| 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 | N | 39.1 | Very low | 42.8 | Very low | 198 Ų | 198 | 167.4 Ų | 167.4 | 100% | 1.059 | 85% | 0.845 | S | S | * | * | 0 | 115.4 | 0 | -110.1 | -5.2 | 0 | 0 | 0 | 107.7 | |||||
| 2 | R | 42.7 | Very low | 42.7 | Very low | 212 Ų | 212 | 159 Ų | 159 | 80% | 0.8 | 83% | 0.832 | S | S | * | * | cis | -154.5 | 136.8 | 15.1 | -78.5 | 175.6 | 176.3 | 162.4 | -2.9 | 109.1 | ||||
| 3 | N | 41.4 | Very low | 43 | Very low | 152 Ų | 152 | 153.1 Ų | 153.1 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | 55.4 | 104.7 | 139.4 | -62.8 | -2.2 | 0 | 0 | 0 | 121.6 | ||||
| 4 | R | 51.2 | Low | 43.3 | Very low | 245 Ų | 245 | 146.2 Ų | 146.2 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -35.5 | 129.5 | 134.6 | -69.5 | 171.9 | 171.9 | 170 | -3.6 | 111.5 | ||||
| 5 | N | 38.4 | Very low | 43.9 | Very low | 143 Ų | 143 | 139.6 Ų | 139.6 | 77% | 0.765 | 77% | 0.768 | S | S | * | * | trans | -141.9 | 82.7 | 148.6 | -140.9 | 22.7 | 0 | 0 | 0 | 108.9 | M7 | N5-M7 PolarHBondContact O-N 3.37Š| ||
| 6 | M | 39.2 | Very low | 44.4 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 89% | 0.892 | 75% | 0.75 | S | S | * | * | trans | -66.3 | 109.5 | 157 | -85.8 | -162.5 | 177 | 0 | 0 | 106.6 | A8 | M6-A8 VanDerWaalsContact C-N 3.31Å; M6-A8 PolarHBondContact O-N 2.84Å | ||
| 7 | M | 42.1 | Very low | 45.2 | Very low | 171 Ų | 171 | 132 Ų | 132 | 84% | 0.842 | 73% | 0.73 | S | S | * | * | trans | -69.9 | 96.1 | 160.9 | -79.3 | -173.5 | 168.4 | 0 | 0 | 107.6 | N5 R9 | N5-M7 PolarHBondContact O-N 3.37Å; M7-R9 PolarHBondContact O-N 3.45Å | ||
| 8 | A | 43.7 | Very low | 46 | Very low | 91 Ų | 91 | 130.1 Ų | 130.1 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | trans | -60.1 | 118 | 163.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | M6 | M6-A8 VanDerWaalsContact C-N 3.31Å; M6-A8 PolarHBondContact O-N 2.84Å | ||
| 9 | R | 46.4 | Very low | 47 | Very low | 231 Ų | 231 | 129.8 Ų | 129.8 | 87% | 0.872 | 71% | 0.711 | S | S | * | * | trans | -58.6 | 136.6 | 162.7 | -86.8 | 167 | 65.7 | 176.5 | 0.3 | 107.9 | M7 A11 | M7-R9 PolarHBondContact O-N 3.45Å; R9-A11 PolarHBondContact O-N 3.22Å | ||
| 10 | P | 41.3 | Very low | 47.7 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | trans | -71 | 100.1 | 176.6 | 29.3 | -30.8 | 0 | 0 | 0 | 108.4 | G12 | P10-G12 PolarHBondContact O-N 3Å; P10-G12 VanDerWaalsContact O-N 3.09Å | ||
| 11 | A | 44.8 | Very low | 48.7 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 79% | 0.793 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 29.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R9 | R9-A11 PolarHBondContact O-N 3.22Š|
| 12 | G | 41.7 | Very low | 50.1 | Low | 67 Ų | 67 | 119.1 Ų | 119.1 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | -21.5 | -171 | 0 | 0 | 0 | 0 | 0 | 115.2 | P10 | P10-G12 PolarHBondContact O-N 3Å; P10-G12 VanDerWaalsContact O-N 3.09Å |
| 13 | S | 46.4 | Very low | 51.3 | Low | 82 Ų | 82 | 114.9 Ų | 114.9 | 57% | 0.573 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -101.7 | -29.4 | -175.9 | 65.1 | 0 | 0 | 0 | 0 | 114.5 | C16 L17 | S13-C16 PolarHBondContact O-N 2.81Å; S13-L17 PolarHBondContact O-N 2.8Å |
| 14 | A | 47.4 | Very low | 52.5 | Low | 57 Ų | 57 | 112.8 Ų | 112.8 | 47% | 0.471 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68 | -41.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C16 L17 D18 | A14-C16 VanDerWaalsContact C-N 3.33Å; A14-C16 PolarHBondContact O-N 3.23Å; A14-L17 PolarHBondContact O-N 2.76Å; A14-D18 PolarHBondContact O-N 2.85Å |
| 15 | G | 52.6 | Low | 53.4 | Low | 47 Ų | 47 | 105.6 Ų | 105.6 | 49% | 0.485 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.3 | -29.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q19 | G15-Q19 WeakPolarHBondContact O-CB 3.41Å; G15-Q19 PolarHBondContact O-N 2.81Å |
| 16 | C | 51.5 | Low | 55 | Low | 72 Ų | 72 | 100.8 Ų | 100.8 | 49% | 0.486 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -75.2 | -36.9 | 175.8 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | S13 A14 K20 | S13-C16 PolarHBondContact O-N 2.81Å; A14-C16 VanDerWaalsContact C-N 3.33Å; A14-C16 PolarHBondContact O-N 3.23Å; C16-K20 WeakPolarHBondContact O-CG 3.34Å; C16-K20 PolarHBondContact O-N 3.4Å; C16-K20 VanDerWaalsContact O-N 3.09Å |
| 17 | L | 58.5 | Low | 56.5 | Low | 78 Ų | 78 | 97.4 Ų | 97.4 | 41% | 0.408 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.4 | -46.4 | 175.4 | -78.1 | 159.6 | 0 | 0 | 0 | 111.4 | S13 A14 Q19 K20 V21 | S13-L17 PolarHBondContact O-N 2.8Å; A14-L17 PolarHBondContact O-N 2.76Å; L17-Q19 VanDerWaalsContact C-N 3.32Å; L17-Q19 PolarHBondContact O-N 2.99Å; L17-K20 PolarHBondContact O-N 2.96Å; L17-V21 WeakPolarHBondContact O-CG2 3.41Å; L17-V21 PolarHBondContact O-N 3.49Å |
| 18 | D | 60.1 | Low | 58 | Low | 97 Ų | 97 | 89.5 Ų | 89.5 | 52% | 0.519 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | 177 | -85.1 | -24.2 | 0 | 0 | 0 | 112.5 | A14 V21 L22 | A14-D18 PolarHBondContact O-N 2.85Å; D18-V21 PolarHBondContact O-N 3.11Å; D18-L22 WeakPolarHBondContact O-CB 3.49Å; D18-L22 WeakPolarHBondContact O-CG 3.44Å; D18-L22 PolarHBondContact O-N 3.06Å |
| 19 | Q | 63.8 | Low | 59.3 | Low | 125 Ų | 125 | 88.2 Ų | 88.2 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.8 | -35.4 | 177.9 | -165.9 | 164 | 10.5 | 0 | 0 | 112.4 | G15 L17 Q23 | G15-Q19 WeakPolarHBondContact O-CB 3.41Å; G15-Q19 PolarHBondContact O-N 2.81Å; L17-Q19 VanDerWaalsContact C-N 3.32Å; L17-Q19 PolarHBondContact O-N 2.99Å; Q19-Q23 VanDerWaalsContact O-CG 3.28Å; Q19-Q23 WeakPolarHBondContact O-CG 3.43Å; Q19-Q23 PolarHBondContact O-N 3.49Å; Q19-Q23 VanDerWaalsContact O-N 3.13Å |
| 20 | K | 62.3 | Low | 60.5 | Low | 111 Ų | 111 | 82.4 Ų | 82.4 | 48% | 0.483 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.4 | -43.2 | 171.9 | -74 | -166.8 | 179.3 | -170.9 | 0 | 111.5 | C16 L17 L22 Q23 Y24 | C16-K20 WeakPolarHBondContact O-CG 3.34Å; C16-K20 PolarHBondContact O-N 3.4Å; C16-K20 VanDerWaalsContact O-N 3.09Å; L17-K20 PolarHBondContact O-N 2.96Å; K20-L22 PolarHBondContact O-N 3.21Å; K20-Q23 PolarHBondContact O-N 3.03Å; K20-Y24 HydrophobicContact CB-CD2 4.3Å; K20-Y24 HydrophobicContact CB-CE2 4.09Å; K20-Y24 WeakPolarHBondContact O-CD2 3.18Å; K20-Y24 PolarHBondContact O-N 3.25Å |
| 21 | V | 67.8 | Low | 61.9 | Low | 13 Ų | 13 | 79.2 Ų | 79.2 | 8% | 0.079 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -56.3 | -49.1 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 110.5 | L17 D18 Q23 Y24 E25 L146 Q150 | L17-V21 WeakPolarHBondContact O-CG2 3.41Å; L17-V21 PolarHBondContact O-N 3.49Å; D18-V21 PolarHBondContact O-N 3.11Å; V21-Q23 VanDerWaalsContact C-N 3.33Å; V21-Q23 PolarHBondContact O-N 3.21Å; V21-Y24 CarbonylContact O-C 3.58Å; V21-Y24 PolarHBondContact O-N 2.99Å; V21-Y24 VanDerWaalsContact O-N 3.11Å; V21-E25 HydrophobicContact CG1-CG 4.32Å; V21-E25 WeakPolarHBondContact O-CG 3.42Å; V21-E25 PolarHBondContact O-N 2.91Å; V21-L146 HydrophobicContact CG2-CD2 4.02Å; V21-Q150 HydrophobicContact CG2-CG 4.48Å |
| 22 | L | 69.5 | Low | 63.2 | Low | 110 Ų | 110 | 75.5 Ų | 75.5 | 58% | 0.576 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60.7 | -40 | 177.6 | -76.1 | 163.8 | 0 | 0 | 0 | 112.6 | D18 K20 Y24 E25 A26 | D18-L22 WeakPolarHBondContact O-CB 3.49Å; D18-L22 WeakPolarHBondContact O-CG 3.44Å; D18-L22 PolarHBondContact O-N 3.06Å; K20-L22 PolarHBondContact O-N 3.21Å; L22-Y24 VanDerWaalsContact C-N 3.35Å; L22-E25 PolarHBondContact O-N 2.57Å; L22-A26 VanDerWaalsContact O-CB 3.28Å; L22-A26 WeakPolarHBondContact O-CB 3.39Å; L22-A26 PolarHBondContact O-N 2.91Å |
| 23 | Q | 68 | Low | 64.9 | Low | 122 Ų | 122 | 78.4 Ų | 78.4 | 57% | 0.57 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.5 | -37.7 | 174.8 | -74.3 | 175.9 | 5 | 0 | 0 | 112.2 | Q19 K20 V21 F27 | Q19-Q23 VanDerWaalsContact O-CG 3.28Å; Q19-Q23 WeakPolarHBondContact O-CG 3.43Å; Q19-Q23 PolarHBondContact O-N 3.49Å; Q19-Q23 VanDerWaalsContact O-N 3.13Å; K20-Q23 PolarHBondContact O-N 3.03Å; V21-Q23 VanDerWaalsContact C-N 3.33Å; V21-Q23 PolarHBondContact O-N 3.21Å; Q23-F27 VanDerWaalsContact O-CB 3.28Å; Q23-F27 WeakPolarHBondContact O-CB 3.47Å; Q23-F27 PolarHBondContact O-N 3.2Å |
| 24 | Y | 66.3 | Low | 66.6 | Low | 109 Ų | 109 | 82.7 Ų | 82.7 | 43% | 0.427 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -73.5 | -38 | 176.4 | -72.8 | -63.8 | 0 | 0 | 0 | 112.5 | K20 V21 L22 F27 I28 V142 L146 | K20-Y24 HydrophobicContact CB-CD2 4.3Å; K20-Y24 HydrophobicContact CB-CE2 4.09Å; K20-Y24 WeakPolarHBondContact O-CD2 3.18Å; K20-Y24 PolarHBondContact O-N 3.25Å; V21-Y24 CarbonylContact O-C 3.58Å; V21-Y24 PolarHBondContact O-N 2.99Å; V21-Y24 VanDerWaalsContact O-N 3.11Å; L22-Y24 VanDerWaalsContact C-N 3.35Å; Y24-F27 PolarHBondContact O-N 3.43Å; Y24-I28 WeakPolarHBondContact O-CB 3.44Å; Y24-I28 WeakPolarHBondContact O-CD1 3.36Å; Y24-I28 WeakPolarHBondContact O-CG1 3.06Å; Y24-I28 PolarHBondContact O-N 2.94Å; Y24-V142 HydrophobicContact CD1-CG1 4.24Å; Y24-V142 HydrophobicContact CG-CG1 4.47Å; Y24-L146 HydrophobicContact CD2-CD2 3.86Å; Y24-L146 HydrophobicContact CG-CD2 4.35Å |
| 25 | E | 69.4 | Low | 68 | Low | 94 Ų | 94 | 83.4 Ų | 83.4 | 44% | 0.439 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 172.6 | -75.6 | -173.8 | 161 | 0 | 0 | 111.6 | V21 L22 I28 N29 | V21-E25 HydrophobicContact CG1-CG 4.32Å; V21-E25 WeakPolarHBondContact O-CG 3.42Å; V21-E25 PolarHBondContact O-N 2.91Å; L22-E25 PolarHBondContact O-N 2.57Å; E25-I28 PolarHBondContact O-N 2.89Å; E25-N29 WeakPolarHBondContact O-CB 3.42Å; E25-N29 PolarHBondContact O-N 3.48Å; E25-N29 PolarHBondContact O-ND2 2.89Å |
| 26 | A | 72.6 | Confident | 69.2 | Low | 42 Ų | 42 | 82.7 Ų | 82.7 | 35% | 0.347 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L22 I28 N29 D30 | L22-A26 VanDerWaalsContact O-CB 3.28Å; L22-A26 WeakPolarHBondContact O-CB 3.39Å; L22-A26 PolarHBondContact O-N 2.91Å; A26-I28 PolarHBondContact O-N 2.94Å; A26-N29 PolarHBondContact O-N 3.47Å; A26-D30 WeakPolarHBondContact O-CB 3.5Å; A26-D30 PolarHBondContact O-N 3.48Å |
| 27 | F | 71.1 | Confident | 70.8 | Confident | 109 Ų | 109 | 86.1 Ų | 86.1 | 48% | 0.478 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.7 | -40.4 | 177.1 | -174.9 | -100.8 | 0 | 0 | 0 | 112.8 | Q23 Y24 V31 L32 | Q23-F27 VanDerWaalsContact O-CB 3.28Å; Q23-F27 WeakPolarHBondContact O-CB 3.47Å; Q23-F27 PolarHBondContact O-N 3.2Å; Y24-F27 PolarHBondContact O-N 3.43Å; F27-V31 HydrophobicContact CD2-CB 4.22Å; F27-V31 HydrophobicContact CD2-CG2 3.8Å; F27-V31 HydrophobicContact CE2-CB 4.09Å; F27-V31 HydrophobicContact CE2-CG1 4.23Å; F27-V31 HydrophobicContact CE2-CG2 3.88Å; F27-V31 HydrophobicContact CZ-CB 4.45Å; F27-V31 HydrophobicContact CZ-CG1 4.37Å; F27-V31 WeakPolarHBondContact O-CB 3.39Å; F27-V31 PolarHBondContact O-N 2.94Å; F27-L32 HydrophobicContact CD1-CD1 3.91Å; F27-L32 HydrophobicContact CE1-CD1 3.81Å; F27-L32 HydrophobicContact CE1-CG 4.28Å; F27-L32 PolarHBondContact O-N 2.95Å |
