| 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 | S | 45.8 | Very low | 44.6 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 100% | 1.287 | 82% | 0.818 | S | S | * | * | 0 | 111.2 | 0 | -65.7 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 2 | S | 44.3 | Very low | 45.3 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -140.6 | 120.9 | 164.4 | 177.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 3 | K | 42.4 | Very low | 46.8 | Very low | 191 Ų | 191 | 133 Ų | 133 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | trans | -64.2 | 127.7 | -167.7 | -88.4 | 169.7 | 162.7 | 172.6 | 0 | 111.4 | C5 | K3-C5 PolarHBondContact O-N 3.39Å; K3-C5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | Y | 43.6 | Very low | 49.4 | Very low | 223 Ų | 223 | 133.2 Ų | 133.2 | 88% | 0.875 | 78% | 0.777 | S | S | * | * | trans | -64.3 | 104.3 | 153.5 | -83.1 | -97 | 0 | 0 | 0 | 107.6 | C6 | Y4-C6 PolarHBondContact O-N 3.15Š| ||
| 5 | C | 44.6 | Very low | 52.3 | Low | 113 Ų | 113 | 127.5 Ų | 127.5 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | -87.5 | 98.1 | 163.8 | -71.6 | 0 | 0 | 0 | 0 | 106.8 | K3 D7 | K3-C5 PolarHBondContact O-N 3.39Å; K3-C5 VanDerWaalsContact O-N 3.15Å; C5-D7 PolarHBondContact O-N 3.19Å; C5-D7 VanDerWaalsContact O-N 3.12Å | ||
| 6 | C | 44.8 | Very low | 54.9 | Low | 106 Ų | 106 | 123.1 Ų | 123.1 | 72% | 0.716 | 71% | 0.711 | S | S | * | * | trans | -73.6 | 95.2 | 168.6 | -47.8 | 0 | 0 | 0 | 0 | 107 | Y4 T8 | Y4-C6 PolarHBondContact O-N 3.15Å; C6-T8 PolarHBondContact O-N 2.88Å; C6-T8 VanDerWaalsContact O-N 3.15Å; C6-T8 PolarHBondContact O-OG1 3.35Å | ||
| 7 | D | 45.2 | Very low | 57.2 | Low | 159 Ų | 159 | 120.1 Ų | 120.1 | 85% | 0.85 | 69% | 0.692 | S | S | * | * | trans | -70 | 111.8 | 176.4 | -142.6 | -5.4 | 0 | 0 | 0 | 108.4 | C5 G9 | C5-D7 PolarHBondContact O-N 3.19Å; C5-D7 VanDerWaalsContact O-N 3.12Å; D7-G9 VanDerWaalsContact C-N 3.28Å; D7-G9 PolarHBondContact O-N 3.48Å | ||
| 8 | T | 49.5 | Very low | 59.3 | Low | 138 Ų | 138 | 115.9 Ų | 115.9 | 85% | 0.847 | 67% | 0.666 | S | S | * | * | trans | -90.6 | 71.9 | -179.3 | -45.9 | 0 | 0 | 0 | 0 | 106.8 | C6 | C6-T8 PolarHBondContact O-N 2.88Å; C6-T8 VanDerWaalsContact O-N 3.15Å; C6-T8 PolarHBondContact O-OG1 3.35Å | ||
| 9 | G | 40.1 | Very low | 61.2 | Low | 47 Ų | 47 | 113.7 Ų | 113.7 | 49% | 0.485 | 66% | 0.655 | S | S | . | * | trans | -108.4 | 85.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D7 H11 | D7-G9 VanDerWaalsContact C-N 3.28Å; D7-G9 PolarHBondContact O-N 3.48Å; G9-H11 PolarHBondContact O-N 3.3Å | ||
| 10 | N | 43.2 | Very low | 62.8 | Low | 163 Ų | 163 | 111.2 Ų | 111.2 | 87% | 0.872 | 64% | 0.638 | S | S | * | * | trans | 40.3 | 72 | 148.8 | -155 | 29.7 | 0 | 0 | 0 | 117 | G12 | N10-G12 VanDerWaalsContact C-N 3.31Å; N10-G12 PolarHBondContact O-N 2.84Å | ||
| 11 | H | 46.9 | Very low | 64.1 | Low | 139 Ų | 139 | 113.4 Ų | 113.4 | 64% | 0.644 | 65% | 0.648 | S | S | * | * | trans | -73.1 | 83.9 | 173.8 | -59.1 | -70.6 | 0 | 0 | 0 | 110.8 | G9 S13 E14 | G9-H11 PolarHBondContact O-N 3.3Å; H11-S13 PolarHBondContact O-N 2.94Å; H11-S13 VanDerWaalsContact O-N 3.17Å; H11-E14 IonicContact CE1-OE1 3.3Å; H11-E14 PolarHBondContact CE1-OE1 2.53Å; H11-E14 VanDerWaalsContact CE1-OE1 3.3Å; H11-E14 IonicContact ND1-OE1 2.84Å; H11-E14 PolarHBondContact ND1-OE1 3.17Å | ||
| 12 | G | 52.8 | Low | 65.8 | Low | 63 Ų | 63 | 105.5 Ų | 105.5 | 65% | 0.649 | 59% | 0.593 | S | S | * | * | trans | -56.9 | 114.1 | 143.4 | 0 | 0 | 0 | 0 | 0 | 106 | N10 E14 | N10-G12 VanDerWaalsContact C-N 3.31Å; N10-G12 PolarHBondContact O-N 2.84Å; G12-E14 PolarHBondContact O-N 3.2Å | ||
| 13 | S | 65.1 | Low | 67.3 | Low | 85 Ų | 85 | 101.1 Ų | 101.1 | 59% | 0.594 | 56% | 0.562 | S | S | * | * | trans | -28.1 | 106.4 | -171.2 | -157.8 | 0 | 0 | 0 | 0 | 113 | H11 Q109 | H11-S13 PolarHBondContact O-N 2.94Å; H11-S13 VanDerWaalsContact O-N 3.17Å; S13-Q109 VanDerWaalsContact C-OE1 3.3Å; S13-Q109 PolarHBondContact O-NE2 3.3Å; S13-Q109 PolarHBondContact O-OE1 3.43Å; S13-Q109 PolarHBondContact OG-OE1 2.64Å | ||
| 14 | E | 83.3 | Confident | 69.1 | Low | 136 Ų | 136 | 94.4 Ų | 94.4 | 64% | 0.636 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 135.3 | 179.4 | -70.9 | 175.4 | -165.9 | 0 | 0 | 109.2 | H11 G12 Q109 | H11-E14 IonicContact CE1-OE1 3.3Å; H11-E14 PolarHBondContact CE1-OE1 2.53Å; H11-E14 VanDerWaalsContact CE1-OE1 3.3Å; H11-E14 IonicContact ND1-OE1 2.84Å; H11-E14 PolarHBondContact ND1-OE1 3.17Å; G12-E14 PolarHBondContact O-N 3.2Å; E14-Q109 PolarHBondContact O-OE1 3.39Å |
| 15 | D | 92.5 | Very high | 71.1 | Confident | 48 Ų | 48 | 85.4 Ų | 85.4 | 26% | 0.257 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 146 | 176.1 | -64.9 | -42.4 | 0 | 0 | 0 | 110.6 | L17 T106 G107 A108 Q109 | D15-L17 PolarHBondContact O-N 3.17Å; D15-T106 WeakPolarHBondContact OD2-CA 3.44Å; D15-G107 WeakPolarHBondContact OD1-CA 3.36Å; D15-G107 PolarHBondContact OD1-N 2.59Å; D15-A108 CarbonylContact C-O 3.49Å; D15-A108 WeakPolarHBondContact CA-O 3.41Å; D15-Q109 PolarHBondContact OD1-NE2 3.11Å |
| 16 | F | 93.9 | Very high | 73.3 | Confident | 57 Ų | 57 | 82.1 Ų | 82.1 | 25% | 0.25 | 48% | 0.48 | C | S | . | . | P | Polyproline II helix | trans | -55.4 | 133.9 | 172.8 | 175.4 | -95.2 | 0 | 0 | 0 | 110.9 | L18 A108 A111 F114 | F16-L18 HydrophobicContact CE1-CB 4.07Å; F16-A108 WeakPolarHBondContact CB-O 3.45Å; F16-A108 PolarHBondContact N-O 3.15Å; F16-A111 HydrophobicContact CD2-CB 4.25Å; F16-A111 HydrophobicContact CE1-CB 4.31Å; F16-A111 HydrophobicContact CE2-CB 3.62Å; F16-A111 HydrophobicContact CZ-CB 3.65Å; F16-F114 HydrophobicContact CD1-CB 3.76Å; F16-F114 AromaticContact CD1-CD2 3.62Å; F16-F114 HydrophobicContact CD1-CD2 3.62Å; F16-F114 HydrophobicContact CD1-CE2 4.39Å; F16-F114 AromaticContact CD1-CG 3.77Å; F16-F114 HydrophobicContact CD1-CG 3.77Å; F16-F114 HydrophobicContact CE1-CB 3.99Å; F16-F114 HydrophobicContact CE1-CD1 4.44Å; F16-F114 HydrophobicContact CE1-CD2 4.15Å; F16-F114 AromaticContact CE1-CG 3.93Å; F16-F114 HydrophobicContact CE1-CG 3.93Å |
| 17 | L | 94.5 | Very high | 75.6 | Confident | 72 Ų | 72 | 77.9 Ų | 77.9 | 38% | 0.377 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 112.8 | -179.8 | -167.7 | 71.3 | 0 | 0 | 0 | 110.4 | D15 V19 Q102 R104 | D15-L17 PolarHBondContact O-N 3.17Å; L17-V19 HydrophobicContact CD2-CG2 3.9Å; L17-V19 HydrophobicContact CG-CG2 4.03Å; L17-Q102 HydrophobicContact CD1-CB 4.08Å; L17-Q102 HydrophobicContact CD2-CB 4.39Å; L17-Q102 HydrophobicContact CG-CB 4.4Å; L17-R104 HydrophobicContact CD1-CB 4.02Å |
| 18 | L | 95.4 | Very high | 77.9 | Confident | 45 Ų | 45 | 74.9 Ų | 74.9 | 24% | 0.236 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 117.7 | 168.1 | 176.3 | 64.5 | 0 | 0 | 0 | 108.8 | F16 L20 Q102 I103 F114 I118 | F16-L18 HydrophobicContact CE1-CB 4.07Å; L18-L20 HydrophobicContact CD1-CD2 4.13Å; L18-L20 HydrophobicContact CD2-CD2 4.37Å; L18-L20 HydrophobicContact CG-CD2 4.2Å; L18-L20 HydrophobicContact CG-CG 4.32Å; L18-Q102 CarbonylContact O-C 3.57Å; L18-Q102 WeakPolarHBondContact O-CA 3.39Å; L18-I103 HydrophobicContact CB-CB 4.36Å; L18-I103 HydrophobicContact CD2-CD1 4.25Å; L18-I103 PolarHBondContact N-O 3.01Å; L18-I103 PolarHBondContact O-N 2.8Å; L18-F114 HydrophobicContact CB-CE1 4Å; L18-F114 HydrophobicContact CB-CE2 4.43Å; L18-F114 HydrophobicContact CB-CZ 3.9Å; L18-F114 HydrophobicContact CD2-CD1 4.4Å; L18-F114 HydrophobicContact CD2-CE1 3.61Å; L18-F114 HydrophobicContact CD2-CZ 4.13Å; L18-F114 HydrophobicContact CG-CE1 4.44Å; L18-I118 HydrophobicContact CD2-CD1 3.97Å |
| 19 | V | 94.3 | Very high | 80.2 | Confident | 74 Ų | 74 | 71.2 Ų | 71.2 | 45% | 0.448 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 121.2 | 175.9 | -174.3 | 0 | 0 | 0 | 0 | 108.8 | L17 Q102 | L17-V19 HydrophobicContact CD2-CG2 3.9Å; L17-V19 HydrophobicContact CG-CG2 4.03Å; V19-Q102 HydrophobicContact CG1-CG 4.47Å; V19-Q102 HydrophobicContact CG2-CG 4.36Å |
| 20 | L | 93 | Very high | 82.9 | Confident | 62 Ų | 62 | 69.1 Ų | 69.1 | 33% | 0.325 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 126.8 | 175.6 | -60.2 | 179 | 0 | 0 | 0 | 109.3 | L18 C22 S100 L101 I103 I120 | L18-L20 HydrophobicContact CD1-CD2 4.13Å; L18-L20 HydrophobicContact CD2-CD2 4.37Å; L18-L20 HydrophobicContact CG-CD2 4.2Å; L18-L20 HydrophobicContact CG-CG 4.32Å; L20-C22 PolarHBondContact O-N 3.12Å; L20-C22 VanDerWaalsContact O-N 3.1Å; L20-S100 CarbonylContact O-C 3.47Å; L20-S100 WeakPolarHBondContact O-CA 3.34Å; L20-S100 WeakPolarHBondContact O-CB 3.41Å; L20-L101 HydrophobicContact CB-CB 4.43Å; L20-L101 HydrophobicContact CD1-CD2 4.34Å; L20-L101 PolarHBondContact N-O 2.97Å; L20-L101 PolarHBondContact O-N 2.75Å; L20-I103 HydrophobicContact CD1-CD1 4.1Å; L20-I120 HydrophobicContact CD1-CD1 3.74Å |
| 21 | D | 90.1 | Very high | 85.5 | Confident | 158 Ų | 158 | 62 Ų | 62 | 85% | 0.845 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 106.9 | 173 | -71.8 | -23.4 | 0 | 0 | 0 | 109.5 | ||
| 22 | C | 81.6 | Confident | 87.9 | Confident | 19 Ų | 19 | 55.6 Ų | 55.6 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | trans | -154.2 | 138.8 | 176.7 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | L20 L25 W99 S100 L101 | L20-C22 PolarHBondContact O-N 3.12Å; L20-C22 VanDerWaalsContact O-N 3.1Å; C22-L25 HydrophobicContact CB-CD1 3.65Å; C22-L25 HydrophobicContact CB-CG 4.2Å; C22-W99 CarbonylContact C-O 3.57Å; C22-W99 PolarHBondContact N-O 2.75Å; C22-W99 CarbonylContact O-C 2.82Å; C22-W99 WeakPolarHBondContact O-CA 3.28Å; C22-S100 PolarHBondContact O-N 3.45Å; C22-L101 WeakPolarHBondContact SG-CB 3.25Å; C22-L101 PolarHBondContact SG-N 3Å; C22-L101 VanDerWaalsContact SG-N 3.36Å | ||
| 23 | C | 75.8 | Confident | 89.9 | Confident | 26 Ų | 26 | 53 Ų | 53 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -113.9 | 153 | 178.7 | -26.1 | 0 | 0 | 0 | 0 | 110.1 | L25 T98 W99 S130 | C23-L25 PolarHBondContact O-N 3.04Å; C23-T98 WeakPolarHBondContact CA-O 3.26Å; C23-W99 HydrophobicContact CB-CE3 3.93Å; C23-W99 HydrophobicContact CB-CZ3 4.01Å; C23-W99 VanDerWaalsContact SG-CZ3 3.52Å; C23-S130 VanDerWaalsContact C-OG 3.25Å; C23-S130 VanDerWaalsContact CA-OG 3.25Å; C23-S130 WeakPolarHBondContact CA-OG 3.42Å; C23-S130 WeakPolarHBondContact CB-OG 3.48Å; C23-S130 PolarHBondContact N-OG 3.17Å; C23-S130 VanDerWaalsContact O-CB 3.22Å; C23-S130 WeakPolarHBondContact O-CB 3.41Å; C23-S130 PolarHBondContact O-OG 3.43Å |
