| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.8 | Very low | 37.2 | Very low | 245 Ų | 245 | 136.4 Ų | 136.4 | 100% | 1.207 | 76% | 0.756 | S | S | * | * | 0 | 93.2 | 0 | -80.3 | 173.3 | 177.6 | 0 | 0 | 106.3 | |||||
| 2 | T | 30 | Very low | 38.5 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 82% | 0.822 | 73% | 0.728 | S | S | * | * | trans | -68 | 120.3 | 173.5 | 38.4 | 0 | 0 | 0 | 0 | 107.8 | D4 | T2-D4 PolarHBondContact O-N 3.44Š| ||
| 3 | L | 31.7 | Very low | 40.5 | Very low | 167 Ų | 167 | 124.5 Ų | 124.5 | 87% | 0.874 | 69% | 0.694 | S | S | * | * | trans | -83.2 | 107.1 | 166.8 | -77.5 | 164.4 | 0 | 0 | 0 | 106.4 | V5 | L3-V5 PolarHBondContact O-N 2.81Š| ||
| 4 | D | 29.3 | Very low | 42.3 | Very low | 160 Ų | 160 | 128.1 Ų | 128.1 | 86% | 0.856 | 69% | 0.692 | S | S | * | * | trans | -56.1 | 121.3 | 163.8 | -84.1 | -37.4 | 0 | 0 | 0 | 108.7 | T2 | T2-D4 PolarHBondContact O-N 3.44Š| ||
| 5 | V | 30.7 | Very low | 44.2 | Very low | 135 Ų | 135 | 120.4 Ų | 120.4 | 82% | 0.818 | 65% | 0.652 | S | S | * | * | trans | -88.6 | 101.8 | 169.5 | -176.8 | 0 | 0 | 0 | 0 | 106.1 | L3 | L3-V5 PolarHBondContact O-N 2.81Š| ||
| 6 | G | 31 | Very low | 46.2 | Very low | 49 Ų | 49 | 112.9 Ų | 112.9 | 51% | 0.505 | 61% | 0.612 | S | S | . | * | trans | -81.8 | 173.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E8 | G6-E8 VanDerWaalsContact C-N 3.28Å; G6-E8 PolarHBondContact O-N 3.36Å; G6-E8 VanDerWaalsContact O-N 3.08Å | ||
| 7 | P | 36.9 | Very low | 48.1 | Very low | 137 Ų | 137 | 107.5 Ų | 107.5 | 89% | 0.89 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -85.2 | 39.1 | -169.8 | 28 | -18.6 | 0 | 0 | 0 | 114.4 | ||
| 8 | E | 41.3 | Very low | 50.2 | Low | 179 Ų | 179 | 107.4 Ų | 107.4 | 84% | 0.836 | 58% | 0.579 | S | S | * | * | trans | -120.3 | 50.7 | -172.1 | -67.7 | -168.8 | 160.6 | 0 | 0 | 114.6 | G6 | G6-E8 VanDerWaalsContact C-N 3.28Å; G6-E8 PolarHBondContact O-N 3.36Å; G6-E8 VanDerWaalsContact O-N 3.08Å | ||
| 9 | D | 42.8 | Very low | 52.2 | Low | 147 Ų | 147 | 106.3 Ų | 106.3 | 79% | 0.786 | 57% | 0.57 | S | S | * | * | trans | -112.7 | 30.7 | 172.3 | -83 | -25.9 | 0 | 0 | 0 | 112.9 | ||||
| 10 | E | 52.1 | Low | 54.2 | Low | 94 Ų | 94 | 101 Ų | 101 | 44% | 0.439 | 54% | 0.541 | S | S | . | . | trans | -92.6 | 111.5 | 172.2 | -69.6 | -172.8 | -173.2 | 0 | 0 | 110.5 | R75 | E10-R75 IonicContact OE1-CZ 3.92Å; E10-R75 IonicContact OE1-NH2 2.77Å; E10-R75 PolarHBondContact OE1-NH2 3.45Å | ||
