| 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 | 53 | Low | 71.7 | Confident | 223 Ų | 223 | 115.2 Ų | 115.2 | 100% | 1.099 | 65% | 0.649 | S | S | * | * | 0 | 61.7 | 0 | -173.7 | 154.8 | 94.4 | 0 | 0 | 106.3 | |||||
| 2 | D | 54.1 | Low | 72.9 | Confident | 135 Ų | 135 | 113.3 Ų | 113.3 | 72% | 0.722 | 63% | 0.628 | S | S | * | * | trans | -139.5 | 22.7 | -157.6 | -49.7 | -69.3 | 0 | 0 | 0 | 113.1 | ||||
| 3 | S | 60.5 | Low | 74 | Confident | 109 Ų | 109 | 109.5 Ų | 109.5 | 76% | 0.762 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -89.1 | -2.6 | -177.3 | -153.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 4 | F | 60.6 | Low | 75.2 | Confident | 142 Ų | 142 | 111.1 Ų | 111.1 | 62% | 0.623 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -98.4 | -11.3 | -175.1 | -75.7 | -83.8 | 0 | 0 | 0 | 114.4 | N6 L7 K12 A15 | F4-N6 PolarHBondContact O-N 2.85Å; F4-L7 HydrophobicContact CB-CD1 4.22Å; F4-L7 HydrophobicContact CD1-CD1 3.48Å; F4-L7 VanDerWaalsContact CD1-CD1 3.48Å; F4-L7 HydrophobicContact CE1-CD1 4.24Å; F4-L7 HydrophobicContact CG-CD1 4.22Å; F4-K12 WeakPolarHBondContact O-CE 3.29Å; F4-A15 HydrophobicContact CE1-CB 4.4Å |
| 5 | D | 68.2 | Low | 76.2 | Confident | 129 Ų | 129 | 105.7 Ų | 105.7 | 69% | 0.69 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -25.6 | -173.8 | -87.6 | -39.5 | 0 | 0 | 0 | 113.9 | L7 K12 | D5-L7 PolarHBondContact O-N 3.06Å; D5-K12 PolarHBondContact O-NZ 3.33Å |
| 6 | N | 74.6 | Confident | 77.1 | Confident | 166 Ų | 166 | 102.6 Ų | 102.6 | 89% | 0.888 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 12.2 | -177.1 | -153.4 | 15.6 | 0 | 0 | 0 | 114.6 | F4 | F4-N6 PolarHBondContact O-N 2.85Š|
| 7 | L | 75.3 | Confident | 78.1 | Confident | 51 Ų | 51 | 101.9 Ų | 101.9 | 27% | 0.267 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -84.6 | 142.3 | 177.7 | -70.6 | 157.5 | 0 | 0 | 0 | 110.9 | F4 D5 E11 K12 | F4-L7 HydrophobicContact CB-CD1 4.22Å; F4-L7 HydrophobicContact CD1-CD1 3.48Å; F4-L7 VanDerWaalsContact CD1-CD1 3.48Å; F4-L7 HydrophobicContact CE1-CD1 4.24Å; F4-L7 HydrophobicContact CG-CD1 4.22Å; D5-L7 PolarHBondContact O-N 3.06Å; L7-E11 HydrophobicContact CB-CB 4.01Å; L7-E11 HydrophobicContact CD2-CB 3.7Å; L7-E11 HydrophobicContact CD2-CG 4.23Å; L7-E11 HydrophobicContact CG-CB 4.39Å; L7-K12 HydrophobicContact CB-CG 3.84Å; L7-K12 VanDerWaalsContact O-CE 3.25Å; L7-K12 WeakPolarHBondContact O-CE 3.35Å |
| 8 | S | 85.6 | Confident | 79 | Confident | 58 Ų | 58 | 101.4 Ų | 101.4 | 41% | 0.406 | 57% | 0.569 | S | S | . | * | trans | -61 | 158.6 | 169.5 | 69.8 | 0 | 0 | 0 | 0 | 111.1 | S10 E11 K12 | S8-S10 PolarHBondContact O-N 3.27Å; S8-S10 VanDerWaalsContact O-N 3.16Å; S8-E11 VanDerWaalsContact CB-OE2 3.23Å; S8-E11 WeakPolarHBondContact CB-OE2 3.47Å; S8-E11 PolarHBondContact N-OE2 3.45Å; S8-E11 PolarHBondContact O-N 3.38Å; S8-E11 VanDerWaalsContact O-N 3.12Å; S8-E11 WeakPolarHBondContact OG-CG 3.37Å; S8-E11 PolarHBondContact OG-N 3.02Å; S8-E11 PolarHBondContact OG-OE2 3.37Å; S8-K12 PolarHBondContact O-N 3.49Å | ||
| 9 | A | 84.1 | Confident | 79.8 | Confident | 88 Ų | 88 | 103.6 Ų | 103.6 | 73% | 0.727 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -57.2 | -31.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A13 | A9-A13 PolarHBondContact O-N 3.35Å |
| 10 | S | 85.6 | Confident | 80.6 | Confident | 79 Ų | 79 | 103.9 Ų | 103.9 | 55% | 0.552 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67 | -48.6 | 175.7 | -166.6 | 0 | 0 | 0 | 0 | 111.5 | S8 K12 A13 E14 | S8-S10 PolarHBondContact O-N 3.27Å; S8-S10 VanDerWaalsContact O-N 3.16Å; S10-K12 VanDerWaalsContact C-N 3.31Å; S10-K12 PolarHBondContact O-N 2.97Å; S10-A13 WeakPolarHBondContact O-CB 3.5Å; S10-A13 PolarHBondContact O-N 3.08Å; S10-A13 VanDerWaalsContact O-N 3.1Å; S10-E14 PolarHBondContact O-N 3.37Å |
| 11 | E | 86.9 | Confident | 81.4 | Confident | 87 Ų | 87 | 103.5 Ų | 103.5 | 41% | 0.407 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.9 | -33.7 | -179.8 | -67.8 | 162.1 | 124.3 | 0 | 0 | 112 | L7 S8 A13 E14 A15 | L7-E11 HydrophobicContact CB-CB 4.01Å; L7-E11 HydrophobicContact CD2-CB 3.7Å; L7-E11 HydrophobicContact CD2-CG 4.23Å; L7-E11 HydrophobicContact CG-CB 4.39Å; S8-E11 VanDerWaalsContact CB-OE2 3.23Å; S8-E11 WeakPolarHBondContact CB-OE2 3.47Å; S8-E11 PolarHBondContact N-OE2 3.45Å; S8-E11 PolarHBondContact O-N 3.38Å; S8-E11 VanDerWaalsContact O-N 3.12Å; S8-E11 WeakPolarHBondContact OG-CG 3.37Å; S8-E11 PolarHBondContact OG-N 3.02Å; S8-E11 PolarHBondContact OG-OE2 3.37Å; E11-A13 VanDerWaalsContact C-N 3.34Å; E11-E14 PolarHBondContact O-N 3.4Å; E11-A15 VanDerWaalsContact O-CB 3.27Å; E11-A15 WeakPolarHBondContact O-CB 3.19Å; E11-A15 PolarHBondContact O-N 3.17Å |
| 12 | K | 86.1 | Confident | 83.5 | Confident | 92 Ų | 92 | 96.6 Ų | 96.6 | 40% | 0.4 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65 | -38 | 172.6 | -69.7 | -177.8 | -179.5 | 179.1 | 0 | 111.9 | F4 D5 L7 S8 S10 S16 | F4-K12 WeakPolarHBondContact O-CE 3.29Å; D5-K12 PolarHBondContact O-NZ 3.33Å; L7-K12 HydrophobicContact CB-CG 3.84Å; L7-K12 VanDerWaalsContact O-CE 3.25Å; L7-K12 WeakPolarHBondContact O-CE 3.35Å; S8-K12 PolarHBondContact O-N 3.49Å; S10-K12 VanDerWaalsContact C-N 3.31Å; S10-K12 PolarHBondContact O-N 2.97Å; K12-S16 WeakPolarHBondContact O-CB 3.45Å; K12-S16 PolarHBondContact O-N 3.42Å |
| 13 | A | 87.1 | Confident | 85.5 | Confident | 64 Ų | 64 | 92.3 Ų | 92.3 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.1 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A9 S10 E11 S16 E17 | A9-A13 PolarHBondContact O-N 3.35Å; S10-A13 WeakPolarHBondContact O-CB 3.5Å; S10-A13 PolarHBondContact O-N 3.08Å; S10-A13 VanDerWaalsContact O-N 3.1Å; E11-A13 VanDerWaalsContact C-N 3.34Å; A13-S16 PolarHBondContact O-N 3.49Å; A13-E17 PolarHBondContact O-N 2.9Å |
| 14 | E | 90.8 | Very high | 87.3 | Confident | 132 Ų | 132 | 92 Ų | 92 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.8 | -42.3 | 175.6 | -69.3 | -178.2 | 135.2 | 0 | 0 | 112.3 | S10 E11 S16 E17 L18 | S10-E14 PolarHBondContact O-N 3.37Å; E11-E14 PolarHBondContact O-N 3.4Å; E14-S16 VanDerWaalsContact C-N 3.34Å; E14-S16 PolarHBondContact O-N 3.36Å; E14-E17 PolarHBondContact O-N 3.29Å; E14-L18 WeakPolarHBondContact O-CB 3.41Å; E14-L18 PolarHBondContact O-N 3.01Å |