| 24 | D | 80.4 | Confident | 91.3 | Very high | 50 Ų | 50 | 50.5 Ų | 50.5 | 27% | 0.267 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 57.9 | 21.6 | 168.7 | -50.9 | -50.4 | 0 | 0 | 0 | 115.8 | G128 R129 | D24-G128 VanDerWaalsContact CB-CA 3.4Å; D24-G128 WeakPolarHBondContact OD2-CA 3.47Å; D24-R129 PolarHBondContact OD2-N 2.9Å |
| 25 | L | 86.2 | Confident | 91.8 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 17% | 0.173 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 122.2 | 172.9 | -61.1 | -172 | 0 | 0 | 0 | 109.9 | C22 C23 V27 Y122 T124 V131 | C22-L25 HydrophobicContact CB-CD1 3.65Å; C22-L25 HydrophobicContact CB-CG 4.2Å; C23-L25 PolarHBondContact O-N 3.04Å; L25-V27 HydrophobicContact CB-CG2 4.26Å; L25-V27 PolarHBondContact O-N 2.73Å; L25-Y122 HydrophobicContact CD2-CD2 3.72Å; L25-Y122 HydrophobicContact CD2-CE2 4.04Å; L25-Y122 HydrophobicContact CD2-CG 4.43Å; L25-T124 HydrophobicContact CD2-CG2 4.16Å; L25-V131 HydrophobicContact CD2-CG2 4.46Å |
| 26 | S | 89.9 | Confident | 91.8 | Very high | 44 Ų | 44 | 43.2 Ų | 43.2 | 31% | 0.308 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 95.3 | 166 | -65 | 0 | 0 | 0 | 0 | 108.4 | Y122 K123 K125 | S26-Y122 CarbonylContact O-C 3.56Å; S26-Y122 VanDerWaalsContact O-CA 3.31Å; S26-Y122 WeakPolarHBondContact O-CA 3.38Å; S26-K123 PolarHBondContact N-O 2.95Å; S26-K123 PolarHBondContact O-N 3.18Å; S26-K125 WeakPolarHBondContact OG-CE 3.31Å |
| 27 | V | 93.4 | Very high | 91.7 | Very high | 17 Ų | 17 | 43 Ų | 43 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 130.5 | 179.9 | -176.5 | 0 | 0 | 0 | 0 | 110 | L25 V30 F94 T96 L101 I120 | L25-V27 HydrophobicContact CB-CG2 4.26Å; L25-V27 PolarHBondContact O-N 2.73Å; V27-V30 HydrophobicContact CG1-CG2 3.78Å; V27-F94 HydrophobicContact CB-CD2 3.98Å; V27-F94 HydrophobicContact CB-CE2 3.61Å; V27-F94 HydrophobicContact CB-CZ 4.32Å; V27-F94 HydrophobicContact CG1-CD2 3.66Å; V27-F94 HydrophobicContact CG1-CE1 4.37Å; V27-F94 HydrophobicContact CG1-CE2 3.46Å; V27-F94 VanDerWaalsContact CG1-CE2 3.46Å; V27-F94 HydrophobicContact CG1-CG 4.22Å; V27-F94 HydrophobicContact CG1-CZ 3.84Å; V27-F94 WeakPolarHBondContact O-CE2 3.48Å; V27-T96 HydrophobicContact CB-CG2 3.63Å; V27-T96 HydrophobicContact CG2-CG2 3.48Å; V27-T96 VanDerWaalsContact CG2-CG2 3.48Å; V27-L101 HydrophobicContact CB-CD1 4.4Å; V27-L101 HydrophobicContact CG1-CD1 4.31Å; V27-L101 HydrophobicContact CG2-CD1 4Å; V27-L101 HydrophobicContact CG2-CD2 3.95Å; V27-L101 HydrophobicContact CG2-CG 4.46Å; V27-I120 HydrophobicContact CG1-CG2 3.86Å; V27-I120 HydrophobicContact CG2-CG2 4.25Å |
| 28 | L | 94.9 | Very high | 91.7 | Very high | 97 Ų | 97 | 40 Ų | 40 | 51% | 0.508 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | -36.6 | -175.3 | -55.6 | 174.8 | 0 | 0 | 0 | 111.8 | W121 K123 | L28-W121 HydrophobicContact CB-CB 4.28Å; L28-W121 PolarHBondContact N-O 3.43Å; L28-K123 HydrophobicContact CD1-CD 4.21Å; L28-K123 HydrophobicContact CD1-CG 4.1Å; L28-K123 HydrophobicContact CD2-CD 4.34Å |
| 29 | K | 96.8 | Very high | 91.5 | Very high | 61 Ų | 61 | 42.1 Ų | 42.1 | 27% | 0.265 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.9 | 141.4 | -175.2 | -176.4 | -177.5 | -168.5 | -174.6 | 0 | 109.5 | E31 E91 W121 | K29-E31 VanDerWaalsContact CE-OE2 3.26Å; K29-E31 WeakPolarHBondContact CE-OE2 3.5Å; K29-E31 IonicContact NZ-OE2 3.17Å; K29-E31 PolarHBondContact NZ-OE2 3.21Å; K29-E91 WeakPolarHBondContact CE-OE1 3.44Å; K29-E91 IonicContact NZ-OE1 3.11Å; K29-E91 PolarHBondContact NZ-OE1 3.3Å; K29-E91 VanDerWaalsContact NZ-OE1 3.11Å; K29-W121 HydrophobicContact CB-CB 4.08Å; K29-W121 HydrophobicContact CB-CG 4.16Å; K29-W121 PolarHBondContact N-O 2.96Å; K29-W121 PolarHBondContact O-N 3.45Å |
| 30 | V | 97.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 134.3 | 164.9 | -173.1 | 0 | 0 | 0 | 0 | 108 | V27 L92 F94 I103 I118 R119 I120 | V27-V30 HydrophobicContact CG1-CG2 3.78Å; V30-L92 HydrophobicContact CB-CB 4.18Å; V30-L92 HydrophobicContact CG1-CB 3.95Å; V30-L92 HydrophobicContact CG1-CD1 4.02Å; V30-L92 HydrophobicContact CG1-CG 4.43Å; V30-L92 PolarHBondContact O-N 3.39Å; V30-F94 HydrophobicContact CB-CB 4.41Å; V30-F94 HydrophobicContact CB-CD1 4.02Å; V30-F94 HydrophobicContact CB-CG 4.43Å; V30-F94 HydrophobicContact CG2-CB 3.77Å; V30-F94 HydrophobicContact CG2-CD1 3.62Å; V30-F94 HydrophobicContact CG2-CD2 4.4Å; V30-F94 HydrophobicContact CG2-CE1 4.34Å; V30-F94 HydrophobicContact CG2-CG 3.66Å; V30-I103 HydrophobicContact CG1-CD1 4.02Å; V30-I103 HydrophobicContact CG1-CG1 4.43Å; V30-I103 HydrophobicContact CG1-CG2 3.85Å; V30-I103 HydrophobicContact CG2-CD1 4.47Å; V30-I103 HydrophobicContact CG2-CG1 4.5Å; V30-I118 HydrophobicContact CG1-CD1 4.36Å; V30-R119 WeakPolarHBondContact CA-O 3.36Å; V30-I120 HydrophobicContact CG1-CG1 4.16Å; V30-I120 HydrophobicContact CG2-CG1 4.23Å; V30-I120 HydrophobicContact CG2-CG2 4.36Å |
| 31 | E | 97.4 | Very high | 91.2 | Very high | 13 Ų | 13 | 36.5 Ų | 36.5 | 6% | 0.061 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 150.1 | 178.3 | 66.2 | -169.5 | 165.5 | 0 | 0 | 111.9 | K29 G90 I118 R119 W121 | K29-E31 VanDerWaalsContact CE-OE2 3.26Å; K29-E31 WeakPolarHBondContact CE-OE2 3.5Å; K29-E31 IonicContact NZ-OE2 3.17Å; K29-E31 PolarHBondContact NZ-OE2 3.21Å; E31-G90 CarbonylContact C-O 3.6Å; E31-G90 WeakPolarHBondContact CA-O 3.16Å; E31-G90 WeakPolarHBondContact CB-O 3.32Å; E31-I118 CarbonylContact O-C 3.5Å; E31-I118 VanDerWaalsContact O-CA 3.26Å; E31-I118 WeakPolarHBondContact O-CA 3.31Å; E31-R119 HydrophobicContact CG-CB 4.08Å; E31-R119 PolarHBondContact N-O 3.07Å; E31-R119 PolarHBondContact O-N 3.39Å; E31-R119 IonicContact OE1-CZ 2.79Å; E31-R119 IonicContact OE1-NE 2.7Å; E31-R119 PolarHBondContact OE1-NE 3.49Å; E31-R119 IonicContact OE1-NH2 3.5Å; E31-R119 PolarHBondContact OE1-NH2 2.85Å; E31-W121 PolarHBondContact OE1-NE1 3.23Å |
| 32 | E | 95.9 | Very high | 90.9 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 139 | 166.6 | 179.8 | 173.4 | 172.5 | 0 | 0 | 110.1 | R58 G88 C89 G90 K105 P115 | E32-R58 IonicContact OE1-CZ 3.16Å; E32-R58 IonicContact OE1-NE 2.74Å; E32-R58 PolarHBondContact OE1-NE 3.28Å; E32-R58 IonicContact OE1-NH2 2.75Å; E32-R58 PolarHBondContact OE1-NH2 3.4Å; E32-R58 IonicContact OE2-NH2 3.75Å; E32-G88 CarbonylContact O-C 3.59Å; E32-G88 VanDerWaalsContact O-CA 3.28Å; E32-G88 WeakPolarHBondContact O-CA 3.34Å; E32-C89 PolarHBondContact O-N 3.35Å; E32-G90 PolarHBondContact N-O 3.02Å; E32-K105 IonicContact OE2-NZ 2.8Å; E32-K105 PolarHBondContact OE2-NZ 3.01Å; E32-P115 HydrophobicContact CB-CB 4.15Å; E32-P115 HydrophobicContact CB-CG 4.14Å; E32-P115 HydrophobicContact CG-CB 3.64Å; E32-P115 HydrophobicContact CG-CG 3.94Å; E32-P115 VanDerWaalsContact OE2-CG 3.29Å; E32-P115 WeakPolarHBondContact OE2-CG 3.02Å |
| 33 | V | 95.5 | Very high | 91.2 | Very high | 9 Ų | 9 | 38.2 Ų | 38.2 | 6% | 0.055 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 128.5 | -177.4 | 180 | 0 | 0 | 0 | 0 | 110.4 | V35 C83 A86 A117 R119 | V33-V35 VanDerWaalsContact C-N 3.34Å; V33-V35 HydrophobicContact CG1-CG1 4.23Å; V33-V35 PolarHBondContact O-N 3.11Å; V33-C83 WeakPolarHBondContact CG1-O 3.18Å; V33-A86 HydrophobicContact CG1-CB 3.62Å; V33-A117 HydrophobicContact CB-CB 4.21Å; V33-A117 PolarHBondContact N-O 2.78Å; V33-R119 HydrophobicContact CG2-CB 3.63Å |
| 34 | D | 94.4 | Very high | 91.8 | Very high | 32 Ų | 32 | 38 Ų | 38 | 17% | 0.171 | 21% | 0.214 | C | C | . | . | trans | -81.4 | 79 | 176.7 | -167.7 | 5.9 | 0 | 0 | 0 | 112.1 | A36 A37 R58 P87 C89 | D34-A36 PolarHBondContact O-N 2.75Å; D34-A36 WeakPolarHBondContact OD1-CB 3.37Å; D34-A36 PolarHBondContact OD1-N 3.34Å; D34-A37 HydrophobicContact CB-CB 4.3Å; D34-A37 WeakPolarHBondContact O-CB 3.27Å; D34-A37 PolarHBondContact O-N 3.22Å; D34-A37 VanDerWaalsContact O-N 3.14Å; D34-R58 WeakPolarHBondContact OD1-CD 3.39Å; D34-P87 HydrophobicContact CB-CG 4.21Å; D34-P87 WeakPolarHBondContact CB-O 3.38Å; D34-P87 PolarHBondContact N-O 3.42Å; D34-C89 HydrophobicContact CB-CB 3.94Å | ||
| 35 | V | 94.1 | Very high | 91.7 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -63.8 | -19.8 | 177.5 | -61.9 | 0 | 0 | 0 | 0 | 113.3 | V33 A37 V38 R58 I61 V62 C83 A117 | V33-V35 VanDerWaalsContact C-N 3.34Å; V33-V35 HydrophobicContact CG1-CG1 4.23Å; V33-V35 PolarHBondContact O-N 3.11Å; V35-A37 VanDerWaalsContact C-N 3.29Å; V35-V38 PolarHBondContact O-N 3.46Å; V35-R58 HydrophobicContact CG2-CB 4.01Å; V35-R58 HydrophobicContact CG2-CG 4.39Å; V35-I61 HydrophobicContact CB-CG2 4.32Å; V35-I61 HydrophobicContact CG2-CB 4.04Å; V35-I61 HydrophobicContact CG2-CG2 3.91Å; V35-V62 HydrophobicContact CG1-CG2 4.17Å; V35-V62 HydrophobicContact CG2-CG2 3.97Å; V35-C83 HydrophobicContact CG1-CB 4.29Å; V35-A117 HydrophobicContact CG1-CB 3.82Å |
| 36 | A | 92.4 | Very high | 90.9 | Very high | 27 Ų | 27 | 45.8 Ų | 45.8 | 22% | 0.223 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -72.2 | -24.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | D34 V38 V53 F57 R58 I61 | D34-A36 PolarHBondContact O-N 2.75Å; D34-A36 WeakPolarHBondContact OD1-CB 3.37Å; D34-A36 PolarHBondContact OD1-N 3.34Å; A36-V38 PolarHBondContact O-N 3.21Å; A36-V53 HydrophobicContact CB-CG1 3.54Å; A36-V53 HydrophobicContact CB-CG2 4.46Å; A36-F57 HydrophobicContact CB-CD1 3.77Å; A36-F57 HydrophobicContact CB-CE1 3.53Å; A36-R58 HydrophobicContact CB-CG 4.25Å; A36-I61 HydrophobicContact CB-CD1 3.98Å |
| 37 | A | 92.8 | Very high | 89.5 | Confident | 52 Ų | 52 | 46.1 Ų | 46.1 | 43% | 0.43 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -76.9 | -6.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | D34 V35 P87 | D34-A37 HydrophobicContact CB-CB 4.3Å; D34-A37 WeakPolarHBondContact O-CB 3.27Å; D34-A37 PolarHBondContact O-N 3.22Å; D34-A37 VanDerWaalsContact O-N 3.14Å; V35-A37 VanDerWaalsContact C-N 3.29Å; A37-P87 HydrophobicContact CB-CG 3.82Å |