| 11 | L | 48.4 | Very low | 56 | Low | 53 Ų | 53 | 101.1 Ų | 101.1 | 28% | 0.277 | 54% | 0.535 | S | S | . | . | B | Isolated β-bridge | trans | -71.7 | 136.6 | 171.8 | -71.1 | 169 | 0 | 0 | 0 | 109.3 | A15 A16 E19 S99 | L11-A15 HydrophobicContact CB-CB 4.26Å; L11-A15 HydrophobicContact CD2-CB 4.31Å; L11-A16 HydrophobicContact CB-CB 3.92Å; L11-A16 HydrophobicContact CD1-CB 4.15Å; L11-E19 WeakPolarHBondContact CD1-OE2 3.29Å; L11-S99 WeakPolarHBondContact O-CA 3.12Å; L11-S99 WeakPolarHBondContact O-CB 3.27Å |
| 12 | P | 53.2 | Low | 58.8 | Low | 66 Ų | 66 | 95.2 Ų | 95.2 | 43% | 0.429 | 51% | 0.505 | S | S | . | . | trans | -50.7 | 147 | 168.1 | -25.8 | 31.7 | 0 | 0 | 0 | 111.4 | W14 A15 A16 | P12-W14 HydrophobicContact CB-CG 4.48Å; P12-W14 PolarHBondContact O-N 3.47Å; P12-A15 HydrophobicContact CB-CB 4.08Å; P12-A15 HydrophobicContact CG-CB 4.2Å; P12-A15 WeakPolarHBondContact O-CA 3.14Å; P12-A15 WeakPolarHBondContact O-CB 3.4Å; P12-A15 PolarHBondContact O-N 3.37Å; P12-A16 PolarHBondContact O-N 2.75Å | ||
| 13 | D | 63.8 | Low | 62 | Low | 53 Ų | 53 | 92.3 Ų | 92.3 | 28% | 0.283 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -49.1 | -41.1 | -178.3 | -75.4 | -12.6 | 0 | 0 | 0 | 113.9 | A15 A17 S99 S100 S101 | D13-A15 VanDerWaalsContact C-N 3.34Å; D13-A17 WeakPolarHBondContact O-CB 3.47Å; D13-A17 PolarHBondContact O-N 3.46Å; D13-S99 VanDerWaalsContact OD1-CB 3.29Å; D13-S99 WeakPolarHBondContact OD1-CB 3.36Å; D13-S99 PolarHBondContact OD1-OG 3.25Å; D13-S100 WeakPolarHBondContact OD1-CA 3.31Å; D13-S100 PolarHBondContact OD1-N 2.73Å; D13-S100 PolarHBondContact OD1-OG 3.06Å; D13-S100 PolarHBondContact OD2-OG 2.92Å; D13-S101 PolarHBondContact OD1-N 3.41Å; D13-S101 VanDerWaalsContact OD2-CB 3.24Å; D13-S101 WeakPolarHBondContact OD2-CB 3.13Å; D13-S101 PolarHBondContact OD2-OG 2.66Å |
| 14 | W | 66.5 | Low | 65.1 | Low | 175 Ų | 175 | 84.5 Ų | 84.5 | 66% | 0.663 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -71.2 | -28.3 | 176.6 | 69.4 | -92.4 | 0 | 0 | 0 | 113 | P12 K18 | P12-W14 HydrophobicContact CB-CG 4.48Å; P12-W14 PolarHBondContact O-N 3.47Å; W14-K18 HydrophobicContact CE3-CD 4.09Å; W14-K18 HydrophobicContact CZ3-CD 3.85Å; W14-K18 WeakPolarHBondContact O-CB 3.32Å; W14-K18 PolarHBondContact O-N 2.79Å |
| 15 | A | 70 | Confident | 68.2 | Low | 12 Ų | 12 | 79.2 Ų | 79.2 | 10% | 0.099 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -78.3 | -47.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L11 P12 D13 A17 K18 E19 | L11-A15 HydrophobicContact CB-CB 4.26Å; L11-A15 HydrophobicContact CD2-CB 4.31Å; P12-A15 HydrophobicContact CB-CB 4.08Å; P12-A15 HydrophobicContact CG-CB 4.2Å; P12-A15 WeakPolarHBondContact O-CA 3.14Å; P12-A15 WeakPolarHBondContact O-CB 3.4Å; P12-A15 PolarHBondContact O-N 3.37Å; D13-A15 VanDerWaalsContact C-N 3.34Å; A15-A17 PolarHBondContact O-N 3.4Å; A15-K18 PolarHBondContact O-N 3.27Å; A15-K18 VanDerWaalsContact O-N 3.16Å; A15-E19 WeakPolarHBondContact O-CG 3.2Å; A15-E19 PolarHBondContact O-N 3.26Å |