| 15 | A | 90.8 | Very high | 89 | Confident | 30 Ų | 30 | 90.4 Ų | 90.4 | 25% | 0.248 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -62.4 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | F4 E11 L18 Q19 | F4-A15 HydrophobicContact CE1-CB 4.4Å; E11-A15 VanDerWaalsContact O-CB 3.27Å; E11-A15 WeakPolarHBondContact O-CB 3.19Å; E11-A15 PolarHBondContact O-N 3.17Å; A15-L18 PolarHBondContact O-N 3.06Å; A15-Q19 WeakPolarHBondContact O-CB 3.31Å; A15-Q19 PolarHBondContact O-N 3.35Å |
| 16 | S | 91.1 | Very high | 90.4 | Very high | 56 Ų | 56 | 89.7 Ų | 89.7 | 39% | 0.392 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62 | -43 | 174.8 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | K12 A13 E14 Q19 K20 | K12-S16 WeakPolarHBondContact O-CB 3.45Å; K12-S16 PolarHBondContact O-N 3.42Å; A13-S16 PolarHBondContact O-N 3.49Å; E14-S16 VanDerWaalsContact C-N 3.34Å; E14-S16 PolarHBondContact O-N 3.36Å; S16-Q19 PolarHBondContact O-N 3.46Å; S16-K20 WeakPolarHBondContact O-CG 3.34Å; S16-K20 PolarHBondContact O-N 2.84Å; S16-K20 VanDerWaalsContact O-N 3.11Å |
| 17 | E | 93.3 | Very high | 91.6 | Very high | 92 Ų | 92 | 88.2 Ų | 88.2 | 43% | 0.43 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 177.8 | -168.9 | 56.2 | -153.4 | 0 | 0 | 112.2 | A13 E14 Q19 K20 M21 | A13-E17 PolarHBondContact O-N 2.9Å; E14-E17 PolarHBondContact O-N 3.29Å; E17-Q19 VanDerWaalsContact C-N 3.3Å; E17-Q19 PolarHBondContact O-N 2.9Å; E17-K20 WeakPolarHBondContact O-CB 3.25Å; E17-K20 PolarHBondContact O-N 3.08Å; E17-K20 IonicContact OE2-NZ 2.84Å; E17-K20 PolarHBondContact OE2-NZ 2.91Å; E17-M21 WeakPolarHBondContact O-CG 3.45Å; E17-M21 PolarHBondContact O-N 2.75Å |
| 18 | L | 94.4 | Very high | 92.7 | Very high | 92 Ų | 92 | 91.3 Ų | 91.3 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 173.2 | 179.1 | 60.2 | 0 | 0 | 0 | 111.8 | E14 A15 K20 M21 I22 | E14-L18 WeakPolarHBondContact O-CB 3.41Å; E14-L18 PolarHBondContact O-N 3.01Å; A15-L18 PolarHBondContact O-N 3.06Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 3.37Å; L18-M21 HydrophobicContact CB-CE 4.39Å; L18-M21 HydrophobicContact CD1-CE 3.96Å; L18-M21 PolarHBondContact O-N 2.66Å; L18-I22 HydrophobicContact CD1-CD1 4.15Å; L18-I22 HydrophobicContact CD1-CG1 4.26Å; L18-I22 HydrophobicContact CG-CD1 3.91Å; L18-I22 HydrophobicContact CG-CG1 4.45Å; L18-I22 VanDerWaalsContact O-CG1 3.31Å; L18-I22 WeakPolarHBondContact O-CG1 3.37Å; L18-I22 PolarHBondContact O-N 2.91Å |
| 19 | Q | 94.4 | Very high | 93.3 | Very high | 144 Ų | 144 | 91.4 Ų | 91.4 | 67% | 0.673 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.2 | -38.3 | 177.6 | -171.7 | 174.5 | -1.9 | 0 | 0 | 111.9 | A15 S16 E17 I22 A23 | A15-Q19 WeakPolarHBondContact O-CB 3.31Å; A15-Q19 PolarHBondContact O-N 3.35Å; S16-Q19 PolarHBondContact O-N 3.46Å; E17-Q19 VanDerWaalsContact C-N 3.3Å; E17-Q19 PolarHBondContact O-N 2.9Å; Q19-I22 PolarHBondContact O-N 3.45Å; Q19-A23 WeakPolarHBondContact O-CB 3.43Å; Q19-A23 PolarHBondContact O-N 3.1Å |
| 20 | K | 95.8 | Very high | 93.9 | Very high | 108 Ų | 108 | 93.7 Ų | 93.7 | 47% | 0.47 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 173.4 | -66.1 | 177.5 | -149.3 | 151.5 | 0 | 111.8 | S16 E17 L18 I22 A23 I24 | S16-K20 WeakPolarHBondContact O-CG 3.34Å; S16-K20 PolarHBondContact O-N 2.84Å; S16-K20 VanDerWaalsContact O-N 3.11Å; E17-K20 WeakPolarHBondContact O-CB 3.25Å; E17-K20 PolarHBondContact O-N 3.08Å; E17-K20 IonicContact OE2-NZ 2.84Å; E17-K20 PolarHBondContact OE2-NZ 2.91Å; L18-K20 VanDerWaalsContact C-N 3.3Å; L18-K20 PolarHBondContact O-N 3.37Å; K20-I22 VanDerWaalsContact C-N 3.32Å; K20-I22 PolarHBondContact O-N 3.06Å; K20-A23 PolarHBondContact O-N 3.19Å; K20-I24 WeakPolarHBondContact O-CG1 3.23Å; K20-I24 PolarHBondContact O-N 3.47Å |
| 21 | M | 96.6 | Very high | 94.5 | Very high | 97 Ų | 97 | 96.1 Ų | 96.1 | 48% | 0.478 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.6 | -44.7 | 177.1 | -69.3 | -168.7 | -69.8 | 0 | 0 | 111.3 | E17 L18 A23 I24 E25 | E17-M21 WeakPolarHBondContact O-CG 3.45Å; E17-M21 PolarHBondContact O-N 2.75Å; L18-M21 HydrophobicContact CB-CE 4.39Å; L18-M21 HydrophobicContact CD1-CE 3.96Å; L18-M21 PolarHBondContact O-N 2.66Å; M21-A23 VanDerWaalsContact C-N 3.33Å; M21-A23 PolarHBondContact O-N 2.89Å; M21-I24 PolarHBondContact O-N 3.37Å; M21-E25 WeakPolarHBondContact O-CG 3.27Å; M21-E25 PolarHBondContact O-N 3.03Å |
| 22 | I | 97.4 | Very high | 95 | Very high | 78 Ų | 78 | 96 Ų | 96 | 40% | 0.4 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 175.9 | -69.6 | 168.1 | 0 | 0 | 0 | 110.8 | L18 Q19 K20 I24 E25 Q26 | L18-I22 HydrophobicContact CD1-CD1 4.15Å; L18-I22 HydrophobicContact CD1-CG1 4.26Å; L18-I22 HydrophobicContact CG-CD1 3.91Å; L18-I22 HydrophobicContact CG-CG1 4.45Å; L18-I22 VanDerWaalsContact O-CG1 3.31Å; L18-I22 WeakPolarHBondContact O-CG1 3.37Å; L18-I22 PolarHBondContact O-N 2.91Å; Q19-I22 PolarHBondContact O-N 3.45Å; K20-I22 VanDerWaalsContact C-N 3.32Å; K20-I22 PolarHBondContact O-N 3.06Å; I22-I24 VanDerWaalsContact C-N 3.34Å; I22-I24 PolarHBondContact O-N 3.46Å; I22-E25 PolarHBondContact O-N 3.39Å; I22-Q26 HydrophobicContact CG2-CG 4.24Å; I22-Q26 WeakPolarHBondContact O-CB 3.4Å; I22-Q26 VanDerWaalsContact O-CG 3.25Å; I22-Q26 WeakPolarHBondContact O-CG 3.3Å; I22-Q26 PolarHBondContact O-N 3.38Å |
| 23 | A | 96.6 | Very high | 95.6 | Very high | 45 Ų | 45 | 94.4 Ų | 94.4 | 37% | 0.372 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q19 K20 M21 Q26 Q27 | Q19-A23 WeakPolarHBondContact O-CB 3.43Å; Q19-A23 PolarHBondContact O-N 3.1Å; K20-A23 PolarHBondContact O-N 3.19Å; M21-A23 VanDerWaalsContact C-N 3.33Å; M21-A23 PolarHBondContact O-N 2.89Å; A23-Q26 PolarHBondContact O-N 3.12Å; A23-Q27 WeakPolarHBondContact O-CG 3.3Å; A23-Q27 PolarHBondContact O-N 3.44Å |
| 24 | I | 97.6 | Very high | 96.1 | Very high | 103 Ų | 103 | 95.3 Ų | 95.3 | 53% | 0.528 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.4 | -47.7 | 176.6 | -67.9 | 165.4 | 0 | 0 | 0 | 110.8 | K20 M21 I22 Q26 Q27 K28 | K20-I24 WeakPolarHBondContact O-CG1 3.23Å; K20-I24 PolarHBondContact O-N 3.47Å; M21-I24 PolarHBondContact O-N 3.37Å; I22-I24 VanDerWaalsContact C-N 3.34Å; I22-I24 PolarHBondContact O-N 3.46Å; I24-Q26 VanDerWaalsContact C-N 3.31Å; I24-Q26 PolarHBondContact O-N 3.16Å; I24-Q27 PolarHBondContact O-N 3.48Å; I24-K28 PolarHBondContact O-N 2.93Å |
| 25 | E | 97.8 | Very high | 96.5 | Very high | 108 Ų | 108 | 91.3 Ų | 91.3 | 51% | 0.505 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 179.4 | -69.7 | -58 | 152.3 | 0 | 0 | 112 | M21 I22 K28 A29 | M21-E25 WeakPolarHBondContact O-CG 3.27Å; M21-E25 PolarHBondContact O-N 3.03Å; I22-E25 PolarHBondContact O-N 3.39Å; E25-K28 PolarHBondContact O-N 3.28Å; E25-K28 IonicContact OE2-NZ 3.95Å; E25-A29 WeakPolarHBondContact O-CB 3.32Å; E25-A29 PolarHBondContact O-N 3.4Å |