| 38 | V | 93.7 | Very high | 87.7 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -86.1 | 123.7 | -179.1 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | V35 A36 L41 R82 A86 | V35-V38 PolarHBondContact O-N 3.46Å; A36-V38 PolarHBondContact O-N 3.21Å; V38-L41 HydrophobicContact CB-CD1 3.36Å; V38-L41 HydrophobicContact CG1-CD1 3.35Å; V38-L41 HydrophobicContact CG2-CD1 4.2Å; V38-L41 PolarHBondContact O-N 3.48Å; V38-R82 HydrophobicContact CG1-CB 3.74Å; V38-A86 HydrophobicContact CG2-CB 3.45Å; V38-A86 VanDerWaalsContact CG2-CB 3.45Å |
| 39 | P | 90.8 | Very high | 85.8 | Confident | 90 Ų | 90 | 54.5 Ų | 54.5 | 58% | 0.584 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 145.9 | -176.6 | -23.3 | 31.6 | 0 | 0 | 0 | 113.3 | L41 R82 | P39-L41 PolarHBondContact O-N 3.2Å; P39-R82 VanDerWaalsContact O-CZ 3.3Å; P39-R82 PolarHBondContact O-NH1 2.9Å; P39-R82 PolarHBondContact O-NH2 3.37Å |
| 40 | G | 89.8 | Confident | 83.8 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 18% | 0.175 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | -1.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | E42 K43 Y79 | G40-E42 VanDerWaalsContact CA-OE1 3.25Å; G40-E42 WeakPolarHBondContact CA-OE1 3.4Å; G40-E42 WeakPolarHBondContact CA-OE2 3.21Å; G40-E42 PolarHBondContact N-OE1 3.06Å; G40-E42 PolarHBondContact N-OE2 3.47Å; G40-K43 WeakPolarHBondContact O-CD 3.29Å; G40-K43 WeakPolarHBondContact O-CG 3.31Å; G40-Y79 PolarHBondContact O-OH 2.89Å; G40-Y79 VanDerWaalsContact O-OH 3.11Å |
| 41 | L | 91 | Very high | 81.7 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | trans | -88.8 | -11.2 | 170.7 | -83.4 | 132.6 | 0 | 0 | 0 | 112.6 | V38 P39 K43 F44 I61 L65 Y79 | V38-L41 HydrophobicContact CB-CD1 3.36Å; V38-L41 HydrophobicContact CG1-CD1 3.35Å; V38-L41 HydrophobicContact CG2-CD1 4.2Å; V38-L41 PolarHBondContact O-N 3.48Å; P39-L41 PolarHBondContact O-N 3.2Å; L41-K43 PolarHBondContact O-N 3.23Å; L41-K43 VanDerWaalsContact O-N 3.11Å; L41-F44 HydrophobicContact CB-CD2 4.18Å; L41-F44 HydrophobicContact CD2-CD2 3.6Å; L41-F44 HydrophobicContact CD2-CE2 3.71Å; L41-F44 HydrophobicContact CG-CD2 4.05Å; L41-F44 HydrophobicContact CG-CE2 4.12Å; L41-F44 WeakPolarHBondContact O-CB 3.21Å; L41-F44 WeakPolarHBondContact O-CD2 3.43Å; L41-F44 PolarHBondContact O-N 3.39Å; L41-I61 HydrophobicContact CB-CG2 3.93Å; L41-I61 HydrophobicContact CD2-CG2 3.39Å; L41-I61 HydrophobicContact CG-CG2 4.21Å; L41-L65 HydrophobicContact CD2-CD1 4.45Å; L41-L65 HydrophobicContact CD2-CD2 4.04Å; L41-Y79 HydrophobicContact CD1-CD1 3.73Å; L41-Y79 HydrophobicContact CD1-CE1 4.27Å; L41-Y79 HydrophobicContact CD2-CD1 4.22Å; L41-Y79 HydrophobicContact CD2-CG 4.47Å; L41-Y79 HydrophobicContact CG-CD1 3.73Å; L41-Y79 HydrophobicContact CG-CE1 3.97Å; L41-Y79 HydrophobicContact CG-CG 4.45Å | ||
| 42 | E | 85.1 | Confident | 79.8 | Confident | 114 Ų | 114 | 67 Ų | 67 | 53% | 0.533 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -57.3 | -25.3 | 171.4 | 66 | -76.8 | 172.6 | 0 | 0 | 112.7 | G40 F44 T45 | G40-E42 VanDerWaalsContact CA-OE1 3.25Å; G40-E42 WeakPolarHBondContact CA-OE1 3.4Å; G40-E42 WeakPolarHBondContact CA-OE2 3.21Å; G40-E42 PolarHBondContact N-OE1 3.06Å; G40-E42 PolarHBondContact N-OE2 3.47Å; E42-F44 PolarHBondContact O-N 3.37Å; E42-T45 VanDerWaalsContact O-CB 3.29Å; E42-T45 WeakPolarHBondContact O-CB 3.47Å; E42-T45 VanDerWaalsContact O-CG2 3.28Å; E42-T45 WeakPolarHBondContact O-CG2 3.29Å; E42-T45 PolarHBondContact O-N 3.25Å; E42-T45 VanDerWaalsContact O-N 3.08Å; E42-T45 PolarHBondContact O-OG1 3.24Å |
| 43 | K | 87.6 | Confident | 78.2 | Confident | 100 Ų | 100 | 70 Ų | 70 | 44% | 0.435 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -66.6 | -18.7 | 176.4 | 76.9 | -172.4 | -171.7 | -179.2 | 0 | 114.2 | G40 L41 E75 Y79 | G40-K43 WeakPolarHBondContact O-CD 3.29Å; G40-K43 WeakPolarHBondContact O-CG 3.31Å; L41-K43 PolarHBondContact O-N 3.23Å; L41-K43 VanDerWaalsContact O-N 3.11Å; K43-E75 IonicContact NZ-OE1 2.72Å; K43-E75 PolarHBondContact NZ-OE1 3.02Å; K43-Y79 WeakPolarHBondContact CE-OH 3.27Å; K43-Y79 PolarHBondContact NZ-OH 3.46Å |
| 44 | F | 87.4 | Confident | 77.4 | Confident | 21 Ų | 21 | 71.7 Ų | 71.7 | 9% | 0.092 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -84.3 | 2.2 | 175.9 | -63.8 | -67.6 | 0 | 0 | 0 | 112.3 | L41 E42 E64 L65 L68 Y79 | L41-F44 HydrophobicContact CB-CD2 4.18Å; L41-F44 HydrophobicContact CD2-CD2 3.6Å; L41-F44 HydrophobicContact CD2-CE2 3.71Å; L41-F44 HydrophobicContact CG-CD2 4.05Å; L41-F44 HydrophobicContact CG-CE2 4.12Å; L41-F44 WeakPolarHBondContact O-CB 3.21Å; L41-F44 WeakPolarHBondContact O-CD2 3.43Å; L41-F44 PolarHBondContact O-N 3.39Å; E42-F44 PolarHBondContact O-N 3.37Å; F44-E64 HydrophobicContact CB-CB 3.91Å; F44-E64 HydrophobicContact CD1-CB 3.82Å; F44-E64 HydrophobicContact CG-CB 4.21Å; F44-L65 HydrophobicContact CE2-CD1 4.23Å; F44-L65 HydrophobicContact CZ-CD1 4.14Å; F44-L68 HydrophobicContact CE1-CD1 4.34Å; F44-L68 HydrophobicContact CE1-CD2 3.87Å; F44-L68 HydrophobicContact CE1-CG 4.15Å; F44-L68 HydrophobicContact CZ-CD1 4.07Å; F44-L68 HydrophobicContact CZ-CD2 4.32Å; F44-L68 HydrophobicContact CZ-CG 4.39Å; F44-Y79 HydrophobicContact CE2-CD2 4.13Å; F44-Y79 AromaticContact CE2-CE2 3.92Å; F44-Y79 HydrophobicContact CE2-CE2 3.92Å; F44-Y79 HydrophobicContact CZ-CD2 4.2Å; F44-Y79 AromaticContact CZ-CE2 3.97Å; F44-Y79 HydrophobicContact CZ-CE2 3.97Å |
| 45 | T | 79.5 | Confident | 76.7 | Confident | 37 Ų | 37 | 72.5 Ų | 72.5 | 23% | 0.227 | 40% | 0.403 | C | S | . | . | trans | -92.7 | 130.7 | 179.3 | 74.4 | 0 | 0 | 0 | 0 | 108.9 | E42 F57 I61 | E42-T45 VanDerWaalsContact O-CB 3.29Å; E42-T45 WeakPolarHBondContact O-CB 3.47Å; E42-T45 VanDerWaalsContact O-CG2 3.28Å; E42-T45 WeakPolarHBondContact O-CG2 3.29Å; E42-T45 PolarHBondContact O-N 3.25Å; E42-T45 VanDerWaalsContact O-N 3.08Å; E42-T45 PolarHBondContact O-OG1 3.24Å; T45-F57 HydrophobicContact CG2-CD2 4.2Å; T45-F57 HydrophobicContact CG2-CE1 4.22Å; T45-F57 HydrophobicContact CG2-CE2 3.23Å; T45-F57 HydrophobicContact CG2-CZ 3.26Å; T45-I61 HydrophobicContact CG2-CD1 4.09Å; T45-I61 HydrophobicContact CG2-CG1 3.95Å | ||
| 46 | R | 68.3 | Low | 76.2 | Confident | 210 Ų | 210 | 79.3 Ų | 79.3 | 79% | 0.792 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -85.1 | -12.6 | -179 | -160.1 | 177.2 | -69.6 | 176.8 | 1.8 | 112.4 | E64 | R46-E64 IonicContact NH2-OE1 3.17Å; R46-E64 PolarHBondContact NH2-OE1 3.42Å; R46-E64 VanDerWaalsContact NH2-OE1 3.17Å |
| 47 | S | 61.4 | Low | 75.9 | Confident | 51 Ų | 51 | 79.5 Ų | 79.5 | 36% | 0.357 | 43% | 0.43 | S | S | . | . | trans | -147.8 | 133.3 | -179.7 | -175.7 | 0 | 0 | 0 | 0 | 112.9 | E49 | S47-E49 VanDerWaalsContact C-N 3.29Å; S47-E49 PolarHBondContact O-N 3.03Å; S47-E49 PolarHBondContact OG-N 3.24Å | ||
| 48 | P | 54.7 | Low | 75.8 | Confident | 127 Ų | 127 | 78.5 Ų | 78.5 | 83% | 0.825 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | 0.8 | 175.2 | 31.3 | -33 | 0 | 0 | 0 | 114.6 | L50 | P48-L50 PolarHBondContact O-N 3.38Š|
| 49 | E | 56.2 | Low | 75.7 | Confident | 162 Ų | 162 | 78.4 Ų | 78.4 | 76% | 0.757 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -6 | -171.1 | -67.7 | -174.3 | 161.3 | 0 | 0 | 115.2 | S47 T51 | S47-E49 VanDerWaalsContact C-N 3.29Å; S47-E49 PolarHBondContact O-N 3.03Å; S47-E49 PolarHBondContact OG-N 3.24Å; E49-T51 PolarHBondContact O-N 3.3Å |
| 50 | L | 54.4 | Low | 75.7 | Confident | 91 Ų | 91 | 76.8 Ų | 76.8 | 48% | 0.476 | 40% | 0.399 | S | S | . | . | trans | -82 | 84.9 | 177.4 | -74.8 | 166.7 | 0 | 0 | 0 | 110.4 | P48 V52 F57 | P48-L50 PolarHBondContact O-N 3.38Å; L50-V52 PolarHBondContact O-N 3.05Å; L50-F57 HydrophobicContact CB-CD2 4.3Å; L50-F57 HydrophobicContact CD1-CB 4.26Å; L50-F57 HydrophobicContact CD1-CD2 3.83Å | ||
| 51 | T | 53.3 | Low | 75.9 | Confident | 141 Ų | 141 | 76 Ų | 76 | 87% | 0.865 | 39% | 0.391 | S | S | * | . | trans | -69.7 | -5 | 177.5 | 45.9 | 0 | 0 | 0 | 0 | 114.1 | E49 | E49-T51 PolarHBondContact O-N 3.3Š| ||
| 52 | V | 57.9 | Low | 76 | Confident | 108 Ų | 108 | 76.9 Ų | 76.9 | 66% | 0.655 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -126.1 | 127.7 | 170.7 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | L50 S54 | L50-V52 PolarHBondContact O-N 3.05Å; V52-S54 PolarHBondContact O-N 2.63Å |
| 53 | V | 62.5 | Low | 76.4 | Confident | 69 Ų | 69 | 76.4 Ų | 76.4 | 42% | 0.418 | 39% | 0.39 | S | S | . | . | trans | -66.4 | 84.1 | 174.2 | -176.3 | 0 | 0 | 0 | 0 | 108.5 | A36 F57 R58 | A36-V53 HydrophobicContact CB-CG1 3.54Å; A36-V53 HydrophobicContact CB-CG2 4.46Å; V53-F57 HydrophobicContact CG1-CD1 3.98Å; V53-R58 HydrophobicContact CG1-CG 3.92Å; V53-R58 PolarHBondContact O-NH1 3.08Å | ||
| 54 | S | 77.5 | Confident | 76.7 | Confident | 44 Ų | 44 | 74.3 Ų | 74.3 | 31% | 0.308 | 38% | 0.381 | S | S | . | . | trans | -72 | 157.7 | 174.8 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | V52 E56 F57 R58 | V52-S54 PolarHBondContact O-N 2.63Å; S54-E56 PolarHBondContact O-N 3.48Å; S54-F57 VanDerWaalsContact O-CB 3.27Å; S54-F57 WeakPolarHBondContact O-CB 3.41Å; S54-F57 PolarHBondContact O-N 3.2Å; S54-R58 PolarHBondContact O-N 3.49Å | ||
| 55 | E | 81.4 | Confident | 77.1 | Confident | 48 Ų | 48 | 73.6 Ų | 73.6 | 22% | 0.224 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -54.8 | -40.6 | 170.2 | 175.3 | 160.7 | -159.9 | 0 | 0 | 112.5 | F57 R58 N59 K105 | E55-F57 PolarHBondContact O-N 2.97Å; E55-R58 PolarHBondContact O-N 3.46Å; E55-N59 WeakPolarHBondContact O-CB 3.44Å; E55-N59 PolarHBondContact O-N 3.45Å; E55-K105 IonicContact OE1-NZ 2.71Å; E55-K105 PolarHBondContact OE1-NZ 2.89Å; E55-K105 IonicContact OE2-NZ 2.67Å; E55-K105 PolarHBondContact OE2-NZ 2.79Å |
| 56 | E | 83.1 | Confident | 77.8 | Confident | 147 Ų | 147 | 75.7 Ų | 75.7 | 69% | 0.687 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -57.8 | -36.2 | 175.3 | -66.7 | -177.7 | 157.4 | 0 | 0 | 112.3 | S54 N59 Q60 | S54-E56 PolarHBondContact O-N 3.48Å; E56-N59 PolarHBondContact O-N 3.12Å; E56-Q60 WeakPolarHBondContact O-CB 3.48Å; E56-Q60 PolarHBondContact O-N 3.45Å |