| 16 | A | 75.9 | Confident | 71.2 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.8 | -45 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L11 P12 K18 E19 F20 E98 | L11-A16 HydrophobicContact CB-CB 3.92Å; L11-A16 HydrophobicContact CD1-CB 4.15Å; P12-A16 PolarHBondContact O-N 2.75Å; A16-K18 VanDerWaalsContact C-N 3.34Å; A16-K18 PolarHBondContact O-N 3.24Å; A16-E19 PolarHBondContact O-N 2.67Å; A16-F20 WeakPolarHBondContact O-CB 3.18Å; A16-F20 PolarHBondContact O-N 2.83Å; A16-E98 WeakPolarHBondContact CB-O 3.49Å |
| 17 | A | 79.4 | Confident | 74.2 | Confident | 22 Ų | 22 | 75 Ų | 75 | 18% | 0.182 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | D13 A15 E19 F20 Y21 F104 | D13-A17 WeakPolarHBondContact O-CB 3.47Å; D13-A17 PolarHBondContact O-N 3.46Å; A15-A17 PolarHBondContact O-N 3.4Å; A17-E19 PolarHBondContact O-N 2.67Å; A17-F20 PolarHBondContact O-N 3.46Å; A17-Y21 HydrophobicContact CB-CD2 4.23Å; A17-Y21 HydrophobicContact CB-CE2 4.18Å; A17-Y21 WeakPolarHBondContact O-CB 3.11Å; A17-Y21 WeakPolarHBondContact O-CD2 3.39Å; A17-Y21 PolarHBondContact O-N 2.82Å; A17-F104 HydrophobicContact CB-CZ 4.42Å |
| 18 | K | 85.1 | Confident | 76.7 | Confident | 106 Ų | 106 | 72.2 Ų | 72.2 | 46% | 0.461 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 179.5 | 179.6 | -177.1 | -178.4 | -172.8 | 0 | 112.1 | W14 A15 A16 Y21 Q22 | W14-K18 HydrophobicContact CE3-CD 4.09Å; W14-K18 HydrophobicContact CZ3-CD 3.85Å; W14-K18 WeakPolarHBondContact O-CB 3.32Å; W14-K18 PolarHBondContact O-N 2.79Å; A15-K18 PolarHBondContact O-N 3.27Å; A15-K18 VanDerWaalsContact O-N 3.16Å; A16-K18 VanDerWaalsContact C-N 3.34Å; A16-K18 PolarHBondContact O-N 3.24Å; K18-Y21 PolarHBondContact O-N 3.49Å; K18-Q22 HydrophobicContact CG-CG 4.28Å; K18-Q22 VanDerWaalsContact O-CB 3.23Å; K18-Q22 WeakPolarHBondContact O-CB 3.43Å; K18-Q22 WeakPolarHBondContact O-CG 3.04Å; K18-Q22 PolarHBondContact O-N 2.63Å |
| 19 | E | 89 | Confident | 78.9 | Confident | 85 Ų | 85 | 66.4 Ų | 66.4 | 40% | 0.397 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.1 | -46 | 178 | -73.5 | -172.4 | 179.6 | 0 | 0 | 111.8 | L11 A15 A16 A17 Q22 K23 Y97 | L11-E19 WeakPolarHBondContact CD1-OE2 3.29Å; A15-E19 WeakPolarHBondContact O-CG 3.2Å; A15-E19 PolarHBondContact O-N 3.26Å; A16-E19 PolarHBondContact O-N 2.67Å; A17-E19 PolarHBondContact O-N 2.67Å; E19-Q22 PolarHBondContact O-N 3.15Å; E19-K23 PolarHBondContact O-N 3.07Å; E19-K23 VanDerWaalsContact O-N 3.08Å; E19-Y97 HydrophobicContact CB-CD1 3.84Å; E19-Y97 HydrophobicContact CB-CE1 3.79Å |