| 26 | Q | 97.8 | Very high | 96.8 | Very high | 114 Ų | 114 | 95.3 Ų | 95.3 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.9 | -45.7 | 172.5 | -77.2 | 176.6 | -4.7 | 0 | 0 | 112.1 | I22 A23 I24 K28 A29 Q30 | I22-Q26 HydrophobicContact CG2-CG 4.24Å; I22-Q26 WeakPolarHBondContact O-CB 3.4Å; I22-Q26 VanDerWaalsContact O-CG 3.25Å; I22-Q26 WeakPolarHBondContact O-CG 3.3Å; I22-Q26 PolarHBondContact O-N 3.38Å; A23-Q26 PolarHBondContact O-N 3.12Å; I24-Q26 VanDerWaalsContact C-N 3.31Å; I24-Q26 PolarHBondContact O-N 3.16Å; Q26-K28 VanDerWaalsContact C-N 3.31Å; Q26-K28 PolarHBondContact O-N 2.75Å; Q26-A29 PolarHBondContact O-N 2.92Å; Q26-Q30 VanDerWaalsContact O-CG 3.32Å; Q26-Q30 WeakPolarHBondContact O-CG 3.26Å; Q26-Q30 PolarHBondContact O-N 3.48Å |
| 27 | Q | 97.9 | Very high | 97.2 | Very high | 134 Ų | 134 | 95 Ų | 95 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.6 | -42.5 | 175.9 | -75.6 | -179.5 | -17.7 | 0 | 0 | 111.6 | A23 I24 Q30 F31 | A23-Q27 WeakPolarHBondContact O-CG 3.3Å; A23-Q27 PolarHBondContact O-N 3.44Å; I24-Q27 PolarHBondContact O-N 3.48Å; Q27-Q30 PolarHBondContact O-N 2.97Å; Q27-F31 PolarHBondContact O-N 3.47Å |
| 28 | K | 98.3 | Very high | 97.4 | Very high | 116 Ų | 116 | 92 Ų | 92 | 50% | 0.504 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 175.9 | -176.7 | -179.6 | 172.3 | -169.1 | 0 | 111.5 | I24 E25 Q26 Q30 F31 Q32 | I24-K28 PolarHBondContact O-N 2.93Å; E25-K28 PolarHBondContact O-N 3.28Å; E25-K28 IonicContact OE2-NZ 3.95Å; Q26-K28 VanDerWaalsContact C-N 3.31Å; Q26-K28 PolarHBondContact O-N 2.75Å; K28-Q30 VanDerWaalsContact C-N 3.35Å; K28-Q30 PolarHBondContact O-N 3.29Å; K28-F31 PolarHBondContact O-N 3.4Å; K28-Q32 VanDerWaalsContact O-CG 3.31Å; K28-Q32 WeakPolarHBondContact O-CG 3.36Å; K28-Q32 PolarHBondContact O-N 2.94Å |
| 29 | A | 98.3 | Very high | 97.6 | Very high | 61 Ų | 61 | 91 Ų | 91 | 50% | 0.504 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | E25 Q26 Q32 A33 | E25-A29 WeakPolarHBondContact O-CB 3.32Å; E25-A29 PolarHBondContact O-N 3.4Å; Q26-A29 PolarHBondContact O-N 2.92Å; A29-Q32 PolarHBondContact O-N 3.24Å; A29-A33 WeakPolarHBondContact O-CB 3.48Å; A29-A33 PolarHBondContact O-N 3.02Å |
| 30 | Q | 97.9 | Very high | 97.7 | Very high | 136 Ų | 136 | 89.1 Ų | 89.1 | 64% | 0.636 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | 174.9 | -72.6 | 173 | 1.9 | 0 | 0 | 111.8 | Q26 Q27 K28 A33 Q34 | Q26-Q30 VanDerWaalsContact O-CG 3.32Å; Q26-Q30 WeakPolarHBondContact O-CG 3.26Å; Q26-Q30 PolarHBondContact O-N 3.48Å; Q27-Q30 PolarHBondContact O-N 2.97Å; K28-Q30 VanDerWaalsContact C-N 3.35Å; K28-Q30 PolarHBondContact O-N 3.29Å; Q30-A33 PolarHBondContact O-N 3.34Å; Q30-Q34 PolarHBondContact O-N 3.02Å |
| 31 | F | 97.6 | Very high | 97.8 | Very high | 130 Ų | 130 | 86.2 Ų | 86.2 | 57% | 0.57 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -60.8 | -45.7 | 175.8 | 175.1 | -99.3 | 0 | 0 | 0 | 111.8 | Q27 K28 A33 Q34 V35 | Q27-F31 PolarHBondContact O-N 3.47Å; K28-F31 PolarHBondContact O-N 3.4Å; F31-A33 VanDerWaalsContact C-N 3.35Å; F31-A33 PolarHBondContact O-N 3.28Å; F31-Q34 WeakPolarHBondContact O-CB 3.38Å; F31-Q34 PolarHBondContact O-N 3.45Å; F31-Q34 VanDerWaalsContact O-N 3.13Å; F31-V35 HydrophobicContact CD1-CG2 4.18Å; F31-V35 HydrophobicContact CE1-CG2 3.69Å; F31-V35 HydrophobicContact CE2-CG2 4.21Å; F31-V35 HydrophobicContact CZ-CG2 3.71Å; F31-V35 WeakPolarHBondContact O-CG2 3.31Å; F31-V35 PolarHBondContact O-N 3.42Å |
| 32 | Q | 98.4 | Very high | 97.9 | Very high | 83 Ų | 83 | 81.7 Ų | 81.7 | 39% | 0.388 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 177.6 | -67.9 | -60.3 | -30.5 | 0 | 0 | 111.9 | K28 A29 Q34 V35 H36 | K28-Q32 VanDerWaalsContact O-CG 3.31Å; K28-Q32 WeakPolarHBondContact O-CG 3.36Å; K28-Q32 PolarHBondContact O-N 2.94Å; A29-Q32 PolarHBondContact O-N 3.24Å; Q32-Q34 VanDerWaalsContact C-N 3.26Å; Q32-Q34 PolarHBondContact O-N 2.87Å; Q32-V35 PolarHBondContact O-N 3.46Å; Q32-H36 PolarHBondContact O-CD2 3.36Å; Q32-H36 PolarHBondContact O-N 3.19Å |
| 33 | A | 98.3 | Very high | 97.9 | Very high | 60 Ų | 60 | 83.7 Ų | 83.7 | 50% | 0.496 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.2 | -38.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A29 Q30 F31 H36 S37 | A29-A33 WeakPolarHBondContact O-CB 3.48Å; A29-A33 PolarHBondContact O-N 3.02Å; Q30-A33 PolarHBondContact O-N 3.34Å; F31-A33 VanDerWaalsContact C-N 3.35Å; F31-A33 PolarHBondContact O-N 3.28Å; A33-H36 PolarHBondContact O-N 3Å; A33-S37 PolarHBondContact O-N 3.44Å |
| 34 | Q | 97.4 | Very high | 98 | Very high | 82 Ų | 82 | 88.1 Ų | 88.1 | 38% | 0.383 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -67.6 | -40.8 | 176.2 | -167.7 | 61.6 | 67.3 | 0 | 0 | 112.3 | Q30 F31 Q32 H36 S37 F38 | Q30-Q34 PolarHBondContact O-N 3.02Å; F31-Q34 WeakPolarHBondContact O-CB 3.38Å; F31-Q34 PolarHBondContact O-N 3.45Å; F31-Q34 VanDerWaalsContact O-N 3.13Å; Q32-Q34 VanDerWaalsContact C-N 3.26Å; Q32-Q34 PolarHBondContact O-N 2.87Å; Q34-H36 VanDerWaalsContact C-N 3.34Å; Q34-S37 PolarHBondContact O-N 3.49Å; Q34-F38 HydrophobicContact CG-CD2 4.23Å; Q34-F38 HydrophobicContact CG-CE1 3.98Å; Q34-F38 HydrophobicContact CG-CE2 3.57Å; Q34-F38 HydrophobicContact CG-CZ 3.42Å; Q34-F38 VanDerWaalsContact CG-CZ 3.42Å; Q34-F38 VanDerWaalsContact NE2-CZ 3.28Å; Q34-F38 WeakPolarHBondContact O-CD2 3.36Å; Q34-F38 VanDerWaalsContact O-CG 3.25Å; Q34-F38 WeakPolarHBondContact O-CG 3.32Å; Q34-F38 PolarHBondContact O-N 2.88Å |
| 35 | V | 98.3 | Very high | 98 | Very high | 49 Ų | 49 | 90.1 Ų | 90.1 | 30% | 0.297 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 173.8 | 171.2 | 0 | 0 | 0 | 0 | 111 | F31 Q32 F38 T39 | F31-V35 HydrophobicContact CD1-CG2 4.18Å; F31-V35 HydrophobicContact CE1-CG2 3.69Å; F31-V35 HydrophobicContact CE2-CG2 4.21Å; F31-V35 HydrophobicContact CZ-CG2 3.71Å; F31-V35 WeakPolarHBondContact O-CG2 3.31Å; F31-V35 PolarHBondContact O-N 3.42Å; Q32-V35 PolarHBondContact O-N 3.46Å; V35-F38 PolarHBondContact O-N 3.45Å; V35-T39 WeakPolarHBondContact O-CB 3.25Å; V35-T39 PolarHBondContact O-N 3.41Å; V35-T39 PolarHBondContact O-OG1 3.43Å |