| 57 | F | 86.6 | Confident | 79 | Confident | 32 Ų | 32 | 70.2 Ų | 70.2 | 14% | 0.14 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68 | -46.3 | 179.2 | -178.3 | -101.2 | 0 | 0 | 0 | 111.4 | A36 T45 L50 V53 S54 E55 N59 Q60 I61 | A36-F57 HydrophobicContact CB-CD1 3.77Å; A36-F57 HydrophobicContact CB-CE1 3.53Å; T45-F57 HydrophobicContact CG2-CD2 4.2Å; T45-F57 HydrophobicContact CG2-CE1 4.22Å; T45-F57 HydrophobicContact CG2-CE2 3.23Å; T45-F57 HydrophobicContact CG2-CZ 3.26Å; L50-F57 HydrophobicContact CB-CD2 4.3Å; L50-F57 HydrophobicContact CD1-CB 4.26Å; L50-F57 HydrophobicContact CD1-CD2 3.83Å; V53-F57 HydrophobicContact CG1-CD1 3.98Å; S54-F57 VanDerWaalsContact O-CB 3.27Å; S54-F57 WeakPolarHBondContact O-CB 3.41Å; S54-F57 PolarHBondContact O-N 3.2Å; E55-F57 PolarHBondContact O-N 2.97Å; F57-N59 VanDerWaalsContact C-N 3.33Å; F57-N59 PolarHBondContact O-N 3.22Å; F57-Q60 PolarHBondContact O-N 2.87Å; F57-I61 HydrophobicContact CD1-CD1 3.95Å; F57-I61 HydrophobicContact CE1-CD1 3.61Å; F57-I61 HydrophobicContact CZ-CD1 4.13Å; F57-I61 WeakPolarHBondContact O-CG1 3.44Å; F57-I61 PolarHBondContact O-N 2.72Å; F57-I61 VanDerWaalsContact O-N 3.11Å |
| 58 | R | 90.6 | Very high | 80.6 | Confident | 30 Ų | 30 | 68.7 Ų | 68.7 | 11% | 0.113 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 175.2 | -66.1 | -171.7 | -64.8 | -83.3 | 1.5 | 110.7 | E32 D34 V35 A36 V53 S54 E55 Q60 I61 V62 | E32-R58 IonicContact OE1-CZ 3.16Å; E32-R58 IonicContact OE1-NE 2.74Å; E32-R58 PolarHBondContact OE1-NE 3.28Å; E32-R58 IonicContact OE1-NH2 2.75Å; E32-R58 PolarHBondContact OE1-NH2 3.4Å; E32-R58 IonicContact OE2-NH2 3.75Å; D34-R58 WeakPolarHBondContact OD1-CD 3.39Å; V35-R58 HydrophobicContact CG2-CB 4.01Å; V35-R58 HydrophobicContact CG2-CG 4.39Å; A36-R58 HydrophobicContact CB-CG 4.25Å; V53-R58 HydrophobicContact CG1-CG 3.92Å; V53-R58 PolarHBondContact O-NH1 3.08Å; S54-R58 PolarHBondContact O-N 3.49Å; E55-R58 PolarHBondContact O-N 3.46Å; R58-Q60 VanDerWaalsContact C-N 3.31Å; R58-Q60 PolarHBondContact O-N 2.71Å; R58-I61 PolarHBondContact O-N 2.96Å; R58-V62 WeakPolarHBondContact O-CG2 3.29Å; R58-V62 PolarHBondContact O-N 3.35Å; R58-V62 VanDerWaalsContact O-N 3.12Å |
| 59 | N | 91.4 | Very high | 82.5 | Confident | 6 Ų | 6 | 66.1 Ų | 66.1 | 3% | 0.032 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.7 | -36 | 178.3 | -81 | -2 | 0 | 0 | 0 | 112.6 | E55 E56 F57 R63 T112 F114 H116 | E55-N59 WeakPolarHBondContact O-CB 3.44Å; E55-N59 PolarHBondContact O-N 3.45Å; E56-N59 PolarHBondContact O-N 3.12Å; F57-N59 VanDerWaalsContact C-N 3.33Å; F57-N59 PolarHBondContact O-N 3.22Å; N59-R63 VanDerWaalsContact O-CG 3.31Å; N59-R63 WeakPolarHBondContact O-CG 3.47Å; N59-R63 PolarHBondContact O-N 2.89Å; N59-T112 PolarHBondContact ND2-O 3.03Å; N59-F114 PolarHBondContact ND2-O 3.32Å; N59-H116 VanDerWaalsContact CB-CE1 3.5Å; N59-H116 WeakPolarHBondContact CB-CE1 3.28Å; N59-H116 WeakPolarHBondContact CB-ND1 3.47Å; N59-H116 PolarHBondContact O-ND1 2.99Å; N59-H116 WeakPolarHBondContact OD1-CB 3.45Å; N59-H116 PolarHBondContact OD1-N 3.3Å |
| 60 | Q | 90.6 | Very high | 84.3 | Confident | 56 Ų | 56 | 62.6 Ų | 62.6 | 26% | 0.262 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -67.4 | -43.5 | 175.1 | -175.6 | 60 | 33.6 | 0 | 0 | 112.4 | E56 F57 R58 V62 R63 E64 | E56-Q60 WeakPolarHBondContact O-CB 3.48Å; E56-Q60 PolarHBondContact O-N 3.45Å; F57-Q60 PolarHBondContact O-N 2.87Å; R58-Q60 VanDerWaalsContact C-N 3.31Å; R58-Q60 PolarHBondContact O-N 2.71Å; Q60-V62 VanDerWaalsContact C-N 3.31Å; Q60-V62 PolarHBondContact O-N 2.67Å; Q60-R63 PolarHBondContact O-N 2.8Å; Q60-E64 VanDerWaalsContact NE2-CG 3.35Å; Q60-E64 PolarHBondContact NE2-OE1 3.25Å; Q60-E64 PolarHBondContact O-N 2.75Å |
| 61 | I | 93.4 | Very high | 86.2 | Confident | 1 Ų | 1 | 64.6 Ų | 64.6 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.2 | -47.2 | 175.7 | -70.2 | 172.1 | 0 | 0 | 0 | 110.2 | V35 A36 L41 T45 F57 R58 R63 E64 L65 | V35-I61 HydrophobicContact CB-CG2 4.32Å; V35-I61 HydrophobicContact CG2-CB 4.04Å; V35-I61 HydrophobicContact CG2-CG2 3.91Å; A36-I61 HydrophobicContact CB-CD1 3.98Å; L41-I61 HydrophobicContact CB-CG2 3.93Å; L41-I61 HydrophobicContact CD2-CG2 3.39Å; L41-I61 HydrophobicContact CG-CG2 4.21Å; T45-I61 HydrophobicContact CG2-CD1 4.09Å; T45-I61 HydrophobicContact CG2-CG1 3.95Å; F57-I61 HydrophobicContact CD1-CD1 3.95Å; F57-I61 HydrophobicContact CE1-CD1 3.61Å; F57-I61 HydrophobicContact CZ-CD1 4.13Å; F57-I61 WeakPolarHBondContact O-CG1 3.44Å; F57-I61 PolarHBondContact O-N 2.72Å; F57-I61 VanDerWaalsContact O-N 3.11Å; R58-I61 PolarHBondContact O-N 2.96Å; I61-R63 PolarHBondContact O-N 2.94Å; I61-E64 PolarHBondContact O-N 3.11Å; I61-L65 VanDerWaalsContact O-CB 3.29Å; I61-L65 WeakPolarHBondContact O-CB 3.1Å; I61-L65 PolarHBondContact O-N 2.97Å |
| 62 | V | 94.3 | Very high | 88.2 | Confident | 19 Ų | 19 | 62.5 Ų | 62.5 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 178.4 | -179.9 | 0 | 0 | 0 | 0 | 111 | V35 R58 Q60 E64 L65 V66 H116 A117 | V35-V62 HydrophobicContact CG1-CG2 4.17Å; V35-V62 HydrophobicContact CG2-CG2 3.97Å; R58-V62 WeakPolarHBondContact O-CG2 3.29Å; R58-V62 PolarHBondContact O-N 3.35Å; R58-V62 VanDerWaalsContact O-N 3.12Å; Q60-V62 VanDerWaalsContact C-N 3.31Å; Q60-V62 PolarHBondContact O-N 2.67Å; V62-E64 PolarHBondContact O-N 3.49Å; V62-L65 PolarHBondContact O-N 3.01Å; V62-V66 HydrophobicContact CG1-CG1 4.21Å; V62-V66 WeakPolarHBondContact O-CG1 3.41Å; V62-V66 WeakPolarHBondContact O-CG2 3.48Å; V62-V66 PolarHBondContact O-N 3.24Å; V62-H116 HydrophobicContact CB-CB 3.89Å; V62-H116 HydrophobicContact CG1-CB 3.77Å; V62-H116 HydrophobicContact CG2-CB 4.17Å; V62-A117 HydrophobicContact CG2-CB 3.79Å |
| 63 | R | 92.9 | Very high | 90 | Very high | 105 Ų | 105 | 63.4 Ų | 63.4 | 40% | 0.396 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.4 | -50.5 | 178.6 | -78 | 174 | -179.3 | 161 | 7.1 | 111.9 | N59 Q60 I61 L65 V66 T67 H116 | N59-R63 VanDerWaalsContact O-CG 3.31Å; N59-R63 WeakPolarHBondContact O-CG 3.47Å; N59-R63 PolarHBondContact O-N 2.89Å; Q60-R63 PolarHBondContact O-N 2.8Å; I61-R63 PolarHBondContact O-N 2.94Å; R63-L65 VanDerWaalsContact C-N 3.34Å; R63-L65 PolarHBondContact O-N 3.49Å; R63-V66 WeakPolarHBondContact O-CG2 3.47Å; R63-V66 PolarHBondContact O-N 3.26Å; R63-T67 VanDerWaalsContact O-CG2 3.27Å; R63-T67 WeakPolarHBondContact O-CG2 3.44Å; R63-T67 PolarHBondContact O-N 3.12Å; R63-T67 PolarHBondContact O-OG1 3.25Å; R63-T67 VanDerWaalsContact O-OG1 3.12Å; R63-H116 PolarHBondContact NE-CE1 3.5Å; R63-H116 VanDerWaalsContact NE-CE1 3.25Å; R63-H116 PolarHBondContact NH2-CE1 3.11Å |
| 64 | E | 94.4 | Very high | 91.6 | Very high | 56 Ų | 56 | 68.5 Ų | 68.5 | 26% | 0.262 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | -179.9 | -66.5 | -72 | 166 | 0 | 0 | 111.1 | F44 R46 Q60 I61 V62 V66 T67 L68 | F44-E64 HydrophobicContact CB-CB 3.91Å; F44-E64 HydrophobicContact CD1-CB 3.82Å; F44-E64 HydrophobicContact CG-CB 4.21Å; R46-E64 IonicContact NH2-OE1 3.17Å; R46-E64 PolarHBondContact NH2-OE1 3.42Å; R46-E64 VanDerWaalsContact NH2-OE1 3.17Å; Q60-E64 VanDerWaalsContact NE2-CG 3.35Å; Q60-E64 PolarHBondContact NE2-OE1 3.25Å; Q60-E64 PolarHBondContact O-N 2.75Å; I61-E64 PolarHBondContact O-N 3.11Å; V62-E64 PolarHBondContact O-N 3.49Å; E64-V66 PolarHBondContact O-N 3.11Å; E64-T67 WeakPolarHBondContact CA-OG1 3.47Å; E64-T67 PolarHBondContact O-N 3.33Å; E64-T67 PolarHBondContact O-OG1 2.85Å; E64-L68 PolarHBondContact O-N 2.93Å |
| 65 | L | 94.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 68.8 Ų | 68.8 | 3% | 0.031 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.4 | -45.9 | 177.3 | 178.7 | 64.1 | 0 | 0 | 0 | 112.5 | L41 F44 I61 V62 R63 T67 L68 Q76 Y79 Y80 | L41-L65 HydrophobicContact CD2-CD1 4.45Å; L41-L65 HydrophobicContact CD2-CD2 4.04Å; F44-L65 HydrophobicContact CE2-CD1 4.23Å; F44-L65 HydrophobicContact CZ-CD1 4.14Å; I61-L65 VanDerWaalsContact O-CB 3.29Å; I61-L65 WeakPolarHBondContact O-CB 3.1Å; I61-L65 PolarHBondContact O-N 2.97Å; V62-L65 PolarHBondContact O-N 3.01Å; R63-L65 VanDerWaalsContact C-N 3.34Å; R63-L65 PolarHBondContact O-N 3.49Å; L65-T67 PolarHBondContact O-N 3.22Å; L65-L68 HydrophobicContact CD1-CD1 3.86Å; L65-L68 WeakPolarHBondContact O-CB 3.39Å; L65-L68 WeakPolarHBondContact O-CG 3.45Å; L65-L68 PolarHBondContact O-N 3.33Å; L65-Q76 HydrophobicContact CD1-CG 4.35Å; L65-Q76 PolarHBondContact O-NE2 2.82Å; L65-Y79 HydrophobicContact CD1-CD2 3.89Å; L65-Y79 HydrophobicContact CD1-CG 3.96Å; L65-Y80 HydrophobicContact CD2-CD1 3.71Å; L65-Y80 HydrophobicContact CD2-CE1 3.59Å; L65-Y80 HydrophobicContact CG-CD1 4.3Å; L65-Y80 HydrophobicContact CG-CE1 3.78Å |
| 66 | V | 93.8 | Very high | 93.1 | Very high | 80 Ų | 80 | 68.2 Ų | 68.2 | 49% | 0.485 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.7 | -23.2 | 179.9 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | V62 R63 E64 Q76 | V62-V66 HydrophobicContact CG1-CG1 4.21Å; V62-V66 WeakPolarHBondContact O-CG1 3.41Å; V62-V66 WeakPolarHBondContact O-CG2 3.48Å; V62-V66 PolarHBondContact O-N 3.24Å; R63-V66 WeakPolarHBondContact O-CG2 3.47Å; R63-V66 PolarHBondContact O-N 3.26Å; E64-V66 PolarHBondContact O-N 3.11Å; V66-Q76 PolarHBondContact O-NE2 2.87Å |
| 67 | T | 94.7 | Very high | 93.7 | Very high | 96 Ų | 96 | 66 Ų | 66 | 59% | 0.589 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 4.5 | 177 | 61.4 | 0 | 0 | 0 | 0 | 114.5 | R63 E64 L65 | R63-T67 VanDerWaalsContact O-CG2 3.27Å; R63-T67 WeakPolarHBondContact O-CG2 3.44Å; R63-T67 PolarHBondContact O-N 3.12Å; R63-T67 PolarHBondContact O-OG1 3.25Å; R63-T67 VanDerWaalsContact O-OG1 3.12Å; E64-T67 WeakPolarHBondContact CA-OG1 3.47Å; E64-T67 PolarHBondContact O-N 3.33Å; E64-T67 PolarHBondContact O-OG1 2.85Å; L65-T67 PolarHBondContact O-N 3.22Å |
| 68 | L | 94.4 | Very high | 94.2 | Very high | 19 Ų | 19 | 68.4 Ų | 68.4 | 10% | 0.099 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -53.3 | 137.7 | 175.3 | -83.8 | 178.4 | 0 | 0 | 0 | 111.2 | F44 E64 L65 Q76 | F44-L68 HydrophobicContact CE1-CD1 4.34Å; F44-L68 HydrophobicContact CE1-CD2 3.87Å; F44-L68 HydrophobicContact CE1-CG 4.15Å; F44-L68 HydrophobicContact CZ-CD1 4.07Å; F44-L68 HydrophobicContact CZ-CD2 4.32Å; F44-L68 HydrophobicContact CZ-CG 4.39Å; E64-L68 PolarHBondContact O-N 2.93Å; L65-L68 HydrophobicContact CD1-CD1 3.86Å; L65-L68 WeakPolarHBondContact O-CB 3.39Å; L65-L68 WeakPolarHBondContact O-CG 3.45Å; L65-L68 PolarHBondContact O-N 3.33Å; L68-Q76 HydrophobicContact CD1-CB 3.91Å; L68-Q76 HydrophobicContact CD1-CG 4.21Å |