| 20 | F | 92.6 | Very high | 81 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.8 | -53.2 | 174.3 | 171.5 | -98.9 | 0 | 0 | 0 | 111.4 | A16 A17 Q22 K23 Y24 P26 V52 Y97 F104 V106 | A16-F20 WeakPolarHBondContact O-CB 3.18Å; A16-F20 PolarHBondContact O-N 2.83Å; A17-F20 PolarHBondContact O-N 3.46Å; F20-Q22 VanDerWaalsContact C-N 3.26Å; F20-Q22 PolarHBondContact O-N 2.82Å; F20-K23 PolarHBondContact O-N 2.88Å; F20-Y24 AromaticContact CD2-CD2 3.89Å; F20-Y24 HydrophobicContact CD2-CD2 3.89Å; F20-Y24 HydrophobicContact CD2-CG 4.34Å; F20-Y24 AromaticContact CE2-CD2 3.94Å; F20-Y24 HydrophobicContact CE2-CD2 3.94Å; F20-Y24 AromaticContact CE2-CG 3.95Å; F20-Y24 HydrophobicContact CE2-CG 3.95Å; F20-Y24 WeakPolarHBondContact O-CA 3.3Å; F20-Y24 WeakPolarHBondContact O-CB 3.5Å; F20-Y24 PolarHBondContact O-N 2.86Å; F20-P26 HydrophobicContact CE1-CB 4.46Å; F20-P26 HydrophobicContact CE1-CG 4.14Å; F20-P26 HydrophobicContact CZ-CB 4.49Å; F20-V52 HydrophobicContact CD2-CG2 4.42Å; F20-V52 HydrophobicContact CE2-CB 4.05Å; F20-V52 HydrophobicContact CE2-CG1 4.31Å; F20-V52 HydrophobicContact CE2-CG2 3.63Å; F20-V52 HydrophobicContact CZ-CB 4.14Å; F20-V52 HydrophobicContact CZ-CG1 3.87Å; F20-V52 HydrophobicContact CZ-CG2 3.9Å; F20-Y97 HydrophobicContact CB-CD2 3.91Å; F20-Y97 HydrophobicContact CB-CE2 4.24Å; F20-Y97 HydrophobicContact CB-CG 4.11Å; F20-Y97 AromaticContact CD2-CD2 3.97Å; F20-Y97 HydrophobicContact CD2-CD2 3.97Å; F20-Y97 HydrophobicContact CD2-CE2 4.01Å; F20-Y97 HydrophobicContact CG-CD2 4.42Å; F20-F104 HydrophobicContact CB-CD1 4.37Å; F20-F104 HydrophobicContact CB-CG 4.28Å; F20-F104 AromaticContact CD1-CD1 3.72Å; F20-F104 HydrophobicContact CD1-CD1 3.72Å; F20-F104 AromaticContact CD1-CE1 3.88Å; F20-F104 HydrophobicContact CD1-CE1 3.88Å; F20-F104 HydrophobicContact CD1-CG 4.44Å; F20-F104 HydrophobicContact CD2-CB 4.12Å; F20-F104 HydrophobicContact CD2-CD1 4.17Å; F20-F104 HydrophobicContact CD2-CG 4.34Å; F20-F104 HydrophobicContact CE1-CD1 4.08Å; F20-F104 HydrophobicContact CE1-CE1 4.3Å; F20-F104 HydrophobicContact CE2-CD1 4.49Å; F20-F104 HydrophobicContact CG-CB 4.32Å; F20-F104 AromaticContact CG-CD1 3.78Å; F20-F104 HydrophobicContact CG-CD1 3.78Å; F20-F104 HydrophobicContact CG-CE1 4.31Å; F20-F104 HydrophobicContact CG-CG 4.07Å; F20-F104 HydrophobicContact CZ-CD1 4.47Å; F20-V106 HydrophobicContact CD2-CG2 4.41Å; F20-V106 HydrophobicContact CE2-CG2 4.16Å |
