116 Q117 | R109-R113 WeakPolarHBondContact O-CG 3.46Å; R109-R113 PolarHBondContact O-N 3.48Å; A110-R113 PolarHBondContact O-N 2.88Å; R113-C116 PolarHBondContact O-N 3.2Å; R113-Q117 WeakPolarHBondContact O-CG 3.34Å; R113-Q117 PolarHBondContact O-N 3.48Å; R113-Q117 VanDerWaalsContact O-N 3.08Å |
| 114 | R | 92.8 | Very high | 91.9 | Very high | 157 Ų | 157 | 110.3 Ų | 110.3 | 59% | 0.592 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.4 | -47 | 176.5 | 178.9 | -179.3 | 167.1 | 163.7 | 4.2 | 111.9 | A110 Q111 V112 C116 Q117 E118 | A110-R114 PolarHBondContact O-N 3.49Å; Q111-R114 PolarHBondContact O-N 3.31Å; V112-R114 VanDerWaalsContact C-N 3.33Å; V112-R114 PolarHBondContact O-N 2.98Å; R114-C116 VanDerWaalsContact C-N 3.3Å; R114-C116 PolarHBondContact O-N 2.84Å; R114-Q117 WeakPolarHBondContact O-CB 3.4Å; R114-Q117 PolarHBondContact O-N 3.15Å; R114-Q117 VanDerWaalsContact O-N 3.13Å; R114-E118 HydrophobicContact CG-CG 4.46Å; R114-E118 IonicContact CZ-OE1 2.66Å; R114-E118 VanDerWaalsContact CZ-OE1 3.26Å; R114-E118 IonicContact NE-OE1 2.61Å; R114-E118 PolarHBondContact NE-OE1 3.17Å; R114-E118 IonicContact NH2-OE1 2.69Å; R114-E118 PolarHBondContact NH2-OE1 2.82Å; R114-E118 PolarHBondContact O-N 3.42Å |
| 115 | L | 88.4 | Confident | 92.3 | Very high | 80 Ų | 80 | 109.1 Ų | 109.1 | 42% | 0.419 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -35.8 | 177.9 | -72.6 | 171.5 | 0 | 0 | 0 | 112.2 | Q111 V112 N119 | Q111-L115 HydrophobicContact CG-CD1 4.18Å; Q111-L115 WeakPolarHBondContact O-CG 3.38Å; Q111-L115 PolarHBondContact O-N 3.32Å; V112-L115 PolarHBondContact O-N 3.41Å; L115-N119 WeakPolarHBondContact O-CB 3.38Å; L115-N119 PolarHBondContact O-N 3.21Å; L115-N119 PolarHBondContact O-ND2 3.33Å |
| 116 | C | 92.4 | Very high | 92.5 | Very high | 82 Ų | 82 | 108.8 Ų | 108.8 | 55% | 0.554 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.6 | -40.4 | 172.8 | -69.7 | 0 | 0 | 0 | 0 | 112.3 | V112 R113 R114 N119 Q120 | V112-C116 PolarHBondContact O-N 3.22Å; V112-C116 PolarHBondContact O-SG 2.99Å; V112-C116 VanDerWaalsContact O-SG 3.32Å; R113-C116 PolarHBondContact O-N 3.2Å; R114-C116 VanDerWaalsContact C-N 3.3Å; R114-C116 PolarHBondContact O-N 2.84Å; C116-N119 PolarHBondContact O-N 3.09Å; C116-Q120 PolarHBondContact O-N 2.88Å |
| 117 | Q | 94.8 | Very high | 92.7 | Very high | 139 Ų | 139 | 105.1 Ų | 105.1 | 65% | 0.65 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66 | -45.4 | 175.4 | -70.7 | 169.6 | -18.5 | 0 | 0 | 112 | R113 R114 N119 Q120 W121 | R113-Q117 WeakPolarHBondContact O-CG 3.34Å; R113-Q117 PolarHBondContact O-N 3.48Å; R113-Q117 VanDerWaalsContact O-N 3.08Å; R114-Q117 WeakPolarHBondContact O-CB 3.4Å; R114-Q117 PolarHBondContact O-N 3.15Å; R114-Q117 VanDerWaalsContact O-N 3.13Å; Q117-N119 VanDerWaalsContact C-N 3.34Å; Q117-N119 PolarHBondContact O-N 2.98Å; Q117-Q120 PolarHBondContact O-N 3.46Å; Q117-W121 PolarHBondContact O-N 3.35Å |
| 118 | E | 93.3 | Very high | 93 | Very high | 73 Ų | 73 | 100.5 Ų | 100.5 | 34% | 0.341 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 175.8 | -71.3 | 176.9 | 179.8 | 0 | 0 | 111.4 | R114 W121 L122 | R114-E118 HydrophobicContact CG-CG 4.46Å; R114-E118 IonicContact CZ-OE1 2.66Å; R114-E118 VanDerWaalsContact CZ-OE1 3.26Å; R114-E118 IonicContact NE-OE1 2.61Å; R114-E118 PolarHBondContact NE-OE1 3.17Å; R114-E118 IonicContact NH2-OE1 2.69Å; R114-E118 PolarHBondContact NH2-OE1 2.82Å; R114-E118 PolarHBondContact O-N 3.42Å; E118-W121 PolarHBondContact O-N 3.47Å; E118-L122 WeakPolarHBondContact O-CB 3.35Å; E118-L122 VanDerWaalsContact O-CG 3.29Å; E118-L122 WeakPolarHBondContact O-CG 3.17Å; E118-L122 PolarHBondContact O-N 3.18Å |
| 119 | N | 92.4 | Very high | 93.2 | Very high | 85 Ų | 85 | 98.6 Ų | 98.6 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.9 | -35.4 | 174.3 | -87.4 | -87.1 | 0 | 0 | 0 | 113.2 | L115 C116 Q117 R123 | L115-N119 WeakPolarHBondContact O-CB 3.38Å; L115-N119 PolarHBondContact O-N 3.21Å; L115-N119 PolarHBondContact O-ND2 3.33Å; C116-N119 PolarHBondContact O-N 3.09Å; Q117-N119 VanDerWaalsContact C-N 3.34Å; Q117-N119 PolarHBondContact O-N 2.98Å; N119-R123 WeakPolarHBondContact O-CG 3.35Å; N119-R123 PolarHBondContact O-N 3.05Å |
| 120 | Q | 94.4 | Very high | 93.4 | Very high | 90 Ų | 90 | 97 Ų | 97 | 42% | 0.421 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67 | -49.3 | 175.3 | -177 | 54.8 | 41.3 | 0 | 0 | 110.4 | C116 Q117 L122 R123 D124 | C116-Q120 PolarHBondContact O-N 2.88Å; Q117-Q120 PolarHBondContact O-N 3.46Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.34Å; Q120-R123 WeakPolarHBondContact O-CB 3.41Å; Q120-R123 PolarHBondContact O-N 2.89Å; Q120-D124 VanDerWaalsContact NE2-CG 3.34Å; Q120-D124 PolarHBondContact NE2-OD1 3.3Å; Q120-D124 PolarHBondContact NE2-OD2 2.95Å; Q120-D124 VanDerWaalsContact NE2-OD2 3.09Å; Q120-D124 PolarHBondContact O-N 3.23Å |
| 121 | W | 95.6 | Very high | 93.8 | Very high | 159 Ų | 159 | 100 Ų | 100 | 60% | 0.602 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.3 | -42 | 177 | -179.2 | 78.2 | 0 | 0 | 0 | 112.7 | Q117 E118 R123 D124 E125 | Q117-W121 PolarHBondContact O-N 3.35Å; E118-W121 PolarHBondContact O-N 3.47Å; W121-R123 VanDerWaalsContact C-N 3.31Å; W121-R123 PolarHBondContact O-N 3.28Å; W121-D124 PolarHBondContact O-N 2.91Å; W121-E125 PolarHBondContact O-N 3.41Å |
| 122 | L | 93.5 | Very high | 93.9 | Very high | 100 Ų | 100 | 101.1 Ų | 101.1 | 52% | 0.524 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -32.6 | 175.4 | -74.3 | 171.3 | 0 | 0 | 0 | 113.4 | E118 Q120 L126 | E118-L122 WeakPolarHBondContact O-CB 3.35Å; E118-L122 VanDerWaalsContact O-CG 3.29Å; E118-L122 WeakPolarHBondContact O-CG 3.17Å; E118-L122 PolarHBondContact O-N 3.18Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 3.34Å; L122-L126 VanDerWaalsContact O-CB 3.25Å; L122-L126 WeakPolarHBondContact O-CB 3.4Å; L122-L126 PolarHBondContact O-N 2.71Å |
| 123 | R | 95.1 | Very high | 94.1 | Very high | 160 Ų | 160 | 101.5 Ų | 101.5 | 60% | 0.604 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -71.2 | -39.5 | 174.2 | -72.2 | 168.6 | 178.8 | 171.3 | 0.1 | 111.5 | N119 Q120 W121 L126 A127 | N119-R123 WeakPolarHBondContact O-CG 3.35Å; N119-R123 PolarHBondContact O-N 3.05Å; Q120-R123 WeakPolarHBondContact O-CB 3.41Å; Q120-R123 PolarHBondContact O-N 2.89Å; W121-R123 VanDerWaalsContact C-N 3.31Å; W121-R123 PolarHBondContact O-N 3.28Å; R123-L126 PolarHBondContact O-N 2.95Å; R123-A127 WeakPolarHBondContact O-CB 3.33Å; R123-A127 PolarHBondContact O-N 3.4Å |
| 124 | D | 95.7 | Very high | 94.3 | Very high | 89 Ų | 89 | 99.6 Ų | 99.6 | 48% | 0.476 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.5 | -41.2 | 179.7 | -60.5 | -30.5 | 0 | 0 | 0 | 111 | Q120 W121 A127 G128 | Q120-D124 VanDerWaalsContact NE2-CG 3.34Å; Q120-D124 PolarHBondContact NE2-OD1 3.3Å; Q120-D124 PolarHBondContact NE2-OD2 2.95Å; Q120-D124 VanDerWaalsContact NE2-OD2 3.09Å; Q120-D124 PolarHBondContact O-N 3.23Å; W121-D124 PolarHBondContact O-N 2.91Å; D124-A127 PolarHBondContact O-N 2.88Å; D124-G128 PolarHBondContact O-N 2.98Å |
| 125 | E | 96.1 | Very high | 94.4 | Very high | 82 Ų | 82 | 97.9 Ų | 97.9 | 38% | 0.383 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.9 | -37.2 | 173.4 | -168.8 | 60.8 | -135.2 | 0 | 0 | 112.2 | W121 G128 T129 | W121-E125 PolarHBondContact O-N 3.41Å; E125-G128 PolarHBondContact O-N 2.73Å; E125-T129 WeakPolarHBondContact O-CG2 3.42Å; E125-T129 PolarHBondContact O-N 2.89Å; E125-T129 PolarHBondContact O-OG1 3.12Å |
| 126 | L | 92.9 | Very high | 94.7 | Very high | 97 Ų | 97 | 96.9 Ų | 96.9 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 172.5 | -178.8 | 63.2 | 0 | 0 | 0 | 111.6 | L122 R123 T129 Q130 | L122-L126 VanDerWaalsContact O-CB 3.25Å; L122-L126 WeakPolarHBondContact O-CB 3.4Å; L122-L126 PolarHBondContact O-N 2.71Å; R123-L126 PolarHBondContact O-N 2.95Å; L126-T129 WeakPolarHBondContact CA-OG1 3.48Å; L126-T129 PolarHBondContact O-N 3.47Å; L126-T129 PolarHBondContact O-OG1 2.71Å; L126-Q130 WeakPolarHBondContact O-CB 3.37Å; L126-Q130 VanDerWaalsContact O-CG 3.26Å; L126-Q130 WeakPolarHBondContact O-CG 3.16Å; L126-Q130 PolarHBondContact O-N 3.13Å |
| 127 | A | 95.4 | Very high | 94.8 | Very high | 52 Ų | 52 | 98.3 Ų | 98.3 | 43% | 0.43 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R123 D124 Q130 Q131 | R123-A127 WeakPolarHBondContact O-CB 3.33Å; R123-A127 PolarHBondContact O-N 3.4Å; D124-A127 PolarHBondContact O-N 2.88Å; A127-Q130 PolarHBondContact O-N 3.42Å; A127-Q131 PolarHBondContact O-N 2.9Å |
| 128 | G | 96.5 | Very high | 94.8 | Very high | 23 Ų | 23 | 96.9 Ų | 96.9 | 24% | 0.237 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D124 E125 Q131 K132 | D124-G128 PolarHBondContact O-N 2.98Å; E125-G128 PolarHBondContact O-N 2.73Å; G128-Q131 PolarHBondContact O-N 2.92Å; G128-K132 WeakPolarHBondContact O-CG 3.25Å; G128-K132 PolarHBondContact O-N 2.66Å; G128-K132 VanDerWaalsContact O-N 3.11Å |
| 129 | T | 93.2 | Very high | 94.9 | Very high | 64 Ų | 64 | 96.1 Ų | 96.1 | 39% | 0.393 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.1 | -40 | 175.5 | 49.5 | 0 | 0 | 0 | 0 | 112.4 | E125 L126 Q131 K132 L133 | E125-T129 WeakPolarHBondContact O-CG2 3.42Å; E125-T129 PolarHBondContact O-N 2.89Å; E125-T129 PolarHBondContact O-OG1 3.12Å; L126-T129 WeakPolarHBondContact CA-OG1 3.48Å; L126-T129 PolarHBondContact O-N 3.47Å; L126-T129 PolarHBondContact O-OG1 2.71Å; T129-Q131 VanDerWaalsContact C-N 3.35Å; T129-Q131 PolarHBondContact O-N 3Å; T129-K132 PolarHBondContact O-N 3.37Å; T129-L133 PolarHBondContact O-N 2.89Å |
| 130 | Q | 94.9 | Very high | 95.1 | Very high | 114 Ų | 114 | 96 Ų | 96 | 53% | 0.533 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 172.3 | -74.6 | 174 | -5.4 | 0 | 0 | 112.2 | L126 A127 K132 L133 Q134 | L126-Q130 WeakPolarHBondContact O-CB 3.37Å; L126-Q130 VanDerWaalsContact O-CG 3.26Å; L126-Q130 WeakPolarHBondContact O-CG 3.16Å; L126-Q130 PolarHBondContact O-N 3.13Å; A127-Q130 PolarHBondContact O-N 3.42Å; Q130-K132 PolarHBondContact O-N 3Å; Q130-L133 PolarHBondContact O-N 2.95Å; Q130-Q134 PolarHBondContact O-N 3.2Å |
| 131 | Q | 96.8 | Very high | 95 | Very high | 107 Ų | 107 | 94 Ų | 94 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.8 | -37.3 | 176.4 | -163.4 | -168.6 | 43.2 | 0 | 0 | 112.4 | A127 G128 T129 K135 | A127-Q131 PolarHBondContact O-N 2.9Å; G128-Q131 PolarHBondContact O-N 2.92Å; T129-Q131 VanDerWaalsContact C-N 3.35Å; T129-Q131 PolarHBondContact O-N 3Å; Q131-K135 WeakPolarHBondContact O-CG 3.38Å; Q131-K135 PolarHBondContact O-N 3.44Å; Q131-K135 VanDerWaalsContact O-N 3.12Å |
| 132 | K | 95.5 | Very high | 95 | Very high | 133 Ų | 133 | 92.1 Ų | 92.1 | 58% | 0.578 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 173.9 | -71.7 | 166.9 | -174.6 | 168.1 | 0 | 111.2 | G128 T129 Q130 K135 S136 | G128-K132 WeakPolarHBondContact O-CG 3.25Å; G128-K132 PolarHBondContact O-N 2.66Å; G128-K132 VanDerWaalsContact O-N 3.11Å; T129-K132 PolarHBondContact O-N 3.37Å; Q130-K132 PolarHBondContact O-N 3Å; K132-K135 PolarHBondContact O-N 3.21Å; K132-S136 PolarHBondContact O-N 2.98Å |
| 133 | L | 94.3 | Very high | 95 | Very high | 94 Ų | 94 | 92.1 Ų | 92.1 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.3 | -52.5 | 175.3 | 178.7 | 62.6 | 0 | 0 | 0 | 110.9 | T129 Q130 K135 S136 E137 | T129-L133 PolarHBondContact O-N 2.89Å; Q130-L133 PolarHBondContact O-N 2.95Å; L133-K135 VanDerWaalsContact C-N 3.28Å; L133-K135 PolarHBondContact O-N 2.91Å; L133-S136 WeakPolarHBondContact O-CA 3.34Å; L133-S136 PolarHBondContact O-N 3.31Å; L133-S136 PolarHBondContact O-OG 3.5Å; L133-E137 HydrophobicContact CD1-CG 4.3Å; L133-E137 HydrophobicContact CG-CG 4.42Å; L133-E137 WeakPolarHBondContact O-CG 3.26Å; L133-E137 PolarHBondContact O-N 3Å |
| 134 | Q | 95.8 | Very high | 95 | Very high | 111 Ų | 111 | 89.1 Ų | 89.1 | 52% | 0.519 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.3 | -38.9 | 179.4 | -170 | -178.2 | 25.3 | 0 | 0 | 112.8 | Q130 E137 Q138 | Q130-Q134 PolarHBondContact O-N 3.2Å; Q134-E137 PolarHBondContact O-N 3.01Å; Q134-Q138 VanDerWaalsContact O-CG 3.29Å; Q134-Q138 WeakPolarHBondContact O-CG 3.38Å; Q134-Q138 PolarHBondContact O-N 3.23Å |
| 135 | K | 95.7 | Very high | 95 | Very high | 122 Ų | 122 | 91.3 Ų | 91.3 | 53% | 0.53 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.8 | -39.5 | 174 | -74.8 | 173.8 | 177.7 | 176 | 0 | 112.4 | Q131 K132 L133 Q138 S139 | Q131-K135 WeakPolarHBondContact O-CG 3.38Å; Q131-K135 PolarHBondContact O-N 3.44Å; Q131-K135 VanDerWaalsContact O-N 3.12Å; K132-K135 PolarHBondContact O-N 3.21Å; L133-K135 VanDerWaalsContact C-N 3.28Å; L133-K135 PolarHBondContact O-N 2.91Å; K135-Q138 PolarHBondContact O-N 3.38Å; K135-S139 PolarHBondContact O-N 3.3Å |
| 136 | S | 93.9 | Very high | 94.9 | Very high | 59 Ų | 59 | 93 Ų | 93 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 175.6 | 69.8 | 0 | 0 | 0 | 0 | 112.2 | K132 L133 Q138 S139 V140 | K132-S136 PolarHBondContact O-N 2.98Å; L133-S136 WeakPolarHBondContact O-CA 3.34Å; L133-S136 PolarHBondContact O-N 3.31Å; L133-S136 PolarHBondContact O-OG 3.5Å; S136-Q138 PolarHBondContact O-N 3.44Å; S136-S139 PolarHBondContact O-N 3Å; S136-V140 WeakPolarHBondContact O-CG2 3.29Å; S136-V140 PolarHBondContact O-N 3.32Å |
| 137 | E | 94.7 | Very high | 94.9 | Very high | 111 Ų | 111 | 94.4 Ų | 94.4 | 52% | 0.519 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -42.6 | 174.8 | -69.2 | 171.8 | 161.9 | 0 | 0 | 111.5 | L133 Q134 V140 A141 | L133-E137 HydrophobicContact CD1-CG 4.3Å; L133-E137 HydrophobicContact CG-CG 4.42Å; L133-E137 WeakPolarHBondContact O-CG 3.26Å; L133-E137 PolarHBondContact O-N 3Å; Q134-E137 PolarHBondContact O-N 3.01Å; E137-V140 PolarHBondContact O-N 3.14Å; E137-A141 WeakPolarHBondContact O-CB 3.46Å; E137-A141 PolarHBondContact O-N 3.44Å |
| 138 | Q | 95.6 | Very high | 94.9 | Very high | 110 Ų | 110 | 97.2 Ų | 97.2 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 173.6 | -74.2 | 170.9 | -3.8 | 0 | 0 | 112.3 | Q134 K135 S136 A141 Q142 | Q134-Q138 VanDerWaalsContact O-CG 3.29Å; Q134-Q138 WeakPolarHBondContact O-CG 3.38Å; Q134-Q138 PolarHBondContact O-N 3.23Å; K135-Q138 PolarHBondContact O-N 3.38Å; S136-Q138 PolarHBondContact O-N 3.44Å; Q138-A141 PolarHBondContact O-N 2.86Å; Q138-Q142 WeakPolarHBondContact O-CG 3.38Å; Q138-Q142 PolarHBondContact O-N 2.93Å |
| 139 | S | 95.5 | Very high | 94.7 | Very high | 57 Ų | 57 | 101.6 Ų | 101.6 | 40% | 0.399 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 177.2 | -179.6 | 0 | 0 | 0 | 0 | 112.4 | K135 S136 Q142 L143 | K135-S139 PolarHBondContact O-N 3.3Å; S136-S139 PolarHBondContact O-N 3Å; S139-Q142 PolarHBondContact O-N 3.3Å; S139-L143 WeakPolarHBondContact O-CG 3.47Å; S139-L143 PolarHBondContact O-N 3.33Å |
| 140 | V | 95.1 | Very high | 94.6 | Very high | 81 Ų | 81 | 104.3 Ų | 104.3 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 173.9 | 170.3 | 0 | 0 | 0 | 0 | 110.9 | S136 E137 Q142 L143 E144 | S136-V140 WeakPolarHBondContact O-CG2 3.29Å; S136-V140 PolarHBondContact O-N 3.32Å; E137-V140 PolarHBondContact O-N 3.14Å; V140-Q142 VanDerWaalsContact C-N 3.34Å; V140-Q142 PolarHBondContact O-N 2.71Å; V140-L143 PolarHBondContact O-N 2.72Å; V140-E144 PolarHBondContact O-N 3.3Å |
| 141 | A | 94.4 | Very high | 94.4 | Very high | 48 Ų | 48 | 103.2 Ų | 103.2 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -42.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E137 Q138 E144 E145 | E137-A141 WeakPolarHBondContact O-CB 3.46Å; E137-A141 PolarHBondContact O-N 3.44Å; Q138-A141 PolarHBondContact O-N 2.86Å; A141-E144 PolarHBondContact O-N 3.42Å; A141-E145 PolarHBondContact O-N 2.99Å |
| 142 | Q | 94.6 | Very high | 94.1 | Very high | 121 Ų | 121 | 103.6 Ų | 103.6 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61 | -47.8 | 174 | -73.5 | 173.5 | -22.7 | 0 | 0 | 112 | Q138 S139 V140 E144 E145 E146 | Q138-Q142 WeakPolarHBondContact O-CG 3.38Å; Q138-Q142 PolarHBondContact O-N 2.93Å; S139-Q142 PolarHBondContact O-N 3.3Å; V140-Q142 VanDerWaalsContact C-N 3.34Å; V140-Q142 PolarHBondContact O-N 2.71Å; Q142-E144 VanDerWaalsContact C-N 3.28Å; Q142-E144 PolarHBondContact O-N 2.86Å; Q142-E145 PolarHBondContact O-N 3.27Å; Q142-E145 VanDerWaalsContact O-N 3.11Å; Q142-E146 WeakPolarHBondContact O-CG 3.29Å; Q142-E146 PolarHBondContact O-N 2.95Å |
| 143 | L | 93.9 | Very high | 93.7 | Very high | 100 Ų | 100 | 101.1 Ų | 101.1 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -33.1 | 177.5 | -70.7 | 169.8 | 0 | 0 | 0 | 112.5 | S139 V140 K147 | S139-L143 WeakPolarHBondContact O-CG 3.47Å; S139-L143 PolarHBondContact O-N 3.33Å; V140-L143 PolarHBondContact O-N 2.72Å; L143-K147 WeakPolarHBondContact O-CB 3.4Å; L143-K147 PolarHBondContact O-N 2.78Å |
| 144 | E | 94.3 | Very high | 93.2 | Very high | 97 Ų | 97 | 101 Ų | 101 | 45% | 0.453 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.6 | -37.8 | 172.1 | -78.2 | -167.4 | -167.7 | 0 | 0 | 113 | V140 A141 Q142 K148 | V140-E144 PolarHBondContact O-N 3.3Å; A141-E144 PolarHBondContact O-N 3.42Å; Q142-E144 VanDerWaalsContact C-N 3.28Å; Q142-E144 PolarHBondContact O-N 2.86Å; E144-K148 WeakPolarHBondContact O-CB 3.43Å; E144-K148 VanDerWaalsContact O-CD 3.27Å; E144-K148 WeakPolarHBondContact O-CD 3.34Å; E144-K148 WeakPolarHBondContact O-CG 3.24Å; E144-K148 PolarHBondContact O-N 3.1Å; E144-K148 IonicContact OE2-NZ 3.05Å; E144-K148 PolarHBondContact OE2-NZ 3.49Å |
| 145 | E | 95.2 | Very high | 92.7 | Very high | 134 Ų | 134 | 100.9 Ų | 100.9 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.6 | -45.2 | 174.8 | -72.9 | -178.9 | 172.1 | 0 | 0 | 111.4 | A141 Q142 K147 K148 H149 | A141-E145 PolarHBondContact O-N 2.99Å; Q142-E145 PolarHBondContact O-N 3.27Å; Q142-E145 VanDerWaalsContact O-N 3.11Å; E145-K147 VanDerWaalsContact C-N 3.34Å; E145-K147 PolarHBondContact O-N 2.96Å; E145-K148 PolarHBondContact O-N 2.94Å; E145-H149 WeakPolarHBondContact O-CB 3.48Å; E145-H149 PolarHBondContact O-N 3.32Å |
| 146 | E | 93.8 | Very high | 91.9 | Very high | 119 Ų | 119 | 98.9 Ų | 98.9 | 56% | 0.556 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.5 | -44.6 | 173 | -72 | 179.4 | -179.6 | 0 | 0 | 111.5 | Q142 H149 L150 | Q142-E146 WeakPolarHBondContact O-CG 3.29Å; Q142-E146 PolarHBondContact O-N 2.95Å; E146-H149 WeakPolarHBondContact O-CB 3.15Å; E146-H149 PolarHBondContact O-N 3.3Å; E146-L150 WeakPolarHBondContact O-CG 3.25Å; E146-L150 PolarHBondContact O-N 3.37Å |
| 147 | K | 94.4 | Very high | 91.1 | Very high | 125 Ų | 125 | 102.6 Ų | 102.6 | 54% | 0.543 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 175.2 | -176.9 | -172.4 | 170.5 | -161.7 | 0 | 111.7 | L143 E145 H149 L150 E151 | L143-K147 WeakPolarHBondContact O-CB 3.4Å; L143-K147 PolarHBondContact O-N 2.78Å; E145-K147 VanDerWaalsContact C-N 3.34Å; E145-K147 PolarHBondContact O-N 2.96Å; K147-H149 VanDerWaalsContact C-N 3.27Å; K147-H149 PolarHBondContact O-N 2.93Å; K147-L150 PolarHBondContact O-N 2.87Å; K147-E151 WeakPolarHBondContact CE-OE1 3.37Å; K147-E151 IonicContact NZ-OE1 2.89Å; K147-E151 WeakPolarHBondContact O-CB 3.39Å; K147-E151 WeakPolarHBondContact O-CG 3.28Å; K147-E151 PolarHBondContact O-N 2.96Å |
| 148 | K | 94.4 | Very high | 89.8 | Confident | 112 Ų | 112 | 102.9 Ų | 102.9 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60 | -38.1 | 176.8 | -71.9 | 158.2 | -166 | 153.9 | 0 | 111.3 | E144 E145 F152 | E144-K148 WeakPolarHBondContact O-CB 3.43Å; E144-K148 VanDerWaalsContact O-CD 3.27Å; E144-K148 WeakPolarHBondContact O-CD 3.34Å; E144-K148 WeakPolarHBondContact O-CG 3.24Å; E144-K148 PolarHBondContact O-N 3.1Å; E144-K148 IonicContact OE2-NZ 3.05Å; E144-K148 PolarHBondContact OE2-NZ 3.49Å; E145-K148 PolarHBondContact O-N 2.94Å; K148-F152 WeakPolarHBondContact O-CB 3.21Å; K148-F152 PolarHBondContact O-N 2.96Å |
| 149 | H | 92.6 | Very high | 88.4 | Confident | 115 Ų | 115 | 105.3 Ų | 105.3 | 53% | 0.532 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -43.2 | 175.9 | -172.2 | 67.8 | 0 | 0 | 0 | 112.3 | E145 E146 K147 F152 M153 | E145-H149 WeakPolarHBondContact O-CB 3.48Å; E145-H149 PolarHBondContact O-N 3.32Å; E146-H149 WeakPolarHBondContact O-CB 3.15Å; E146-H149 PolarHBondContact O-N 3.3Å; K147-H149 VanDerWaalsContact C-N 3.27Å; K147-H149 PolarHBondContact O-N 2.93Å; H149-F152 PolarHBondContact O-N 3.05Å; H149-M153 WeakPolarHBondContact O-CG 3.35Å; H149-M153 PolarHBondContact O-N 3.26Å |
| 150 | L | 91.8 | Very high | 86.7 | Confident | 121 Ų | 121 | 107.3 Ų | 107.3 | 63% | 0.634 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.5 | -40.5 | 174.5 | -71.6 | 170.8 | 0 | 0 | 0 | 112.3 | E146 K147 M153 N154 | E146-L150 WeakPolarHBondContact O-CG 3.25Å; E146-L150 PolarHBondContact O-N 3.37Å; K147-L150 PolarHBondContact O-N 2.87Å; L150-M153 PolarHBondContact O-N 2.82Å; L150-N154 VanDerWaalsContact O-CB 3.31Å; L150-N154 WeakPolarHBondContact O-CB 3.06Å; L150-N154 PolarHBondContact O-N 3.48Å |
| 151 | E | 90.6 | Very high | 84.8 | Confident | 91 Ų | 91 | 110.3 Ų | 110.3 | 43% | 0.425 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 173.8 | -74.8 | 175.8 | 163.5 | 0 | 0 | 111.4 | K147 N154 Q155 | K147-E151 WeakPolarHBondContact CE-OE1 3.37Å; K147-E151 IonicContact NZ-OE1 2.89Å; K147-E151 WeakPolarHBondContact O-CB 3.39Å; K147-E151 WeakPolarHBondContact O-CG 3.28Å; K147-E151 PolarHBondContact O-N 2.96Å; E151-N154 PolarHBondContact O-N 3.44Å; E151-Q155 WeakPolarHBondContact O-CG 3.49Å; E151-Q155 PolarHBondContact O-N 3.39Å |
| 152 | F | 90.4 | Very high | 82.8 | Confident | 114 Ų | 114 | 114.6 Ų | 114.6 | 50% | 0.5 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -46.5 | 174.1 | 177.6 | -99 | 0 | 0 | 0 | 112.4 | K148 H149 N154 Q155 L156 | K148-F152 WeakPolarHBondContact O-CB 3.21Å; K148-F152 PolarHBondContact O-N 2.96Å; H149-F152 PolarHBondContact O-N 3.05Å; F152-N154 VanDerWaalsContact C-N 3.28Å; F152-N154 PolarHBondContact O-N 3.47Å; F152-Q155 WeakPolarHBondContact O-CB 3.28Å; F152-Q155 PolarHBondContact O-N 2.99Å; F152-L156 HydrophobicContact CE1-CD1 4.37Å; F152-L156 HydrophobicContact CZ-CD1 4.07Å; F152-L156 PolarHBondContact O-N 2.93Å |
| 153 | M | 86.8 | Confident | 80.7 | Confident | 82 Ų | 82 | 115.3 Ų | 115.3 | 40% | 0.404 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.7 | -33.9 | 176.4 | -72.1 | -64.6 | -68.7 | 0 | 0 | 112.5 | H149 L150 L156 K157 | H149-M153 WeakPolarHBondContact O-CG 3.35Å; H149-M153 PolarHBondContact O-N 3.26Å; L150-M153 PolarHBondContact O-N 2.82Å; M153-L156 PolarHBondContact O-N 3.04Å; M153-K157 WeakPolarHBondContact O-CG 3.44Å; M153-K157 PolarHBondContact O-N 3.42Å; M153-K157 VanDerWaalsContact O-N 3.11Å |
| 154 | N | 84.6 | Confident | 78.1 | Confident | 90 Ų | 90 | 114.8 Ų | 114.8 | 48% | 0.481 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.2 | -40.6 | 174.6 | -167.5 | -49.5 | 0 | 0 | 0 | 111.5 | L150 E151 F152 L156 K157 K158 | L150-N154 VanDerWaalsContact O-CB 3.31Å; L150-N154 WeakPolarHBondContact O-CB 3.06Å; L150-N154 PolarHBondContact O-N 3.48Å; E151-N154 PolarHBondContact O-N 3.44Å; F152-N154 VanDerWaalsContact C-N 3.28Å; F152-N154 PolarHBondContact O-N 3.47Å; N154-L156 VanDerWaalsContact C-N 3.34Å; N154-K157 PolarHBondContact O-N 3.09Å; N154-K158 PolarHBondContact O-N 3.18Å; N154-K158 VanDerWaalsContact OD1-CE 3.32Å; N154-K158 WeakPolarHBondContact OD1-CE 3.31Å |
| 155 | Q | 84.7 | Confident | 75.8 | Confident | 109 Ų | 109 | 115.9 Ų | 115.9 | 51% | 0.509 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.7 | -43 | 171.5 | -71.3 | 171.3 | 26.8 | 0 | 0 | 111.6 | E151 F152 K157 K158 Y159 | E151-Q155 WeakPolarHBondContact O-CG 3.49Å; E151-Q155 PolarHBondContact O-N 3.39Å; F152-Q155 WeakPolarHBondContact O-CB 3.28Å; F152-Q155 PolarHBondContact O-N 2.99Å; Q155-K157 PolarHBondContact O-N 3.27Å; Q155-K158 PolarHBondContact O-N 2.94Å; Q155-Y159 WeakPolarHBondContact O-CD2 3.49Å; Q155-Y159 PolarHBondContact O-N 3.01Å |
| 156 | L | 79.3 | Confident | 73.2 | Confident | 80 Ų | 80 | 114.3 Ų | 114.3 | 42% | 0.419 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.9 | -46.6 | 178 | -142.1 | 77.6 | 0 | 0 | 0 | 111.8 | F152 M153 N154 K158 Y159 D160 | F152-L156 HydrophobicContact CE1-CD1 4.37Å; F152-L156 HydrophobicContact CZ-CD1 4.07Å; F152-L156 PolarHBondContact O-N 2.93Å; M153-L156 PolarHBondContact O-N 3.04Å; N154-L156 VanDerWaalsContact C-N 3.34Å; L156-K158 VanDerWaalsContact C-N 3.29Å; L156-K158 PolarHBondContact O-N 3.12Å; L156-Y159 PolarHBondContact O-N 2.96Å; L156-Y159 VanDerWaalsContact O-N 3.1Å; L156-D160 PolarHBondContact O-N 3.18Å |
| 157 | K | 76.6 | Confident | 70.5 | Confident | 137 Ų | 137 | 117.5 Ų | 117.5 | 60% | 0.596 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -57.7 | -36.7 | 177.4 | -78.6 | -176.1 | 174.2 | -170.6 | 0 | 113.9 | M153 N154 Q155 Y159 D160 E161 | M153-K157 WeakPolarHBondContact O-CG 3.44Å; M153-K157 PolarHBondContact O-N 3.42Å; M153-K157 VanDerWaalsContact O-N 3.11Å; N154-K157 PolarHBondContact O-N 3.09Å; Q155-K157 PolarHBondContact O-N 3.27Å; K157-Y159 VanDerWaalsContact C-N 3.3Å; K157-Y159 PolarHBondContact O-N 3.41Å; K157-D160 PolarHBondContact O-N 3.31Å; K157-E161 PolarHBondContact O-N 3.05Å |
| 158 | K | 67.6 | Low | 68.1 | Low | 118 Ų | 118 | 120.5 Ų | 120.5 | 51% | 0.513 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.1 | -36.5 | 177.5 | -70.4 | 175.8 | -179.5 | -179.6 | 0 | 112.2 | N154 Q155 L156 E161 D162 | N154-K158 PolarHBondContact O-N 3.18Å; N154-K158 VanDerWaalsContact OD1-CE 3.32Å; N154-K158 WeakPolarHBondContact OD1-CE 3.31Å; Q155-K158 PolarHBondContact O-N 2.94Å; L156-K158 VanDerWaalsContact C-N 3.29Å; L156-K158 PolarHBondContact O-N 3.12Å; K158-E161 PolarHBondContact O-N 3.38Å; K158-D162 PolarHBondContact O-N 3.38Å |
| 159 | Y | 66.8 | Low | 65.4 | Low | 161 Ų | 161 | 125.1 Ų | 125.1 | 63% | 0.631 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -73.1 | -28.9 | 174.9 | -66.1 | -67.9 | 0 | 0 | 0 | 113 | Q155 L156 K157 L163 | Q155-Y159 WeakPolarHBondContact O-CD2 3.49Å; Q155-Y159 PolarHBondContact O-N 3.01Å; L156-Y159 PolarHBondContact O-N 2.96Å; L156-Y159 VanDerWaalsContact O-N 3.1Å; K157-Y159 VanDerWaalsContact C-N 3.3Å; K157-Y159 PolarHBondContact O-N 3.41Å; Y159-L163 WeakPolarHBondContact O-CD1 3.29Å; Y159-L163 WeakPolarHBondContact O-CG 3.42Å; Y159-L163 PolarHBondContact O-N 2.8Å |
| 160 | D | 59.8 | Low | 62.8 | Low | 98 Ų | 98 | 128.7 Ų | 128.7 | 52% | 0.524 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -72.5 | -35.2 | 171.3 | -74.3 | -28.6 | 0 | 0 | 0 | 112.3 | L156 K157 L163 S164 | L156-D160 PolarHBondContact O-N 3.18Å; K157-D160 PolarHBondContact O-N 3.31Å; D160-L163 PolarHBondContact O-N 3.1Å; D160-S164 PolarHBondContact O-OG 3.49Å |
| 161 | E | 54.8 | Low | 59.6 | Low | 144 Ų | 144 | 129.3 Ų | 129.3 | 67% | 0.673 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64.6 | -43.5 | 171.9 | -75.7 | 177.8 | 158.8 | 0 | 0 | 111.5 | K157 K158 L163 S164 | K157-E161 PolarHBondContact O-N 3.05Å; K158-E161 PolarHBondContact O-N 3.38Å; E161-L163 PolarHBondContact O-N 2.78Å; E161-L163 VanDerWaalsContact O-N 3.13Å; E161-S164 PolarHBondContact O-N 2.8Å |
| 162 | D | 52.1 | Low | 56.8 | Low | 138 Ų | 138 | 132 Ų | 132 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -10.6 | 176.5 | -78.8 | -26.2 | 0 | 0 | 0 | 114.2 | K158 | K158-D162 PolarHBondContact O-N 3.38Š|
| 163 | L | 49.6 | Very low | 54 | Low | 137 Ų | 137 | 131.3 Ų | 131.3 | 72% | 0.717 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -0.8 | 177.2 | -79.5 | 166.8 | 0 | 0 | 0 | 114.2 | Y159 D160 E161 P165 | Y159-L163 WeakPolarHBondContact O-CD1 3.29Å; Y159-L163 WeakPolarHBondContact O-CG 3.42Å; Y159-L163 PolarHBondContact O-N 2.8Å; D160-L163 PolarHBondContact O-N 3.1Å; E161-L163 PolarHBondContact O-N 2.78Å; E161-L163 VanDerWaalsContact O-N 3.13Å; L163-P165 WeakPolarHBondContact O-CD 3.11Å |
| 164 | S | 40.5 | Very low | 51.3 | Low | 89 Ų | 89 | 133 Ų | 133 | 62% | 0.622 | 70% | 0.698 | S | S | * | * | trans | -124.2 | 89 | -166.2 | -58.5 | 0 | 0 | 0 | 0 | 113.7 | D160 E161 | D160-S164 PolarHBondContact O-OG 3.49Å; E161-S164 PolarHBondContact O-N 2.8Å | ||
| 165 | P | 46.5 | Very low | 49.2 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | trans | -81.9 | 116.9 | 165.4 | 32 | -28.9 | 0 | 0 | 0 | 110 | L163 | L163-P165 WeakPolarHBondContact O-CD 3.11Š| ||
| 166 | S | 39 | Very low | 46.7 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | 159.9 | 137.7 | 129.7 | -82.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 167 | E | 38.8 | Very low | 44.2 | Very low | 187 Ų | 187 | 144 Ų | 144 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | 81.4 | 140.9 | 142.5 | -72.7 | 175.7 | -165.1 | 0 | 0 | 122.3 | ||||
| 168 | E | 44.1 | Very low | 42.5 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 88% | 0.879 | 76% | 0.762 | S | S | * | * | trans | -80.1 | 151.2 | -168.7 | -53.3 | 164.2 | 159.7 | 0 | 0 | 112.5 | ||||
| 169 | K | 35.8 | Very low | 40.7 | Very low | 208 Ų | 208 | 147 Ų | 147 | 90% | 0.904 | 78% | 0.777 | S | S | * | * | trans | -164.7 | 136.4 | 132.7 | -117 | 164 | -175.4 | 167.6 | 0 | 114.7 | ||||
| 170 | E | 38 | Very low | 39.2 | Very low | 191 Ų | 191 | 144.9 Ų | 144.9 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | trans | -67.4 | 149.8 | 164.8 | -57.1 | 175.2 | 130.8 | 0 | 0 | 111.2 | ||||
| 171 | C | 26.4 | Very low | 37.8 | Very low | 134 Ų | 134 | 148.3 Ų | 148.3 | 91% | 0.905 | 80% | 0.795 | S | S | * | * | trans | -153.2 | 135.4 | 136.7 | -153.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 172 | D | 30.6 | Very low | 36.6 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | -93.9 | 147.1 | 179 | 172.9 | 30.3 | 0 | 0 | 0 | 110.6 | ||||
| 173 | S | 31.9 | Very low | 35.8 | Very low | 100 Ų | 100 | 149.4 Ų | 149.4 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | trans | -175.2 | 117.7 | 146.8 | 52.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 174 | S | 30.3 | Very low | 34.8 | Very low | 117 Ų | 117 | 149.8 Ų | 149.8 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | 79.2 | 121.8 | 135.2 | -54.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 175 | K | 41.1 | Very low | 34.4 | Very low | 203 Ų | 203 | 151.8 Ų | 151.8 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -84.7 | 147.1 | 159 | -61.1 | 165.6 | 175.5 | 170.5 | 0 | 110.4 | ||||
| 176 | E | 31.3 | Very low | 33.7 | Very low | 183 Ų | 183 | 153.5 Ų | 153.5 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -156.9 | 101.3 | 152.7 | -102.8 | 162.7 | -162.5 | 0 | 0 | 106.1 | ||||
| 177 | T | 27.6 | Very low | 33.2 | Very low | 126 Ų | 126 | 154.5 Ų | 154.5 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | 63.9 | 122.9 | 93.1 | 49.4 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 178 | L | 40.6 | Very low | 32.6 | Very low | 161 Ų | 161 | 153.6 Ų | 153.6 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | trans | -48.5 | 142.5 | 160.6 | -92 | 67.8 | 0 | 0 | 0 | 110.8 | ||||
| 179 | D | 29.3 | Very low | 31.8 | Very low | 156 Ų | 156 | 152.7 Ų | 152.7 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | -162.9 | 158.6 | 109.2 | -120.8 | -16.8 | 0 | 0 | 0 | 116 | |||||
| 180 | D | 35 | Very low | 31.5 | Very low | 117 Ų | 117 | 147.4 Ų | 147.4 | 63% | 0.626 | 80% | 0.797 | S | S | * | * | trans | -14.9 | 127.9 | 164 | -143 | 1.4 | 0 | 0 | 0 | 120.7 | ||||
| 181 | L | 31.6 | Very low | 31.5 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | -154.6 | 82.2 | 155.3 | -87.2 | -171.8 | 0 | 0 | 0 | 111.6 | ||||
| 182 | F | 29.5 | Very low | 31.4 | Very low | 176 Ų | 176 | 141.6 Ų | 141.6 | 77% | 0.772 | 79% | 0.788 | S | S | * | * | trans | -72.4 | 148 | 152.1 | -81.6 | -93.8 | 0 | 0 | 0 | 110.6 | ||||
| 183 | P | 33.7 | Very low | 31.1 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | trans | -119.7 | 114.4 | 143.9 | 5.1 | 16.2 | 0 | 0 | 0 | 110.4 | ||||
| 184 | D | 28.6 | Very low | 30.9 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | -111.5 | 136.1 | 160.3 | -117 | -19.7 | 0 | 0 | 0 | 106.8 | ||||
| 185 | D | 33.2 | Very low | 31.6 | Very low | 132 Ų | 132 | 147 Ų | 147 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | trans | -171.7 | 119 | 149 | -104 | -22 | 0 | 0 | 0 | 111.7 | ||||
| 186 | Q | 31.7 | Very low | 30.7 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | trans | 57.3 | 144.4 | 135.5 | -62.7 | 167.6 | 48.1 | 0 | 0 | 119.5 | ||||
| 187 | D | 28.4 | Very low | 30.5 | Very low | 122 Ų | 122 | 142.4 Ų | 142.4 | 65% | 0.652 | 79% | 0.794 | S | S | * | * | cis | -164.4 | 156.1 | -4.4 | -119.9 | -31.6 | 0 | 0 | 0 | 107.9 | ||||
| 188 | D | 26.9 | Very low | 30.3 | Very low | 167 Ų | 167 | 140.1 Ų | 140.1 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | -178.4 | 143.8 | 128.6 | -116.3 | -30.9 | 0 | 0 | 0 | 113.7 | |||||
| 189 | Q | 27.1 | Very low | 29.6 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -115.2 | 125.6 | -173.8 | -71 | -178.3 | 4.8 | 0 | 0 | 114.6 | ||||