| 28 | I | 72.4 | Confident | 72 | Confident | 5 Ų | 5 | 84.7 Ų | 84.7 | 3% | 0.026 | 41% | 0.405 | C | S | . | . | I | π-helix | trans | -64 | -47 | 175.1 | -71.9 | 162 | 0 | 0 | 0 | 110.9 | Y24 E25 A26 L32 R33 I139 V142 L143 | Y24-I28 WeakPolarHBondContact O-CB 3.44Å; Y24-I28 WeakPolarHBondContact O-CD1 3.36Å; Y24-I28 WeakPolarHBondContact O-CG1 3.06Å; Y24-I28 PolarHBondContact O-N 2.94Å; E25-I28 PolarHBondContact O-N 2.89Å; A26-I28 PolarHBondContact O-N 2.94Å; I28-L32 HydrophobicContact CG1-CD1 4.03Å; I28-L32 PolarHBondContact O-N 3.33Å; I28-R33 WeakPolarHBondContact O-CG 3.5Å; I28-R33 PolarHBondContact O-N 3.45Å; I28-I139 HydrophobicContact CG2-CG2 3.93Å; I28-V142 HydrophobicContact CD1-CB 4.19Å; I28-V142 HydrophobicContact CD1-CG1 3.73Å; I28-V142 HydrophobicContact CG1-CG1 4.36Å; I28-L143 HydrophobicContact CD1-CD2 3.76Å; I28-L143 HydrophobicContact CD1-CG 4.02Å |
| 29 | N | 72.2 | Confident | 73.1 | Confident | 64 Ų | 64 | 81.1 Ų | 81.1 | 34% | 0.342 | 39% | 0.387 | S | S | . | . | I | π-helix | trans | -73.2 | -41.4 | -177.1 | -85.1 | -47.2 | 0 | 0 | 0 | 113.5 | E25 A26 R33 | E25-N29 WeakPolarHBondContact O-CB 3.42Å; E25-N29 PolarHBondContact O-N 3.48Å; E25-N29 PolarHBondContact O-ND2 2.89Å; A26-N29 PolarHBondContact O-N 3.47Å; N29-R33 WeakPolarHBondContact O-CB 3.42Å; N29-R33 WeakPolarHBondContact OD1-CD 2.96Å; N29-R33 PolarHBondContact OD1-NE 3.33Å; N29-R33 PolarHBondContact OD1-NH1 3.5Å |
| 30 | D | 69.8 | Low | 73.9 | Confident | 110 Ų | 110 | 77.3 Ų | 77.3 | 59% | 0.588 | 37% | 0.372 | S | S | * | . | I | π-helix | trans | -88.6 | -33.1 | -170 | -66.6 | -20.2 | 0 | 0 | 0 | 112.6 | A26 R34 | A26-D30 WeakPolarHBondContact O-CB 3.5Å; A26-D30 PolarHBondContact O-N 3.48Å; D30-R34 WeakPolarHBondContact O-CB 3.46Å |
| 31 | V | 72.5 | Confident | 75.2 | Confident | 54 Ų | 54 | 77.2 Ų | 77.2 | 33% | 0.327 | 37% | 0.373 | S | S | . | . | I | π-helix | trans | -103.6 | -66.3 | -178.8 | -172.9 | 0 | 0 | 0 | 0 | 109.9 | F27 R33 R34 D35 | F27-V31 HydrophobicContact CD2-CB 4.22Å; F27-V31 HydrophobicContact CD2-CG2 3.8Å; F27-V31 HydrophobicContact CE2-CB 4.09Å; F27-V31 HydrophobicContact CE2-CG1 4.23Å; F27-V31 HydrophobicContact CE2-CG2 3.88Å; F27-V31 HydrophobicContact CZ-CB 4.45Å; F27-V31 HydrophobicContact CZ-CG1 4.37Å; F27-V31 WeakPolarHBondContact O-CB 3.39Å; F27-V31 PolarHBondContact O-N 2.94Å; V31-R33 PolarHBondContact O-N 3.32Å; V31-R34 WeakPolarHBondContact O-CB 3.47Å; V31-R34 PolarHBondContact O-N 3.49Å; V31-R34 VanDerWaalsContact O-N 3.12Å; V31-D35 WeakPolarHBondContact O-CB 3.41Å; V31-D35 VanDerWaalsContact O-CG 3.24Å; V31-D35 PolarHBondContact O-N 3.31Å |
| 32 | L | 71.7 | Confident | 76.1 | Confident | 18 Ų | 18 | 80.5 Ų | 80.5 | 9% | 0.094 | 39% | 0.388 | C | S | . | . | I | π-helix | trans | -65.9 | -40 | -169.6 | -74.6 | 152.8 | 0 | 0 | 0 | 113.5 | F27 I28 L36 I135 H138 I139 | F27-L32 HydrophobicContact CD1-CD1 3.91Å; F27-L32 HydrophobicContact CE1-CD1 3.81Å; F27-L32 HydrophobicContact CE1-CG 4.28Å; F27-L32 PolarHBondContact O-N 2.95Å; I28-L32 HydrophobicContact CG1-CD1 4.03Å; I28-L32 PolarHBondContact O-N 3.33Å; L32-L36 VanDerWaalsContact O-CB 3.31Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 PolarHBondContact O-N 3Å; L32-I135 HydrophobicContact CB-CG2 4.48Å; L32-I135 HydrophobicContact CD2-CG2 3.91Å; L32-H138 HydrophobicContact CD2-CB 4.37Å; L32-I139 HydrophobicContact CB-CD1 3.8Å; L32-I139 HydrophobicContact CB-CG1 3.52Å; L32-I139 HydrophobicContact CD1-CG1 3.97Å; L32-I139 HydrophobicContact CD2-CG1 4.08Å; L32-I139 HydrophobicContact CG-CG1 4.07Å |
| 33 | R | 76.2 | Confident | 76.8 | Confident | 127 Ų | 127 | 79.1 Ų | 79.1 | 48% | 0.479 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -71.9 | -32.5 | 174.6 | -72.7 | -173.8 | -179.8 | -175.2 | -8.6 | 112.5 | I28 N29 V31 R37 | I28-R33 WeakPolarHBondContact O-CG 3.5Å; I28-R33 PolarHBondContact O-N 3.45Å; N29-R33 WeakPolarHBondContact O-CB 3.42Å; N29-R33 WeakPolarHBondContact OD1-CD 2.96Å; N29-R33 PolarHBondContact OD1-NE 3.33Å; N29-R33 PolarHBondContact OD1-NH1 3.5Å; V31-R33 PolarHBondContact O-N 3.32Å; R33-R37 WeakPolarHBondContact O-CG 3.21Å; R33-R37 PolarHBondContact O-N 3.26Å |
| 34 | R | 82.3 | Confident | 77.8 | Confident | 173 Ų | 173 | 76.9 Ų | 76.9 | 65% | 0.653 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -67.9 | -46.5 | 174.8 | -177 | -179.1 | 177.8 | 173 | -0.8 | 110.8 | D30 V31 L36 R37 A38 | D30-R34 WeakPolarHBondContact O-CB 3.46Å; V31-R34 WeakPolarHBondContact O-CB 3.47Å; V31-R34 PolarHBondContact O-N 3.49Å; V31-R34 VanDerWaalsContact O-N 3.12Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-L36 PolarHBondContact O-N 3.21Å; R34-R37 WeakPolarHBondContact O-CB 3.38Å; R34-R37 PolarHBondContact O-N 2.9Å; R34-A38 PolarHBondContact O-N 2.99Å |
| 35 | D | 78.3 | Confident | 78.9 | Confident | 71 Ų | 71 | 79.3 Ų | 79.3 | 38% | 0.38 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.4 | -42.4 | 176.9 | -69.4 | -12.1 | 0 | 0 | 0 | 110.8 | V31 R37 A38 V39 I135 | V31-D35 WeakPolarHBondContact O-CB 3.41Å; V31-D35 VanDerWaalsContact O-CG 3.24Å; V31-D35 PolarHBondContact O-N 3.31Å; D35-R37 VanDerWaalsContact C-N 3.35Å; D35-R37 PolarHBondContact O-N 3.47Å; D35-A38 PolarHBondContact O-N 3.15Å; D35-V39 VanDerWaalsContact O-CG2 3.3Å; D35-V39 WeakPolarHBondContact O-CG2 3.48Å; D35-V39 PolarHBondContact O-N 2.92Å; D35-I135 HydrophobicContact CB-CD1 4.23Å |
| 36 | L | 77.4 | Confident | 79.8 | Confident | 33 Ų | 33 | 75.6 Ų | 75.6 | 17% | 0.173 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 174.8 | -178.8 | 62.1 | 0 | 0 | 0 | 111.9 | L32 R34 V39 V40 A132 I135 K136 | L32-L36 VanDerWaalsContact O-CB 3.31Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 PolarHBondContact O-N 3Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-L36 PolarHBondContact O-N 3.21Å; L36-V39 PolarHBondContact O-N 3.46Å; L36-V40 HydrophobicContact CD1-CG2 4.38Å; L36-V40 VanDerWaalsContact O-CG2 3.27Å; L36-V40 WeakPolarHBondContact O-CG2 3.21Å; L36-V40 PolarHBondContact O-N 3.05Å; L36-A132 HydrophobicContact CD1-CB 4.01Å; L36-I135 HydrophobicContact CB-CG2 4.12Å; L36-K136 HydrophobicContact CD1-CG 4.09Å; L36-K136 HydrophobicContact CD2-CG 3.99Å |
| 37 | R | 84.3 | Confident | 80.4 | Confident | 143 Ų | 143 | 79 Ų | 79 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 174.8 | -80.4 | -174.7 | -69.9 | -105.5 | -2.4 | 111.3 | R33 R34 D35 V39 V40 E41 | R33-R37 WeakPolarHBondContact O-CG 3.21Å; R33-R37 PolarHBondContact O-N 3.26Å; R34-R37 WeakPolarHBondContact O-CB 3.38Å; R34-R37 PolarHBondContact O-N 2.9Å; D35-R37 VanDerWaalsContact C-N 3.35Å; D35-R37 PolarHBondContact O-N 3.47Å; R37-V39 PolarHBondContact O-N 2.9Å; R37-V40 PolarHBondContact O-N 3.19Å; R37-E41 WeakPolarHBondContact O-CG 3.48Å; R37-E41 PolarHBondContact O-N 3.21Å |
| 38 | A | 85 | Confident | 81.3 | Confident | 49 Ų | 49 | 79.4 Ų | 79.4 | 41% | 0.405 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R34 D35 E41 Q42 | R34-A38 PolarHBondContact O-N 2.99Å; D35-A38 PolarHBondContact O-N 3.15Å; A38-E41 PolarHBondContact O-N 3Å; A38-Q42 VanDerWaalsContact O-CB 3.3Å; A38-Q42 WeakPolarHBondContact O-CB 3.48Å; A38-Q42 PolarHBondContact O-N 2.91Å |
| 39 | V | 83.4 | Confident | 82 | Confident | 22 Ų | 22 | 84.8 Ų | 84.8 | 13% | 0.133 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 176.9 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | D35 L36 R37 Q42 R43 L128 A132 I135 | D35-V39 VanDerWaalsContact O-CG2 3.3Å; D35-V39 WeakPolarHBondContact O-CG2 3.48Å; D35-V39 PolarHBondContact O-N 2.92Å; L36-V39 PolarHBondContact O-N 3.46Å; R37-V39 PolarHBondContact O-N 2.9Å; V39-Q42 PolarHBondContact O-N 2.77Å; V39-R43 WeakPolarHBondContact O-CB 3.4Å; V39-R43 PolarHBondContact O-N 3.44Å; V39-L128 HydrophobicContact CG1-CB 4.16Å; V39-L128 HydrophobicContact CG1-CD2 4.2Å; V39-L128 WeakPolarHBondContact CG1-O 3.11Å; V39-A132 HydrophobicContact CG1-CB 3.87Å; V39-I135 HydrophobicContact CG2-CD1 4.15Å |
| 40 | V | 80.1 | Confident | 82.7 | Confident | 45 Ų | 45 | 83.2 Ų | 83.2 | 27% | 0.273 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.4 | -46.8 | 176.5 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | L36 R37 Q42 R43 D44 | L36-V40 HydrophobicContact CD1-CG2 4.38Å; L36-V40 VanDerWaalsContact O-CG2 3.27Å; L36-V40 WeakPolarHBondContact O-CG2 3.21Å; L36-V40 PolarHBondContact O-N 3.05Å; R37-V40 PolarHBondContact O-N 3.19Å; V40-Q42 VanDerWaalsContact C-N 3.31Å; V40-Q42 PolarHBondContact O-N 3.28Å; V40-R43 WeakPolarHBondContact O-CB 3.43Å; V40-R43 PolarHBondContact O-N 3.06Å; V40-R43 VanDerWaalsContact O-N 3.17Å; V40-D44 PolarHBondContact O-N 3.5Å |
| 41 | E | 89 | Confident | 83.6 | Confident | 108 Ų | 108 | 80.5 Ų | 80.5 | 51% | 0.505 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 175.9 | -75.1 | 179 | -174.8 | 0 | 0 | 112 | R37 A38 R43 D44 R45 | R37-E41 WeakPolarHBondContact O-CG 3.48Å; R37-E41 PolarHBondContact O-N 3.21Å; A38-E41 PolarHBondContact O-N 3Å; E41-R43 VanDerWaalsContact C-N 3.32Å; E41-R43 PolarHBondContact O-N 2.93Å; E41-D44 PolarHBondContact O-N 2.96Å; E41-R45 WeakPolarHBondContact O-CG 3.48Å; E41-R45 PolarHBondContact O-N 3.21Å |
| 42 | Q | 86.3 | Confident | 84.4 | Confident | 83 Ų | 83 | 83 Ų | 83 | 39% | 0.388 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 176.3 | -175.2 | 175.9 | -6 | 0 | 0 | 111.3 | A38 V39 V40 R45 L46 F124 L128 | A38-Q42 VanDerWaalsContact O-CB 3.3Å; A38-Q42 WeakPolarHBondContact O-CB 3.48Å; A38-Q42 PolarHBondContact O-N 2.91Å; V39-Q42 PolarHBondContact O-N 2.77Å; V40-Q42 VanDerWaalsContact C-N 3.31Å; V40-Q42 PolarHBondContact O-N 3.28Å; Q42-R45 PolarHBondContact O-N 3.25Å; Q42-L46 VanDerWaalsContact O-CG 3.31Å; Q42-L46 WeakPolarHBondContact O-CG 3.32Å; Q42-L46 PolarHBondContact O-N 2.89Å; Q42-F124 VanDerWaalsContact NE2-CZ 3.34Å; Q42-L128 HydrophobicContact CB-CD1 4.42Å; Q42-L128 HydrophobicContact CG-CD1 3.91Å |
| 43 | R | 85.1 | Confident | 85.2 | Confident | 80 Ų | 80 | 84.6 Ų | 84.6 | 30% | 0.302 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 174.6 | -172.9 | -156.7 | 64.9 | -180 | -3.9 | 111.6 | V39 V40 E41 R45 L46 Y47 T125 L128 | V39-R43 WeakPolarHBondContact O-CB 3.4Å; V39-R43 PolarHBondContact O-N 3.44Å; V40-R43 WeakPolarHBondContact O-CB 3.43Å; V40-R43 PolarHBondContact O-N 3.06Å; V40-R43 VanDerWaalsContact O-N 3.17Å; E41-R43 VanDerWaalsContact C-N 3.32Å; E41-R43 PolarHBondContact O-N 2.93Å; R43-R45 PolarHBondContact O-N 3.22Å; R43-L46 WeakPolarHBondContact O-CB 3.43Å; R43-L46 PolarHBondContact O-N 2.85Å; R43-L46 VanDerWaalsContact O-N 3.09Å; R43-Y47 HydrophobicContact CG-CD2 3.95Å; R43-Y47 HydrophobicContact CG-CE2 3.57Å; R43-Y47 WeakPolarHBondContact O-CD2 3.37Å; R43-Y47 PolarHBondContact O-N 3.27Å; R43-T125 HydrophobicContact CG-CG2 3.99Å; R43-L128 HydrophobicContact CB-CD1 4.49Å |
| 44 | D | 87.8 | Confident | 85.8 | Confident | 75 Ų | 75 | 83.5 Ų | 83.5 | 40% | 0.401 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | -178.6 | -64.2 | -11.7 | 0 | 0 | 0 | 111.4 | V40 E41 L46 Y47 E48 | V40-D44 PolarHBondContact O-N 3.5Å; E41-D44 PolarHBondContact O-N 2.96Å; D44-L46 PolarHBondContact O-N 3.42Å; D44-Y47 PolarHBondContact O-N 3.41Å; D44-Y47 VanDerWaalsContact O-N 3.17Å; D44-E48 PolarHBondContact O-N 3.1Å |