| 21 | Y | 91.8 | Very high | 82.3 | Confident | 104 Ų | 104 | 59.9 Ų | 59.9 | 41% | 0.408 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.2 | -23.9 | -177.8 | -73.6 | -66.9 | 0 | 0 | 0 | 113.5 | A17 K18 Y24 P26 R44 | A17-Y21 HydrophobicContact CB-CD2 4.23Å; A17-Y21 HydrophobicContact CB-CE2 4.18Å; A17-Y21 WeakPolarHBondContact O-CB 3.11Å; A17-Y21 WeakPolarHBondContact O-CD2 3.39Å; A17-Y21 PolarHBondContact O-N 2.82Å; K18-Y21 PolarHBondContact O-N 3.49Å; Y21-Y24 CarbonylContact C-O 3.46Å; Y21-Y24 VanDerWaalsContact O-O 3.12Å; Y21-P26 HydrophobicContact CD1-CG 4.07Å; Y21-P26 HydrophobicContact CE1-CG 3.62Å; Y21-R44 PolarHBondContact O-NE 3.4Å; Y21-R44 PolarHBondContact O-NH2 3.47Å |
| 22 | Q | 94.1 | Very high | 83.8 | Confident | 122 Ų | 122 | 67.1 Ų | 67.1 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -72.4 | -36.8 | 172.6 | -81.4 | 179.6 | -2.8 | 0 | 0 | 112.5 | K18 E19 F20 R44 | K18-Q22 HydrophobicContact CG-CG 4.28Å; K18-Q22 VanDerWaalsContact O-CB 3.23Å; K18-Q22 WeakPolarHBondContact O-CB 3.43Å; K18-Q22 WeakPolarHBondContact O-CG 3.04Å; K18-Q22 PolarHBondContact O-N 2.63Å; E19-Q22 PolarHBondContact O-N 3.15Å; F20-Q22 VanDerWaalsContact C-N 3.26Å; F20-Q22 PolarHBondContact O-N 2.82Å; Q22-R44 WeakPolarHBondContact O-CD 3.46Å |
| 23 | K | 95.8 | Very high | 84.6 | Confident | 73 Ų | 73 | 66 Ų | 66 | 32% | 0.317 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -91.3 | -34.6 | -178.3 | -165.4 | 178.6 | -177.2 | -174 | 0 | 112.7 | E19 F20 H43 R44 D95 Y97 | E19-K23 PolarHBondContact O-N 3.07Å; E19-K23 VanDerWaalsContact O-N 3.08Å; F20-K23 PolarHBondContact O-N 2.88Å; K23-H43 WeakPolarHBondContact CE-NE2 3.27Å; K23-H43 WeakPolarHBondContact CG-NE2 3.19Å; K23-R44 PolarHBondContact O-N 2.72Å; K23-D95 WeakPolarHBondContact CE-OD2 3.2Å; K23-D95 IonicContact NZ-OD1 2.84Å; K23-D95 PolarHBondContact NZ-OD1 3.07Å; K23-D95 IonicContact NZ-OD2 3.65Å; K23-D95 PolarHBondContact NZ-OD2 3.03Å; K23-Y97 WeakPolarHBondContact CD-OH 3.2Å |
| 24 | Y | 97 | Very high | 84.9 | Confident | 3 Ų | 3 | 68.3 Ų | 68.3 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 147.3 | -172.9 | -65.5 | -79.4 | 0 | 0 | 0 | 112.8 | F20 Y21 V42 H43 R44 F50 D95 Y97 V106 | F20-Y24 AromaticContact CD2-CD2 3.89Å; F20-Y24 HydrophobicContact CD2-CD2 3.89Å; F20-Y24 HydrophobicContact CD2-CG 4.34Å; F20-Y24 AromaticContact CE2-CD2 3.94Å; F20-Y24 HydrophobicContact CE2-CD2 3.94Å; F20-Y24 AromaticContact CE2-CG 3.95Å; F20-Y24 HydrophobicContact CE2-CG 3.95Å; F20-Y24 WeakPolarHBondContact O-CA 3.3Å; F20-Y24 WeakPolarHBondContact O-CB 3.5Å; F20-Y24 PolarHBondContact O-N 2.86Å; Y21-Y24 CarbonylContact C-O 3.46Å; Y21-Y24 VanDerWaalsContact O-O 3.12Å; Y24-V42 CarbonylContact C-O 3.47Å; Y24-V42 