| 69 | P | 94.9 | Very high | 94.4 | Very high | 73 Ų | 73 | 67.8 Ų | 67.8 | 47% | 0.474 | 34% | 0.34 | S | S | . | . | trans | -54.6 | 141 | 176.2 | -29.4 | 36.4 | 0 | 0 | 0 | 112.7 | N71 R72 | P69-N71 WeakPolarHBondContact CB-OD1 3.43Å; P69-N71 PolarHBondContact O-N 2.72Å; P69-R72 WeakPolarHBondContact O-CA 3.13Å; P69-R72 WeakPolarHBondContact O-CB 3.38Å; P69-R72 PolarHBondContact O-N 2.64Å | ||
| 70 | A | 93.9 | Very high | 94.6 | Very high | 88 Ų | 88 | 71.8 Ų | 71.8 | 73% | 0.727 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -58.4 | -26.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | R72 W73 | A70-R72 PolarHBondContact O-N 2.83Å; A70-W73 PolarHBondContact O-N 2.74Å |
| 71 | N | 95.3 | Very high | 94.9 | Very high | 133 Ų | 133 | 71.8 Ų | 71.8 | 71% | 0.711 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -68.4 | -13.4 | 174.4 | 66.5 | -17.7 | 0 | 0 | 0 | 113.5 | P69 | P69-N71 WeakPolarHBondContact CB-OD1 3.43Å; P69-N71 PolarHBondContact O-N 2.72Å |
| 72 | R | 95.1 | Very high | 95 | Very high | 97 Ų | 97 | 75.6 Ų | 75.6 | 37% | 0.366 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -100.5 | 20.5 | 175.8 | -61.3 | 177.1 | 72.3 | 176.1 | 4.7 | 113 | P69 A70 R74 E75 Q76 | P69-R72 WeakPolarHBondContact O-CA 3.13Å; P69-R72 WeakPolarHBondContact O-CB 3.38Å; P69-R72 PolarHBondContact O-N 2.64Å; A70-R72 PolarHBondContact O-N 2.83Å; R72-R74 PolarHBondContact O-N 2.7Å; R72-R74 VanDerWaalsContact O-N 3.11Å; R72-E75 IonicContact CZ-OE1 2.64Å; R72-E75 IonicContact CZ-OE2 3.87Å; R72-E75 IonicContact NE-OE2 2.76Å; R72-E75 PolarHBondContact NE-OE2 3.1Å; R72-E75 IonicContact NH2-OE1 3.1Å; R72-E75 PolarHBondContact NH2-OE1 3.06Å; R72-E75 IonicContact NH2-OE2 2.75Å; R72-E75 PolarHBondContact NH2-OE2 3.07Å; R72-E75 WeakPolarHBondContact O-CB 3.21Å; R72-E75 PolarHBondContact O-N 2.74Å; R72-Q76 PolarHBondContact O-N 2.59Å |
| 73 | W | 94.8 | Very high | 95.1 | Very high | 127 Ų | 127 | 75.4 Ų | 75.4 | 48% | 0.481 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -52.8 | -35.2 | -178.5 | 69.9 | -95 | 0 | 0 | 0 | 114.3 | A70 Q76 L77 | A70-W73 PolarHBondContact O-N 2.74Å; W73-Q76 PolarHBondContact O-N 3.46Å; W73-L77 HydrophobicContact CZ3-CD2 4.32Å; W73-L77 VanDerWaalsContact O-CB 3.32Å; W73-L77 WeakPolarHBondContact O-CB 3.48Å; W73-L77 PolarHBondContact O-N 2.97Å |
| 74 | R | 96.8 | Very high | 95.2 | Very high | 175 Ų | 175 | 73.2 Ų | 73.2 | 66% | 0.66 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.1 | -43.2 | 178.3 | -69.8 | -171.8 | -176.9 | 92.4 | -1.2 | 111.9 | R72 L77 D78 | R72-R74 PolarHBondContact O-N 2.7Å; R72-R74 VanDerWaalsContact O-N 3.11Å; R74-L77 PolarHBondContact O-N 2.86Å; R74-D78 PolarHBondContact O-N 3.36Å |
| 75 | E | 95.1 | Very high | 95.2 | Very high | 51 Ų | 51 | 77.9 Ų | 77.9 | 24% | 0.238 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 177.3 | 177.7 | -178.3 | -179.1 | 0 | 0 | 110.7 | K43 R72 L77 D78 Y79 | K43-E75 IonicContact NZ-OE1 2.72Å; K43-E75 PolarHBondContact NZ-OE1 3.02Å; R72-E75 IonicContact CZ-OE1 2.64Å; R72-E75 IonicContact CZ-OE2 3.87Å; R72-E75 IonicContact NE-OE2 2.76Å; R72-E75 PolarHBondContact NE-OE2 3.1Å; R72-E75 IonicContact NH2-OE1 3.1Å; R72-E75 PolarHBondContact NH2-OE1 3.06Å; R72-E75 IonicContact NH2-OE2 2.75Å; R72-E75 PolarHBondContact NH2-OE2 3.07Å; R72-E75 WeakPolarHBondContact O-CB 3.21Å; R72-E75 PolarHBondContact O-N 2.74Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 2.93Å; E75-D78 PolarHBondContact O-N 3.25Å; E75-Y79 HydrophobicContact CG-CD2 3.83Å; E75-Y79 HydrophobicContact CG-CE2 3.49Å; E75-Y79 VanDerWaalsContact CG-CE2 3.49Å; E75-Y79 WeakPolarHBondContact O-CD2 3.2Å; E75-Y79 PolarHBondContact O-N 2.86Å |
| 76 | Q | 95.1 | Very high | 95.2 | Very high | 36 Ų | 36 | 77.8 Ų | 77.8 | 17% | 0.168 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.8 | -43.2 | 175.2 | -169.3 | -179.3 | 53.3 | 0 | 0 | 111.5 | L65 V66 L68 R72 W73 Y79 Y80 | L65-Q76 HydrophobicContact CD1-CG 4.35Å; L65-Q76 PolarHBondContact O-NE2 2.82Å; V66-Q76 PolarHBondContact O-NE2 2.87Å; L68-Q76 HydrophobicContact CD1-CB 3.91Å; L68-Q76 HydrophobicContact CD1-CG 4.21Å; R72-Q76 PolarHBondContact O-N 2.59Å; W73-Q76 PolarHBondContact O-N 3.46Å; Q76-Y79 PolarHBondContact O-N 2.84Å; Q76-Y80 HydrophobicContact CG-CD2 4.33Å; Q76-Y80 HydrophobicContact CG-CE1 4.15Å; Q76-Y80 HydrophobicContact CG-CE2 3.65Å; Q76-Y80 PolarHBondContact NE2-OH 2.79Å; Q76-Y80 PolarHBondContact O-N 2.98Å |
| 77 | L | 95.3 | Very high | 95.3 | Very high | 101 Ų | 101 | 77.5 Ų | 77.5 | 53% | 0.529 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 176.5 | -176.8 | 63.2 | 0 | 0 | 0 | 112.5 | W73 R74 E75 Y79 Y80 A81 | W73-L77 HydrophobicContact CZ3-CD2 4.32Å; W73-L77 VanDerWaalsContact O-CB 3.32Å; W73-L77 WeakPolarHBondContact O-CB 3.48Å; W73-L77 PolarHBondContact O-N 2.97Å; R74-L77 PolarHBondContact O-N 2.86Å; E75-L77 VanDerWaalsContact C-N 3.32Å; E75-L77 PolarHBondContact O-N 2.93Å; L77-Y79 VanDerWaalsContact C-N 3.32Å; L77-Y79 PolarHBondContact O-N 3.1Å; L77-Y80 PolarHBondContact O-N 2.89Å; L77-A81 PolarHBondContact O-N 3.3Å |
| 78 | D | 96.6 | Very high | 95.4 | Very high | 81 Ų | 81 | 74.6 Ų | 74.6 | 43% | 0.433 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.5 | -46.9 | 173.7 | 178.5 | 73.8 | 0 | 0 | 0 | 111 | R74 E75 Y80 A81 R82 | R74-D78 PolarHBondContact O-N 3.36Å; E75-D78 PolarHBondContact O-N 3.25Å; D78-Y80 PolarHBondContact O-N 2.99Å; D78-A81 PolarHBondContact O-N 3.14Å; D78-R82 WeakPolarHBondContact O-CD 3.49Å; D78-R82 VanDerWaalsContact O-CG 3.23Å; D78-R82 WeakPolarHBondContact O-CG 3.26Å; D78-R82 PolarHBondContact O-N 3.4Å; D78-R82 VanDerWaalsContact OD2-CD 3.23Å; D78-R82 WeakPolarHBondContact OD2-CD 3.48Å; D78-R82 IonicContact OD2-NH1 3.71Å; D78-R82 PolarHBondContact OD2-NH1 3.48Å |
| 79 | Y | 95.9 | Very high | 95.3 | Very high | 17 Ų | 17 | 76.4 Ų | 76.4 | 7% | 0.067 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63 | -41.9 | 176 | -76.7 | -56.1 | 0 | 0 | 0 | 112.8 | G40 L41 K43 F44 L65 E75 Q76 L77 A81 R82 C83 | G40-Y79 PolarHBondContact O-OH 2.89Å; G40-Y79 VanDerWaalsContact O-OH 3.11Å; L41-Y79 HydrophobicContact CD1-CD1 3.73Å; L41-Y79 HydrophobicContact CD1-CE1 4.27Å; L41-Y79 HydrophobicContact CD2-CD1 4.22Å; L41-Y79 HydrophobicContact CD2-CG 4.47Å; L41-Y79 HydrophobicContact CG-CD1 3.73Å; L41-Y79 HydrophobicContact CG-CE1 3.97Å; L41-Y79 HydrophobicContact CG-CG 4.45Å; K43-Y79 WeakPolarHBondContact CE-OH 3.27Å; K43-Y79 PolarHBondContact NZ-OH 3.46Å; F44-Y79 HydrophobicContact CE2-CD2 4.13Å; F44-Y79 AromaticContact CE2-CE2 3.92Å; F44-Y79 HydrophobicContact CE2-CE2 3.92Å; F44-Y79 HydrophobicContact CZ-CD2 4.2Å; F44-Y79 AromaticContact CZ-CE2 3.97Å; F44-Y79 HydrophobicContact CZ-CE2 3.97Å; L65-Y79 HydrophobicContact CD1-CD2 3.89Å; L65-Y79 HydrophobicContact CD1-CG 3.96Å; E75-Y79 HydrophobicContact CG-CD2 3.83Å; E75-Y79 HydrophobicContact CG-CE2 3.49Å; E75-Y79 VanDerWaalsContact CG-CE2 3.49Å; E75-Y79 WeakPolarHBondContact O-CD2 3.2Å; E75-Y79 PolarHBondContact O-N 2.86Å; Q76-Y79 PolarHBondContact O-N 2.84Å; L77-Y79 VanDerWaalsContact C-N 3.32Å; L77-Y79 PolarHBondContact O-N 3.1Å; Y79-A81 PolarHBondContact O-N 3.21Å; Y79-R82 PolarHBondContact O-N 3.37Å; Y79-C83 WeakPolarHBondContact O-CB 3.4Å; Y79-C83 PolarHBondContact O-N 3.26Å; Y79-C83 PolarHBondContact O-SG 2.72Å |
| 80 | Y | 95.5 | Very high | 95.3 | Very high | 91 Ų | 91 | 74.4 Ų | 74.4 | 36% | 0.357 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 174.9 | -67.2 | -24.9 | 0 | 0 | 0 | 112.6 | L65 Q76 L77 D78 R82 C83 S84 | L65-Y80 HydrophobicContact CD2-CD1 3.71Å; L65-Y80 HydrophobicContact CD2-CE1 3.59Å; L65-Y80 HydrophobicContact CG-CD1 4.3Å; L65-Y80 HydrophobicContact CG-CE1 3.78Å; Q76-Y80 HydrophobicContact CG-CD2 4.33Å; Q76-Y80 HydrophobicContact CG-CE1 4.15Å; Q76-Y80 HydrophobicContact CG-CE2 3.65Å; Q76-Y80 PolarHBondContact NE2-OH 2.79Å; Q76-Y80 PolarHBondContact O-N 2.98Å; L77-Y80 PolarHBondContact O-N 2.89Å; D78-Y80 PolarHBondContact O-N 2.99Å; Y80-R82 VanDerWaalsContact C-N 3.28Å; Y80-R82 PolarHBondContact O-N 3.24Å; Y80-C83 PolarHBondContact O-N 2.95Å; Y80-S84 PolarHBondContact O-N 3.29Å |
| 81 | A | 96 | Very high | 95.4 | Very high | 55 Ų | 55 | 77.3 Ų | 77.3 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | L77 D78 Y79 S84 | L77-A81 PolarHBondContact O-N 3.3Å; D78-A81 PolarHBondContact O-N 3.14Å; Y79-A81 PolarHBondContact O-N 3.21Å; A81-S84 WeakPolarHBondContact O-CB 3.25Å; A81-S84 PolarHBondContact O-N 3.28Å; A81-S84 PolarHBondContact O-OG 3.33Å |
| 82 | R | 96.3 | Very high | 95.5 | Very high | 81 Ų | 81 | 71.5 Ų | 71.5 | 31% | 0.306 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -72.2 | -39.3 | 179.7 | -65.1 | 167.1 | 65.7 | -160.7 | -1.2 | 112.5 | V38 P39 D78 Y79 Y80 S84 Q85 A86 | V38-R82 HydrophobicContact CG1-CB 3.74Å; P39-R82 VanDerWaalsContact O-CZ 3.3Å; P39-R82 PolarHBondContact O-NH1 2.9Å; P39-R82 PolarHBondContact O-NH2 3.37Å; D78-R82 WeakPolarHBondContact O-CD 3.49Å; D78-R82 VanDerWaalsContact O-CG 3.23Å; D78-R82 WeakPolarHBondContact O-CG 3.26Å; D78-R82 PolarHBondContact O-N 3.4Å; D78-R82 VanDerWaalsContact OD2-CD 3.23Å; D78-R82 WeakPolarHBondContact OD2-CD 3.48Å; D78-R82 IonicContact OD2-NH1 3.71Å; D78-R82 PolarHBondContact OD2-NH1 3.48Å; Y79-R82 PolarHBondContact O-N 3.37Å; Y80-R82 VanDerWaalsContact C-N 3.28Å; Y80-R82 PolarHBondContact O-N 3.24Å; R82-S84 VanDerWaalsContact C-N 3.26Å; R82-S84 PolarHBondContact O-N 3.11Å; R82-Q85 PolarHBondContact O-N 2.6Å; R82-Q85 VanDerWaalsContact O-N 3.11Å; R82-A86 PolarHBondContact O-N 3.44Å |
| 83 | C | 95.9 | Very high | 95.6 | Very high | 15 Ų | 15 | 70.7 Ų | 70.7 | 10% | 0.101 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.5 | -35.3 | 171.7 | -70.5 | 0 | 0 | 0 | 0 | 112 | V33 V35 Y79 Y80 Q85 A86 | V33-C83 WeakPolarHBondContact CG1-O 3.18Å; V35-C83 HydrophobicContact CG1-CB 4.29Å; Y79-C83 WeakPolarHBondContact O-CB 3.4Å; Y79-C83 PolarHBondContact O-N 3.26Å; Y79-C83 PolarHBondContact O-SG 2.72Å; Y80-C83 PolarHBondContact O-N 2.95Å; C83-Q85 PolarHBondContact O-N 3.47Å; C83-Q85 VanDerWaalsContact O-N 3.15Å; C83-A86 VanDerWaalsContact O-CB 3.24Å; C83-A86 WeakPolarHBondContact O-CB 3.32Å; C83-A86 PolarHBondContact O-N 3.48Å |