| 190 | A | 29.7 | Very low | 29.4 | Very low | 96 Ų | 96 | 135.2 Ų | 135.2 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | trans | 63.5 | 179.4 | 139.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 191 | P | 36.9 | Very low | 29.1 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | cis | -130.3 | 177.6 | -0.2 | 41.2 | -22.7 | 0 | 0 | 0 | 116.2 | ||||
| 192 | G | 25.4 | Very low | 29.2 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -80.4 | -177.9 | -161.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 193 | M | 24 | Very low | 29.1 | Very low | 189 Ų | 189 | 128.2 Ų | 128.2 | 93% | 0.931 | 81% | 0.808 | S | S | * | * | trans | -154.6 | 139 | 160.4 | -157.4 | 62.1 | 120.3 | 0 | 0 | 112.5 | ||||
| 194 | Q | 26.4 | Very low | 28.9 | Very low | 175 Ų | 175 | 127.1 Ų | 127.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -151.7 | 169.8 | 167.8 | -87.5 | -162.9 | 12 | 0 | 0 | 106.5 | ||||
| 195 | P | 45 | Very low | 29 | Very low | 113 Ų | 113 | 125 Ų | 125 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | cis | -130.2 | -177.3 | -18.3 | 31.3 | -11.3 | 0 | 0 | 0 | 112.5 | ||||
| 196 | A | 22.4 | Very low | 28.9 | Very low | 95 Ų | 95 | 127.5 Ų | 127.5 | 79% | 0.785 | 82% | 0.82 | S | S | * | * | trans | 176.9 | 146.5 | 132.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 197 | H | 27.8 | Very low | 28.9 | Very low | 195 Ų | 195 | 127.6 Ų | 127.6 | 90% | 0.903 | 82% | 0.82 | S | S | * | * | trans | -67.8 | 165.4 | 174.2 | -52.6 | -93.6 | 0 | 0 | 0 | 112.2 | ||||
| 198 | G | 23 | Very low | 29.1 | Very low | 77 Ų | 77 | 122.7 Ų | 122.7 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | cis | -170.3 | -154.6 | 1.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 199 | S | 26.6 | Very low | 29.6 | Very low | 123 Ų | 123 | 118 Ų | 118 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | cis | -165.4 | 178.9 | -16.5 | 76.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 200 | A | 25.3 | Very low | 31 | Very low | 91 Ų | 91 | 113.5 Ų | 113.5 | 75% | 0.752 | 77% | 0.765 | S | S | * | * | cis | -154.2 | 147 | -4.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 201 | A | 27.4 | Very low | 32.3 | Very low | 107 Ų | 107 | 117.9 Ų | 117.9 | 88% | 0.884 | 77% | 0.77 | S | S | * | * | trans | -157.8 | 47 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 202 | A | 33.9 | Very low | 34 | Very low | 106 Ų | 106 | 113.7 Ų | 113.7 | 88% | 0.876 | 74% | 0.74 | S | S | * | * | trans | -97.6 | 87.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 203 | A | 27.6 | Very low | 36.4 | Very low | 104 Ų | 104 | 112 Ų | 112 | 86% | 0.86 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -143.3 | 7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 204 | A | 29.8 | Very low | 38.9 | Very low | 105 Ų | 105 | 106.7 Ų | 106.7 | 87% | 0.868 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -134.4 | -3.9 | -176 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 205 | A | 29.7 | Very low | 41.3 | Very low | 100 Ų | 100 | 106 Ų | 106 | 83% | 0.826 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -101.5 | -11.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q207 | A205-Q207 PolarHBondContact O-N 3.41Š|
| 206 | Q | 31 | Very low | 43 | Very low | 185 Ų | 185 | 101 Ų | 101 | 86% | 0.864 | 66% | 0.658 | S | S | * | * | trans | -83.8 | 100 | 172.2 | -80.6 | -175 | -15.8 | 0 | 0 | 110.4 | ||||
| 207 | Q | 32.8 | Very low | 45.8 | Very low | 157 Ų | 157 | 103 Ų | 103 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -166.3 | 83.2 | 149.6 | -112 | 170.8 | 74 | 0 | 0 | 113.7 | A205 | A205-Q207 PolarHBondContact O-N 3.41Š|
| 208 | G | 32.9 | Very low | 48.6 | Very low | 19 Ų | 19 | 99.1 Ų | 99.1 | 20% | 0.196 | 64% | 0.635 | C | S | . | * | S | Bend | trans | 114.9 | 71.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 116 | Y210 | G208-Y210 VanDerWaalsContact C-N 3.27Å; G208-Y210 VanDerWaalsContact O-CD2 3.24Å; G208-Y210 WeakPolarHBondContact O-CD2 3.41Å; G208-Y210 PolarHBondContact O-N 2.98Å |
| 209 | G | 36.8 | Very low | 51.6 | Low | 67 Ų | 67 | 97.1 Ų | 97.1 | 69% | 0.691 | 61% | 0.606 | S | S | * | * | S | Bend | trans | 61.6 | 17.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 210 | Y | 56.3 | Low | 54.3 | Low | 76 Ų | 76 | 92.3 Ų | 92.3 | 30% | 0.298 | 57% | 0.57 | S | S | . | * | trans | -104 | 109.4 | 177 | -71 | -67.4 | 0 | 0 | 0 | 110.9 | G208 A301 T302 N305 | G208-Y210 VanDerWaalsContact C-N 3.27Å; G208-Y210 VanDerWaalsContact O-CD2 3.24Å; G208-Y210 WeakPolarHBondContact O-CD2 3.41Å; G208-Y210 PolarHBondContact O-N 2.98Å; Y210-A301 HydrophobicContact CD2-CB 4.43Å; Y210-A301 HydrophobicContact CE1-CB 3.73Å; Y210-A301 HydrophobicContact CE2-CB 3.58Å; Y210-A301 WeakPolarHBondContact OH-CB 3.39Å; Y210-A301 PolarHBondContact OH-O 3.44Å; Y210-A301 VanDerWaalsContact OH-O 3.08Å; Y210-T302 PolarHBondContact OH-N 3.34Å; Y210-N305 PolarHBondContact OH-ND2 3.47Å | ||
| 211 | E | 57.3 | Low | 57.2 | Low | 189 Ų | 189 | 92.2 Ų | 92.2 | 88% | 0.883 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 118.2 | 165.7 | -66.5 | -173.3 | 178.4 | 0 | 0 | 109.4 | ||
| 212 | I | 72.4 | Confident | 60.2 | Low | 40 Ų | 40 | 89.8 Ų | 89.8 | 21% | 0.205 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -90.4 | 122.9 | 176.3 | -60.4 | 178.5 | 0 | 0 | 0 | 107.8 | A214 L216 H220 | I212-A214 PolarHBondContact O-N 2.83Å; I212-L216 HydrophobicContact CG2-CB 4.02Å; I212-H220 WeakPolarHBondContact CD1-CD2 3.22Å; I212-H220 VanDerWaalsContact CD1-CE1 3.46Å; I212-H220 WeakPolarHBondContact CD1-CE1 3.46Å; I212-H220 WeakPolarHBondContact CD1-NE2 3.45Å; I212-H220 HydrophobicContact CG2-CB 4.36Å |
| 213 | P | 76.8 | Confident | 62.8 | Low | 38 Ų | 38 | 84.8 Ų | 84.8 | 25% | 0.247 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -49.5 | 139.6 | 179.7 | -29.5 | 35.2 | 0 | 0 | 0 | 112.1 | R215 L216 R217 | P213-R215 HydrophobicContact CB-CG 4.24Å; P213-R215 PolarHBondContact O-N 3.32Å; P213-R215 VanDerWaalsContact O-N 3.15Å; P213-L216 HydrophobicContact CB-CG 4.38Å; P213-L216 HydrophobicContact CG-CD1 4.34Å; P213-L216 WeakPolarHBondContact O-CA 3.47Å; P213-L216 PolarHBondContact O-N 2.85Å; P213-R217 PolarHBondContact O-N 3.26Å; P213-R217 VanDerWaalsContact O-N 3.09Å |
| 214 | A | 76 | Confident | 65.5 | Low | 78 Ų | 78 | 84 Ų | 84 | 65% | 0.645 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -53.9 | -40.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I212 L216 R217 | I212-A214 PolarHBondContact O-N 2.83Å; A214-L216 VanDerWaalsContact C-N 3.29Å; A214-L216 PolarHBondContact O-N 3.06Å; A214-R217 VanDerWaalsContact O-CB 3.3Å; A214-R217 WeakPolarHBondContact O-CB 3.48Å; A214-R217 PolarHBondContact O-N 3.1Å |
| 215 | R | 76.6 | Confident | 68.3 | Low | 160 Ų | 160 | 83.9 Ų | 83.9 | 60% | 0.604 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -60.9 | -31 | 175.3 | 65.2 | -173.3 | 173.6 | -145.1 | 1.8 | 114.3 | P213 H254 D256 | P213-R215 HydrophobicContact CB-CG 4.24Å; P213-R215 PolarHBondContact O-N 3.32Å; P213-R215 VanDerWaalsContact O-N 3.15Å; R215-H254 PolarHBondContact NH2-CE1 2.93Å; R215-D256 IonicContact CZ-OD1 3.26Å; R215-D256 IonicContact CZ-OD2 2.73Å; R215-D256 VanDerWaalsContact CZ-OD2 3.25Å; R215-D256 IonicContact NE-OD2 3.87Å; R215-D256 PolarHBondContact NE-OD2 2.97Å; R215-D256 IonicContact NH2-OD1 2.87Å; R215-D256 PolarHBondContact NH2-OD1 3.04Å; R215-D256 IonicContact NH2-OD2 3.49Å; R215-D256 PolarHBondContact NH2-OD2 3.49Å |
| 216 | L | 80.2 | Confident | 71.2 | Confident | 9 Ų | 9 | 81.8 Ų | 81.8 | 5% | 0.047 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -90.5 | -13.4 | 177.7 | -60.7 | -173.5 | 0 | 0 | 0 | 113.3 | I212 P213 A214 T218 L219 H220 L246 D256 T259 M260 | I212-L216 HydrophobicContact CG2-CB 4.02Å; P213-L216 HydrophobicContact CB-CG 4.38Å; P213-L216 HydrophobicContact CG-CD1 4.34Å; P213-L216 WeakPolarHBondContact O-CA 3.47Å; P213-L216 PolarHBondContact O-N 2.85Å; A214-L216 VanDerWaalsContact C-N 3.29Å; A214-L216 PolarHBondContact O-N 3.06Å; L216-T218 PolarHBondContact O-N 3.23Å; L216-L219 PolarHBondContact O-N 3.39Å; L216-H220 WeakPolarHBondContact O-CB 3.43Å; L216-H220 PolarHBondContact O-N 3.32Å; L216-L246 HydrophobicContact CD1-CD1 4.44Å; L216-L246 HydrophobicContact CD2-CD1 3.93Å; L216-L246 HydrophobicContact CD2-CD2 4.3Å; L216-D256 HydrophobicContact CD1-CB 3.84Å; L216-D256 WeakPolarHBondContact CD1-OD2 3.45Å; L216-T259 HydrophobicContact CD1-CG2 4.35Å; L216-M260 HydrophobicContact CD1-CG 3.95Å; L216-M260 HydrophobicContact CD1-SD 4.24Å; L216-M260 HydrophobicContact CD2-CG 4.26Å; L216-M260 HydrophobicContact CD2-SD 4.27Å |
| 217 | R | 82.6 | Confident | 73.9 | Confident | 138 Ų | 138 | 73.5 Ų | 73.5 | 52% | 0.521 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -57.8 | -48.4 | -174.1 | -165.7 | 92.3 | 72.2 | 80.5 | 3.1 | 112.3 | P213 A214 H220 N221 | P213-R217 PolarHBondContact O-N 3.26Å; P213-R217 VanDerWaalsContact O-N 3.09Å; A214-R217 VanDerWaalsContact O-CB 3.3Å; A214-R217 WeakPolarHBondContact O-CB 3.48Å; A214-R217 PolarHBondContact O-N 3.1Å; R217-H220 PolarHBondContact O-N 2.98Å; R217-N221 WeakPolarHBondContact O-CB 3.47Å; R217-N221 PolarHBondContact O-N 3.43Å; R217-N221 PolarHBondContact O-OD1 2.92Å |
| 218 | T | 85.7 | Confident | 76.4 | Confident | 112 Ų | 112 | 70.5 Ų | 70.5 | 69% | 0.687 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.9 | -46.2 | -178 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | L216 N221 L222 | L216-T218 PolarHBondContact O-N 3.23Å; T218-N221 PolarHBondContact O-N 3.41Å; T218-L222 WeakPolarHBondContact O-CB 3.44Å; T218-L222 PolarHBondContact O-N 3.1Å |
| 219 | L | 86.2 | Confident | 79.1 | Confident | 36 Ų | 36 | 74.5 Ų | 74.5 | 19% | 0.188 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 176.2 | -179.7 | 71.6 | 0 | 0 | 0 | 111.7 | L216 N221 L222 V223 L238 A242 M260 | L216-L219 PolarHBondContact O-N 3.39Å; L219-N221 PolarHBondContact O-N 2.96Å; L219-L222 PolarHBondContact O-N 3.12Å; L219-V223 VanDerWaalsContact O-CG2 3.31Å; L219-V223 WeakPolarHBondContact O-CG2 3.47Å; L219-V223 PolarHBondContact O-N 3.03Å; L219-L238 HydrophobicContact CD1-CD1 3.69Å; L219-L238 HydrophobicContact CD1-CD2 4.05Å; L219-L238 HydrophobicContact CD1-CG 3.69Å; L219-A242 HydrophobicContact CD1-CB 4.44Å; L219-A242 HydrophobicContact CD2-CB 3.3Å; L219-A242 HydrophobicContact CG-CB 4.46Å; L219-M260 HydrophobicContact CD2-CE 3.59Å; L219-M260 HydrophobicContact CD2-SD 3.83Å; L219-M260 HydrophobicContact CG-CE 4.34Å |
| 220 | H | 83.4 | Confident | 81.5 | Confident | 22 Ų | 22 | 73 Ų | 73 | 10% | 0.102 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -57.5 | -47.4 | 177.1 | 173.1 | 73.1 | 0 | 0 | 0 | 112.1 | I212 L216 R217 L222 V223 I224 I263 | I212-H220 WeakPolarHBondContact CD1-CD2 3.22Å; I212-H220 VanDerWaalsContact CD1-CE1 3.46Å; I212-H220 WeakPolarHBondContact CD1-CE1 3.46Å; I212-H220 WeakPolarHBondContact CD1-NE2 3.45Å; I212-H220 HydrophobicContact CG2-CB 4.36Å; L216-H220 WeakPolarHBondContact O-CB 3.43Å; L216-H220 PolarHBondContact O-N 3.32Å; R217-H220 PolarHBondContact O-N 2.98Å; H220-L222 VanDerWaalsContact C-N 3.34Å; H220-L222 PolarHBondContact O-N 3.47Å; H220-V223 PolarHBondContact O-N 3.39Å; H220-I224 VanDerWaalsContact CE1-CD1 3.41Å; H220-I224 WeakPolarHBondContact CE1-CD1 3.45Å; H220-I224 WeakPolarHBondContact NE2-CD1 3.46Å; H220-I224 PolarHBondContact O-N 2.89Å; H220-I263 HydrophobicContact CB-CD1 4.03Å; H220-I263 WeakPolarHBondContact ND1-CD1 3.45Å; H220-I263 VanDerWaalsContact ND1-CG1 3.34Å; H220-I263 WeakPolarHBondContact ND1-CG1 3.5Å |
| 221 | N | 86.6 | Confident | 83.2 | Confident | 88 Ų | 88 | 74.4 Ų | 74.4 | 47% | 0.471 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 177.4 | -69.7 | -6.5 | 0 | 0 | 0 | 111.3 | R217 T218 L219 I224 Q225 | R217-N221 WeakPolarHBondContact O-CB 3.47Å; R217-N221 PolarHBondContact O-N 3.43Å; R217-N221 PolarHBondContact O-OD1 2.92Å; T218-N221 PolarHBondContact O-N 3.41Å; L219-N221 PolarHBondContact O-N 2.96Å; N221-I224 PolarHBondContact O-N 3.11Å; N221-Q225 WeakPolarHBondContact O-CB 3.44Å; N221-Q225 PolarHBondContact O-N 3.33Å |
| 222 | L | 89.1 | Confident | 84.8 | Confident | 57 Ų | 57 | 68.5 Ų | 68.5 | 30% | 0.298 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 178.5 | -174.2 | 60.8 | 0 | 0 | 0 | 112.1 | T218 L219 H220 Q225 Y226 L238 | T218-L222 WeakPolarHBondContact O-CB 3.44Å; T218-L222 PolarHBondContact O-N 3.1Å; L219-L222 PolarHBondContact O-N 3.12Å; H220-L222 VanDerWaalsContact C-N 3.34Å; H220-L222 PolarHBondContact O-N 3.47Å; L222-Q225 WeakPolarHBondContact O-CB 3.38Å; L222-Q225 PolarHBondContact O-N 2.96Å; L222-Y226 HydrophobicContact CD1-CD2 4.17Å; L222-Y226 HydrophobicContact CD1-CE1 4.43Å; L222-Y226 HydrophobicContact CD1-CE2 3.51Å; L222-Y226 HydrophobicContact CD2-CE2 4.04Å; L222-Y226 HydrophobicContact CG-CD2 4Å; L222-Y226 HydrophobicContact CG-CE2 3.5Å; L222-Y226 VanDerWaalsContact O-CD2 3.31Å; L222-Y226 WeakPolarHBondContact O-CD2 3.47Å; L222-Y226 PolarHBondContact O-N 2.76Å; L222-L238 HydrophobicContact CD2-CD2 3.93Å; L222-L238 HydrophobicContact CG-CD2 4.11Å |
| 223 | V | 88.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.8 | -45.3 | 174 | 167.8 | 0 | 0 | 0 | 0 | 111.4 | L219 H220 Q225 Y226 A227 L238 C239 I263 V267 | L219-V223 VanDerWaalsContact O-CG2 3.31Å; L219-V223 WeakPolarHBondContact O-CG2 3.47Å; L219-V223 PolarHBondContact O-N 3.03Å; H220-V223 PolarHBondContact O-N 3.39Å; V223-Q225 VanDerWaalsContact C-N 3.32Å; V223-Q225 PolarHBondContact O-N 3.34Å; V223-Y226 PolarHBondContact O-N 2.84Å; V223-A227 VanDerWaalsContact O-CB 3.29Å; V223-A227 WeakPolarHBondContact O-CB 3.35Å; V223-A227 PolarHBondContact O-N 3.36Å; V223-L238 HydrophobicContact CG2-CD2 3.93Å; V223-L238 HydrophobicContact CG2-CG 4.25Å; V223-C239 WeakPolarHBondContact CG1-SG 3.4Å; V223-C239 VanDerWaalsContact CG2-SG 3.53Å; V223-I263 HydrophobicContact CB-CG2 4.34Å; V223-I263 HydrophobicContact CG1-CG2 3.68Å; V223-V267 HydrophobicContact CG1-CG2 3.62Å |
| 224 | I | 86.1 | Confident | 86.2 | Confident | 89 Ų | 89 | 72.2 Ų | 72.2 | 46% | 0.456 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 174.8 | -74.3 | -177.4 | 0 | 0 | 0 | 110.8 | H220 N221 A227 S228 | H220-I224 VanDerWaalsContact CE1-CD1 3.41Å; H220-I224 WeakPolarHBondContact CE1-CD1 3.45Å; H220-I224 WeakPolarHBondContact NE2-CD1 3.46Å; H220-I224 PolarHBondContact O-N 2.89Å; N221-I224 PolarHBondContact O-N 3.11Å; I224-A227 PolarHBondContact O-N 3.08Å; I224-S228 WeakPolarHBondContact O-CB 3.41Å; I224-S228 PolarHBondContact O-N 2.97Å; I224-S228 PolarHBondContact O-OG 3.48Å |
| 225 | Q | 88.5 | Confident | 86.9 | Confident | 102 Ų | 102 | 68.5 Ų | 68.5 | 48% | 0.477 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 177.7 | -172.7 | 177.7 | 14 | 0 | 0 | 111 | N221 L222 V223 S228 Q229 | N221-Q225 WeakPolarHBondContact O-CB 3.44Å; N221-Q225 PolarHBondContact O-N 3.33Å; L222-Q225 WeakPolarHBondContact O-CB 3.38Å; L222-Q225 PolarHBondContact O-N 2.96Å; V223-Q225 VanDerWaalsContact C-N 3.32Å; V223-Q225 PolarHBondContact O-N 3.34Å; Q225-S228 PolarHBondContact O-N 3.4Å; Q225-S228 PolarHBondContact O-OG 3.29Å; Q225-Q229 VanDerWaalsContact O-CG 3.29Å; Q225-Q229 WeakPolarHBondContact O-CG 3.49Å; Q225-Q229 PolarHBondContact O-N 2.76Å; Q225-Q229 VanDerWaalsContact O-N 3.13Å |
| 226 | Y | 89.9 | Confident | 87.7 | Confident | 55 Ų | 55 | 61.8 Ų | 61.8 | 22% | 0.216 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 176.4 | -67.6 | -43.9 | 0 | 0 | 0 | 112.8 | L222 V223 S228 Q229 G230 R231 V234 L238 | L222-Y226 HydrophobicContact CD1-CD2 4.17Å; L222-Y226 HydrophobicContact CD1-CE1 4.43Å; L222-Y226 HydrophobicContact CD1-CE2 3.51Å; L222-Y226 HydrophobicContact CD2-CE2 4.04Å; L222-Y226 HydrophobicContact CG-CD2 4Å; L222-Y226 HydrophobicContact CG-CE2 3.5Å; L222-Y226 VanDerWaalsContact O-CD2 3.31Å; L222-Y226 WeakPolarHBondContact O-CD2 3.47Å; L222-Y226 PolarHBondContact O-N 2.76Å; V223-Y226 PolarHBondContact O-N 2.84Å; Y226-S228 PolarHBondContact O-N 3.17Å; Y226-Q229 PolarHBondContact O-N 3.37Å; Y226-G230 PolarHBondContact O-N 3.05Å; Y226-R231 HydrophobicContact CD1-CB 4.41Å; Y226-R231 WeakPolarHBondContact O-CA 3.37Å; Y226-R231 WeakPolarHBondContact O-CB 3.41Å; Y226-R231 PolarHBondContact O-N 2.64Å; Y226-V234 HydrophobicContact CD2-CB 4.25Å; Y226-V234 HydrophobicContact CD2-CG1 3.69Å; Y226-V234 HydrophobicContact CE2-CG1 3.55Å; Y226-V234 HydrophobicContact CG-CB 4.37Å; Y226-V234 HydrophobicContact CG-CG1 4.24Å; Y226-L238 HydrophobicContact CD2-CD2 4.26Å; Y226-L238 HydrophobicContact CE2-CD2 4.2Å |
| 227 | A | 87 | Confident | 88.3 | Confident | 12 Ų | 12 | 64.8 Ų | 64.8 | 10% | 0.099 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V223 I224 Q229 G230 Y232 V267 | V223-A227 VanDerWaalsContact O-CB 3.29Å; V223-A227 WeakPolarHBondContact O-CB 3.35Å; V223-A227 PolarHBondContact O-N 3.36Å; I224-A227 PolarHBondContact O-N 3.08Å; A227-Q229 VanDerWaalsContact C-N 3.27Å; A227-Q229 PolarHBondContact O-N 3.32Å; A227-G230 PolarHBondContact O-N 2.93Å; A227-Y232 HydrophobicContact CB-CE1 4.19Å; A227-V267 HydrophobicContact CB-CG2 4.29Å |
| 228 | S | 86.8 | Confident | 88.7 | Confident | 94 Ų | 94 | 60.6 Ų | 60.6 | 66% | 0.657 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.4 | -27.4 | 176.8 | 68.6 | 0 | 0 | 0 | 0 | 113.5 | I224 Q225 Y226 G230 | I224-S228 WeakPolarHBondContact O-CB 3.41Å; I224-S228 PolarHBondContact O-N 2.97Å; I224-S228 PolarHBondContact O-OG 3.48Å; Q225-S228 PolarHBondContact O-N 3.4Å; Q225-S228 PolarHBondContact O-OG 3.29Å; Y226-S228 PolarHBondContact O-N 3.17Å; S228-G230 PolarHBondContact O-N 2.99Å |
| 229 | Q | 89.6 | Confident | 89 | Confident | 102 Ų | 102 | 55.2 Ų | 55.2 | 48% | 0.477 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -2.9 | 171.2 | -68 | 171.1 | 9.9 | 0 | 0 | 113.2 | Q225 Y226 A227 R231 | Q225-Q229 VanDerWaalsContact O-CG 3.29Å; Q225-Q229 WeakPolarHBondContact O-CG 3.49Å; Q225-Q229 PolarHBondContact O-N 2.76Å; Q225-Q229 VanDerWaalsContact O-N 3.13Å; Y226-Q229 PolarHBondContact O-N 3.37Å; A227-Q229 VanDerWaalsContact C-N 3.27Å; A227-Q229 PolarHBondContact O-N 3.32Å; Q229-R231 HydrophobicContact CB-CB 4.47Å; Q229-R231 HydrophobicContact CB-CG 4.03Å; Q229-R231 PolarHBondContact O-N 3.37Å |
| 230 | G | 87.1 | Confident | 89.3 | Confident | 37 Ų | 37 | 58.4 Ų | 58.4 | 38% | 0.381 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 8.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y226 A227 S228 Y232 | Y226-G230 PolarHBondContact O-N 3.05Å; A227-G230 PolarHBondContact O-N 2.93Å; S228-G230 PolarHBondContact O-N 2.99Å; G230-Y232 WeakPolarHBondContact O-CD2 3.35Å; G230-Y232 PolarHBondContact O-N 3.26Å |
| 231 | R | 91.7 | Very high | 89.7 | Confident | 104 Ų | 104 | 62 Ų | 62 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | trans | -80.9 | 56.6 | -177.4 | -68.9 | -167.5 | 66.6 | -174.3 | 2.9 | 112.7 | Y226 Q229 E233 V234 A235 | Y226-R231 HydrophobicContact CD1-CB 4.41Å; Y226-R231 WeakPolarHBondContact O-CA 3.37Å; Y226-R231 WeakPolarHBondContact O-CB 3.41Å; Y226-R231 PolarHBondContact O-N 2.64Å; Q229-R231 HydrophobicContact CB-CB 4.47Å; Q229-R231 HydrophobicContact CB-CG 4.03Å; Q229-R231 PolarHBondContact O-N 3.37Å; R231-E233 WeakPolarHBondContact CA-OE1 3.47Å; R231-E233 WeakPolarHBondContact CA-OE2 3.38Å; R231-E233 VanDerWaalsContact CB-OE1 3.29Å; R231-E233 WeakPolarHBondContact CB-OE1 3.35Å; R231-E233 WeakPolarHBondContact CG-OE1 3.46Å; R231-E233 IonicContact CZ-OE1 3.76Å; R231-E233 IonicContact NE-OE1 3.16Å; R231-E233 PolarHBondContact NE-OE1 2.82Å; R231-E233 VanDerWaalsContact NE-OE1 3.09Å; R231-E233 IonicContact NH2-OE1 3.08Å; R231-E233 PolarHBondContact O-N 2.91Å; R231-V234 PolarHBondContact O-N 3.45Å; R231-A235 PolarHBondContact O-N 3.2Å; R231-A235 VanDerWaalsContact O-N 3.09Å | ||
| 232 | Y | 90.9 | Very high | 89.9 | Confident | 65 Ų | 65 | 58.5 Ų | 58.5 | 26% | 0.255 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.3 | -25.2 | -177.8 | -61 | -60.6 | 0 | 0 | 0 | 113.1 | A227 G230 V234 V236 V267 D270 Q271 | A227-Y232 HydrophobicContact CB-CE1 4.19Å; G230-Y232 WeakPolarHBondContact O-CD2 3.35Å; G230-Y232 PolarHBondContact O-N 3.26Å; Y232-V234 PolarHBondContact O-N 3.38Å; Y232-V236 WeakPolarHBondContact O-CB 3.41Å; Y232-V236 WeakPolarHBondContact O-CG2 3.35Å; Y232-V236 PolarHBondContact O-N 3.47Å; Y232-V236 VanDerWaalsContact O-N 3.08Å; Y232-V267 HydrophobicContact CD1-CG1 3.91Å; Y232-V267 HydrophobicContact CE1-CG1 4.43Å; Y232-D270 HydrophobicContact CE1-CB 4.29Å; Y232-Q271 HydrophobicContact CD1-CG 3.7Å; Y232-Q271 HydrophobicContact CD2-CG 3.74Å; Y232-Q271 HydrophobicContact CE1-CG 4Å; Y232-Q271 HydrophobicContact CE2-CG 4.04Å; Y232-Q271 HydrophobicContact CG-CG 3.54Å |
| 233 | E | 89.1 | Confident | 90 | Very high | 114 Ų | 114 | 56.4 Ų | 56.4 | 53% | 0.533 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.6 | -26.1 | 174.7 | 76.1 | -64.5 | 156.6 | 0 | 0 | 113.4 | R231 P237 | R231-E233 WeakPolarHBondContact CA-OE1 3.47Å; R231-E233 WeakPolarHBondContact CA-OE2 3.38Å; R231-E233 VanDerWaalsContact CB-OE1 3.29Å; R231-E233 WeakPolarHBondContact CB-OE1 3.35Å; R231-E233 WeakPolarHBondContact CG-OE1 3.46Å; R231-E233 IonicContact CZ-OE1 3.76Å; R231-E233 IonicContact NE-OE1 3.16Å; R231-E233 PolarHBondContact NE-OE1 2.82Å; R231-E233 VanDerWaalsContact NE-OE1 3.09Å; R231-E233 IonicContact NH2-OE1 3.08Å; R231-E233 PolarHBondContact O-N 2.91Å; E233-P237 WeakPolarHBondContact O-CD 3.21Å; E233-P237 VanDerWaalsContact O-CG 3.24Å; E233-P237 WeakPolarHBondContact O-CG 3.44Å |
| 234 | V | 89.8 | Confident | 90.2 | Very high | 43 Ų | 43 | 60.7 Ų | 60.7 | 26% | 0.261 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -97.4 | -42.5 | 173.4 | -176.4 | 0 | 0 | 0 | 0 | 111.1 | Y226 R231 Y232 V236 P237 L238 | Y226-V234 HydrophobicContact CD2-CB 4.25Å; Y226-V234 HydrophobicContact CD2-CG1 3.69Å; Y226-V234 HydrophobicContact CE2-CG1 3.55Å; Y226-V234 HydrophobicContact CG-CB 4.37Å; Y226-V234 HydrophobicContact CG-CG1 4.24Å; R231-V234 PolarHBondContact O-N 3.45Å; Y232-V234 PolarHBondContact O-N 3.38Å; V234-V236 PolarHBondContact O-N 3.33Å; V234-P237 WeakPolarHBondContact O-CD 3.34Å; V234-L238 WeakPolarHBondContact O-CB 3.42Å; V234-L238 PolarHBondContact O-N 2.98Å; V234-L238 VanDerWaalsContact O-N 3.16Å |
| 235 | A | 90.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.7 | -39.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R231 C239 V267 | R231-A235 PolarHBondContact O-N 3.2Å; R231-A235 VanDerWaalsContact O-N 3.09Å; A235-C239 PolarHBondContact O-N 3Å; A235-C239 VanDerWaalsContact O-N 3.1Å; A235-C239 PolarHBondContact O-SG 2.97Å; A235-V267 HydrophobicContact CB-CG1 4.13Å |
| 236 | V | 92.1 | Very high | 90.5 | Very high | 19 Ų | 19 | 55.7 Ų | 55.7 | 12% | 0.115 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.9 | -50.8 | -177.3 | 171.9 | 0 | 0 | 0 | 0 | 112.5 | Y232 V234 L238 C239 K240 L264 V267 Y268 Q271 | Y232-V236 WeakPolarHBondContact O-CB 3.41Å; Y232-V236 WeakPolarHBondContact O-CG2 3.35Å; Y232-V236 PolarHBondContact O-N 3.47Å; Y232-V236 VanDerWaalsContact O-N 3.08Å; V234-V236 PolarHBondContact O-N 3.33Å; V236-L238 VanDerWaalsContact C-N 3.31Å; V236-L238 PolarHBondContact O-N 2.87Å; V236-C239 PolarHBondContact O-N 3.02Å; V236-K240 HydrophobicContact CG1-CD 4.45Å; V236-K240 WeakPolarHBondContact O-CG 3.44Å; V236-K240 PolarHBondContact O-N 2.96Å; V236-L264 HydrophobicContact CG1-CD1 4.24Å; V236-L264 HydrophobicContact CG2-CD1 4.3Å; V236-V267 HydrophobicContact CG2-CG1 3.72Å; V236-Y268 HydrophobicContact CG1-CE1 3.87Å; V236-Y268 WeakPolarHBondContact CG1-OH 3.27Å; V236-Y268 HydrophobicContact CG2-CD1 4.26Å; V236-Y268 HydrophobicContact CG2-CE1 3.77Å; V236-Q271 VanDerWaalsContact CG2-NE2 3.3Å |
| 237 | P | 93.1 | Very high | 90.5 | Very high | 72 Ų | 72 | 56.5 Ų | 56.5 | 47% | 0.468 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 175.1 | -26.6 | 37.3 | 0 | 0 | 0 | 112.7 | E233 V234 C239 K240 Q241 | E233-P237 WeakPolarHBondContact O-CD 3.21Å; E233-P237 VanDerWaalsContact O-CG 3.24Å; E233-P237 WeakPolarHBondContact O-CG 3.44Å; V234-P237 WeakPolarHBondContact O-CD 3.34Å; P237-C239 VanDerWaalsContact C-N 3.34Å; P237-C239 PolarHBondContact O-N 2.78Å; P237-K240 PolarHBondContact O-N 3.22Å; P237-K240 VanDerWaalsContact O-N 3.13Å; P237-Q241 WeakPolarHBondContact O-CB 3.46Å; P237-Q241 PolarHBondContact O-N 3.04Å |
| 238 | L | 91.6 | Very high | 90.7 | Very high | 49 Ų | 49 | 62.9 Ų | 62.9 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 177.2 | -178.8 | 62.6 | 0 | 0 | 0 | 112.3 | L219 L222 V223 Y226 V234 V236 A242 | L219-L238 HydrophobicContact CD1-CD1 3.69Å; L219-L238 HydrophobicContact CD1-CD2 4.05Å; L219-L238 HydrophobicContact CD1-CG 3.69Å; L222-L238 HydrophobicContact CD2-CD2 3.93Å; L222-L238 HydrophobicContact CG-CD2 4.11Å; V223-L238 HydrophobicContact CG2-CD2 3.93Å; V223-L238 HydrophobicContact CG2-CG 4.25Å; Y226-L238 HydrophobicContact CD2-CD2 4.26Å; Y226-L238 HydrophobicContact CE2-CD2 4.2Å; V234-L238 WeakPolarHBondContact O-CB 3.42Å; V234-L238 PolarHBondContact O-N 2.98Å; V234-L238 VanDerWaalsContact O-N 3.16Å; V236-L238 VanDerWaalsContact C-N 3.31Å; V236-L238 PolarHBondContact O-N 2.87Å; L238-A242 WeakPolarHBondContact O-CB 3.38Å; L238-A242 PolarHBondContact O-N 3.17Å |
| 239 | C | 91.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 173.3 | -73 | 0 | 0 | 0 | 0 | 113 | V223 A235 V236 P237 L243 M260 L264 | V223-C239 WeakPolarHBondContact CG1-SG 3.4Å; V223-C239 VanDerWaalsContact CG2-SG 3.53Å; A235-C239 PolarHBondContact O-N 3Å; A235-C239 VanDerWaalsContact O-N 3.1Å; A235-C239 PolarHBondContact O-SG 2.97Å; V236-C239 PolarHBondContact O-N 3.02Å; P237-C239 VanDerWaalsContact C-N 3.34Å; P237-C239 PolarHBondContact O-N 2.78Å; C239-L243 WeakPolarHBondContact O-CB 3.43Å; C239-L243 WeakPolarHBondContact O-CG 3.2Å; C239-L243 PolarHBondContact O-N 3.39Å; C239-M260 HydrophobicContact CB-CE 4.5Å; C239-L264 HydrophobicContact CB-CB 4.08Å; C239-L264 HydrophobicContact CB-CD1 3.83Å; C239-L264 HydrophobicContact CB-CD2 4.5Å; C239-L264 HydrophobicContact CB-CG 4.34Å |
| 240 | K | 92.8 | Very high | 90.6 | Very high | 102 Ų | 102 | 61 Ų | 61 | 44% | 0.443 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.6 | -48.3 | -179.4 | -75.4 | -172.8 | 171.6 | -163.4 | 0 | 111.8 | V236 P237 A242 L243 E244 L264 Y268 | V236-K240 HydrophobicContact CG1-CD 4.45Å; V236-K240 WeakPolarHBondContact O-CG 3.44Å; V236-K240 PolarHBondContact O-N 2.96Å; P237-K240 PolarHBondContact O-N 3.22Å; P237-K240 VanDerWaalsContact O-N 3.13Å; K240-A242 VanDerWaalsContact C-N 3.31Å; K240-A242 PolarHBondContact O-N 3.33Å; K240-L243 WeakPolarHBondContact O-CB 3.41Å; K240-L243 PolarHBondContact O-N 2.98Å; K240-E244 WeakPolarHBondContact O-CG 3.3Å; K240-E244 PolarHBondContact O-N 3.2Å; K240-L264 HydrophobicContact CG-CD2 4.31Å; K240-Y268 WeakPolarHBondContact CE-OH 3.48Å |
| 241 | Q | 91.9 | Very high | 90.7 | Very high | 97 Ų | 97 | 60.9 Ų | 60.9 | 45% | 0.453 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -54.5 | -49.4 | 175.5 | -176.9 | 60.4 | 53.9 | 0 | 0 | 111 | P237 L243 E244 D245 | P237-Q241 WeakPolarHBondContact O-CB 3.46Å; P237-Q241 PolarHBondContact O-N 3.04Å; Q241-L243 VanDerWaalsContact C-N 3.31Å; Q241-L243 PolarHBondContact O-N 3.1Å; Q241-E244 PolarHBondContact O-N 3.33Å; Q241-D245 VanDerWaalsContact NE2-CG 3.31Å; Q241-D245 PolarHBondContact NE2-OD1 3.34Å; Q241-D245 VanDerWaalsContact NE2-OD1 3.07Å; Q241-D245 PolarHBondContact NE2-OD2 3.15Å; Q241-D245 VanDerWaalsContact O-CG 3.23Å; Q241-D245 PolarHBondContact O-N 3.43Å |
| 242 | A | 91 | Very high | 90.6 | Very high | 15 Ų | 15 | 59.5 Ų | 59.5 | 12% | 0.124 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.1 | -28.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | L219 L238 K240 L246 M260 | L219-A242 HydrophobicContact CD1-CB 4.44Å; L219-A242 HydrophobicContact CD2-CB 3.3Å; L219-A242 HydrophobicContact CG-CB 4.46Å; L238-A242 WeakPolarHBondContact O-CB 3.38Å; L238-A242 PolarHBondContact O-N 3.17Å; K240-A242 VanDerWaalsContact C-N 3.31Å; K240-A242 PolarHBondContact O-N 3.33Å; A242-L246 WeakPolarHBondContact O-CB 3.46Å; A242-L246 WeakPolarHBondContact O-CD1 3.48Å; A242-L246 WeakPolarHBondContact O-CG 3.31Å; A242-L246 PolarHBondContact O-N 2.97Å; A242-L246 VanDerWaalsContact O-N 3.08Å; A242-M260 HydrophobicContact CB-CE 4.1Å |
| 243 | L | 91.6 | Very high | 90.5 | Very high | 13 Ų | 13 | 60 Ų | 60 | 7% | 0.068 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.8 | -49.9 | 170 | -83 | 164.2 | 0 | 0 | 0 | 110.7 | C239 K240 Q241 D245 L246 E247 V257 M260 L261 L264 | C239-L243 WeakPolarHBondContact O-CB 3.43Å; C239-L243 WeakPolarHBondContact O-CG 3.2Å; C239-L243 PolarHBondContact O-N 3.39Å; K240-L243 WeakPolarHBondContact O-CB 3.41Å; K240-L243 PolarHBondContact O-N 2.98Å; Q241-L243 VanDerWaalsContact C-N 3.31Å; Q241-L243 PolarHBondContact O-N 3.1Å; L243-D245 VanDerWaalsContact C-N 3.28Å; L243-D245 PolarHBondContact O-N 2.9Å; L243-L246 PolarHBondContact O-N 2.92Å; L243-E247 WeakPolarHBondContact O-CB 3.49Å; L243-E247 WeakPolarHBondContact O-CG 3.2Å; L243-E247 PolarHBondContact O-N 3.14Å; L243-V257 HydrophobicContact CD2-CG1 3.99Å; L243-M260 HydrophobicContact CD2-CB 3.47Å; L243-M260 VanDerWaalsContact CD2-CB 3.47Å; L243-M260 HydrophobicContact CG-CB 3.85Å; L243-L261 HydrophobicContact CD1-CD2 4Å; L243-L261 HydrophobicContact CD2-CD2 3.97Å; L243-L261 HydrophobicContact CD2-CG 3.83Å; L243-L264 HydrophobicContact CD1-CB 4.49Å; L243-L264 HydrophobicContact CD1-CD2 3.79Å |
| 244 | E | 91.9 | Very high | 90.5 | Very high | 91 Ų | 91 | 57.3 Ų | 57.3 | 43% | 0.425 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.8 | -39.3 | 178 | -68.3 | 173.1 | -146.9 | 0 | 0 | 112.2 | K240 Q241 E247 K248 | K240-E244 WeakPolarHBondContact O-CG 3.3Å; K240-E244 PolarHBondContact O-N 3.2Å; Q241-E244 PolarHBondContact O-N 3.33Å; E244-E247 PolarHBondContact O-N 3.04Å; E244-K248 WeakPolarHBondContact O-CB 3.41Å; E244-K248 WeakPolarHBondContact O-CD 3.46Å; E244-K248 WeakPolarHBondContact O-CG 3.31Å; E244-K248 PolarHBondContact O-N 2.99Å |
| 245 | D | 90.1 | Very high | 90.3 | Very high | 67 Ų | 67 | 57.1 Ų | 57.1 | 36% | 0.358 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -73.2 | -33.8 | 178.8 | -62.5 | -27.5 | 0 | 0 | 0 | 112.4 | Q241 L243 K248 T249 | Q241-D245 VanDerWaalsContact NE2-CG 3.31Å; Q241-D245 PolarHBondContact NE2-OD1 3.34Å; Q241-D245 VanDerWaalsContact NE2-OD1 3.07Å; Q241-D245 PolarHBondContact NE2-OD2 3.15Å; Q241-D245 VanDerWaalsContact O-CG 3.23Å; Q241-D245 PolarHBondContact O-N 3.43Å; L243-D245 VanDerWaalsContact C-N 3.28Å; L243-D245 PolarHBondContact O-N 2.9Å; D245-K248 IonicContact OD1-NZ 3.32Å; D245-K248 PolarHBondContact OD1-NZ 3.49Å; D245-T249 WeakPolarHBondContact O-CB 3.39Å; D245-T249 VanDerWaalsContact O-CG2 3.29Å; D245-T249 WeakPolarHBondContact O-CG2 3.48Å; D245-T249 PolarHBondContact O-N 3.38Å; D245-T249 VanDerWaalsContact O-N 3.13Å; D245-T249 PolarHBondContact O-OG1 3.42Å |
| 246 | L | 89.4 | Confident | 90.2 | Very high | 18 Ų | 18 | 57.4 Ų | 57.4 | 9% | 0.094 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.5 | -39.6 | 170.8 | -75.4 | 169.3 | 0 | 0 | 0 | 112.4 | L216 A242 L243 T249 S250 D256 V257 M260 | L216-L246 HydrophobicContact CD1-CD1 4.44Å; L216-L246 HydrophobicContact CD2-CD1 3.93Å; L216-L246 HydrophobicContact CD2-CD2 4.3Å; A242-L246 WeakPolarHBondContact O-CB 3.46Å; A242-L246 WeakPolarHBondContact O-CD1 3.48Å; A242-L246 WeakPolarHBondContact O-CG 3.31Å; A242-L246 PolarHBondContact O-N 2.97Å; A242-L246 VanDerWaalsContact O-N 3.08Å; L243-L246 PolarHBondContact O-N 2.92Å; L246-T249 WeakPolarHBondContact CA-OG1 3.46Å; L246-T249 PolarHBondContact O-N 3.19Å; L246-T249 PolarHBondContact O-OG1 2.99Å; L246-S250 WeakPolarHBondContact O-CA 3.07Å; L246-S250 WeakPolarHBondContact O-CB 3.33Å; L246-S250 PolarHBondContact O-N 3.02Å; L246-D256 HydrophobicContact CD1-CB 4.23Å; L246-D256 HydrophobicContact CD2-CB 4.09Å; L246-V257 HydrophobicContact CB-CG2 3.89Å; L246-M260 HydrophobicContact CD1-CB 4.16Å; L246-M260 HydrophobicContact CD1-CG 3.41Å; L246-M260 VanDerWaalsContact CD1-CG 3.41Å |
| 247 | E | 91.4 | Very high | 90.1 | Very high | 73 Ų | 73 | 56.5 Ų | 56.5 | 34% | 0.341 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 177.3 | -73.8 | -177.6 | 168.6 | 0 | 0 | 111.5 | L243 E244 G251 H252 V257 | L243-E247 WeakPolarHBondContact O-CB 3.49Å; L243-E247 WeakPolarHBondContact O-CG 3.2Å; L243-E247 PolarHBondContact O-N 3.14Å; E244-E247 PolarHBondContact O-N 3.04Å; E247-G251 VanDerWaalsContact O-CA 3.23Å; E247-G251 WeakPolarHBondContact O-CA 3.46Å; E247-G251 PolarHBondContact O-N 3.5Å; E247-H252 HydrophobicContact CG-CB 4.24Å; E247-H252 IonicContact OE1-CE1 2.9Å; E247-H252 IonicContact OE1-CG 2.74Å; E247-H252 IonicContact OE1-ND1 3.82Å; E247-H252 PolarHBondContact OE1-ND1 2.77Å; E247-V257 HydrophobicContact CG-CG1 4.13Å; E247-V257 HydrophobicContact CG-CG2 4.08Å |