WeakPolarHBondContact CA-O 3.22Å; Y24-H43 HydrophobicContact CD1-CB 4.03Å; Y24-H43 HydrophobicContact CE1-CB 3.74Å; Y24-H43 AromaticContact CE1-CD2 3.69Å; Y24-H43 AromaticContact CZ-CD2 3.78Å; Y24-R44 PolarHBondContact O-NH2 2.87Å; Y24-F50 HydrophobicContact CD1-CD2 4.43Å; Y24-F50 AromaticContact CE1-CD2 3.78Å; Y24-F50 HydrophobicContact CE1-CD2 3.78Å; Y24-F50 HydrophobicContact CE1-CE2 4.18Å; Y24-F50 HydrophobicContact CE1-CG 4.42Å; Y24-D95 HydrophobicContact CE2-CB 4.37Å; Y24-D95 WeakPolarHBondContact CE2-OD2 3.18Å; Y24-D95 VanDerWaalsContact CZ-OD2 3.31Å; Y24-D95 PolarHBondContact OH-OD2 2.67Å; Y24-Y97 HydrophobicContact CD2-CE2 4.21Å; Y24-Y97 HydrophobicContact CE2-CE2 4.03Å; Y24-V106 HydrophobicContact CD2-CG2 4.27Å; Y24-V106 HydrophobicContact CE1-CG1 4Å; Y24-V106 HydrophobicContact CE2-CG1 4.49Å; Y24-V106 HydrophobicContact CE2-CG2 3.97Å |
| 25 | D | 94.3 | Very high | 85.2 | Confident | 48 Ų | 48 | 62.4 Ų | 62.4 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 101.6 | 173.9 | -165.4 | 38.3 | 0 | 0 | 0 | 110.1 | K27 C41 V42 R44 | D25-K27 VanDerWaalsContact OD2-CE 3.3Å; D25-K27 WeakPolarHBondContact OD2-CE 3.33Å; D25-K27 IonicContact OD2-NZ 3.14Å; D25-K27 PolarHBondContact OD2-NZ 3.3Å; D25-C41 WeakPolarHBondContact O-CA 3.34Å; D25-V42 PolarHBondContact N-O 3.37Å; D25-V42 PolarHBondContact O-N 3.41Å; D25-R44 HydrophobicContact CB-CG 4.29Å; D25-R44 IonicContact OD1-CZ 3.94Å; D25-R44 IonicContact OD1-NH1 3.18Å; D25-R44 PolarHBondContact OD1-NH1 2.77Å; D25-R44 IonicContact OD1-NH2 2.87Å; D25-R44 PolarHBondContact OD1-NH2 3.26Å |
| 26 | P | 93.3 | Very high | 85.8 | Confident | 21 Ų | 21 | 63.1 Ų | 63.1 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 141.9 | -179.2 | 26.3 | -30.2 | 0 | 0 | 0 | 111.9 | F20 Y21 | F20-P26 HydrophobicContact CE1-CB 4.46Å; F20-P26 HydrophobicContact CE1-CG 4.14Å; F20-P26 HydrophobicContact CZ-CB 4.49Å; Y21-P26 HydrophobicContact CD1-CG 4.07Å; Y21-P26 HydrophobicContact CE1-CG 3.62Å |
| 27 | K | 94.4 | Very high | 86.3 | Confident | 75 Ų | 75 | 64.7 Ų | 64.7 | 33% | 0.326 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | -137.8 | -174.2 | -57.1 | -58.6 | -169.6 | -176.1 | 0 | 110.4 | D25 R39 R40 V42 | D25-K27 VanDerWaalsContact OD2-CE 3.3Å; D25-K27 WeakPolarHBondContact OD2-CE 3.33Å; D25-K27 IonicContact OD2-NZ 3.14Å; D25-K27 PolarHBondContact OD2-NZ 3.3Å; K27-R39 VanDerWaalsContact O-CZ 3.25Å; K27-R39 PolarHBondContact O-NE 2.89Å; K27-R39 PolarHBondContact O-NH2 3.36Å; K27-R40 WeakPolarHBondContact CA-O 3.12Å; K27-R40 HydrophobicContact CB-CB 4.37Å; K27-R40 WeakPolarHBondContact CB-O 3.42Å; K27-R40 PolarHBondContact N-O 3.39Å; K27-V42 HydrophobicContact CG-CG2 4.1Å |