| 84 | S | 94.4 | Very high | 95.7 | Very high | 59 Ų | 59 | 67.4 Ų | 67.4 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60 | -26.6 | 176.2 | 82.4 | 0 | 0 | 0 | 0 | 113.4 | Y80 A81 R82 R119 | Y80-S84 PolarHBondContact O-N 3.29Å; A81-S84 WeakPolarHBondContact O-CB 3.25Å; A81-S84 PolarHBondContact O-N 3.28Å; A81-S84 PolarHBondContact O-OG 3.33Å; R82-S84 VanDerWaalsContact C-N 3.26Å; R82-S84 PolarHBondContact O-N 3.11Å; S84-R119 PolarHBondContact O-NH1 2.94Å |
| 85 | Q | 94.9 | Very high | 95.5 | Very high | 154 Ų | 154 | 63.1 Ų | 63.1 | 72% | 0.72 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -1.1 | 179.9 | -57.1 | -54.6 | -49.6 | 0 | 0 | 113.2 | R82 C83 | R82-Q85 PolarHBondContact O-N 2.6Å; R82-Q85 VanDerWaalsContact O-N 3.11Å; C83-Q85 PolarHBondContact O-N 3.47Å; C83-Q85 VanDerWaalsContact O-N 3.15Å |
| 86 | A | 95.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 64 Ų | 64 | 3% | 0.033 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -66.4 | 154.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V33 V38 R82 C83 R119 | V33-A86 HydrophobicContact CG1-CB 3.62Å; V38-A86 HydrophobicContact CG2-CB 3.45Å; V38-A86 VanDerWaalsContact CG2-CB 3.45Å; R82-A86 PolarHBondContact O-N 3.44Å; C83-A86 VanDerWaalsContact O-CB 3.24Å; C83-A86 WeakPolarHBondContact O-CB 3.32Å; C83-A86 PolarHBondContact O-N 3.48Å; A86-R119 PolarHBondContact O-NH1 2.87Å; A86-R119 PolarHBondContact O-NH2 3.01Å |
| 87 | P | 96.1 | Very high | 94.8 | Very high | 74 Ų | 74 | 65.8 Ų | 65.8 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -64 | 149.4 | 177.4 | 25.1 | -30.5 | 0 | 0 | 0 | 110.9 | D34 A37 | D34-P87 HydrophobicContact CB-CG 4.21Å; D34-P87 WeakPolarHBondContact CB-O 3.38Å; D34-P87 PolarHBondContact N-O 3.42Å; A37-P87 HydrophobicContact CB-CG 3.82Å |
| 88 | G | 95.2 | Very high | 94.1 | Very high | 35 Ų | 35 | 65.3 Ų | 65.3 | 36% | 0.361 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 139.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110 | E32 | E32-G88 CarbonylContact O-C 3.59Å; E32-G88 VanDerWaalsContact O-CA 3.28Å; E32-G88 WeakPolarHBondContact O-CA 3.34Å |
| 89 | C | 93.9 | Very high | 93.6 | Very high | 58 Ų | 58 | 68.6 Ų | 68.6 | 39% | 0.392 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 3.3 | 177.9 | 58.5 | 0 | 0 | 0 | 0 | 114.4 | E32 D34 | E32-C89 PolarHBondContact O-N 3.35Å; D34-C89 HydrophobicContact CB-CB 3.94Å |
| 90 | G | 93.7 | Very high | 93.4 | Very high | 31 Ų | 31 | 68.2 Ų | 68.2 | 32% | 0.32 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.3 | 134.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E31 E32 | E31-G90 CarbonylContact C-O 3.6Å; E31-G90 WeakPolarHBondContact CA-O 3.16Å; E31-G90 WeakPolarHBondContact CB-O 3.32Å; E32-G90 PolarHBondContact N-O 3.02Å |
| 91 | E | 96.2 | Very high | 93.3 | Very high | 148 Ų | 148 | 64 Ų | 64 | 69% | 0.692 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 141.6 | 172.3 | -61.5 | -167 | 168.5 | 0 | 0 | 110.3 | K29 | K29-E91 WeakPolarHBondContact CE-OE1 3.44Å; K29-E91 IonicContact NZ-OE1 3.11Å; K29-E91 PolarHBondContact NZ-OE1 3.3Å; K29-E91 VanDerWaalsContact NZ-OE1 3.11Å |
| 92 | L | 97.1 | Very high | 93.3 | Very high | 11 Ų | 11 | 64.2 Ų | 64.2 | 6% | 0.058 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 142.8 | 178.5 | -60.1 | -178.2 | 0 | 0 | 0 | 109.8 | V30 I103 K105 F114 P115 I118 | V30-L92 HydrophobicContact CB-CB 4.18Å; V30-L92 HydrophobicContact CG1-CB 3.95Å; V30-L92 HydrophobicContact CG1-CD1 4.02Å; V30-L92 HydrophobicContact CG1-CG 4.43Å; V30-L92 PolarHBondContact O-N 3.39Å; L92-I103 HydrophobicContact CB-CG2 3.83Å; L92-I103 HydrophobicContact CD1-CG2 3.98Å; L92-K105 HydrophobicContact CD2-CB 3.87Å; L92-K105 HydrophobicContact CD2-CD 4.05Å; L92-K105 HydrophobicContact CD2-CG 3.95Å; L92-F114 HydrophobicContact CD1-CZ 4.19Å; L92-P115 HydrophobicContact CD1-CG 4.49Å; L92-P115 HydrophobicContact CD2-CG 4.43Å; L92-I118 HydrophobicContact CD1-CB 4.36Å; L92-I118 HydrophobicContact CD1-CG2 3.53Å |
| 93 | L | 96.9 | Very high | 93.3 | Very high | 80 Ų | 80 | 60.3 Ų | 60.3 | 42% | 0.419 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 135.1 | 174.4 | -62.8 | 173.6 | 0 | 0 | 0 | 108.1 | I103 R104 | L93-I103 CarbonylContact O-C 3.5Å; L93-I103 WeakPolarHBondContact O-CA 3.48Å; L93-R104 HydrophobicContact CB-CG 3.6Å; L93-R104 HydrophobicContact CD1-CG 4.23Å; L93-R104 PolarHBondContact N-O 2.79Å; L93-R104 VanDerWaalsContact N-O 3.1Å; L93-R104 PolarHBondContact O-N 2.99Å |
| 94 | F | 96.6 | Very high | 93.3 | Very high | 58 Ų | 58 | 64.3 Ų | 64.3 | 25% | 0.254 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 151 | 177.9 | 72.4 | -87.1 | 0 | 0 | 0 | 111.8 | V27 V30 T96 L101 Q102 I103 | V27-F94 HydrophobicContact CB-CD2 3.98Å; V27-F94 HydrophobicContact CB-CE2 3.61Å; V27-F94 HydrophobicContact CB-CZ 4.32Å; V27-F94 HydrophobicContact CG1-CD2 3.66Å; V27-F94 HydrophobicContact CG1-CE1 4.37Å; V27-F94 HydrophobicContact CG1-CE2 3.46Å; V27-F94 VanDerWaalsContact CG1-CE2 3.46Å; V27-F94 HydrophobicContact CG1-CG 4.22Å; V27-F94 HydrophobicContact CG1-CZ 3.84Å; V27-F94 WeakPolarHBondContact O-CE2 3.48Å; V30-F94 HydrophobicContact CB-CB 4.41Å; V30-F94 HydrophobicContact CB-CD1 4.02Å; V30-F94 HydrophobicContact CB-CG 4.43Å; V30-F94 HydrophobicContact CG2-CB 3.77Å; V30-F94 HydrophobicContact CG2-CD1 3.62Å; V30-F94 HydrophobicContact CG2-CD2 4.4Å; V30-F94 HydrophobicContact CG2-CE1 4.34Å; V30-F94 HydrophobicContact CG2-CG 3.66Å; F94-T96 HydrophobicContact CD2-CG2 4.31Å; F94-T96 HydrophobicContact CE2-CG2 4.49Å; F94-L101 HydrophobicContact CB-CD1 3.9Å; F94-L101 HydrophobicContact CD2-CD1 3.95Å; F94-L101 HydrophobicContact CG-CD1 4.29Å; F94-Q102 CarbonylContact C-O 3.51Å; F94-Q102 WeakPolarHBondContact CA-O 3.33Å; F94-Q102 WeakPolarHBondContact CB-O 3.24Å; F94-I103 HydrophobicContact CB-CG1 4.3Å |
| 95 | D | 94.5 | Very high | 93.3 | Very high | 85 Ų | 85 | 63.3 Ų | 63.3 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 136.5 | 172.8 | -69.6 | -72.1 | 0 | 0 | 0 | 107.7 | Q102 R104 | D95-Q102 HydrophobicContact CB-CB 4.46Å; D95-Q102 PolarHBondContact N-O 3.03Å; D95-Q102 PolarHBondContact O-N 3.05Å; D95-R104 IonicContact OD2-NH2 2.74Å |
| 96 | T | 90.8 | Very high | 93.2 | Very high | 70 Ų | 70 | 61.3 Ų | 61.3 | 43% | 0.429 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.8 | 176.1 | 49.7 | 0 | 0 | 0 | 0 | 109.7 | V27 F94 L101 | V27-T96 HydrophobicContact CB-CG2 3.63Å; V27-T96 HydrophobicContact CG2-CG2 3.48Å; V27-T96 VanDerWaalsContact CG2-CG2 3.48Å; F94-T96 HydrophobicContact CD2-CG2 4.31Å; F94-T96 HydrophobicContact CE2-CG2 4.49Å; T96-L101 HydrophobicContact CG2-CD1 3.82Å |
| 97 | D | 83.8 | Confident | 92.9 | Very high | 74 Ų | 74 | 63.7 Ų | 63.7 | 40% | 0.396 | 36% | 0.358 | S | S | . | . | trans | -108.5 | -168.1 | 167.4 | 72.2 | 50.4 | 0 | 0 | 0 | 111.1 | W99 S100 Q102 | D97-W99 VanDerWaalsContact C-N 3.27Å; D97-W99 PolarHBondContact O-N 3.28Å; D97-W99 WeakPolarHBondContact OD1-CA 3.4Å; D97-W99 PolarHBondContact OD1-N 2.88Å; D97-S100 VanDerWaalsContact CG-OG 3.25Å; D97-S100 PolarHBondContact N-O 3.11Å; D97-S100 PolarHBondContact OD1-N 2.69Å; D97-S100 PolarHBondContact OD1-OG 2.9Å; D97-S100 PolarHBondContact OD2-OG 2.85Å; D97-Q102 PolarHBondContact OD2-NE2 2.76Å | ||
| 98 | T | 80.8 | Confident | 92.8 | Very high | 90 Ų | 90 | 60.3 Ų | 60.3 | 55% | 0.552 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -69.1 | -26.8 | -177 | -54 | 0 | 0 | 0 | 0 | 112.8 | C23 | C23-T98 WeakPolarHBondContact CA-O 3.26Š|
| 99 | W | 85.9 | Confident | 92.6 | Very high | 150 Ų | 150 | 61.8 Ų | 61.8 | 57% | 0.568 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -131.2 | -4.7 | -168.3 | -55.7 | 107.9 | 0 | 0 | 0 | 113.8 | C22 C23 D97 | C22-W99 CarbonylContact C-O 3.57Å; C22-W99 PolarHBondContact N-O 2.75Å; C22-W99 CarbonylContact O-C 2.82Å; C22-W99 WeakPolarHBondContact O-CA 3.28Å; C23-W99 HydrophobicContact CB-CE3 3.93Å; C23-W99 HydrophobicContact CB-CZ3 4.01Å; C23-W99 VanDerWaalsContact SG-CZ3 3.52Å; D97-W99 VanDerWaalsContact C-N 3.27Å; D97-W99 PolarHBondContact O-N 3.28Å; D97-W99 WeakPolarHBondContact OD1-CA 3.4Å; D97-W99 PolarHBondContact OD1-N 2.88Å |
| 100 | S | 91.1 | Very high | 92.4 | Very high | 10 Ų | 10 | 62 Ų | 62 | 7% | 0.07 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 154.4 | -179.8 | 91.3 | 0 | 0 | 0 | 0 | 114.1 | L20 C22 D97 | L20-S100 CarbonylContact O-C 3.47Å; L20-S100 WeakPolarHBondContact O-CA 3.34Å; L20-S100 WeakPolarHBondContact O-CB 3.41Å; C22-S100 PolarHBondContact O-N 3.45Å; D97-S100 VanDerWaalsContact CG-OG 3.25Å; D97-S100 PolarHBondContact N-O 3.11Å; D97-S100 PolarHBondContact OD1-N 2.69Å; D97-S100 PolarHBondContact OD1-OG 2.9Å; D97-S100 PolarHBondContact OD2-OG 2.85Å |
| 101 | L | 93.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 63.1 Ų | 63.1 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 121.2 | 163.6 | 167.2 | 60.6 | 0 | 0 | 0 | 107.6 | L20 C22 V27 F94 T96 I103 I120 | L20-L101 HydrophobicContact CB-CB 4.43Å; L20-L101 HydrophobicContact CD1-CD2 4.34Å; L20-L101 PolarHBondContact N-O 2.97Å; L20-L101 PolarHBondContact O-N 2.75Å; C22-L101 WeakPolarHBondContact SG-CB 3.25Å; C22-L101 PolarHBondContact SG-N 3Å; C22-L101 VanDerWaalsContact SG-N 3.36Å; V27-L101 HydrophobicContact CB-CD1 4.4Å; V27-L101 HydrophobicContact CG1-CD1 4.31Å; V27-L101 HydrophobicContact CG2-CD1 4Å; V27-L101 HydrophobicContact CG2-CD2 3.95Å; V27-L101 HydrophobicContact CG2-CG 4.46Å; F94-L101 HydrophobicContact CB-CD1 3.9Å; F94-L101 HydrophobicContact CD2-CD1 3.95Å; F94-L101 HydrophobicContact CG-CD1 4.29Å; T96-L101 HydrophobicContact CG2-CD1 3.82Å; L101-I103 HydrophobicContact CD1-CG1 4.04Å; L101-I103 HydrophobicContact CD2-CD1 3.9Å; L101-I103 HydrophobicContact CD2-CG1 4.23Å; L101-I103 HydrophobicContact CG-CD1 3.96Å; L101-I103 HydrophobicContact CG-CG1 3.79Å; L101-I120 HydrophobicContact CD2-CD1 3.77Å; L101-I120 HydrophobicContact CD2-CG1 4.28Å; L101-I120 HydrophobicContact CD2-CG2 3.92Å |
| 102 | Q | 95.1 | Very high | 91.9 | Very high | 59 Ų | 59 | 60 Ų | 60 | 28% | 0.276 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 128.2 | 179.2 | -57.2 | -178.4 | 29.7 | 0 | 0 | 108.4 | L17 L18 V19 F94 D95 D97 | L17-Q102 HydrophobicContact CD1-CB 4.08Å; L17-Q102 HydrophobicContact CD2-CB 4.39Å; L17-Q102 HydrophobicContact CG-CB 4.4Å; L18-Q102 CarbonylContact O-C 3.57Å; L18-Q102 WeakPolarHBondContact O-CA 3.39Å; V19-Q102 HydrophobicContact CG1-CG 4.47Å; V19-Q102 HydrophobicContact CG2-CG 4.36Å; F94-Q102 CarbonylContact C-O 3.51Å; F94-Q102 WeakPolarHBondContact CA-O 3.33Å; F94-Q102 WeakPolarHBondContact CB-O 3.24Å; D95-Q102 HydrophobicContact CB-CB 4.46Å; D95-Q102 PolarHBondContact N-O 3.03Å; D95-Q102 PolarHBondContact O-N 3.05Å; D97-Q102 PolarHBondContact OD2-NE2 2.76Å |