| 248 | K | 90.6 | Very high | 90 | Very high | 145 Ų | 145 | 53.1 Ų | 53.1 | 63% | 0.63 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.9 | -39.4 | 173.9 | -71.4 | 164.5 | -162.9 | 157.4 | 0 | 113.2 | E244 D245 | E244-K248 WeakPolarHBondContact O-CB 3.41Å; E244-K248 WeakPolarHBondContact O-CD 3.46Å; E244-K248 WeakPolarHBondContact O-CG 3.31Å; E244-K248 PolarHBondContact O-N 2.99Å; D245-K248 IonicContact OD1-NZ 3.32Å; D245-K248 PolarHBondContact OD1-NZ 3.49Å |
| 249 | T | 88.2 | Confident | 89.9 | Confident | 111 Ų | 111 | 51.5 Ų | 51.5 | 68% | 0.681 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -88.5 | -35.2 | -173.4 | 51.9 | 0 | 0 | 0 | 0 | 114.1 | D245 L246 | D245-T249 WeakPolarHBondContact O-CB 3.39Å; D245-T249 VanDerWaalsContact O-CG2 3.29Å; D245-T249 WeakPolarHBondContact O-CG2 3.48Å; D245-T249 PolarHBondContact O-N 3.38Å; D245-T249 VanDerWaalsContact O-N 3.13Å; D245-T249 PolarHBondContact O-OG1 3.42Å; L246-T249 WeakPolarHBondContact CA-OG1 3.46Å; L246-T249 PolarHBondContact O-N 3.19Å; L246-T249 PolarHBondContact O-OG1 2.99Å |
| 250 | S | 85.6 | Confident | 89.8 | Confident | 47 Ų | 47 | 51.5 Ų | 51.5 | 33% | 0.329 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -121.8 | -9.9 | -169.1 | -50.1 | 0 | 0 | 0 | 0 | 113.6 | L246 | L246-S250 WeakPolarHBondContact O-CA 3.07Å; L246-S250 WeakPolarHBondContact O-CB 3.33Å; L246-S250 PolarHBondContact O-N 3.02Å |
| 251 | G | 88.7 | Confident | 89.9 | Confident | 33 Ų | 33 | 47 Ų | 47 | 34% | 0.34 | 25% | 0.252 | S | S | . | . | trans | 79.3 | 152.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E247 D253 H254 | E247-G251 VanDerWaalsContact O-CA 3.23Å; E247-G251 WeakPolarHBondContact O-CA 3.46Å; E247-G251 PolarHBondContact O-N 3.5Å; G251-D253 VanDerWaalsContact C-N 3.3Å; G251-D253 PolarHBondContact O-N 3.21Å; G251-H254 VanDerWaalsContact O-CB 3.3Å; G251-H254 WeakPolarHBondContact O-CB 3.36Å; G251-H254 PolarHBondContact O-N 3.38Å | ||
| 252 | H | 90 | Very high | 89.8 | Confident | 75 Ų | 75 | 42.9 Ų | 42.9 | 35% | 0.347 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -33 | -177.7 | 177.3 | 84 | 0 | 0 | 0 | 113.7 | E247 H254 D283 I287 | E247-H252 HydrophobicContact CG-CB 4.24Å; E247-H252 IonicContact OE1-CE1 2.9Å; E247-H252 IonicContact OE1-CG 2.74Å; E247-H252 IonicContact OE1-ND1 3.82Å; E247-H252 PolarHBondContact OE1-ND1 2.77Å; H252-H254 PolarHBondContact O-N 3.4Å; H252-H254 VanDerWaalsContact O-N 3.08Å; H252-D283 IonicContact CE1-OD1 2.78Å; H252-D283 IonicContact CE1-OD2 2.69Å; H252-D283 PolarHBondContact CE1-OD2 3.43Å; H252-D283 IonicContact NE2-OD1 2.64Å; H252-D283 IonicContact NE2-OD2 3.38Å; H252-I287 WeakPolarHBondContact O-CD1 3.21Å |
| 253 | D | 90.1 | Very high | 89.8 | Confident | 77 Ų | 77 | 42.4 Ų | 42.4 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | 6.8 | 176.5 | -76.9 | -57.7 | 0 | 0 | 0 | 114.4 | G251 I287 K290 T291 | G251-D253 VanDerWaalsContact C-N 3.3Å; G251-D253 PolarHBondContact O-N 3.21Å; D253-I287 WeakPolarHBondContact O-CG2 3.39Å; D253-K290 WeakPolarHBondContact OD1-CD 3.37Å; D253-K290 WeakPolarHBondContact OD1-CE 3.3Å; D253-K290 IonicContact OD1-NZ 2.8Å; D253-K290 PolarHBondContact OD1-NZ 3.4Å; D253-K290 IonicContact OD2-NZ 3.52Å; D253-K290 PolarHBondContact OD2-NZ 3.48Å; D253-T291 WeakPolarHBondContact O-CG2 3.33Å |
| 254 | H | 88 | Confident | 89.8 | Confident | 56 Ų | 56 | 42 Ų | 42 | 26% | 0.259 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -82.3 | 140.4 | -176.4 | -166.1 | -83.6 | 0 | 0 | 0 | 112.9 | R215 G251 H252 D256 V257 A258 | R215-H254 PolarHBondContact NH2-CE1 2.93Å; G251-H254 VanDerWaalsContact O-CB 3.3Å; G251-H254 WeakPolarHBondContact O-CB 3.36Å; G251-H254 PolarHBondContact O-N 3.38Å; H252-H254 PolarHBondContact O-N 3.4Å; H252-H254 VanDerWaalsContact O-N 3.08Å; H254-D256 IonicContact CE1-OD1 3.94Å; H254-D256 PolarHBondContact CE1-OD1 3.14Å; H254-D256 WeakPolarHBondContact ND1-CB 3.08Å; H254-D256 PolarHBondContact ND1-N 2.78Å; H254-D256 VanDerWaalsContact ND1-N 3.19Å; H254-D256 IonicContact ND1-OD1 3.09Å; H254-D256 PolarHBondContact ND1-OD1 2.68Å; H254-D256 PolarHBondContact O-N 2.69Å; H254-D256 VanDerWaalsContact O-N 3.09Å; H254-V257 HydrophobicContact CB-CG2 4.33Å; H254-V257 WeakPolarHBondContact O-CB 3.41Å; H254-V257 PolarHBondContact O-N 3.41Å; H254-A258 PolarHBondContact O-N 3.39Å |
| 255 | P | 86.9 | Confident | 89.8 | Confident | 39 Ų | 39 | 37.8 Ų | 37.8 | 25% | 0.253 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.6 | -24 | -179 | 22.6 | -35.3 | 0 | 0 | 0 | 115.2 | T259 | P255-T259 WeakPolarHBondContact O-CB 3.26Å; P255-T259 PolarHBondContact O-N 3.2Å; P255-T259 PolarHBondContact O-OG1 3.17Å |
| 256 | D | 87.5 | Confident | 89.8 | Confident | 7 Ų | 7 | 36.8 Ų | 36.8 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.3 | -40.8 | 170.1 | -77.3 | 54.2 | 0 | 0 | 0 | 112.9 | R215 L216 L246 H254 T259 M260 | R215-D256 IonicContact CZ-OD1 3.26Å; R215-D256 IonicContact CZ-OD2 2.73Å; R215-D256 VanDerWaalsContact CZ-OD2 3.25Å; R215-D256 IonicContact NE-OD2 3.87Å; R215-D256 PolarHBondContact NE-OD2 2.97Å; R215-D256 IonicContact NH2-OD1 2.87Å; R215-D256 PolarHBondContact NH2-OD1 3.04Å; R215-D256 IonicContact NH2-OD2 3.49Å; R215-D256 PolarHBondContact NH2-OD2 3.49Å; L216-D256 HydrophobicContact CD1-CB 3.84Å; L216-D256 WeakPolarHBondContact CD1-OD2 3.45Å; L246-D256 HydrophobicContact CD1-CB 4.23Å; L246-D256 HydrophobicContact CD2-CB 4.09Å; H254-D256 IonicContact CE1-OD1 3.94Å; H254-D256 PolarHBondContact CE1-OD1 3.14Å; H254-D256 WeakPolarHBondContact ND1-CB 3.08Å; H254-D256 PolarHBondContact ND1-N 2.78Å; H254-D256 VanDerWaalsContact ND1-N 3.19Å; H254-D256 IonicContact ND1-OD1 3.09Å; H254-D256 PolarHBondContact ND1-OD1 2.68Å; H254-D256 PolarHBondContact O-N 2.69Å; H254-D256 VanDerWaalsContact O-N 3.09Å; D256-T259 CarbonylContact O-C 3.58Å; D256-T259 WeakPolarHBondContact O-CA 3.29Å; D256-T259 WeakPolarHBondContact O-CB 3.47Å; D256-T259 PolarHBondContact O-N 3.11Å; D256-M260 PolarHBondContact O-N 3.02Å |
| 257 | V | 90.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -48 | 176 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | L243 L246 E247 H254 T259 M260 L261 I287 | L243-V257 HydrophobicContact CD2-CG1 3.99Å; L246-V257 HydrophobicContact CB-CG2 3.89Å; E247-V257 HydrophobicContact CG-CG1 4.13Å; E247-V257 HydrophobicContact CG-CG2 4.08Å; H254-V257 HydrophobicContact CB-CG2 4.33Å; H254-V257 WeakPolarHBondContact O-CB 3.41Å; H254-V257 PolarHBondContact O-N 3.41Å; V257-T259 PolarHBondContact O-N 3.43Å; V257-T259 VanDerWaalsContact O-N 3.17Å; V257-M260 PolarHBondContact O-N 3.05Å; V257-M260 VanDerWaalsContact O-N 3.14Å; V257-L261 HydrophobicContact CG1-CD1 3.96Å; V257-L261 HydrophobicContact CG1-CG 4.22Å; V257-L261 WeakPolarHBondContact O-CB 3.47Å; V257-L261 VanDerWaalsContact O-CG 3.28Å; V257-L261 WeakPolarHBondContact O-CG 3.19Å; V257-L261 PolarHBondContact O-N 2.95Å; V257-I287 HydrophobicContact CG1-CD1 4.18Å |
| 258 | A | 91.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58 | -31 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | H254 N262 A284 I287 R288 | H254-A258 PolarHBondContact O-N 3.39Å; A258-N262 WeakPolarHBondContact O-CB 3.37Å; A258-N262 PolarHBondContact O-N 3.02Å; A258-N262 VanDerWaalsContact O-N 3.11Å; A258-A284 HydrophobicContact CB-CB 4.11Å; A258-A284 WeakPolarHBondContact O-CB 3.36Å; A258-I287 HydrophobicContact CB-CB 3.95Å; A258-I287 HydrophobicContact CB-CD1 4.38Å; A258-I287 HydrophobicContact CB-CG2 3.77Å; A258-R288 HydrophobicContact CB-CG 3.78Å |
| 259 | T | 89.1 | Confident | 89.8 | Confident | 16 Ų | 16 | 30.2 Ų | 30.2 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -73.7 | -43.9 | 176.7 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | L216 P255 D256 V257 N262 I263 R288 | L216-T259 HydrophobicContact CD1-CG2 4.35Å; P255-T259 WeakPolarHBondContact O-CB 3.26Å; P255-T259 PolarHBondContact O-N 3.2Å; P255-T259 PolarHBondContact O-OG1 3.17Å; D256-T259 CarbonylContact O-C 3.58Å; D256-T259 WeakPolarHBondContact O-CA 3.29Å; D256-T259 WeakPolarHBondContact O-CB 3.47Å; D256-T259 PolarHBondContact O-N 3.11Å; V257-T259 PolarHBondContact O-N 3.43Å; V257-T259 VanDerWaalsContact O-N 3.17Å; T259-N262 PolarHBondContact O-N 2.93Å; T259-I263 HydrophobicContact CG2-CD1 4.22Å; T259-I263 WeakPolarHBondContact O-CD1 3.41Å; T259-I263 VanDerWaalsContact O-CG1 3.26Å; T259-I263 WeakPolarHBondContact O-CG1 3.41Å; T259-I263 PolarHBondContact O-N 3.1Å; T259-R288 PolarHBondContact OG1-NH2 3.27Å |
| 260 | M | 90.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68 | -37.7 | 174.1 | -74.2 | -54.3 | -58.4 | 0 | 0 | 113.2 | L216 L219 C239 A242 L243 L246 D256 V257 N262 I263 L264 | L216-M260 HydrophobicContact CD1-CG 3.95Å; L216-M260 HydrophobicContact CD1-SD 4.24Å; L216-M260 HydrophobicContact CD2-CG 4.26Å; L216-M260 HydrophobicContact CD2-SD 4.27Å; L219-M260 HydrophobicContact CD2-CE 3.59Å; L219-M260 HydrophobicContact CD2-SD 3.83Å; L219-M260 HydrophobicContact CG-CE 4.34Å; C239-M260 HydrophobicContact CB-CE 4.5Å; A242-M260 HydrophobicContact CB-CE 4.1Å; L243-M260 HydrophobicContact CD2-CB 3.47Å; L243-M260 VanDerWaalsContact CD2-CB 3.47Å; L243-M260 HydrophobicContact CG-CB 3.85Å; L246-M260 HydrophobicContact CD1-CB 4.16Å; L246-M260 HydrophobicContact CD1-CG 3.41Å; L246-M260 VanDerWaalsContact CD1-CG 3.41Å; D256-M260 PolarHBondContact O-N 3.02Å; V257-M260 PolarHBondContact O-N 3.05Å; V257-M260 VanDerWaalsContact O-N 3.14Å; M260-N262 VanDerWaalsContact C-N 3.34Å; M260-N262 PolarHBondContact O-N 2.94Å; M260-I263 WeakPolarHBondContact O-CB 3.48Å; M260-I263 PolarHBondContact O-N 3.26Å; M260-I263 VanDerWaalsContact O-N 3.14Å; M260-I263 HydrophobicContact SD-CD1 3.69Å; M260-L264 PolarHBondContact O-N 2.85Å |
| 261 | L | 93.6 | Very high | 90 | Very high | 6 Ų | 6 | 27.7 Ų | 27.7 | 3% | 0.031 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.7 | -44.1 | 172 | -73.3 | 172 | 0 | 0 | 0 | 111 | L243 V257 I263 L264 A265 L280 D283 A284 I287 | L243-L261 HydrophobicContact CD1-CD2 4Å; L243-L261 HydrophobicContact CD2-CD2 3.97Å; L243-L261 HydrophobicContact CD2-CG 3.83Å; V257-L261 HydrophobicContact CG1-CD1 3.96Å; V257-L261 HydrophobicContact CG1-CG 4.22Å; V257-L261 WeakPolarHBondContact O-CB 3.47Å; V257-L261 VanDerWaalsContact O-CG 3.28Å; V257-L261 WeakPolarHBondContact O-CG 3.19Å; V257-L261 PolarHBondContact O-N 2.95Å; L261-I263 VanDerWaalsContact C-N 3.34Å; L261-I263 PolarHBondContact O-N 3.39Å; L261-L264 PolarHBondContact O-N 3.34Å; L261-A265 VanDerWaalsContact O-CB 3.32Å; L261-A265 WeakPolarHBondContact O-CB 3.38Å; L261-A265 PolarHBondContact O-N 3.09Å; L261-L280 HydrophobicContact CD2-CD2 3.64Å; L261-D283 HydrophobicContact CD1-CB 4.2Å; L261-A284 HydrophobicContact CB-CB 3.93Å; L261-A284 HydrophobicContact CD1-CB 4.38Å; L261-I287 HydrophobicContact CD1-CD1 3.64Å |
| 262 | N | 90.8 | Very high | 90.1 | Very high | 12 Ų | 12 | 31.1 Ų | 31.1 | 6% | 0.064 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.2 | -36 | 174.2 | 173.6 | 91.5 | 0 | 0 | 0 | 112.4 | A258 T259 M260 L266 L281 N305 | A258-N262 WeakPolarHBondContact O-CB 3.37Å; A258-N262 PolarHBondContact O-N 3.02Å; A258-N262 VanDerWaalsContact O-N 3.11Å; T259-N262 PolarHBondContact O-N 2.93Å; M260-N262 VanDerWaalsContact C-N 3.34Å; M260-N262 PolarHBondContact O-N 2.94Å; N262-L266 WeakPolarHBondContact O-CG 3.42Å; N262-L266 PolarHBondContact O-N 3.28Å; N262-L281 HydrophobicContact CB-CD2 3.9Å; N262-L281 WeakPolarHBondContact OD1-CD2 3.42Å; N262-N305 PolarHBondContact OD1-ND2 3.39Å |
| 263 | I | 89.6 | Confident | 90.2 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.5 | -50.4 | 174.7 | -68.5 | 161.5 | 0 | 0 | 0 | 110.7 | H220 V223 T259 M260 L261 A265 L266 V267 | H220-I263 HydrophobicContact CB-CD1 4.03Å; H220-I263 WeakPolarHBondContact ND1-CD1 3.45Å; H220-I263 VanDerWaalsContact ND1-CG1 3.34Å; H220-I263 WeakPolarHBondContact ND1-CG1 3.5Å; V223-I263 HydrophobicContact CB-CG2 4.34Å; V223-I263 HydrophobicContact CG1-CG2 3.68Å; T259-I263 HydrophobicContact CG2-CD1 4.22Å; T259-I263 WeakPolarHBondContact O-CD1 3.41Å; T259-I263 VanDerWaalsContact O-CG1 3.26Å; T259-I263 WeakPolarHBondContact O-CG1 3.41Å; T259-I263 PolarHBondContact O-N 3.1Å; M260-I263 WeakPolarHBondContact O-CB 3.48Å; M260-I263 PolarHBondContact O-N 3.26Å; M260-I263 VanDerWaalsContact O-N 3.14Å; M260-I263 HydrophobicContact SD-CD1 3.69Å; L261-I263 VanDerWaalsContact C-N 3.34Å; L261-I263 PolarHBondContact O-N 3.39Å; I263-A265 VanDerWaalsContact C-N 3.27Å; I263-A265 PolarHBondContact O-N 2.93Å; I263-L266 WeakPolarHBondContact O-CB 3.46Å; I263-L266 PolarHBondContact O-N 3.18Å; I263-L266 VanDerWaalsContact O-N 3.09Å; I263-V267 PolarHBondContact O-N 3.4Å; I263-V267 VanDerWaalsContact O-N 3.15Å |
| 264 | L | 92.7 | Very high | 90.2 | Very high | 4 Ų | 4 | 29.7 Ų | 29.7 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.9 | -36.4 | 177.2 | 179.2 | 58.1 | 0 | 0 | 0 | 112 | V236 C239 K240 L243 M260 L261 L266 V267 Y268 L280 | V236-L264 HydrophobicContact CG1-CD1 4.24Å; V236-L264 HydrophobicContact CG2-CD1 4.3Å; C239-L264 HydrophobicContact CB-CB 4.08Å; C239-L264 HydrophobicContact CB-CD1 3.83Å; C239-L264 HydrophobicContact CB-CD2 4.5Å; C239-L264 HydrophobicContact CB-CG 4.34Å; K240-L264 HydrophobicContact CG-CD2 4.31Å; L243-L264 HydrophobicContact CD1-CB 4.49Å; L243-L264 HydrophobicContact CD1-CD2 3.79Å; M260-L264 PolarHBondContact O-N 2.85Å; L261-L264 PolarHBondContact O-N 3.34Å; L264-L266 VanDerWaalsContact C-N 3.33Å; L264-L266 PolarHBondContact O-N 3.2Å; L264-V267 WeakPolarHBondContact O-CB 3.47Å; L264-V267 PolarHBondContact O-N 2.89Å; L264-Y268 HydrophobicContact CD1-CD2 4.29Å; L264-Y268 HydrophobicContact CD1-CE1 4.29Å; L264-Y268 HydrophobicContact CD1-CE2 3.95Å; L264-Y268 HydrophobicContact CD2-CE2 4.14Å; L264-Y268 HydrophobicContact CG-CD2 4.14Å; L264-Y268 HydrophobicContact CG-CE2 3.89Å; L264-Y268 PolarHBondContact O-N 3.42Å; L264-L280 HydrophobicContact CB-CD1 4.02Å; L264-L280 HydrophobicContact CD2-CD1 3.75Å; L264-L280 HydrophobicContact CD2-CD2 4.43Å; L264-L280 HydrophobicContact CG-CD1 3.56Å |
| 265 | A | 91.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.3 | -34.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L261 I263 Y268 R269 A277 L280 L281 | L261-A265 VanDerWaalsContact O-CB 3.32Å; L261-A265 WeakPolarHBondContact O-CB 3.38Å; L261-A265 PolarHBondContact O-N 3.09Å; I263-A265 VanDerWaalsContact C-N 3.27Å; I263-A265 PolarHBondContact O-N 2.93Å; A265-Y268 PolarHBondContact O-N 2.82Å; A265-R269 WeakPolarHBondContact O-CB 3.32Å; A265-R269 PolarHBondContact O-N 3.37Å; A265-A277 HydrophobicContact CB-CB 4.29Å; A265-A277 VanDerWaalsContact O-CB 3.3Å; A265-A277 WeakPolarHBondContact O-CB 3.49Å; A265-L280 HydrophobicContact CB-CB 4.03Å; A265-L280 HydrophobicContact CB-CD1 4.32Å; A265-L281 HydrophobicContact CB-CD1 4.41Å; A265-L281 HydrophobicContact CB-CD2 3.71Å; A265-L281 HydrophobicContact CB-CG 3.62Å |
| 266 | L | 89.1 | Confident | 90.5 | Very high | 47 Ų | 47 | 36.2 Ų | 36.2 | 25% | 0.246 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.7 | -42.7 | 172.5 | -65.4 | 168 | 0 | 0 | 0 | 110.9 | N262 I263 L264 Y268 R269 D270 | N262-L266 WeakPolarHBondContact O-CG 3.42Å; N262-L266 PolarHBondContact O-N 3.28Å; I263-L266 WeakPolarHBondContact O-CB 3.46Å; I263-L266 PolarHBondContact O-N 3.18Å; I263-L266 VanDerWaalsContact O-N 3.09Å; L264-L266 VanDerWaalsContact C-N 3.33Å; L264-L266 PolarHBondContact O-N 3.2Å; L266-Y268 VanDerWaalsContact C-N 3.33Å; L266-Y268 PolarHBondContact O-N 2.96Å; L266-R269 VanDerWaalsContact CD2-NH1 3.25Å; L266-R269 WeakPolarHBondContact O-CB 3.44Å; L266-R269 PolarHBondContact O-N 3.48Å; L266-D270 VanDerWaalsContact O-CG 3.27Å; L266-D270 PolarHBondContact O-N 3.03Å |
| 267 | V | 91.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.5 | -39 | 175.7 | 179.1 | 0 | 0 | 0 | 0 | 111.7 | V223 A227 Y232 A235 V236 I263 L264 Q271 | V223-V267 HydrophobicContact CG1-CG2 3.62Å; A227-V267 HydrophobicContact CB-CG2 4.29Å; Y232-V267 HydrophobicContact CD1-CG1 3.91Å; Y232-V267 HydrophobicContact CE1-CG1 4.43Å; A235-V267 HydrophobicContact CB-CG1 4.13Å; V236-V267 HydrophobicContact CG2-CG1 3.72Å; I263-V267 PolarHBondContact O-N 3.4Å; I263-V267 VanDerWaalsContact O-N 3.15Å; L264-V267 WeakPolarHBondContact O-CB 3.47Å; L264-V267 PolarHBondContact O-N 2.89Å; V267-Q271 PolarHBondContact O-N 3.14Å; V267-Q271 PolarHBondContact O-NE2 3.06Å |
| 268 | Y | 92.4 | Very high | 90.8 | Very high | 20 Ų | 20 | 36 Ų | 36 | 8% | 0.078 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -74.3 | -33.4 | 173.8 | -75.7 | -28 | 0 | 0 | 0 | 113.9 | V236 K240 L264 A265 L266 D270 Q271 N272 K273 E276 L280 | V236-Y268 HydrophobicContact CG1-CE1 3.87Å; V236-Y268 WeakPolarHBondContact CG1-OH 3.27Å; V236-Y268 HydrophobicContact CG2-CD1 4.26Å; V236-Y268 HydrophobicContact CG2-CE1 3.77Å; K240-Y268 WeakPolarHBondContact CE-OH 3.48Å; L264-Y268 HydrophobicContact CD1-CD2 4.29Å; L264-Y268 HydrophobicContact CD1-CE1 4.29Å; L264-Y268 HydrophobicContact CD1-CE2 3.95Å; L264-Y268 HydrophobicContact CD2-CE2 4.14Å; L264-Y268 HydrophobicContact CG-CD2 4.14Å; L264-Y268 HydrophobicContact CG-CE2 3.89Å; L264-Y268 PolarHBondContact O-N 3.42Å; A265-Y268 PolarHBondContact O-N 2.82Å; L266-Y268 VanDerWaalsContact C-N 3.33Å; L266-Y268 PolarHBondContact O-N 2.96Å; Y268-D270 VanDerWaalsContact C-N 3.27Å; Y268-D270 PolarHBondContact O-N 3.02Å; Y268-Q271 CarbonylContact O-C 3.5Å; Y268-Q271 PolarHBondContact O-N 3.37Å; Y268-N272 PolarHBondContact O-N 3.38Å; Y268-K273 HydrophobicContact CD1-CD 4.15Å; Y268-K273 WeakPolarHBondContact O-CA 3.28Å; Y268-K273 PolarHBondContact O-N 3.26Å; Y268-E276 HydrophobicContact CD2-CB 3.77Å; Y268-E276 HydrophobicContact CE2-CB 4.13Å; Y268-E276 HydrophobicContact CG-CB 4.32Å; Y268-L280 HydrophobicContact CD2-CD1 3.57Å; Y268-L280 HydrophobicContact CE2-CD1 3.77Å |
| 269 | R | 89.4 | Confident | 90.9 | Very high | 72 Ų | 72 | 41.4 Ų | 41.4 | 27% | 0.272 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58 | -42.3 | 171 | 178.1 | -160.5 | 71.2 | -170.4 | -6.6 | 110.9 | A265 L266 Q271 N272 Y274 L309 | A265-R269 WeakPolarHBondContact O-CB 3.32Å; A265-R269 PolarHBondContact O-N 3.37Å; L266-R269 VanDerWaalsContact CD2-NH1 3.25Å; L266-R269 WeakPolarHBondContact O-CB 3.44Å; L266-R269 PolarHBondContact O-N 3.48Å; R269-Q271 VanDerWaalsContact C-N 3.33Å; R269-N272 WeakPolarHBondContact O-CA 3.24Å; R269-N272 PolarHBondContact O-N 3.3Å; R269-Y274 HydrophobicContact CG-CD1 4.44Å; R269-Y274 HydrophobicContact CG-CE1 3.97Å; R269-L309 HydrophobicContact CB-CD2 3.84Å; R269-L309 HydrophobicContact CG-CD2 3.58Å |
| 270 | D | 88.4 | Confident | 91.2 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 35% | 0.348 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -75.7 | -25.1 | -176 | -62 | -14.3 | 0 | 0 | 0 | 111.7 | Y232 L266 Y268 N272 | Y232-D270 HydrophobicContact CE1-CB 4.29Å; L266-D270 VanDerWaalsContact O-CG 3.27Å; L266-D270 PolarHBondContact O-N 3.03Å; Y268-D270 VanDerWaalsContact C-N 3.27Å; Y268-D270 PolarHBondContact O-N 3.02Å; D270-N272 PolarHBondContact O-N 2.88Å |
| 271 | Q | 89.6 | Confident | 91.4 | Very high | 40 Ų | 40 | 42.4 Ų | 42.4 | 19% | 0.187 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 2.6 | 162.8 | -71.4 | 168.5 | 59.5 | 0 | 0 | 114.7 | Y232 V236 V267 Y268 R269 K273 | Y232-Q271 HydrophobicContact CD1-CG 3.7Å; Y232-Q271 HydrophobicContact CD2-CG 3.74Å; Y232-Q271 HydrophobicContact CE1-CG 4Å; Y232-Q271 HydrophobicContact CE2-CG 4.04Å; Y232-Q271 HydrophobicContact CG-CG 3.54Å; V236-Q271 VanDerWaalsContact CG2-NE2 3.3Å; V267-Q271 PolarHBondContact O-N 3.14Å; V267-Q271 PolarHBondContact O-NE2 3.06Å; Y268-Q271 CarbonylContact O-C 3.5Å; Y268-Q271 PolarHBondContact O-N 3.37Å; R269-Q271 VanDerWaalsContact C-N 3.33Å; Q271-K273 HydrophobicContact CB-CD 4.31Å; Q271-K273 HydrophobicContact CB-CG 4.05Å; Q271-K273 PolarHBondContact O-N 3.45Å; Q271-K273 VanDerWaalsContact OE1-CE 3.27Å |
| 272 | N | 89.9 | Confident | 91.4 | Very high | 106 Ų | 106 | 45 Ų | 45 | 57% | 0.567 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 16.2 | -171.5 | -58.5 | -80.9 | 0 | 0 | 0 | 115.5 | Y268 R269 D270 Y274 | Y268-N272 PolarHBondContact O-N 3.38Å; R269-N272 WeakPolarHBondContact O-CA 3.24Å; R269-N272 PolarHBondContact O-N 3.3Å; D270-N272 PolarHBondContact O-N 2.88Å; N272-Y274 HydrophobicContact CB-CD2 4.34Å; N272-Y274 HydrophobicContact CB-CE2 3.67Å; N272-Y274 WeakPolarHBondContact O-CD2 3.4Å; N272-Y274 PolarHBondContact O-N 3.26Å; N272-Y274 PolarHBondContact OD1-OH 3.29Å |
| 273 | K | 92.1 | Very high | 91.6 | Very high | 85 Ų | 85 | 47.4 Ų | 47.4 | 37% | 0.37 | 23% | 0.229 | S | C | . | . | trans | -82 | 58.4 | 177 | -62.1 | -175.6 | -173.4 | 163.4 | 0 | 111.4 | Y268 Q271 K275 E276 A277 | Y268-K273 HydrophobicContact CD1-CD 4.15Å; Y268-K273 WeakPolarHBondContact O-CA 3.28Å; Y268-K273 PolarHBondContact O-N 3.26Å; Q271-K273 HydrophobicContact CB-CD 4.31Å; Q271-K273 HydrophobicContact CB-CG 4.05Å; Q271-K273 PolarHBondContact O-N 3.45Å; Q271-K273 VanDerWaalsContact OE1-CE 3.27Å; K273-K275 PolarHBondContact O-N 3.33Å; K273-E276 HydrophobicContact CB-CB 4.44Å; K273-E276 WeakPolarHBondContact CD-OE2 3.3Å; K273-E276 PolarHBondContact O-N 3.05Å; K273-A277 PolarHBondContact O-N 3.15Å; K273-A277 VanDerWaalsContact O-N 3.1Å | ||
| 274 | Y | 90.3 | Very high | 91.8 | Very high | 37 Ų | 37 | 47.1 Ų | 47.1 | 15% | 0.145 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.2 | -15.7 | -171.7 | -58.7 | -68.1 | 0 | 0 | 0 | 115.5 | R269 N272 A278 L309 K312 R313 | R269-Y274 HydrophobicContact CG-CD1 4.44Å; R269-Y274 HydrophobicContact CG-CE1 3.97Å; N272-Y274 HydrophobicContact CB-CD2 4.34Å; N272-Y274 HydrophobicContact CB-CE2 3.67Å; N272-Y274 WeakPolarHBondContact O-CD2 3.4Å; N272-Y274 PolarHBondContact O-N 3.26Å; N272-Y274 PolarHBondContact OD1-OH 3.29Å; Y274-A278 WeakPolarHBondContact O-CB 3.3Å; Y274-A278 PolarHBondContact O-N 3.27Å; Y274-L309 HydrophobicContact CD1-CD2 4.04Å; Y274-K312 HydrophobicContact CD1-CB 4.36Å; Y274-K312 HydrophobicContact CE1-CB 4.02Å; Y274-K312 HydrophobicContact CE1-CD 3.58Å; Y274-K312 HydrophobicContact CE1-CG 4.43Å; Y274-K312 WeakPolarHBondContact OH-CD 3.34Å; Y274-K312 PolarHBondContact OH-NZ 3.27Å; Y274-R313 HydrophobicContact CG-CG 4.21Å |
| 275 | K | 89.9 | Confident | 91.9 | Very high | 146 Ų | 146 | 47.7 Ų | 47.7 | 64% | 0.635 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -76.5 | -52.9 | 173.1 | -68 | -178.4 | -177.5 | 177.2 | 0 | 110.7 | K273 A278 N279 | K273-K275 PolarHBondContact O-N 3.33Å; K275-A278 PolarHBondContact O-N 3.38Å; K275-N279 PolarHBondContact O-N 3.1Å; K275-N279 VanDerWaalsContact O-N 3.08Å; K275-N279 PolarHBondContact O-OD1 3Å |
| 276 | E | 91.5 | Very high | 92 | Very high | 86 Ų | 86 | 50.3 Ų | 50.3 | 40% | 0.402 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 178.9 | -66 | 159.6 | -147.6 | 0 | 0 | 110.9 | Y268 K273 A278 N279 L280 | Y268-E276 HydrophobicContact CD2-CB 3.77Å; Y268-E276 HydrophobicContact CE2-CB 4.13Å; Y268-E276 HydrophobicContact CG-CB 4.32Å; K273-E276 HydrophobicContact CB-CB 4.44Å; K273-E276 WeakPolarHBondContact CD-OE2 3.3Å; K273-E276 PolarHBondContact O-N 3.05Å; E276-A278 VanDerWaalsContact C-N 3.28Å; E276-A278 PolarHBondContact O-N 3.06Å; E276-N279 PolarHBondContact O-N 3.26Å; E276-N279 VanDerWaalsContact O-N 3.15Å; E276-L280 WeakPolarHBondContact O-CG 3.35Å; E276-L280 PolarHBondContact O-N 3.32Å; E276-L280 VanDerWaalsContact O-N 3.08Å |
| 277 | A | 93.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58 | -37.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A265 K273 L281 L309 | A265-A277 HydrophobicContact CB-CB 4.29Å; A265-A277 VanDerWaalsContact O-CB 3.3Å; A265-A277 WeakPolarHBondContact O-CB 3.49Å; K273-A277 PolarHBondContact O-N 3.15Å; K273-A277 VanDerWaalsContact O-N 3.1Å; A277-L281 WeakPolarHBondContact O-CG 3.38Å; A277-L281 PolarHBondContact O-N 2.88Å; A277-L281 VanDerWaalsContact O-N 3.15Å; A277-L309 HydrophobicContact CB-CD1 3.67Å; A277-L309 HydrophobicContact CB-CD2 4.29Å |
| 278 | A | 91.7 | Very high | 92.3 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.7 | -36.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y274 K275 E276 L281 N282 L309 Y310 | Y274-A278 WeakPolarHBondContact O-CB 3.3Å; Y274-A278 PolarHBondContact O-N 3.27Å; K275-A278 PolarHBondContact O-N 3.38Å; E276-A278 VanDerWaalsContact C-N 3.28Å; E276-A278 PolarHBondContact O-N 3.06Å; A278-L281 PolarHBondContact O-N 3Å; A278-N282 PolarHBondContact O-N 3.19Å; A278-N282 PolarHBondContact O-ND2 3.24Å; A278-L309 HydrophobicContact CB-CD1 4.22Å; A278-Y310 HydrophobicContact CB-CE1 4.21Å |
| 279 | N | 93.4 | Very high | 92.3 | Very high | 115 Ų | 115 | 49.4 Ų | 49.4 | 62% | 0.615 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -63.4 | -50.4 | 175.7 | -67.7 | 2.7 | 0 | 0 | 0 | 110.6 | K275 E276 L281 N282 D283 | K275-N279 PolarHBondContact O-N 3.1Å; K275-N279 VanDerWaalsContact O-N 3.08Å; K275-N279 PolarHBondContact O-OD1 3Å; E276-N279 PolarHBondContact O-N 3.26Å; E276-N279 VanDerWaalsContact O-N 3.15Å; N279-L281 VanDerWaalsContact C-N 3.3Å; N279-L281 PolarHBondContact O-N 2.98Å; N279-N282 PolarHBondContact O-N 3.24Å; N279-N282 VanDerWaalsContact O-N 3.12Å; N279-D283 PolarHBondContact O-N 2.91Å |
| 280 | L | 94.8 | Very high | 92.4 | Very high | 31 Ų | 31 | 52.8 Ų | 52.8 | 16% | 0.162 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.4 | -36.2 | 178.3 | -64.1 | 175.1 | 0 | 0 | 0 | 113.4 | L261 L264 A265 Y268 E276 A284 | L261-L280 HydrophobicContact CD2-CD2 3.64Å; L264-L280 HydrophobicContact CB-CD1 4.02Å; L264-L280 HydrophobicContact CD2-CD1 3.75Å; L264-L280 HydrophobicContact CD2-CD2 4.43Å; L264-L280 HydrophobicContact CG-CD1 3.56Å; A265-L280 HydrophobicContact CB-CB 4.03Å; A265-L280 HydrophobicContact CB-CD1 4.32Å; Y268-L280 HydrophobicContact CD2-CD1 3.57Å; Y268-L280 HydrophobicContact CE2-CD1 3.77Å; E276-L280 WeakPolarHBondContact O-CG 3.35Å; E276-L280 PolarHBondContact O-N 3.32Å; E276-L280 VanDerWaalsContact O-N 3.08Å; L280-A284 WeakPolarHBondContact O-CB 3.37Å; L280-A284 PolarHBondContact O-N 3.24Å |
| 281 | L | 94 | Very high | 92.5 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -76.8 | -27.9 | 176.4 | -71.5 | -174.3 | 0 | 0 | 0 | 113.8 | N262 A265 A277 A278 N279 D283 L285 T302 N305 L306 L309 | N262-L281 HydrophobicContact CB-CD2 3.9Å; N262-L281 WeakPolarHBondContact OD1-CD2 3.42Å; A265-L281 HydrophobicContact CB-CD1 4.41Å; A265-L281 HydrophobicContact CB-CD2 3.71Å; A265-L281 HydrophobicContact CB-CG 3.62Å; A277-L281 WeakPolarHBondContact O-CG 3.38Å; A277-L281 PolarHBondContact O-N 2.88Å; A277-L281 VanDerWaalsContact O-N 3.15Å; A278-L281 PolarHBondContact O-N 3Å; N279-L281 VanDerWaalsContact C-N 3.3Å; N279-L281 PolarHBondContact O-N 2.98Å; L281-D283 VanDerWaalsContact C-N 3.32Å; L281-L285 WeakPolarHBondContact O-CB 3.25Å; L281-L285 PolarHBondContact O-N 3.23Å; L281-T302 HydrophobicContact CD2-CG2 4.45Å; L281-N305 HydrophobicContact CD1-CB 3.59Å; L281-L306 HydrophobicContact CB-CD1 4.31Å; L281-L306 HydrophobicContact CB-CD2 3.48Å; L281-L306 VanDerWaalsContact CB-CD2 3.48Å; L281-L306 HydrophobicContact CB-CG 3.63Å; L281-L306 HydrophobicContact CD1-CD2 4.34Å; L281-L306 HydrophobicContact CD1-CG 4.19Å; L281-L309 HydrophobicContact CD1-CD1 3.61Å; L281-L309 HydrophobicContact CD1-CG 4.29Å; L281-L309 HydrophobicContact CG-CD1 4.37Å |
| 282 | N | 94.4 | Very high | 92.4 | Very high | 62 Ų | 62 | 53.8 Ų | 53.8 | 33% | 0.332 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.4 | -37.4 | 170.9 | -81.6 | -71 | 0 | 0 | 0 | 110.6 | A278 N279 L285 A286 Y310 | A278-N282 PolarHBondContact O-N 3.19Å; A278-N282 PolarHBondContact O-ND2 3.24Å; N279-N282 PolarHBondContact O-N 3.24Å; N279-N282 VanDerWaalsContact O-N 3.12Å; N282-L285 WeakPolarHBondContact O-CB 3.42Å; N282-L285 PolarHBondContact O-N 3.43Å; N282-A286 PolarHBondContact O-N 3Å; N282-Y310 PolarHBondContact ND2-OH 3.15Å |
| 283 | D | 94.5 | Very high | 92.3 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 33% | 0.326 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.2 | -51.1 | 175.6 | -158 | 31.4 | 0 | 0 | 0 | 111.4 | H252 L261 N279 L281 L285 A286 I287 | H252-D283 IonicContact CE1-OD1 2.78Å; H252-D283 IonicContact CE1-OD2 2.69Å; H252-D283 PolarHBondContact CE1-OD2 3.43Å; H252-D283 IonicContact NE2-OD1 2.64Å; H252-D283 IonicContact NE2-OD2 3.38Å; L261-D283 HydrophobicContact CD1-CB 4.2Å; N279-D283 PolarHBondContact O-N 2.91Å; L281-D283 VanDerWaalsContact C-N 3.32Å; D283-L285 PolarHBondContact O-N 3.37Å; D283-A286 PolarHBondContact O-N 3.05Å; D283-A286 VanDerWaalsContact O-N 3.08Å; D283-I287 WeakPolarHBondContact O-CG1 3.46Å; D283-I287 PolarHBondContact O-N 3.45Å |
| 284 | A | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.7 | -32.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A258 L261 L280 R288 | A258-A284 HydrophobicContact CB-CB 4.11Å; A258-A284 WeakPolarHBondContact O-CB 3.36Å; L261-A284 HydrophobicContact CB-CB 3.93Å; L261-A284 HydrophobicContact CD1-CB 4.38Å; L280-A284 WeakPolarHBondContact O-CB 3.37Å; L280-A284 PolarHBondContact O-N 3.24Å; A284-R288 VanDerWaalsContact O-CB 3.28Å; A284-R288 WeakPolarHBondContact O-CB 3.34Å; A284-R288 WeakPolarHBondContact O-CD 3.38Å; A284-R288 WeakPolarHBondContact O-CG 3.47Å; A284-R288 PolarHBondContact O-N 2.74Å |
| 285 | L | 93.9 | Very high | 92.1 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.3 | -46.7 | 174.6 | 179.1 | 69.3 | 0 | 0 | 0 | 111 | L281 N282 D283 I287 R288 E289 V299 T302 L303 L306 | L281-L285 WeakPolarHBondContact O-CB 3.25Å; L281-L285 PolarHBondContact O-N 3.23Å; N282-L285 WeakPolarHBondContact O-CB 3.42Å; N282-L285 PolarHBondContact O-N 3.43Å; D283-L285 PolarHBondContact O-N 3.37Å; L285-I287 PolarHBondContact O-N 2.85Å; L285-R288 PolarHBondContact O-N 3.28Å; L285-E289 HydrophobicContact CD1-CG 4.33Å; L285-E289 HydrophobicContact CG-CG 4.48Å; L285-E289 WeakPolarHBondContact O-CB 3.48Å; L285-E289 WeakPolarHBondContact O-CG 3.34Å; L285-E289 PolarHBondContact O-N 3.1Å; L285-V299 HydrophobicContact CD1-CG1 3.8Å; L285-T302 HydrophobicContact CB-CG2 3.9Å; L285-T302 HydrophobicContact CD1-CG2 4.26Å; L285-L303 HydrophobicContact CD1-CD2 3.92Å; L285-L303 HydrophobicContact CD1-CG 3.85Å; L285-L303 HydrophobicContact CD2-CD2 3.71Å; L285-L306 HydrophobicContact CB-CD1 4.36Å; L285-L306 HydrophobicContact CD2-CD1 3.87Å |
| 286 | A | 94.4 | Very high | 92 | Very high | 57 Ų | 57 | 53 Ų | 53 | 47% | 0.471 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.5 | -47.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N282 D283 R288 E289 K290 | N282-A286 PolarHBondContact O-N 3Å; D283-A286 PolarHBondContact O-N 3.05Å; D283-A286 VanDerWaalsContact O-N 3.08Å; A286-R288 PolarHBondContact O-N 2.86Å; A286-E289 PolarHBondContact O-N 2.9Å; A286-K290 WeakPolarHBondContact O-CB 3.48Å; A286-K290 PolarHBondContact O-N 2.69Å |
| 287 | I | 93.2 | Very high | 91.7 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.5 | -47.2 | 175.3 | -63.1 | 160.2 | 0 | 0 | 0 | 110.6 | H252 D253 V257 A258 L261 D283 L285 E289 K290 T291 | H252-I287 WeakPolarHBondContact O-CD1 3.21Å; D253-I287 WeakPolarHBondContact O-CG2 3.39Å; V257-I287 HydrophobicContact CG1-CD1 4.18Å; A258-I287 HydrophobicContact CB-CB 3.95Å; A258-I287 HydrophobicContact CB-CD1 4.38Å; A258-I287 HydrophobicContact CB-CG2 3.77Å; L261-I287 HydrophobicContact CD1-CD1 3.64Å; D283-I287 WeakPolarHBondContact O-CG1 3.46Å; D283-I287 PolarHBondContact O-N 3.45Å; L285-I287 PolarHBondContact O-N 2.85Å; I287-E289 PolarHBondContact O-N 3.38Å; I287-K290 PolarHBondContact O-N 3.03Å; I287-T291 HydrophobicContact CG2-CG2 4.33Å; I287-T291 WeakPolarHBondContact O-CB 3.5Å; I287-T291 WeakPolarHBondContact O-CG2 3.46Å; I287-T291 PolarHBondContact O-N 3.08Å; I287-T291 PolarHBondContact O-OG1 3.13Å |
| 288 | R | 92.4 | Very high | 91.4 | Very high | 8 Ų | 8 | 51.5 Ų | 51.5 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.8 | -36.9 | -180 | -77.3 | 169.3 | 172.8 | 176.8 | -3.2 | 113.2 | A258 T259 A284 L285 A286 L292 V299 T302 | A258-R288 HydrophobicContact CB-CG 3.78Å; T259-R288 PolarHBondContact OG1-NH2 3.27Å; A284-R288 VanDerWaalsContact O-CB 3.28Å; A284-R288 WeakPolarHBondContact O-CB 3.34Å; A284-R288 WeakPolarHBondContact O-CD 3.38Å; A284-R288 WeakPolarHBondContact O-CG 3.47Å; A284-R288 PolarHBondContact O-N 2.74Å; L285-R288 PolarHBondContact O-N 3.28Å; A286-R288 PolarHBondContact O-N 2.86Å; R288-L292 HydrophobicContact CG-CD1 4.27Å; R288-L292 WeakPolarHBondContact O-CB 3.17Å; R288-L292 PolarHBondContact O-N 3Å; R288-V299 HydrophobicContact CB-CG2 3.9Å; R288-T302 VanDerWaalsContact CD-OG1 3.3Å; R288-T302 WeakPolarHBondContact CD-OG1 3.24Å; R288-T302 PolarHBondContact NH1-OG1 2.96Å |