| 45 | R | 89.3 | Confident | 86.1 | Confident | 161 Ų | 161 | 80.9 Ų | 80.9 | 61% | 0.608 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.7 | -32.3 | 171.6 | -69.9 | 176.4 | -174.3 | 179 | 5.4 | 113.3 | E41 Q42 R43 K49 | E41-R45 WeakPolarHBondContact O-CG 3.48Å; E41-R45 PolarHBondContact O-N 3.21Å; Q42-R45 PolarHBondContact O-N 3.25Å; R43-R45 PolarHBondContact O-N 3.22Å; R45-K49 WeakPolarHBondContact O-CG 3.33Å; R45-K49 PolarHBondContact O-N 3.14Å |
| 46 | L | 88.4 | Confident | 86.6 | Confident | 15 Ų | 15 | 80.2 Ų | 80.2 | 8% | 0.079 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -73.3 | -41 | 175.7 | -64.6 | 162.4 | 0 | 0 | 0 | 110.9 | Q42 R43 D44 E48 K49 M50 L121 F124 L128 | Q42-L46 VanDerWaalsContact O-CG 3.31Å; Q42-L46 WeakPolarHBondContact O-CG 3.32Å; Q42-L46 PolarHBondContact O-N 2.89Å; R43-L46 WeakPolarHBondContact O-CB 3.43Å; R43-L46 PolarHBondContact O-N 2.85Å; R43-L46 VanDerWaalsContact O-N 3.09Å; D44-L46 PolarHBondContact O-N 3.42Å; L46-E48 VanDerWaalsContact C-N 3.32Å; L46-E48 PolarHBondContact O-N 3.06Å; L46-K49 WeakPolarHBondContact O-CB 3.45Å; L46-K49 PolarHBondContact O-N 3.39Å; L46-M50 VanDerWaalsContact O-CG 3.26Å; L46-M50 WeakPolarHBondContact O-CG 3.23Å; L46-M50 PolarHBondContact O-N 2.94Å; L46-L121 HydrophobicContact CD2-CD2 3.54Å; L46-F124 HydrophobicContact CD1-CD1 3.29Å; L46-F124 HydrophobicContact CD1-CE1 3.71Å; L46-F124 HydrophobicContact CD1-CG 4.4Å; L46-F124 HydrophobicContact CD2-CD1 3.82Å; L46-F124 HydrophobicContact CD2-CE1 4.23Å; L46-F124 HydrophobicContact CG-CD1 4.18Å; L46-L128 HydrophobicContact CD1-CD1 3.36Å |
| 47 | Y | 85.8 | Confident | 87.1 | Confident | 114 Ų | 114 | 81.2 Ų | 81.2 | 45% | 0.447 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 175.1 | -79.3 | -59.1 | 0 | 0 | 0 | 112.6 | R43 D44 K49 M50 S51 T125 | R43-Y47 HydrophobicContact CG-CD2 3.95Å; R43-Y47 HydrophobicContact CG-CE2 3.57Å; R43-Y47 WeakPolarHBondContact O-CD2 3.37Å; R43-Y47 PolarHBondContact O-N 3.27Å; D44-Y47 PolarHBondContact O-N 3.41Å; D44-Y47 VanDerWaalsContact O-N 3.17Å; Y47-K49 PolarHBondContact O-N 3.15Å; Y47-M50 HydrophobicContact CD1-SD 4.06Å; Y47-M50 HydrophobicContact CE1-SD 4.41Å; Y47-M50 PolarHBondContact O-N 2.94Å; Y47-S51 PolarHBondContact O-N 3.31Å; Y47-T125 HydrophobicContact CE1-CG2 4.11Å; Y47-T125 HydrophobicContact CE2-CG2 3.96Å; Y47-T125 WeakPolarHBondContact OH-CG2 3.2Å |
| 48 | E | 90.1 | Very high | 87.4 | Confident | 118 Ų | 118 | 78.2 Ų | 78.2 | 55% | 0.551 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -59.4 | -46.4 | 173.1 | -172 | 177.2 | -161.3 | 0 | 0 | 111.1 | D44 L46 M50 S51 H52 | D44-E48 PolarHBondContact O-N 3.1Å; L46-E48 VanDerWaalsContact C-N 3.32Å; L46-E48 PolarHBondContact O-N 3.06Å; E48-M50 PolarHBondContact O-N 2.92Å; E48-S51 WeakPolarHBondContact O-CB 3.44Å; E48-S51 PolarHBondContact O-N 3.25Å; E48-S51 VanDerWaalsContact O-N 3.15Å; E48-H52 PolarHBondContact O-N 3.48Å |
| 49 | K | 87 | Confident | 87.5 | Confident | 117 Ų | 117 | 78.5 Ų | 78.5 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 173.6 | -71.4 | 175.2 | -179.1 | -177.8 | 0 | 112.4 | R45 L46 Y47 S51 H52 Y53 L121 | R45-K49 WeakPolarHBondContact O-CG 3.33Å; R45-K49 PolarHBondContact O-N 3.14Å; L46-K49 WeakPolarHBondContact O-CB 3.45Å; L46-K49 PolarHBondContact O-N 3.39Å; Y47-K49 PolarHBondContact O-N 3.15Å; K49-S51 VanDerWaalsContact C-N 3.27Å; K49-S51 PolarHBondContact O-N 2.85Å; K49-H52 PolarHBondContact O-N 3.43Å; K49-Y53 WeakPolarHBondContact O-CD2 3.12Å; K49-Y53 PolarHBondContact O-N 3.41Å; K49-L121 HydrophobicContact CB-CD1 4.46Å |
| 50 | M | 87.4 | Confident | 87.7 | Confident | 31 Ų | 31 | 77.7 Ų | 77.7 | 15% | 0.153 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.9 | -37.4 | 176.2 | -68.2 | 171.1 | 98.5 | 0 | 0 | 111.3 | L46 Y47 E48 Y53 L54 T118 L121 T122 | L46-M50 VanDerWaalsContact O-CG 3.26Å; L46-M50 WeakPolarHBondContact O-CG 3.23Å; L46-M50 PolarHBondContact O-N 2.94Å; Y47-M50 HydrophobicContact CD1-SD 4.06Å; Y47-M50 HydrophobicContact CE1-SD 4.41Å; Y47-M50 PolarHBondContact O-N 2.94Å; E48-M50 PolarHBondContact O-N 2.92Å; M50-Y53 PolarHBondContact O-N 3.47Å; M50-L54 PolarHBondContact O-N 3.27Å; M50-T118 HydrophobicContact CE-CG2 4.14Å; M50-L121 HydrophobicContact CE-CB 4.07Å; M50-L121 HydrophobicContact CG-CB 3.72Å; M50-L121 HydrophobicContact CG-CD1 3.79Å; M50-L121 HydrophobicContact CG-CG 4.33Å; M50-L121 HydrophobicContact SD-CB 3.99Å; M50-T122 WeakPolarHBondContact CE-OG1 3.47Å |
| 51 | S | 89.3 | Confident | 88 | Confident | 54 Ų | 54 | 79.1 Ų | 79.1 | 38% | 0.378 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.5 | -45.4 | 174.8 | -171.1 | 0 | 0 | 0 | 0 | 111.8 | Y47 E48 K49 Y53 L54 Q55 | Y47-S51 PolarHBondContact O-N 3.31Å; E48-S51 WeakPolarHBondContact O-CB 3.44Å; E48-S51 PolarHBondContact O-N 3.25Å; E48-S51 VanDerWaalsContact O-N 3.15Å; K49-S51 VanDerWaalsContact C-N 3.27Å; K49-S51 PolarHBondContact O-N 2.85Å; S51-Y53 VanDerWaalsContact C-N 3.31Å; S51-Y53 PolarHBondContact O-N 2.82Å; S51-L54 WeakPolarHBondContact O-CB 3.39Å; S51-L54 PolarHBondContact O-N 3.01Å; S51-L54 VanDerWaalsContact O-N 3.14Å; S51-Q55 WeakPolarHBondContact O-CG 3.44Å; S51-Q55 PolarHBondContact O-N 3.02Å |
| 52 | H | 88.3 | Confident | 87.8 | Confident | 106 Ų | 106 | 77.4 Ų | 77.4 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 175.2 | -65.7 | 173.7 | 0 | 0 | 0 | 112.2 | E48 K49 Q55 L56 | E48-H52 PolarHBondContact O-N 3.48Å; K49-H52 PolarHBondContact O-N 3.43Å; H52-Q55 PolarHBondContact O-N 3.09Å; H52-L56 WeakPolarHBondContact O-CB 3.37Å; H52-L56 PolarHBondContact O-N 2.78Å |
| 53 | Y | 88.1 | Confident | 87.7 | Confident | 52 Ų | 52 | 74.9 Ų | 74.9 | 20% | 0.204 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65 | -37.5 | 175 | -79.3 | -60 | 0 | 0 | 0 | 112.7 | K49 M50 S51 L56 K57 I114 K117 L121 | K49-Y53 WeakPolarHBondContact O-CD2 3.12Å; K49-Y53 PolarHBondContact O-N 3.41Å; M50-Y53 PolarHBondContact O-N 3.47Å; S51-Y53 VanDerWaalsContact C-N 3.31Å; S51-Y53 PolarHBondContact O-N 2.82Å; Y53-L56 PolarHBondContact O-N 2.73Å; Y53-K57 WeakPolarHBondContact O-CB 3.45Å; Y53-K57 PolarHBondContact O-N 3.48Å; Y53-I114 HydrophobicContact CD1-CG1 4.24Å; Y53-I114 HydrophobicContact CD1-CG2 4.35Å; Y53-K117 HydrophobicContact CE1-CB 4.37Å; Y53-K117 HydrophobicContact CE2-CB 4.41Å; Y53-L121 HydrophobicContact CD2-CD1 3.66Å; Y53-L121 HydrophobicContact CE2-CD1 3.68Å |
| 54 | L | 88.9 | Confident | 87.6 | Confident | 104 Ų | 104 | 74.5 Ų | 74.5 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 175.2 | -166.1 | 98 | 0 | 0 | 0 | 111.5 | M50 S51 L56 K57 N58 | M50-L54 PolarHBondContact O-N 3.27Å; S51-L54 WeakPolarHBondContact O-CB 3.39Å; S51-L54 PolarHBondContact O-N 3.01Å; S51-L54 VanDerWaalsContact O-N 3.14Å; L54-L56 VanDerWaalsContact C-N 3.33Å; L54-L56 PolarHBondContact O-N 3.27Å; L54-K57 WeakPolarHBondContact O-CB 3.47Å; L54-K57 PolarHBondContact O-N 2.89Å; L54-N58 PolarHBondContact O-N 3.3Å |
| 55 | Q | 89.3 | Confident | 87.2 | Confident | 117 Ų | 117 | 78.8 Ų | 78.8 | 55% | 0.547 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.1 | -44.4 | 174.9 | -71 | 172.8 | -4.5 | 0 | 0 | 111.3 | S51 H52 K57 N58 A59 | S51-Q55 WeakPolarHBondContact O-CG 3.44Å; S51-Q55 PolarHBondContact O-N 3.02Å; H52-Q55 PolarHBondContact O-N 3.09Å; Q55-K57 VanDerWaalsContact C-N 3.34Å; Q55-K57 PolarHBondContact O-N 3.22Å; Q55-N58 PolarHBondContact O-N 3.28Å; Q55-A59 WeakPolarHBondContact O-CB 3.38Å; Q55-A59 PolarHBondContact O-N 3.45Å |
| 56 | L | 88.1 | Confident | 86.5 | Confident | 58 Ų | 58 | 73.8 Ų | 73.8 | 30% | 0.304 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61 | -43 | 175.9 | -178.4 | 62.4 | 0 | 0 | 0 | 111.5 | H52 Y53 L54 N58 A59 I60 I114 | H52-L56 WeakPolarHBondContact O-CB 3.37Å; H52-L56 PolarHBondContact O-N 2.78Å; Y53-L56 PolarHBondContact O-N 2.73Å; L54-L56 VanDerWaalsContact C-N 3.33Å; L54-L56 PolarHBondContact O-N 3.27Å; L56-N58 PolarHBondContact O-N 2.83Å; L56-A59 PolarHBondContact O-N 2.89Å; L56-I60 HydrophobicContact CD1-CD1 4.12Å; L56-I60 HydrophobicContact CD1-CG1 4.34Å; L56-I60 HydrophobicContact CG-CD1 3.89Å; L56-I60 WeakPolarHBondContact O-CG1 3.3Å; L56-I60 PolarHBondContact O-N 3.34Å; L56-I114 HydrophobicContact CB-CD1 4.31Å; L56-I114 HydrophobicContact CD2-CD1 3.73Å; L56-I114 HydrophobicContact CD2-CG1 4.12Å; L56-I114 HydrophobicContact CG-CD1 3.75Å |
| 57 | K | 89.3 | Confident | 85.5 | Confident | 54 Ų | 54 | 74.2 Ų | 74.2 | 24% | 0.235 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 176.5 | -176.3 | 170 | -176.3 | 165 | 0 | 111.8 | Y53 L54 Q55 A59 I60 Q61 L111 I114 D115 | Y53-K57 WeakPolarHBondContact O-CB 3.45Å; Y53-K57 PolarHBondContact O-N 3.48Å; L54-K57 WeakPolarHBondContact O-CB 3.47Å; L54-K57 PolarHBondContact O-N 2.89Å; Q55-K57 VanDerWaalsContact C-N 3.34Å; Q55-K57 PolarHBondContact O-N 3.22Å; K57-A59 PolarHBondContact O-N 3.4Å; K57-I60 PolarHBondContact O-N 3.21Å; K57-Q61 WeakPolarHBondContact O-CG 3.45Å; K57-Q61 PolarHBondContact O-N 2.95Å; K57-L111 HydrophobicContact CG-CD2 3.78Å; K57-I114 HydrophobicContact CB-CD1 4.49Å; K57-I114 HydrophobicContact CB-CG2 4.27Å; K57-D115 IonicContact NZ-OD1 2.75Å; K57-D115 PolarHBondContact NZ-OD1 3.35Å; K57-D115 IonicContact NZ-OD2 3.8Å |
| 58 | N | 89.9 | Confident | 84.5 | Confident | 79 Ų | 79 | 74 Ų | 74 | 42% | 0.422 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 178.3 | -67.3 | -14.3 | 0 | 0 | 0 | 111.2 | L54 Q55 L56 I60 Q61 S62 | L54-N58 PolarHBondContact O-N 3.3Å; Q55-N58 PolarHBondContact O-N 3.28Å; L56-N58 PolarHBondContact O-N 2.83Å; N58-I60 VanDerWaalsContact C-N 3.35Å; N58-I60 PolarHBondContact O-N 3.3Å; N58-Q61 PolarHBondContact O-N 3.47Å; N58-S62 PolarHBondContact O-N 3.34Å; N58-S62 PolarHBondContact O-OG 3.18Å |
| 59 | A | 86.9 | Confident | 83.4 | Confident | 56 Ų | 56 | 76 Ų | 76 | 46% | 0.463 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q55 L56 K57 S62 L63 | Q55-A59 WeakPolarHBondContact O-CB 3.38Å; Q55-A59 PolarHBondContact O-N 3.45Å; L56-A59 PolarHBondContact O-N 2.89Å; K57-A59 PolarHBondContact O-N 3.4Å; A59-S62 PolarHBondContact O-N 3.46Å; A59-L63 WeakPolarHBondContact O-CB 3.33Å; A59-L63 PolarHBondContact O-N 3.21Å |
| 60 | I | 87.3 | Confident | 82.4 | Confident | 4 Ų | 4 | 76.1 Ų | 76.1 | 2% | 0.021 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 175.8 | -69.7 | 169.1 | 0 | 0 | 0 | 110.9 | L56 K57 N58 L63 E64 I93 H107 A110 L111 I114 | L56-I60 HydrophobicContact CD1-CD1 4.12Å; L56-I60 HydrophobicContact CD1-CG1 4.34Å; L56-I60 HydrophobicContact CG-CD1 3.89Å; L56-I60 WeakPolarHBondContact O-CG1 3.3Å; L56-I60 PolarHBondContact O-N 3.34Å; K57-I60 PolarHBondContact O-N 3.21Å; N58-I60 VanDerWaalsContact C-N 3.35Å; N58-I60 PolarHBondContact O-N 3.3Å; I60-L63 WeakPolarHBondContact O-CB 3.26Å; I60-L63 PolarHBondContact O-N 2.85Å; I60-E64 PolarHBondContact O-N 2.9Å; I60-I93 HydrophobicContact CD1-CD1 3.49Å; I60-I93 VanDerWaalsContact CD1-CD1 3.49Å; I60-I93 HydrophobicContact CG1-CD1 3.7Å; I60-H107 HydrophobicContact CG2-CB 3.92Å; I60-A110 HydrophobicContact CD1-CB 3.82Å; I60-L111 HydrophobicContact CB-CD2 4.46Å; I60-L111 HydrophobicContact CG2-CD1 4.5Å; I60-L111 HydrophobicContact CG2-CD2 3.98Å; I60-L111 HydrophobicContact CG2-CG 3.98Å; I60-I114 HydrophobicContact CD1-CD1 3.53Å |