| 103 | I | 96.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 132.5 | -174.7 | -49.8 | 167 | 0 | 0 | 0 | 108.8 | L18 L20 V30 L92 L93 F94 L101 F114 I118 I120 | L18-I103 HydrophobicContact CB-CB 4.36Å; L18-I103 HydrophobicContact CD2-CD1 4.25Å; L18-I103 PolarHBondContact N-O 3.01Å; L18-I103 PolarHBondContact O-N 2.8Å; L20-I103 HydrophobicContact CD1-CD1 4.1Å; V30-I103 HydrophobicContact CG1-CD1 4.02Å; V30-I103 HydrophobicContact CG1-CG1 4.43Å; V30-I103 HydrophobicContact CG1-CG2 3.85Å; V30-I103 HydrophobicContact CG2-CD1 4.47Å; V30-I103 HydrophobicContact CG2-CG1 4.5Å; L92-I103 HydrophobicContact CB-CG2 3.83Å; L92-I103 HydrophobicContact CD1-CG2 3.98Å; L93-I103 CarbonylContact O-C 3.5Å; L93-I103 WeakPolarHBondContact O-CA 3.48Å; F94-I103 HydrophobicContact CB-CG1 4.3Å; L101-I103 HydrophobicContact CD1-CG1 4.04Å; L101-I103 HydrophobicContact CD2-CD1 3.9Å; L101-I103 HydrophobicContact CD2-CG1 4.23Å; L101-I103 HydrophobicContact CG-CD1 3.96Å; L101-I103 HydrophobicContact CG-CG1 3.79Å; I103-F114 HydrophobicContact CB-CZ 4.22Å; I103-F114 HydrophobicContact CG2-CE2 4.49Å; I103-F114 HydrophobicContact CG2-CZ 3.79Å; I103-I118 HydrophobicContact CD1-CD1 3.62Å; I103-I120 HydrophobicContact CD1-CD1 4.18Å |
| 104 | R | 96.1 | Very high | 91.4 | Very high | 99 Ų | 99 | 59.4 Ų | 59.4 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 151.4 | 178.6 | 62.2 | -167.5 | 165.5 | 123.2 | -5.4 | 111.9 | L17 L93 D95 | L17-R104 HydrophobicContact CD1-CB 4.02Å; L93-R104 HydrophobicContact CB-CG 3.6Å; L93-R104 HydrophobicContact CD1-CG 4.23Å; L93-R104 PolarHBondContact N-O 2.79Å; L93-R104 VanDerWaalsContact N-O 3.1Å; L93-R104 PolarHBondContact O-N 2.99Å; D95-R104 IonicContact OD2-NH2 2.74Å |
| 105 | K | 94.4 | Very high | 91.3 | Very high | 37 Ų | 37 | 56.9 Ų | 56.9 | 16% | 0.161 | 32% | 0.318 | C | S | . | . | trans | -123.7 | 125.8 | 174.1 | -177.8 | 174.4 | 177.9 | 175.9 | 0 | 108.8 | E32 E55 L92 G107 A108 F114 P115 | E32-K105 IonicContact OE2-NZ 2.8Å; E32-K105 PolarHBondContact OE2-NZ 3.01Å; E55-K105 IonicContact OE1-NZ 2.71Å; E55-K105 PolarHBondContact OE1-NZ 2.89Å; E55-K105 IonicContact OE2-NZ 2.67Å; E55-K105 PolarHBondContact OE2-NZ 2.79Å; L92-K105 HydrophobicContact CD2-CB 3.87Å; L92-K105 HydrophobicContact CD2-CD 4.05Å; L92-K105 HydrophobicContact CD2-CG 3.95Å; K105-G107 PolarHBondContact O-N 3.05Å; K105-A108 HydrophobicContact CB-CB 3.86Å; K105-A108 HydrophobicContact CD-CB 4.4Å; K105-A108 HydrophobicContact CG-CB 4.26Å; K105-A108 WeakPolarHBondContact O-CB 3.37Å; K105-A108 PolarHBondContact O-N 3.34Å; K105-F114 HydrophobicContact CB-CD2 4.2Å; K105-F114 HydrophobicContact CB-CE2 4.11Å; K105-P115 HydrophobicContact CD-CG 3.66Å | ||
| 106 | T | 92.6 | Very high | 91.3 | Very high | 112 Ų | 112 | 56 Ų | 56 | 69% | 0.687 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 123.8 | 178.6 | -51.6 | 0 | 0 | 0 | 0 | 110.7 | D15 A108 | D15-T106 WeakPolarHBondContact OD2-CA 3.44Å; T106-A108 VanDerWaalsContact C-N 3.33Å |
| 107 | G | 90.6 | Very high | 91.5 | Very high | 55 Ų | 55 | 53.7 Ų | 53.7 | 57% | 0.567 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | -5.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | D15 K105 Q109 | D15-G107 WeakPolarHBondContact OD1-CA 3.36Å; D15-G107 PolarHBondContact OD1-N 2.59Å; K105-G107 PolarHBondContact O-N 3.05Å; G107-Q109 PolarHBondContact O-N 3.15Å |
| 108 | A | 92.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | trans | -84.5 | 109 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | D15 F16 K105 T106 D113 F114 | D15-A108 CarbonylContact C-O 3.49Å; D15-A108 WeakPolarHBondContact CA-O 3.41Å; F16-A108 WeakPolarHBondContact CB-O 3.45Å; F16-A108 PolarHBondContact N-O 3.15Å; K105-A108 HydrophobicContact CB-CB 3.86Å; K105-A108 HydrophobicContact CD-CB 4.4Å; K105-A108 HydrophobicContact CG-CB 4.26Å; K105-A108 WeakPolarHBondContact O-CB 3.37Å; K105-A108 PolarHBondContact O-N 3.34Å; T106-A108 VanDerWaalsContact C-N 3.33Å; A108-D113 HydrophobicContact CB-CB 4.22Å; A108-D113 VanDerWaalsContact CB-O 3.31Å; A108-D113 WeakPolarHBondContact CB-O 3.23Å; A108-F114 HydrophobicContact CB-CD2 4.43Å | ||
| 109 | Q | 91.4 | Very high | 92.9 | Very high | 66 Ų | 66 | 50.4 Ų | 50.4 | 31% | 0.308 | 27% | 0.274 | S | S | . | . | trans | -99.7 | -18.1 | -173.4 | -66.3 | -67 | -32.8 | 0 | 0 | 112.6 | S13 E14 D15 G107 | S13-Q109 VanDerWaalsContact C-OE1 3.3Å; S13-Q109 PolarHBondContact O-NE2 3.3Å; S13-Q109 PolarHBondContact O-OE1 3.43Å; S13-Q109 PolarHBondContact OG-OE1 2.64Å; E14-Q109 PolarHBondContact O-OE1 3.39Å; D15-Q109 PolarHBondContact OD1-NE2 3.11Å; G107-Q109 PolarHBondContact O-N 3.15Å | ||
| 110 | T | 91.1 | Very high | 93.4 | Very high | 61 Ų | 61 | 45.5 Ų | 45.5 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -130.9 | 165.2 | 178.1 | 76.8 | 0 | 0 | 0 | 0 | 111.3 | T112 D113 F114 | T110-T112 PolarHBondContact O-N 3.35Å; T110-T112 PolarHBondContact OG1-N 2.81Å; T110-D113 WeakPolarHBondContact CB-OD2 3.23Å; T110-D113 PolarHBondContact N-OD2 2.61Å; T110-D113 PolarHBondContact O-N 2.97Å; T110-D113 VanDerWaalsContact O-N 3.11Å; T110-D113 PolarHBondContact OG1-N 3.39Å; T110-D113 PolarHBondContact OG1-OD2 3.21Å; T110-F114 PolarHBondContact O-N 3.37Å |
| 111 | A | 90.5 | Very high | 93.5 | Very high | 56 Ų | 56 | 51.1 Ų | 51.1 | 46% | 0.463 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -60.1 | -27 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F16 D113 F114 | F16-A111 HydrophobicContact CD2-CB 4.25Å; F16-A111 HydrophobicContact CE1-CB 4.31Å; F16-A111 HydrophobicContact CE2-CB 3.62Å; F16-A111 HydrophobicContact CZ-CB 3.65Å; A111-D113 VanDerWaalsContact C-N 3.33Å; A111-F114 PolarHBondContact O-N 3.45Å |
| 112 | T | 88.5 | Confident | 93.5 | Very high | 83 Ų | 83 | 56.5 Ų | 56.5 | 51% | 0.509 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -71.5 | -31.9 | 178.4 | -52.2 | 0 | 0 | 0 | 0 | 112 | N59 T110 F114 | N59-T112 PolarHBondContact ND2-O 3.03Å; T110-T112 PolarHBondContact O-N 3.35Å; T110-T112 PolarHBondContact OG1-N 2.81Å; T112-F114 VanDerWaalsContact C-N 3.3Å |
| 113 | D | 89 | Confident | 93.2 | Very high | 70 Ų | 70 | 59.9 Ų | 59.9 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -88.8 | -1.3 | 179.5 | -46.3 | -46.5 | 0 | 0 | 0 | 111.8 | A108 T110 A111 | A108-D113 HydrophobicContact CB-CB 4.22Å; A108-D113 VanDerWaalsContact CB-O 3.31Å; A108-D113 WeakPolarHBondContact CB-O 3.23Å; T110-D113 WeakPolarHBondContact CB-OD2 3.23Å; T110-D113 PolarHBondContact N-OD2 2.61Å; T110-D113 PolarHBondContact O-N 2.97Å; T110-D113 VanDerWaalsContact O-N 3.11Å; T110-D113 PolarHBondContact OG1-N 3.39Å; T110-D113 PolarHBondContact OG1-OD2 3.21Å; A111-D113 VanDerWaalsContact C-N 3.33Å |
| 114 | F | 93.7 | Very high | 92.6 | Very high | 7 Ų | 7 | 62 Ų | 62 | 3% | 0.031 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -89.4 | 146.4 | 176.4 | -164 | -94.1 | 0 | 0 | 0 | 110.1 | F16 L18 N59 L92 I103 K105 A108 T110 A111 T112 H116 I118 | F16-F114 HydrophobicContact CD1-CB 3.76Å; F16-F114 AromaticContact CD1-CD2 3.62Å; F16-F114 HydrophobicContact CD1-CD2 3.62Å; F16-F114 HydrophobicContact CD1-CE2 4.39Å; F16-F114 AromaticContact CD1-CG 3.77Å; F16-F114 HydrophobicContact CD1-CG 3.77Å; F16-F114 HydrophobicContact CE1-CB 3.99Å; F16-F114 HydrophobicContact CE1-CD1 4.44Å; F16-F114 HydrophobicContact CE1-CD2 4.15Å; F16-F114 AromaticContact CE1-CG 3.93Å; F16-F114 HydrophobicContact CE1-CG 3.93Å; L18-F114 HydrophobicContact CB-CE1 4Å; L18-F114 HydrophobicContact CB-CE2 4.43Å; L18-F114 HydrophobicContact CB-CZ 3.9Å; L18-F114 HydrophobicContact CD2-CD1 4.4Å; L18-F114 HydrophobicContact CD2-CE1 3.61Å; L18-F114 HydrophobicContact CD2-CZ 4.13Å; L18-F114 HydrophobicContact CG-CE1 4.44Å; N59-F114 PolarHBondContact ND2-O 3.32Å; L92-F114 HydrophobicContact CD1-CZ 4.19Å; I103-F114 HydrophobicContact CB-CZ 4.22Å; I103-F114 HydrophobicContact CG2-CE2 4.49Å; I103-F114 HydrophobicContact CG2-CZ 3.79Å; K105-F114 HydrophobicContact CB-CD2 4.2Å; K105-F114 HydrophobicContact CB-CE2 4.11Å; A108-F114 HydrophobicContact CB-CD2 4.43Å; T110-F114 PolarHBondContact O-N 3.37Å; A111-F114 PolarHBondContact O-N 3.45Å; T112-F114 VanDerWaalsContact C-N 3.3Å; F114-H116 PolarHBondContact O-CD2 3.48Å; F114-H116 PolarHBondContact O-N 2.95Å; F114-I118 HydrophobicContact CE1-CG2 4.33Å |
| 115 | P | 94.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 61.9 Ų | 61.9 | 4% | 0.039 | 33% | 0.328 | C | S | . | . | trans | -62.4 | 130.7 | 179.3 | -24.6 | 34.9 | 0 | 0 | 0 | 112.8 | E32 L92 K105 A117 I118 | E32-P115 HydrophobicContact CB-CB 4.15Å; E32-P115 HydrophobicContact CB-CG 4.14Å; E32-P115 HydrophobicContact CG-CB 3.64Å; E32-P115 HydrophobicContact CG-CG 3.94Å; E32-P115 VanDerWaalsContact OE2-CG 3.29Å; E32-P115 WeakPolarHBondContact OE2-CG 3.02Å; L92-P115 HydrophobicContact CD1-CG 4.49Å; L92-P115 HydrophobicContact CD2-CG 4.43Å; K105-P115 HydrophobicContact CD-CG 3.66Å; P115-A117 VanDerWaalsContact C-N 3.33Å; P115-I118 HydrophobicContact CB-CG2 4.06Å | ||
| 116 | H | 94.5 | Very high | 90.7 | Very high | 65 Ų | 65 | 65.7 Ų | 65.7 | 30% | 0.301 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -81.5 | -11.6 | 179.1 | -63 | 165.7 | 0 | 0 | 0 | 114.1 | N59 V62 R63 F114 | N59-H116 VanDerWaalsContact CB-CE1 3.5Å; N59-H116 WeakPolarHBondContact CB-CE1 3.28Å; N59-H116 WeakPolarHBondContact CB-ND1 3.47Å; N59-H116 PolarHBondContact O-ND1 2.99Å; N59-H116 WeakPolarHBondContact OD1-CB 3.45Å; N59-H116 PolarHBondContact OD1-N 3.3Å; V62-H116 HydrophobicContact CB-CB 3.89Å; V62-H116 HydrophobicContact CG1-CB 3.77Å; V62-H116 HydrophobicContact CG2-CB 4.17Å; R63-H116 PolarHBondContact NE-CE1 3.5Å; R63-H116 VanDerWaalsContact NE-CE1 3.25Å; R63-H116 PolarHBondContact NH2-CE1 3.11Å; F114-H116 PolarHBondContact O-CD2 3.48Å; F114-H116 PolarHBondContact O-N 2.95Å |
| 117 | A | 95.4 | Very high | 89.7 | Confident | 22 Ų | 22 | 67.3 Ų | 67.3 | 18% | 0.182 | 36% | 0.356 | C | S | . | . | trans | -130 | 113.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | V33 V35 V62 P115 | V33-A117 HydrophobicContact CB-CB 4.21Å; V33-A117 PolarHBondContact N-O 2.78Å; V35-A117 HydrophobicContact CG1-CB 3.82Å; V62-A117 HydrophobicContact CG2-CB 3.79Å; P115-A117 VanDerWaalsContact C-N 3.33Å | ||