| 289 | E | 92.9 | Very high | 91.3 | Very high | 43 Ų | 43 | 51.5 Ų | 51.5 | 20% | 0.201 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 174.8 | -76.1 | -170.8 | -167.3 | 0 | 0 | 112.6 | L285 A286 I287 G293 R294 V299 R325 | L285-E289 HydrophobicContact CD1-CG 4.33Å; L285-E289 HydrophobicContact CG-CG 4.48Å; L285-E289 WeakPolarHBondContact O-CB 3.48Å; L285-E289 WeakPolarHBondContact O-CG 3.34Å; L285-E289 PolarHBondContact O-N 3.1Å; A286-E289 PolarHBondContact O-N 2.9Å; I287-E289 PolarHBondContact O-N 3.38Å; E289-G293 VanDerWaalsContact O-CA 3.29Å; E289-G293 WeakPolarHBondContact O-CA 3.24Å; E289-G293 PolarHBondContact O-N 3.35Å; E289-R294 HydrophobicContact CB-CG 4.47Å; E289-R294 HydrophobicContact CG-CG 4.38Å; E289-R294 IonicContact OE2-NE 3.59Å; E289-V299 HydrophobicContact CG-CG1 3.98Å; E289-V299 HydrophobicContact CG-CG2 4.02Å; E289-R325 VanDerWaalsContact CD-NH2 3.3Å; E289-R325 IonicContact OE1-CZ 4Å; E289-R325 IonicContact OE1-NH1 2.78Å; E289-R325 PolarHBondContact OE1-NH1 2.9Å; E289-R325 IonicContact OE1-NH2 2.8Å; E289-R325 PolarHBondContact OE1-NH2 3.49Å; E289-R325 IonicContact OE2-NH2 3.82Å |
| 290 | K | 92.4 | Very high | 91.2 | Very high | 143 Ų | 143 | 46 Ų | 46 | 62% | 0.622 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -74.1 | -37.8 | 179 | -175.1 | 175.6 | 170.4 | -173.5 | 0 | 112.8 | D253 A286 I287 | D253-K290 WeakPolarHBondContact OD1-CD 3.37Å; D253-K290 WeakPolarHBondContact OD1-CE 3.3Å; D253-K290 IonicContact OD1-NZ 2.8Å; D253-K290 PolarHBondContact OD1-NZ 3.4Å; D253-K290 IonicContact OD2-NZ 3.52Å; D253-K290 PolarHBondContact OD2-NZ 3.48Å; A286-K290 WeakPolarHBondContact O-CB 3.48Å; A286-K290 PolarHBondContact O-N 2.69Å; I287-K290 PolarHBondContact O-N 3.03Å |
| 291 | T | 90.2 | Very high | 90.9 | Very high | 57 Ų | 57 | 44.8 Ų | 44.8 | 35% | 0.35 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -88.5 | -42.6 | -176.1 | 48.3 | 0 | 0 | 0 | 0 | 114.4 | D253 I287 | D253-T291 WeakPolarHBondContact O-CG2 3.33Å; I287-T291 HydrophobicContact CG2-CG2 4.33Å; I287-T291 WeakPolarHBondContact O-CB 3.5Å; I287-T291 WeakPolarHBondContact O-CG2 3.46Å; I287-T291 PolarHBondContact O-N 3.08Å; I287-T291 PolarHBondContact O-OG1 3.13Å |
| 292 | L | 86.9 | Confident | 90.7 | Very high | 68 Ų | 68 | 44.5 Ų | 44.5 | 36% | 0.356 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -108.2 | -10.8 | -171.5 | -54.8 | 170.5 | 0 | 0 | 0 | 112.6 | R288 H296 A298 | R288-L292 HydrophobicContact CG-CD1 4.27Å; R288-L292 WeakPolarHBondContact O-CB 3.17Å; R288-L292 PolarHBondContact O-N 3Å; L292-H296 HydrophobicContact CB-CB 3.78Å; L292-H296 WeakPolarHBondContact O-CB 3.43Å; L292-A298 HydrophobicContact CD1-CB 3.89Å |
| 293 | G | 89.2 | Confident | 90.7 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 32% | 0.32 | 22% | 0.219 | S | C | . | . | trans | 86.9 | 157.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E289 D295 H296 V299 | E289-G293 VanDerWaalsContact O-CA 3.29Å; E289-G293 WeakPolarHBondContact O-CA 3.24Å; E289-G293 PolarHBondContact O-N 3.35Å; G293-D295 VanDerWaalsContact C-N 3.3Å; G293-D295 PolarHBondContact O-N 3.44Å; G293-H296 WeakPolarHBondContact O-CB 3.44Å; G293-H296 PolarHBondContact O-N 3.31Å; G293-V299 WeakPolarHBondContact O-CG2 3.33Å | ||
| 294 | R | 89.2 | Confident | 90.5 | Very high | 179 Ų | 179 | 39.6 Ų | 39.6 | 68% | 0.675 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -23.4 | -169.4 | -70.8 | -177.3 | 172.7 | 172.3 | 2.4 | 115.8 | E289 R325 I329 | E289-R294 HydrophobicContact CB-CG 4.47Å; E289-R294 HydrophobicContact CG-CG 4.38Å; E289-R294 IonicContact OE2-NE 3.59Å; R294-R325 PolarHBondContact O-NH2 2.95Å; R294-I329 VanDerWaalsContact O-CD1 3.3Å; R294-I329 WeakPolarHBondContact O-CD1 3.3Å |
| 295 | D | 88.6 | Confident | 90.3 | Very high | 76 Ų | 76 | 41.2 Ų | 41.2 | 41% | 0.406 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 14.8 | -179.4 | -78.3 | -27.7 | 0 | 0 | 0 | 112.6 | G293 I329 K332 V333 | G293-D295 VanDerWaalsContact C-N 3.3Å; G293-D295 PolarHBondContact O-N 3.44Å; D295-I329 WeakPolarHBondContact O-CG2 3.37Å; D295-K332 IonicContact OD1-NZ 2.96Å; D295-K332 PolarHBondContact OD1-NZ 2.78Å; D295-K332 IonicContact OD2-NZ 2.82Å; D295-K332 PolarHBondContact OD2-NZ 3.05Å; D295-V333 WeakPolarHBondContact O-CG2 3.33Å |
| 296 | H | 87.1 | Confident | 90.3 | Very high | 72 Ų | 72 | 40.5 Ų | 40.5 | 33% | 0.333 | 21% | 0.214 | S | C | . | . | trans | -76.7 | 143.1 | 179.8 | -166.3 | -100.4 | 0 | 0 | 0 | 112.8 | L292 G293 A298 V299 A300 | L292-H296 HydrophobicContact CB-CB 3.78Å; L292-H296 WeakPolarHBondContact O-CB 3.43Å; G293-H296 WeakPolarHBondContact O-CB 3.44Å; G293-H296 PolarHBondContact O-N 3.31Å; H296-A298 VanDerWaalsContact C-N 3.25Å; H296-A298 WeakPolarHBondContact ND1-CB 3.35Å; H296-A298 PolarHBondContact ND1-N 3.39Å; H296-A298 PolarHBondContact O-N 3.49Å; H296-A298 VanDerWaalsContact O-N 3.15Å; H296-V299 HydrophobicContact CB-CG2 4.34Å; H296-V299 WeakPolarHBondContact O-CA 3.28Å; H296-V299 WeakPolarHBondContact O-CB 3.28Å; H296-V299 PolarHBondContact O-N 2.9Å; H296-A300 PolarHBondContact O-N 3.36Å | ||
| 297 | P | 86.3 | Confident | 90.1 | Very high | 45 Ų | 45 | 37.8 Ų | 37.8 | 29% | 0.292 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -52.9 | -36.8 | 177 | -31.6 | 38.2 | 0 | 0 | 0 | 115 | V299 A300 A301 V333 | P297-V299 VanDerWaalsContact C-N 3.29Å; P297-V299 PolarHBondContact O-N 3.07Å; P297-A300 WeakPolarHBondContact O-CB 3.42Å; P297-A300 PolarHBondContact O-N 2.9Å; P297-A301 WeakPolarHBondContact O-CB 3.47Å; P297-A301 PolarHBondContact O-N 3.34Å; P297-V333 HydrophobicContact CG-CB 4.43Å; P297-V333 HydrophobicContact CG-CG1 3.81Å; P297-V333 HydrophobicContact CG-CG2 4.47Å |
| 298 | A | 85.6 | Confident | 89.8 | Confident | 10 Ų | 10 | 40.4 Ų | 40.4 | 8% | 0.083 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.8 | -32.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | L292 H296 T302 | L292-A298 HydrophobicContact CD1-CB 3.89Å; H296-A298 VanDerWaalsContact C-N 3.25Å; H296-A298 WeakPolarHBondContact ND1-CB 3.35Å; H296-A298 PolarHBondContact ND1-N 3.39Å; H296-A298 PolarHBondContact O-N 3.49Å; H296-A298 VanDerWaalsContact O-N 3.15Å; A298-T302 WeakPolarHBondContact O-CB 3.46Å; A298-T302 PolarHBondContact O-N 3.48Å; A298-T302 PolarHBondContact O-OG1 2.98Å |
| 299 | V | 90.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.1 | -49.4 | 173.6 | 171.5 | 0 | 0 | 0 | 0 | 109.7 | L285 R288 E289 G293 H296 P297 A301 T302 L303 I329 | L285-V299 HydrophobicContact CD1-CG1 3.8Å; R288-V299 HydrophobicContact CB-CG2 3.9Å; E289-V299 HydrophobicContact CG-CG1 3.98Å; E289-V299 HydrophobicContact CG-CG2 4.02Å; G293-V299 WeakPolarHBondContact O-CG2 3.33Å; H296-V299 HydrophobicContact CB-CG2 4.34Å; H296-V299 WeakPolarHBondContact O-CA 3.28Å; H296-V299 WeakPolarHBondContact O-CB 3.28Å; H296-V299 PolarHBondContact O-N 2.9Å; P297-V299 VanDerWaalsContact C-N 3.29Å; P297-V299 PolarHBondContact O-N 3.07Å; V299-A301 VanDerWaalsContact C-N 3.28Å; V299-A301 PolarHBondContact O-N 2.95Å; V299-T302 PolarHBondContact O-N 3.04Å; V299-T302 VanDerWaalsContact O-N 3.1Å; V299-L303 HydrophobicContact CG1-CD1 3.94Å; V299-L303 HydrophobicContact CG1-CG 4.39Å; V299-L303 WeakPolarHBondContact O-CG 3.42Å; V299-L303 PolarHBondContact O-N 3.36Å; V299-I329 HydrophobicContact CG1-CD1 4.11Å |
| 300 | A | 90.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.8 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | H296 P297 N304 A326 I329 R330 | H296-A300 PolarHBondContact O-N 3.36Å; P297-A300 WeakPolarHBondContact O-CB 3.42Å; P297-A300 PolarHBondContact O-N 2.9Å; A300-N304 PolarHBondContact O-N 3.45Å; A300-A326 HydrophobicContact CB-CB 4.4Å; A300-A326 VanDerWaalsContact O-CB 3.3Å; A300-A326 WeakPolarHBondContact O-CB 3.41Å; A300-I329 HydrophobicContact CB-CB 3.82Å; A300-I329 HydrophobicContact CB-CD1 4.25Å; A300-I329 HydrophobicContact CB-CG2 3.7Å; A300-R330 HydrophobicContact CB-CG 4.14Å |
| 301 | A | 88.3 | Confident | 89.3 | Confident | 5 Ų | 5 | 33.6 Ų | 33.6 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73.9 | -31.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y210 P297 V299 N304 N305 | Y210-A301 HydrophobicContact CD2-CB 4.43Å; Y210-A301 HydrophobicContact CE1-CB 3.73Å; Y210-A301 HydrophobicContact CE2-CB 3.58Å; Y210-A301 WeakPolarHBondContact OH-CB 3.39Å; Y210-A301 PolarHBondContact OH-O 3.44Å; Y210-A301 VanDerWaalsContact OH-O 3.08Å; P297-A301 WeakPolarHBondContact O-CB 3.47Å; P297-A301 PolarHBondContact O-N 3.34Å; V299-A301 VanDerWaalsContact C-N 3.28Å; V299-A301 PolarHBondContact O-N 2.95Å; A301-N304 PolarHBondContact O-N 3.09Å; A301-N305 PolarHBondContact O-N 2.93Å; A301-N305 VanDerWaalsContact O-N 3.08Å |
| 302 | T | 90.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.4 | -45.2 | 172.1 | -49.9 | 0 | 0 | 0 | 0 | 111 | Y210 L281 L285 R288 A298 V299 N304 N305 L306 | Y210-T302 PolarHBondContact OH-N 3.34Å; L281-T302 HydrophobicContact CD2-CG2 4.45Å; L285-T302 HydrophobicContact CB-CG2 3.9Å; L285-T302 HydrophobicContact CD1-CG2 4.26Å; R288-T302 VanDerWaalsContact CD-OG1 3.3Å; R288-T302 WeakPolarHBondContact CD-OG1 3.24Å; R288-T302 PolarHBondContact NH1-OG1 2.96Å; A298-T302 WeakPolarHBondContact O-CB 3.46Å; A298-T302 PolarHBondContact O-N 3.48Å; A298-T302 PolarHBondContact O-OG1 2.98Å; V299-T302 PolarHBondContact O-N 3.04Å; V299-T302 VanDerWaalsContact O-N 3.1Å; T302-N304 VanDerWaalsContact C-N 3.31Å; T302-N304 PolarHBondContact O-N 2.92Å; T302-N305 PolarHBondContact O-N 3.1Å; T302-N305 VanDerWaalsContact O-N 3.13Å; T302-L306 PolarHBondContact O-N 3.11Å |
| 303 | L | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.2 | -42.3 | 174.1 | -72 | 168.5 | 0 | 0 | 0 | 111.9 | L285 V299 L306 A307 L322 R325 A326 I329 | L285-L303 HydrophobicContact CD1-CD2 3.92Å; L285-L303 HydrophobicContact CD1-CG 3.85Å; L285-L303 HydrophobicContact CD2-CD2 3.71Å; V299-L303 HydrophobicContact CG1-CD1 3.94Å; V299-L303 HydrophobicContact CG1-CG 4.39Å; V299-L303 WeakPolarHBondContact O-CG 3.42Å; V299-L303 PolarHBondContact O-N 3.36Å; L303-L306 PolarHBondContact O-N 2.71Å; L303-A307 WeakPolarHBondContact O-CB 3.4Å; L303-A307 PolarHBondContact O-N 3.37Å; L303-L322 HydrophobicContact CD2-CB 4.39Å; L303-L322 HydrophobicContact CD2-CD2 3.73Å; L303-R325 HydrophobicContact CD1-CB 4.21Å; L303-R325 HydrophobicContact CD1-CG 3.8Å; L303-A326 HydrophobicContact CB-CB 3.94Å; L303-I329 HydrophobicContact CD1-CD1 3.9Å |
| 304 | N | 91 | Very high | 89 | Confident | 20 Ų | 20 | 38.3 Ų | 38.3 | 11% | 0.107 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.6 | -41.2 | 174.9 | -178.5 | 75.6 | 0 | 0 | 0 | 112.4 | A300 A301 T302 A307 V308 Q344 N347 | A300-N304 PolarHBondContact O-N 3.45Å; A301-N304 PolarHBondContact O-N 3.09Å; T302-N304 VanDerWaalsContact C-N 3.31Å; T302-N304 PolarHBondContact O-N 2.92Å; N304-A307 PolarHBondContact O-N 2.94Å; N304-V308 WeakPolarHBondContact O-CG2 3.42Å; N304-V308 PolarHBondContact O-N 3.42Å; N304-Q344 PolarHBondContact OD1-NE2 3.25Å; N304-Q344 PolarHBondContact OD1-OE1 2.92Å; N304-Q344 VanDerWaalsContact OD1-OE1 3.1Å; N304-N347 PolarHBondContact OD1-ND2 3.34Å |
| 305 | N | 90.1 | Very high | 89.1 | Confident | 34 Ų | 34 | 33 Ų | 33 | 18% | 0.182 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.2 | -43.5 | 175.4 | -74.1 | -11.2 | 0 | 0 | 0 | 111.4 | Y210 N262 L281 A301 T302 V308 L309 | Y210-N305 PolarHBondContact OH-ND2 3.47Å; N262-N305 PolarHBondContact OD1-ND2 3.39Å; L281-N305 HydrophobicContact CD1-CB 3.59Å; A301-N305 PolarHBondContact O-N 2.93Å; A301-N305 VanDerWaalsContact O-N 3.08Å; T302-N305 PolarHBondContact O-N 3.1Å; T302-N305 VanDerWaalsContact O-N 3.13Å; N305-V308 PolarHBondContact O-N 2.84Å; N305-L309 WeakPolarHBondContact O-CG 3.5Å; N305-L309 PolarHBondContact O-N 3.37Å; N305-L309 VanDerWaalsContact O-N 3.08Å |
| 306 | L | 92 | Very high | 89.1 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.1 | -46.6 | 173.1 | -81.1 | 165.3 | 0 | 0 | 0 | 112.6 | L281 L285 T302 L303 V308 L309 Y310 L322 | L281-L306 HydrophobicContact CB-CD1 4.31Å; L281-L306 HydrophobicContact CB-CD2 3.48Å; L281-L306 VanDerWaalsContact CB-CD2 3.48Å; L281-L306 HydrophobicContact CB-CG 3.63Å; L281-L306 HydrophobicContact CD1-CD2 4.34Å; L281-L306 HydrophobicContact CD1-CG 4.19Å; L285-L306 HydrophobicContact CB-CD1 4.36Å; L285-L306 HydrophobicContact CD2-CD1 3.87Å; T302-L306 PolarHBondContact O-N 3.11Å; L303-L306 PolarHBondContact O-N 2.71Å; L306-V308 VanDerWaalsContact C-N 3.29Å; L306-V308 PolarHBondContact O-N 3.33Å; L306-L309 PolarHBondContact O-N 3.04Å; L306-L309 VanDerWaalsContact O-N 3.1Å; L306-Y310 PolarHBondContact O-N 3.08Å; L306-L322 HydrophobicContact CB-CD1 3.94Å |
| 307 | A | 90.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.4 | -38.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L303 N304 Y310 G311 A319 L322 C323 L351 | L303-A307 WeakPolarHBondContact O-CB 3.4Å; L303-A307 PolarHBondContact O-N 3.37Å; N304-A307 PolarHBondContact O-N 2.94Å; A307-Y310 PolarHBondContact O-N 3.14Å; A307-G311 PolarHBondContact O-N 3.49Å; A307-A319 HydrophobicContact CB-CB 4.22Å; A307-A319 WeakPolarHBondContact O-CB 3.43Å; A307-L322 HydrophobicContact CB-CB 4.17Å; A307-C323 HydrophobicContact CB-CB 4.26Å; A307-C323 WeakPolarHBondContact CB-SG 3.46Å; A307-L351 HydrophobicContact CB-CD1 4.35Å |
| 308 | V | 88 | Confident | 89.3 | Confident | 58 Ų | 58 | 39.6 Ų | 39.6 | 35% | 0.352 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.3 | -40.2 | 173.4 | 171.8 | 0 | 0 | 0 | 0 | 111.9 | N304 N305 L306 G311 K312 | N304-V308 WeakPolarHBondContact O-CG2 3.42Å; N304-V308 PolarHBondContact O-N 3.42Å; N305-V308 PolarHBondContact O-N 2.84Å; L306-V308 VanDerWaalsContact C-N 3.29Å; L306-V308 PolarHBondContact O-N 3.33Å; V308-G311 PolarHBondContact O-N 2.66Å; V308-K312 PolarHBondContact O-N 3.09Å |
| 309 | L | 89.4 | Confident | 89.6 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.031 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.3 | -45.2 | 175.2 | -64.7 | -175.2 | 0 | 0 | 0 | 112.1 | R269 Y274 A277 A278 L281 N305 L306 K312 R313 | R269-L309 HydrophobicContact CB-CD2 3.84Å; R269-L309 HydrophobicContact CG-CD2 3.58Å; Y274-L309 HydrophobicContact CD1-CD2 4.04Å; A277-L309 HydrophobicContact CB-CD1 3.67Å; A277-L309 HydrophobicContact CB-CD2 4.29Å; A278-L309 HydrophobicContact CB-CD1 4.22Å; L281-L309 HydrophobicContact CD1-CD1 3.61Å; L281-L309 HydrophobicContact CD1-CG 4.29Å; L281-L309 HydrophobicContact CG-CD1 4.37Å; N305-L309 WeakPolarHBondContact O-CG 3.5Å; N305-L309 PolarHBondContact O-N 3.37Å; N305-L309 VanDerWaalsContact O-N 3.08Å; L306-L309 PolarHBondContact O-N 3.04Å; L306-L309 VanDerWaalsContact O-N 3.1Å; L309-K312 PolarHBondContact O-N 3.24Å; L309-R313 WeakPolarHBondContact O-CG 3.37Å; L309-R313 PolarHBondContact O-N 3.49Å; L309-R313 VanDerWaalsContact O-N 3.14Å |
| 310 | Y | 90.4 | Very high | 89.6 | Confident | 33 Ų | 33 | 40.2 Ų | 40.2 | 13% | 0.129 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.7 | -37.4 | 176.1 | -70.5 | -39.8 | 0 | 0 | 0 | 112 | A278 N282 L306 A307 R313 G314 K315 E318 L322 | A278-Y310 HydrophobicContact CB-CE1 4.21Å; N282-Y310 PolarHBondContact ND2-OH 3.15Å; L306-Y310 PolarHBondContact O-N 3.08Å; A307-Y310 PolarHBondContact O-N 3.14Å; Y310-R313 CarbonylContact O-C 3.57Å; Y310-R313 WeakPolarHBondContact O-CA 3.49Å; Y310-R313 PolarHBondContact O-N 3.23Å; Y310-R313 VanDerWaalsContact O-N 3.09Å; Y310-G314 PolarHBondContact O-N 3.01Å; Y310-K315 HydrophobicContact CD1-CB 4.44Å; Y310-K315 HydrophobicContact CD1-CD 4.08Å; Y310-K315 PolarHBondContact O-N 3.31Å; Y310-E318 HydrophobicContact CD2-CB 4.26Å; Y310-E318 HydrophobicContact CG-CB 4.43Å; Y310-L322 HydrophobicContact CD2-CD1 3.71Å; Y310-L322 HydrophobicContact CE2-CD1 3.69Å |
| 311 | G | 86.4 | Confident | 89.7 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.9 | -48.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.5 | A307 V308 R313 G314 Y316 | A307-G311 PolarHBondContact O-N 3.49Å; V308-G311 PolarHBondContact O-N 2.66Å; G311-R313 PolarHBondContact O-N 2.61Å; G311-G314 PolarHBondContact O-N 3.23Å; G311-Y316 VanDerWaalsContact O-CE1 3.24Å; G311-Y316 WeakPolarHBondContact O-CE1 3.41Å |
| 312 | K | 86.3 | Confident | 90 | Very high | 125 Ų | 125 | 45.1 Ų | 45.1 | 54% | 0.543 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.9 | -23.3 | 174.8 | -80 | -154.1 | 173.1 | -168.8 | 0 | 114.1 | Y274 V308 L309 | Y274-K312 HydrophobicContact CD1-CB 4.36Å; Y274-K312 HydrophobicContact CE1-CB 4.02Å; Y274-K312 HydrophobicContact CE1-CD 3.58Å; Y274-K312 HydrophobicContact CE1-CG 4.43Å; Y274-K312 WeakPolarHBondContact OH-CD 3.34Å; Y274-K312 PolarHBondContact OH-NZ 3.27Å; V308-K312 PolarHBondContact O-N 3.09Å; L309-K312 PolarHBondContact O-N 3.24Å |
| 313 | R | 87.1 | Confident | 90 | Very high | 90 Ų | 90 | 45.2 Ų | 45.2 | 34% | 0.34 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 1.9 | 173 | -68.6 | 178.2 | 64.3 | -175.8 | -2.5 | 114 | Y274 L309 Y310 G311 K315 | Y274-R313 HydrophobicContact CG-CG 4.21Å; L309-R313 WeakPolarHBondContact O-CG 3.37Å; L309-R313 PolarHBondContact O-N 3.49Å; L309-R313 VanDerWaalsContact O-N 3.14Å; Y310-R313 CarbonylContact O-C 3.57Å; Y310-R313 WeakPolarHBondContact O-CA 3.49Å; Y310-R313 PolarHBondContact O-N 3.23Å; Y310-R313 VanDerWaalsContact O-N 3.09Å; G311-R313 PolarHBondContact O-N 2.61Å; R313-K315 HydrophobicContact CB-CD 4.3Å; R313-K315 PolarHBondContact O-N 3.07Å |
| 314 | G | 86.6 | Confident | 90 | Very high | 40 Ų | 40 | 47.9 Ų | 47.9 | 41% | 0.412 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 5.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y310 G311 Y316 | Y310-G314 PolarHBondContact O-N 3.01Å; G311-G314 PolarHBondContact O-N 3.23Å; G314-Y316 WeakPolarHBondContact O-CD2 3.29Å; G314-Y316 PolarHBondContact O-N 3.48Å |
| 315 | K | 90.6 | Very high | 90.1 | Very high | 67 Ų | 67 | 50.3 Ų | 50.3 | 29% | 0.291 | 24% | 0.244 | S | C | . | . | trans | -82.8 | 52.4 | -179.9 | -79.7 | 166.6 | 153.5 | -83.2 | 0 | 111.2 | Y310 R313 K317 E318 A319 | Y310-K315 HydrophobicContact CD1-CB 4.44Å; Y310-K315 HydrophobicContact CD1-CD 4.08Å; Y310-K315 PolarHBondContact O-N 3.31Å; R313-K315 HydrophobicContact CB-CD 4.3Å; R313-K315 PolarHBondContact O-N 3.07Å; K315-K317 VanDerWaalsContact C-N 3.29Å; K315-K317 PolarHBondContact O-N 3.42Å; K315-E318 HydrophobicContact CB-CB 4.32Å; K315-E318 WeakPolarHBondContact CD-OE2 3.49Å; K315-E318 IonicContact NZ-OE1 3.82Å; K315-E318 PolarHBondContact NZ-OE1 3.38Å; K315-E318 IonicContact NZ-OE2 2.78Å; K315-E318 PolarHBondContact NZ-OE2 3.49Å; K315-E318 PolarHBondContact O-N 3.04Å; K315-A319 PolarHBondContact O-N 2.85Å; K315-A319 VanDerWaalsContact O-N 3.1Å | ||
| 316 | Y | 89.4 | Confident | 90.3 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 28% | 0.275 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.4 | -35.7 | -172.6 | -53.3 | -61.9 | 0 | 0 | 0 | 113.6 | G311 G314 E318 A319 E320 L351 N354 Q355 | G311-Y316 VanDerWaalsContact O-CE1 3.24Å; G311-Y316 WeakPolarHBondContact O-CE1 3.41Å; G314-Y316 WeakPolarHBondContact O-CD2 3.29Å; G314-Y316 PolarHBondContact O-N 3.48Å; Y316-E318 VanDerWaalsContact C-N 3.29Å; Y316-E318 PolarHBondContact O-N 3.29Å; Y316-A319 PolarHBondContact O-N 3.38Å; Y316-E320 PolarHBondContact O-N 2.65Å; Y316-L351 HydrophobicContact CD1-CD2 3.96Å; Y316-N354 HydrophobicContact CD1-CB 3.93Å; Y316-N354 HydrophobicContact CD2-CB 4.02Å; Y316-N354 HydrophobicContact CE1-CB 3.69Å; Y316-N354 WeakPolarHBondContact CE1-ND2 3.39Å; Y316-N354 HydrophobicContact CE2-CB 3.78Å; Y316-N354 HydrophobicContact CG-CB 4.09Å; Y316-Q355 HydrophobicContact CG-CG 4.46Å |
| 317 | K | 89.3 | Confident | 90.3 | Very high | 179 Ų | 179 | 49.5 Ų | 49.5 | 78% | 0.778 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.2 | -29.5 | 176.1 | -64.4 | -172.8 | 178.7 | -175.7 | 0 | 113.7 | K315 P321 | K315-K317 VanDerWaalsContact C-N 3.29Å; K315-K317 PolarHBondContact O-N 3.42Å; K317-P321 VanDerWaalsContact O-CD 3.25Å; K317-P321 WeakPolarHBondContact O-CD 3.38Å |
| 318 | E | 89.1 | Confident | 90.4 | Very high | 84 Ų | 84 | 54.7 Ų | 54.7 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -83.6 | -29.2 | 175.2 | -67 | 164.2 | -143.6 | 0 | 0 | 111.4 | Y310 K315 Y316 | Y310-E318 HydrophobicContact CD2-CB 4.26Å; Y310-E318 HydrophobicContact CG-CB 4.43Å; K315-E318 HydrophobicContact CB-CB 4.32Å; K315-E318 WeakPolarHBondContact CD-OE2 3.49Å; K315-E318 IonicContact NZ-OE1 3.82Å; K315-E318 PolarHBondContact NZ-OE1 3.38Å; K315-E318 IonicContact NZ-OE2 2.78Å; K315-E318 PolarHBondContact NZ-OE2 3.49Å; K315-E318 PolarHBondContact O-N 3.04Å; Y316-E318 VanDerWaalsContact C-N 3.29Å; Y316-E318 PolarHBondContact O-N 3.29Å |
| 319 | A | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.7 | -37.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A307 K315 Y316 L322 C323 L351 | A307-A319 HydrophobicContact CB-CB 4.22Å; A307-A319 WeakPolarHBondContact O-CB 3.43Å; K315-A319 PolarHBondContact O-N 2.85Å; K315-A319 VanDerWaalsContact O-N 3.1Å; Y316-A319 PolarHBondContact O-N 3.38Å; A319-L322 PolarHBondContact O-N 3.08Å; A319-C323 PolarHBondContact O-N 3.24Å; A319-L351 HydrophobicContact CB-CD1 3.78Å; A319-L351 HydrophobicContact CB-CD2 3.75Å; A319-L351 HydrophobicContact CB-CG 4.41Å |
| 320 | E | 90.4 | Very high | 90.7 | Very high | 23 Ų | 23 | 53 Ų | 53 | 11% | 0.107 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -53.8 | -53.1 | -177.7 | -172.9 | -177.9 | 144.8 | 0 | 0 | 114.3 | Y316 L322 C323 K324 L348 Q355 K357 | Y316-E320 PolarHBondContact O-N 2.65Å; E320-L322 VanDerWaalsContact C-N 3.29Å; E320-L322 PolarHBondContact O-N 3.04Å; E320-C323 PolarHBondContact O-N 2.81Å; E320-K324 HydrophobicContact CG-CD 4.16Å; E320-K324 PolarHBondContact O-N 3.26Å; E320-K324 WeakPolarHBondContact OE1-CE 3.36Å; E320-K324 IonicContact OE1-NZ 2.68Å; E320-K324 PolarHBondContact OE1-NZ 2.81Å; E320-L348 HydrophobicContact CG-CD1 4.12Å; E320-Q355 PolarHBondContact OE2-NE2 3.43Å; E320-Q355 PolarHBondContact OE2-OE1 2.89Å; E320-K357 IonicContact OE1-NZ 2.67Å; E320-K357 PolarHBondContact OE1-NZ 3.35Å; E320-K357 IonicContact OE2-NZ 3.17Å; E320-K357 PolarHBondContact OE2-NZ 3Å |
| 321 | P | 92.9 | Very high | 90.8 | Very high | 74 Ų | 74 | 53.4 Ų | 53.4 | 48% | 0.481 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.7 | -33 | -179.1 | 24.7 | -34.8 | 0 | 0 | 0 | 112.9 | K317 K324 R325 | K317-P321 VanDerWaalsContact O-CD 3.25Å; K317-P321 WeakPolarHBondContact O-CD 3.38Å; P321-K324 PolarHBondContact O-N 2.81Å; P321-R325 WeakPolarHBondContact O-CB 3.5Å; P321-R325 PolarHBondContact O-N 3.19Å |
| 322 | L | 93.5 | Very high | 91.1 | Very high | 34 Ų | 34 | 59 Ų | 59 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68 | -41.7 | 175.9 | -56.8 | 176.7 | 0 | 0 | 0 | 111.3 | L303 L306 A307 Y310 A319 E320 A326 | L303-L322 HydrophobicContact CD2-CB 4.39Å; L303-L322 HydrophobicContact CD2-CD2 3.73Å; L306-L322 HydrophobicContact CB-CD1 3.94Å; A307-L322 HydrophobicContact CB-CB 4.17Å; Y310-L322 HydrophobicContact CD2-CD1 3.71Å; Y310-L322 HydrophobicContact CE2-CD1 3.69Å; A319-L322 PolarHBondContact O-N 3.08Å; E320-L322 VanDerWaalsContact C-N 3.29Å; E320-L322 PolarHBondContact O-N 3.04Å; L322-A326 VanDerWaalsContact O-CB 3.3Å; L322-A326 WeakPolarHBondContact O-CB 3.28Å; L322-A326 PolarHBondContact O-N 2.94Å |
| 323 | C | 91.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.5 | -36 | 174.7 | -100.3 | 0 | 0 | 0 | 0 | 113 | A307 A319 E320 L327 Q344 L348 L351 | A307-C323 HydrophobicContact CB-CB 4.26Å; A307-C323 WeakPolarHBondContact CB-SG 3.46Å; A319-C323 PolarHBondContact O-N 3.24Å; E320-C323 PolarHBondContact O-N 2.81Å; C323-L327 WeakPolarHBondContact O-CB 3.41Å; C323-L327 PolarHBondContact O-N 3.03Å; C323-Q344 PolarHBondContact O-NE2 2.84Å; C323-Q344 PolarHBondContact SG-NE2 2.94Å; C323-Q344 VanDerWaalsContact SG-NE2 3.39Å; C323-L348 HydrophobicContact CB-CB 4.47Å; C323-L348 HydrophobicContact CB-CD1 3.95Å; C323-L351 HydrophobicContact CB-CD1 3.83Å; C323-L351 VanDerWaalsContact SG-CD1 3.53Å |
| 324 | K | 93.2 | Very high | 91.2 | Very high | 57 Ų | 57 | 55.4 Ų | 55.4 | 25% | 0.248 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.8 | -47.6 | 174.2 | -76 | -178.8 | 171.3 | 171.2 | 0 | 111.4 | E320 P321 A326 L327 E328 L348 E360 Y364 | E320-K324 HydrophobicContact CG-CD 4.16Å; E320-K324 PolarHBondContact O-N 3.26Å; E320-K324 WeakPolarHBondContact OE1-CE 3.36Å; E320-K324 IonicContact OE1-NZ 2.68Å; E320-K324 PolarHBondContact OE1-NZ 2.81Å; P321-K324 PolarHBondContact O-N 2.81Å; K324-A326 VanDerWaalsContact C-N 3.33Å; K324-A326 PolarHBondContact O-N 3.43Å; K324-L327 WeakPolarHBondContact O-CA 3.48Å; K324-L327 VanDerWaalsContact O-CB 3.31Å; K324-L327 WeakPolarHBondContact O-CB 3.4Å; K324-L327 PolarHBondContact O-N 2.99Å; K324-E328 WeakPolarHBondContact O-CG 3.5Å; K324-E328 PolarHBondContact O-N 3.31Å; K324-L348 HydrophobicContact CG-CD1 3.87Å; K324-L348 HydrophobicContact CG-CD2 3.9Å; K324-E360 IonicContact NZ-OE2 2.65Å; K324-E360 PolarHBondContact NZ-OE2 3.32Å; K324-Y364 WeakPolarHBondContact CE-OH 3.42Å |
| 325 | R | 94 | Very high | 91.4 | Very high | 71 Ų | 71 | 55 Ų | 55 | 27% | 0.268 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 173.6 | -174.7 | 179 | 168 | -150.9 | -11.8 | 112.6 | E289 R294 L303 P321 L327 E328 I329 | E289-R325 VanDerWaalsContact CD-NH2 3.3Å; E289-R325 IonicContact OE1-CZ 4Å; E289-R325 IonicContact OE1-NH1 2.78Å; E289-R325 PolarHBondContact OE1-NH1 2.9Å; E289-R325 IonicContact OE1-NH2 2.8Å; E289-R325 PolarHBondContact OE1-NH2 3.49Å; E289-R325 IonicContact OE2-NH2 3.82Å; R294-R325 PolarHBondContact O-NH2 2.95Å; L303-R325 HydrophobicContact CD1-CB 4.21Å; L303-R325 HydrophobicContact CD1-CG 3.8Å; P321-R325 WeakPolarHBondContact O-CB 3.5Å; P321-R325 PolarHBondContact O-N 3.19Å; R325-L327 VanDerWaalsContact C-N 3.29Å; R325-L327 PolarHBondContact O-N 2.91Å; R325-E328 PolarHBondContact O-N 3Å; R325-I329 HydrophobicContact CG-CD1 4.14Å; R325-I329 VanDerWaalsContact O-CG1 3.28Å; R325-I329 WeakPolarHBondContact O-CG1 3.33Å; R325-I329 PolarHBondContact O-N 3.41Å; R325-I329 VanDerWaalsContact O-N 3.11Å |
| 326 | A | 92.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.2 | -32.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A300 L303 L322 K324 R330 Q344 | A300-A326 HydrophobicContact CB-CB 4.4Å; A300-A326 VanDerWaalsContact O-CB 3.3Å; A300-A326 WeakPolarHBondContact O-CB 3.41Å; L303-A326 HydrophobicContact CB-CB 3.94Å; L322-A326 VanDerWaalsContact O-CB 3.3Å; L322-A326 WeakPolarHBondContact O-CB 3.28Å; L322-A326 PolarHBondContact O-N 2.94Å; K324-A326 VanDerWaalsContact C-N 3.33Å; K324-A326 PolarHBondContact O-N 3.43Å; A326-R330 WeakPolarHBondContact O-CB 3.42Å; A326-R330 VanDerWaalsContact O-CG 3.27Å; A326-R330 WeakPolarHBondContact O-CG 3.35Å; A326-R330 PolarHBondContact O-N 3.45Å; A326-R330 VanDerWaalsContact O-N 3.17Å; A326-Q344 HydrophobicContact CB-CG 4.48Å |
| 327 | L | 92.8 | Very high | 91.4 | Very high | 16 Ų | 16 | 59.5 Ų | 59.5 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.8 | -50.4 | 173.7 | -178.8 | 68 | 0 | 0 | 0 | 111.1 | C323 K324 R325 I329 R330 E331 V341 Q344 L345 L348 | C323-L327 WeakPolarHBondContact O-CB 3.41Å; C323-L327 PolarHBondContact O-N 3.03Å; K324-L327 WeakPolarHBondContact O-CA 3.48Å; K324-L327 VanDerWaalsContact O-CB 3.31Å; K324-L327 WeakPolarHBondContact O-CB 3.4Å; K324-L327 PolarHBondContact O-N 2.99Å; R325-L327 VanDerWaalsContact C-N 3.29Å; R325-L327 PolarHBondContact O-N 2.91Å; L327-I329 VanDerWaalsContact C-N 3.3Å; L327-I329 PolarHBondContact O-N 3.33Å; L327-R330 PolarHBondContact O-N 2.9Å; L327-R330 VanDerWaalsContact O-N 3.11Å; L327-E331 HydrophobicContact CD1-CG 4.37Å; L327-E331 HydrophobicContact CG-CG 4.42Å; L327-E331 WeakPolarHBondContact O-CG 3.43Å; L327-E331 PolarHBondContact O-N 3.01Å; L327-V341 HydrophobicContact CD1-CG1 3.73Å; L327-Q344 HydrophobicContact CB-CG 3.84Å; L327-Q344 HydrophobicContact CD1-CB 3.98Å; L327-Q344 HydrophobicContact CD1-CG 4Å; L327-L345 HydrophobicContact CD1-CD2 4Å; L327-L345 HydrophobicContact CD1-CG 3.85Å; L327-L345 HydrophobicContact CD2-CD2 3.73Å; L327-L345 HydrophobicContact CD2-CG 4.49Å; L327-L348 HydrophobicContact CD2-CD2 4.07Å |
| 328 | E | 93.6 | Very high | 91.4 | Very high | 110 Ų | 110 | 54.2 Ų | 54.2 | 51% | 0.514 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -54.4 | -45.1 | 177.8 | -69.8 | 162.2 | -157.6 | 0 | 0 | 112.1 | K324 R325 E331 K332 | K324-E328 WeakPolarHBondContact O-CG 3.5Å; K324-E328 PolarHBondContact O-N 3.31Å; R325-E328 PolarHBondContact O-N 3Å; E328-E331 PolarHBondContact O-N 3.46Å; E328-K332 WeakPolarHBondContact O-CG 3.48Å; E328-K332 PolarHBondContact O-N 3.18Å |
| 329 | I | 92.2 | Very high | 91.4 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 177.2 | -62.7 | 164.8 | 0 | 0 | 0 | 111.2 | R294 D295 V299 A300 L303 R325 L327 E331 K332 V333 | R294-I329 VanDerWaalsContact O-CD1 3.3Å; R294-I329 WeakPolarHBondContact O-CD1 3.3Å; D295-I329 WeakPolarHBondContact O-CG2 3.37Å; V299-I329 HydrophobicContact CG1-CD1 4.11Å; A300-I329 HydrophobicContact CB-CB 3.82Å; A300-I329 HydrophobicContact CB-CD1 4.25Å; A300-I329 HydrophobicContact CB-CG2 3.7Å; L303-I329 HydrophobicContact CD1-CD1 3.9Å; R325-I329 HydrophobicContact CG-CD1 4.14Å; R325-I329 VanDerWaalsContact O-CG1 3.28Å; R325-I329 WeakPolarHBondContact O-CG1 3.33Å; R325-I329 PolarHBondContact O-N 3.41Å; R325-I329 VanDerWaalsContact O-N 3.11Å; L327-I329 VanDerWaalsContact C-N 3.3Å; L327-I329 PolarHBondContact O-N 3.33Å; I329-E331 VanDerWaalsContact C-N 3.35Å; I329-E331 PolarHBondContact O-N 3.3Å; I329-K332 PolarHBondContact O-N 3.33Å; I329-V333 HydrophobicContact CG2-CG2 4.4Å; I329-V333 WeakPolarHBondContact O-CG2 3.47Å; I329-V333 PolarHBondContact O-N 3.5Å |
| 330 | R | 90.9 | Very high | 91.2 | Very high | 27 Ų | 27 | 53.3 Ų | 53.3 | 10% | 0.102 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 177.9 | -74.9 | 172.4 | 177.7 | -77.2 | 1.1 | 111.9 | A300 A326 L327 L334 D340 V341 | A300-R330 HydrophobicContact CB-CG 4.14Å; A326-R330 WeakPolarHBondContact O-CB 3.42Å; A326-R330 VanDerWaalsContact O-CG 3.27Å; A326-R330 WeakPolarHBondContact O-CG 3.35Å; A326-R330 PolarHBondContact O-N 3.45Å; A326-R330 VanDerWaalsContact O-N 3.17Å; L327-R330 PolarHBondContact O-N 2.9Å; L327-R330 VanDerWaalsContact O-N 3.11Å; R330-L334 WeakPolarHBondContact O-CB 3.19Å; R330-L334 PolarHBondContact O-N 3Å; R330-D340 IonicContact CZ-OD2 3.36Å; R330-D340 VanDerWaalsContact NH1-CG 3.32Å; R330-D340 IonicContact NH1-OD2 3.38Å; R330-D340 PolarHBondContact NH1-OD2 2.7Å; R330-V341 HydrophobicContact CB-CG2 4Å |
| 331 | E | 92.9 | Very high | 91.3 | Very high | 41 Ų | 41 | 52.2 Ų | 52.2 | 19% | 0.192 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.9 | -40.1 | 176 | -72.5 | -173.7 | 178.9 | 0 | 0 | 112.6 | L327 E328 I329 G335 K336 V341 R367 | L327-E331 HydrophobicContact CD1-CG 4.37Å; L327-E331 HydrophobicContact CG-CG 4.42Å; L327-E331 WeakPolarHBondContact O-CG 3.43Å; L327-E331 PolarHBondContact O-N 3.01Å; E328-E331 PolarHBondContact O-N 3.46Å; I329-E331 VanDerWaalsContact C-N 3.35Å; I329-E331 PolarHBondContact O-N 3.3Å; E331-G335 CarbonylContact O-C 3.53Å; E331-G335 WeakPolarHBondContact O-CA 3.44Å; E331-G335 PolarHBondContact O-N 2.89Å; E331-G335 VanDerWaalsContact O-N 3.1Å; E331-K336 HydrophobicContact CB-CG 4.44Å; E331-K336 HydrophobicContact CG-CG 4.46Å; E331-V341 HydrophobicContact CG-CG1 3.78Å; E331-V341 HydrophobicContact CG-CG2 4.02Å; E331-R367 IonicContact OE1-CZ 2.66Å; E331-R367 IonicContact OE1-NH1 3.47Å; E331-R367 PolarHBondContact OE1-NH1 3.49Å; E331-R367 IonicContact OE1-NH2 3.41Å; E331-R367 PolarHBondContact OE1-NH2 3.47Å |
| 332 | K | 91.6 | Very high | 91.3 | Very high | 129 Ų | 129 | 48.7 Ų | 48.7 | 56% | 0.561 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.5 | -47.6 | 174.8 | -76.6 | 175.2 | -178.9 | 178.2 | 0 | 112.4 | D295 E328 I329 | D295-K332 IonicContact OD1-NZ 2.96Å; D295-K332 PolarHBondContact OD1-NZ 2.78Å; D295-K332 IonicContact OD2-NZ 2.82Å; D295-K332 PolarHBondContact OD2-NZ 3.05Å; E328-K332 WeakPolarHBondContact O-CG 3.48Å; E328-K332 PolarHBondContact O-N 3.18Å; I329-K332 PolarHBondContact O-N 3.33Å |
| 333 | V | 89.3 | Confident | 91.1 | Very high | 74 Ų | 74 | 50.3 Ų | 50.3 | 45% | 0.448 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -85 | -37.7 | -170.3 | -179.4 | 0 | 0 | 0 | 0 | 112.8 | D295 P297 I329 | D295-V333 WeakPolarHBondContact O-CG2 3.33Å; P297-V333 HydrophobicContact CG-CB 4.43Å; P297-V333 HydrophobicContact CG-CG1 3.81Å; P297-V333 HydrophobicContact CG-CG2 4.47Å; I329-V333 HydrophobicContact CG2-CG2 4.4Å; I329-V333 WeakPolarHBondContact O-CG2 3.47Å; I329-V333 PolarHBondContact O-N 3.5Å |
| 334 | L | 87.4 | Confident | 91 | Very high | 65 Ų | 65 | 50.3 Ų | 50.3 | 34% | 0.34 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -105.8 | -10.6 | -173.3 | -53.8 | 173.1 | 0 | 0 | 0 | 113.3 | R330 H338 D340 | R330-L334 WeakPolarHBondContact O-CB 3.19Å; R330-L334 PolarHBondContact O-N 3Å; L334-H338 HydrophobicContact CB-CB 3.72Å; L334-D340 HydrophobicContact CD1-CB 3.84Å |