| 61 | Q | 87.3 | Confident | 81.8 | Confident | 76 Ų | 76 | 77.4 Ų | 77.4 | 36% | 0.355 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 177.6 | -73.2 | 176.8 | -25.8 | 0 | 0 | 111.8 | K57 N58 L63 E64 E65 L111 | K57-Q61 WeakPolarHBondContact O-CG 3.45Å; K57-Q61 PolarHBondContact O-N 2.95Å; N58-Q61 PolarHBondContact O-N 3.47Å; Q61-L63 PolarHBondContact O-N 2.75Å; Q61-E64 PolarHBondContact O-N 3.21Å; Q61-E65 WeakPolarHBondContact O-CG 3.46Å; Q61-E65 PolarHBondContact O-N 3.17Å; Q61-L111 HydrophobicContact CG-CD2 4.4Å |
| 62 | S | 84.7 | Confident | 81.4 | Confident | 71 Ų | 71 | 80.8 Ų | 80.8 | 50% | 0.497 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.3 | -32.5 | 173.8 | -60.6 | 0 | 0 | 0 | 0 | 112.4 | N58 A59 A66 | N58-S62 PolarHBondContact O-N 3.34Å; N58-S62 PolarHBondContact O-OG 3.18Å; A59-S62 PolarHBondContact O-N 3.46Å; S62-A66 WeakPolarHBondContact O-CB 3.35Å; S62-A66 PolarHBondContact O-N 3.01Å |
| 63 | L | 83.1 | Confident | 81.1 | Confident | 31 Ų | 31 | 77.3 Ų | 77.3 | 16% | 0.162 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -72.6 | -38.9 | 175.5 | -168.7 | 60.9 | 0 | 0 | 0 | 112.2 | A59 I60 Q61 A66 L71 P90 I93 H107 | A59-L63 WeakPolarHBondContact O-CB 3.33Å; A59-L63 PolarHBondContact O-N 3.21Å; I60-L63 WeakPolarHBondContact O-CB 3.26Å; I60-L63 PolarHBondContact O-N 2.85Å; Q61-L63 PolarHBondContact O-N 2.75Å; L63-A66 PolarHBondContact O-N 2.88Å; L63-L71 HydrophobicContact CD1-CD1 4.1Å; L63-L71 HydrophobicContact CD1-CD2 3.82Å; L63-L71 HydrophobicContact CD1-CG 4.47Å; L63-P90 HydrophobicContact CD1-CB 3.78Å; L63-P90 HydrophobicContact CD2-CB 4.22Å; L63-P90 HydrophobicContact CG-CB 4.11Å; L63-I93 HydrophobicContact CD2-CG2 4.15Å; L63-H107 WeakPolarHBondContact CD2-NE2 3.48Å |
| 64 | E | 82.4 | Confident | 80.9 | Confident | 71 Ų | 71 | 80.2 Ų | 80.2 | 33% | 0.332 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 171.9 | -76.6 | -169.8 | 139.9 | 0 | 0 | 111.6 | I60 Q61 G67 H107 Q108 | I60-E64 PolarHBondContact O-N 2.9Å; Q61-E64 PolarHBondContact O-N 3.21Å; E64-G67 PolarHBondContact O-N 3.05Å; E64-H107 HydrophobicContact CG-CB 3.6Å; E64-H107 WeakPolarHBondContact OE1-CB 3.33Å; E64-H107 IonicContact OE1-CG 3.98Å; E64-Q108 PolarHBondContact OE1-NE2 3.27Å |
| 65 | E | 80.4 | Confident | 80.7 | Confident | 165 Ų | 165 | 78.5 Ų | 78.5 | 77% | 0.771 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -67.1 | -37 | 178 | -73.6 | 175.2 | -175.7 | 0 | 0 | 113.2 | Q61 G67 | Q61-E65 WeakPolarHBondContact O-CG 3.46Å; Q61-E65 PolarHBondContact O-N 3.17Å; E65-G67 PolarHBondContact O-N 3.44Å |
| 66 | A | 75.3 | Confident | 80.7 | Confident | 57 Ų | 57 | 76.8 Ų | 76.8 | 47% | 0.471 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.9 | -17.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S62 L63 | S62-A66 WeakPolarHBondContact O-CB 3.35Å; S62-A66 PolarHBondContact O-N 3.01Å; L63-A66 PolarHBondContact O-N 2.88Å |
| 67 | G | 67 | Low | 80.7 | Confident | 23 Ų | 23 | 79.6 Ų | 79.6 | 24% | 0.237 | 44% | 0.436 | C | S | . | . | trans | 72 | 179.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | E64 E65 Q69 | E64-G67 PolarHBondContact O-N 3.05Å; E65-G67 PolarHBondContact O-N 3.44Å; G67-Q69 PolarHBondContact O-N 3.48Å | ||
| 68 | P | 64.9 | Low | 80.6 | Confident | 109 Ų | 109 | 78.7 Ų | 78.7 | 71% | 0.708 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -75.1 | 21.2 | -174.8 | 31.6 | -35.9 | 0 | 0 | 0 | 114 | ||
| 69 | Q | 66.3 | Low | 80.4 | Confident | 160 Ų | 160 | 81.6 Ų | 81.6 | 75% | 0.748 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -82 | 149.9 | 179.5 | -122.7 | 157.7 | -11.4 | 0 | 0 | 110.4 | G67 L71 | G67-Q69 PolarHBondContact O-N 3.48Å; Q69-L71 PolarHBondContact O-N 2.9Å |
| 70 | Q | 67 | Low | 80.4 | Confident | 120 Ų | 120 | 83.5 Ų | 83.5 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | trans | -50.5 | 113.4 | -177.1 | -73.8 | 176.9 | 7 | 0 | 0 | 111.2 | K72 V87 | Q70-K72 PolarHBondContact O-N 2.86Å; Q70-V87 WeakPolarHBondContact CA-O 3.42Å | ||
| 71 | L | 74.8 | Confident | 80.7 | Confident | 59 Ų | 59 | 89.5 Ų | 89.5 | 31% | 0.309 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 122.2 | 178.5 | -172.2 | 79 | 0 | 0 | 0 | 108.6 | L63 Q69 A73 R86 V87 | L63-L71 HydrophobicContact CD1-CD1 4.1Å; L63-L71 HydrophobicContact CD1-CD2 3.82Å; L63-L71 HydrophobicContact CD1-CG 4.47Å; Q69-L71 PolarHBondContact O-N 2.9Å; L71-A73 HydrophobicContact CD2-CB 4.4Å; L71-R86 WeakPolarHBondContact O-CA 3.33Å; L71-V87 HydrophobicContact CB-CB 4.16Å; L71-V87 PolarHBondContact N-O 2.89Å; L71-V87 VanDerWaalsContact N-O 3.11Å; L71-V87 PolarHBondContact O-N 3.46Å |
| 72 | K | 80.1 | Confident | 80.8 | Confident | 125 Ų | 125 | 91.7 Ų | 91.7 | 54% | 0.543 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 119 | 166.2 | -65.9 | -177.8 | -176.5 | 172.6 | 0 | 107.6 | Q70 A85 R86 | Q70-K72 PolarHBondContact O-N 2.86Å; K72-A85 WeakPolarHBondContact CA-O 3.4Å; K72-R86 HydrophobicContact CG-CG 4.26Å |
| 73 | A | 81.5 | Confident | 81.1 | Confident | 32 Ų | 32 | 91.1 Ų | 91.1 | 26% | 0.264 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 134 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | L71 A85 | L71-A73 HydrophobicContact CD2-CB 4.4Å; A73-A85 PolarHBondContact N-O 3.29Å; A73-A85 PolarHBondContact O-N 3.42Å |
| 74 | D | 83.6 | Confident | 81.4 | Confident | 113 Ų | 113 | 95.2 Ų | 95.2 | 60% | 0.604 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 115.1 | 170.4 | -67.8 | -23.3 | 0 | 0 | 0 | 108.2 | ||
| 75 | V | 85.9 | Confident | 81.6 | Confident | 68 Ų | 68 | 93.4 Ų | 93.4 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 123.4 | -176.2 | -177 | 0 | 0 | 0 | 0 | 108.6 | L77 F82 V83 A85 | V75-L77 HydrophobicContact CG1-CD2 4.38Å; V75-F82 CarbonylContact O-C 3.59Å; V75-F82 WeakPolarHBondContact O-CA 3.35Å; V75-V83 PolarHBondContact N-O 3.49Å; V75-V83 PolarHBondContact O-N 3.17Å; V75-A85 HydrophobicContact CG2-CB 3.76Å |
| 76 | D | 88.9 | Confident | 81.7 | Confident | 81 Ų | 81 | 92.9 Ų | 92.9 | 43% | 0.433 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 123.9 | 172.4 | -166.9 | -6.4 | 0 | 0 | 0 | 109.9 | G78 F81 F82 | D76-G78 WeakPolarHBondContact OD1-CA 3.49Å; D76-G78 PolarHBondContact OD1-N 3.45Å; D76-F81 WeakPolarHBondContact CA-O 3.31Å; D76-F81 PolarHBondContact OD1-N 2.97Å; D76-F82 HydrophobicContact CB-CD1 3.81Å; D76-F82 HydrophobicContact CB-CE1 3.62Å; D76-F82 HydrophobicContact CB-CZ 4.4Å |
| 77 | L | 88.4 | Confident | 82 | Confident | 118 Ų | 118 | 92.9 Ų | 92.9 | 62% | 0.618 | 51% | 0.506 | S | S | * | . | trans | -96.1 | -3.4 | 174.6 | -55.9 | -175.5 | 0 | 0 | 0 | 112.5 | V75 F81 V83 | V75-L77 HydrophobicContact CG1-CD2 4.38Å; L77-F81 HydrophobicContact CB-CD1 4.13Å; L77-F81 HydrophobicContact CD1-CD1 4.03Å; L77-F81 HydrophobicContact CD1-CE1 4.05Å; L77-F81 HydrophobicContact CG-CD1 4.35Å; L77-F81 PolarHBondContact N-O 2.89Å; L77-V83 HydrophobicContact CD1-CB 4.11Å; L77-V83 HydrophobicContact CD1-CG2 3.41Å; L77-V83 VanDerWaalsContact CD1-CG2 3.41Å; L77-V83 HydrophobicContact CG-CB 4.39Å; L77-V83 HydrophobicContact CG-CG2 4.03Å | ||
| 78 | G | 86.1 | Confident | 82.4 | Confident | 35 Ų | 35 | 97.7 Ų | 97.7 | 36% | 0.361 | 53% | 0.526 | S | S | . | . | S | Bend | trans | 120.7 | 157 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D76 S80 F81 | D76-G78 WeakPolarHBondContact OD1-CA 3.49Å; D76-G78 PolarHBondContact OD1-N 3.45Å; G78-S80 PolarHBondContact O-N 2.9Å; G78-F81 WeakPolarHBondContact O-CB 3.48Å; G78-F81 PolarHBondContact O-N 3.24Å |
| 79 | C | 86.8 | Confident | 82.9 | Confident | 140 Ų | 140 | 97 Ų | 97 | 95% | 0.946 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 36.4 | -177.1 | -60.1 | 0 | 0 | 0 | 0 | 113.8 | F81 | C79-F81 PolarHBondContact O-N 3.21Š|
| 80 | S | 86.7 | Confident | 83.5 | Confident | 96 Ų | 96 | 89.8 Ų | 89.8 | 67% | 0.671 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 31.9 | -176.3 | -52.6 | 0 | 0 | 0 | 0 | 113.5 | G78 F82 | G78-S80 PolarHBondContact O-N 2.9Å; S80-F82 WeakPolarHBondContact O-CD2 3.45Å; S80-F82 WeakPolarHBondContact O-CE2 3.3Å |
| 81 | F | 92.8 | Very high | 84.1 | Confident | 130 Ų | 130 | 86.6 Ų | 86.6 | 57% | 0.57 | 47% | 0.474 | S | S | * | . | trans | -99 | 109 | 174.8 | -173.8 | -99.5 | 0 | 0 | 0 | 110.1 | D76 L77 G78 C79 V83 | D76-F81 WeakPolarHBondContact CA-O 3.31Å; D76-F81 PolarHBondContact OD1-N 2.97Å; L77-F81 HydrophobicContact CB-CD1 4.13Å; L77-F81 HydrophobicContact CD1-CD1 4.03Å; L77-F81 HydrophobicContact CD1-CE1 4.05Å; L77-F81 HydrophobicContact CG-CD1 4.35Å; L77-F81 PolarHBondContact N-O 2.89Å; G78-F81 WeakPolarHBondContact O-CB 3.48Å; G78-F81 PolarHBondContact O-N 3.24Å; C79-F81 PolarHBondContact O-N 3.21Å; F81-V83 HydrophobicContact CD1-CG2 4.07Å; F81-V83 HydrophobicContact CE1-CG2 3.5Å; F81-V83 VanDerWaalsContact CE1-CG2 3.5Å; F81-V83 HydrophobicContact CZ-CG2 4.29Å | ||
| 82 | F | 90.9 | Very high | 84.7 | Confident | 121 Ų | 121 | 90.4 Ų | 90.4 | 53% | 0.531 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 136.1 | -176.2 | -59.3 | -89.1 | 0 | 0 | 0 | 111.2 | V75 D76 S80 | V75-F82 CarbonylContact O-C 3.59Å; V75-F82 WeakPolarHBondContact O-CA 3.35Å; D76-F82 HydrophobicContact CB-CD1 3.81Å; D76-F82 HydrophobicContact CB-CE1 3.62Å; D76-F82 HydrophobicContact CB-CZ 4.4Å; S80-F82 WeakPolarHBondContact O-CD2 3.45Å; S80-F82 WeakPolarHBondContact O-CE2 3.3Å |
| 83 | V | 90.1 | Very high | 85.1 | Confident | 60 Ų | 60 | 85.8 Ų | 85.8 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.3 | 173.9 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | V75 L77 F81 A85 | V75-V83 PolarHBondContact N-O 3.49Å; V75-V83 PolarHBondContact O-N 3.17Å; L77-V83 HydrophobicContact CD1-CB 4.11Å; L77-V83 HydrophobicContact CD1-CG2 3.41Å; L77-V83 VanDerWaalsContact CD1-CG2 3.41Å; L77-V83 HydrophobicContact CG-CB 4.39Å; L77-V83 HydrophobicContact CG-CG2 4.03Å; F81-V83 HydrophobicContact CD1-CG2 4.07Å; F81-V83 HydrophobicContact CE1-CG2 3.5Å; F81-V83 VanDerWaalsContact CE1-CG2 3.5Å; F81-V83 HydrophobicContact CZ-CG2 4.29Å; V83-A85 PolarHBondContact O-N 3.4Å |
| 84 | Q | 89.2 | Confident | 85.4 | Confident | 116 Ų | 116 | 90.3 Ų | 90.3 | 54% | 0.542 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 108.4 | 176.4 | -168.5 | 171.2 | 49.8 | 0 | 0 | 110.6 | ||
| 85 | A | 86.2 | Confident | 85.7 | Confident | 34 Ų | 34 | 85.3 Ų | 85.3 | 28% | 0.281 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 143.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | K72 A73 V75 V83 | K72-A85 WeakPolarHBondContact CA-O 3.4Å; A73-A85 PolarHBondContact N-O 3.29Å; A73-A85 PolarHBondContact O-N 3.42Å; V75-A85 HydrophobicContact CG2-CB 3.76Å; V83-A85 PolarHBondContact O-N 3.4Å |
| 86 | R | 83.7 | Confident | 85.8 | Confident | 154 Ų | 154 | 86.4 Ų | 86.4 | 58% | 0.581 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 121 | 169.8 | -68.5 | -171.8 | -175.1 | 178.8 | 4.2 | 109 | L71 K72 | L71-R86 WeakPolarHBondContact O-CA 3.33Å; K72-R86 HydrophobicContact CG-CG 4.26Å |