| 36 | H | 98.4 | Very high | 98 | Very high | 114 Ų | 114 | 85.5 Ų | 85.5 | 53% | 0.528 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 175 | -72.7 | -55 | 0 | 0 | 0 | 111.7 | Q32 A33 Q34 F38 T39 D40 | Q32-H36 PolarHBondContact O-CD2 3.36Å; Q32-H36 PolarHBondContact O-N 3.19Å; A33-H36 PolarHBondContact O-N 3Å; Q34-H36 VanDerWaalsContact C-N 3.34Å; H36-F38 VanDerWaalsContact C-N 3.32Å; H36-F38 PolarHBondContact O-N 3.22Å; H36-T39 WeakPolarHBondContact O-CB 3.36Å; H36-T39 PolarHBondContact O-N 3.39Å; H36-D40 PolarHBondContact O-N 3.35Å |
| 37 | S | 98.1 | Very high | 97.9 | Very high | 48 Ų | 48 | 81 Ų | 81 | 34% | 0.336 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -58.9 | -41.8 | 177.1 | 177.9 | 0 | 0 | 0 | 0 | 112.7 | A33 Q34 V41 | A33-S37 PolarHBondContact O-N 3.44Å; Q34-S37 PolarHBondContact O-N 3.49Å; S37-V41 WeakPolarHBondContact O-CG2 3.5Å; S37-V41 PolarHBondContact O-N 3.17Å; S37-V41 VanDerWaalsContact O-N 3.13Å |
| 38 | F | 98.4 | Very high | 97.6 | Very high | 31 Ų | 31 | 82 Ų | 82 | 14% | 0.136 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -65.9 | -40 | 174.7 | -66.1 | -22.3 | 0 | 0 | 0 | 112.2 | Q34 V35 H36 C42 V66 F69 I70 | Q34-F38 HydrophobicContact CG-CD2 4.23Å; Q34-F38 HydrophobicContact CG-CE1 3.98Å; Q34-F38 HydrophobicContact CG-CE2 3.57Å; Q34-F38 HydrophobicContact CG-CZ 3.42Å; Q34-F38 VanDerWaalsContact CG-CZ 3.42Å; Q34-F38 VanDerWaalsContact NE2-CZ 3.28Å; Q34-F38 WeakPolarHBondContact O-CD2 3.36Å; Q34-F38 VanDerWaalsContact O-CG 3.25Å; Q34-F38 WeakPolarHBondContact O-CG 3.32Å; Q34-F38 PolarHBondContact O-N 2.88Å; V35-F38 PolarHBondContact O-N 3.45Å; H36-F38 VanDerWaalsContact C-N 3.32Å; H36-F38 PolarHBondContact O-N 3.22Å; F38-C42 WeakPolarHBondContact O-CB 3.49Å; F38-C42 PolarHBondContact O-N 3.05Å; F38-C42 PolarHBondContact O-SG 3Å; F38-V66 HydrophobicContact CB-CG2 4.2Å; F38-V66 HydrophobicContact CD2-CG1 3.82Å; F38-V66 HydrophobicContact CE2-CG1 4.04Å; F38-V66 HydrophobicContact CG-CG1 4.32Å; F38-F69 AromaticContact CD1-CD1 3.98Å; F38-F69 HydrophobicContact CD1-CD1 3.98Å; F38-F69 HydrophobicContact CD1-CE1 4.29Å; F38-F69 HydrophobicContact CD1-CG 4.33Å; F38-F69 AromaticContact CE1-CD1 3.35Å; F38-F69 HydrophobicContact CE1-CD1 3.35Å; F38-F69 AromaticContact CE1-CE1 3.69Å; F38-F69 HydrophobicContact CE1-CE1 3.69Å; F38-F69 HydrophobicContact CE1-CG 4.08Å; F38-F69 HydrophobicContact CZ-CD1 4.31Å; F38-I70 HydrophobicContact CE1-CG1 4.42Å; F38-I70 HydrophobicContact CE2-CD1 4.05Å; F38-I70 HydrophobicContact CE2-CG1 4.15Å; F38-I70 HydrophobicContact CZ-CD1 4.08Å; F38-I70 HydrophobicContact CZ-CG1 3.65Å |
| 39 | T | 98 | Very high | 97.1 | Very high | 71 Ų | 71 | 81.3 Ų | 81.3 | 44% | 0.436 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.6 | -50.9 | 177.2 | -57.9 | 0 | 0 | 0 | 0 | 109.8 | V35 H36 V41 W43 | V35-T39 WeakPolarHBondContact O-CB 3.25Å; V35-T39 PolarHBondContact O-N 3.41Å; V35-T39 PolarHBondContact O-OG1 3.43Å; H36-T39 WeakPolarHBondContact O-CB 3.36Å; H36-T39 PolarHBondContact O-N 3.39Å; T39-V41 PolarHBondContact O-N 3.25Å; T39-W43 WeakPolarHBondContact O-CA 3.49Å; T39-W43 WeakPolarHBondContact O-CB 3.39Å; T39-W43 PolarHBondContact O-N 2.98Å |
| 40 | D | 97.9 | Very high | 96.5 | Very high | 103 Ų | 103 | 83.6 Ų | 83.6 | 55% | 0.551 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58.9 | -52 | -179.5 | -63.3 | -20.9 | 0 | 0 | 0 | 111.4 | H36 D44 | H36-D40 PolarHBondContact O-N 3.35Å; D40-D44 PolarHBondContact O-N 2.88Å |
| 41 | V | 98.2 | Very high | 95.9 | Very high | 47 Ų | 47 | 80 Ų | 80 | 29% | 0.285 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -66.4 | -43.7 | -176.5 | 172.8 | 0 | 0 | 0 | 0 | 112.3 | S37 T39 K45 F69 | S37-V41 WeakPolarHBondContact O-CG2 3.5Å; S37-V41 PolarHBondContact O-N 3.17Å; S37-V41 VanDerWaalsContact O-N 3.13Å; T39-V41 PolarHBondContact O-N 3.25Å; V41-K45 HydrophobicContact CG1-CD 4.18Å; V41-K45 VanDerWaalsContact O-CG 3.29Å; V41-K45 WeakPolarHBondContact O-CG 3.45Å; V41-K45 PolarHBondContact O-N 3.01Å; V41-F69 HydrophobicContact CG1-CD2 4.31Å; V41-F69 HydrophobicContact CG1-CE2 4.4Å |
| 42 | C | 98.4 | Very high | 95.7 | Very high | 2 Ų | 2 | 80.2 Ų | 80.2 | 1% | 0.014 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -80.9 | -27.1 | -175.8 | -66.3 | 0 | 0 | 0 | 0 | 112.3 | F38 K45 C46 L62 C65 | F38-C42 WeakPolarHBondContact O-CB 3.49Å; F38-C42 PolarHBondContact O-N 3.05Å; F38-C42 PolarHBondContact O-SG 3Å; C42-K45 PolarHBondContact O-N 3.11Å; C42-C46 VanDerWaalsContact O-CB 3.24Å; C42-C46 WeakPolarHBondContact O-CB 3.43Å; C42-C46 PolarHBondContact O-N 2.7Å; C42-L62 HydrophobicContact CB-CD2 3.92Å; C42-C65 WeakPolarHBondContact CA-SG 3.48Å; C42-C65 HydrophobicContact CB-CB 3.77Å; C42-C65 WeakPolarHBondContact CB-SG 3.42Å; C42-C65 WeakPolarHBondContact SG-CB 3.36Å; C42-C65 CovalentContact SG-SG 2.05Å; C42-C65 PolarHBondContact SG-SG 3.46Å |
| 43 | W | 97.4 | Very high | 95.5 | Very high | 121 Ų | 121 | 84.4 Ų | 84.4 | 46% | 0.458 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.6 | -53.7 | 171.2 | -176.1 | -91.8 | 0 | 0 | 0 | 110.6 | T39 K45 C46 V47 P50 | T39-W43 WeakPolarHBondContact O-CA 3.49Å; T39-W43 WeakPolarHBondContact O-CB 3.39Å; T39-W43 PolarHBondContact O-N 2.98Å; W43-K45 PolarHBondContact O-N 2.84Å; W43-K45 VanDerWaalsContact O-N 3.13Å; W43-C46 PolarHBondContact O-N 2.97Å; W43-V47 HydrophobicContact CD2-CB 3.96Å; W43-V47 HydrophobicContact CD2-CG1 4.26Å; W43-V47 HydrophobicContact CD2-CG2 4Å; W43-V47 HydrophobicContact CE3-CB 4.1Å; W43-V47 HydrophobicContact CE3-CG1 4.27Å; W43-V47 HydrophobicContact CE3-CG2 3.67Å; W43-V47 HydrophobicContact CG-CB 4.43Å; W43-V47 HydrophobicContact CH2-CB 4.46Å; W43-V47 HydrophobicContact CH2-CG1 3.76Å; W43-V47 HydrophobicContact CZ2-CB 4.33Å; W43-V47 HydrophobicContact CZ2-CG1 3.72Å; W43-V47 HydrophobicContact CZ3-CB 4.34Å; W43-V47 HydrophobicContact CZ3-CG1 4.03Å; W43-V47 HydrophobicContact CZ3-CG2 3.97Å; W43-V47 WeakPolarHBondContact O-CB 3.39Å; W43-V47 PolarHBondContact O-N 3.25Å; W43-P50 HydrophobicContact CZ2-CB 4.49Å |
| 44 | D | 97.2 | Very high | 95.2 | Very high | 137 Ų | 137 | 85.3 Ų | 85.3 | 73% | 0.733 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61 | -25.5 | 179.5 | -73.1 | -9.2 | 0 | 0 | 0 | 113.5 | D40 | D40-D44 PolarHBondContact O-N 2.88Å |
| 45 | K | 97.5 | Very high | 95.1 | Very high | 145 Ų | 145 | 85.3 Ų | 85.3 | 63% | 0.63 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -90.7 | -32 | -178.4 | -74.2 | 179.9 | -175 | -58.7 | 0 | 114.3 | V41 C42 W43 | V41-K45 HydrophobicContact CG1-CD 4.18Å; V41-K45 VanDerWaalsContact O-CG 3.29Å; V41-K45 WeakPolarHBondContact O-CG 3.45Å; V41-K45 PolarHBondContact O-N 3.01Å; C42-K45 PolarHBondContact O-N 3.11Å; W43-K45 PolarHBondContact O-N 2.84Å; W43-K45 VanDerWaalsContact O-N 3.13Å |