| 335 | G | 89.8 | Confident | 91.1 | Very high | 32 Ų | 32 | 47.6 Ų | 47.6 | 33% | 0.33 | 24% | 0.236 | S | C | . | . | trans | 84.8 | 156.1 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E331 D337 H338 V341 | E331-G335 CarbonylContact O-C 3.53Å; E331-G335 WeakPolarHBondContact O-CA 3.44Å; E331-G335 PolarHBondContact O-N 2.89Å; E331-G335 VanDerWaalsContact O-N 3.1Å; G335-D337 PolarHBondContact O-N 2.96Å; G335-H338 PolarHBondContact O-N 2.67Å; G335-V341 WeakPolarHBondContact O-CG2 2.93Å | ||
| 336 | K | 90.4 | Very high | 91 | Very high | 136 Ų | 136 | 45.2 Ų | 45.2 | 59% | 0.591 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22.2 | -172 | -69.1 | -177.4 | 177.4 | -179.8 | 0 | 115.2 | E331 R367 I371 | E331-K336 HydrophobicContact CB-CG 4.44Å; E331-K336 HydrophobicContact CG-CG 4.46Å; K336-R367 PolarHBondContact O-NH2 3.44Å; K336-I371 WeakPolarHBondContact O-CD1 3.32Å |
| 337 | D | 89.7 | Confident | 90.8 | Very high | 94 Ų | 94 | 47.3 Ų | 47.3 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 18.2 | -172.9 | -46 | -29.4 | 0 | 0 | 0 | 112.5 | G335 I371 K375 | G335-D337 PolarHBondContact O-N 2.96Å; D337-I371 WeakPolarHBondContact O-CG2 3.35Å; D337-K375 WeakPolarHBondContact O-CE 3.49Å; D337-K375 VanDerWaalsContact O-CG 3.26Å; D337-K375 WeakPolarHBondContact O-CG 3.39Å |
| 338 | H | 89.3 | Confident | 90.8 | Very high | 69 Ų | 69 | 46.6 Ų | 46.6 | 32% | 0.319 | 24% | 0.236 | S | C | . | . | trans | -82.9 | 141.1 | -178.2 | -168.5 | -92 | 0 | 0 | 0 | 111.6 | L334 G335 D340 V341 A342 | L334-H338 HydrophobicContact CB-CB 3.72Å; G335-H338 PolarHBondContact O-N 2.67Å; H338-D340 WeakPolarHBondContact ND1-CB 3.4Å; H338-D340 PolarHBondContact ND1-N 2.67Å; H338-D340 PolarHBondContact O-N 2.93Å; H338-V341 HydrophobicContact CB-CG2 4.32Å; H338-V341 WeakPolarHBondContact O-CA 3.33Å; H338-V341 VanDerWaalsContact O-CB 3.3Å; H338-V341 WeakPolarHBondContact O-CB 3.09Å; H338-V341 PolarHBondContact O-N 3.36Å; H338-A342 PolarHBondContact O-N 2.94Å | ||
| 339 | P | 90 | Very high | 90.7 | Very high | 31 Ų | 31 | 41.4 Ų | 41.4 | 20% | 0.201 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.5 | -29.9 | -179.9 | -30.2 | 36.9 | 0 | 0 | 0 | 115.4 | V341 A342 K343 Y372 K375 L376 | P339-V341 VanDerWaalsContact C-N 3.34Å; P339-A342 WeakPolarHBondContact O-CB 3.44Å; P339-A342 PolarHBondContact O-N 3.14Å; P339-K343 PolarHBondContact O-N 3.3Å; P339-Y372 HydrophobicContact CB-CD1 4.32Å; P339-Y372 HydrophobicContact CB-CE1 4.07Å; P339-Y372 WeakPolarHBondContact O-CE1 3.46Å; P339-K375 HydrophobicContact CG-CB 4.06Å; P339-L376 HydrophobicContact CB-CD1 4.27Å; P339-L376 HydrophobicContact CB-CG 4.48Å; P339-L376 HydrophobicContact CG-CD2 4.04Å; P339-L376 HydrophobicContact CG-CG 4.19Å |
| 340 | D | 86.6 | Confident | 90.6 | Very high | 34 Ų | 34 | 45.1 Ų | 45.1 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.5 | -24.5 | 174.2 | -102 | 27.3 | 0 | 0 | 0 | 113.5 | R330 L334 H338 Q344 | R330-D340 IonicContact CZ-OD2 3.36Å; R330-D340 VanDerWaalsContact NH1-CG 3.32Å; R330-D340 IonicContact NH1-OD2 3.38Å; R330-D340 PolarHBondContact NH1-OD2 2.7Å; L334-D340 HydrophobicContact CD1-CB 3.84Å; H338-D340 WeakPolarHBondContact ND1-CB 3.4Å; H338-D340 PolarHBondContact ND1-N 2.67Å; H338-D340 PolarHBondContact O-N 2.93Å; D340-Q344 PolarHBondContact O-N 3.48Å; D340-Q344 VanDerWaalsContact O-N 3.12Å |
| 341 | V | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.5 | -43.8 | 169.2 | 173.8 | 0 | 0 | 0 | 0 | 109.5 | L327 R330 E331 G335 H338 P339 K343 Q344 L345 I371 | L327-V341 HydrophobicContact CD1-CG1 3.73Å; R330-V341 HydrophobicContact CB-CG2 4Å; E331-V341 HydrophobicContact CG-CG1 3.78Å; E331-V341 HydrophobicContact CG-CG2 4.02Å; G335-V341 WeakPolarHBondContact O-CG2 2.93Å; H338-V341 HydrophobicContact CB-CG2 4.32Å; H338-V341 WeakPolarHBondContact O-CA 3.33Å; H338-V341 VanDerWaalsContact O-CB 3.3Å; H338-V341 WeakPolarHBondContact O-CB 3.09Å; H338-V341 PolarHBondContact O-N 3.36Å; P339-V341 VanDerWaalsContact C-N 3.34Å; V341-K343 VanDerWaalsContact C-N 3.29Å; V341-K343 PolarHBondContact O-N 3.14Å; V341-Q344 WeakPolarHBondContact O-CB 3.45Å; V341-Q344 PolarHBondContact O-N 3.05Å; V341-Q344 VanDerWaalsContact O-N 3.1Å; V341-L345 HydrophobicContact CG1-CD1 4.1Å; V341-L345 HydrophobicContact CG1-CG 4.43Å; V341-L345 WeakPolarHBondContact O-CG 3.42Å; V341-L345 PolarHBondContact O-N 2.9Å; V341-I371 HydrophobicContact CG1-CD1 4.34Å |
| 342 | A | 92.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.6 | -37.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | H338 P339 Q344 L345 N346 A368 I371 Y372 | H338-A342 PolarHBondContact O-N 2.94Å; P339-A342 WeakPolarHBondContact O-CB 3.44Å; P339-A342 PolarHBondContact O-N 3.14Å; A342-Q344 VanDerWaalsContact C-N 3.33Å; A342-Q344 PolarHBondContact O-N 3.25Å; A342-L345 PolarHBondContact O-N 3.37Å; A342-N346 WeakPolarHBondContact O-CB 3.43Å; A342-N346 PolarHBondContact O-N 3.06Å; A342-A368 HydrophobicContact CB-CB 4.06Å; A342-A368 WeakPolarHBondContact CB-O 3.43Å; A342-I371 HydrophobicContact CB-CB 3.91Å; A342-I371 HydrophobicContact CB-CD1 4.34Å; A342-I371 HydrophobicContact CB-CG2 3.73Å; A342-Y372 HydrophobicContact CB-CD1 3.94Å; A342-Y372 HydrophobicContact CB-CD2 3.94Å; A342-Y372 HydrophobicContact CB-CE1 3.65Å; A342-Y372 HydrophobicContact CB-CE2 3.64Å; A342-Y372 HydrophobicContact CB-CG 4.09Å |
| 343 | K | 90.4 | Very high | 90.3 | Very high | 67 Ų | 67 | 36.9 Ų | 36.9 | 29% | 0.291 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.3 | -39.5 | 173.9 | -167.6 | 172.1 | -179.3 | 173.3 | 0 | 112 | P339 V341 N347 Y372 | P339-K343 PolarHBondContact O-N 3.3Å; V341-K343 VanDerWaalsContact C-N 3.29Å; V341-K343 PolarHBondContact O-N 3.14Å; K343-N347 PolarHBondContact O-N 3.07Å; K343-Y372 WeakPolarHBondContact CA-OH 3.38Å; K343-Y372 WeakPolarHBondContact CB-OH 3.43Å; K343-Y372 PolarHBondContact N-OH 3.1Å; K343-Y372 VanDerWaalsContact N-OH 3.08Å |
| 344 | Q | 90.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.009 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.3 | -40.7 | 177 | -167.6 | 62.4 | 36.8 | 0 | 0 | 112.3 | N304 C323 A326 L327 D340 V341 A342 N346 N347 L348 | N304-Q344 PolarHBondContact OD1-NE2 3.25Å; N304-Q344 PolarHBondContact OD1-OE1 2.92Å; N304-Q344 VanDerWaalsContact OD1-OE1 3.1Å; C323-Q344 PolarHBondContact O-NE2 2.84Å; C323-Q344 PolarHBondContact SG-NE2 2.94Å; C323-Q344 VanDerWaalsContact SG-NE2 3.39Å; A326-Q344 HydrophobicContact CB-CG 4.48Å; L327-Q344 HydrophobicContact CB-CG 3.84Å; L327-Q344 HydrophobicContact CD1-CB 3.98Å; L327-Q344 HydrophobicContact CD1-CG 4Å; D340-Q344 PolarHBondContact O-N 3.48Å; D340-Q344 VanDerWaalsContact O-N 3.12Å; V341-Q344 WeakPolarHBondContact O-CB 3.45Å; V341-Q344 PolarHBondContact O-N 3.05Å; V341-Q344 VanDerWaalsContact O-N 3.1Å; A342-Q344 VanDerWaalsContact C-N 3.33Å; A342-Q344 PolarHBondContact O-N 3.25Å; Q344-N346 VanDerWaalsContact C-N 3.33Å; Q344-N346 PolarHBondContact O-N 3.24Å; Q344-N347 PolarHBondContact O-N 2.85Å; Q344-L348 PolarHBondContact O-N 3.05Å |
| 345 | L | 94.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.5 | -43.3 | 172.8 | -74.2 | 167.7 | 0 | 0 | 0 | 111.4 | L327 V341 A342 N347 L348 A349 Y364 R367 A368 I371 | L327-L345 HydrophobicContact CD1-CD2 4Å; L327-L345 HydrophobicContact CD1-CG 3.85Å; L327-L345 HydrophobicContact CD2-CD2 3.73Å; L327-L345 HydrophobicContact CD2-CG 4.49Å; V341-L345 HydrophobicContact CG1-CD1 4.1Å; V341-L345 HydrophobicContact CG1-CG 4.43Å; V341-L345 WeakPolarHBondContact O-CG 3.42Å; V341-L345 PolarHBondContact O-N 2.9Å; A342-L345 PolarHBondContact O-N 3.37Å; L345-N347 VanDerWaalsContact C-N 3.32Å; L345-N347 PolarHBondContact O-N 2.96Å; L345-L348 PolarHBondContact O-N 3.41Å; L345-A349 VanDerWaalsContact O-CB 3.29Å; L345-A349 WeakPolarHBondContact O-CB 3.41Å; L345-A349 PolarHBondContact O-N 3.23Å; L345-Y364 HydrophobicContact CD2-CD1 3.72Å; L345-Y364 HydrophobicContact CD2-CG 4.34Å; L345-R367 HydrophobicContact CD1-CB 4.15Å; L345-R367 HydrophobicContact CD1-CG 3.8Å; L345-A368 HydrophobicContact CB-CB 3.95Å; L345-A368 HydrophobicContact CD1-CB 4.48Å; L345-I371 HydrophobicContact CD1-CD1 4.04Å |
| 346 | N | 91.7 | Very high | 90.2 | Very high | 20 Ų | 20 | 36.3 Ų | 36.3 | 11% | 0.107 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.6 | -41 | 174.5 | -93.4 | -20.9 | 0 | 0 | 0 | 113.3 | A342 Q344 L350 Y365 T386 | A342-N346 WeakPolarHBondContact O-CB 3.43Å; A342-N346 PolarHBondContact O-N 3.06Å; Q344-N346 VanDerWaalsContact C-N 3.33Å; Q344-N346 PolarHBondContact O-N 3.24Å; N346-L350 PolarHBondContact O-N 3.08Å; N346-L350 VanDerWaalsContact O-N 3.15Å; N346-Y365 HydrophobicContact CB-CE1 4.45Å; N346-Y365 WeakPolarHBondContact OD1-CD1 3.46Å; N346-Y365 VanDerWaalsContact OD1-CE1 3.22Å; N346-Y365 WeakPolarHBondContact OD1-CE1 3.35Å; N346-T386 PolarHBondContact ND2-OG1 3.18Å; N346-T386 WeakPolarHBondContact OD1-CG2 3.42Å |
| 347 | N | 89.8 | Confident | 90.2 | Very high | 45 Ų | 45 | 33 Ų | 33 | 24% | 0.241 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.4 | -41.8 | 177.3 | -68.5 | -14.9 | 0 | 0 | 0 | 111.6 | N304 K343 Q344 L345 L350 L351 | N304-N347 PolarHBondContact OD1-ND2 3.34Å; K343-N347 PolarHBondContact O-N 3.07Å; Q344-N347 PolarHBondContact O-N 2.85Å; L345-N347 VanDerWaalsContact C-N 3.32Å; L345-N347 PolarHBondContact O-N 2.96Å; N347-L350 PolarHBondContact O-N 2.99Å; N347-L351 WeakPolarHBondContact O-CG 3.3Å; N347-L351 PolarHBondContact O-N 3.45Å; N347-L351 VanDerWaalsContact O-N 3.14Å |
| 348 | L | 91.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 176.5 | -178.7 | 61.4 | 0 | 0 | 0 | 111.5 | E320 C323 K324 L327 Q344 L345 L350 L351 C352 Y364 | E320-L348 HydrophobicContact CG-CD1 4.12Å; C323-L348 HydrophobicContact CB-CB 4.47Å; C323-L348 HydrophobicContact CB-CD1 3.95Å; K324-L348 HydrophobicContact CG-CD1 3.87Å; K324-L348 HydrophobicContact CG-CD2 3.9Å; L327-L348 HydrophobicContact CD2-CD2 4.07Å; Q344-L348 PolarHBondContact O-N 3.05Å; L345-L348 PolarHBondContact O-N 3.41Å; L348-L350 VanDerWaalsContact C-N 3.34Å; L348-L350 PolarHBondContact O-N 3.2Å; L348-L351 PolarHBondContact O-N 3.33Å; L348-C352 PolarHBondContact O-N 3.32Å; L348-Y364 HydrophobicContact CD2-CD1 4.2Å; L348-Y364 HydrophobicContact CD2-CD2 4.14Å; L348-Y364 HydrophobicContact CD2-CE1 3.8Å; L348-Y364 HydrophobicContact CD2-CE2 3.75Å; L348-Y364 HydrophobicContact CD2-CG 4.39Å; L348-Y364 HydrophobicContact CG-CD2 3.97Å; L348-Y364 HydrophobicContact CG-CE2 3.74Å |
| 349 | A | 92.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57 | -45 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L345 L351 C352 Q353 V361 Y365 | L345-A349 VanDerWaalsContact O-CB 3.29Å; L345-A349 WeakPolarHBondContact O-CB 3.41Å; L345-A349 PolarHBondContact O-N 3.23Å; A349-L351 VanDerWaalsContact C-N 3.34Å; A349-L351 PolarHBondContact O-N 2.83Å; A349-C352 PolarHBondContact O-N 2.93Å; A349-Q353 WeakPolarHBondContact O-CB 3.41Å; A349-Q353 PolarHBondContact O-N 3.04Å; A349-V361 HydrophobicContact CB-CG1 4.27Å; A349-V361 WeakPolarHBondContact O-CG2 3.21Å; A349-Y365 HydrophobicContact CB-CD1 3.69Å; A349-Y365 HydrophobicContact CB-CD2 3.98Å; A349-Y365 HydrophobicContact CB-CE1 3.44Å; A349-Y365 VanDerWaalsContact CB-CE1 3.44Å; A349-Y365 HydrophobicContact CB-CE2 3.77Å; A349-Y365 HydrophobicContact CB-CG 3.92Å; A349-Y365 VanDerWaalsContact CB-CZ 3.44Å |
| 350 | L | 89.5 | Confident | 90.2 | Very high | 81 Ų | 81 | 38.4 Ų | 38.4 | 42% | 0.424 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 177.1 | -175.1 | 62.5 | 0 | 0 | 0 | 112.4 | N346 N347 L348 Q353 N354 Y365 | N346-L350 PolarHBondContact O-N 3.08Å; N346-L350 VanDerWaalsContact O-N 3.15Å; N347-L350 PolarHBondContact O-N 2.99Å; L348-L350 VanDerWaalsContact C-N 3.34Å; L348-L350 PolarHBondContact O-N 3.2Å; L350-Q353 PolarHBondContact O-N 3.14Å; L350-N354 PolarHBondContact O-N 3.37Å; L350-N354 PolarHBondContact O-ND2 3.35Å; L350-Y365 PolarHBondContact N-OH 3.41Å |
| 351 | L | 89.9 | Confident | 90.5 | Very high | 14 Ų | 14 | 36.8 Ų | 36.8 | 7% | 0.073 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -66.4 | -42.9 | 174.7 | -69 | 173.9 | 0 | 0 | 0 | 112.3 | A307 Y316 A319 C323 N347 L348 A349 Q353 N354 Q355 | A307-L351 HydrophobicContact CB-CD1 4.35Å; Y316-L351 HydrophobicContact CD1-CD2 3.96Å; A319-L351 HydrophobicContact CB-CD1 3.78Å; A319-L351 HydrophobicContact CB-CD2 3.75Å; A319-L351 HydrophobicContact CB-CG 4.41Å; C323-L351 HydrophobicContact CB-CD1 3.83Å; C323-L351 VanDerWaalsContact SG-CD1 3.53Å; N347-L351 WeakPolarHBondContact O-CG 3.3Å; N347-L351 PolarHBondContact O-N 3.45Å; N347-L351 VanDerWaalsContact O-N 3.14Å; L348-L351 PolarHBondContact O-N 3.33Å; A349-L351 VanDerWaalsContact C-N 3.34Å; A349-L351 PolarHBondContact O-N 2.83Å; L351-Q353 VanDerWaalsContact C-N 3.33Å; L351-N354 PolarHBondContact O-N 3.47Å; L351-Q355 PolarHBondContact O-N 2.93Å |
| 352 | C | 89.9 | Confident | 90.4 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.9 | -33.5 | 175.6 | -73.1 | 0 | 0 | 0 | 0 | 112 | L348 A349 N354 Q355 G356 K357 E360 V361 | L348-C352 PolarHBondContact O-N 3.32Å; A349-C352 PolarHBondContact O-N 2.93Å; C352-N354 PolarHBondContact O-N 3.11Å; C352-Q355 CarbonylContact O-C 3.54Å; C352-Q355 PolarHBondContact O-N 3.47Å; C352-Q355 VanDerWaalsContact O-N 3.09Å; C352-G356 PolarHBondContact O-N 3Å; C352-K357 HydrophobicContact CB-CB 4.09Å; C352-K357 HydrophobicContact CB-CD 4.32Å; C352-K357 PolarHBondContact O-N 3.17Å; C352-E360 HydrophobicContact CB-CB 4.4Å; C352-V361 HydrophobicContact CB-CG2 3.64Å |
| 353 | Q | 88.8 | Confident | 90.5 | Very high | 10 Ų | 10 | 45.6 Ų | 45.6 | 5% | 0.047 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.9 | -38.7 | 177.1 | -162.2 | -161.3 | 53.7 | 0 | 0 | 111.9 | A349 L350 L351 Q355 G356 Y358 V361 C393 K396 | A349-Q353 WeakPolarHBondContact O-CB 3.41Å; A349-Q353 PolarHBondContact O-N 3.04Å; L350-Q353 PolarHBondContact O-N 3.14Å; L351-Q353 VanDerWaalsContact C-N 3.33Å; Q353-Q355 PolarHBondContact O-N 3.19Å; Q353-G356 PolarHBondContact O-N 2.86Å; Q353-Y358 HydrophobicContact CG-CE1 4.34Å; Q353-V361 HydrophobicContact CB-CG1 4.08Å; Q353-V361 HydrophobicContact CB-CG2 3.84Å; Q353-V361 HydrophobicContact CG-CG1 4.3Å; Q353-C393 VanDerWaalsContact NE2-CA 3.32Å; Q353-K396 VanDerWaalsContact CD-NZ 3.32Å; Q353-K396 HydrophobicContact CG-CD 4.08Å |
| 354 | N | 87.9 | Confident | 90.7 | Very high | 66 Ų | 66 | 43.5 Ų | 43.5 | 35% | 0.353 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -73.7 | -12.9 | 175.3 | -67.8 | -25.4 | 0 | 0 | 0 | 113.4 | Y316 L350 L351 C352 | Y316-N354 HydrophobicContact CD1-CB 3.93Å; Y316-N354 HydrophobicContact CD2-CB 4.02Å; Y316-N354 HydrophobicContact CE1-CB 3.69Å; Y316-N354 WeakPolarHBondContact CE1-ND2 3.39Å; Y316-N354 HydrophobicContact CE2-CB 3.78Å; Y316-N354 HydrophobicContact CG-CB 4.09Å; L350-N354 PolarHBondContact O-N 3.37Å; L350-N354 PolarHBondContact O-ND2 3.35Å; L351-N354 PolarHBondContact O-N 3.47Å; C352-N354 PolarHBondContact O-N 3.11Å |
| 355 | Q | 88.3 | Confident | 90.9 | Very high | 57 Ų | 57 | 43.5 Ų | 43.5 | 27% | 0.266 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -3.1 | 170 | -66.6 | -176.9 | 78.8 | 0 | 0 | 113.3 | Y316 E320 L351 C352 Q353 K357 | Y316-Q355 HydrophobicContact CG-CG 4.46Å; E320-Q355 PolarHBondContact OE2-NE2 3.43Å; E320-Q355 PolarHBondContact OE2-OE1 2.89Å; L351-Q355 PolarHBondContact O-N 2.93Å; C352-Q355 CarbonylContact O-C 3.54Å; C352-Q355 PolarHBondContact O-N 3.47Å; C352-Q355 VanDerWaalsContact O-N 3.09Å; Q353-Q355 PolarHBondContact O-N 3.19Å; Q355-K357 VanDerWaalsContact C-N 3.31Å; Q355-K357 HydrophobicContact CB-CD 4.11Å; Q355-K357 HydrophobicContact CB-CG 4.11Å; Q355-K357 PolarHBondContact O-N 3.34Å |
| 356 | G | 88 | Confident | 90.9 | Very high | 35 Ų | 35 | 48.6 Ų | 48.6 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 12.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | C352 Q353 Y358 | C352-G356 PolarHBondContact O-N 3Å; Q353-G356 PolarHBondContact O-N 2.86Å; G356-Y358 WeakPolarHBondContact O-CD2 3.44Å; G356-Y358 PolarHBondContact O-N 3.46Å |
| 357 | K | 91.6 | Very high | 91 | Very high | 66 Ų | 66 | 49.7 Ų | 49.7 | 29% | 0.287 | 24% | 0.237 | S | C | . | . | trans | -80.2 | 57.7 | -179.2 | -66.4 | 170.4 | 152.7 | -152.5 | 0 | 111.9 | E320 C352 Q355 E359 E360 V361 | E320-K357 IonicContact OE1-NZ 2.67Å; E320-K357 PolarHBondContact OE1-NZ 3.35Å; E320-K357 IonicContact OE2-NZ 3.17Å; E320-K357 PolarHBondContact OE2-NZ 3Å; C352-K357 HydrophobicContact CB-CB 4.09Å; C352-K357 HydrophobicContact CB-CD 4.32Å; C352-K357 PolarHBondContact O-N 3.17Å; Q355-K357 VanDerWaalsContact C-N 3.31Å; Q355-K357 HydrophobicContact CB-CD 4.11Å; Q355-K357 HydrophobicContact CB-CG 4.11Å; Q355-K357 PolarHBondContact O-N 3.34Å; K357-E359 VanDerWaalsContact C-N 3.29Å; K357-E359 PolarHBondContact O-N 3.27Å; K357-E359 VanDerWaalsContact O-N 3.14Å; K357-E360 HydrophobicContact CB-CB 4.4Å; K357-E360 WeakPolarHBondContact CD-OE1 3.41Å; K357-E360 WeakPolarHBondContact CE-OE1 3.16Å; K357-E360 IonicContact NZ-OE1 2.73Å; K357-E360 PolarHBondContact NZ-OE1 3.08Å; K357-E360 PolarHBondContact O-N 3.18Å; K357-E360 VanDerWaalsContact O-N 3.16Å; K357-V361 WeakPolarHBondContact O-CG2 3.5Å; K357-V361 PolarHBondContact O-N 3.43Å | ||
| 358 | Y | 89.2 | Confident | 91.2 | Very high | 80 Ų | 80 | 47.5 Ų | 47.5 | 31% | 0.314 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.9 | -31.2 | -163.7 | -65.5 | -65.5 | 0 | 0 | 0 | 115.7 | Q353 G356 V361 E362 K396 Q397 | Q353-Y358 HydrophobicContact CG-CE1 4.34Å; G356-Y358 WeakPolarHBondContact O-CD2 3.44Å; G356-Y358 PolarHBondContact O-N 3.46Å; Y358-V361 WeakPolarHBondContact O-CB 3.34Å; Y358-V361 PolarHBondContact O-N 3.48Å; Y358-E362 PolarHBondContact O-N 3.17Å; Y358-K396 HydrophobicContact CE1-CB 3.83Å; Y358-K396 HydrophobicContact CE1-CD 4.38Å; Y358-Q397 HydrophobicContact CD1-CG 3.75Å; Y358-Q397 HydrophobicContact CD2-CG 4.24Å; Y358-Q397 HydrophobicContact CE1-CG 4.4Å; Y358-Q397 HydrophobicContact CG-CG 3.66Å |
| 359 | E | 88.6 | Confident | 91.3 | Very high | 176 Ų | 176 | 48.6 Ų | 48.6 | 82% | 0.822 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -66.1 | -46.3 | 176.9 | -64 | 170.3 | -179.2 | 0 | 0 | 112.2 | K357 V361 E362 Y363 | K357-E359 VanDerWaalsContact C-N 3.29Å; K357-E359 PolarHBondContact O-N 3.27Å; K357-E359 VanDerWaalsContact O-N 3.14Å; E359-V361 PolarHBondContact O-N 3.07Å; E359-E362 PolarHBondContact O-N 3.44Å; E359-Y363 PolarHBondContact O-N 3.15Å; E359-Y363 VanDerWaalsContact O-N 3.16Å |
| 360 | E | 90.4 | Very high | 91.4 | Very high | 53 Ų | 53 | 54.5 Ų | 54.5 | 25% | 0.248 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.8 | -38.3 | 173.3 | -74.5 | -166.4 | -118.5 | 0 | 0 | 111 | K324 C352 K357 Y363 Y364 | K324-E360 IonicContact NZ-OE2 2.65Å; K324-E360 PolarHBondContact NZ-OE2 3.32Å; C352-E360 HydrophobicContact CB-CB 4.4Å; K357-E360 HydrophobicContact CB-CB 4.4Å; K357-E360 WeakPolarHBondContact CD-OE1 3.41Å; K357-E360 WeakPolarHBondContact CE-OE1 3.16Å; K357-E360 IonicContact NZ-OE1 2.73Å; K357-E360 PolarHBondContact NZ-OE1 3.08Å; K357-E360 PolarHBondContact O-N 3.18Å; K357-E360 VanDerWaalsContact O-N 3.16Å; E360-Y363 PolarHBondContact O-N 3.08Å; E360-Y364 HydrophobicContact CB-CD2 4.28Å; E360-Y364 HydrophobicContact CB-CE2 3.73Å; E360-Y364 HydrophobicContact CG-CE2 4.42Å; E360-Y364 WeakPolarHBondContact O-CD2 3.46Å; E360-Y364 VanDerWaalsContact O-CG 3.24Å; E360-Y364 PolarHBondContact O-N 3.2Å; E360-Y364 WeakPolarHBondContact OE2-CE2 3.43Å; E360-Y364 PolarHBondContact OE2-OH 3.04Å |
| 361 | V | 92.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.8 | -43 | -178.5 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | A349 C352 Q353 K357 Y358 E359 Y365 C393 | A349-V361 HydrophobicContact CB-CG1 4.27Å; A349-V361 WeakPolarHBondContact O-CG2 3.21Å; C352-V361 HydrophobicContact CB-CG2 3.64Å; Q353-V361 HydrophobicContact CB-CG1 4.08Å; Q353-V361 HydrophobicContact CB-CG2 3.84Å; Q353-V361 HydrophobicContact CG-CG1 4.3Å; K357-V361 WeakPolarHBondContact O-CG2 3.5Å; K357-V361 PolarHBondContact O-N 3.43Å; Y358-V361 WeakPolarHBondContact O-CB 3.34Å; Y358-V361 PolarHBondContact O-N 3.48Å; E359-V361 PolarHBondContact O-N 3.07Å; V361-Y365 HydrophobicContact CG1-CD2 3.5Å; V361-Y365 HydrophobicContact CG1-CE2 3.38Å; V361-Y365 WeakPolarHBondContact O-CB 3.24Å; V361-Y365 WeakPolarHBondContact O-CD2 3.18Å; V361-Y365 PolarHBondContact O-N 3.21Å; V361-C393 HydrophobicContact CG1-CB 4.05Å; V361-C393 WeakPolarHBondContact CG1-SG 3.34Å |
| 362 | E | 91.5 | Very high | 91.7 | Very high | 43 Ų | 43 | 50.6 Ų | 50.6 | 20% | 0.201 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.2 | -48.1 | 176.8 | -165.5 | 162.6 | 148.8 | 0 | 0 | 110.1 | Y358 E359 Y365 M366 L390 Y394 Q397 K399 | Y358-E362 PolarHBondContact O-N 3.17Å; E359-E362 PolarHBondContact O-N 3.44Å; E362-Y365 PolarHBondContact O-N 3.46Å; E362-M366 HydrophobicContact CG-SD 4.43Å; E362-M366 WeakPolarHBondContact O-CB 3.24Å; E362-M366 WeakPolarHBondContact O-CG 3.24Å; E362-M366 PolarHBondContact O-N 3.06Å; E362-L390 HydrophobicContact CG-CD1 4.45Å; E362-Y394 HydrophobicContact CG-CE1 4Å; E362-Y394 WeakPolarHBondContact OE2-CE1 3.36Å; E362-Q397 PolarHBondContact OE2-NE2 3.12Å; E362-K399 IonicContact OE1-NZ 2.64Å; E362-K399 PolarHBondContact OE1-NZ 3.04Å; E362-K399 IonicContact OE2-NZ 2.94Å; E362-K399 PolarHBondContact OE2-NZ 3.3Å |
| 363 | Y | 93.5 | Very high | 91.8 | Very high | 141 Ų | 141 | 54 Ų | 54 | 55% | 0.553 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -57.8 | -52.3 | 175 | 173.5 | -104.3 | 0 | 0 | 0 | 113.2 | E359 E360 Y365 M366 R367 | E359-Y363 PolarHBondContact O-N 3.15Å; E359-Y363 VanDerWaalsContact O-N 3.16Å; E360-Y363 PolarHBondContact O-N 3.08Å; Y363-Y365 PolarHBondContact O-N 3.34Å; Y363-M366 PolarHBondContact O-N 3.15Å; Y363-R367 WeakPolarHBondContact O-CB 3.36Å; Y363-R367 PolarHBondContact O-N 2.87Å |
| 364 | Y | 94.9 | Very high | 91.9 | Very high | 24 Ų | 24 | 58.5 Ų | 58.5 | 9% | 0.094 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.5 | -38.4 | -178.1 | -62.7 | -43.5 | 0 | 0 | 0 | 112.5 | K324 L345 L348 E360 A368 | K324-Y364 WeakPolarHBondContact CE-OH 3.42Å; L345-Y364 HydrophobicContact CD2-CD1 3.72Å; L345-Y364 HydrophobicContact CD2-CG 4.34Å; L348-Y364 HydrophobicContact CD2-CD1 4.2Å; L348-Y364 HydrophobicContact CD2-CD2 4.14Å; L348-Y364 HydrophobicContact CD2-CE1 3.8Å; L348-Y364 HydrophobicContact CD2-CE2 3.75Å; L348-Y364 HydrophobicContact CD2-CG 4.39Å; L348-Y364 HydrophobicContact CG-CD2 3.97Å; L348-Y364 HydrophobicContact CG-CE2 3.74Å; E360-Y364 HydrophobicContact CB-CD2 4.28Å; E360-Y364 HydrophobicContact CB-CE2 3.73Å; E360-Y364 HydrophobicContact CG-CE2 4.42Å; E360-Y364 WeakPolarHBondContact O-CD2 3.46Å; E360-Y364 VanDerWaalsContact O-CG 3.24Å; E360-Y364 PolarHBondContact O-N 3.2Å; E360-Y364 WeakPolarHBondContact OE2-CE2 3.43Å; E360-Y364 PolarHBondContact OE2-OH 3.04Å; Y364-A368 WeakPolarHBondContact O-CB 3.47Å; Y364-A368 PolarHBondContact O-N 3.48Å |
| 365 | Y | 94.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 60.7 Ų | 60.7 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.1 | -39.6 | 176.9 | -80.3 | -41.1 | 0 | 0 | 0 | 112.9 | N346 A349 L350 V361 E362 Y363 A368 L369 T386 N389 L390 | N346-Y365 HydrophobicContact CB-CE1 4.45Å; N346-Y365 WeakPolarHBondContact OD1-CD1 3.46Å; N346-Y365 VanDerWaalsContact OD1-CE1 3.22Å; N346-Y365 WeakPolarHBondContact OD1-CE1 3.35Å; A349-Y365 HydrophobicContact CB-CD1 3.69Å; A349-Y365 HydrophobicContact CB-CD2 3.98Å; A349-Y365 HydrophobicContact CB-CE1 3.44Å; A349-Y365 VanDerWaalsContact CB-CE1 3.44Å; A349-Y365 HydrophobicContact CB-CE2 3.77Å; A349-Y365 HydrophobicContact CB-CG 3.92Å; A349-Y365 VanDerWaalsContact CB-CZ 3.44Å; L350-Y365 PolarHBondContact N-OH 3.41Å; V361-Y365 HydrophobicContact CG1-CD2 3.5Å; V361-Y365 HydrophobicContact CG1-CE2 3.38Å; V361-Y365 WeakPolarHBondContact O-CB 3.24Å; V361-Y365 WeakPolarHBondContact O-CD2 3.18Å; V361-Y365 PolarHBondContact O-N 3.21Å; E362-Y365 PolarHBondContact O-N 3.46Å; Y363-Y365 PolarHBondContact O-N 3.34Å; Y365-A368 PolarHBondContact O-N 3.37Å; Y365-L369 VanDerWaalsContact O-CB 3.23Å; Y365-L369 WeakPolarHBondContact O-CB 3.34Å; Y365-L369 PolarHBondContact O-N 2.97Å; Y365-T386 HydrophobicContact CD1-CG2 4.15Å; Y365-N389 HydrophobicContact CD1-CB 4.36Å; Y365-N389 HydrophobicContact CE1-CB 3.7Å; Y365-N389 HydrophobicContact CE2-CB 4.04Å; Y365-L390 HydrophobicContact CD2-CB 4.27Å; Y365-L390 HydrophobicContact CD2-CD1 4.28Å; Y365-L390 HydrophobicContact CG-CB 4.33Å |
| 366 | M | 93.4 | Very high | 92 | Very high | 107 Ų | 107 | 61.6 Ų | 61.6 | 53% | 0.527 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 174.3 | -75.8 | -175 | 68 | 0 | 0 | 111.2 | E362 Y363 A368 L369 E370 L390 | E362-M366 HydrophobicContact CG-SD 4.43Å; E362-M366 WeakPolarHBondContact O-CB 3.24Å; E362-M366 WeakPolarHBondContact O-CG 3.24Å; E362-M366 PolarHBondContact O-N 3.06Å; Y363-M366 PolarHBondContact O-N 3.15Å; M366-A368 PolarHBondContact O-N 3.09Å; M366-L369 WeakPolarHBondContact O-CB 3.41Å; M366-L369 PolarHBondContact O-N 3.43Å; M366-E370 PolarHBondContact O-N 2.91Å; M366-L390 HydrophobicContact CG-CD2 4.37Å |
| 367 | R | 94.5 | Very high | 92 | Very high | 43 Ų | 43 | 60.9 Ų | 60.9 | 16% | 0.162 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 177.3 | -172.5 | 180 | 167.5 | -142.7 | -15.9 | 112.6 | E331 K336 L345 Y363 L369 I371 | E331-R367 IonicContact OE1-CZ 2.66Å; E331-R367 IonicContact OE1-NH1 3.47Å; E331-R367 PolarHBondContact OE1-NH1 3.49Å; E331-R367 IonicContact OE1-NH2 3.41Å; E331-R367 PolarHBondContact OE1-NH2 3.47Å; K336-R367 PolarHBondContact O-NH2 3.44Å; L345-R367 HydrophobicContact CD1-CB 4.15Å; L345-R367 HydrophobicContact CD1-CG 3.8Å; Y363-R367 WeakPolarHBondContact O-CB 3.36Å; Y363-R367 PolarHBondContact O-N 2.87Å; R367-L369 VanDerWaalsContact C-N 3.34Å; R367-I371 HydrophobicContact CG-CD1 4.29Å; R367-I371 WeakPolarHBondContact O-CD1 3.26Å; R367-I371 VanDerWaalsContact O-CG1 3.29Å; R367-I371 WeakPolarHBondContact O-CG1 3.35Å; R367-I371 PolarHBondContact O-N 3.08Å |
| 368 | A | 94.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A342 L345 Y364 Y365 M366 Y372 T386 | A342-A368 HydrophobicContact CB-CB 4.06Å; A342-A368 WeakPolarHBondContact CB-O 3.43Å; L345-A368 HydrophobicContact CB-CB 3.95Å; L345-A368 HydrophobicContact CD1-CB 4.48Å; Y364-A368 WeakPolarHBondContact O-CB 3.47Å; Y364-A368 PolarHBondContact O-N 3.48Å; Y365-A368 PolarHBondContact O-N 3.37Å; M366-A368 PolarHBondContact O-N 3.09Å; A368-Y372 WeakPolarHBondContact O-CD2 3.34Å; A368-Y372 PolarHBondContact O-N 3.29Å; A368-Y372 VanDerWaalsContact O-N 3.09Å; A368-T386 HydrophobicContact CB-CG2 4.18Å |
| 369 | L | 93.6 | Very high | 91.4 | Very high | 24 Ų | 24 | 60.6 Ų | 60.6 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.5 | -44.2 | 179.8 | -179.7 | 149.4 | 0 | 0 | 0 | 112.1 | Y365 M366 R367 Y372 Q373 T386 K387 | Y365-L369 VanDerWaalsContact O-CB 3.23Å; Y365-L369 WeakPolarHBondContact O-CB 3.34Å; Y365-L369 PolarHBondContact O-N 2.97Å; M366-L369 WeakPolarHBondContact O-CB 3.41Å; M366-L369 PolarHBondContact O-N 3.43Å; R367-L369 VanDerWaalsContact C-N 3.34Å; L369-Y372 PolarHBondContact O-N 3.18Å; L369-Q373 HydrophobicContact CD2-CG 4.29Å; L369-Q373 WeakPolarHBondContact O-CB 3.35Å; L369-Q373 WeakPolarHBondContact O-CG 3.38Å; L369-Q373 PolarHBondContact O-N 3.2Å; L369-T386 HydrophobicContact CB-CG2 3.89Å; L369-K387 HydrophobicContact CD1-CD 4.35Å; L369-K387 HydrophobicContact CD1-CG 3.4Å |
| 370 | E | 93.8 | Very high | 91.3 | Very high | 123 Ų | 123 | 53.8 Ų | 53.8 | 58% | 0.575 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -55.3 | -52.5 | 173.9 | 179.3 | 178.3 | -154.3 | 0 | 0 | 111 | M366 Y372 Q373 T374 | M366-E370 PolarHBondContact O-N 2.91Å; E370-Y372 PolarHBondContact O-N 3.03Å; E370-Q373 PolarHBondContact O-N 3.33Å; E370-T374 WeakPolarHBondContact O-CB 3.44Å; E370-T374 PolarHBondContact O-N 3.15Å; E370-T374 PolarHBondContact O-OG1 3.29Å |
| 371 | I | 93.7 | Very high | 91.1 | Very high | 7 Ų | 7 | 54.6 Ų | 54.6 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.2 | -47.4 | 178.1 | -67.8 | 167.7 | 0 | 0 | 0 | 111.7 | K336 D337 V341 A342 L345 R367 T374 K375 | K336-I371 WeakPolarHBondContact O-CD1 3.32Å; D337-I371 WeakPolarHBondContact O-CG2 3.35Å; V341-I371 HydrophobicContact CG1-CD1 4.34Å; A342-I371 HydrophobicContact CB-CB 3.91Å; A342-I371 HydrophobicContact CB-CD1 4.34Å; A342-I371 HydrophobicContact CB-CG2 3.73Å; L345-I371 HydrophobicContact CD1-CD1 4.04Å; R367-I371 HydrophobicContact CG-CD1 4.29Å; R367-I371 WeakPolarHBondContact O-CD1 3.26Å; R367-I371 VanDerWaalsContact O-CG1 3.29Å; R367-I371 WeakPolarHBondContact O-CG1 3.35Å; R367-I371 PolarHBondContact O-N 3.08Å; I371-T374 PolarHBondContact O-N 3.43Å; I371-K375 HydrophobicContact CG2-CG 4.46Å; I371-K375 WeakPolarHBondContact O-CB 3.49Å; I371-K375 WeakPolarHBondContact O-CG 3.4Å; I371-K375 PolarHBondContact O-N 3.33Å |
| 372 | Y | 93.6 | Very high | 90.9 | Very high | 7 Ų | 7 | 56.9 Ų | 56.9 | 3% | 0.027 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 179.8 | -72.6 | -46 | 0 | 0 | 0 | 112.5 | P339 A342 K343 A368 L369 E370 T374 L376 G377 N382 | P339-Y372 HydrophobicContact CB-CD1 4.32Å; P339-Y372 HydrophobicContact CB-CE1 4.07Å; P339-Y372 WeakPolarHBondContact O-CE1 3.46Å; A342-Y372 HydrophobicContact CB-CD1 3.94Å; A342-Y372 HydrophobicContact CB-CD2 3.94Å; A342-Y372 HydrophobicContact CB-CE1 3.65Å; A342-Y372 HydrophobicContact CB-CE2 3.64Å; A342-Y372 HydrophobicContact CB-CG 4.09Å; K343-Y372 WeakPolarHBondContact CA-OH 3.38Å; K343-Y372 WeakPolarHBondContact CB-OH 3.43Å; K343-Y372 PolarHBondContact N-OH 3.1Å; K343-Y372 VanDerWaalsContact N-OH 3.08Å; A368-Y372 WeakPolarHBondContact O-CD2 3.34Å; A368-Y372 PolarHBondContact O-N 3.29Å; A368-Y372 VanDerWaalsContact O-N 3.09Å; L369-Y372 PolarHBondContact O-N 3.18Å; E370-Y372 PolarHBondContact O-N 3.03Å; Y372-T374 PolarHBondContact O-N 2.82Å; Y372-L376 HydrophobicContact CD1-CD1 3.56Å; Y372-L376 HydrophobicContact CD1-CG 4.4Å; Y372-L376 HydrophobicContact CE1-CD1 4.06Å; Y372-L376 WeakPolarHBondContact O-CA 3.45Å; Y372-L376 WeakPolarHBondContact O-CB 3.49Å; Y372-L376 PolarHBondContact O-N 3.2Å; Y372-G377 PolarHBondContact O-N 3.28Å; Y372-N382 HydrophobicContact CD1-CB 4.2Å; Y372-N382 HydrophobicContact CD2-CB 4.01Å; Y372-N382 HydrophobicContact CE1-CB 3.98Å; Y372-N382 HydrophobicContact CE2-CB 3.78Å; Y372-N382 HydrophobicContact CG-CB 4.21Å |
| 373 | Q | 91.5 | Very high | 90.9 | Very high | 72 Ų | 72 | 55 Ų | 55 | 34% | 0.336 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 177.2 | -75 | -178 | -34.5 | 0 | 0 | 112 | L369 E370 G377 V383 | L369-Q373 HydrophobicContact CD2-CG 4.29Å; L369-Q373 WeakPolarHBondContact O-CB 3.35Å; L369-Q373 WeakPolarHBondContact O-CG 3.38Å; L369-Q373 PolarHBondContact O-N 3.2Å; E370-Q373 PolarHBondContact O-N 3.33Å; Q373-G377 VanDerWaalsContact O-CA 3.29Å; Q373-G377 WeakPolarHBondContact O-CA 3.3Å; Q373-G377 PolarHBondContact O-N 3.07Å; Q373-V383 HydrophobicContact CG-CG1 3.95Å; Q373-V383 HydrophobicContact CG-CG2 4.03Å |
| 374 | T | 91.1 | Very high | 90.7 | Very high | 104 Ų | 104 | 49.4 Ų | 49.4 | 64% | 0.638 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -74.7 | -31.7 | -178.3 | -54.2 | 0 | 0 | 0 | 0 | 113.5 | E370 I371 Y372 | E370-T374 WeakPolarHBondContact O-CB 3.44Å; E370-T374 PolarHBondContact O-N 3.15Å; E370-T374 PolarHBondContact O-OG1 3.29Å; I371-T374 PolarHBondContact O-N 3.43Å; Y372-T374 PolarHBondContact O-N 2.82Å |
| 375 | K | 91.3 | Very high | 90.5 | Very high | 111 Ų | 111 | 52.9 Ų | 52.9 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -102.3 | -34.3 | -174.7 | -59.1 | -57 | -175.8 | -175.4 | 0 | 115.5 | D337 P339 I371 | D337-K375 WeakPolarHBondContact O-CE 3.49Å; D337-K375 VanDerWaalsContact O-CG 3.26Å; D337-K375 WeakPolarHBondContact O-CG 3.39Å; P339-K375 HydrophobicContact CG-CB 4.06Å; I371-K375 HydrophobicContact CG2-CG 4.46Å; I371-K375 WeakPolarHBondContact O-CB 3.49Å; I371-K375 WeakPolarHBondContact O-CG 3.4Å; I371-K375 PolarHBondContact O-N 3.33Å |
| 376 | L | 87 | Confident | 90.4 | Very high | 76 Ų | 76 | 52.9 Ų | 52.9 | 40% | 0.398 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -107.4 | -15 | -178.5 | -56.8 | 178.3 | 0 | 0 | 0 | 112.5 | P339 Y372 D380 | P339-L376 HydrophobicContact CB-CD1 4.27Å; P339-L376 HydrophobicContact CB-CG 4.48Å; P339-L376 HydrophobicContact CG-CD2 4.04Å; P339-L376 HydrophobicContact CG-CG 4.19Å; Y372-L376 HydrophobicContact CD1-CD1 3.56Å; Y372-L376 HydrophobicContact CD1-CG 4.4Å; Y372-L376 HydrophobicContact CE1-CD1 4.06Å; Y372-L376 WeakPolarHBondContact O-CA 3.45Å; Y372-L376 WeakPolarHBondContact O-CB 3.49Å; Y372-L376 PolarHBondContact O-N 3.2Å; L376-D380 HydrophobicContact CB-CB 3.64Å; L376-D380 HydrophobicContact CD1-CB 4.31Å; L376-D380 VanDerWaalsContact CD1-CG 3.48Å; L376-D380 WeakPolarHBondContact CD1-OD1 3.3Å |