| 28 | D | 89.2 | Confident | 86.9 | Confident | 78 Ų | 78 | 65.5 Ų | 65.5 | 42% | 0.417 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 153.9 | 179.8 | 50.8 | -71.6 | 0 | 0 | 0 | 113 | I30 R39 R40 | D28-I30 WeakPolarHBondContact OD2-CG2 3.4Å; D28-R39 CarbonylContact O-C 3.58Å; D28-R39 VanDerWaalsContact O-CA 3.28Å; D28-R39 WeakPolarHBondContact O-CA 3.42Å; D28-R39 WeakPolarHBondContact O-CB 3.35Å; D28-R40 PolarHBondContact O-N 3.33Å; D28-R40 IonicContact OD1-CZ 2.67Å; D28-R40 IonicContact OD1-NE 2.68Å; D28-R40 PolarHBondContact OD1-NE 2.76Å; D28-R40 IonicContact OD1-NH2 2.71Å; D28-R40 PolarHBondContact OD1-NH2 3.46Å; D28-R40 IonicContact OD2-NE 3.69Å |
| 29 | V | 89.1 | Confident | 87.2 | Confident | 58 Ų | 58 | 64 Ų | 64 | 35% | 0.352 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 124.5 | 173.7 | 177 | 0 | 0 | 0 | 0 | 108.1 | G31 R32 V37 R39 | V29-G31 WeakPolarHBondContact CG1-O 3.43Å; V29-R32 HydrophobicContact CG1-CG 3.89Å; V29-V37 HydrophobicContact CB-CG2 4.46Å; V29-V37 HydrophobicContact CG1-CG2 3.64Å; V29-V37 HydrophobicContact CG2-CG2 4.01Å; V29-R39 HydrophobicContact CG2-CG 4.03Å |
| 30 | I | 85.4 | Confident | 87.6 | Confident | 83 Ų | 83 | 62.7 Ų | 62.7 | 43% | 0.426 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -16.5 | -179.6 | 60.2 | 176 | 0 | 0 | 0 | 112.5 | D28 V38 R40 A51 L109 | D28-I30 WeakPolarHBondContact OD2-CG2 3.4Å; I30-V38 HydrophobicContact CD1-CG1 3.95Å; I30-V38 HydrophobicContact CG1-CB 4.2Å; I30-V38 HydrophobicContact CG1-CG1 3.77Å; I30-V38 WeakPolarHBondContact CG1-O 3.17Å; I30-V38 PolarHBondContact N-O 2.67Å; I30-R40 HydrophobicContact CG2-CB 4.25Å; I30-A51 HydrophobicContact CD1-CB 4.02Å; I30-L109 HydrophobicContact CD1-CD1 3.9Å |
| 31 | G | 80.7 | Confident | 87.7 | Confident | 21 Ų | 21 | 62.7 Ų | 62.7 | 22% | 0.216 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 156.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V29 V38 | V29-G31 WeakPolarHBondContact CG1-O 3.43Å; G31-V38 PolarHBondContact N-O 3.02Å; G31-V38 VanDerWaalsContact N-O 3.09Å; G31-V38 PolarHBondContact O-N 3.4Å |
| 32 | R | 79.5 | Confident | 88 | Confident | 205 Ų | 205 | 59 Ų | 59 | 77% | 0.774 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 126.6 | 175.3 | -67.4 | -178 | 179.8 | -86.6 | 0.6 | 109 | V29 V37 | V29-R32 HydrophobicContact CG1-CG 3.89Å; R32-V37 HydrophobicContact CG-CG2 4.36Å |
| 33 | G | 70.2 | Confident | 88.1 | Confident | 41 Ų | 41 | 54.7 Ų | 54.7 | 42% | 0.423 | 29% | 0.289 | S | S | . | . | trans | -106.5 | -172.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S36 | G33-S36 PolarHBondContact N-O 3.09Š| ||