| 87 | V | 80.9 | Confident | 85.6 | Confident | 57 Ų | 57 | 85 Ų | 85 | 35% | 0.345 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 117.3 | 175.9 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | Q70 L71 | Q70-V87 WeakPolarHBondContact CA-O 3.42Å; L71-V87 HydrophobicContact CB-CB 4.16Å; L71-V87 PolarHBondContact N-O 2.89Å; L71-V87 VanDerWaalsContact N-O 3.11Å; L71-V87 PolarHBondContact O-N 3.46Å |
| 88 | N | 74.9 | Confident | 85.3 | Confident | 124 Ų | 124 | 80.6 Ų | 80.6 | 66% | 0.663 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -77.3 | -30.8 | -177.4 | -65.8 | -36.3 | 0 | 0 | 0 | 112.6 | ||
| 89 | D | 75.6 | Confident | 85.2 | Confident | 95 Ų | 95 | 89 Ų | 89 | 51% | 0.508 | 47% | 0.466 | S | S | . | . | trans | -136.4 | 101.1 | 177.2 | -176.2 | 13.3 | 0 | 0 | 0 | 110.2 | S91 | D89-S91 PolarHBondContact O-N 3.28Å; D89-S91 WeakPolarHBondContact OD1-CB 3.5Å; D89-S91 PolarHBondContact OD1-N 3.09Å; D89-S91 PolarHBondContact OD1-OG 3Å | ||
| 90 | P | 79.3 | Confident | 85.2 | Confident | 7 Ų | 7 | 85 Ų | 85 | 5% | 0.045 | 45% | 0.448 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | 3 | 175.9 | 30.8 | -32.1 | 0 | 0 | 0 | 113.3 | L63 R92 H107 | L63-P90 HydrophobicContact CD1-CB 3.78Å; L63-P90 HydrophobicContact CD2-CB 4.22Å; L63-P90 HydrophobicContact CG-CB 4.11Å; P90-R92 PolarHBondContact O-N 3.49Å; P90-H107 PolarHBondContact O-CE1 3.16Å; P90-H107 PolarHBondContact O-NE2 2.93Å |
| 91 | S | 80.7 | Confident | 85.4 | Confident | 53 Ų | 53 | 87.3 Ų | 87.3 | 37% | 0.371 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -19.7 | -171.8 | -59.2 | 0 | 0 | 0 | 0 | 115.5 | D89 H107 | D89-S91 PolarHBondContact O-N 3.28Å; D89-S91 WeakPolarHBondContact OD1-CB 3.5Å; D89-S91 PolarHBondContact OD1-N 3.09Å; D89-S91 PolarHBondContact OD1-OG 3Å; S91-H107 PolarHBondContact O-CE1 2.77Å; S91-H107 PolarHBondContact O-ND1 3.4Å |
| 92 | R | 85.9 | Confident | 85.3 | Confident | 140 Ų | 140 | 87.3 Ų | 87.3 | 53% | 0.528 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 145.9 | -176 | -65.9 | -177.6 | 177.2 | -99.5 | -2.4 | 110.8 | P90 E104 M105 | P90-R92 PolarHBondContact O-N 3.49Å; R92-E104 HydrophobicContact CB-CG 4.02Å; R92-E104 WeakPolarHBondContact CD-OE1 3.19Å; R92-M105 WeakPolarHBondContact CA-O 3.38Å |
| 93 | I | 88.1 | Confident | 85.3 | Confident | 28 Ų | 28 | 84.3 Ų | 84.3 | 14% | 0.144 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149 | 179.2 | 59.3 | 163 | 0 | 0 | 0 | 110.6 | I60 L63 V95 E104 M105 A110 | I60-I93 HydrophobicContact CD1-CD1 3.49Å; I60-I93 VanDerWaalsContact CD1-CD1 3.49Å; I60-I93 HydrophobicContact CG1-CD1 3.7Å; L63-I93 HydrophobicContact CD2-CG2 4.15Å; I93-V95 HydrophobicContact CD1-CG2 3.71Å; I93-V95 HydrophobicContact CG1-CG2 4.01Å; I93-E104 WeakPolarHBondContact O-CA 3.43Å; I93-M105 PolarHBondContact N-O 3.4Å; I93-M105 PolarHBondContact O-N 3.4Å; I93-A110 HydrophobicContact CD1-CB 3.69Å; I93-A110 HydrophobicContact CG1-CB 4.23Å |
| 94 | L | 89.3 | Confident | 85.3 | Confident | 126 Ų | 126 | 87 Ų | 87 | 66% | 0.66 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 118.4 | 169.8 | -77.3 | 101.2 | 0 | 0 | 0 | 109.9 | F102 V103 | L94-F102 HydrophobicContact CB-CB 4.4Å; L94-F102 HydrophobicContact CD2-CB 3.86Å; L94-V103 WeakPolarHBondContact CA-O 3.33Å |
| 95 | V | 88.6 | Confident | 85.4 | Confident | 8 Ų | 8 | 83.1 Ų | 83.1 | 5% | 0.048 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 127.3 | 177.6 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | I93 V97 F102 V103 A110 F113 | I93-V95 HydrophobicContact CD1-CG2 3.71Å; I93-V95 HydrophobicContact CG1-CG2 4.01Å; V95-V97 PolarHBondContact O-N 3.04Å; V95-F102 WeakPolarHBondContact O-CA 3.06Å; V95-V103 PolarHBondContact N-O 3.5Å; V95-V103 PolarHBondContact O-N 2.94Å; V95-A110 HydrophobicContact CG2-CB 4.15Å; V95-F113 HydrophobicContact CG1-CD1 4.19Å; V95-F113 HydrophobicContact CG1-CE1 4.04Å |
| 96 | L | 88.1 | Confident | 85.6 | Confident | 91 Ų | 91 | 83.1 Ų | 83.1 | 48% | 0.476 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 110.2 | 172.1 | -178.7 | 72.8 | 0 | 0 | 0 | 109.5 | F101 F102 | L96-F101 WeakPolarHBondContact CD1-O 3.27Å; L96-F102 HydrophobicContact CB-CD1 3.89Å; L96-F102 HydrophobicContact CB-CE1 3.74Å; L96-F102 HydrophobicContact CD1-CD1 4.03Å; L96-F102 HydrophobicContact CD1-CD2 4.35Å; L96-F102 HydrophobicContact CD1-CE1 3.66Å; L96-F102 HydrophobicContact CD1-CE2 3.99Å; L96-F102 HydrophobicContact CD1-CG 4.37Å; L96-F102 HydrophobicContact CD1-CZ 3.65Å; L96-F102 HydrophobicContact CG-CE1 4.23Å |
| 97 | V | 85.1 | Confident | 85.9 | Confident | 53 Ų | 53 | 76.8 Ų | 76.8 | 32% | 0.321 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | -22.1 | -179.8 | -64.7 | 0 | 0 | 0 | 0 | 112.9 | V95 F101 V103 F113 | V95-V97 PolarHBondContact O-N 3.04Å; V97-F101 HydrophobicContact CG2-CB 4.06Å; V97-F101 WeakPolarHBondContact CG2-O 3.44Å; V97-F101 PolarHBondContact N-O 2.75Å; V97-V103 HydrophobicContact CB-CG2 4.39Å; V97-V103 HydrophobicContact CG1-CB 4.04Å; V97-V103 HydrophobicContact CG1-CG2 3.7Å; V97-V103 HydrophobicContact CG2-CG2 3.76Å; V97-F113 HydrophobicContact CB-CZ 4.3Å; V97-F113 HydrophobicContact CG1-CE2 4.11Å; V97-F113 HydrophobicContact CG1-CZ 3.92Å |
| 98 | G | 81.8 | Confident | 86.3 | Confident | 25 Ų | 25 | 79.1 Ų | 79.1 | 26% | 0.258 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.5 | 164.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | G100 F101 | G98-G100 PolarHBondContact O-N 3.02Å; G98-F101 WeakPolarHBondContact O-CB 3.36Å; G98-F101 PolarHBondContact O-N 3.32Å |
| 99 | F | 83.9 | Confident | 87 | Confident | 211 Ų | 211 | 76.9 Ų | 76.9 | 93% | 0.925 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 28.5 | 177.7 | -59.2 | -83.3 | 0 | 0 | 0 | 115.2 | F101 | F99-F101 VanDerWaalsContact C-N 3.28Å; F99-F101 HydrophobicContact CB-CD2 3.95Å; F99-F101 HydrophobicContact CB-CE2 4.1Å; F99-F101 PolarHBondContact O-N 2.83Å |
| 100 | G | 87.6 | Confident | 87.7 | Confident | 55 Ų | 55 | 72.3 Ų | 72.3 | 57% | 0.567 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | 7.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G98 F102 | G98-G100 PolarHBondContact O-N 3.02Å; G100-F102 WeakPolarHBondContact O-CD2 3.35Å |
| 101 | F | 90.3 | Very high | 88.2 | Confident | 146 Ų | 146 | 72.9 Ų | 72.9 | 64% | 0.64 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 130.8 | 174.5 | -64.2 | -76.1 | 0 | 0 | 0 | 111.4 | L96 V97 G98 F99 | L96-F101 WeakPolarHBondContact CD1-O 3.27Å; V97-F101 HydrophobicContact CG2-CB 4.06Å; V97-F101 WeakPolarHBondContact CG2-O 3.44Å; V97-F101 PolarHBondContact N-O 2.75Å; G98-F101 WeakPolarHBondContact O-CB 3.36Å; G98-F101 PolarHBondContact O-N 3.32Å; F99-F101 VanDerWaalsContact C-N 3.28Å; F99-F101 HydrophobicContact CB-CD2 3.95Å; F99-F101 HydrophobicContact CB-CE2 4.1Å; F99-F101 PolarHBondContact O-N 2.83Å |
| 102 | F | 91.3 | Very high | 88.7 | Confident | 129 Ų | 129 | 78.1 Ų | 78.1 | 57% | 0.566 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137.1 | 173.8 | -59.9 | -92.9 | 0 | 0 | 0 | 109 | L94 V95 L96 G100 | L94-F102 HydrophobicContact CB-CB 4.4Å; L94-F102 HydrophobicContact CD2-CB 3.86Å; V95-F102 WeakPolarHBondContact O-CA 3.06Å; L96-F102 HydrophobicContact CB-CD1 3.89Å; L96-F102 HydrophobicContact CB-CE1 3.74Å; L96-F102 HydrophobicContact CD1-CD1 4.03Å; L96-F102 HydrophobicContact CD1-CD2 4.35Å; L96-F102 HydrophobicContact CD1-CE1 3.66Å; L96-F102 HydrophobicContact CD1-CE2 3.99Å; L96-F102 HydrophobicContact CD1-CG 4.37Å; L96-F102 HydrophobicContact CD1-CZ 3.65Å; L96-F102 HydrophobicContact CG-CE1 4.23Å; G100-F102 WeakPolarHBondContact O-CD2 3.35Å |
| 103 | V | 90.7 | Very high | 89 | Confident | 59 Ų | 59 | 73.4 Ų | 73.4 | 36% | 0.358 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.9 | 176.4 | -179.1 | 0 | 0 | 0 | 0 | 108 | L94 V95 V97 M105 | L94-V103 WeakPolarHBondContact CA-O 3.33Å; V95-V103 PolarHBondContact N-O 3.5Å; V95-V103 PolarHBondContact O-N 2.94Å; V97-V103 HydrophobicContact CB-CG2 4.39Å; V97-V103 HydrophobicContact CG1-CB 4.04Å; V97-V103 HydrophobicContact CG1-CG2 3.7Å; V97-V103 HydrophobicContact CG2-CG2 3.76Å; V103-M105 HydrophobicContact CB-CG 4.28Å; V103-M105 HydrophobicContact CG1-CG 3.78Å; V103-M105 HydrophobicContact CG1-SD 4.4Å |
| 104 | E | 91.2 | Very high | 89 | Confident | 115 Ų | 115 | 72.1 Ų | 72.1 | 54% | 0.537 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 121.3 | 171.3 | -171.7 | -178.5 | 176.9 | 0 | 0 | 109.3 | R92 I93 | R92-E104 HydrophobicContact CB-CG 4.02Å; R92-E104 WeakPolarHBondContact CD-OE1 3.19Å; I93-E104 WeakPolarHBondContact O-CA 3.43Å |
| 105 | M | 89.9 | Confident | 89.1 | Confident | 35 Ų | 35 | 69.1 Ų | 69.1 | 17% | 0.172 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 150.2 | -176.7 | -53.9 | -169 | 98.1 | 0 | 0 | 110.2 | R92 I93 V103 E109 A110 F113 | R92-M105 WeakPolarHBondContact CA-O 3.38Å; I93-M105 PolarHBondContact N-O 3.4Å; I93-M105 PolarHBondContact O-N 3.4Å; V103-M105 HydrophobicContact CB-CG 4.28Å; V103-M105 HydrophobicContact CG1-CG 3.78Å; V103-M105 HydrophobicContact CG1-SD 4.4Å; M105-E109 HydrophobicContact CB-CB 4.1Å; M105-E109 HydrophobicContact CE-CB 4.15Å; M105-A110 HydrophobicContact CB-CB 4.45Å; M105-F113 HydrophobicContact SD-CB 4.43Å |
| 106 | S | 91.6 | Very high | 89.2 | Confident | 34 Ų | 34 | 75.6 Ų | 75.6 | 24% | 0.238 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 159.5 | 165.6 | 61 | 0 | 0 | 0 | 0 | 111 | Q108 E109 A110 | S106-Q108 VanDerWaalsContact C-N 3.29Å; S106-Q108 PolarHBondContact O-N 3.45Å; S106-E109 PolarHBondContact N-OE2 2.91Å; S106-E109 PolarHBondContact O-N 2.93Å; S106-E109 VanDerWaalsContact O-N 3.1Å; S106-E109 WeakPolarHBondContact OG-CB 3.28Å; S106-E109 VanDerWaalsContact OG-CG 3.23Å; S106-E109 WeakPolarHBondContact OG-CG 3.48Å; S106-E109 PolarHBondContact OG-N 3.37Å; S106-E109 PolarHBondContact OG-OE2 3.36Å; S106-A110 WeakPolarHBondContact O-CB 3.45Å; S106-A110 PolarHBondContact O-N 3.43Å |
| 107 | H | 88.6 | Confident | 89.3 | Confident | 22 Ų | 22 | 74.2 Ų | 74.2 | 10% | 0.102 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -50.8 | -47.6 | 176.5 | -59.9 | 95.9 | 0 | 0 | 0 | 112.5 | I60 L63 E64 P90 S91 E109 A110 L111 | I60-H107 HydrophobicContact CG2-CB 3.92Å; L63-H107 WeakPolarHBondContact CD2-NE2 3.48Å; E64-H107 HydrophobicContact CG-CB 3.6Å; E64-H107 WeakPolarHBondContact OE1-CB 3.33Å; E64-H107 IonicContact OE1-CG 3.98Å; P90-H107 PolarHBondContact O-CE1 3.16Å; P90-H107 PolarHBondContact O-NE2 2.93Å; S91-H107 PolarHBondContact O-CE1 2.77Å; S91-H107 PolarHBondContact O-ND1 3.4Å; H107-E109 PolarHBondContact O-N 3.25Å; H107-A110 PolarHBondContact O-N 3.27Å; H107-L111 VanDerWaalsContact O-CG 3.32Å; H107-L111 WeakPolarHBondContact O-CG 3.13Å; H107-L111 PolarHBondContact O-N 2.91Å |
| 108 | Q | 89.4 | Confident | 89.4 | Confident | 106 Ų | 106 | 73.4 Ų | 73.4 | 50% | 0.495 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.6 | -36.6 | 179.5 | -65.7 | -64.6 | -38.9 | 0 | 0 | 113.2 | E64 S106 R112 | E64-Q108 PolarHBondContact OE1-NE2 3.27Å; S106-Q108 VanDerWaalsContact C-N 3.29Å; S106-Q108 PolarHBondContact O-N 3.45Å; Q108-R112 WeakPolarHBondContact O-CG 3.34Å; Q108-R112 PolarHBondContact O-N 3.07Å; Q108-R112 PolarHBondContact O-NE 3.12Å |