| 377 | G | 87.5 | Confident | 90.4 | Very high | 21 Ų | 21 | 48.9 Ų | 48.9 | 22% | 0.216 | 26% | 0.26 | C | S | . | . | trans | 88.6 | 167.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y372 Q373 D379 D380 | Y372-G377 PolarHBondContact O-N 3.28Å; Q373-G377 VanDerWaalsContact O-CA 3.29Å; Q373-G377 WeakPolarHBondContact O-CA 3.3Å; Q373-G377 PolarHBondContact O-N 3.07Å; G377-D379 VanDerWaalsContact C-N 3.29Å; G377-D379 PolarHBondContact O-N 3.39Å; G377-D380 PolarHBondContact O-N 2.92Å | ||
| 378 | P | 84.5 | Confident | 90.3 | Very high | 71 Ų | 71 | 47.4 Ų | 47.4 | 46% | 0.461 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -16.8 | -174.1 | 29 | -35.9 | 0 | 0 | 0 | 114.6 | ||
| 379 | D | 83.8 | Confident | 90.2 | Very high | 68 Ų | 68 | 50.5 Ų | 50.5 | 36% | 0.364 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -19 | 177 | -88.5 | -58.8 | 0 | 0 | 0 | 114.2 | G377 R413 R417 | G377-D379 VanDerWaalsContact C-N 3.29Å; G377-D379 PolarHBondContact O-N 3.39Å; D379-R413 VanDerWaalsContact CG-NH1 3.33Å; D379-R413 IonicContact OD1-CZ 3.05Å; D379-R413 IonicContact OD1-NH1 3.45Å; D379-R413 PolarHBondContact OD1-NH1 3.39Å; D379-R413 IonicContact OD1-NH2 3.38Å; D379-R413 PolarHBondContact OD1-NH2 2.93Å; D379-R413 IonicContact OD2-CZ 3.97Å; D379-R413 IonicContact OD2-NH1 3.92Å; D379-R413 PolarHBondContact OD2-NH1 3.46Å; D379-R413 IonicContact OD2-NH2 2.72Å; D379-R413 PolarHBondContact OD2-NH2 3.2Å; D379-R417 VanDerWaalsContact OD1-CD 3.24Å; D379-R417 WeakPolarHBondContact OD1-CD 3.43Å; D379-R417 WeakPolarHBondContact OD1-CG 3.46Å |
| 380 | D | 86.3 | Confident | 90.2 | Very high | 34 Ų | 34 | 49.6 Ų | 49.6 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | trans | -63.7 | 134.4 | -166.4 | 177.7 | -93.1 | 0 | 0 | 0 | 112.2 | L376 G377 N382 V383 A384 | L376-D380 HydrophobicContact CB-CB 3.64Å; L376-D380 HydrophobicContact CD1-CB 4.31Å; L376-D380 VanDerWaalsContact CD1-CG 3.48Å; L376-D380 WeakPolarHBondContact CD1-OD1 3.3Å; G377-D380 PolarHBondContact O-N 2.92Å; D380-N382 PolarHBondContact O-N 3.24Å; D380-N382 WeakPolarHBondContact OD1-CA 3.46Å; D380-N382 WeakPolarHBondContact OD1-CB 3.17Å; D380-N382 VanDerWaalsContact OD1-CG 3.29Å; D380-N382 PolarHBondContact OD1-N 3.11Å; D380-N382 PolarHBondContact OD1-ND2 3.24Å; D380-V383 HydrophobicContact CB-CG2 4.29Å; D380-V383 WeakPolarHBondContact O-CB 3.28Å; D380-V383 PolarHBondContact O-N 3.49Å; D380-A384 PolarHBondContact O-N 3.16Å | ||
| 381 | P | 86.8 | Confident | 90.2 | Very high | 70 Ų | 70 | 43.8 Ų | 43.8 | 46% | 0.455 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -55.8 | -23.8 | -179.6 | -28.9 | 36.1 | 0 | 0 | 0 | 114.9 | K385 | P381-K385 WeakPolarHBondContact O-CD 3.4Å; P381-K385 WeakPolarHBondContact O-CG 3.33Å; P381-K385 PolarHBondContact O-N 3.37Å |
| 382 | N | 88.3 | Confident | 90 | Very high | 47 Ų | 47 | 45.4 Ų | 45.4 | 25% | 0.251 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -77.6 | -27.3 | 176.7 | -48.8 | -68.2 | 0 | 0 | 0 | 112.3 | Y372 D380 T386 | Y372-N382 HydrophobicContact CD1-CB 4.2Å; Y372-N382 HydrophobicContact CD2-CB 4.01Å; Y372-N382 HydrophobicContact CE1-CB 3.98Å; Y372-N382 HydrophobicContact CE2-CB 3.78Å; Y372-N382 HydrophobicContact CG-CB 4.21Å; D380-N382 PolarHBondContact O-N 3.24Å; D380-N382 WeakPolarHBondContact OD1-CA 3.46Å; D380-N382 WeakPolarHBondContact OD1-CB 3.17Å; D380-N382 VanDerWaalsContact OD1-CG 3.29Å; D380-N382 PolarHBondContact OD1-N 3.11Å; D380-N382 PolarHBondContact OD1-ND2 3.24Å; N382-T386 VanDerWaalsContact O-CB 3.25Å; N382-T386 WeakPolarHBondContact O-CB 3.38Å; N382-T386 PolarHBondContact O-N 2.96Å; N382-T386 PolarHBondContact O-OG1 2.99Å |
| 383 | V | 90.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.024 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.9 | -50.9 | 168.6 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | Q373 D380 K385 T386 K387 | Q373-V383 HydrophobicContact CG-CG1 3.95Å; Q373-V383 HydrophobicContact CG-CG2 4.03Å; D380-V383 HydrophobicContact CB-CG2 4.29Å; D380-V383 WeakPolarHBondContact O-CB 3.28Å; D380-V383 PolarHBondContact O-N 3.49Å; V383-K385 PolarHBondContact O-N 3.32Å; V383-T386 PolarHBondContact O-N 3.22Å; V383-K387 HydrophobicContact CG1-CD 4.48Å; V383-K387 PolarHBondContact O-N 2.88Å |
| 384 | A | 89.9 | Confident | 90 | Very high | 24 Ų | 24 | 42.6 Ų | 42.6 | 20% | 0.198 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -41.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D380 N388 I410 T466 | D380-A384 PolarHBondContact O-N 3.16Å; A384-N388 WeakPolarHBondContact O-CB 3.39Å; A384-N388 PolarHBondContact O-N 3.08Å; A384-I410 HydrophobicContact CB-CG2 4.32Å; A384-T466 HydrophobicContact CB-CG2 3.87Å |
| 385 | K | 90.4 | Very high | 90 | Very high | 97 Ų | 97 | 39.9 Ų | 39.9 | 42% | 0.422 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 174.1 | -72.6 | 166.6 | -171.3 | 169.8 | 0 | 112.1 | P381 V383 N388 N389 T466 | P381-K385 WeakPolarHBondContact O-CD 3.4Å; P381-K385 WeakPolarHBondContact O-CG 3.33Å; P381-K385 PolarHBondContact O-N 3.37Å; V383-K385 PolarHBondContact O-N 3.32Å; K385-N388 PolarHBondContact O-N 2.89Å; K385-N389 VanDerWaalsContact O-CG 3.24Å; K385-N389 PolarHBondContact O-N 3.19Å; K385-N389 PolarHBondContact O-ND2 3.09Å; K385-T466 HydrophobicContact CG-CG2 4.01Å |
| 386 | T | 91.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.4 | -43.8 | -179.9 | -55.2 | 0 | 0 | 0 | 0 | 111 | N346 Y365 A368 L369 N382 V383 N388 N389 L390 | N346-T386 PolarHBondContact ND2-OG1 3.18Å; N346-T386 WeakPolarHBondContact OD1-CG2 3.42Å; Y365-T386 HydrophobicContact CD1-CG2 4.15Å; A368-T386 HydrophobicContact CB-CG2 4.18Å; L369-T386 HydrophobicContact CB-CG2 3.89Å; N382-T386 VanDerWaalsContact O-CB 3.25Å; N382-T386 WeakPolarHBondContact O-CB 3.38Å; N382-T386 PolarHBondContact O-N 2.96Å; N382-T386 PolarHBondContact O-OG1 2.99Å; V383-T386 PolarHBondContact O-N 3.22Å; T386-N388 PolarHBondContact O-N 2.73Å; T386-N389 PolarHBondContact O-N 2.94Å; T386-L390 WeakPolarHBondContact O-CB 3.27Å; T386-L390 PolarHBondContact O-N 3.09Å |
| 387 | K | 93.9 | Very high | 89.9 | Confident | 23 Ų | 23 | 38.2 Ų | 38.2 | 10% | 0.1 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.4 | -43.5 | 171.8 | -73.4 | -171 | 179.8 | -166.2 | 0 | 112.3 | L369 V383 N389 L390 A391 L406 E409 I410 | L369-K387 HydrophobicContact CD1-CD 4.35Å; L369-K387 HydrophobicContact CD1-CG 3.4Å; V383-K387 HydrophobicContact CG1-CD 4.48Å; V383-K387 PolarHBondContact O-N 2.88Å; K387-N389 PolarHBondContact O-N 3.34Å; K387-L390 PolarHBondContact O-N 2.97Å; K387-A391 VanDerWaalsContact O-CB 3.31Å; K387-A391 WeakPolarHBondContact O-CB 3.28Å; K387-A391 PolarHBondContact O-N 2.93Å; K387-L406 HydrophobicContact CD-CD2 4.42Å; K387-L406 HydrophobicContact CG-CD2 4.3Å; K387-E409 WeakPolarHBondContact CE-OE2 3.4Å; K387-E409 IonicContact NZ-OE2 3.36Å; K387-E409 PolarHBondContact NZ-OE2 3.44Å; K387-I410 HydrophobicContact CB-CD1 3.62Å; K387-I410 HydrophobicContact CB-CG1 3.76Å; K387-I410 HydrophobicContact CD-CG1 4.03Å |
| 388 | N | 92.8 | Very high | 90 | Very high | 12 Ų | 12 | 39 Ų | 39 | 6% | 0.064 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.4 | -40.4 | 176.2 | -98 | -13.8 | 0 | 0 | 0 | 112.7 | A384 K385 T386 S392 Y407 I410 T466 T470 | A384-N388 WeakPolarHBondContact O-CB 3.39Å; A384-N388 PolarHBondContact O-N 3.08Å; K385-N388 PolarHBondContact O-N 2.89Å; T386-N388 PolarHBondContact O-N 2.73Å; N388-S392 WeakPolarHBondContact O-CB 3.47Å; N388-S392 PolarHBondContact O-N 2.64Å; N388-Y407 WeakPolarHBondContact OD1-CD1 3.49Å; N388-Y407 VanDerWaalsContact OD1-CE1 3.22Å; N388-Y407 WeakPolarHBondContact OD1-CE1 3.46Å; N388-I410 HydrophobicContact CB-CD1 4.3Å; N388-I410 WeakPolarHBondContact OD1-CD1 3.21Å; N388-T466 VanDerWaalsContact ND2-CG2 3.26Å; N388-T466 WeakPolarHBondContact ND2-CG2 3.29Å; N388-T466 PolarHBondContact ND2-O 2.82Å; N388-T470 VanDerWaalsContact CG-OG1 3.26Å; N388-T470 PolarHBondContact ND2-OG1 3.08Å; N388-T470 PolarHBondContact OD1-OG1 3.19Å |
| 389 | N | 92.4 | Very high | 90.4 | Very high | 65 Ų | 65 | 39 Ų | 39 | 35% | 0.348 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68.6 | -41.3 | 177.4 | -68.1 | -20.9 | 0 | 0 | 0 | 112 | Y365 K385 T386 K387 S392 C393 | Y365-N389 HydrophobicContact CD1-CB 4.36Å; Y365-N389 HydrophobicContact CE1-CB 3.7Å; Y365-N389 HydrophobicContact CE2-CB 4.04Å; K385-N389 VanDerWaalsContact O-CG 3.24Å; K385-N389 PolarHBondContact O-N 3.19Å; K385-N389 PolarHBondContact O-ND2 3.09Å; T386-N389 PolarHBondContact O-N 2.94Å; K387-N389 PolarHBondContact O-N 3.34Å; N389-S392 WeakPolarHBondContact O-CB 3.46Å; N389-S392 PolarHBondContact O-N 3.33Å; N389-C393 PolarHBondContact O-N 3.03Å |
| 390 | L | 93.3 | Very high | 90.8 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.7 | -44.3 | 173.8 | -179.7 | 57.5 | 0 | 0 | 0 | 111.6 | E362 Y365 M366 T386 K387 S392 C393 Y394 L406 | E362-L390 HydrophobicContact CG-CD1 4.45Å; Y365-L390 HydrophobicContact CD2-CB 4.27Å; Y365-L390 HydrophobicContact CD2-CD1 4.28Å; Y365-L390 HydrophobicContact CG-CB 4.33Å; M366-L390 HydrophobicContact CG-CD2 4.37Å; T386-L390 WeakPolarHBondContact O-CB 3.27Å; T386-L390 PolarHBondContact O-N 3.09Å; K387-L390 PolarHBondContact O-N 2.97Å; L390-S392 VanDerWaalsContact C-N 3.3Å; L390-S392 PolarHBondContact O-N 3.17Å; L390-C393 WeakPolarHBondContact O-CA 3.29Å; L390-C393 WeakPolarHBondContact O-CB 3.29Å; L390-C393 PolarHBondContact O-N 3.04Å; L390-Y394 HydrophobicContact CD1-CE1 3.99Å; L390-Y394 HydrophobicContact CD1-CE2 4.19Å; L390-Y394 HydrophobicContact CD2-CE2 4.35Å; L390-Y394 HydrophobicContact CG-CD2 4.45Å; L390-Y394 HydrophobicContact CG-CE2 3.91Å; L390-Y394 PolarHBondContact O-N 3.36Å; L390-L406 HydrophobicContact CB-CD1 4.03Å; L390-L406 HydrophobicContact CD2-CD1 3.84Å; L390-L406 HydrophobicContact CG-CD1 3.69Å |
| 391 | A | 93.1 | Very high | 91 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.6 | -39.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K387 C393 Y394 L395 A403 L406 Y407 | K387-A391 VanDerWaalsContact O-CB 3.31Å; K387-A391 WeakPolarHBondContact O-CB 3.28Å; K387-A391 PolarHBondContact O-N 2.93Å; A391-C393 VanDerWaalsContact C-N 3.29Å; A391-C393 PolarHBondContact O-N 3.14Å; A391-Y394 PolarHBondContact O-N 3.24Å; A391-L395 WeakPolarHBondContact O-CG 3.5Å; A391-L395 PolarHBondContact O-N 3.35Å; A391-A403 HydrophobicContact CB-CB 4.25Å; A391-L406 HydrophobicContact CB-CB 3.98Å; A391-L406 HydrophobicContact CB-CD1 4.03Å; A391-Y407 HydrophobicContact CB-CD1 3.87Å; A391-Y407 HydrophobicContact CB-CE1 3.31Å; A391-Y407 HydrophobicContact CB-CE2 4.14Å; A391-Y407 HydrophobicContact CB-CG 4.5Å; A391-Y407 VanDerWaalsContact CB-CZ 3.46Å |
| 392 | S | 90.7 | Very high | 91.3 | Very high | 42 Ų | 42 | 46.3 Ų | 46.3 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.7 | -35 | 171.3 | -173 | 0 | 0 | 0 | 0 | 112.7 | N388 N389 L390 L395 K396 | N388-S392 WeakPolarHBondContact O-CB 3.47Å; N388-S392 PolarHBondContact O-N 2.64Å; N389-S392 WeakPolarHBondContact O-CB 3.46Å; N389-S392 PolarHBondContact O-N 3.33Å; L390-S392 VanDerWaalsContact C-N 3.3Å; L390-S392 PolarHBondContact O-N 3.17Å; S392-L395 PolarHBondContact O-N 2.86Å; S392-K396 PolarHBondContact O-N 2.86Å; S392-K396 VanDerWaalsContact O-N 3.16Å |
| 393 | C | 91.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.9 | -48.9 | 170.9 | -166.1 | 0 | 0 | 0 | 0 | 111.4 | Q353 V361 N389 L390 A391 L395 K396 Q397 | Q353-C393 VanDerWaalsContact NE2-CA 3.32Å; V361-C393 HydrophobicContact CG1-CB 4.05Å; V361-C393 WeakPolarHBondContact CG1-SG 3.34Å; N389-C393 PolarHBondContact O-N 3.03Å; L390-C393 WeakPolarHBondContact O-CA 3.29Å; L390-C393 WeakPolarHBondContact O-CB 3.29Å; L390-C393 PolarHBondContact O-N 3.04Å; A391-C393 VanDerWaalsContact C-N 3.29Å; A391-C393 PolarHBondContact O-N 3.14Å; C393-L395 VanDerWaalsContact C-N 3.32Å; C393-L395 PolarHBondContact O-N 2.83Å; C393-K396 PolarHBondContact O-N 3.39Å; C393-K396 VanDerWaalsContact O-N 3.1Å; C393-Q397 WeakPolarHBondContact O-CG 3.49Å; C393-Q397 PolarHBondContact O-N 3.47Å; C393-Q397 PolarHBondContact SG-NE2 3.48Å |
| 394 | Y | 92.9 | Very high | 91.6 | Very high | 19 Ų | 19 | 45 Ų | 45 | 8% | 0.075 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.9 | -36.8 | 176.2 | -66.3 | -25 | 0 | 0 | 0 | 113.3 | E362 L390 A391 K396 Q397 G398 K399 Q402 L406 | E362-Y394 HydrophobicContact CG-CE1 4Å; E362-Y394 WeakPolarHBondContact OE2-CE1 3.36Å; L390-Y394 HydrophobicContact CD1-CE1 3.99Å; L390-Y394 HydrophobicContact CD1-CE2 4.19Å; L390-Y394 HydrophobicContact CD2-CE2 4.35Å; L390-Y394 HydrophobicContact CG-CD2 4.45Å; L390-Y394 HydrophobicContact CG-CE2 3.91Å; L390-Y394 PolarHBondContact O-N 3.36Å; A391-Y394 PolarHBondContact O-N 3.24Å; Y394-K396 PolarHBondContact O-N 3.03Å; Y394-Q397 CarbonylContact O-C 3.58Å; Y394-Q397 PolarHBondContact O-N 3.46Å; Y394-G398 PolarHBondContact O-N 3.41Å; Y394-K399 HydrophobicContact CD1-CB 4.38Å; Y394-K399 HydrophobicContact CD1-CD 4.01Å; Y394-K399 HydrophobicContact CE1-CD 4.36Å; Y394-K399 HydrophobicContact CG-CB 4.37Å; Y394-K399 PolarHBondContact O-N 2.95Å; Y394-Q402 HydrophobicContact CD2-CB 3.48Å; Y394-Q402 VanDerWaalsContact CD2-CB 3.48Å; Y394-Q402 HydrophobicContact CE2-CB 3.71Å; Y394-Q402 HydrophobicContact CG-CB 4.05Å; Y394-L406 HydrophobicContact CD2-CD1 3.77Å; Y394-L406 HydrophobicContact CE2-CD1 3.59Å; Y394-L406 HydrophobicContact CE2-CG 4.48Å |
| 395 | L | 90.4 | Very high | 91.8 | Very high | 48 Ų | 48 | 47.5 Ų | 47.5 | 25% | 0.251 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.2 | -43.2 | 171.9 | -70.4 | -177.2 | 0 | 0 | 0 | 112.3 | A391 S392 C393 Q397 G398 F400 A403 Y407 L477 | A391-L395 WeakPolarHBondContact O-CG 3.5Å; A391-L395 PolarHBondContact O-N 3.35Å; S392-L395 PolarHBondContact O-N 2.86Å; C393-L395 VanDerWaalsContact C-N 3.32Å; C393-L395 PolarHBondContact O-N 2.83Å; L395-Q397 VanDerWaalsContact C-N 3.34Å; L395-G398 PolarHBondContact O-N 2.88Å; L395-F400 HydrophobicContact CD2-CD1 3.87Å; L395-F400 HydrophobicContact CD2-CE1 4.34Å; L395-A403 HydrophobicContact CD2-CB 3.72Å; L395-A403 HydrophobicContact CG-CB 3.94Å; L395-Y407 HydrophobicContact CD1-CE2 4.24Å; L395-Y407 WeakPolarHBondContact CD1-OH 3.46Å; L395-L477 HydrophobicContact CD2-CD1 4.11Å; L395-L477 HydrophobicContact CD2-CD2 3.55Å; L395-L477 HydrophobicContact CD2-CG 3.96Å |
| 396 | K | 88.5 | Confident | 92 | Very high | 98 Ų | 98 | 43.7 Ų | 43.7 | 43% | 0.426 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -67.7 | -32.5 | 176.5 | -70.6 | 179.7 | -178.1 | 178.2 | 0 | 112.6 | Q353 Y358 S392 C393 Y394 G398 | Q353-K396 VanDerWaalsContact CD-NZ 3.32Å; Q353-K396 HydrophobicContact CG-CD 4.08Å; Y358-K396 HydrophobicContact CE1-CB 3.83Å; Y358-K396 HydrophobicContact CE1-CD 4.38Å; S392-K396 PolarHBondContact O-N 2.86Å; S392-K396 VanDerWaalsContact O-N 3.16Å; C393-K396 PolarHBondContact O-N 3.39Å; C393-K396 VanDerWaalsContact O-N 3.1Å; Y394-K396 PolarHBondContact O-N 3.03Å; K396-G398 VanDerWaalsContact C-N 3.31Å |
| 397 | Q | 89 | Confident | 92 | Very high | 54 Ų | 54 | 43.7 Ų | 43.7 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -8.4 | 174.6 | -65.1 | -178.5 | 49.9 | 0 | 0 | 113.9 | Y358 E362 C393 Y394 L395 K399 | Y358-Q397 HydrophobicContact CD1-CG 3.75Å; Y358-Q397 HydrophobicContact CD2-CG 4.24Å; Y358-Q397 HydrophobicContact CE1-CG 4.4Å; Y358-Q397 HydrophobicContact CG-CG 3.66Å; E362-Q397 PolarHBondContact OE2-NE2 3.12Å; C393-Q397 WeakPolarHBondContact O-CG 3.49Å; C393-Q397 PolarHBondContact O-N 3.47Å; C393-Q397 PolarHBondContact SG-NE2 3.48Å; Y394-Q397 CarbonylContact O-C 3.58Å; Y394-Q397 PolarHBondContact O-N 3.46Å; L395-Q397 VanDerWaalsContact C-N 3.34Å; Q397-K399 VanDerWaalsContact C-N 3.25Å; Q397-K399 HydrophobicContact CB-CD 4.48Å; Q397-K399 HydrophobicContact CB-CG 4.02Å; Q397-K399 PolarHBondContact O-N 3.35Å |
| 398 | G | 88.9 | Confident | 92 | Very high | 36 Ų | 36 | 44.1 Ų | 44.1 | 37% | 0.371 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | 7.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y394 L395 K396 F400 | Y394-G398 PolarHBondContact O-N 3.41Å; L395-G398 PolarHBondContact O-N 2.88Å; K396-G398 VanDerWaalsContact C-N 3.31Å; G398-F400 WeakPolarHBondContact O-CD2 3.16Å; G398-F400 WeakPolarHBondContact O-CE2 3.42Å; G398-F400 PolarHBondContact O-N 3.3Å |
| 399 | K | 92.8 | Very high | 91.9 | Very high | 72 Ų | 72 | 47 Ų | 47 | 31% | 0.313 | 24% | 0.236 | S | C | . | . | trans | -76.9 | 54.7 | 176.3 | -60.9 | -172.1 | -174 | 163.5 | 0 | 111.2 | E362 Y394 Q397 K401 Q402 A403 | E362-K399 IonicContact OE1-NZ 2.64Å; E362-K399 PolarHBondContact OE1-NZ 3.04Å; E362-K399 IonicContact OE2-NZ 2.94Å; E362-K399 PolarHBondContact OE2-NZ 3.3Å; Y394-K399 HydrophobicContact CD1-CB 4.38Å; Y394-K399 HydrophobicContact CD1-CD 4.01Å; Y394-K399 HydrophobicContact CE1-CD 4.36Å; Y394-K399 HydrophobicContact CG-CB 4.37Å; Y394-K399 PolarHBondContact O-N 2.95Å; Q397-K399 VanDerWaalsContact C-N 3.25Å; Q397-K399 HydrophobicContact CB-CD 4.48Å; Q397-K399 HydrophobicContact CB-CG 4.02Å; Q397-K399 PolarHBondContact O-N 3.35Å; K399-K401 VanDerWaalsContact C-N 3.33Å; K399-K401 PolarHBondContact O-N 3.39Å; K399-Q402 PolarHBondContact O-N 2.8Å; K399-Q402 VanDerWaalsContact O-N 3.1Å; K399-A403 PolarHBondContact O-N 2.91Å | ||
| 400 | F | 92.3 | Very high | 91.8 | Very high | 67 Ų | 67 | 44.4 Ų | 44.4 | 29% | 0.294 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.3 | -38.6 | -168.4 | -58.8 | -62.7 | 0 | 0 | 0 | 114.5 | L395 G398 Q402 A403 E404 L477 R480 | L395-F400 HydrophobicContact CD2-CD1 3.87Å; L395-F400 HydrophobicContact CD2-CE1 4.34Å; G398-F400 WeakPolarHBondContact O-CD2 3.16Å; G398-F400 WeakPolarHBondContact O-CE2 3.42Å; G398-F400 PolarHBondContact O-N 3.3Å; F400-Q402 VanDerWaalsContact C-N 3.35Å; F400-Q402 PolarHBondContact O-N 2.87Å; F400-A403 PolarHBondContact O-N 3.18Å; F400-E404 PolarHBondContact O-N 3.42Å; F400-L477 HydrophobicContact CB-CD2 4.02Å; F400-L477 HydrophobicContact CD1-CD2 3.76Å; F400-L477 HydrophobicContact CG-CD2 4.26Å; F400-R480 VanDerWaalsContact CZ-NH2 3.26Å |
| 401 | K | 91.8 | Very high | 91.5 | Very high | 174 Ų | 174 | 44.4 Ų | 44.4 | 76% | 0.757 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -61.2 | -40.7 | 178.6 | -66 | -174.1 | 177.4 | -175.1 | 0 | 112.5 | K399 E404 T405 | K399-K401 VanDerWaalsContact C-N 3.33Å; K399-K401 PolarHBondContact O-N 3.39Å; K401-E404 WeakPolarHBondContact O-CB 3.41Å; K401-E404 PolarHBondContact O-N 3.37Å; K401-T405 PolarHBondContact O-N 3.36Å; K401-T405 PolarHBondContact O-OG1 3.31Å; K401-T405 VanDerWaalsContact O-OG1 3.08Å |
| 402 | Q | 91.6 | Very high | 91.3 | Very high | 84 Ų | 84 | 45.6 Ų | 45.6 | 39% | 0.393 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -71 | -36 | 178.7 | -65.5 | -179.6 | -23.8 | 0 | 0 | 111.8 | Y394 K399 F400 L406 | Y394-Q402 HydrophobicContact CD2-CB 3.48Å; Y394-Q402 VanDerWaalsContact CD2-CB 3.48Å; Y394-Q402 HydrophobicContact CE2-CB 3.71Å; Y394-Q402 HydrophobicContact CG-CB 4.05Å; K399-Q402 PolarHBondContact O-N 2.8Å; K399-Q402 VanDerWaalsContact O-N 3.1Å; F400-Q402 VanDerWaalsContact C-N 3.35Å; F400-Q402 PolarHBondContact O-N 2.87Å; Q402-L406 WeakPolarHBondContact O-CG 3.47Å; Q402-L406 PolarHBondContact O-N 3.36Å; Q402-L406 VanDerWaalsContact O-N 3.15Å |
| 403 | A | 92.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.4 | -41.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A391 L395 K399 F400 L406 Y407 L477 | A391-A403 HydrophobicContact CB-CB 4.25Å; L395-A403 HydrophobicContact CD2-CB 3.72Å; L395-A403 HydrophobicContact CG-CB 3.94Å; K399-A403 PolarHBondContact O-N 2.91Å; F400-A403 PolarHBondContact O-N 3.18Å; A403-L406 PolarHBondContact O-N 2.83Å; A403-Y407 HydrophobicContact CB-CE2 4.34Å; A403-Y407 WeakPolarHBondContact O-CD2 3.19Å; A403-Y407 PolarHBondContact O-N 2.88Å; A403-L477 HydrophobicContact CB-CD1 4.22Å |
| 404 | E | 93.1 | Very high | 90.8 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 12% | 0.117 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 175.5 | -169.3 | -171.9 | 148.2 | 0 | 0 | 111.7 | F400 K401 L406 Y407 K408 L474 L477 Y478 Q481 | F400-E404 PolarHBondContact O-N 3.42Å; K401-E404 WeakPolarHBondContact O-CB 3.41Å; K401-E404 PolarHBondContact O-N 3.37Å; E404-L406 PolarHBondContact O-N 2.76Å; E404-Y407 PolarHBondContact O-N 3.5Å; E404-K408 HydrophobicContact CG-CD 4.23Å; E404-K408 WeakPolarHBondContact O-CG 3.3Å; E404-K408 PolarHBondContact O-N 3.41Å; E404-K408 VanDerWaalsContact OE1-CE 3.29Å; E404-K408 WeakPolarHBondContact OE1-CE 3.41Å; E404-K408 IonicContact OE1-NZ 2.72Å; E404-K408 PolarHBondContact OE1-NZ 3.26Å; E404-L474 HydrophobicContact CG-CD1 3.78Å; E404-L477 HydrophobicContact CB-CD1 4.1Å; E404-Y478 HydrophobicContact CG-CE1 4.32Å; E404-Q481 PolarHBondContact OE2-NE2 3.11Å |
| 405 | T | 94.4 | Very high | 90.3 | Very high | 76 Ų | 76 | 46.9 Ų | 46.9 | 47% | 0.466 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -56.5 | -48 | 177.1 | -53.1 | 0 | 0 | 0 | 0 | 111.7 | K401 Y407 K408 E409 | K401-T405 PolarHBondContact O-N 3.36Å; K401-T405 PolarHBondContact O-OG1 3.31Å; K401-T405 VanDerWaalsContact O-OG1 3.08Å; T405-Y407 VanDerWaalsContact C-N 3.34Å; T405-Y407 PolarHBondContact O-N 2.95Å; T405-K408 PolarHBondContact O-N 3.13Å; T405-E409 WeakPolarHBondContact O-CG 3.47Å; T405-E409 PolarHBondContact O-N 3.42Å |
| 406 | L | 93.7 | Very high | 90 | Very high | 17 Ų | 17 | 47.9 Ų | 47.9 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.4 | -37.6 | 178.2 | -73.7 | 178.9 | 0 | 0 | 0 | 113.1 | K387 L390 A391 Y394 Q402 A403 E404 I410 | K387-L406 HydrophobicContact CD-CD2 4.42Å; K387-L406 HydrophobicContact CG-CD2 4.3Å; L390-L406 HydrophobicContact CB-CD1 4.03Å; L390-L406 HydrophobicContact CD2-CD1 3.84Å; L390-L406 HydrophobicContact CG-CD1 3.69Å; A391-L406 HydrophobicContact CB-CB 3.98Å; A391-L406 HydrophobicContact CB-CD1 4.03Å; Y394-L406 HydrophobicContact CD2-CD1 3.77Å; Y394-L406 HydrophobicContact CE2-CD1 3.59Å; Y394-L406 HydrophobicContact CE2-CG 4.48Å; Q402-L406 WeakPolarHBondContact O-CG 3.47Å; Q402-L406 PolarHBondContact O-N 3.36Å; Q402-L406 VanDerWaalsContact O-N 3.15Å; A403-L406 PolarHBondContact O-N 2.83Å; E404-L406 PolarHBondContact O-N 2.76Å; L406-I410 VanDerWaalsContact O-CG1 3.3Å; L406-I410 WeakPolarHBondContact O-CG1 3.44Å; L406-I410 PolarHBondContact O-N 3.16Å; L406-I410 VanDerWaalsContact O-N 3.13Å |
| 407 | Y | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.7 | -40.8 | 175 | -65.6 | -36.8 | 0 | 0 | 0 | 112 | N388 A391 L395 A403 E404 T405 E409 I410 L411 T470 N473 L474 L477 | N388-Y407 WeakPolarHBondContact OD1-CD1 3.49Å; N388-Y407 VanDerWaalsContact OD1-CE1 3.22Å; N388-Y407 WeakPolarHBondContact OD1-CE1 3.46Å; A391-Y407 HydrophobicContact CB-CD1 3.87Å; A391-Y407 HydrophobicContact CB-CE1 3.31Å; A391-Y407 HydrophobicContact CB-CE2 4.14Å; A391-Y407 HydrophobicContact CB-CG 4.5Å; A391-Y407 VanDerWaalsContact CB-CZ 3.46Å; L395-Y407 HydrophobicContact CD1-CE2 4.24Å; L395-Y407 WeakPolarHBondContact CD1-OH 3.46Å; A403-Y407 HydrophobicContact CB-CE2 4.34Å; A403-Y407 WeakPolarHBondContact O-CD2 3.19Å; A403-Y407 PolarHBondContact O-N 2.88Å; E404-Y407 PolarHBondContact O-N 3.5Å; T405-Y407 VanDerWaalsContact C-N 3.34Å; T405-Y407 PolarHBondContact O-N 2.95Å; Y407-E409 PolarHBondContact O-N 2.9Å; Y407-I410 HydrophobicContact CD1-CD1 4.36Å; Y407-I410 PolarHBondContact O-N 2.9Å; Y407-L411 WeakPolarHBondContact O-CG 3.46Å; Y407-L411 PolarHBondContact O-N 3.23Å; Y407-T470 HydrophobicContact CD1-CG2 3.82Å; Y407-T470 HydrophobicContact CG-CG2 4.09Å; Y407-T470 WeakPolarHBondContact O-CG2 3.48Å; Y407-N473 HydrophobicContact CD2-CB 4.23Å; Y407-N473 HydrophobicContact CE1-CB 4.06Å; Y407-N473 HydrophobicContact CE2-CB 3.52Å; Y407-N473 VanDerWaalsContact CZ-CB 3.43Å; Y407-N473 PolarHBondContact OH-ND2 3.08Å; Y407-L474 HydrophobicContact CD2-CB 4.35Å; Y407-L477 HydrophobicContact CD2-CD1 3.78Å; Y407-L477 HydrophobicContact CE2-CD1 3.87Å |
| 408 | K | 92.4 | Very high | 89.2 | Confident | 31 Ų | 31 | 50.2 Ų | 50.2 | 14% | 0.135 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.2 | -45 | 173.2 | -73.5 | -179.8 | 168.9 | 179.3 | 0 | 111.2 | E404 T405 I410 L411 T412 W430 E434 L474 Y478 | E404-K408 HydrophobicContact CG-CD 4.23Å; E404-K408 WeakPolarHBondContact O-CG 3.3Å; E404-K408 PolarHBondContact O-N 3.41Å; E404-K408 VanDerWaalsContact OE1-CE 3.29Å; E404-K408 WeakPolarHBondContact OE1-CE 3.41Å; E404-K408 IonicContact OE1-NZ 2.72Å; E404-K408 PolarHBondContact OE1-NZ 3.26Å; T405-K408 PolarHBondContact O-N 3.13Å; K408-I410 PolarHBondContact O-N 3.37Å; K408-L411 PolarHBondContact O-N 3.32Å; K408-T412 WeakPolarHBondContact O-CB 3.18Å; K408-T412 PolarHBondContact O-N 3.38Å; K408-T412 PolarHBondContact O-OG1 3Å; K408-W430 HydrophobicContact CB-CD2 4.19Å; K408-W430 HydrophobicContact CB-CG 4.48Å; K408-W430 HydrophobicContact CB-CZ2 4.26Å; K408-W430 HydrophobicContact CD-CD2 3.94Å; K408-W430 HydrophobicContact CD-CE3 3.66Å; K408-W430 HydrophobicContact CD-CH2 4.1Å; K408-W430 HydrophobicContact CD-CZ2 4.35Å; K408-W430 HydrophobicContact CD-CZ3 3.74Å; K408-W430 HydrophobicContact CG-CD2 3.7Å; K408-W430 HydrophobicContact CG-CE3 3.96Å; K408-W430 HydrophobicContact CG-CG 4Å; K408-W430 HydrophobicContact CG-CZ2 4.44Å; K408-W430 HydrophobicContact CG-CZ3 4.42Å; K408-W430 PolarHBondContact O-NE1 3Å; K408-E434 WeakPolarHBondContact CE-OE2 3.49Å; K408-E434 IonicContact NZ-OE1 2.75Å; K408-E434 PolarHBondContact NZ-OE1 3.34Å; K408-E434 IonicContact NZ-OE2 2.95Å; K408-E434 PolarHBondContact NZ-OE2 2.96Å; K408-L474 HydrophobicContact CG-CD2 4.34Å; K408-Y478 WeakPolarHBondContact CE-OH 3.41Å; K408-Y478 PolarHBondContact NZ-OH 3.38Å |
| 409 | E | 91.3 | Very high | 88.5 | Confident | 74 Ų | 74 | 51.1 Ų | 51.1 | 35% | 0.346 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.5 | -44 | 174.6 | -74.2 | 173.7 | -152 | 0 | 0 | 113.4 | K387 T405 Y407 R413 | K387-E409 WeakPolarHBondContact CE-OE2 3.4Å; K387-E409 IonicContact NZ-OE2 3.36Å; K387-E409 PolarHBondContact NZ-OE2 3.44Å; T405-E409 WeakPolarHBondContact O-CG 3.47Å; T405-E409 PolarHBondContact O-N 3.42Å; Y407-E409 PolarHBondContact O-N 2.9Å; E409-R413 VanDerWaalsContact O-CB 3.31Å; E409-R413 WeakPolarHBondContact O-CB 3.3Å; E409-R413 PolarHBondContact O-N 2.84Å |
| 410 | I | 89.8 | Confident | 87.9 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 5% | 0.046 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.7 | -44.7 | 177.5 | -66.4 | 162.9 | 0 | 0 | 0 | 110.5 | A384 K387 N388 L406 Y407 K408 R413 A414 T470 | A384-I410 HydrophobicContact CB-CG2 4.32Å; K387-I410 HydrophobicContact CB-CD1 3.62Å; K387-I410 HydrophobicContact CB-CG1 3.76Å; K387-I410 HydrophobicContact CD-CG1 4.03Å; N388-I410 HydrophobicContact CB-CD1 4.3Å; N388-I410 WeakPolarHBondContact OD1-CD1 3.21Å; L406-I410 VanDerWaalsContact O-CG1 3.3Å; L406-I410 WeakPolarHBondContact O-CG1 3.44Å; L406-I410 PolarHBondContact O-N 3.16Å; L406-I410 VanDerWaalsContact O-N 3.13Å; Y407-I410 HydrophobicContact CD1-CD1 4.36Å; Y407-I410 PolarHBondContact O-N 2.9Å; K408-I410 PolarHBondContact O-N 3.37Å; I410-R413 PolarHBondContact O-N 3.27Å; I410-A414 WeakPolarHBondContact O-CB 3.47Å; I410-A414 PolarHBondContact O-N 2.91Å; I410-T470 HydrophobicContact CB-CG2 4.01Å; I410-T470 HydrophobicContact CD1-CG2 4.3Å; I410-T470 HydrophobicContact CG2-CG2 4.04Å |
| 411 | L | 87.6 | Confident | 87.4 | Confident | 6 Ų | 6 | 50.8 Ų | 50.8 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.6 | -41.9 | -178.9 | -66 | 179 | 0 | 0 | 0 | 112.2 | Y407 K408 A414 H415 I429 W430 V467 T470 L471 L474 | Y407-L411 WeakPolarHBondContact O-CG 3.46Å; Y407-L411 PolarHBondContact O-N 3.23Å; K408-L411 PolarHBondContact O-N 3.32Å; L411-A414 PolarHBondContact O-N 2.93Å; L411-H415 WeakPolarHBondContact O-CB 3.35Å; L411-H415 PolarHBondContact O-N 2.86Å; L411-I429 HydrophobicContact CD1-CG2 4.22Å; L411-W430 HydrophobicContact CD1-CB 4.12Å; L411-V467 HydrophobicContact CD2-CG1 3.94Å; L411-T470 HydrophobicContact CD1-CG2 4.26Å; L411-T470 HydrophobicContact CD2-CG2 3.8Å; L411-T470 HydrophobicContact CG-CG2 3.69Å; L411-L471 HydrophobicContact CD1-CD2 3.9Å; L411-L471 HydrophobicContact CD2-CD2 3.62Å; L411-L471 HydrophobicContact CD2-CG 3.89Å; L411-L471 HydrophobicContact CG-CD2 4.43Å; L411-L474 HydrophobicContact CD1-CD2 3.54Å |
| 412 | T | 88.6 | Confident | 86.9 | Confident | 26 Ų | 26 | 44.7 Ų | 44.7 | 16% | 0.16 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.1 | -48.5 | 173.1 | -61 | 0 | 0 | 0 | 0 | 110.2 | K408 A414 H415 E416 V422 P428 W430 | K408-T412 WeakPolarHBondContact O-CB 3.18Å; K408-T412 PolarHBondContact O-N 3.38Å; K408-T412 PolarHBondContact O-OG1 3Å; T412-A414 VanDerWaalsContact C-N 3.34Å; T412-A414 PolarHBondContact O-N 3.38Å; T412-H415 WeakPolarHBondContact O-CB 3.23Å; T412-H415 PolarHBondContact O-N 3.41Å; T412-H415 VanDerWaalsContact O-N 3.13Å; T412-E416 HydrophobicContact CG2-CG 4.35Å; T412-E416 WeakPolarHBondContact O-CG 3.19Å; T412-E416 PolarHBondContact O-N 3.35Å; T412-V422 HydrophobicContact CG2-CG2 4.09Å; T412-P428 HydrophobicContact CG2-CG 4.04Å; T412-W430 PolarHBondContact OG1-NE1 3.19Å |
| 413 | R | 87 | Confident | 86.1 | Confident | 68 Ų | 68 | 45 Ų | 45 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -71 | -30.6 | -176.2 | -165.2 | 57 | -177.3 | 73.8 | -1.8 | 113.7 | D379 E409 I410 E416 R417 | D379-R413 VanDerWaalsContact CG-NH1 3.33Å; D379-R413 IonicContact OD1-CZ 3.05Å; D379-R413 IonicContact OD1-NH1 3.45Å; D379-R413 PolarHBondContact OD1-NH1 3.39Å; D379-R413 IonicContact OD1-NH2 3.38Å; D379-R413 PolarHBondContact OD1-NH2 2.93Å; D379-R413 IonicContact OD2-CZ 3.97Å; D379-R413 IonicContact OD2-NH1 3.92Å; D379-R413 PolarHBondContact OD2-NH1 3.46Å; D379-R413 IonicContact OD2-NH2 2.72Å; D379-R413 PolarHBondContact OD2-NH2 3.2Å; E409-R413 VanDerWaalsContact O-CB 3.31Å; E409-R413 WeakPolarHBondContact O-CB 3.3Å; E409-R413 PolarHBondContact O-N 2.84Å; I410-R413 PolarHBondContact O-N 3.27Å; R413-E416 WeakPolarHBondContact CD-OE2 3.44Å; R413-E416 IonicContact NE-OE2 2.73Å; R413-R417 PolarHBondContact O-N 3.48Å |
| 414 | A | 84.3 | Confident | 85 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.3 | -34.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I410 L411 T412 E418 V462 V467 | I410-A414 WeakPolarHBondContact O-CB 3.47Å; I410-A414 PolarHBondContact O-N 2.91Å; L411-A414 PolarHBondContact O-N 2.93Å; T412-A414 VanDerWaalsContact C-N 3.34Å; T412-A414 PolarHBondContact O-N 3.38Å; A414-E418 VanDerWaalsContact O-CG 3.28Å; A414-E418 WeakPolarHBondContact O-CG 3.31Å; A414-V462 HydrophobicContact CB-CG1 4.38Å; A414-V467 HydrophobicContact CB-CG2 3.93Å |
| 415 | H | 82.6 | Confident | 83.9 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 5% | 0.051 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.5 | -48.1 | 172.7 | 179.3 | 94.5 | 0 | 0 | 0 | 111.3 | L411 T412 R417 E418 F419 N426 K427 P428 | L411-H415 WeakPolarHBondContact O-CB 3.35Å; L411-H415 PolarHBondContact O-N 2.86Å; T412-H415 WeakPolarHBondContact O-CB 3.23Å; T412-H415 PolarHBondContact O-N 3.41Å; T412-H415 VanDerWaalsContact O-N 3.13Å; H415-R417 VanDerWaalsContact C-N 3.26Å; H415-R417 PolarHBondContact O-N 2.84Å; H415-E418 PolarHBondContact O-N 3.39Å; H415-F419 AromaticContact CE1-CD2 3.83Å; H415-F419 AromaticContact ND1-CD2 3.61Å; H415-F419 WeakPolarHBondContact O-CD2 3.22Å; H415-F419 PolarHBondContact O-N 3.08Å; H415-N426 PolarHBondContact CE1-OD1 3.07Å; H415-N426 PolarHBondContact NE2-O 3.33Å; H415-N426 PolarHBondContact NE2-OD1 3.41Å; H415-K427 PolarHBondContact CE1-O 3.15Å; H415-P428 HydrophobicContact CB-CB 4.22Å; H415-P428 HydrophobicContact CB-CG 4.09Å |
| 416 | E | 85.1 | Confident | 83 | Confident | 69 Ų | 69 | 55.1 Ų | 55.1 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.3 | -36.8 | -180 | -74.9 | 170.1 | 166.8 | 0 | 0 | 113.4 | T412 R413 E418 G420 V422 | T412-E416 HydrophobicContact CG2-CG 4.35Å; T412-E416 WeakPolarHBondContact O-CG 3.19Å; T412-E416 PolarHBondContact O-N 3.35Å; R413-E416 WeakPolarHBondContact CD-OE2 3.44Å; R413-E416 IonicContact NE-OE2 2.73Å; E416-E418 VanDerWaalsContact C-N 3.3Å; E416-E418 PolarHBondContact O-N 3.41Å; E416-G420 VanDerWaalsContact CA-O 3.31Å; E416-G420 WeakPolarHBondContact CA-O 3.38Å; E416-G420 VanDerWaalsContact O-CA 3.31Å; E416-G420 WeakPolarHBondContact O-CA 3.41Å; E416-G420 PolarHBondContact O-N 3.05Å; E416-V422 HydrophobicContact CG-CG2 3.98Å |
| 417 | R | 82.5 | Confident | 82.4 | Confident | 112 Ų | 112 | 56.3 Ų | 56.3 | 42% | 0.423 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.8 | -33.2 | 178.1 | -170 | -174.9 | 68.9 | -140.1 | -2.8 | 113 | D379 R413 H415 | D379-R417 VanDerWaalsContact OD1-CD 3.24Å; D379-R417 WeakPolarHBondContact OD1-CD 3.43Å; D379-R417 WeakPolarHBondContact OD1-CG 3.46Å; R413-R417 PolarHBondContact O-N 3.48Å; H415-R417 VanDerWaalsContact C-N 3.26Å; H415-R417 PolarHBondContact O-N 2.84Å |