| 118 | I | 96.8 | Very high | 88.6 | Confident | 47 Ų | 47 | 65.2 Ų | 65.2 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 153 | 177.7 | 63.3 | 168.8 | 0 | 0 | 0 | 110.2 | L18 V30 E31 L92 I103 F114 P115 I120 | L18-I118 HydrophobicContact CD2-CD1 3.97Å; V30-I118 HydrophobicContact CG1-CD1 4.36Å; E31-I118 CarbonylContact O-C 3.5Å; E31-I118 VanDerWaalsContact O-CA 3.26Å; E31-I118 WeakPolarHBondContact O-CA 3.31Å; L92-I118 HydrophobicContact CD1-CB 4.36Å; L92-I118 HydrophobicContact CD1-CG2 3.53Å; I103-I118 HydrophobicContact CD1-CD1 3.62Å; F114-I118 HydrophobicContact CE1-CG2 4.33Å; P115-I118 HydrophobicContact CB-CG2 4.06Å; I118-I120 HydrophobicContact CD1-CD1 4.1Å; I118-I120 HydrophobicContact CD1-CG1 4.24Å |
| 119 | R | 96.9 | Very high | 87.4 | Confident | 49 Ų | 49 | 74.1 Ų | 74.1 | 19% | 0.185 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127.1 | 172.3 | 179.3 | 164.4 | 52.6 | -153.2 | -9.5 | 109.2 | V30 E31 V33 S84 A86 | V30-R119 WeakPolarHBondContact CA-O 3.36Å; E31-R119 HydrophobicContact CG-CB 4.08Å; E31-R119 PolarHBondContact N-O 3.07Å; E31-R119 PolarHBondContact O-N 3.39Å; E31-R119 IonicContact OE1-CZ 2.79Å; E31-R119 IonicContact OE1-NE 2.7Å; E31-R119 PolarHBondContact OE1-NE 3.49Å; E31-R119 IonicContact OE1-NH2 3.5Å; E31-R119 PolarHBondContact OE1-NH2 2.85Å; V33-R119 HydrophobicContact CG2-CB 3.63Å; S84-R119 PolarHBondContact O-NH1 2.94Å; A86-R119 PolarHBondContact O-NH1 2.87Å; A86-R119 PolarHBondContact O-NH2 3.01Å |
| 120 | I | 96.1 | Very high | 86.1 | Confident | 47 Ų | 47 | 73.4 Ų | 73.4 | 24% | 0.241 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 117.8 | 179.6 | -58.8 | 162.8 | 0 | 0 | 0 | 107.5 | L20 V27 V30 L101 I103 I118 Y122 | L20-I120 HydrophobicContact CD1-CD1 3.74Å; V27-I120 HydrophobicContact CG1-CG2 3.86Å; V27-I120 HydrophobicContact CG2-CG2 4.25Å; V30-I120 HydrophobicContact CG1-CG1 4.16Å; V30-I120 HydrophobicContact CG2-CG1 4.23Å; V30-I120 HydrophobicContact CG2-CG2 4.36Å; L101-I120 HydrophobicContact CD2-CD1 3.77Å; L101-I120 HydrophobicContact CD2-CG1 4.28Å; L101-I120 HydrophobicContact CD2-CG2 3.92Å; I103-I120 HydrophobicContact CD1-CD1 4.18Å; I118-I120 HydrophobicContact CD1-CD1 4.1Å; I118-I120 HydrophobicContact CD1-CG1 4.24Å; I120-Y122 HydrophobicContact CG2-CD1 4.27Å |
| 121 | W | 94.9 | Very high | 84.8 | Confident | 127 Ų | 127 | 73.7 Ų | 73.7 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 117.4 | 172.5 | -61.6 | 84.9 | 0 | 0 | 0 | 108 | L28 K29 E31 | L28-W121 HydrophobicContact CB-CB 4.28Å; L28-W121 PolarHBondContact N-O 3.43Å; K29-W121 HydrophobicContact CB-CB 4.08Å; K29-W121 HydrophobicContact CB-CG 4.16Å; K29-W121 PolarHBondContact N-O 2.96Å; K29-W121 PolarHBondContact O-N 3.45Å; E31-W121 PolarHBondContact OE1-NE1 3.23Å |
| 122 | Y | 92.9 | Very high | 83.1 | Confident | 115 Ų | 115 | 75.7 Ų | 75.7 | 45% | 0.451 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 159.9 | -177.7 | 66.6 | -89 | 0 | 0 | 0 | 112 | L25 S26 I120 T124 | L25-Y122 HydrophobicContact CD2-CD2 3.72Å; L25-Y122 HydrophobicContact CD2-CE2 4.04Å; L25-Y122 HydrophobicContact CD2-CG 4.43Å; S26-Y122 CarbonylContact O-C 3.56Å; S26-Y122 VanDerWaalsContact O-CA 3.31Å; S26-Y122 WeakPolarHBondContact O-CA 3.38Å; I120-Y122 HydrophobicContact CG2-CD1 4.27Å; Y122-T124 HydrophobicContact CD2-CG2 4.03Å; Y122-T124 HydrophobicContact CE2-CG2 3.72Å |
| 123 | K | 88.9 | Confident | 81.4 | Confident | 131 Ų | 131 | 81.2 Ų | 81.2 | 57% | 0.57 | 39% | 0.389 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 139 | 165.7 | -68.3 | 170.1 | 177.4 | 173.5 | 0 | 108.5 | S26 L28 | S26-K123 PolarHBondContact N-O 2.95Å; S26-K123 PolarHBondContact O-N 3.18Å; L28-K123 HydrophobicContact CD1-CD 4.21Å; L28-K123 HydrophobicContact CD1-CG 4.1Å; L28-K123 HydrophobicContact CD2-CD 4.34Å |
| 124 | T | 84.7 | Confident | 79.9 | Confident | 43 Ų | 43 | 83.5 Ų | 83.5 | 26% | 0.264 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 150.3 | 168.6 | 55.3 | 0 | 0 | 0 | 0 | 109.3 | L25 Y122 V131 W133 | L25-T124 HydrophobicContact CD2-CG2 4.16Å; Y122-T124 HydrophobicContact CD2-CG2 4.03Å; Y122-T124 HydrophobicContact CE2-CG2 3.72Å; T124-V131 HydrophobicContact CG2-CB 3.87Å; T124-V131 HydrophobicContact CG2-CG1 4.36Å; T124-V131 HydrophobicContact CG2-CG2 4.1Å; T124-W133 PolarHBondContact OG1-NE1 2.88Å |
| 125 | K | 74.6 | Confident | 78.3 | Confident | 98 Ų | 98 | 88.5 Ų | 88.5 | 43% | 0.426 | 44% | 0.442 | S | S | . | . | trans | -95.4 | 146.4 | 169.5 | -63.7 | 178.9 | -175.2 | 170.7 | 0 | 109 | S26 E127 G128 | S26-K125 WeakPolarHBondContact OG-CE 3.31Å; K125-E127 PolarHBondContact O-N 2.91Å; K125-G128 WeakPolarHBondContact O-CA 3.22Å; K125-G128 PolarHBondContact O-N 2.88Å | ||
| 126 | P | 74.4 | Confident | 76.8 | Confident | 116 Ų | 116 | 92.3 Ų | 92.3 | 75% | 0.753 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -29.5 | 173.7 | -24.9 | 34.3 | 0 | 0 | 0 | 113.3 | G128 | P126-G128 VanDerWaalsContact C-N 3.26Å; P126-G128 PolarHBondContact O-N 3.5Å |
| 127 | E | 72.8 | Confident | 75 | Confident | 146 Ų | 146 | 99.3 Ų | 99.3 | 68% | 0.682 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -2.4 | 178 | -51.4 | 74 | -155.8 | 0 | 0 | 113 | K125 | K125-E127 PolarHBondContact O-N 2.91Š|
| 128 | G | 66.9 | Low | 73.5 | Confident | 12 Ų | 12 | 101.6 Ų | 101.6 | 12% | 0.124 | 51% | 0.51 | C | S | . | . | trans | -75 | 137.7 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | D24 K125 P126 | D24-G128 VanDerWaalsContact CB-CA 3.4Å; D24-G128 WeakPolarHBondContact OD2-CA 3.47Å; K125-G128 WeakPolarHBondContact O-CA 3.22Å; K125-G128 PolarHBondContact O-N 2.88Å; P126-G128 VanDerWaalsContact C-N 3.26Å; P126-G128 PolarHBondContact O-N 3.5Å | ||
| 129 | R | 67.3 | Low | 71.4 | Confident | 189 Ų | 189 | 102.9 Ų | 102.9 | 71% | 0.713 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -96 | -15.7 | -175.1 | -55.1 | -179 | -153 | 176.1 | 6.9 | 114.5 | D24 | D24-R129 PolarHBondContact OD2-N 2.9Š|
| 130 | S | 63.7 | Low | 69.2 | Low | 51 Ų | 51 | 114 Ų | 114 | 36% | 0.357 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -79.5 | -29.4 | -176.3 | -58.7 | 0 | 0 | 0 | 0 | 114 | C23 | C23-S130 VanDerWaalsContact C-OG 3.25Å; C23-S130 VanDerWaalsContact CA-OG 3.25Å; C23-S130 WeakPolarHBondContact CA-OG 3.42Å; C23-S130 WeakPolarHBondContact CB-OG 3.48Å; C23-S130 PolarHBondContact N-OG 3.17Å; C23-S130 VanDerWaalsContact O-CB 3.22Å; C23-S130 WeakPolarHBondContact O-CB 3.41Å; C23-S130 PolarHBondContact O-OG 3.43Å |
| 131 | V | 63.6 | Low | 67.8 | Low | 67 Ų | 67 | 117.4 Ų | 117.4 | 41% | 0.406 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -135.2 | 82.4 | 177.6 | -172.6 | 0 | 0 | 0 | 0 | 106.7 | L25 T124 W133 | L25-V131 HydrophobicContact CD2-CG2 4.46Å; T124-V131 HydrophobicContact CG2-CB 3.87Å; T124-V131 HydrophobicContact CG2-CG1 4.36Å; T124-V131 HydrophobicContact CG2-CG2 4.1Å; V131-W133 PolarHBondContact O-N 2.86Å |
| 132 | T | 54.9 | Low | 66.4 | Low | 98 Ų | 98 | 116.9 Ų | 116.9 | 60% | 0.601 | 60% | 0.599 | S | S | * | * | trans | -65.6 | 124.4 | 178.4 | -51.2 | 0 | 0 | 0 | 0 | 108.8 | T134 | T132-T134 VanDerWaalsContact C-N 3.27Å; T132-T134 HydrophobicContact CG2-CG2 4.46Å; T132-T134 PolarHBondContact O-N 3.3Å | ||
| 133 | W | 53.4 | Low | 64.9 | Low | 200 Ų | 200 | 117 Ų | 117 | 76% | 0.758 | 61% | 0.607 | S | S | * | * | trans | -65.8 | 92 | 167 | -72.5 | 72.2 | 0 | 0 | 0 | 107.8 | T124 V131 | T124-W133 PolarHBondContact OG1-NE1 2.88Å; V131-W133 PolarHBondContact O-N 2.86Å | ||
| 134 | T | 57.2 | Low | 63.5 | Low | 118 Ų | 118 | 116.2 Ų | 116.2 | 72% | 0.724 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 131 | 170.9 | 59.5 | 0 | 0 | 0 | 0 | 107.9 | T132 D136 | T132-T134 VanDerWaalsContact C-N 3.27Å; T132-T134 HydrophobicContact CG2-CG2 4.46Å; T132-T134 PolarHBondContact O-N 3.3Å; T134-D136 PolarHBondContact O-N 3.45Å |
| 135 | S | 61.1 | Low | 62.2 | Low | 112 Ų | 112 | 120.8 Ų | 120.8 | 78% | 0.783 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 139.8 | 164.2 | -44 | 0 | 0 | 0 | 0 | 108.5 | ||
| 136 | D | 62.3 | Low | 61.4 | Low | 85 Ų | 85 | 122.3 Ų | 122.3 | 46% | 0.455 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 152.5 | 173.9 | 77.3 | 5.3 | 0 | 0 | 0 | 109.6 | T134 S138 G139 R140 | T134-D136 PolarHBondContact O-N 3.45Å; D136-S138 PolarHBondContact O-N 3.38Å; D136-S138 WeakPolarHBondContact OD1-CA 3.42Å; D136-S138 PolarHBondContact OD1-N 2.63Å; D136-S138 PolarHBondContact OD1-OG 3.43Å; D136-S138 WeakPolarHBondContact OD2-CB 3.47Å; D136-S138 PolarHBondContact OD2-OG 2.89Å; D136-G139 PolarHBondContact O-N 3.02Å; D136-G139 PolarHBondContact OD1-N 3.03Å; D136-R140 PolarHBondContact OD1-N 3.03Å |
| 137 | Q | 56.8 | Low | 60.5 | Low | 212 Ų | 212 | 122.7 Ų | 122.7 | 99% | 0.991 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 3.6 | 175.8 | -64.4 | -173 | -10.1 | 0 | 0 | 112.2 | ||
| 138 | S | 63.8 | Low | 59.5 | Low | 71 Ų | 71 | 120.9 Ų | 120.9 | 50% | 0.497 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.3 | -13.4 | -179.2 | 98.6 | 0 | 0 | 0 | 0 | 112.4 | D136 R140 | D136-S138 PolarHBondContact O-N 3.38Å; D136-S138 WeakPolarHBondContact OD1-CA 3.42Å; D136-S138 PolarHBondContact OD1-N 2.63Å; D136-S138 PolarHBondContact OD1-OG 3.43Å; D136-S138 WeakPolarHBondContact OD2-CB 3.47Å; D136-S138 PolarHBondContact OD2-OG 2.89Å; S138-R140 PolarHBondContact O-N 3.2Å; S138-R140 WeakPolarHBondContact OG-CB 3.41Å |
| 139 | G | 53.3 | Low | 58.9 | Low | 74 Ų | 74 | 130 Ų | 130 | 76% | 0.763 | 68% | 0.676 | S | S | * | * | trans | 58.8 | 26.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | D136 | D136-G139 PolarHBondContact O-N 3.02Å; D136-G139 PolarHBondContact OD1-N 3.03Å | ||
| 140 | R | 49.5 | Very low | 58.1 | Low | 283 Ų | 283 | 124.6 Ų | 124.6 | 100% | 1.068 | 67% | 0.673 | S | S | * | * | trans | -108.4 | 0 | 178.4 | -72.6 | -173.7 | 161 | -158.9 | -4.5 | 111.9 | D136 S138 | D136-R140 PolarHBondContact OD1-N 3.03Å; S138-R140 PolarHBondContact O-N 3.2Å; S138-R140 WeakPolarHBondContact OG-CB 3.41Å |
Retrieved 140 of 140 residues in 67.4 ms
(Link to these results)