| 109 | E | 90 | Very high | 89.9 | Confident | 76 Ų | 76 | 77.1 Ų | 77.1 | 36% | 0.355 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -70 | -40.9 | 174 | -72.9 | 166.8 | 149.6 | 0 | 0 | 111.8 | M105 S106 H107 R112 F113 | M105-E109 HydrophobicContact CB-CB 4.1Å; M105-E109 HydrophobicContact CE-CB 4.15Å; S106-E109 PolarHBondContact N-OE2 2.91Å; S106-E109 PolarHBondContact O-N 2.93Å; S106-E109 VanDerWaalsContact O-N 3.1Å; S106-E109 WeakPolarHBondContact OG-CB 3.28Å; S106-E109 VanDerWaalsContact OG-CG 3.23Å; S106-E109 WeakPolarHBondContact OG-CG 3.48Å; S106-E109 PolarHBondContact OG-N 3.37Å; S106-E109 PolarHBondContact OG-OE2 3.36Å; H107-E109 PolarHBondContact O-N 3.25Å; E109-R112 PolarHBondContact O-N 2.96Å; E109-F113 WeakPolarHBondContact O-CB 3.31Å; E109-F113 PolarHBondContact O-N 2.96Å |
| 110 | A | 90.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I60 I93 V95 M105 S106 H107 R112 F113 I114 | I60-A110 HydrophobicContact CD1-CB 3.82Å; I93-A110 HydrophobicContact CD1-CB 3.69Å; I93-A110 HydrophobicContact CG1-CB 4.23Å; V95-A110 HydrophobicContact CG2-CB 4.15Å; M105-A110 HydrophobicContact CB-CB 4.45Å; S106-A110 WeakPolarHBondContact O-CB 3.45Å; S106-A110 PolarHBondContact O-N 3.43Å; H107-A110 PolarHBondContact O-N 3.27Å; A110-R112 PolarHBondContact O-N 2.79Å; A110-F113 WeakPolarHBondContact O-CB 3.3Å; A110-F113 PolarHBondContact O-N 3.44Å; A110-I114 WeakPolarHBondContact O-CB 3.39Å; A110-I114 WeakPolarHBondContact O-CD1 3.22Å; A110-I114 WeakPolarHBondContact O-CG1 3.36Å; A110-I114 PolarHBondContact O-N 3.32Å |
| 111 | L | 90.4 | Very high | 90.2 | Very high | 19 Ų | 19 | 70.5 Ų | 70.5 | 10% | 0.099 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.2 | -47.3 | 173.8 | -71.3 | 174.4 | 0 | 0 | 0 | 111.4 | K57 I60 Q61 H107 F113 I114 D115 | K57-L111 HydrophobicContact CG-CD2 3.78Å; I60-L111 HydrophobicContact CB-CD2 4.46Å; I60-L111 HydrophobicContact CG2-CD1 4.5Å; I60-L111 HydrophobicContact CG2-CD2 3.98Å; I60-L111 HydrophobicContact CG2-CG 3.98Å; Q61-L111 HydrophobicContact CG-CD2 4.4Å; H107-L111 VanDerWaalsContact O-CG 3.32Å; H107-L111 WeakPolarHBondContact O-CG 3.13Å; H107-L111 PolarHBondContact O-N 2.91Å; L111-F113 VanDerWaalsContact C-N 3.32Å; L111-F113 PolarHBondContact O-N 3.16Å; L111-I114 PolarHBondContact O-N 3.03Å; L111-D115 WeakPolarHBondContact O-CB 3.41Å; L111-D115 PolarHBondContact O-N 2.9Å |
| 112 | R | 91.5 | Very high | 90.1 | Very high | 162 Ų | 162 | 65.9 Ų | 65.9 | 61% | 0.611 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.8 | -38.8 | 175.6 | -72.5 | -176.6 | -69.7 | -167.7 | 3 | 112.5 | Q108 E109 A110 K116 | Q108-R112 WeakPolarHBondContact O-CG 3.34Å; Q108-R112 PolarHBondContact O-N 3.07Å; Q108-R112 PolarHBondContact O-NE 3.12Å; E109-R112 PolarHBondContact O-N 2.96Å; A110-R112 PolarHBondContact O-N 2.79Å; R112-K116 WeakPolarHBondContact O-CB 3.46Å; R112-K116 PolarHBondContact O-N 2.75Å |
| 113 | F | 90.8 | Very high | 90.1 | Very high | 41 Ų | 41 | 65.1 Ų | 65.1 | 18% | 0.18 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 175.6 | 177.2 | -95.6 | 0 | 0 | 0 | 111.5 | V95 V97 M105 E109 A110 L111 K116 K117 | V95-F113 HydrophobicContact CG1-CD1 4.19Å; V95-F113 HydrophobicContact CG1-CE1 4.04Å; V97-F113 HydrophobicContact CB-CZ 4.3Å; V97-F113 HydrophobicContact CG1-CE2 4.11Å; V97-F113 HydrophobicContact CG1-CZ 3.92Å; M105-F113 HydrophobicContact SD-CB 4.43Å; E109-F113 WeakPolarHBondContact O-CB 3.31Å; E109-F113 PolarHBondContact O-N 2.96Å; A110-F113 WeakPolarHBondContact O-CB 3.3Å; A110-F113 PolarHBondContact O-N 3.44Å; L111-F113 VanDerWaalsContact C-N 3.32Å; L111-F113 PolarHBondContact O-N 3.16Å; F113-K116 PolarHBondContact O-N 3.3Å; F113-K117 HydrophobicContact CD1-CG 4.19Å; F113-K117 HydrophobicContact CE1-CG 3.8Å; F113-K117 HydrophobicContact CE2-CG 4.2Å; F113-K117 HydrophobicContact CZ-CD 4.26Å; F113-K117 VanDerWaalsContact CZ-CE 3.44Å; F113-K117 HydrophobicContact CZ-CG 3.81Å; F113-K117 WeakPolarHBondContact O-CB 3.44Å; F113-K117 WeakPolarHBondContact O-CG 3.28Å; F113-K117 PolarHBondContact O-N 3.11Å |
| 114 | I | 89.9 | Confident | 89.9 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 178.4 | -68.4 | 163.5 | 0 | 0 | 0 | 110.7 | Y53 L56 K57 I60 A110 L111 K116 K117 T118 | Y53-I114 HydrophobicContact CD1-CG1 4.24Å; Y53-I114 HydrophobicContact CD1-CG2 4.35Å; L56-I114 HydrophobicContact CB-CD1 4.31Å; L56-I114 HydrophobicContact CD2-CD1 3.73Å; L56-I114 HydrophobicContact CD2-CG1 4.12Å; L56-I114 HydrophobicContact CG-CD1 3.75Å; K57-I114 HydrophobicContact CB-CD1 4.49Å; K57-I114 HydrophobicContact CB-CG2 4.27Å; I60-I114 HydrophobicContact CD1-CD1 3.53Å; A110-I114 WeakPolarHBondContact O-CB 3.39Å; A110-I114 WeakPolarHBondContact O-CD1 3.22Å; A110-I114 WeakPolarHBondContact O-CG1 3.36Å; A110-I114 PolarHBondContact O-N 3.32Å; L111-I114 PolarHBondContact O-N 3.03Å; I114-K116 VanDerWaalsContact C-N 3.34Å; I114-K116 PolarHBondContact O-N 3.44Å; I114-K117 PolarHBondContact O-N 3.48Å; I114-T118 VanDerWaalsContact O-CB 3.3Å; I114-T118 WeakPolarHBondContact O-CB 3.39Å; I114-T118 PolarHBondContact O-N 3.23Å; I114-T118 PolarHBondContact O-OG1 3.25Å |
| 115 | D | 90.6 | Very high | 89.7 | Confident | 64 Ų | 64 | 61.5 Ų | 61.5 | 34% | 0.342 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 178.5 | -72 | -23.7 | 0 | 0 | 0 | 110.9 | K57 L111 K117 T118 N119 | K57-D115 IonicContact NZ-OD1 2.75Å; K57-D115 PolarHBondContact NZ-OD1 3.35Å; K57-D115 IonicContact NZ-OD2 3.8Å; L111-D115 WeakPolarHBondContact O-CB 3.41Å; L111-D115 PolarHBondContact O-N 2.9Å; D115-K117 PolarHBondContact O-N 2.86Å; D115-T118 PolarHBondContact O-N 3.02Å; D115-N119 WeakPolarHBondContact O-CB 3.36Å; D115-N119 VanDerWaalsContact O-CG 3.27Å; D115-N119 PolarHBondContact O-N 3.39Å; D115-N119 PolarHBondContact O-ND2 2.85Å |
| 116 | K | 91.3 | Very high | 89.7 | Confident | 143 Ų | 143 | 64.4 Ų | 64.4 | 62% | 0.622 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.7 | -44 | 176 | -170.6 | 175.1 | -175.5 | 176.3 | 0 | 112 | R112 F113 I114 Q120 | R112-K116 WeakPolarHBondContact O-CB 3.46Å; R112-K116 PolarHBondContact O-N 2.75Å; F113-K116 PolarHBondContact O-N 3.3Å; I114-K116 VanDerWaalsContact C-N 3.34Å; I114-K116 PolarHBondContact O-N 3.44Å; K116-Q120 WeakPolarHBondContact O-CG 3.4Å; K116-Q120 PolarHBondContact O-N 3.2Å; K116-Q120 VanDerWaalsContact O-N 3.09Å |
| 117 | K | 88.7 | Confident | 89.6 | Confident | 63 Ų | 63 | 66.9 Ų | 66.9 | 27% | 0.274 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 177.1 | -76.5 | -67.5 | -173.7 | 179.1 | 0 | 112 | Y53 F113 I114 D115 Q120 L121 | Y53-K117 HydrophobicContact CE1-CB 4.37Å; Y53-K117 HydrophobicContact CE2-CB 4.41Å; F113-K117 HydrophobicContact CD1-CG 4.19Å; F113-K117 HydrophobicContact CE1-CG 3.8Å; F113-K117 HydrophobicContact CE2-CG 4.2Å; F113-K117 HydrophobicContact CZ-CD 4.26Å; F113-K117 VanDerWaalsContact CZ-CE 3.44Å; F113-K117 HydrophobicContact CZ-CG 3.81Å; F113-K117 WeakPolarHBondContact O-CB 3.44Å; F113-K117 WeakPolarHBondContact O-CG 3.28Å; F113-K117 PolarHBondContact O-N 3.11Å; I114-K117 PolarHBondContact O-N 3.48Å; D115-K117 PolarHBondContact O-N 2.86Å; K117-Q120 PolarHBondContact O-N 3.13Å; K117-L121 WeakPolarHBondContact O-CG 3.45Å; K117-L121 PolarHBondContact O-N 3.45Å |
| 118 | T | 88.6 | Confident | 89.3 | Confident | 36 Ų | 36 | 66.4 Ų | 66.4 | 22% | 0.221 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 177.5 | -55.7 | 0 | 0 | 0 | 0 | 110.3 | M50 I114 D115 Q120 L121 T122 | M50-T118 HydrophobicContact CE-CG2 4.14Å; I114-T118 VanDerWaalsContact O-CB 3.3Å; I114-T118 WeakPolarHBondContact O-CB 3.39Å; I114-T118 PolarHBondContact O-N 3.23Å; I114-T118 PolarHBondContact O-OG1 3.25Å; D115-T118 PolarHBondContact O-N 3.02Å; T118-Q120 PolarHBondContact O-N 2.93Å; T118-L121 WeakPolarHBondContact O-CB 3.38Å; T118-L121 PolarHBondContact O-N 2.93Å; T118-L121 VanDerWaalsContact O-N 3.16Å; T118-T122 PolarHBondContact O-N 2.89Å; T118-T122 PolarHBondContact O-OG1 3.19Å |
| 119 | N | 91.1 | Very high | 89.1 | Confident | 103 Ų | 103 | 64.6 Ų | 64.6 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -60.3 | -42.4 | 175.6 | -73.2 | -20.5 | 0 | 0 | 0 | 112.6 | D115 L121 T122 L123 | D115-N119 WeakPolarHBondContact O-CB 3.36Å; D115-N119 VanDerWaalsContact O-CG 3.27Å; D115-N119 PolarHBondContact O-N 3.39Å; D115-N119 PolarHBondContact O-ND2 2.85Å; N119-L121 VanDerWaalsContact C-N 3.35Å; N119-L121 PolarHBondContact O-N 2.79Å; N119-T122 PolarHBondContact O-N 2.89Å; N119-L123 WeakPolarHBondContact O-CG 3.28Å; N119-L123 PolarHBondContact O-N 3.06Å |
| 120 | Q | 89.6 | Confident | 89 | Confident | 102 Ų | 102 | 66.7 Ų | 66.7 | 48% | 0.477 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 174.6 | -75 | -178.2 | -19.9 | 0 | 0 | 112.1 | K116 K117 T118 L123 F124 | K116-Q120 WeakPolarHBondContact O-CG 3.4Å; K116-Q120 PolarHBondContact O-N 3.2Å; K116-Q120 VanDerWaalsContact O-N 3.09Å; K117-Q120 PolarHBondContact O-N 3.13Å; T118-Q120 PolarHBondContact O-N 2.93Å; Q120-L123 PolarHBondContact O-N 3.5Å; Q120-F124 PolarHBondContact O-N 3.13Å; Q120-F124 VanDerWaalsContact O-N 3.11Å |
| 121 | L | 87.9 | Confident | 88.7 | Confident | 25 Ų | 25 | 69 Ų | 69 | 13% | 0.131 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 176.6 | -71.8 | 166.3 | 0 | 0 | 0 | 111.5 | L46 K49 M50 Y53 K117 T118 N119 F124 T125 | L46-L121 HydrophobicContact CD2-CD2 3.54Å; K49-L121 HydrophobicContact CB-CD1 4.46Å; M50-L121 HydrophobicContact CE-CB 4.07Å; M50-L121 HydrophobicContact CG-CB 3.72Å; M50-L121 HydrophobicContact CG-CD1 3.79Å; M50-L121 HydrophobicContact CG-CG 4.33Å; M50-L121 HydrophobicContact SD-CB 3.99Å; Y53-L121 HydrophobicContact CD2-CD1 3.66Å; Y53-L121 HydrophobicContact CE2-CD1 3.68Å; K117-L121 WeakPolarHBondContact O-CG 3.45Å; K117-L121 PolarHBondContact O-N 3.45Å; T118-L121 WeakPolarHBondContact O-CB 3.38Å; T118-L121 PolarHBondContact O-N 2.93Å; T118-L121 VanDerWaalsContact O-N 3.16Å; N119-L121 VanDerWaalsContact C-N 3.35Å; N119-L121 PolarHBondContact O-N 2.79Å; L121-F124 PolarHBondContact O-N 3.11Å; L121-T125 WeakPolarHBondContact O-CB 3.49Å; L121-T125 PolarHBondContact O-N 2.81Å; L121-T125 PolarHBondContact O-OG1 3.33Å |
| 122 | T | 88.6 | Confident | 88.2 | Confident | 48 Ų | 48 | 68.8 Ų | 68.8 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.8 | -49.7 | 176.2 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | M50 T118 N119 F124 T125 E126 | M50-T122 WeakPolarHBondContact CE-OG1 3.47Å; T118-T122 PolarHBondContact O-N 2.89Å; T118-T122 PolarHBondContact O-OG1 3.19Å; N119-T122 PolarHBondContact O-N 2.89Å; T122-F124 VanDerWaalsContact C-N 3.26Å; T122-F124 PolarHBondContact O-N 3.31Å; T122-T125 WeakPolarHBondContact O-CB 3.44Å; T122-T125 PolarHBondContact O-N 3.38Å; T122-T125 VanDerWaalsContact O-N 3.16Å; T122-E126 WeakPolarHBondContact O-CG 3.37Å; T122-E126 PolarHBondContact O-N 2.97Å |