| 418 | E | 77.4 | Confident | 82 | Confident | 89 Ų | 89 | 56.3 Ų | 56.3 | 42% | 0.416 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -102.6 | -26.4 | -169.7 | -55.9 | -73.9 | 154.5 | 0 | 0 | 112.3 | A414 H415 E416 V462 | A414-E418 VanDerWaalsContact O-CG 3.28Å; A414-E418 WeakPolarHBondContact O-CG 3.31Å; H415-E418 PolarHBondContact O-N 3.39Å; E416-E418 VanDerWaalsContact C-N 3.3Å; E416-E418 PolarHBondContact O-N 3.41Å; E418-V462 HydrophobicContact CG-CG1 4.46Å; E418-V462 HydrophobicContact CG-CG2 3.89Å |
| 419 | F | 75.3 | Confident | 81.6 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 24% | 0.237 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -126.2 | 2 | -173.7 | -52.7 | -64.7 | 0 | 0 | 0 | 114.3 | H415 N426 K458 | H415-F419 AromaticContact CE1-CD2 3.83Å; H415-F419 AromaticContact ND1-CD2 3.61Å; H415-F419 WeakPolarHBondContact O-CD2 3.22Å; H415-F419 PolarHBondContact O-N 3.08Å; F419-N426 WeakPolarHBondContact CB-OD1 3.36Å; F419-N426 PolarHBondContact O-ND2 2.99Å; F419-K458 HydrophobicContact CD1-CB 4.27Å; F419-K458 HydrophobicContact CE1-CB 3.73Å; F419-K458 HydrophobicContact CZ-CB 4Å; F419-K458 WeakPolarHBondContact CZ-O 3.47Å |
| 420 | G | 79.5 | Confident | 81.4 | Confident | 36 Ų | 36 | 53.7 Ų | 53.7 | 37% | 0.371 | 28% | 0.276 | S | S | . | . | trans | 78.1 | -164.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E416 | E416-G420 VanDerWaalsContact CA-O 3.31Å; E416-G420 WeakPolarHBondContact CA-O 3.38Å; E416-G420 VanDerWaalsContact O-CA 3.31Å; E416-G420 WeakPolarHBondContact O-CA 3.41Å; E416-G420 PolarHBondContact O-N 3.05Å | ||
| 421 | S | 81.6 | Confident | 81.2 | Confident | 97 Ų | 97 | 55.7 Ų | 55.7 | 68% | 0.678 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -54.6 | 144.7 | -175.3 | -170.2 | 0 | 0 | 0 | 0 | 112.4 | D423 N426 | S421-D423 PolarHBondContact O-N 2.88Å; S421-N426 PolarHBondContact O-ND2 3.37Å |
| 422 | V | 81.9 | Confident | 81 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 28% | 0.279 | 29% | 0.289 | S | S | . | . | trans | -66.5 | 127.8 | 167.6 | -177.5 | 0 | 0 | 0 | 0 | 109 | T412 E416 P428 M431 | T412-V422 HydrophobicContact CG2-CG2 4.09Å; E416-V422 HydrophobicContact CG-CG2 3.98Å; V422-P428 HydrophobicContact CG1-CG 4.36Å; V422-P428 HydrophobicContact CG2-CG 3.64Å; V422-M431 HydrophobicContact CG1-CE 3.85Å | ||
| 423 | D | 75.3 | Confident | 80.9 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | trans | -138.5 | -174.6 | 170.7 | 66.2 | 36.5 | 0 | 0 | 0 | 109.7 | S421 E425 N426 K427 | S421-D423 PolarHBondContact O-N 2.88Å; D423-E425 VanDerWaalsContact C-N 3.26Å; D423-E425 PolarHBondContact O-N 3.27Å; D423-E425 PolarHBondContact OD1-N 3.36Å; D423-N426 PolarHBondContact O-N 2.95Å; D423-N426 WeakPolarHBondContact OD1-CB 3.34Å; D423-N426 PolarHBondContact OD1-N 2.78Å; D423-K427 WeakPolarHBondContact O-CG 3.48Å | ||
| 424 | D | 69.7 | Low | 80.9 | Confident | 133 Ų | 133 | 53.7 Ų | 53.7 | 71% | 0.711 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -66 | -23.9 | -174.9 | -71.8 | -45.5 | 0 | 0 | 0 | 114.3 | K427 | D424-K427 WeakPolarHBondContact O-CE 3.47Å; D424-K427 PolarHBondContact O-NZ 2.67Å |
| 425 | E | 68.6 | Low | 81 | Confident | 145 Ų | 145 | 56.1 Ų | 56.1 | 68% | 0.678 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -98.6 | -27.4 | 177.8 | -66.9 | -69.2 | 149.3 | 0 | 0 | 111.8 | D423 | D423-E425 VanDerWaalsContact C-N 3.26Å; D423-E425 PolarHBondContact O-N 3.27Å; D423-E425 PolarHBondContact OD1-N 3.36Å |
| 426 | N | 75.9 | Confident | 80.8 | Confident | 34 Ų | 34 | 60 Ų | 60 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -106 | 56.5 | -173.5 | -169.2 | 36.2 | 0 | 0 | 0 | 112.5 | H415 F419 S421 D423 P428 | H415-N426 PolarHBondContact CE1-OD1 3.07Å; H415-N426 PolarHBondContact NE2-O 3.33Å; H415-N426 PolarHBondContact NE2-OD1 3.41Å; F419-N426 WeakPolarHBondContact CB-OD1 3.36Å; F419-N426 PolarHBondContact O-ND2 2.99Å; S421-N426 PolarHBondContact O-ND2 3.37Å; D423-N426 PolarHBondContact O-N 2.95Å; D423-N426 WeakPolarHBondContact OD1-CB 3.34Å; D423-N426 PolarHBondContact OD1-N 2.78Å; N426-P428 WeakPolarHBondContact O-CD 3.41Å |
| 427 | K | 82 | Confident | 80.8 | Confident | 43 Ų | 43 | 57.4 Ų | 57.4 | 19% | 0.187 | 29% | 0.289 | C | S | . | . | trans | -83.4 | 132.1 | -175.9 | -67.6 | 170.6 | 178.3 | 161.8 | 0 | 112.8 | H415 D423 D424 M431 H432 E435 | H415-K427 PolarHBondContact CE1-O 3.15Å; D423-K427 WeakPolarHBondContact O-CG 3.48Å; D424-K427 WeakPolarHBondContact O-CE 3.47Å; D424-K427 PolarHBondContact O-NZ 2.67Å; K427-M431 HydrophobicContact CB-CB 4.36Å; K427-M431 HydrophobicContact CB-CE 4.28Å; K427-M431 HydrophobicContact CG-CE 4.44Å; K427-H432 PolarHBondContact O-CD2 3.28Å; K427-H432 PolarHBondContact O-NE2 3.1Å; K427-E435 WeakPolarHBondContact CD-OE1 3.48Å; K427-E435 WeakPolarHBondContact CE-OE1 3.39Å; K427-E435 IonicContact NZ-OE1 3.87Å; K427-E435 PolarHBondContact NZ-OE1 3.3Å | ||
| 428 | P | 83.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -46.9 | 143.2 | 164.5 | -33 | 31 | 0 | 0 | 0 | 114.2 | T412 H415 V422 N426 W430 M431 | T412-P428 HydrophobicContact CG2-CG 4.04Å; H415-P428 HydrophobicContact CB-CB 4.22Å; H415-P428 HydrophobicContact CB-CG 4.09Å; V422-P428 HydrophobicContact CG1-CG 4.36Å; V422-P428 HydrophobicContact CG2-CG 3.64Å; N426-P428 WeakPolarHBondContact O-CD 3.41Å; P428-W430 PolarHBondContact O-N 3.22Å; P428-M431 HydrophobicContact CB-CE 4.22Å; P428-M431 VanDerWaalsContact CD-CE 3.46Å; P428-M431 HydrophobicContact CG-CE 3.88Å; P428-M431 PolarHBondContact O-N 3.35Å | ||
| 429 | I | 83.3 | Confident | 80.5 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 5% | 0.046 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.3 | -26.1 | -171.6 | -161.5 | 163.5 | 0 | 0 | 0 | 115.6 | L411 A433 A459 L471 L490 A493 | L411-I429 HydrophobicContact CD1-CG2 4.22Å; I429-A433 WeakPolarHBondContact O-CB 3.21Å; I429-A433 PolarHBondContact O-N 3.08Å; I429-A459 HydrophobicContact CB-CB 4.08Å; I429-A459 HydrophobicContact CD1-CB 4.15Å; I429-A459 HydrophobicContact CG1-CB 4.45Å; I429-L471 HydrophobicContact CG2-CD2 3.79Å; I429-L490 HydrophobicContact CG1-CD2 4.49Å; I429-L490 HydrophobicContact CG2-CD2 4.2Å; I429-A493 HydrophobicContact CD1-CB 3.36Å; I429-A493 HydrophobicContact CG1-CB 4.49Å |
| 430 | W | 86.8 | Confident | 80.3 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 15% | 0.152 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -76.6 | -26.7 | 177.2 | 67.5 | -95.9 | 0 | 0 | 0 | 113.4 | K408 L411 T412 P428 E434 L474 | K408-W430 HydrophobicContact CB-CD2 4.19Å; K408-W430 HydrophobicContact CB-CG 4.48Å; K408-W430 HydrophobicContact CB-CZ2 4.26Å; K408-W430 HydrophobicContact CD-CD2 3.94Å; K408-W430 HydrophobicContact CD-CE3 3.66Å; K408-W430 HydrophobicContact CD-CH2 4.1Å; K408-W430 HydrophobicContact CD-CZ2 4.35Å; K408-W430 HydrophobicContact CD-CZ3 3.74Å; K408-W430 HydrophobicContact CG-CD2 3.7Å; K408-W430 HydrophobicContact CG-CE3 3.96Å; K408-W430 HydrophobicContact CG-CG 4Å; K408-W430 HydrophobicContact CG-CZ2 4.44Å; K408-W430 HydrophobicContact CG-CZ3 4.42Å; K408-W430 PolarHBondContact O-NE1 3Å; L411-W430 HydrophobicContact CD1-CB 4.12Å; T412-W430 PolarHBondContact OG1-NE1 3.19Å; P428-W430 PolarHBondContact O-N 3.22Å; W430-E434 VanDerWaalsContact CE3-OE2 3.27Å; W430-E434 VanDerWaalsContact CZ3-OE2 3.26Å; W430-E434 WeakPolarHBondContact CZ3-OE2 3.14Å; W430-E434 PolarHBondContact O-N 2.98Å; W430-E434 VanDerWaalsContact O-N 3.14Å; W430-L474 HydrophobicContact CB-CD2 3.85Å |
| 431 | M | 87.4 | Confident | 79.5 | Confident | 51 Ų | 51 | 63 Ų | 63 | 25% | 0.251 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -73.7 | -46.4 | 174.4 | -77.5 | -170 | -73.6 | 0 | 0 | 110.5 | V422 K427 P428 A433 E434 E435 | V422-M431 HydrophobicContact CG1-CE 3.85Å; K427-M431 HydrophobicContact CB-CB 4.36Å; K427-M431 HydrophobicContact CB-CE 4.28Å; K427-M431 HydrophobicContact CG-CE 4.44Å; P428-M431 HydrophobicContact CB-CE 4.22Å; P428-M431 VanDerWaalsContact CD-CE 3.46Å; P428-M431 HydrophobicContact CG-CE 3.88Å; P428-M431 PolarHBondContact O-N 3.35Å; M431-A433 PolarHBondContact O-N 3.2Å; M431-E434 PolarHBondContact O-N 3.13Å; M431-E435 WeakPolarHBondContact O-CG 3.46Å; M431-E435 PolarHBondContact O-N 3.18Å |
| 432 | H | 83.5 | Confident | 78.2 | Confident | 25 Ų | 25 | 61.3 Ų | 61.3 | 12% | 0.116 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -56.3 | -35.7 | 171.8 | -72.3 | -40.4 | 0 | 0 | 0 | 113 | K427 E435 R436 | K427-H432 PolarHBondContact O-CD2 3.28Å; K427-H432 PolarHBondContact O-NE2 3.1Å; H432-E435 IonicContact CE1-OE2 2.67Å; H432-E435 IonicContact CG-OE2 3.25Å; H432-E435 IonicContact ND1-OE2 2.66Å; H432-E435 PolarHBondContact ND1-OE2 3.42Å; H432-R436 WeakPolarHBondContact O-CB 3.31Å; H432-R436 PolarHBondContact O-N 3.03Å; H432-R436 VanDerWaalsContact O-N 3.11Å |
| 433 | A | 84.5 | Confident | 76.8 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.5 | -39.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I429 M431 E437 A486 T489 L490 | I429-A433 WeakPolarHBondContact O-CB 3.21Å; I429-A433 PolarHBondContact O-N 3.08Å; M431-A433 PolarHBondContact O-N 3.2Å; A433-E437 PolarHBondContact O-N 2.86Å; A433-A486 HydrophobicContact CB-CB 4.14Å; A433-A486 VanDerWaalsContact O-CA 3.31Å; A433-A486 WeakPolarHBondContact O-CA 3.26Å; A433-A486 WeakPolarHBondContact O-CB 3.43Å; A433-T489 HydrophobicContact CB-CG2 4.2Å; A433-L490 HydrophobicContact CB-CD2 4.26Å; A433-L490 HydrophobicContact CB-CG 4.06Å |
| 434 | E | 87.3 | Confident | 75.4 | Confident | 34 Ų | 34 | 67 Ų | 67 | 16% | 0.159 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -74.5 | -38.9 | 176.1 | -70.9 | -172.5 | 131.3 | 0 | 0 | 112.6 | K408 W430 M431 R436 E437 E438 Y478 K483 | K408-E434 WeakPolarHBondContact CE-OE2 3.49Å; K408-E434 IonicContact NZ-OE1 2.75Å; K408-E434 PolarHBondContact NZ-OE1 3.34Å; K408-E434 IonicContact NZ-OE2 2.95Å; K408-E434 PolarHBondContact NZ-OE2 2.96Å; W430-E434 VanDerWaalsContact CE3-OE2 3.27Å; W430-E434 VanDerWaalsContact CZ3-OE2 3.26Å; W430-E434 WeakPolarHBondContact CZ3-OE2 3.14Å; W430-E434 PolarHBondContact O-N 2.98Å; W430-E434 VanDerWaalsContact O-N 3.14Å; M431-E434 PolarHBondContact O-N 3.13Å; E434-R436 VanDerWaalsContact C-N 3.32Å; E434-R436 PolarHBondContact O-N 3.38Å; E434-E437 WeakPolarHBondContact O-CB 3.29Å; E434-E437 PolarHBondContact O-N 3.17Å; E434-E438 PolarHBondContact O-N 3.06Å; E434-E438 VanDerWaalsContact O-N 3.08Å; E434-Y478 HydrophobicContact CG-CE2 4.06Å; E434-Y478 WeakPolarHBondContact CG-OH 3.33Å; E434-Y478 PolarHBondContact OE1-OH 3.09Å; E434-Y478 PolarHBondContact OE2-OH 3.16Å; E434-K483 IonicContact OE1-NZ 2.75Å; E434-K483 PolarHBondContact OE1-NZ 3.09Å |
| 435 | E | 86.2 | Confident | 74 | Confident | 59 Ų | 59 | 69.8 Ų | 69.8 | 28% | 0.276 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 173.4 | -71.5 | 173.8 | 150.8 | 0 | 0 | 111.7 | K427 M431 H432 E438 Q439 | K427-E435 WeakPolarHBondContact CD-OE1 3.48Å; K427-E435 WeakPolarHBondContact CE-OE1 3.39Å; K427-E435 IonicContact NZ-OE1 3.87Å; K427-E435 PolarHBondContact NZ-OE1 3.3Å; M431-E435 WeakPolarHBondContact O-CG 3.46Å; M431-E435 PolarHBondContact O-N 3.18Å; H432-E435 IonicContact CE1-OE2 2.67Å; H432-E435 IonicContact CG-OE2 3.25Å; H432-E435 IonicContact ND1-OE2 2.66Å; H432-E435 PolarHBondContact ND1-OE2 3.42Å; E435-E438 PolarHBondContact O-N 3.34Å; E435-Q439 VanDerWaalsContact O-CG 3.25Å; E435-Q439 WeakPolarHBondContact O-CG 3.4Å; E435-Q439 PolarHBondContact O-N 2.97Å |
| 436 | R | 80.4 | Confident | 72.3 | Confident | 94 Ų | 94 | 69 Ų | 69 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 178.1 | -174.6 | 175.6 | 177.3 | 174 | 2 | 112.3 | H432 E434 E438 Q439 S440 E485 T489 | H432-R436 WeakPolarHBondContact O-CB 3.31Å; H432-R436 PolarHBondContact O-N 3.03Å; H432-R436 VanDerWaalsContact O-N 3.11Å; E434-R436 VanDerWaalsContact C-N 3.32Å; E434-R436 PolarHBondContact O-N 3.38Å; R436-E438 VanDerWaalsContact C-N 3.32Å; R436-E438 PolarHBondContact O-N 2.92Å; R436-Q439 PolarHBondContact O-N 3.39Å; R436-S440 PolarHBondContact O-N 3.09Å; R436-E485 IonicContact NE-OE2 3.85Å; R436-T489 WeakPolarHBondContact CD-OG1 3.5Å; R436-T489 PolarHBondContact NH1-OG1 3.25Å; R436-T489 VanDerWaalsContact NH1-OG1 3.17Å |
| 437 | E | 84.3 | Confident | 70.5 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 7% | 0.065 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.2 | -34.8 | 176.1 | 174.2 | 73.9 | -152.2 | 0 | 0 | 112.6 | A433 E434 K441 K483 F484 E485 A486 | A433-E437 PolarHBondContact O-N 2.86Å; E434-E437 WeakPolarHBondContact O-CB 3.29Å; E434-E437 PolarHBondContact O-N 3.17Å; E437-K441 WeakPolarHBondContact O-CG 3.33Å; E437-K441 PolarHBondContact O-N 3.32Å; E437-K441 WeakPolarHBondContact OE1-CE 3.44Å; E437-K441 IonicContact OE1-NZ 4Å; E437-K441 PolarHBondContact OE1-NZ 3.01Å; E437-K483 VanDerWaalsContact CD-CA 3.4Å; E437-K483 HydrophobicContact CG-CB 3.98Å; E437-K483 HydrophobicContact CG-CG 4.04Å; E437-K483 WeakPolarHBondContact OE1-CA 3.4Å; E437-K483 VanDerWaalsContact OE2-CA 3.24Å; E437-K483 WeakPolarHBondContact OE2-CA 3.5Å; E437-F484 PolarHBondContact OE2-N 3.49Å; E437-E485 PolarHBondContact OE2-N 2.95Å; E437-A486 HydrophobicContact CB-CB 4.03Å; E437-A486 HydrophobicContact CG-CB 4.47Å; E437-A486 PolarHBondContact OE2-N 3.17Å |
| 438 | E | 81.4 | Confident | 68 | Low | 141 Ų | 141 | 74.8 Ų | 74.8 | 66% | 0.659 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -71.8 | -42 | 172.7 | -70 | -176.5 | 172.8 | 0 | 0 | 112 | E434 E435 R436 S440 K441 G442 | E434-E438 PolarHBondContact O-N 3.06Å; E434-E438 VanDerWaalsContact O-N 3.08Å; E435-E438 PolarHBondContact O-N 3.34Å; R436-E438 VanDerWaalsContact C-N 3.32Å; R436-E438 PolarHBondContact O-N 2.92Å; E438-S440 VanDerWaalsContact C-N 3.34Å; E438-S440 PolarHBondContact O-N 3.36Å; E438-K441 PolarHBondContact O-N 3.13Å; E438-G442 PolarHBondContact O-N 3.19Å |
| 439 | Q | 72.2 | Confident | 66 | Low | 91 Ų | 91 | 84.3 Ų | 84.3 | 43% | 0.425 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 177.2 | -71.2 | 168.7 | 19 | 0 | 0 | 112.6 | E435 R436 G442 K443 | E435-Q439 VanDerWaalsContact O-CG 3.25Å; E435-Q439 WeakPolarHBondContact O-CG 3.4Å; E435-Q439 PolarHBondContact O-N 2.97Å; R436-Q439 PolarHBondContact O-N 3.39Å; Q439-G442 PolarHBondContact O-N 2.94Å; Q439-K443 WeakPolarHBondContact O-CB 3.46Å; Q439-K443 PolarHBondContact O-N 2.83Å; Q439-K443 VanDerWaalsContact O-N 3.15Å |
| 440 | S | 70.6 | Confident | 63.7 | Low | 41 Ų | 41 | 90.7 Ų | 90.7 | 29% | 0.287 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 175.1 | 177.9 | 0 | 0 | 0 | 0 | 113 | R436 E438 G442 K443 E485 | R436-S440 PolarHBondContact O-N 3.09Å; E438-S440 VanDerWaalsContact C-N 3.34Å; E438-S440 PolarHBondContact O-N 3.36Å; S440-G442 PolarHBondContact O-N 3.22Å; S440-K443 PolarHBondContact O-N 2.89Å; S440-E485 WeakPolarHBondContact CB-OE1 3.24Å; S440-E485 VanDerWaalsContact CB-OE2 3.28Å; S440-E485 WeakPolarHBondContact CB-OE2 3.48Å; S440-E485 VanDerWaalsContact OG-CD 3.24Å; S440-E485 PolarHBondContact OG-OE1 2.74Å |
| 441 | K | 63.1 | Low | 61.1 | Low | 134 Ų | 134 | 91.8 Ų | 91.8 | 58% | 0.583 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.8 | -27.2 | 173.6 | -73.1 | 166.8 | -175 | 153.3 | 0 | 112.7 | E437 E438 | E437-K441 WeakPolarHBondContact O-CG 3.33Å; E437-K441 PolarHBondContact O-N 3.32Å; E437-K441 WeakPolarHBondContact OE1-CE 3.44Å; E437-K441 IonicContact OE1-NZ 4Å; E437-K441 PolarHBondContact OE1-NZ 3.01Å; E438-K441 PolarHBondContact O-N 3.13Å |
| 442 | G | 54.9 | Low | 58.8 | Low | 62 Ų | 62 | 98 Ų | 98 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -78.4 | -19 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115 | E438 Q439 S440 L444 | E438-G442 PolarHBondContact O-N 3.19Å; Q439-G442 PolarHBondContact O-N 2.94Å; S440-G442 PolarHBondContact O-N 3.22Å; G442-L444 PolarHBondContact O-N 2.94Å |
| 443 | K | 51.7 | Low | 56.7 | Low | 86 Ų | 86 | 103.1 Ų | 103.1 | 37% | 0.374 | 53% | 0.533 | S | S | . | . | trans | -91.5 | 17.7 | -166.6 | -105.8 | -171.6 | 167.9 | -169.1 | 0 | 116.5 | Q439 S440 K445 S448 | Q439-K443 WeakPolarHBondContact O-CB 3.46Å; Q439-K443 PolarHBondContact O-N 2.83Å; Q439-K443 VanDerWaalsContact O-N 3.15Å; S440-K443 PolarHBondContact O-N 2.89Å; K443-K445 PolarHBondContact O-N 3.37Å; K443-S448 PolarHBondContact NZ-O 2.73Å | ||
| 444 | L | 46 | Very low | 54.6 | Low | 172 Ų | 172 | 105.5 Ų | 105.5 | 90% | 0.901 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 3.1 | 167.4 | -100.1 | 167.4 | 0 | 0 | 0 | 114.3 | G442 | G442-L444 PolarHBondContact O-N 2.94Š|
| 445 | K | 39.6 | Very low | 52.5 | Low | 191 Ų | 191 | 105 Ų | 105 | 83% | 0.83 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.6 | 2.3 | -175.2 | -139.4 | -163.9 | 173.7 | -174.5 | 0 | 118.7 | K443 | K443-K445 PolarHBondContact O-N 3.37Š|
| 446 | D | 32.6 | Very low | 50.7 | Low | 127 Ų | 127 | 104 Ų | 104 | 68% | 0.679 | 56% | 0.556 | S | S | * | * | trans | -157.6 | 129.3 | 159.9 | -116.7 | -37.2 | 0 | 0 | 0 | 114.7 | S448 | D446-S448 PolarHBondContact O-N 2.87Š| ||
| 447 | S | 38.3 | Very low | 49.2 | Very low | 126 Ų | 126 | 104.8 Ų | 104.8 | 88% | 0.881 | 56% | 0.559 | S | S | * | * | trans | -95.1 | 82.3 | -179.8 | -165.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 448 | S | 29.5 | Very low | 47.5 | Very low | 73 Ų | 73 | 109.8 Ų | 109.8 | 51% | 0.51 | 58% | 0.581 | S | S | . | * | trans | -106.1 | 127.4 | 169.6 | -45.6 | 0 | 0 | 0 | 0 | 110 | K443 D446 F450 | K443-S448 PolarHBondContact NZ-O 2.73Å; D446-S448 PolarHBondContact O-N 2.87Å; S448-F450 PolarHBondContact O-N 2.88Å | ||
| 449 | Q | 43.4 | Very low | 45.7 | Very low | 201 Ų | 201 | 103.9 Ų | 103.9 | 94% | 0.939 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 123.6 | 171.1 | -78.7 | 168.1 | -62.2 | 0 | 0 | 109.3 | ||
| 450 | F | 33.4 | Very low | 44.6 | Very low | 143 Ų | 143 | 99.8 Ų | 99.8 | 63% | 0.627 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -86.1 | 127.4 | -177.4 | -122.2 | -128.3 | 0 | 0 | 0 | 109.7 | S448 | S448-F450 PolarHBondContact O-N 2.88Š|
| 451 | G | 33.3 | Very low | 43.7 | Very low | 62 Ų | 62 | 104.1 Ų | 104.1 | 64% | 0.639 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 153.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y453 | G451-Y453 PolarHBondContact O-N 3.29Š|
| 452 | E | 37.8 | Very low | 43.3 | Very low | 181 Ų | 181 | 98.3 Ų | 98.3 | 85% | 0.846 | 53% | 0.527 | S | S | * | . | trans | -62.6 | 93.1 | 176.6 | -65 | 178.8 | 118.4 | 0 | 0 | 110.8 | G454 | E452-G454 PolarHBondContact O-N 2.89Š| ||
| 453 | Y | 40.6 | Very low | 43.6 | Very low | 134 Ų | 134 | 98.1 Ų | 98.1 | 53% | 0.525 | 51% | 0.511 | S | S | . | . | trans | -74.4 | 81.8 | 172.1 | -147.2 | -100.9 | 0 | 0 | 0 | 109.1 | G451 G455 | G451-Y453 PolarHBondContact O-N 3.29Å; Y453-G455 PolarHBondContact O-N 3.23Å | ||
| 454 | G | 40.7 | Very low | 44.7 | Very low | 49 Ų | 49 | 95.5 Ų | 95.5 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 11.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | E452 | E452-G454 PolarHBondContact O-N 2.89Š|
| 455 | G | 42.8 | Very low | 46.5 | Very low | 25 Ų | 25 | 92.2 Ų | 92.2 | 26% | 0.258 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -47.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y453 Y457 K458 | Y453-G455 PolarHBondContact O-N 3.23Å; G455-Y457 VanDerWaalsContact C-N 3.26Å; G455-Y457 PolarHBondContact O-N 3.03Å; G455-Y457 VanDerWaalsContact O-N 3.13Å; G455-K458 VanDerWaalsContact O-CB 3.28Å; G455-K458 WeakPolarHBondContact O-CB 3.15Å; G455-K458 PolarHBondContact O-N 3.29Å |
| 456 | W | 47.9 | Very low | 48.6 | Very low | 37 Ų | 37 | 83.9 Ų | 83.9 | 14% | 0.14 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65.6 | -25.3 | -166.6 | 81.7 | -86.5 | 0 | 0 | 0 | 114.7 | K458 A459 C460 E492 A493 R496 | W456-K458 PolarHBondContact O-N 3.39Å; W456-A459 PolarHBondContact O-N 2.98Å; W456-C460 PolarHBondContact O-N 3.18Å; W456-C460 PolarHBondContact O-SG 3.48Å; W456-C460 VanDerWaalsContact O-SG 3.32Å; W456-E492 HydrophobicContact CH2-CB 4.19Å; W456-E492 WeakPolarHBondContact CH2-OE2 3.48Å; W456-A493 HydrophobicContact CZ3-CB 4.33Å; W456-R496 VanDerWaalsContact CZ2-CZ 3.44Å |
| 457 | Y | 49.3 | Very low | 51.1 | Low | 110 Ų | 110 | 78.4 Ų | 78.4 | 43% | 0.431 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.3 | -26.3 | 173.1 | -61.5 | -99.1 | 0 | 0 | 0 | 112.6 | G455 | G455-Y457 VanDerWaalsContact C-N 3.26Å; G455-Y457 PolarHBondContact O-N 3.03Å; G455-Y457 VanDerWaalsContact O-N 3.13Å |
| 458 | K | 48.1 | Very low | 53.5 | Low | 120 Ų | 120 | 73.3 Ų | 73.3 | 52% | 0.522 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -69.1 | -50.4 | 175.4 | -61.8 | 178.3 | -177.8 | 173 | 0 | 110 | F419 G455 W456 C460 K461 | F419-K458 HydrophobicContact CD1-CB 4.27Å; F419-K458 HydrophobicContact CE1-CB 3.73Å; F419-K458 HydrophobicContact CZ-CB 4Å; F419-K458 WeakPolarHBondContact CZ-O 3.47Å; G455-K458 VanDerWaalsContact O-CB 3.28Å; G455-K458 WeakPolarHBondContact O-CB 3.15Å; G455-K458 PolarHBondContact O-N 3.29Å; W456-K458 PolarHBondContact O-N 3.39Å; K458-C460 PolarHBondContact O-N 3.28Å; K458-K461 WeakPolarHBondContact O-CB 3.48Å; K458-K461 WeakPolarHBondContact O-CG 3.48Å; K458-K461 PolarHBondContact O-N 2.9Å |
| 459 | A | 44.1 | Very low | 56.3 | Low | 16 Ų | 16 | 73 Ų | 73 | 13% | 0.132 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.5 | -16.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | I429 W456 K461 | I429-A459 HydrophobicContact CB-CB 4.08Å; I429-A459 HydrophobicContact CD1-CB 4.15Å; I429-A459 HydrophobicContact CG1-CB 4.45Å; W456-A459 PolarHBondContact O-N 2.98Å; A459-K461 VanDerWaalsContact C-N 3.31Å; A459-K461 PolarHBondContact O-N 2.74Å |
| 460 | C | 48.1 | Very low | 58.5 | Low | 6 Ų | 6 | 63.5 Ų | 63.5 | 4% | 0.041 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -13.3 | 174.8 | -64.1 | 0 | 0 | 0 | 0 | 114.5 | W456 K458 V462 | W456-C460 PolarHBondContact O-N 3.18Å; W456-C460 PolarHBondContact O-SG 3.48Å; W456-C460 VanDerWaalsContact O-SG 3.32Å; K458-C460 PolarHBondContact O-N 3.28Å; C460-V462 PolarHBondContact O-N 2.93Å |
| 461 | K | 52.2 | Low | 61.2 | Low | 132 Ų | 132 | 57.1 Ų | 57.1 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.9 | -6.4 | -177.1 | -71 | -173.9 | 173.8 | -173.3 | 0 | 115 | K458 A459 D463 | K458-K461 WeakPolarHBondContact O-CB 3.48Å; K458-K461 WeakPolarHBondContact O-CG 3.48Å; K458-K461 PolarHBondContact O-N 2.9Å; A459-K461 VanDerWaalsContact C-N 3.31Å; A459-K461 PolarHBondContact O-N 2.74Å; K461-D463 PolarHBondContact O-N 3.49Å |
| 462 | V | 56.1 | Low | 64 | Low | 11 Ų | 11 | 57.7 Ų | 57.7 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | trans | -82.1 | 79.5 | -173.6 | -160.6 | 0 | 0 | 0 | 0 | 111.3 | A414 E418 C460 S464 V467 | A414-V462 HydrophobicContact CB-CG1 4.38Å; E418-V462 HydrophobicContact CG-CG1 4.46Å; E418-V462 HydrophobicContact CG-CG2 3.89Å; C460-V462 PolarHBondContact O-N 2.93Å; V462-S464 PolarHBondContact O-N 3.28Å; V462-V467 HydrophobicContact CG1-CG2 4.25Å | ||
| 463 | D | 60.9 | Low | 66.5 | Low | 59 Ų | 59 | 51.4 Ų | 51.4 | 32% | 0.316 | 27% | 0.273 | S | S | . | . | trans | -71.2 | 65.6 | 178.8 | -77.8 | -19.3 | 0 | 0 | 0 | 113 | K461 S497 G501 N504 | K461-D463 PolarHBondContact O-N 3.49Å; D463-S497 PolarHBondContact OD1-OG 3.07Å; D463-G501 WeakPolarHBondContact OD2-CA 3.17Å; D463-G501 PolarHBondContact OD2-N 2.89Å; D463-N504 PolarHBondContact OD2-ND2 3.36Å | ||
| 464 | S | 74.9 | Confident | 69 | Low | 30 Ų | 30 | 45 Ų | 45 | 21% | 0.21 | 25% | 0.248 | C | C | . | . | trans | -117.8 | 120.2 | 170.1 | 179 | 0 | 0 | 0 | 0 | 109.9 | V462 T466 V467 T468 | V462-S464 PolarHBondContact O-N 3.28Å; S464-T466 PolarHBondContact O-N 3.13Å; S464-V467 WeakPolarHBondContact O-CA 3.42Å; S464-V467 WeakPolarHBondContact O-CB 3.49Å; S464-V467 PolarHBondContact O-N 3.49Å; S464-T468 PolarHBondContact O-N 3.39Å; S464-T468 PolarHBondContact O-OG1 3.41Å | ||
| 465 | P | 82.4 | Confident | 71.4 | Confident | 103 Ų | 103 | 42.7 Ų | 42.7 | 67% | 0.669 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -53.4 | -30.6 | 176.6 | -27.9 | 34.9 | 0 | 0 | 0 | 113.2 | T468 T469 | P465-T468 PolarHBondContact O-N 3.08Å; P465-T469 PolarHBondContact O-N 2.98Å; P465-T469 PolarHBondContact O-OG1 2.81Å; P465-T469 VanDerWaalsContact O-OG1 3.04Å |
| 466 | T | 83.6 | Confident | 73.7 | Confident | 16 Ų | 16 | 43.7 Ų | 43.7 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.7 | -47.1 | 174.9 | -47.8 | 0 | 0 | 0 | 0 | 111.1 | A384 K385 N388 S464 T469 T470 | A384-T466 HydrophobicContact CB-CG2 3.87Å; K385-T466 HydrophobicContact CG-CG2 4.01Å; N388-T466 VanDerWaalsContact ND2-CG2 3.26Å; N388-T466 WeakPolarHBondContact ND2-CG2 3.29Å; N388-T466 PolarHBondContact ND2-O 2.82Å; S464-T466 PolarHBondContact O-N 3.13Å; T466-T469 PolarHBondContact O-N 3.34Å; T466-T470 PolarHBondContact O-N 2.99Å; T466-T470 PolarHBondContact O-OG1 3.15Å |
| 467 | V | 85.7 | Confident | 75.8 | Confident | 12 Ų | 12 | 42.1 Ų | 42.1 | 7% | 0.073 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.1 | -41.8 | 177.6 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | L411 A414 V462 S464 T469 T470 L471 | L411-V467 HydrophobicContact CD2-CG1 3.94Å; A414-V467 HydrophobicContact CB-CG2 3.93Å; V462-V467 HydrophobicContact CG1-CG2 4.25Å; S464-V467 WeakPolarHBondContact O-CA 3.42Å; S464-V467 WeakPolarHBondContact O-CB 3.49Å; S464-V467 PolarHBondContact O-N 3.49Å; V467-T469 VanDerWaalsContact C-N 3.27Å; V467-T469 PolarHBondContact O-N 2.93Å; V467-T470 WeakPolarHBondContact O-CB 3.47Å; V467-T470 PolarHBondContact O-N 2.95Å; V467-T470 VanDerWaalsContact O-N 3.1Å; V467-L471 HydrophobicContact CG1-CD1 4.38Å; V467-L471 HydrophobicContact CG1-CG 4.46Å; V467-L471 WeakPolarHBondContact O-CG 3.42Å; V467-L471 PolarHBondContact O-N 2.94Å |
| 468 | T | 87.6 | Confident | 77.8 | Confident | 20 Ų | 20 | 36.9 Ų | 36.9 | 12% | 0.123 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59 | -38.6 | 173.9 | -37.3 | 0 | 0 | 0 | 0 | 112.1 | S464 P465 K472 A494 | S464-T468 PolarHBondContact O-N 3.39Å; S464-T468 PolarHBondContact O-OG1 3.41Å; P465-T468 PolarHBondContact O-N 3.08Å; T468-K472 WeakPolarHBondContact O-CG 3.46Å; T468-K472 PolarHBondContact O-N 3.16Å; T468-A494 HydrophobicContact CG2-CB 4.08Å; T468-A494 WeakPolarHBondContact CG2-O 3.21Å |
| 469 | T | 89.1 | Confident | 79.9 | Confident | 67 Ų | 67 | 36.9 Ų | 36.9 | 41% | 0.411 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -68.3 | -41 | 173.8 | -62.5 | 0 | 0 | 0 | 0 | 111.9 | P465 T466 V467 K472 N473 | P465-T469 PolarHBondContact O-N 2.98Å; P465-T469 PolarHBondContact O-OG1 2.81Å; P465-T469 VanDerWaalsContact O-OG1 3.04Å; T466-T469 PolarHBondContact O-N 3.34Å; V467-T469 VanDerWaalsContact C-N 3.27Å; V467-T469 PolarHBondContact O-N 2.93Å; T469-K472 PolarHBondContact O-N 3.46Å; T469-N473 WeakPolarHBondContact O-CB 3.38Å; T469-N473 VanDerWaalsContact O-CG 3.23Å; T469-N473 PolarHBondContact O-N 2.94Å; T469-N473 PolarHBondContact O-ND2 3.06Å |
| 470 | T | 90.2 | Very high | 82 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.9 | -49.5 | 174.4 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | N388 Y407 I410 L411 T466 V467 K472 N473 L474 | N388-T470 VanDerWaalsContact CG-OG1 3.26Å; N388-T470 PolarHBondContact ND2-OG1 3.08Å; N388-T470 PolarHBondContact OD1-OG1 3.19Å; Y407-T470 HydrophobicContact CD1-CG2 3.82Å; Y407-T470 HydrophobicContact CG-CG2 4.09Å; Y407-T470 WeakPolarHBondContact O-CG2 3.48Å; I410-T470 HydrophobicContact CB-CG2 4.01Å; I410-T470 HydrophobicContact CD1-CG2 4.3Å; I410-T470 HydrophobicContact CG2-CG2 4.04Å; L411-T470 HydrophobicContact CD1-CG2 4.26Å; L411-T470 HydrophobicContact CD2-CG2 3.8Å; L411-T470 HydrophobicContact CG-CG2 3.69Å; T466-T470 PolarHBondContact O-N 2.99Å; T466-T470 PolarHBondContact O-OG1 3.15Å; V467-T470 WeakPolarHBondContact O-CB 3.47Å; V467-T470 PolarHBondContact O-N 2.95Å; V467-T470 VanDerWaalsContact O-N 3.1Å; T470-K472 VanDerWaalsContact C-N 3.33Å; T470-K472 PolarHBondContact O-N 3.32Å; T470-N473 PolarHBondContact O-N 3.21Å; T470-L474 WeakPolarHBondContact O-CB 3.24Å; T470-L474 PolarHBondContact O-N 2.95Å |
| 471 | L | 90.1 | Very high | 84 | Confident | 10 Ų | 10 | 48.3 Ų | 48.3 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -55.2 | -47.2 | 177.9 | -71.4 | 171.6 | 0 | 0 | 0 | 111.7 | L411 I429 V467 L474 G475 L490 A493 A494 | L411-L471 HydrophobicContact CD1-CD2 3.9Å; L411-L471 HydrophobicContact CD2-CD2 3.62Å; L411-L471 HydrophobicContact CD2-CG 3.89Å; L411-L471 HydrophobicContact CG-CD2 4.43Å; I429-L471 HydrophobicContact CG2-CD2 3.79Å; V467-L471 HydrophobicContact CG1-CD1 4.38Å; V467-L471 HydrophobicContact CG1-CG 4.46Å; V467-L471 WeakPolarHBondContact O-CG 3.42Å; V467-L471 PolarHBondContact O-N 2.94Å; L471-L474 PolarHBondContact O-N 3.2Å; L471-G475 PolarHBondContact O-N 3.04Å; L471-L490 HydrophobicContact CD2-CD2 3.73Å; L471-A493 HydrophobicContact CD1-CB 4.21Å; L471-A494 HydrophobicContact CB-CB 3.87Å; L471-A494 HydrophobicContact CD1-CB 4.18Å |
| 472 | K | 90.8 | Very high | 85.7 | Confident | 74 Ų | 74 | 43.6 Ų | 43.6 | 32% | 0.322 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.1 | -43 | 178.6 | -71.2 | -179.9 | 178.9 | -166.7 | 0 | 113.1 | T468 T469 T470 G475 A476 A494 | T468-K472 WeakPolarHBondContact O-CG 3.46Å; T468-K472 PolarHBondContact O-N 3.16Å; T469-K472 PolarHBondContact O-N 3.46Å; T470-K472 VanDerWaalsContact C-N 3.33Å; T470-K472 PolarHBondContact O-N 3.32Å; K472-G475 PolarHBondContact O-N 3.4Å; K472-A476 WeakPolarHBondContact O-CB 3.39Å; K472-A476 PolarHBondContact O-N 3.28Å; K472-A494 HydrophobicContact CG-CB 3.8Å |
| 473 | N | 92.1 | Very high | 87.3 | Confident | 49 Ų | 49 | 45.2 Ų | 45.2 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.9 | -35.1 | -179.7 | -67.7 | -17.4 | 0 | 0 | 0 | 111.8 | Y407 T469 T470 L477 | Y407-N473 HydrophobicContact CD2-CB 4.23Å; Y407-N473 HydrophobicContact CE1-CB 4.06Å; Y407-N473 HydrophobicContact CE2-CB 3.52Å; Y407-N473 VanDerWaalsContact CZ-CB 3.43Å; Y407-N473 PolarHBondContact OH-ND2 3.08Å; T469-N473 WeakPolarHBondContact O-CB 3.38Å; T469-N473 VanDerWaalsContact O-CG 3.23Å; T469-N473 PolarHBondContact O-N 2.94Å; T469-N473 PolarHBondContact O-ND2 3.06Å; T470-N473 PolarHBondContact O-N 3.21Å; N473-L477 PolarHBondContact O-N 2.93Å |
| 474 | L | 92.2 | Very high | 88.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.5 | -41.7 | 174.1 | -174.1 | 61.8 | 0 | 0 | 0 | 111.8 | E404 Y407 K408 L411 W430 T470 L471 A476 L477 Y478 L490 | E404-L474 HydrophobicContact CG-CD1 3.78Å; Y407-L474 HydrophobicContact CD2-CB 4.35Å; K408-L474 HydrophobicContact CG-CD2 4.34Å; L411-L474 HydrophobicContact CD1-CD2 3.54Å; W430-L474 HydrophobicContact CB-CD2 3.85Å; T470-L474 WeakPolarHBondContact O-CB 3.24Å; T470-L474 PolarHBondContact O-N 2.95Å; L471-L474 PolarHBondContact O-N 3.2Å; L474-A476 VanDerWaalsContact C-N 3.32Å; L474-A476 PolarHBondContact O-N 3.46Å; L474-L477 HydrophobicContact CD1-CD1 4.47Å; L474-L477 WeakPolarHBondContact O-CB 3.29Å; L474-L477 PolarHBondContact O-N 3Å; L474-L477 VanDerWaalsContact O-N 3.1Å; L474-Y478 HydrophobicContact CD1-CD1 4.26Å; L474-Y478 HydrophobicContact CD1-CE1 3.78Å; L474-Y478 HydrophobicContact CD2-CE2 4.43Å; L474-Y478 HydrophobicContact CG-CE1 4.26Å; L474-Y478 HydrophobicContact CG-CE2 4.19Å; L474-Y478 PolarHBondContact O-N 2.95Å; L474-L490 HydrophobicContact CB-CD1 4.01Å; L474-L490 HydrophobicContact CD2-CD1 3.77Å; L474-L490 HydrophobicContact CG-CD1 3.66Å |
| 475 | G | 90.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.6 | -43.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L471 K472 L477 Y478 R479 A487 | L471-G475 PolarHBondContact O-N 3.04Å; K472-G475 PolarHBondContact O-N 3.4Å; G475-L477 VanDerWaalsContact C-N 3.33Å; G475-L477 PolarHBondContact O-N 3.22Å; G475-Y478 PolarHBondContact O-N 3.24Å; G475-R479 WeakPolarHBondContact O-CB 3.47Å; G475-R479 PolarHBondContact O-N 2.88Å; G475-A487 VanDerWaalsContact O-CB 3.25Å; G475-A487 WeakPolarHBondContact O-CB 3.46Å |
| 476 | A | 91.7 | Very high | 89.3 | Confident | 45 Ų | 45 | 44.9 Ų | 44.9 | 37% | 0.372 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.3 | -34.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K472 L474 R480 | K472-A476 WeakPolarHBondContact O-CB 3.39Å; K472-A476 PolarHBondContact O-N 3.28Å; L474-A476 VanDerWaalsContact C-N 3.32Å; L474-A476 PolarHBondContact O-N 3.46Å; A476-R480 WeakPolarHBondContact O-CG 3.43Å; A476-R480 PolarHBondContact O-N 2.92Å |