| 46 | C | 97.9 | Very high | 95 | Very high | 12 Ų | 12 | 91.7 Ų | 91.7 | 8% | 0.081 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -116.8 | -18.2 | -166.8 | -69.7 | 0 | 0 | 0 | 0 | 113.9 | C42 W43 C61 L62 | C42-C46 VanDerWaalsContact O-CB 3.24Å; C42-C46 WeakPolarHBondContact O-CB 3.43Å; C42-C46 PolarHBondContact O-N 2.7Å; W43-C46 PolarHBondContact O-N 2.97Å; C46-C61 VanDerWaalsContact CA-SG 3.52Å; C46-C61 HydrophobicContact CB-CB 3.62Å; C46-C61 WeakPolarHBondContact CB-SG 3.16Å; C46-C61 WeakPolarHBondContact SG-CB 3.45Å; C46-C61 PolarHBondContact SG-O 2.75Å; C46-C61 VanDerWaalsContact SG-O 3.36Å; C46-C61 CovalentContact SG-SG 2.04Å; C46-C61 PolarHBondContact SG-SG 3.3Å; C46-L62 HydrophobicContact CB-CD2 3.87Å; C46-L62 HydrophobicContact CB-CG 4.08Å |
| 47 | V | 96.3 | Very high | 94.9 | Very high | 18 Ų | 18 | 95.8 Ų | 95.8 | 11% | 0.109 | 51% | 0.507 | C | S | . | . | trans | -113.5 | 90.2 | -173.4 | -172.1 | 0 | 0 | 0 | 0 | 110.2 | W43 T58 L62 | W43-V47 HydrophobicContact CD2-CB 3.96Å; W43-V47 HydrophobicContact CD2-CG1 4.26Å; W43-V47 HydrophobicContact CD2-CG2 4Å; W43-V47 HydrophobicContact CE3-CB 4.1Å; W43-V47 HydrophobicContact CE3-CG1 4.27Å; W43-V47 HydrophobicContact CE3-CG2 3.67Å; W43-V47 HydrophobicContact CG-CB 4.43Å; W43-V47 HydrophobicContact CH2-CB 4.46Å; W43-V47 HydrophobicContact CH2-CG1 3.76Å; W43-V47 HydrophobicContact CZ2-CB 4.33Å; W43-V47 HydrophobicContact CZ2-CG1 3.72Å; W43-V47 HydrophobicContact CZ3-CB 4.34Å; W43-V47 HydrophobicContact CZ3-CG1 4.03Å; W43-V47 HydrophobicContact CZ3-CG2 3.97Å; W43-V47 WeakPolarHBondContact O-CB 3.39Å; W43-V47 PolarHBondContact O-N 3.25Å; V47-T58 HydrophobicContact CG2-CG2 3.87Å; V47-L62 HydrophobicContact CG2-CD2 4.37Å | ||
| 48 | D | 90.7 | Very high | 94.8 | Very high | 155 Ų | 155 | 94.7 Ų | 94.7 | 83% | 0.829 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -74.1 | -39.2 | 178.2 | -69.2 | -29.3 | 0 | 0 | 0 | 112.8 | ||
| 49 | S | 88.1 | Confident | 94.7 | Very high | 103 Ų | 103 | 98 Ų | 98 | 72% | 0.72 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -146.3 | 118.2 | -177.4 | -70.4 | 0 | 0 | 0 | 0 | 110.4 | G51 | S49-G51 PolarHBondContact O-N 2.93Š|
| 50 | P | 85.3 | Confident | 94.7 | Very high | 109 Ų | 109 | 96.9 Ų | 96.9 | 71% | 0.708 | 51% | 0.508 | S | S | * | . | trans | -69.5 | 123.6 | -178.2 | 26.2 | -31.9 | 0 | 0 | 0 | 110.7 | W43 | W43-P50 HydrophobicContact CZ2-CB 4.49Š| ||
| 51 | G | 86.3 | Confident | 94.7 | Very high | 61 Ų | 61 | 94.2 Ų | 94.2 | 63% | 0.629 | 50% | 0.496 | S | S | * | . | trans | -104.3 | 177.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | S49 K53 | S49-G51 PolarHBondContact O-N 2.93Å; G51-K53 PolarHBondContact O-N 2.92Å | ||
| 52 | S | 93.1 | Very high | 94.7 | Very high | 133 Ų | 133 | 93.9 Ų | 93.9 | 93% | 0.93 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -68.9 | -13.8 | 173.4 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 53 | K | 93.6 | Very high | 94.7 | Very high | 171 Ų | 171 | 99.6 Ų | 99.6 | 74% | 0.743 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -149.7 | 154.5 | 174.1 | 60.5 | -178.4 | -179.7 | 178.7 | 0 | 109.3 | G51 | G51-K53 PolarHBondContact O-N 2.92Š|
| 54 | L | 93.8 | Very high | 94.8 | Very high | 79 Ų | 79 | 97.3 Ų | 97.3 | 41% | 0.414 | 52% | 0.516 | S | S | . | . | trans | -71.6 | 136 | 168.1 | -57.2 | 178.5 | 0 | 0 | 0 | 108.4 | T58 E59 L62 | L54-T58 HydrophobicContact CD2-CG2 3.87Å; L54-E59 HydrophobicContact CB-CG 3.61Å; L54-E59 HydrophobicContact CD1-CG 4.24Å; L54-L62 HydrophobicContact CD1-CD1 3.9Å | ||
| 55 | D | 94 | Very high | 94.9 | Very high | 83 Ų | 83 | 91.7 Ų | 91.7 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | trans | -83.5 | 163.5 | 168.7 | 72.7 | 10.7 | 0 | 0 | 0 | 110.2 | R57 T58 E59 | D55-R57 PolarHBondContact O-N 3.49Å; D55-R57 VanDerWaalsContact O-N 3.12Å; D55-R57 PolarHBondContact OD1-N 2.75Å; D55-T58 PolarHBondContact O-N 3.35Å; D55-T58 VanDerWaalsContact OD1-CB 3.26Å; D55-T58 WeakPolarHBondContact OD1-CB 3.29Å; D55-T58 PolarHBondContact OD1-N 3.43Å; D55-T58 PolarHBondContact OD1-OG1 3.3Å; D55-E59 WeakPolarHBondContact O-CG 3.23Å; D55-E59 PolarHBondContact O-N 3.35Å | ||
| 56 | Y | 96 | Very high | 94.9 | Very high | 183 Ų | 183 | 87 Ų | 87 | 72% | 0.718 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -55.6 | -33.9 | -177.5 | 174.5 | -106.3 | 0 | 0 | 0 | 113.1 | T60 | Y56-T60 VanDerWaalsContact O-CB 3.28Å; Y56-T60 WeakPolarHBondContact O-CB 3.49Å; Y56-T60 PolarHBondContact O-N 2.89Å; Y56-T60 PolarHBondContact O-OG1 3.45Å |
| 57 | R | 95.8 | Very high | 95 | Very high | 199 Ų | 199 | 90 Ų | 90 | 75% | 0.751 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.9 | -44.5 | 178.7 | -179.3 | -179.8 | -71.1 | 137 | -3.1 | 110.7 | D55 T60 C61 | D55-R57 PolarHBondContact O-N 3.49Å; D55-R57 VanDerWaalsContact O-N 3.12Å; D55-R57 PolarHBondContact OD1-N 2.75Å; R57-T60 PolarHBondContact O-N 3.1Å; R57-C61 WeakPolarHBondContact O-CB 3.29Å; R57-C61 PolarHBondContact O-N 3.13Å |
| 58 | T | 96.6 | Very high | 95.1 | Very high | 25 Ų | 25 | 95.4 Ų | 95.4 | 15% | 0.153 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -66 | -45.6 | 179 | -53.1 | 0 | 0 | 0 | 0 | 110.8 | V47 L54 D55 T60 C61 L62 | V47-T58 HydrophobicContact CG2-CG2 3.87Å; L54-T58 HydrophobicContact CD2-CG2 3.87Å; D55-T58 PolarHBondContact O-N 3.35Å; D55-T58 VanDerWaalsContact OD1-CB 3.26Å; D55-T58 WeakPolarHBondContact OD1-CB 3.29Å; D55-T58 PolarHBondContact OD1-N 3.43Å; D55-T58 PolarHBondContact OD1-OG1 3.3Å; T58-T60 PolarHBondContact O-N 2.87Å; T58-C61 PolarHBondContact O-N 3.47Å; T58-L62 HydrophobicContact CG2-CD1 4.15Å; T58-L62 WeakPolarHBondContact O-CG 3.45Å; T58-L62 PolarHBondContact O-N 3.13Å |
| 59 | E | 96.8 | Very high | 95.4 | Very high | 102 Ų | 102 | 91.3 Ų | 91.3 | 48% | 0.477 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.7 | -48.9 | 175.4 | -68.8 | 177.8 | 171.9 | 0 | 0 | 111.6 | L54 D55 C61 L62 Q63 | L54-E59 HydrophobicContact CB-CG 3.61Å; L54-E59 HydrophobicContact CD1-CG 4.24Å; D55-E59 WeakPolarHBondContact O-CG 3.23Å; D55-E59 PolarHBondContact O-N 3.35Å; E59-C61 VanDerWaalsContact C-N 3.32Å; E59-C61 PolarHBondContact O-N 2.92Å; E59-L62 PolarHBondContact O-N 2.96Å; E59-Q63 PolarHBondContact O-N 3.07Å |