| 123 | L | 90.9 | Very high | 87.7 | Confident | 113 Ų | 113 | 63.8 Ų | 63.8 | 59% | 0.592 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.2 | -39.8 | 178.2 | -69.8 | 173.5 | 0 | 0 | 0 | 112 | N119 Q120 E126 Q127 | N119-L123 WeakPolarHBondContact O-CG 3.28Å; N119-L123 PolarHBondContact O-N 3.06Å; Q120-L123 PolarHBondContact O-N 3.5Å; L123-E126 PolarHBondContact O-N 3.42Å; L123-Q127 PolarHBondContact O-N 2.95Å |
| 124 | F | 87.8 | Confident | 87.5 | Confident | 93 Ų | 93 | 67.3 Ų | 67.3 | 41% | 0.408 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 178 | -166.2 | -117.8 | 0 | 0 | 0 | 111.8 | Q42 L46 Q120 L121 T122 Q127 L128 | Q42-F124 VanDerWaalsContact NE2-CZ 3.34Å; L46-F124 HydrophobicContact CD1-CD1 3.29Å; L46-F124 HydrophobicContact CD1-CE1 3.71Å; L46-F124 HydrophobicContact CD1-CG 4.4Å; L46-F124 HydrophobicContact CD2-CD1 3.82Å; L46-F124 HydrophobicContact CD2-CE1 4.23Å; L46-F124 HydrophobicContact CG-CD1 4.18Å; Q120-F124 PolarHBondContact O-N 3.13Å; Q120-F124 VanDerWaalsContact O-N 3.11Å; L121-F124 PolarHBondContact O-N 3.11Å; T122-F124 VanDerWaalsContact C-N 3.26Å; T122-F124 PolarHBondContact O-N 3.31Å; F124-Q127 PolarHBondContact O-N 3Å; F124-L128 HydrophobicContact CD1-CD1 4.05Å; F124-L128 HydrophobicContact CE1-CD1 3.84Å; F124-L128 HydrophobicContact CE1-CG 4.41Å; F124-L128 HydrophobicContact CZ-CD1 4.44Å; F124-L128 WeakPolarHBondContact O-CG 3.45Å; F124-L128 PolarHBondContact O-N 2.89Å |
| 125 | T | 86.8 | Confident | 87 | Confident | 6 Ų | 6 | 68.7 Ų | 68.7 | 4% | 0.037 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 173.3 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | R43 Y47 L121 T122 L128 T129 | R43-T125 HydrophobicContact CG-CG2 3.99Å; Y47-T125 HydrophobicContact CE1-CG2 4.11Å; Y47-T125 HydrophobicContact CE2-CG2 3.96Å; Y47-T125 WeakPolarHBondContact OH-CG2 3.2Å; L121-T125 WeakPolarHBondContact O-CB 3.49Å; L121-T125 PolarHBondContact O-N 2.81Å; L121-T125 PolarHBondContact O-OG1 3.33Å; T122-T125 WeakPolarHBondContact O-CB 3.44Å; T122-T125 PolarHBondContact O-N 3.38Å; T122-T125 VanDerWaalsContact O-N 3.16Å; T125-L128 PolarHBondContact O-N 3.46Å; T125-T129 WeakPolarHBondContact O-CB 3.31Å; T125-T129 PolarHBondContact O-N 3.3Å; T125-T129 PolarHBondContact O-OG1 2.98Å |
| 126 | E | 88.9 | Confident | 86.4 | Confident | 95 Ų | 95 | 71.4 Ų | 71.4 | 44% | 0.444 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 174.2 | -74.4 | 177.6 | -172.7 | 0 | 0 | 111.7 | T122 L123 T129 K130 | T122-E126 WeakPolarHBondContact O-CG 3.37Å; T122-E126 PolarHBondContact O-N 2.97Å; L123-E126 PolarHBondContact O-N 3.42Å; E126-T129 WeakPolarHBondContact O-CB 3.32Å; E126-T129 PolarHBondContact O-N 3.44Å; E126-K130 WeakPolarHBondContact O-CG 3.49Å; E126-K130 PolarHBondContact O-N 3.29Å |
| 127 | Q | 89.3 | Confident | 86 | Confident | 86 Ų | 86 | 66.9 Ų | 66.9 | 40% | 0.402 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.2 | -48.3 | 176.7 | -174.4 | 59 | 36.6 | 0 | 0 | 111.2 | L123 F124 T129 K130 D131 | L123-Q127 PolarHBondContact O-N 2.95Å; F124-Q127 PolarHBondContact O-N 3Å; Q127-T129 PolarHBondContact O-N 3.44Å; Q127-K130 WeakPolarHBondContact O-CB 3.31Å; Q127-K130 PolarHBondContact O-N 3.42Å; Q127-K130 VanDerWaalsContact O-N 3.13Å; Q127-D131 PolarHBondContact NE2-OD1 2.96Å; Q127-D131 PolarHBondContact NE2-OD2 3.23Å; Q127-D131 PolarHBondContact O-N 3.2Å |
| 128 | L | 83.6 | Confident | 85.6 | Confident | 13 Ų | 13 | 69.3 Ų | 69.3 | 7% | 0.068 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.9 | -35.7 | 175 | -70.9 | 172.4 | 0 | 0 | 0 | 112.2 | V39 Q42 R43 L46 F124 T125 D131 A132 | V39-L128 HydrophobicContact CG1-CB 4.16Å; V39-L128 HydrophobicContact CG1-CD2 4.2Å; V39-L128 WeakPolarHBondContact CG1-O 3.11Å; Q42-L128 HydrophobicContact CB-CD1 4.42Å; Q42-L128 HydrophobicContact CG-CD1 3.91Å; R43-L128 HydrophobicContact CB-CD1 4.49Å; L46-L128 HydrophobicContact CD1-CD1 3.36Å; F124-L128 HydrophobicContact CD1-CD1 4.05Å; F124-L128 HydrophobicContact CE1-CD1 3.84Å; F124-L128 HydrophobicContact CE1-CG 4.41Å; F124-L128 HydrophobicContact CZ-CD1 4.44Å; F124-L128 WeakPolarHBondContact O-CG 3.45Å; F124-L128 PolarHBondContact O-N 2.89Å; T125-L128 PolarHBondContact O-N 3.46Å; L128-D131 PolarHBondContact O-N 3.37Å; L128-A132 WeakPolarHBondContact O-CB 3.47Å; L128-A132 PolarHBondContact O-N 2.97Å |
| 129 | T | 84 | Confident | 85 | Confident | 68 Ų | 68 | 68.7 Ų | 68.7 | 42% | 0.417 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66 | -41.7 | 176.4 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | T125 E126 Q127 A132 A133 | T125-T129 WeakPolarHBondContact O-CB 3.31Å; T125-T129 PolarHBondContact O-N 3.3Å; T125-T129 PolarHBondContact O-OG1 2.98Å; E126-T129 WeakPolarHBondContact O-CB 3.32Å; E126-T129 PolarHBondContact O-N 3.44Å; Q127-T129 PolarHBondContact O-N 3.44Å; T129-A132 PolarHBondContact O-N 2.99Å; T129-A133 WeakPolarHBondContact O-CB 3.41Å; T129-A133 PolarHBondContact O-N 3.49Å |
| 130 | K | 88.9 | Confident | 84.4 | Confident | 119 Ų | 119 | 72.2 Ų | 72.2 | 52% | 0.517 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 173.7 | -70.4 | 173.3 | -173.7 | 171.1 | 0 | 111.3 | E126 Q127 A133 K134 | E126-K130 WeakPolarHBondContact O-CG 3.49Å; E126-K130 PolarHBondContact O-N 3.29Å; Q127-K130 WeakPolarHBondContact O-CB 3.31Å; Q127-K130 PolarHBondContact O-N 3.42Å; Q127-K130 VanDerWaalsContact O-N 3.13Å; K130-A133 WeakPolarHBondContact O-CB 3.35Å; K130-A133 PolarHBondContact O-N 2.97Å; K130-K134 WeakPolarHBondContact O-CG 3.4Å; K130-K134 PolarHBondContact O-N 3.26Å |
| 131 | D | 83.3 | Confident | 83.9 | Confident | 49 Ų | 49 | 73.8 Ų | 73.8 | 26% | 0.262 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69.4 | -38.7 | -179.3 | -65.1 | -27.8 | 0 | 0 | 0 | 111.6 | Q127 L128 A133 K134 I135 | Q127-D131 PolarHBondContact NE2-OD1 2.96Å; Q127-D131 PolarHBondContact NE2-OD2 3.23Å; Q127-D131 PolarHBondContact O-N 3.2Å; L128-D131 PolarHBondContact O-N 3.37Å; D131-A133 VanDerWaalsContact C-N 3.33Å; D131-A133 PolarHBondContact O-N 3Å; D131-K134 PolarHBondContact O-N 3.39Å; D131-K134 IonicContact OD1-NZ 3.06Å; D131-K134 PolarHBondContact OD1-NZ 3.42Å; D131-I135 VanDerWaalsContact O-CG1 3.31Å; D131-I135 WeakPolarHBondContact O-CG1 3.49Å; D131-I135 PolarHBondContact O-N 3.35Å |
| 132 | A | 79.8 | Confident | 83.4 | Confident | 14 Ų | 14 | 74.9 Ų | 74.9 | 12% | 0.116 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L36 V39 L128 T129 I135 K136 | L36-A132 HydrophobicContact CD1-CB 4.01Å; V39-A132 HydrophobicContact CG1-CB 3.87Å; L128-A132 WeakPolarHBondContact O-CB 3.47Å; L128-A132 PolarHBondContact O-N 2.97Å; T129-A132 PolarHBondContact O-N 2.99Å; A132-I135 PolarHBondContact O-N 3.06Å; A132-K136 WeakPolarHBondContact O-CG 3.44Å; A132-K136 PolarHBondContact O-N 3.21Å |
| 133 | A | 80.9 | Confident | 82.8 | Confident | 57 Ų | 57 | 76.4 Ų | 76.4 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T129 K130 D131 K136 A137 | T129-A133 WeakPolarHBondContact O-CB 3.41Å; T129-A133 PolarHBondContact O-N 3.49Å; K130-A133 WeakPolarHBondContact O-CB 3.35Å; K130-A133 PolarHBondContact O-N 2.97Å; D131-A133 VanDerWaalsContact C-N 3.33Å; D131-A133 PolarHBondContact O-N 3Å; A133-K136 PolarHBondContact O-N 3.09Å; A133-A137 WeakPolarHBondContact O-CB 3.49Å; A133-A137 PolarHBondContact O-N 2.94Å |
| 134 | K | 86.4 | Confident | 82.2 | Confident | 116 Ų | 116 | 74.9 Ų | 74.9 | 50% | 0.504 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.3 | -46.4 | 173.9 | -70.4 | 171.2 | -171.4 | 162.7 | 0 | 111.7 | K130 D131 K136 A137 H138 | K130-K134 WeakPolarHBondContact O-CG 3.4Å; K130-K134 PolarHBondContact O-N 3.26Å; D131-K134 PolarHBondContact O-N 3.39Å; D131-K134 IonicContact OD1-NZ 3.06Å; D131-K134 PolarHBondContact OD1-NZ 3.42Å; K134-K136 VanDerWaalsContact C-N 3.34Å; K134-K136 PolarHBondContact O-N 3.38Å; K134-A137 PolarHBondContact O-N 3.28Å; K134-H138 PolarHBondContact O-N 3.38Å |
| 135 | I | 79.4 | Confident | 81.6 | Confident | 29 Ų | 29 | 71.8 Ų | 71.8 | 15% | 0.149 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 176.9 | -68.3 | 165.5 | 0 | 0 | 0 | 110.2 | L32 D35 L36 V39 D131 A132 A137 H138 I139 | L32-I135 HydrophobicContact CB-CG2 4.48Å; L32-I135 HydrophobicContact CD2-CG2 3.91Å; D35-I135 HydrophobicContact CB-CD1 4.23Å; L36-I135 HydrophobicContact CB-CG2 4.12Å; V39-I135 HydrophobicContact CG2-CD1 4.15Å; D131-I135 VanDerWaalsContact O-CG1 3.31Å; D131-I135 WeakPolarHBondContact O-CG1 3.49Å; D131-I135 PolarHBondContact O-N 3.35Å; A132-I135 PolarHBondContact O-N 3.06Å; I135-A137 VanDerWaalsContact C-N 3.34Å; I135-A137 PolarHBondContact O-N 3.02Å; I135-H138 PolarHBondContact O-N 2.87Å; I135-I139 HydrophobicContact CG2-CD1 4.09Å; I135-I139 WeakPolarHBondContact O-CG1 3.28Å; I135-I139 PolarHBondContact O-N 3.22Å |
| 136 | K | 79.4 | Confident | 80.9 | Confident | 121 Ų | 121 | 72.2 Ų | 72.2 | 53% | 0.526 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 176.2 | -74.8 | 178.5 | -177.4 | -178.4 | 0 | 112.6 | L36 A132 A133 K134 I139 R140 | L36-K136 HydrophobicContact CD1-CG 4.09Å; L36-K136 HydrophobicContact CD2-CG 3.99Å; A132-K136 WeakPolarHBondContact O-CG 3.44Å; A132-K136 PolarHBondContact O-N 3.21Å; A133-K136 PolarHBondContact O-N 3.09Å; K134-K136 VanDerWaalsContact C-N 3.34Å; K134-K136 PolarHBondContact O-N 3.38Å; K136-I139 PolarHBondContact O-N 2.99Å; K136-R140 WeakPolarHBondContact O-CB 3.17Å; K136-R140 PolarHBondContact O-N 3.11Å |
| 137 | A | 82 | Confident | 80 | Confident | 49 Ų | 49 | 72.1 Ų | 72.1 | 41% | 0.405 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65 | -43.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A133 K134 I135 R140 M141 | A133-A137 WeakPolarHBondContact O-CB 3.49Å; A133-A137 PolarHBondContact O-N 2.94Å; K134-A137 PolarHBondContact O-N 3.28Å; I135-A137 VanDerWaalsContact C-N 3.34Å; I135-A137 PolarHBondContact O-N 3.02Å; A137-R140 PolarHBondContact O-N 3.42Å; A137-M141 PolarHBondContact O-N 3.34Å |
| 138 | H | 79.3 | Confident | 79.2 | Confident | 114 Ų | 114 | 75.5 Ų | 75.5 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 174.6 | -75.3 | -174.5 | 0 | 0 | 0 | 111.9 | L32 K134 I135 R140 M141 V142 | L32-H138 HydrophobicContact CD2-CB 4.37Å; K134-H138 PolarHBondContact O-N 3.38Å; I135-H138 PolarHBondContact O-N 2.87Å; H138-R140 VanDerWaalsContact C-N 3.29Å; H138-R140 PolarHBondContact O-N 2.9Å; H138-M141 PolarHBondContact O-N 2.86Å; H138-V142 WeakPolarHBondContact O-CG2 3.33Å; H138-V142 PolarHBondContact O-N 3.38Å |
| 139 | I | 77.4 | Confident | 78.6 | Confident | 22 Ų | 22 | 80.7 Ų | 80.7 | 11% | 0.113 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -55.5 | -48.7 | 174.5 | -66.9 | 166.1 | 0 | 0 | 0 | 110 | I28 L32 I135 K136 V142 L143 | I28-I139 HydrophobicContact CG2-CG2 3.93Å; L32-I139 HydrophobicContact CB-CD1 3.8Å; L32-I139 HydrophobicContact CB-CG1 3.52Å; L32-I139 HydrophobicContact CD1-CG1 3.97Å; L32-I139 HydrophobicContact CD2-CG1 4.08Å; L32-I139 HydrophobicContact CG-CG1 4.07Å; I135-I139 HydrophobicContact CG2-CD1 4.09Å; I135-I139 WeakPolarHBondContact O-CG1 3.28Å; I135-I139 PolarHBondContact O-N 3.22Å; K136-I139 PolarHBondContact O-N 2.99Å; I139-V142 PolarHBondContact O-N 3.34Å; I139-L143 HydrophobicContact CG2-CD1 3.76Å; I139-L143 HydrophobicContact CG2-CG 4.34Å; I139-L143 VanDerWaalsContact O-CG 3.31Å; I139-L143 WeakPolarHBondContact O-CG 2.93Å; I139-L143 PolarHBondContact O-N 3.03Å |