| 477 | L | 92.1 | Very high | 89.6 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.2 | -47.7 | 171.8 | -85.1 | 176.2 | 0 | 0 | 0 | 111.9 | L395 F400 A403 E404 Y407 N473 L474 G475 R479 R480 Q481 | L395-L477 HydrophobicContact CD2-CD1 4.11Å; L395-L477 HydrophobicContact CD2-CD2 3.55Å; L395-L477 HydrophobicContact CD2-CG 3.96Å; F400-L477 HydrophobicContact CB-CD2 4.02Å; F400-L477 HydrophobicContact CD1-CD2 3.76Å; F400-L477 HydrophobicContact CG-CD2 4.26Å; A403-L477 HydrophobicContact CB-CD1 4.22Å; E404-L477 HydrophobicContact CB-CD1 4.1Å; Y407-L477 HydrophobicContact CD2-CD1 3.78Å; Y407-L477 HydrophobicContact CE2-CD1 3.87Å; N473-L477 PolarHBondContact O-N 2.93Å; L474-L477 HydrophobicContact CD1-CD1 4.47Å; L474-L477 WeakPolarHBondContact O-CB 3.29Å; L474-L477 PolarHBondContact O-N 3Å; L474-L477 VanDerWaalsContact O-N 3.1Å; G475-L477 VanDerWaalsContact C-N 3.33Å; G475-L477 PolarHBondContact O-N 3.22Å; L477-R479 VanDerWaalsContact C-N 3.35Å; L477-R479 PolarHBondContact O-N 3.38Å; L477-R480 CarbonylContact O-C 3.59Å; L477-R480 WeakPolarHBondContact O-CA 3.48Å; L477-R480 WeakPolarHBondContact O-CB 3.36Å; L477-R480 PolarHBondContact O-N 3.01Å; L477-Q481 WeakPolarHBondContact O-CG 3.25Å; L477-Q481 PolarHBondContact O-N 3.45Å |
| 478 | Y | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61 | -41.9 | 177.9 | -74.8 | -7.3 | 0 | 0 | 0 | 112 | E404 K408 E434 L474 G475 R480 Q481 G482 K483 A486 L490 | E404-Y478 HydrophobicContact CG-CE1 4.32Å; K408-Y478 WeakPolarHBondContact CE-OH 3.41Å; K408-Y478 PolarHBondContact NZ-OH 3.38Å; E434-Y478 HydrophobicContact CG-CE2 4.06Å; E434-Y478 WeakPolarHBondContact CG-OH 3.33Å; E434-Y478 PolarHBondContact OE1-OH 3.09Å; E434-Y478 PolarHBondContact OE2-OH 3.16Å; L474-Y478 HydrophobicContact CD1-CD1 4.26Å; L474-Y478 HydrophobicContact CD1-CE1 3.78Å; L474-Y478 HydrophobicContact CD2-CE2 4.43Å; L474-Y478 HydrophobicContact CG-CE1 4.26Å; L474-Y478 HydrophobicContact CG-CE2 4.19Å; L474-Y478 PolarHBondContact O-N 2.95Å; G475-Y478 PolarHBondContact O-N 3.24Å; Y478-R480 VanDerWaalsContact C-N 3.27Å; Y478-R480 PolarHBondContact O-N 3.32Å; Y478-Q481 CarbonylContact O-C 3.51Å; Y478-Q481 WeakPolarHBondContact O-CA 3.42Å; Y478-Q481 WeakPolarHBondContact O-CB 3.48Å; Y478-Q481 PolarHBondContact O-N 3.5Å; Y478-G482 PolarHBondContact O-N 3.03Å; Y478-G482 VanDerWaalsContact O-N 3.11Å; Y478-K483 CarbonylContact C-O 3.53Å; Y478-K483 HydrophobicContact CD1-CD 3.99Å; Y478-K483 HydrophobicContact CE1-CD 4.38Å; Y478-K483 HydrophobicContact CG-CB 4.41Å; Y478-K483 HydrophobicContact CG-CD 4.23Å; Y478-K483 PolarHBondContact O-N 2.91Å; Y478-A486 HydrophobicContact CD2-CB 3.4Å; Y478-A486 HydrophobicContact CE2-CB 3.82Å; Y478-A486 HydrophobicContact CG-CB 4.16Å; Y478-L490 HydrophobicContact CD2-CD1 3.59Å; Y478-L490 HydrophobicContact CE2-CD1 3.55Å |
| 479 | R | 91.2 | Very high | 89.5 | Confident | 119 Ų | 119 | 47.9 Ų | 47.9 | 45% | 0.449 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.6 | -37.6 | 172.1 | -167.6 | -176.2 | -67.4 | -93.3 | 5.5 | 112.3 | G475 L477 G482 F484 A487 E491 | G475-R479 WeakPolarHBondContact O-CB 3.47Å; G475-R479 PolarHBondContact O-N 2.88Å; L477-R479 VanDerWaalsContact C-N 3.35Å; L477-R479 PolarHBondContact O-N 3.38Å; R479-G482 PolarHBondContact O-N 3.29Å; R479-F484 HydrophobicContact CG-CD1 4.19Å; R479-F484 HydrophobicContact CG-CE1 4.04Å; R479-A487 HydrophobicContact CB-CB 4.02Å; R479-E491 IonicContact CZ-OE1 3.55Å; R479-E491 IonicContact CZ-OE2 2.82Å; R479-E491 IonicContact NE-OE1 3.36Å; R479-E491 PolarHBondContact NE-OE1 3.5Å; R479-E491 IonicContact NH2-OE1 3.67Å; R479-E491 PolarHBondContact NH2-OE1 2.96Å; R479-E491 IonicContact NH2-OE2 3.79Å; R479-E491 PolarHBondContact NH2-OE2 3.02Å |
| 480 | R | 88.7 | Confident | 89.4 | Confident | 182 Ų | 182 | 44.7 Ų | 44.7 | 69% | 0.687 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -73.1 | -22.9 | 174 | -70.8 | 177.2 | 68.9 | 147.1 | 7.9 | 113.9 | F400 A476 L477 Y478 G482 | F400-R480 VanDerWaalsContact CZ-NH2 3.26Å; A476-R480 WeakPolarHBondContact O-CG 3.43Å; A476-R480 PolarHBondContact O-N 2.92Å; L477-R480 CarbonylContact O-C 3.59Å; L477-R480 WeakPolarHBondContact O-CA 3.48Å; L477-R480 WeakPolarHBondContact O-CB 3.36Å; L477-R480 PolarHBondContact O-N 3.01Å; Y478-R480 VanDerWaalsContact C-N 3.27Å; Y478-R480 PolarHBondContact O-N 3.32Å; R480-G482 VanDerWaalsContact C-N 3.32Å |
| 481 | Q | 89 | Confident | 89.1 | Confident | 81 Ų | 81 | 47.6 Ų | 47.6 | 38% | 0.379 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -84.9 | -5.3 | 172.9 | -66.4 | 176.5 | 11.2 | 0 | 0 | 112.8 | E404 L477 Y478 K483 | E404-Q481 PolarHBondContact OE2-NE2 3.11Å; L477-Q481 WeakPolarHBondContact O-CG 3.25Å; L477-Q481 PolarHBondContact O-N 3.45Å; Y478-Q481 CarbonylContact O-C 3.51Å; Y478-Q481 WeakPolarHBondContact O-CA 3.42Å; Y478-Q481 WeakPolarHBondContact O-CB 3.48Å; Y478-Q481 PolarHBondContact O-N 3.5Å; Q481-K483 VanDerWaalsContact C-N 3.31Å; Q481-K483 HydrophobicContact CB-CG 4.35Å; Q481-K483 VanDerWaalsContact OE1-NZ 3.09Å |
| 482 | G | 87.8 | Confident | 88.9 | Confident | 32 Ų | 32 | 50 Ų | 50 | 33% | 0.33 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 12.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y478 R479 R480 F484 | Y478-G482 PolarHBondContact O-N 3.03Å; Y478-G482 VanDerWaalsContact O-N 3.11Å; R479-G482 PolarHBondContact O-N 3.29Å; R480-G482 VanDerWaalsContact C-N 3.32Å; G482-F484 VanDerWaalsContact O-CD2 3.31Å; G482-F484 WeakPolarHBondContact O-CD2 3.4Å; G482-F484 PolarHBondContact O-N 2.9Å |
| 483 | K | 90.6 | Very high | 88.4 | Confident | 46 Ų | 46 | 46.6 Ų | 46.6 | 20% | 0.2 | 22% | 0.221 | C | C | . | . | trans | -86.9 | 78.7 | 172.5 | -64 | 177.2 | 179.2 | 164.3 | 0 | 109.9 | E434 E437 Y478 Q481 A486 A487 | E434-K483 IonicContact OE1-NZ 2.75Å; E434-K483 PolarHBondContact OE1-NZ 3.09Å; E437-K483 VanDerWaalsContact CD-CA 3.4Å; E437-K483 HydrophobicContact CG-CB 3.98Å; E437-K483 HydrophobicContact CG-CG 4.04Å; E437-K483 WeakPolarHBondContact OE1-CA 3.4Å; E437-K483 VanDerWaalsContact OE2-CA 3.24Å; E437-K483 WeakPolarHBondContact OE2-CA 3.5Å; Y478-K483 CarbonylContact C-O 3.53Å; Y478-K483 HydrophobicContact CD1-CD 3.99Å; Y478-K483 HydrophobicContact CE1-CD 4.38Å; Y478-K483 HydrophobicContact CG-CB 4.41Å; Y478-K483 HydrophobicContact CG-CD 4.23Å; Y478-K483 PolarHBondContact O-N 2.91Å; Q481-K483 VanDerWaalsContact C-N 3.31Å; Q481-K483 HydrophobicContact CB-CG 4.35Å; Q481-K483 VanDerWaalsContact OE1-NZ 3.09Å; K483-A486 HydrophobicContact CB-CB 4.02Å; K483-A487 WeakPolarHBondContact O-CB 3.34Å; K483-A487 PolarHBondContact O-N 3.35Å | ||
| 484 | F | 88.1 | Confident | 87.8 | Confident | 127 Ų | 127 | 44.2 Ų | 44.2 | 56% | 0.557 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -74.6 | -36.4 | -170.1 | -66.3 | -74.8 | 0 | 0 | 0 | 113.9 | E437 R479 G482 A487 E488 | E437-F484 PolarHBondContact OE2-N 3.49Å; R479-F484 HydrophobicContact CG-CD1 4.19Å; R479-F484 HydrophobicContact CG-CE1 4.04Å; G482-F484 VanDerWaalsContact O-CD2 3.31Å; G482-F484 WeakPolarHBondContact O-CD2 3.4Å; G482-F484 PolarHBondContact O-N 2.9Å; F484-A487 WeakPolarHBondContact O-CB 3.34Å; F484-A487 PolarHBondContact O-N 2.96Å; F484-E488 PolarHBondContact O-N 3.33Å |
| 485 | E | 85.4 | Confident | 87.1 | Confident | 58 Ų | 58 | 49.7 Ų | 49.7 | 27% | 0.271 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -77.6 | -34.2 | -179.3 | -64 | -161.1 | -170.3 | 0 | 0 | 111.9 | R436 E437 S440 A487 E488 T489 | R436-E485 IonicContact NE-OE2 3.85Å; E437-E485 PolarHBondContact OE2-N 2.95Å; S440-E485 WeakPolarHBondContact CB-OE1 3.24Å; S440-E485 VanDerWaalsContact CB-OE2 3.28Å; S440-E485 WeakPolarHBondContact CB-OE2 3.48Å; S440-E485 VanDerWaalsContact OG-CD 3.24Å; S440-E485 PolarHBondContact OG-OE1 2.74Å; E485-A487 VanDerWaalsContact C-N 3.27Å; E485-A487 PolarHBondContact O-N 3.47Å; E485-E488 PolarHBondContact O-N 2.94Å; E485-T489 WeakPolarHBondContact O-CB 3.45Å; E485-T489 PolarHBondContact O-N 2.97Å; E485-T489 PolarHBondContact O-OG1 3.38Å |
| 486 | A | 86.6 | Confident | 86.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.1 | -39 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111 | A433 E437 Y478 K483 L490 | A433-A486 HydrophobicContact CB-CB 4.14Å; A433-A486 VanDerWaalsContact O-CA 3.31Å; A433-A486 WeakPolarHBondContact O-CA 3.26Å; A433-A486 WeakPolarHBondContact O-CB 3.43Å; E437-A486 HydrophobicContact CB-CB 4.03Å; E437-A486 HydrophobicContact CG-CB 4.47Å; E437-A486 PolarHBondContact OE2-N 3.17Å; Y478-A486 HydrophobicContact CD2-CB 3.4Å; Y478-A486 HydrophobicContact CE2-CB 3.82Å; Y478-A486 HydrophobicContact CG-CB 4.16Å; K483-A486 HydrophobicContact CB-CB 4.02Å; A486-L490 WeakPolarHBondContact O-CG 3.29Å; A486-L490 PolarHBondContact O-N 2.89Å |
| 487 | A | 89.2 | Confident | 84.7 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.8 | -47.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G475 R479 K483 F484 E485 T489 L490 E491 | G475-A487 VanDerWaalsContact O-CB 3.25Å; G475-A487 WeakPolarHBondContact O-CB 3.46Å; R479-A487 HydrophobicContact CB-CB 4.02Å; K483-A487 WeakPolarHBondContact O-CB 3.34Å; K483-A487 PolarHBondContact O-N 3.35Å; F484-A487 WeakPolarHBondContact O-CB 3.34Å; F484-A487 PolarHBondContact O-N 2.96Å; E485-A487 VanDerWaalsContact C-N 3.27Å; E485-A487 PolarHBondContact O-N 3.47Å; A487-T489 PolarHBondContact O-N 2.91Å; A487-L490 PolarHBondContact O-N 2.88Å; A487-E491 WeakPolarHBondContact O-CB 3.36Å; A487-E491 WeakPolarHBondContact O-CG 3.46Å; A487-E491 PolarHBondContact O-N 2.68Å |
| 488 | E | 87.2 | Confident | 83 | Confident | 103 Ų | 103 | 58.4 Ų | 58.4 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 178.3 | -176.1 | 169.2 | -132.7 | 0 | 0 | 111.9 | F484 E485 L490 E491 E492 | F484-E488 PolarHBondContact O-N 3.33Å; E485-E488 PolarHBondContact O-N 2.94Å; E488-L490 VanDerWaalsContact C-N 3.33Å; E488-L490 PolarHBondContact O-N 3.47Å; E488-E491 PolarHBondContact O-N 2.95Å; E488-E491 VanDerWaalsContact O-N 3.15Å; E488-E492 PolarHBondContact O-N 3.42Å |
| 489 | T | 85.7 | Confident | 81.4 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 4% | 0.043 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 178.6 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | A433 R436 E485 A487 A493 | A433-T489 HydrophobicContact CB-CG2 4.2Å; R436-T489 WeakPolarHBondContact CD-OG1 3.5Å; R436-T489 PolarHBondContact NH1-OG1 3.25Å; R436-T489 VanDerWaalsContact NH1-OG1 3.17Å; E485-T489 WeakPolarHBondContact O-CB 3.45Å; E485-T489 PolarHBondContact O-N 2.97Å; E485-T489 PolarHBondContact O-OG1 3.38Å; A487-T489 PolarHBondContact O-N 2.91Å; T489-A493 PolarHBondContact O-N 3.49Å |
| 490 | L | 85.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.6 | -35.3 | 176.1 | -67.8 | 176.2 | 0 | 0 | 0 | 112.9 | I429 A433 L471 L474 Y478 A486 A487 E488 A494 | I429-L490 HydrophobicContact CG1-CD2 4.49Å; I429-L490 HydrophobicContact CG2-CD2 4.2Å; A433-L490 HydrophobicContact CB-CD2 4.26Å; A433-L490 HydrophobicContact CB-CG 4.06Å; L471-L490 HydrophobicContact CD2-CD2 3.73Å; L474-L490 HydrophobicContact CB-CD1 4.01Å; L474-L490 HydrophobicContact CD2-CD1 3.77Å; L474-L490 HydrophobicContact CG-CD1 3.66Å; Y478-L490 HydrophobicContact CD2-CD1 3.59Å; Y478-L490 HydrophobicContact CE2-CD1 3.55Å; A486-L490 WeakPolarHBondContact O-CG 3.29Å; A486-L490 PolarHBondContact O-N 2.89Å; A487-L490 PolarHBondContact O-N 2.88Å; E488-L490 VanDerWaalsContact C-N 3.33Å; E488-L490 PolarHBondContact O-N 3.47Å; L490-A494 WeakPolarHBondContact O-CB 3.36Å; L490-A494 PolarHBondContact O-N 3.05Å |
| 491 | E | 85.5 | Confident | 77.8 | Confident | 61 Ų | 61 | 55.4 Ų | 55.4 | 29% | 0.285 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.9 | -40.4 | 176.6 | -74.3 | 177.4 | -157.9 | 0 | 0 | 111.9 | R479 A487 E488 A494 M495 | R479-E491 IonicContact CZ-OE1 3.55Å; R479-E491 IonicContact CZ-OE2 2.82Å; R479-E491 IonicContact NE-OE1 3.36Å; R479-E491 PolarHBondContact NE-OE1 3.5Å; R479-E491 IonicContact NH2-OE1 3.67Å; R479-E491 PolarHBondContact NH2-OE1 2.96Å; R479-E491 IonicContact NH2-OE2 3.79Å; R479-E491 PolarHBondContact NH2-OE2 3.02Å; A487-E491 WeakPolarHBondContact O-CB 3.36Å; A487-E491 WeakPolarHBondContact O-CG 3.46Å; A487-E491 PolarHBondContact O-N 2.68Å; E488-E491 PolarHBondContact O-N 2.95Å; E488-E491 VanDerWaalsContact O-N 3.15Å; E491-A494 PolarHBondContact O-N 3.03Å; E491-M495 WeakPolarHBondContact O-CG 3.37Å; E491-M495 PolarHBondContact O-N 3.24Å |
| 492 | E | 84.2 | Confident | 76 | Confident | 62 Ų | 62 | 56.9 Ų | 56.9 | 29% | 0.29 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.8 | -48.3 | 170.9 | -82.8 | -160.8 | -147.1 | 0 | 0 | 111.9 | W456 E488 A494 M495 R496 | W456-E492 HydrophobicContact CH2-CB 4.19Å; W456-E492 WeakPolarHBondContact CH2-OE2 3.48Å; E488-E492 PolarHBondContact O-N 3.42Å; E492-A494 VanDerWaalsContact C-N 3.32Å; E492-A494 PolarHBondContact O-N 3.26Å; E492-M495 PolarHBondContact O-N 3.24Å; E492-M495 VanDerWaalsContact O-N 3.12Å; E492-R496 WeakPolarHBondContact O-CG 3.03Å; E492-R496 PolarHBondContact O-N 3.35Å; E492-R496 IonicContact OE2-CZ 2.71Å; E492-R496 IonicContact OE2-NE 3.33Å; E492-R496 IonicContact OE2-NH2 2.71Å; E492-R496 PolarHBondContact OE2-NH2 3.48Å |
| 493 | A | 80.8 | Confident | 74.1 | Confident | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | I429 W456 L471 T489 M495 R496 S497 | I429-A493 HydrophobicContact CD1-CB 3.36Å; I429-A493 HydrophobicContact CG1-CB 4.49Å; W456-A493 HydrophobicContact CZ3-CB 4.33Å; L471-A493 HydrophobicContact CD1-CB 4.21Å; T489-A493 PolarHBondContact O-N 3.49Å; A493-M495 VanDerWaalsContact C-N 3.28Å; A493-M495 PolarHBondContact O-N 3.12Å; A493-R496 PolarHBondContact O-N 3.02Å; A493-S497 PolarHBondContact O-N 2.95Å |
| 494 | A | 80.7 | Confident | 72.1 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.9 | -29.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | T468 L471 K472 L490 E491 E492 | T468-A494 HydrophobicContact CG2-CB 4.08Å; T468-A494 WeakPolarHBondContact CG2-O 3.21Å; L471-A494 HydrophobicContact CB-CB 3.87Å; L471-A494 HydrophobicContact CD1-CB 4.18Å; K472-A494 HydrophobicContact CG-CB 3.8Å; L490-A494 WeakPolarHBondContact O-CB 3.36Å; L490-A494 PolarHBondContact O-N 3.05Å; E491-A494 PolarHBondContact O-N 3.03Å; E492-A494 VanDerWaalsContact C-N 3.32Å; E492-A494 PolarHBondContact O-N 3.26Å |
| 495 | M | 76.4 | Confident | 70.2 | Confident | 115 Ų | 115 | 58.4 Ų | 58.4 | 57% | 0.567 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -76.2 | -37.4 | 174.3 | -72.3 | -71.4 | -79.6 | 0 | 0 | 112.1 | E491 E492 A493 R498 K499 | E491-M495 WeakPolarHBondContact O-CG 3.37Å; E491-M495 PolarHBondContact O-N 3.24Å; E492-M495 PolarHBondContact O-N 3.24Å; E492-M495 VanDerWaalsContact O-N 3.12Å; A493-M495 VanDerWaalsContact C-N 3.28Å; A493-M495 PolarHBondContact O-N 3.12Å; M495-R498 PolarHBondContact O-N 3.25Å; M495-K499 PolarHBondContact O-N 3.38Å |
| 496 | R | 70.4 | Confident | 68.3 | Low | 81 Ų | 81 | 61.9 Ų | 61.9 | 31% | 0.306 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -70.4 | -42.8 | 179.2 | -69.2 | 178.1 | -168.8 | -164.4 | 6.6 | 112.9 | W456 E492 A493 R498 K499 Q500 | W456-R496 VanDerWaalsContact CZ2-CZ 3.44Å; E492-R496 WeakPolarHBondContact O-CG 3.03Å; E492-R496 PolarHBondContact O-N 3.35Å; E492-R496 IonicContact OE2-CZ 2.71Å; E492-R496 IonicContact OE2-NE 3.33Å; E492-R496 IonicContact OE2-NH2 2.71Å; E492-R496 PolarHBondContact OE2-NH2 3.48Å; A493-R496 PolarHBondContact O-N 3.02Å; R496-R498 VanDerWaalsContact C-N 3.29Å; R496-R498 PolarHBondContact O-N 2.97Å; R496-K499 WeakPolarHBondContact O-CB 3.38Å; R496-K499 PolarHBondContact O-N 3.41Å; R496-Q500 PolarHBondContact O-N 3.04Å |
| 497 | S | 61.3 | Low | 66.6 | Low | 7 Ų | 7 | 68.8 Ų | 68.8 | 5% | 0.049 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.1 | -39.5 | 172.4 | 165.7 | 0 | 0 | 0 | 0 | 111.7 | D463 A493 K499 Q500 G501 | D463-S497 PolarHBondContact OD1-OG 3.07Å; A493-S497 PolarHBondContact O-N 2.95Å; S497-K499 VanDerWaalsContact C-N 3.26Å; S497-K499 PolarHBondContact O-N 2.87Å; S497-Q500 PolarHBondContact O-N 3.11Å; S497-G501 PolarHBondContact O-N 2.89Å |
| 498 | R | 57.4 | Low | 64.4 | Low | 144 Ų | 144 | 74.5 Ų | 74.5 | 54% | 0.543 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.1 | -36.7 | 173.7 | 179.6 | -174.9 | -78.1 | -174.5 | -10.9 | 112.5 | M495 R496 L502 | M495-R498 PolarHBondContact O-N 3.25Å; R496-R498 VanDerWaalsContact C-N 3.29Å; R496-R498 PolarHBondContact O-N 2.97Å; R498-L502 WeakPolarHBondContact O-CG 3.49Å; R498-L502 PolarHBondContact O-N 3.23Å |
| 499 | K | 56.8 | Low | 62.5 | Low | 143 Ų | 143 | 77.6 Ų | 77.6 | 62% | 0.622 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -71.8 | -46.7 | 178.7 | -167.5 | 177.1 | 178.5 | -176.9 | 0 | 111.3 | M495 R496 S497 G501 L502 D503 | M495-K499 PolarHBondContact O-N 3.38Å; R496-K499 WeakPolarHBondContact O-CB 3.38Å; R496-K499 PolarHBondContact O-N 3.41Å; S497-K499 VanDerWaalsContact C-N 3.26Å; S497-K499 PolarHBondContact O-N 2.87Å; K499-G501 PolarHBondContact O-N 3.43Å; K499-L502 WeakPolarHBondContact O-CB 3.21Å; K499-L502 PolarHBondContact O-N 3.45Å; K499-L502 VanDerWaalsContact O-N 3.15Å; K499-D503 PolarHBondContact O-N 2.91Å |
| 500 | Q | 53.8 | Low | 60.6 | Low | 73 Ų | 73 | 80.8 Ų | 80.8 | 34% | 0.341 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 176.8 | -70.8 | -177.9 | -6 | 0 | 0 | 112.4 | R496 S497 L502 D503 N504 | R496-Q500 PolarHBondContact O-N 3.04Å; S497-Q500 PolarHBondContact O-N 3.11Å; Q500-L502 VanDerWaalsContact C-N 3.31Å; Q500-L502 PolarHBondContact O-N 3.04Å; Q500-D503 PolarHBondContact O-N 3.36Å; Q500-N504 WeakPolarHBondContact O-CB 3.27Å; Q500-N504 PolarHBondContact O-N 3.32Å; Q500-N504 PolarHBondContact O-ND2 3.38Å |
| 501 | G | 51.3 | Low | 58.8 | Low | 22 Ų | 22 | 83.1 Ų | 83.1 | 23% | 0.227 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62 | -34 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D463 S497 K499 V505 | D463-G501 WeakPolarHBondContact OD2-CA 3.17Å; D463-G501 PolarHBondContact OD2-N 2.89Å; S497-G501 PolarHBondContact O-N 2.89Å; K499-G501 PolarHBondContact O-N 3.43Å; G501-V505 WeakPolarHBondContact O-CB 3.38Å; G501-V505 VanDerWaalsContact O-CG2 3.28Å; G501-V505 WeakPolarHBondContact O-CG2 3.32Å; G501-V505 PolarHBondContact O-N 3.39Å |
| 502 | L | 50.8 | Low | 57 | Low | 113 Ų | 113 | 86.5 Ų | 86.5 | 59% | 0.592 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -68.8 | -43.9 | 172.7 | -73.6 | 167.3 | 0 | 0 | 0 | 111.5 | R498 K499 Q500 N504 V505 H506 | R498-L502 WeakPolarHBondContact O-CG 3.49Å; R498-L502 PolarHBondContact O-N 3.23Å; K499-L502 WeakPolarHBondContact O-CB 3.21Å; K499-L502 PolarHBondContact O-N 3.45Å; K499-L502 VanDerWaalsContact O-N 3.15Å; Q500-L502 VanDerWaalsContact C-N 3.31Å; Q500-L502 PolarHBondContact O-N 3.04Å; L502-N504 VanDerWaalsContact C-N 3.33Å; L502-N504 PolarHBondContact O-N 3.43Å; L502-V505 PolarHBondContact O-N 2.88Å; L502-H506 WeakPolarHBondContact O-CB 3.31Å; L502-H506 PolarHBondContact O-N 2.9Å |
| 503 | D | 48.5 | Very low | 55.3 | Low | 82 Ų | 82 | 88.5 Ų | 88.5 | 44% | 0.439 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 177.6 | -62.1 | -28 | 0 | 0 | 0 | 111.5 | K499 Q500 H506 K507 | K499-D503 PolarHBondContact O-N 2.91Å; Q500-D503 PolarHBondContact O-N 3.36Å; D503-H506 WeakPolarHBondContact O-CB 3.46Å; D503-H506 PolarHBondContact O-N 3.06Å; D503-K507 WeakPolarHBondContact O-CG 3.49Å; D503-K507 PolarHBondContact O-N 3.38Å |
| 504 | N | 48.3 | Very low | 53.4 | Low | 78 Ų | 78 | 94.7 Ų | 94.7 | 42% | 0.417 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.1 | -42.5 | 174.6 | -77.9 | -27.4 | 0 | 0 | 0 | 112.1 | D463 Q500 L502 H506 K507 Q508 | D463-N504 PolarHBondContact OD2-ND2 3.36Å; Q500-N504 WeakPolarHBondContact O-CB 3.27Å; Q500-N504 PolarHBondContact O-N 3.32Å; Q500-N504 PolarHBondContact O-ND2 3.38Å; L502-N504 VanDerWaalsContact C-N 3.33Å; L502-N504 PolarHBondContact O-N 3.43Å; N504-H506 VanDerWaalsContact C-N 3.28Å; N504-H506 PolarHBondContact O-N 3.28Å; N504-K507 PolarHBondContact O-N 2.91Å; N504-Q508 WeakPolarHBondContact O-CB 3.47Å; N504-Q508 PolarHBondContact O-N 3.23Å |
| 505 | V | 49 | Very low | 51.3 | Low | 77 Ų | 77 | 98.9 Ų | 98.9 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -34.4 | 172.3 | 168.1 | 0 | 0 | 0 | 0 | 111.5 | G501 L502 R509 | G501-V505 WeakPolarHBondContact O-CB 3.38Å; G501-V505 VanDerWaalsContact O-CG2 3.28Å; G501-V505 WeakPolarHBondContact O-CG2 3.32Å; G501-V505 PolarHBondContact O-N 3.39Å; L502-V505 PolarHBondContact O-N 2.88Å; V505-R509 WeakPolarHBondContact O-CB 3.5Å; V505-R509 WeakPolarHBondContact O-CG 3.41Å; V505-R509 PolarHBondContact O-N 2.96Å |
| 506 | H | 45.9 | Very low | 49.3 | Very low | 131 Ų | 131 | 101.7 Ų | 101.7 | 61% | 0.606 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.8 | -49 | 173.5 | -135.9 | 82.9 | 0 | 0 | 0 | 111 | L502 D503 N504 Q508 R509 V510 | L502-H506 WeakPolarHBondContact O-CB 3.31Å; L502-H506 PolarHBondContact O-N 2.9Å; D503-H506 WeakPolarHBondContact O-CB 3.46Å; D503-H506 PolarHBondContact O-N 3.06Å; N504-H506 VanDerWaalsContact C-N 3.28Å; N504-H506 PolarHBondContact O-N 3.28Å; H506-Q508 VanDerWaalsContact C-N 3.34Å; H506-Q508 PolarHBondContact O-N 2.89Å; H506-R509 PolarHBondContact O-N 2.97Å; H506-V510 WeakPolarHBondContact O-CG2 3.34Å; H506-V510 PolarHBondContact O-N 2.92Å |
| 507 | K | 49 | Very low | 47.7 | Very low | 145 Ų | 145 | 103.6 Ų | 103.6 | 63% | 0.63 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.2 | -38.2 | 175.1 | -74.3 | 174 | -179.7 | 178.8 | 0 | 113 | D503 N504 V510 A511 | D503-K507 WeakPolarHBondContact O-CG 3.49Å; D503-K507 PolarHBondContact O-N 3.38Å; N504-K507 PolarHBondContact O-N 2.91Å; K507-V510 PolarHBondContact O-N 3.32Å; K507-A511 WeakPolarHBondContact O-CB 3.48Å; K507-A511 PolarHBondContact O-N 3.21Å |
| 508 | Q | 43.2 | Very low | 46.3 | Very low | 119 Ų | 119 | 112.7 Ų | 112.7 | 56% | 0.556 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.3 | -38.9 | 178.5 | -171.2 | 168.2 | -3 | 0 | 0 | 111.7 | N504 H506 V510 A511 E512 | N504-Q508 WeakPolarHBondContact O-CB 3.47Å; N504-Q508 PolarHBondContact O-N 3.23Å; H506-Q508 VanDerWaalsContact C-N 3.34Å; H506-Q508 PolarHBondContact O-N 2.89Å; Q508-V510 VanDerWaalsContact C-N 3.34Å; Q508-A511 PolarHBondContact O-N 2.91Å; Q508-E512 WeakPolarHBondContact O-CB 3.33Å; Q508-E512 WeakPolarHBondContact O-CG 3.48Å; Q508-E512 PolarHBondContact O-N 3.2Å |
| 509 | R | 47 | Very low | 45.1 | Very low | 168 Ų | 168 | 110.2 Ų | 110.2 | 63% | 0.634 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.7 | -38.3 | 169.6 | -77.8 | 179.9 | 171.7 | -170.8 | -2.4 | 112.6 | V505 H506 V513 | V505-R509 WeakPolarHBondContact O-CB 3.5Å; V505-R509 WeakPolarHBondContact O-CG 3.41Å; V505-R509 PolarHBondContact O-N 2.96Å; H506-R509 PolarHBondContact O-N 2.97Å; R509-V513 WeakPolarHBondContact O-CB 3.42Å; R509-V513 VanDerWaalsContact O-CG2 3.24Å; R509-V513 WeakPolarHBondContact O-CG2 3.47Å; R509-V513 PolarHBondContact O-N 3.48Å |
| 510 | V | 46.7 | Very low | 44 | Very low | 75 Ų | 75 | 107 Ų | 107 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.4 | -41.9 | 173.3 | 168.6 | 0 | 0 | 0 | 0 | 110.5 | H506 K507 Q508 V513 L514 | H506-V510 WeakPolarHBondContact O-CG2 3.34Å; H506-V510 PolarHBondContact O-N 2.92Å; K507-V510 PolarHBondContact O-N 3.32Å; Q508-V510 VanDerWaalsContact C-N 3.34Å; V510-V513 PolarHBondContact O-N 3.05Å; V510-L514 HydrophobicContact CG1-CD1 3.67Å; V510-L514 HydrophobicContact CG1-CG 4.37Å; V510-L514 WeakPolarHBondContact O-CB 3.45Å; V510-L514 VanDerWaalsContact O-CG 3.24Å; V510-L514 WeakPolarHBondContact O-CG 3.13Å; V510-L514 PolarHBondContact O-N 3.19Å |
| 511 | A | 48.7 | Very low | 42.9 | Very low | 48 Ų | 48 | 111.2 Ų | 111.2 | 40% | 0.397 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.3 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K507 Q508 V513 L514 S515 | K507-A511 WeakPolarHBondContact O-CB 3.48Å; K507-A511 PolarHBondContact O-N 3.21Å; Q508-A511 PolarHBondContact O-N 2.91Å; A511-V513 PolarHBondContact O-N 3.45Å; A511-L514 CarbonylContact O-C 3.5Å; A511-L514 PolarHBondContact O-N 3.49Å; A511-L514 VanDerWaalsContact O-N 3.14Å; A511-S515 WeakPolarHBondContact O-CB 3.47Å; A511-S515 PolarHBondContact O-N 3.11Å; A511-S515 PolarHBondContact O-OG 3.46Å |
| 512 | E | 46.7 | Very low | 42.1 | Very low | 132 Ų | 132 | 119.2 Ų | 119.2 | 62% | 0.617 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.3 | -29.2 | 173.8 | -75.1 | 174 | 170.4 | 0 | 0 | 112.5 | Q508 | Q508-E512 WeakPolarHBondContact O-CB 3.33Å; Q508-E512 WeakPolarHBondContact O-CG 3.48Å; Q508-E512 PolarHBondContact O-N 3.2Å |
| 513 | V | 48.2 | Very low | 41 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 63% | 0.63 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -82.2 | -22.3 | 174.5 | 169 | 0 | 0 | 0 | 0 | 112.8 | R509 V510 A511 | R509-V513 WeakPolarHBondContact O-CB 3.42Å; R509-V513 VanDerWaalsContact O-CG2 3.24Å; R509-V513 WeakPolarHBondContact O-CG2 3.47Å; R509-V513 PolarHBondContact O-N 3.48Å; V510-V513 PolarHBondContact O-N 3.05Å; A511-V513 PolarHBondContact O-N 3.45Å |
| 514 | L | 41.2 | Very low | 40 | Very low | 131 Ų | 131 | 129.6 Ų | 129.6 | 69% | 0.686 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -95.5 | -7.8 | 176.7 | -69.3 | 171.5 | 0 | 0 | 0 | 113.6 | V510 A511 E516 | V510-L514 HydrophobicContact CG1-CD1 3.67Å; V510-L514 HydrophobicContact CG1-CG 4.37Å; V510-L514 WeakPolarHBondContact O-CB 3.45Å; V510-L514 VanDerWaalsContact O-CG 3.24Å; V510-L514 WeakPolarHBondContact O-CG 3.13Å; V510-L514 PolarHBondContact O-N 3.19Å; A511-L514 CarbonylContact O-C 3.5Å; A511-L514 PolarHBondContact O-N 3.49Å; A511-L514 VanDerWaalsContact O-N 3.14Å; L514-E516 PolarHBondContact O-N 3.13Å; L514-E516 VanDerWaalsContact O-N 3.14Å |
| 515 | S | 36.5 | Very low | 39.2 | Very low | 89 Ų | 89 | 131.5 Ų | 131.5 | 62% | 0.622 | 70% | 0.695 | S | S | * | * | trans | -81.3 | 85.4 | 175.8 | -60.4 | 0 | 0 | 0 | 0 | 110 | A511 | A511-S515 WeakPolarHBondContact O-CB 3.47Å; A511-S515 PolarHBondContact O-N 3.11Å; A511-S515 PolarHBondContact O-OG 3.46Å | ||
| 516 | E | 35.8 | Very low | 38.1 | Very low | 173 Ų | 173 | 138.1 Ų | 138.1 | 81% | 0.808 | 71% | 0.712 | S | S | * | * | trans | -63 | 148 | 165.5 | -68.8 | -159.7 | 148.3 | 0 | 0 | 110.5 | L514 E518 | L514-E516 PolarHBondContact O-N 3.13Å; L514-E516 VanDerWaalsContact O-N 3.14Å; E516-E518 PolarHBondContact O-N 3.17Å; E516-E518 VanDerWaalsContact O-N 3.16Å | ||
| 517 | P | 36.6 | Very low | 37.2 | Very low | 122 Ų | 122 | 138.6 Ų | 138.6 | 79% | 0.792 | 72% | 0.715 | S | S | * | * | trans | -69.5 | 113.1 | 175.2 | 29 | -32.6 | 0 | 0 | 0 | 109.1 | A519 | P517-A519 PolarHBondContact O-N 3.1Š| ||
| 518 | E | 32 | Very low | 36.2 | Very low | 197 Ų | 197 | 137.2 Ų | 137.2 | 92% | 0.921 | 72% | 0.723 | S | S | * | * | trans | -54.9 | 113.1 | 177 | -75.3 | -170 | 147 | 0 | 0 | 110.6 | E516 G520 | E516-E518 PolarHBondContact O-N 3.17Å; E516-E518 VanDerWaalsContact O-N 3.16Å; E518-G520 PolarHBondContact O-N 3.47Å | ||
| 519 | A | 32.1 | Very low | 35.6 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -66.4 | 117 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | P517 D521 | P517-A519 PolarHBondContact O-N 3.1Å; A519-D521 PolarHBondContact O-N 3.48Å | ||
| 520 | G | 33.4 | Very low | 34.7 | Very low | 76 Ų | 76 | 138.5 Ų | 138.5 | 78% | 0.784 | 75% | 0.751 | S | S | * | * | trans | -62.4 | 104.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E518 K522 | E518-G520 PolarHBondContact O-N 3.47Å; G520-K522 PolarHBondContact O-N 3.29Å | ||
| 521 | D | 30.3 | Very low | 33.8 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | -79 | 120.5 | -172.3 | -149.5 | -9 | 0 | 0 | 0 | 111.8 | A519 H523 | A519-D521 PolarHBondContact O-N 3.48Å; D521-H523 PolarHBondContact O-N 3.29Å; D521-H523 VanDerWaalsContact O-N 3.11Å | ||
| 522 | K | 33.6 | Very low | 32.8 | Very low | 189 Ų | 189 | 145.3 Ų | 145.3 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -86.1 | 79.7 | -174.3 | -75.3 | 176.1 | 178 | 166.5 | 0 | 110.1 | G520 R524 | G520-K522 PolarHBondContact O-N 3.29Å; K522-R524 VanDerWaalsContact C-N 3.3Å; K522-R524 PolarHBondContact O-N 3.01Å | ||
| 523 | H | 27.6 | Very low | 32 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -74.1 | 86.5 | 168.6 | -130.4 | -22 | 0 | 0 | 0 | 111.1 | D521 S525 | D521-H523 PolarHBondContact O-N 3.29Å; D521-H523 VanDerWaalsContact O-N 3.11Å; H523-S525 PolarHBondContact O-N 2.92Å | ||
| 524 | R | 28.2 | Very low | 31.2 | Very low | 228 Ų | 228 | 146.2 Ų | 146.2 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -67.5 | 117.1 | 164.8 | -85.9 | -178.7 | 165.6 | 177.8 | -4.4 | 109.2 | K522 | K522-R524 VanDerWaalsContact C-N 3.3Å; K522-R524 PolarHBondContact O-N 3.01Å | ||
| 525 | S | 30.6 | Very low | 30.5 | Very low | 119 Ų | 119 | 148.9 Ų | 148.9 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -84.7 | 108.9 | 170.9 | -50.2 | 0 | 0 | 0 | 0 | 111.4 | H523 | H523-S525 PolarHBondContact O-N 2.92Š| ||
| 526 | R | 27.6 | Very low | 30.2 | Very low | 216 Ų | 216 | 154.7 Ų | 154.7 | 82% | 0.815 | 82% | 0.817 | S | S | * | * | trans | -168.9 | 131.6 | 162.1 | -104.5 | -178.9 | 81.6 | 155.7 | 3.2 | 105.2 | ||||
| 527 | E | 27.2 | Very low | 29.9 | Very low | 141 Ų | 141 | 154.9 Ų | 154.9 | 66% | 0.659 | 82% | 0.818 | S | S | * | * | cis | -135 | 155.1 | 8.7 | -81.6 | 141.7 | -176.4 | 0 | 0 | 109.1 | ||||
| 528 | S | 27.1 | Very low | 29.7 | Very low | 116 Ų | 116 | 154.6 Ų | 154.6 | 81% | 0.811 | 82% | 0.819 | S | S | * | * | -166.7 | 123.3 | 96 | 24 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 529 | L | 31.1 | Very low | 29.8 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -97.7 | 116.2 | 160.6 | -80 | 162.6 | 0 | 0 | 0 | 107.8 | ||||
| 530 | T | 27.5 | Very low | 30.3 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -161.7 | 151.2 | 151.1 | 29.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 531 | S | 27.9 | Very low | 30.4 | Very low | 109 Ų | 109 | 155.1 Ų | 155.1 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | trans | 83.3 | 93.2 | 171.6 | -153.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 532 | D | 28.6 | Very low | 30.5 | Very low | 157 Ų | 157 | 150.6 Ų | 150.6 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -46.6 | 141.7 | 157.2 | -59.7 | -78.5 | 0 | 0 | 0 | 112.4 | ||||
| 533 | T | 30 | Very low | 30.4 | Very low | 138 Ų | 138 | 145 Ų | 145 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -119.2 | 124.3 | 159 | -50.1 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 534 | V | 29.7 | Very low | 30.8 | Very low | 116 Ų | 116 | 144.9 Ų | 144.9 | 70% | 0.703 | 81% | 0.808 | S | S | * | * | trans | -64.6 | 129.2 | -170.3 | 176.6 | 0 | 0 | 0 | 0 | 111.9 | Y536 | V534-Y536 HydrophobicContact CG1-CD2 4.22Å; V534-Y536 PolarHBondContact O-N 3.35Å | ||
| 535 | K | 28 | Very low | 31.4 | Very low | 188 Ų | 188 | 143 Ų | 143 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | trans | -66.9 | 111.8 | 162.2 | -84.5 | -175.2 | 172.1 | -175.4 | 0 | 109.3 | ||||
| 536 | Y | 30 | Very low | 31.8 | Very low | 211 Ų | 211 | 146.1 Ų | 146.1 | 83% | 0.827 | 84% | 0.841 | S | S | * | * | trans | -90.8 | 115.1 | 155.3 | -106.7 | -92.4 | 0 | 0 | 0 | 108.4 | V534 | V534-Y536 HydrophobicContact CG1-CD2 4.22Å; V534-Y536 PolarHBondContact O-N 3.35Å | ||
| 537 | E | 29.3 | Very low | 32 | Very low | 176 Ų | 176 | 142.6 Ų | 142.6 | 82% | 0.822 | 84% | 0.842 | S | S | * | * | trans | -76.8 | 128.4 | 165.4 | -66 | -177 | 152.7 | 0 | 0 | 108.5 | ||||
| 538 | S | 31.8 | Very low | 32.3 | Very low | 117 Ų | 117 | 142.7 Ų | 142.7 | 82% | 0.818 | 85% | 0.852 | S | S | * | * | trans | -114 | 108.1 | 167.4 | -64.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 539 | G | 34.1 | Very low | 32.6 | Very low | 67 Ų | 67 | 144.2 Ų | 144.2 | 69% | 0.691 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 167 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 540 | P | 42.4 | Very low | 32.6 | Very low | 136 Ų | 136 | 142.4 Ų | 142.4 | 88% | 0.883 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 158.8 | 179.6 | 33.6 | -35.3 | 0 | 0 | 0 | 112.7 | ||
| 541 | D | 36 | Very low | 33 | Very low | 173 Ų | 173 | 142.6 Ų | 142.6 | 93% | 0.925 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 155.7 | 179.9 | -173.7 | 22.5 | 0 | 0 | 0 | 113.1 | ||
| 542 | G | 32.3 | Very low | 33.3 | Very low | 67 Ų | 67 | 144.8 Ų | 144.8 | 69% | 0.691 | 86% | 0.856 | S | S | * | * | trans | 125.8 | 100 | 160.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 543 | G | 30.9 | Very low | 33.6 | Very low | 71 Ų | 71 | 143.9 Ų | 143.9 | 73% | 0.732 | 86% | 0.858 | S | S | * | * | 95.2 | 116.2 | 119.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 544 | E | 35.9 | Very low | 33.9 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 86% | 0.855 | 86% | 0.859 | S | S | * | * | trans | 56.3 | 108.8 | 133.2 | -66.9 | 173.3 | 175.2 | 0 | 0 | 119.6 | ||||
| 545 | E | 40.8 | Very low | 34.3 | Very low | 189 Ų | 189 | 146.8 Ų | 146.8 | 88% | 0.883 | 87% | 0.871 | S | S | * | * | 74 | 96.1 | 90.3 | -76.2 | -158.6 | 167.7 | 0 | 0 | 115.7 | |||||
| 546 | A | 39.6 | Very low | 34.8 | Very low | 183 Ų | 183 | 143 Ų | 143 | 100% | 1.512 | 88% | 0.876 | S | S | * | * | trans | 172.4 | 0 | 131.9 | 0 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 546 of 546 residues in 601.6 ms
(Link to these results)