| 60 | T | 98.3 | Very high | 95.9 | Very high | 47 Ų | 47 | 90.2 Ų | 90.2 | 29% | 0.288 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.8 | -39.2 | 177.6 | -59 | 0 | 0 | 0 | 0 | 111.6 | Y56 R57 T58 N64 | Y56-T60 VanDerWaalsContact O-CB 3.28Å; Y56-T60 WeakPolarHBondContact O-CB 3.49Å; Y56-T60 PolarHBondContact O-N 2.89Å; Y56-T60 PolarHBondContact O-OG1 3.45Å; R57-T60 PolarHBondContact O-N 3.1Å; T58-T60 PolarHBondContact O-N 2.87Å; T60-N64 WeakPolarHBondContact CG2-ND2 3.31Å; T60-N64 WeakPolarHBondContact O-CB 3.25Å; T60-N64 PolarHBondContact O-N 3.2Å; T60-N64 VanDerWaalsContact O-N 3.09Å; T60-N64 PolarHBondContact O-ND2 3.35Å |
| 61 | C | 98.4 | Very high | 96.5 | Very high | 46 Ų | 46 | 88.2 Ų | 88.2 | 31% | 0.311 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.7 | -47.8 | 176.6 | -173.8 | 0 | 0 | 0 | 0 | 111.4 | C46 R57 T58 E59 Q63 N64 C65 | C46-C61 VanDerWaalsContact CA-SG 3.52Å; C46-C61 HydrophobicContact CB-CB 3.62Å; C46-C61 WeakPolarHBondContact CB-SG 3.16Å; C46-C61 WeakPolarHBondContact SG-CB 3.45Å; C46-C61 PolarHBondContact SG-O 2.75Å; C46-C61 VanDerWaalsContact SG-O 3.36Å; C46-C61 CovalentContact SG-SG 2.04Å; C46-C61 PolarHBondContact SG-SG 3.3Å; R57-C61 WeakPolarHBondContact O-CB 3.29Å; R57-C61 PolarHBondContact O-N 3.13Å; T58-C61 PolarHBondContact O-N 3.47Å; E59-C61 VanDerWaalsContact C-N 3.32Å; E59-C61 PolarHBondContact O-N 2.92Å; C61-Q63 PolarHBondContact O-N 3.34Å; C61-N64 PolarHBondContact O-N 3.39Å; C61-C65 VanDerWaalsContact O-CB 3.26Å; C61-C65 WeakPolarHBondContact O-CB 3.44Å; C61-C65 PolarHBondContact O-N 2.93Å |
| 62 | L | 98.1 | Very high | 97 | Very high | 41 Ų | 41 | 88.9 Ų | 88.9 | 22% | 0.215 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -60.7 | -45.8 | -179.7 | -72 | 169.3 | 0 | 0 | 0 | 111.5 | C42 C46 V47 L54 T58 E59 C65 V66 | C42-L62 HydrophobicContact CB-CD2 3.92Å; C46-L62 HydrophobicContact CB-CD2 3.87Å; C46-L62 HydrophobicContact CB-CG 4.08Å; V47-L62 HydrophobicContact CG2-CD2 4.37Å; L54-L62 HydrophobicContact CD1-CD1 3.9Å; T58-L62 HydrophobicContact CG2-CD1 4.15Å; T58-L62 WeakPolarHBondContact O-CG 3.45Å; T58-L62 PolarHBondContact O-N 3.13Å; E59-L62 PolarHBondContact O-N 2.96Å; L62-C65 PolarHBondContact O-N 2.77Å; L62-V66 WeakPolarHBondContact O-CG2 3.38Å; L62-V66 PolarHBondContact O-N 3.41Å; L62-V66 VanDerWaalsContact O-N 3.12Å |
| 63 | Q | 98.4 | Very high | 97.2 | Very high | 121 Ų | 121 | 85.5 Ų | 85.5 | 57% | 0.565 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -57.7 | -52.4 | 176 | -177.3 | -176.5 | -30.9 | 0 | 0 | 111 | E59 C61 C65 V66 E67 | E59-Q63 PolarHBondContact O-N 3.07Å; C61-Q63 PolarHBondContact O-N 3.34Å; Q63-C65 VanDerWaalsContact C-N 3.31Å; Q63-C65 PolarHBondContact O-N 3.13Å; Q63-V66 PolarHBondContact O-N 2.94Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.44Å; Q63-E67 PolarHBondContact NE2-OE1 2.96Å; Q63-E67 WeakPolarHBondContact O-CG 3.44Å; Q63-E67 PolarHBondContact O-N 2.93Å; Q63-E67 VanDerWaalsContact O-N 3.08Å |
| 64 | N | 98.7 | Very high | 97.4 | Very high | 73 Ų | 73 | 82 Ų | 82 | 39% | 0.39 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.9 | -39.6 | 179.2 | -75.8 | -51.3 | 0 | 0 | 0 | 112 | T60 C61 V66 E67 R68 | T60-N64 WeakPolarHBondContact CG2-ND2 3.31Å; T60-N64 WeakPolarHBondContact O-CB 3.25Å; T60-N64 PolarHBondContact O-N 3.2Å; T60-N64 VanDerWaalsContact O-N 3.09Å; T60-N64 PolarHBondContact O-ND2 3.35Å; C61-N64 PolarHBondContact O-N 3.39Å; N64-V66 PolarHBondContact O-N 3.36Å; N64-E67 PolarHBondContact O-N 2.94Å; N64-R68 VanDerWaalsContact O-CB 3.27Å; N64-R68 WeakPolarHBondContact O-CB 3.02Å; N64-R68 WeakPolarHBondContact O-CG 3.04Å; N64-R68 PolarHBondContact O-N 3.27Å |
| 65 | C | 98.8 | Very high | 97.6 | Very high | 19 Ų | 19 | 82.8 Ų | 82.8 | 13% | 0.128 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -59.6 | -49 | -179.5 | 176.2 | 0 | 0 | 0 | 0 | 111.4 | C42 C61 L62 Q63 F69 | C42-C65 WeakPolarHBondContact CA-SG 3.48Å; C42-C65 HydrophobicContact CB-CB 3.77Å; C42-C65 WeakPolarHBondContact CB-SG 3.42Å; C42-C65 WeakPolarHBondContact SG-CB 3.36Å; C42-C65 CovalentContact SG-SG 2.05Å; C42-C65 PolarHBondContact SG-SG 3.46Å; C61-C65 VanDerWaalsContact O-CB 3.26Å; C61-C65 WeakPolarHBondContact O-CB 3.44Å; C61-C65 PolarHBondContact O-N 2.93Å; L62-C65 PolarHBondContact O-N 2.77Å; Q63-C65 VanDerWaalsContact C-N 3.31Å; Q63-C65 PolarHBondContact O-N 3.13Å; C65-F69 WeakPolarHBondContact O-CB 3.34Å; C65-F69 PolarHBondContact O-N 2.96Å |
| 66 | V | 98.6 | Very high | 97.8 | Very high | 47 Ų | 47 | 84 Ų | 84 | 29% | 0.285 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.3 | -48.3 | 178.6 | 177.6 | 0 | 0 | 0 | 0 | 111 | F38 L62 Q63 N64 R68 F69 I70 | F38-V66 HydrophobicContact CB-CG2 4.2Å; F38-V66 HydrophobicContact CD2-CG1 3.82Å; F38-V66 HydrophobicContact CE2-CG1 4.04Å; F38-V66 HydrophobicContact CG-CG1 4.32Å; L62-V66 WeakPolarHBondContact O-CG2 3.38Å; L62-V66 PolarHBondContact O-N 3.41Å; L62-V66 VanDerWaalsContact O-N 3.12Å; Q63-V66 PolarHBondContact O-N 2.94Å; N64-V66 PolarHBondContact O-N 3.36Å; V66-R68 PolarHBondContact O-N 2.86Å; V66-F69 PolarHBondContact O-N 2.97Å; V66-I70 HydrophobicContact CG1-CD1 3.91Å; V66-I70 WeakPolarHBondContact O-CG1 3.46Å; V66-I70 PolarHBondContact O-N 2.94Å |
| 67 | E | 98.6 | Very high | 97.9 | Very high | 76 Ų | 76 | 78.8 Ų | 78.8 | 36% | 0.355 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -58.2 | -47.5 | 178 | -72.5 | 177 | -166.6 | 0 | 0 | 112 | Q63 N64 F69 I70 D71 | Q63-E67 WeakPolarHBondContact CG-OE1 3.44Å; Q63-E67 PolarHBondContact NE2-OE1 2.96Å; Q63-E67 WeakPolarHBondContact O-CG 3.44Å; Q63-E67 PolarHBondContact O-N 2.93Å; Q63-E67 VanDerWaalsContact O-N 3.08Å; N64-E67 PolarHBondContact O-N 2.94Å; E67-F69 VanDerWaalsContact C-N 3.33Å; E67-F69 PolarHBondContact O-N 3.26Å; E67-I70 PolarHBondContact O-N 3.45Å; E67-D71 WeakPolarHBondContact O-CB 3.5Å; E67-D71 PolarHBondContact O-N 2.93Å |
| 68 | R | 98.4 | Very high | 97.9 | Very high | 131 Ų | 131 | 73 Ų | 73 | 49% | 0.494 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 179 | -69 | -52 | 96.5 | -147.8 | -5.7 | 111.9 | N64 V66 D71 T72 | N64-R68 VanDerWaalsContact O-CB 3.27Å; N64-R68 WeakPolarHBondContact O-CB 3.02Å; N64-R68 WeakPolarHBondContact O-CG 3.04Å; N64-R68 PolarHBondContact O-N 3.27Å; V66-R68 PolarHBondContact O-N 2.86Å; R68-D71 IonicContact CZ-OD2 3.01Å; R68-D71 IonicContact NH1-OD2 2.74Å; R68-D71 PolarHBondContact NH1-OD2 3.44Å; R68-D71 IonicContact NH2-OD2 2.71Å; R68-D71 PolarHBondContact NH2-OD2 3.37Å; R68-T72 VanDerWaalsContact O-CB 3.23Å; R68-T72 WeakPolarHBondContact O-CB 3.46Å; R68-T72 PolarHBondContact O-N 3.38Å; R68-T72 PolarHBondContact O-OG1 2.74Å |