| 140 | R | 77.4 | Confident | 77.6 | Confident | 177 Ų | 177 | 81.8 Ų | 81.8 | 67% | 0.668 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63.3 | -45.9 | -178.1 | -166.6 | 174.6 | -175.7 | -173.3 | -0.1 | 111.7 | K136 A137 H138 V142 L143 E144 | K136-R140 WeakPolarHBondContact O-CB 3.17Å; K136-R140 PolarHBondContact O-N 3.11Å; A137-R140 PolarHBondContact O-N 3.42Å; H138-R140 VanDerWaalsContact C-N 3.29Å; H138-R140 PolarHBondContact O-N 2.9Å; R140-V142 VanDerWaalsContact C-N 3.34Å; R140-V142 PolarHBondContact O-N 2.95Å; R140-L143 PolarHBondContact O-N 3.38Å; R140-E144 HydrophobicContact CG-CG 4.42Å; R140-E144 WeakPolarHBondContact O-CG 3.36Å; R140-E144 PolarHBondContact O-N 3.27Å |
| 141 | M | 79.4 | Confident | 76.1 | Confident | 136 Ų | 136 | 79.1 Ų | 79.1 | 67% | 0.67 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -58.2 | -44.9 | 177 | -80.6 | -175.1 | 65 | 0 | 0 | 112.4 | A137 H138 G145 | A137-M141 PolarHBondContact O-N 3.34Å; H138-M141 PolarHBondContact O-N 2.86Å; M141-G145 PolarHBondContact O-N 3.44Å |
| 142 | V | 78.7 | Confident | 74.7 | Confident | 47 Ų | 47 | 82 Ų | 82 | 29% | 0.285 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 179.5 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | Y24 I28 H138 I139 R140 G145 L146 | Y24-V142 HydrophobicContact CD1-CG1 4.24Å; Y24-V142 HydrophobicContact CG-CG1 4.47Å; I28-V142 HydrophobicContact CD1-CB 4.19Å; I28-V142 HydrophobicContact CD1-CG1 3.73Å; I28-V142 HydrophobicContact CG1-CG1 4.36Å; H138-V142 WeakPolarHBondContact O-CG2 3.33Å; H138-V142 PolarHBondContact O-N 3.38Å; I139-V142 PolarHBondContact O-N 3.34Å; R140-V142 VanDerWaalsContact C-N 3.34Å; R140-V142 PolarHBondContact O-N 2.95Å; V142-G145 PolarHBondContact O-N 2.93Å; V142-L146 HydrophobicContact CG1-CD1 4.23Å; V142-L146 HydrophobicContact CG1-CG 4.45Å; V142-L146 VanDerWaalsContact O-CG 3.28Å; V142-L146 WeakPolarHBondContact O-CG 3.45Å; V142-L146 PolarHBondContact O-N 3.49Å |
| 143 | L | 74.7 | Confident | 73.2 | Confident | 81 Ų | 81 | 90.3 Ų | 90.3 | 42% | 0.424 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 177.5 | -72.2 | 173.3 | 0 | 0 | 0 | 112.9 | I28 I139 R140 L146 R147 | I28-L143 HydrophobicContact CD1-CD2 3.76Å; I28-L143 HydrophobicContact CD1-CG 4.02Å; I139-L143 HydrophobicContact CG2-CD1 3.76Å; I139-L143 HydrophobicContact CG2-CG 4.34Å; I139-L143 VanDerWaalsContact O-CG 3.31Å; I139-L143 WeakPolarHBondContact O-CG 2.93Å; I139-L143 PolarHBondContact O-N 3.03Å; R140-L143 PolarHBondContact O-N 3.38Å; L143-L146 PolarHBondContact O-N 3.29Å; L143-R147 PolarHBondContact O-N 3.38Å |
| 144 | E | 77.8 | Confident | 71.8 | Confident | 80 Ų | 80 | 94.3 Ų | 94.3 | 37% | 0.374 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.8 | -40.7 | 176.3 | -61.7 | -59.7 | 166.1 | 0 | 0 | 111.3 | R140 L146 R147 E148 | R140-E144 HydrophobicContact CG-CG 4.42Å; R140-E144 WeakPolarHBondContact O-CG 3.36Å; R140-E144 PolarHBondContact O-N 3.27Å; E144-L146 VanDerWaalsContact C-N 3.31Å; E144-L146 PolarHBondContact O-N 3.26Å; E144-R147 WeakPolarHBondContact O-CB 3.4Å; E144-R147 PolarHBondContact O-N 3.4Å; E144-R147 VanDerWaalsContact O-N 3.11Å; E144-E148 PolarHBondContact O-N 3.34Å |
| 145 | G | 76.9 | Confident | 69.8 | Low | 28 Ų | 28 | 95.7 Ų | 95.7 | 29% | 0.289 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62 | -37 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | M141 V142 L149 | M141-G145 PolarHBondContact O-N 3.44Å; V142-G145 PolarHBondContact O-N 2.93Å; G145-L149 WeakPolarHBondContact O-CB 3.36Å; G145-L149 VanDerWaalsContact O-CG 3.24Å; G145-L149 WeakPolarHBondContact O-CG 3.44Å; G145-L149 PolarHBondContact O-N 2.96Å; G145-L149 VanDerWaalsContact O-N 3.11Å |
| 146 | L | 71.6 | Confident | 68.1 | Low | 15 Ų | 15 | 97.2 Ų | 97.2 | 8% | 0.079 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -67.3 | -39 | 172.6 | -69.5 | 174.1 | 0 | 0 | 0 | 112 | V21 Y24 V142 L143 E144 L149 Q150 | V21-L146 HydrophobicContact CG2-CD2 4.02Å; Y24-L146 HydrophobicContact CD2-CD2 3.86Å; Y24-L146 HydrophobicContact CG-CD2 4.35Å; V142-L146 HydrophobicContact CG1-CD1 4.23Å; V142-L146 HydrophobicContact CG1-CG 4.45Å; V142-L146 VanDerWaalsContact O-CG 3.28Å; V142-L146 WeakPolarHBondContact O-CG 3.45Å; V142-L146 PolarHBondContact O-N 3.49Å; L143-L146 PolarHBondContact O-N 3.29Å; E144-L146 VanDerWaalsContact C-N 3.31Å; E144-L146 PolarHBondContact O-N 3.26Å; L146-L149 PolarHBondContact O-N 3.11Å; L146-Q150 WeakPolarHBondContact O-CB 3.24Å; L146-Q150 WeakPolarHBondContact O-CG 3.5Å; L146-Q150 PolarHBondContact O-N 3.38Å |
| 147 | R | 69.6 | Low | 66.5 | Low | 93 Ų | 93 | 95.4 Ų | 95.4 | 35% | 0.351 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 176.6 | 177.7 | -178.6 | -96.7 | -153 | -8.1 | 111.8 | L143 E144 Q150 G151 L152 | L143-R147 PolarHBondContact O-N 3.38Å; E144-R147 WeakPolarHBondContact O-CB 3.4Å; E144-R147 PolarHBondContact O-N 3.4Å; E144-R147 VanDerWaalsContact O-N 3.11Å; R147-Q150 PolarHBondContact O-N 3.08Å; R147-G151 PolarHBondContact O-N 3.02Å; R147-L152 HydrophobicContact CG-CB 4.27Å; R147-L152 PolarHBondContact O-N 3.11Å |
| 148 | E | 73.4 | Confident | 64.7 | Low | 157 Ų | 157 | 98.5 Ų | 98.5 | 73% | 0.734 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.8 | -43.7 | 175.5 | -71.4 | 177.7 | -174.9 | 0 | 0 | 111.9 | E144 Q150 G151 | E144-E148 PolarHBondContact O-N 3.34Å; E148-Q150 VanDerWaalsContact C-N 3.28Å; E148-Q150 PolarHBondContact O-N 3.28Å; E148-G151 PolarHBondContact O-N 3.26Å; E148-G151 VanDerWaalsContact O-N 3.11Å |
| 149 | L | 69.9 | Low | 63 | Low | 122 Ų | 122 | 98 Ų | 98 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.1 | -27.7 | 178.5 | -71.8 | 171.4 | 0 | 0 | 0 | 113.4 | G145 L146 G151 | G145-L149 WeakPolarHBondContact O-CB 3.36Å; G145-L149 VanDerWaalsContact O-CG 3.24Å; G145-L149 WeakPolarHBondContact O-CG 3.44Å; G145-L149 PolarHBondContact O-N 2.96Å; G145-L149 VanDerWaalsContact O-N 3.11Å; L146-L149 PolarHBondContact O-N 3.11Å; L149-G151 VanDerWaalsContact C-N 3.29Å |
| 150 | Q | 63.8 | Low | 61.3 | Low | 91 Ų | 91 | 106 Ų | 106 | 43% | 0.425 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -3 | 174.8 | -73.8 | 179.1 | -15.5 | 0 | 0 | 113.4 | V21 L146 R147 E148 L152 | V21-Q150 HydrophobicContact CG2-CG 4.48Å; L146-Q150 WeakPolarHBondContact O-CB 3.24Å; L146-Q150 WeakPolarHBondContact O-CG 3.5Å; L146-Q150 PolarHBondContact O-N 3.38Å; R147-Q150 PolarHBondContact O-N 3.08Å; E148-Q150 VanDerWaalsContact C-N 3.28Å; E148-Q150 PolarHBondContact O-N 3.28Å; Q150-L152 HydrophobicContact CB-CD1 4.45Å; Q150-L152 HydrophobicContact CB-CG 4.47Å; Q150-L152 PolarHBondContact O-N 3.09Å |
| 151 | G | 56.3 | Low | 59.7 | Low | 63 Ų | 63 | 105.4 Ų | 105.4 | 65% | 0.649 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 20.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R147 E148 L149 E153 | R147-G151 PolarHBondContact O-N 3.02Å; E148-G151 PolarHBondContact O-N 3.26Å; E148-G151 VanDerWaalsContact O-N 3.11Å; L149-G151 VanDerWaalsContact C-N 3.29Å; G151-E153 VanDerWaalsContact C-N 3.29Å; G151-E153 PolarHBondContact O-N 3.27Å; G151-E153 VanDerWaalsContact O-N 3.08Å |
| 152 | L | 55 | Low | 57.8 | Low | 110 Ų | 110 | 102.8 Ų | 102.8 | 58% | 0.576 | 54% | 0.542 | S | S | * | . | trans | -84 | 77.5 | 175 | -72.7 | 171.5 | 0 | 0 | 0 | 109 | R147 Q150 E154 | R147-L152 HydrophobicContact CG-CB 4.27Å; R147-L152 PolarHBondContact O-N 3.11Å; Q150-L152 HydrophobicContact CB-CD1 4.45Å; Q150-L152 HydrophobicContact CB-CG 4.47Å; Q150-L152 PolarHBondContact O-N 3.09Å; L152-E154 PolarHBondContact O-N 2.94Å | ||
| 153 | E | 48.8 | Very low | 56.1 | Low | 188 Ų | 188 | 104.2 Ų | 104.2 | 88% | 0.879 | 56% | 0.559 | S | S | * | * | trans | -60.3 | 120.6 | 162.8 | -100.4 | 178.9 | 163 | 0 | 0 | 109.6 | G151 | G151-E153 VanDerWaalsContact C-N 3.29Å; G151-E153 PolarHBondContact O-N 3.27Å; G151-E153 VanDerWaalsContact O-N 3.08Å | ||
| 154 | E | 49.8 | Very low | 54.6 | Low | 141 Ų | 141 | 104.7 Ų | 104.7 | 66% | 0.659 | 57% | 0.574 | S | S | * | * | trans | 47.5 | 94.3 | 159.1 | -59.9 | -158.9 | 145.7 | 0 | 0 | 119.5 | L152 | L152-E154 PolarHBondContact O-N 2.94Š| ||
| 155 | L | 45.3 | Very low | 52.9 | Low | 145 Ų | 145 | 105 Ų | 105 | 76% | 0.759 | 59% | 0.591 | S | S | * | * | trans | -123.7 | 64 | 138.7 | -70.9 | 175.8 | 0 | 0 | 0 | 109.5 | ||||
| 156 | S | 43.9 | Very low | 51.3 | Low | 61 Ų | 61 | 107.5 Ų | 107.5 | 43% | 0.427 | 61% | 0.609 | S | S | . | * | trans | -107 | -4.7 | 167.8 | 90 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 157 | D | 44.5 | Very low | 49.9 | Very low | 83 Ų | 83 | 115.4 Ų | 115.4 | 44% | 0.444 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -97.4 | -3.4 | -173.6 | -95.3 | 2.5 | 0 | 0 | 0 | 116.3 | ||
| 158 | V | 45.2 | Very low | 48.5 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -21.7 | -179.6 | -178.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 159 | C | 42.8 | Very low | 47.3 | Very low | 104 Ų | 104 | 120.9 Ų | 120.9 | 70% | 0.703 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -16.5 | -178 | -164.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 160 | R | 43.6 | Very low | 46.1 | Very low | 189 Ų | 189 | 120.8 Ų | 120.8 | 71% | 0.713 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -21.8 | -178.5 | -141.6 | -179.1 | -67 | 164.1 | 4.3 | 113.7 | ||
| 161 | K | 43 | Very low | 45.1 | Very low | 165 Ų | 165 | 122.4 Ų | 122.4 | 72% | 0.717 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -92.2 | -13.1 | -178.1 | -68.5 | -179.2 | -177.5 | 172 | 0 | 114.8 | ||
| 162 | S | 40.1 | Very low | 44.4 | Very low | 81 Ų | 81 | 125.9 Ų | 125.9 | 57% | 0.566 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -88.7 | -19.5 | 178.3 | 54.2 | 0 | 0 | 0 | 0 | 114.3 | ||
| 163 | A | 42.1 | Very low | 43.8 | Very low | 78 Ų | 78 | 126.9 Ų | 126.9 | 65% | 0.645 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -17.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 164 | A | 43.4 | Very low | 43.4 | Very low | 90 Ų | 90 | 122.9 Ų | 122.9 | 74% | 0.744 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -3.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 165 | A | 42.6 | Very low | 43 | Very low | 88 Ų | 88 | 121.6 Ų | 121.6 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -108.2 | 6.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 166 | A | 42.7 | Very low | 42.8 | Very low | 80 Ų | 80 | 119.8 Ų | 119.8 | 66% | 0.661 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -106.5 | 13 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 167 | Q | 43 | Very low | 42.7 | Very low | 180 Ų | 180 | 124.7 Ų | 124.7 | 84% | 0.841 | 73% | 0.727 | S | S | * | * | trans | -135.4 | 72.8 | 174.5 | -83.5 | 165.5 | -20.8 | 0 | 0 | 110.6 | ||||
| 168 | L | 39.8 | Very low | 42.6 | Very low | 244 Ų | 244 | 128.5 Ų | 128.5 | 100% | 1.277 | 75% | 0.753 | S | S | * | * | trans | -139.7 | 0 | 146.3 | -88.1 | 170.8 | 0 | 0 | 0 | 106.7 |
Retrieved 168 of 168 residues in 221.8 ms
(Link to these results)