| 69 | F | 98.2 | Very high | 97.9 | Very high | 69 Ų | 69 | 80.1 Ų | 80.1 | 30% | 0.303 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 177.3 | -170.3 | -76 | 0 | 0 | 0 | 111 | F38 V41 C65 V66 E67 T72 T73 | F38-F69 AromaticContact CD1-CD1 3.98Å; F38-F69 HydrophobicContact CD1-CD1 3.98Å; F38-F69 HydrophobicContact CD1-CE1 4.29Å; F38-F69 HydrophobicContact CD1-CG 4.33Å; F38-F69 AromaticContact CE1-CD1 3.35Å; F38-F69 HydrophobicContact CE1-CD1 3.35Å; F38-F69 AromaticContact CE1-CE1 3.69Å; F38-F69 HydrophobicContact CE1-CE1 3.69Å; F38-F69 HydrophobicContact CE1-CG 4.08Å; F38-F69 HydrophobicContact CZ-CD1 4.31Å; V41-F69 HydrophobicContact CG1-CD2 4.31Å; V41-F69 HydrophobicContact CG1-CE2 4.4Å; C65-F69 WeakPolarHBondContact O-CB 3.34Å; C65-F69 PolarHBondContact O-N 2.96Å; V66-F69 PolarHBondContact O-N 2.97Å; E67-F69 VanDerWaalsContact C-N 3.33Å; E67-F69 PolarHBondContact O-N 3.26Å; F69-T72 PolarHBondContact O-N 2.05Å; F69-T73 WeakPolarHBondContact CD1-OG1 3.18Å; F69-T73 WeakPolarHBondContact CE1-OG1 3.27Å; F69-T73 VanDerWaalsContact O-CB 3.29Å; F69-T73 WeakPolarHBondContact O-CB 2.96Å; F69-T73 PolarHBondContact O-N 2.94Å; F69-T73 PolarHBondContact O-OG1 2.04Å |
| 70 | I | 98 | Very high | 97.9 | Very high | 80 Ų | 80 | 81.8 Ų | 81.8 | 41% | 0.41 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.1 | -51.1 | 178.2 | -66.4 | 168 | 0 | 0 | 0 | 110.3 | F38 V66 E67 T72 T73 L74 | F38-I70 HydrophobicContact CE1-CG1 4.42Å; F38-I70 HydrophobicContact CE2-CD1 4.05Å; F38-I70 HydrophobicContact CE2-CG1 4.15Å; F38-I70 HydrophobicContact CZ-CD1 4.08Å; F38-I70 HydrophobicContact CZ-CG1 3.65Å; V66-I70 HydrophobicContact CG1-CD1 3.91Å; V66-I70 WeakPolarHBondContact O-CG1 3.46Å; V66-I70 PolarHBondContact O-N 2.94Å; E67-I70 PolarHBondContact O-N 3.45Å; I70-T72 VanDerWaalsContact C-N 3.31Å; I70-T72 PolarHBondContact O-N 3.24Å; I70-T73 PolarHBondContact O-N 3.32Å; I70-L74 WeakPolarHBondContact O-CB 3.39Å; I70-L74 PolarHBondContact O-N 2.83Å |
| 71 | D | 98.2 | Very high | 97.8 | Very high | 66 Ų | 66 | 82.4 Ų | 82.4 | 35% | 0.353 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.5 | -44.5 | -179.9 | -79.5 | -3 | 0 | 0 | 0 | 112 | E67 R68 T75 | E67-D71 WeakPolarHBondContact O-CB 3.5Å; E67-D71 PolarHBondContact O-N 2.93Å; R68-D71 IonicContact CZ-OD2 3.01Å; R68-D71 IonicContact NH1-OD2 2.74Å; R68-D71 PolarHBondContact NH1-OD2 3.44Å; R68-D71 IonicContact NH2-OD2 2.71Å; R68-D71 PolarHBondContact NH2-OD2 3.37Å; D71-T75 VanDerWaalsContact O-CB 3.32Å; D71-T75 WeakPolarHBondContact O-CB 3.01Å; D71-T75 PolarHBondContact O-N 3.12Å; D71-T75 PolarHBondContact O-OG1 3.29Å |
| 72 | T | 97.8 | Very high | 97.7 | Very high | 76 Ų | 76 | 85.3 Ų | 85.3 | 47% | 0.466 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.7 | -44.3 | -179.5 | -56.8 | 0 | 0 | 0 | 0 | 110.9 | R68 F69 I70 L74 T75 I76 | R68-T72 VanDerWaalsContact O-CB 3.23Å; R68-T72 WeakPolarHBondContact O-CB 3.46Å; R68-T72 PolarHBondContact O-N 3.38Å; R68-T72 PolarHBondContact O-OG1 2.74Å; F69-T72 PolarHBondContact O-N 2.05Å; I70-T72 VanDerWaalsContact C-N 3.31Å; I70-T72 PolarHBondContact O-N 3.24Å; T72-L74 PolarHBondContact O-N 3.05Å; T72-T75 PolarHBondContact O-N 2.98Å; T72-I76 HydrophobicContact CG2-CD1 3.77Å; T72-I76 HydrophobicContact CG2-CG1 4.41Å; T72-I76 VanDerWaalsContact O-CG1 3.3Å; T72-I76 WeakPolarHBondContact O-CG1 3.1Å; T72-I76 PolarHBondContact O-N 2.71Å |
| 73 | T | 97.1 | Very high | 97.5 | Very high | 62 Ų | 62 | 89.1 Ų | 89.1 | 38% | 0.38 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 178.6 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | F69 I70 I76 T77 | F69-T73 WeakPolarHBondContact CD1-OG1 3.18Å; F69-T73 WeakPolarHBondContact CE1-OG1 3.27Å; F69-T73 VanDerWaalsContact O-CB 3.29Å; F69-T73 WeakPolarHBondContact O-CB 2.96Å; F69-T73 PolarHBondContact O-N 2.94Å; F69-T73 PolarHBondContact O-OG1 2.04Å; I70-T73 PolarHBondContact O-N 3.32Å; T73-I76 PolarHBondContact O-N 2.93Å; T73-T77 VanDerWaalsContact O-CB 3.3Å; T73-T77 WeakPolarHBondContact O-CB 3.48Å; T73-T77 PolarHBondContact O-N 2.83Å; T73-T77 PolarHBondContact O-OG1 3.41Å |
| 74 | L | 97.5 | Very high | 97.3 | Very high | 97 Ų | 97 | 87 Ų | 87 | 51% | 0.508 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.8 | -44.3 | 176.9 | -179.8 | 60.7 | 0 | 0 | 0 | 111.3 | I70 T72 I76 T77 N78 | I70-L74 WeakPolarHBondContact O-CB 3.39Å; I70-L74 PolarHBondContact O-N 2.83Å; T72-L74 PolarHBondContact O-N 3.05Å; L74-I76 PolarHBondContact O-N 3.47Å; L74-T77 PolarHBondContact O-N 2.77Å; L74-N78 WeakPolarHBondContact CD1-ND2 3.37Å; L74-N78 WeakPolarHBondContact CG-ND2 3.24Å; L74-N78 VanDerWaalsContact O-CB 3.26Å; L74-N78 WeakPolarHBondContact O-CB 3.47Å; L74-N78 PolarHBondContact O-N 3.38Å; L74-N78 PolarHBondContact O-ND2 3.36Å |
| 75 | T | 97.9 | Very high | 97 | Very high | 95 Ų | 95 | 89.5 Ų | 89.5 | 58% | 0.583 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -59.4 | -47.8 | 178.2 | -62 | 0 | 0 | 0 | 0 | 111.6 | D71 T72 R79 | D71-T75 VanDerWaalsContact O-CB 3.32Å; D71-T75 WeakPolarHBondContact O-CB 3.01Å; D71-T75 PolarHBondContact O-N 3.12Å; D71-T75 PolarHBondContact O-OG1 3.29Å; T72-T75 PolarHBondContact O-N 2.98Å; T75-R79 WeakPolarHBondContact O-CB 3.4Å; T75-R79 PolarHBondContact O-N 2.9Å; T75-R79 VanDerWaalsContact O-N 3.08Å |
| 76 | I | 97.6 | Very high | 96.4 | Very high | 110 Ų | 110 | 96.1 Ų | 96.1 | 56% | 0.564 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.5 | -47.5 | 179.1 | -68.3 | 169.9 | 0 | 0 | 0 | 110.6 | T72 T73 L74 N78 R79 F80 | T72-I76 HydrophobicContact CG2-CD1 3.77Å; T72-I76 HydrophobicContact CG2-CG1 4.41Å; T72-I76 VanDerWaalsContact O-CG1 3.3Å; T72-I76 WeakPolarHBondContact O-CG1 3.1Å; T72-I76 PolarHBondContact O-N 2.71Å; T73-I76 PolarHBondContact O-N 2.93Å; L74-I76 PolarHBondContact O-N 3.47Å; I76-N78 PolarHBondContact O-N 3.44Å; I76-R79 PolarHBondContact O-N 2.65Å; I76-F80 WeakPolarHBondContact O-CB 3.35Å; I76-F80 PolarHBondContact O-N 2.91Å |
| 77 | T | 97.4 | Very high | 95.2 | Very high | 73 Ų | 73 | 96.8 Ų | 96.8 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | -177.7 | -57 | 0 | 0 | 0 | 0 | 111.7 | T73 L74 F80 T81 | T73-T77 VanDerWaalsContact O-CB 3.3Å; T73-T77 WeakPolarHBondContact O-CB 3.48Å; T73-T77 PolarHBondContact O-N 2.83Å; T73-T77 PolarHBondContact O-OG1 3.41Å; L74-T77 PolarHBondContact O-N 2.77Å; T77-F80 PolarHBondContact O-N 2.89Å; T77-T81 WeakPolarHBondContact O-CB 3.26Å; T77-T81 PolarHBondContact O-N 3.31Å; T77-T81 PolarHBondContact O-OG1 3.49Å |
| 78 | N | 96.9 | Very high | 93.4 | Very high | 76 Ų | 76 | 98.4 Ų | 98.4 | 41% | 0.406 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 177 | -74.3 | -19.5 | 0 | 0 | 0 | 111.5 | L74 I76 F80 T81 Q82 | L74-N78 WeakPolarHBondContact CD1-ND2 3.37Å; L74-N78 WeakPolarHBondContact CG-ND2 3.24Å; L74-N78 VanDerWaalsContact O-CB 3.26Å; L74-N78 WeakPolarHBondContact O-CB 3.47Å; L74-N78 PolarHBondContact O-N 3.38Å; L74-N78 PolarHBondContact O-ND2 3.36Å; I76-N78 PolarHBondContact O-N 3.44Å; N78-F80 VanDerWaalsContact C-N 3.35Å; N78-F80 PolarHBondContact O-N 3.49Å; N78-T81 PolarHBondContact O-N 3.09Å; N78-Q82 VanDerWaalsContact O-CG 3.31Å; N78-Q82 WeakPolarHBondContact O-CG 3.41Å; N78-Q82 PolarHBondContact O-N 3.08Å |
| 79 | R | 96.6 | Very high | 91.1 | Very high | 176 Ų | 176 | 103.1 Ų | 103.1 | 66% | 0.664 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62 | -43.9 | 176.8 | -177.2 | 171.3 | -179.3 | 148 | -0.1 | 111.5 | T75 I76 Q82 M83 | T75-R79 WeakPolarHBondContact O-CB 3.4Å; T75-R79 PolarHBondContact O-N 2.9Å; T75-R79 VanDerWaalsContact O-N 3.08Å; I76-R79 PolarHBondContact O-N 2.65Å; R79-Q82 PolarHBondContact O-N 3.21Å; R79-M83 HydrophobicContact CG-SD 4.4Å; R79-M83 WeakPolarHBondContact O-CG 3.28Å; R79-M83 PolarHBondContact O-N 3.46Å |
| 80 | F | 97.1 | Very high | 90.7 | Very high | 137 Ų | 137 | 104.9 Ų | 104.9 | 60% | 0.601 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -62.5 | -45.2 | 177.7 | -173.1 | -100.3 | 0 | 0 | 0 | 111.5 | I76 T77 N78 Q82 M83 V84 | I76-F80 WeakPolarHBondContact O-CB 3.35Å; I76-F80 PolarHBondContact O-N 2.91Å; T77-F80 PolarHBondContact O-N 2.89Å; N78-F80 VanDerWaalsContact C-N 3.35Å; N78-F80 PolarHBondContact O-N 3.49Å; F80-Q82 VanDerWaalsContact C-N 3.32Å; F80-Q82 PolarHBondContact O-N 3.32Å; F80-M83 WeakPolarHBondContact O-CB 3.4Å; F80-M83 PolarHBondContact O-N 3.04Å; F80-M83 VanDerWaalsContact O-N 3.08Å; F80-V84 HydrophobicContact CD1-CG2 4.04Å; F80-V84 HydrophobicContact CE1-CG2 3.65Å; F80-V84 HydrophobicContact CZ-CG2 3.92Å; F80-V84 WeakPolarHBondContact O-CG2 3.34Å; F80-V84 PolarHBondContact O-N 3.32Å |
| 81 | T | 96.3 | Very high | 90.4 | Very high | 60 Ų | 60 | 106.2 Ų | 106.2 | 37% | 0.368 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.2 | -45 | 176.1 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | T77 N78 M83 V84 Q85 | T77-T81 WeakPolarHBondContact O-CB 3.26Å; T77-T81 PolarHBondContact O-N 3.31Å; T77-T81 PolarHBondContact O-OG1 3.49Å; N78-T81 PolarHBondContact O-N 3.09Å; T81-M83 VanDerWaalsContact C-N 3.32Å; T81-M83 PolarHBondContact O-N 3.42Å; T81-V84 PolarHBondContact O-N 3.27Å; T81-Q85 WeakPolarHBondContact O-CG 3.26Å; T81-Q85 PolarHBondContact O-N 3.12Å |
| 82 | Q | 94.7 | Very high | 89.9 | Confident | 106 Ų | 106 | 108.4 Ų | 108.4 | 50% | 0.495 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.5 | -37.1 | 176.3 | -71.1 | 172.7 | 19.6 | 0 | 0 | 112.7 | N78 R79 F80 K86 | N78-Q82 VanDerWaalsContact O-CG 3.31Å; N78-Q82 WeakPolarHBondContact O-CG 3.41Å; N78-Q82 PolarHBondContact O-N 3.08Å; R79-Q82 PolarHBondContact O-N 3.21Å; F80-Q82 VanDerWaalsContact C-N 3.32Å; F80-Q82 PolarHBondContact O-N 3.32Å; Q82-K86 WeakPolarHBondContact O-CB 3.35Å; Q82-K86 VanDerWaalsContact O-CG 3.29Å; Q82-K86 WeakPolarHBondContact O-CG 3.47Å; Q82-K86 PolarHBondContact O-N 2.95Å |
| 83 | M | 94.8 | Very high | 89.5 | Confident | 122 Ų | 122 | 110.3 Ų | 110.3 | 60% | 0.601 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.8 | -44 | 177.1 | -71.2 | 176.3 | 62.6 | 0 | 0 | 111.7 | R79 F80 T81 K86 G87 | R79-M83 HydrophobicContact CG-SD 4.4Å; R79-M83 WeakPolarHBondContact O-CG 3.28Å; R79-M83 PolarHBondContact O-N 3.46Å; F80-M83 WeakPolarHBondContact O-CB 3.4Å; F80-M83 PolarHBondContact O-N 3.04Å; F80-M83 VanDerWaalsContact O-N 3.08Å; T81-M83 VanDerWaalsContact C-N 3.32Å; T81-M83 PolarHBondContact O-N 3.42Å; M83-K86 PolarHBondContact O-N 2.83Å; M83-G87 PolarHBondContact O-N 3.01Å |
| 84 | V | 95.1 | Very high | 89 | Confident | 75 Ų | 75 | 113.3 Ų | 113.3 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.3 | -46.2 | 177.3 | 172.6 | 0 | 0 | 0 | 0 | 111 | F80 T81 K86 G87 T88 | F80-V84 HydrophobicContact CD1-CG2 4.04Å; F80-V84 HydrophobicContact CE1-CG2 3.65Å; F80-V84 HydrophobicContact CZ-CG2 3.92Å; F80-V84 WeakPolarHBondContact O-CG2 3.34Å; F80-V84 PolarHBondContact O-N 3.32Å; T81-V84 PolarHBondContact O-N 3.27Å; V84-K86 VanDerWaalsContact C-N 3.32Å; V84-K86 PolarHBondContact O-N 2.78Å; V84-G87 PolarHBondContact O-N 3.05Å; V84-T88 PolarHBondContact O-N 3.29Å; V84-T88 PolarHBondContact O-OG1 2.78Å |
| 85 | Q | 91.6 | Very high | 88.4 | Confident | 127 Ų | 127 | 114.4 Ų | 114.4 | 59% | 0.593 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.8 | -39.7 | 178.1 | -72.8 | 174.1 | -7.4 | 0 | 0 | 112.6 | T81 | T81-Q85 WeakPolarHBondContact O-CG 3.26Å; T81-Q85 PolarHBondContact O-N 3.12Å |
| 86 | K | 85.3 | Confident | 87.8 | Confident | 158 Ų | 158 | 115.8 Ų | 115.8 | 69% | 0.687 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -72.8 | -28.3 | 178.8 | -73.4 | 175.3 | -179 | 179.7 | 0 | 114 | Q82 M83 V84 T88 | Q82-K86 WeakPolarHBondContact O-CB 3.35Å; Q82-K86 VanDerWaalsContact O-CG 3.29Å; Q82-K86 WeakPolarHBondContact O-CG 3.47Å; Q82-K86 PolarHBondContact O-N 2.95Å; M83-K86 PolarHBondContact O-N 2.83Å; V84-K86 VanDerWaalsContact C-N 3.32Å; V84-K86 PolarHBondContact O-N 2.78Å; K86-T88 VanDerWaalsContact C-N 3.32Å |
| 87 | G | 74.3 | Confident | 87 | Confident | 60 Ų | 60 | 116.2 Ų | 116.2 | 62% | 0.619 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -1.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | M83 V84 H89 | M83-G87 PolarHBondContact O-N 3.01Å; V84-G87 PolarHBondContact O-N 3.05Å; G87-H89 VanDerWaalsContact C-N 3.28Å |
| 88 | T | 61.7 | Low | 86.1 | Confident | 110 Ų | 110 | 119.8 Ų | 119.8 | 68% | 0.675 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | 12.1 | 176.7 | -40.4 | 0 | 0 | 0 | 0 | 112.1 | V84 K86 | V84-T88 PolarHBondContact O-N 3.29Å; V84-T88 PolarHBondContact O-OG1 2.78Å; K86-T88 VanDerWaalsContact C-N 3.32Å |
| 89 | H | 49.4 | Very low | 85.1 | Confident | 231 Ų | 231 | 123.8 Ų | 123.8 | 100% | 1.069 | 62% | 0.621 | S | S | * | * | trans | -123.4 | 0 | 169.9 | -71.5 | -61.1 | 0 | 0 | 0 | 109.3 | G87 | G87-H89 VanDerWaalsContact C-N 3.28Š|
Retrieved 89 of 89 residues in 84.6 ms
(Link to these results)