| 34 | V | 68.9 | Low | 88.1 | Confident | 103 Ų | 103 | 57.4 Ų | 57.4 | 62% | 0.624 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -63.7 | -50.9 | -179.9 | 175 | 0 | 0 | 0 | 0 | 111.7 | E366 | V34-E366 VanDerWaalsContact CG2-CD 3.49Å; V34-E366 WeakPolarHBondContact CG2-OE1 3.22Å |
| 35 | S | 72.8 | Confident | 88.1 | Confident | 50 Ų | 50 | 61.6 Ų | 61.6 | 35% | 0.35 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -117.7 | 17.2 | -178.9 | 54.2 | 0 | 0 | 0 | 0 | 113 | E56 | S35-E56 PolarHBondContact O-N 3.29Å; S35-E56 VanDerWaalsContact O-N 3.08Å |
| 36 | S | 83.4 | Confident | 88.2 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 20% | 0.196 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 152.4 | -177.8 | 69.5 | 0 | 0 | 0 | 0 | 114.3 | G33 I54 | G33-S36 PolarHBondContact N-O 3.09Å; S36-I54 CarbonylContact C-O 3.6Å; S36-I54 WeakPolarHBondContact CA-O 3.21Å; S36-I54 WeakPolarHBondContact CB-O 3.36Å |
| 37 | V | 87.3 | Confident | 88.3 | Confident | 32 Ų | 32 | 64.9 Ų | 64.9 | 19% | 0.194 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 131.9 | 170.9 | 63.7 | 0 | 0 | 0 | 0 | 109.8 | V29 R32 R39 I54 | V29-V37 HydrophobicContact CB-CG2 4.46Å; V29-V37 HydrophobicContact CG1-CG2 3.64Å; V29-V37 HydrophobicContact CG2-CG2 4.01Å; R32-V37 HydrophobicContact CG-CG2 4.36Å; V37-R39 HydrophobicContact CG2-CG 4.2Å; V37-I54 HydrophobicContact CG1-CB 3.89Å; V37-I54 HydrophobicContact CG1-CD1 4.28Å; V37-I54 HydrophobicContact CG1-CG1 4.42Å; V37-I54 PolarHBondContact N-O 2.84Å; V37-I54 PolarHBondContact O-N 2.83Å |
| 38 | V | 90.3 | Very high | 88.4 | Confident | 40 Ų | 40 | 64.3 Ų | 64.3 | 24% | 0.242 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124.9 | 175.5 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | I30 G31 A51 V52 K53 | I30-V38 HydrophobicContact CD1-CG1 3.95Å; I30-V38 HydrophobicContact CG1-CB 4.2Å; I30-V38 HydrophobicContact CG1-CG1 3.77Å; I30-V38 WeakPolarHBondContact CG1-O 3.17Å; I30-V38 PolarHBondContact N-O 2.67Å; G31-V38 PolarHBondContact N-O 3.02Å; G31-V38 VanDerWaalsContact N-O 3.09Å; G31-V38 PolarHBondContact O-N 3.4Å; V38-A51 HydrophobicContact CG1-CB 4.28Å; V38-V52 CarbonylContact C-O 3.58Å; V38-V52 VanDerWaalsContact CA-O 3.29Å; V38-V52 WeakPolarHBondContact CA-O 3.39Å; V38-K53 HydrophobicContact CG2-CB 4.27Å; V38-K53 HydrophobicContact CG2-CG 4.2Å |
| 39 | R | 93.1 | Very high | 88.8 | Confident | 75 Ų | 75 | 63.5 Ų | 63.5 | 28% | 0.283 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 146.9 | 179.2 | -60.7 | -178.7 | 72.9 | 170 | 1 | 110.3 | K27 D28 V29 V37 A51 V52 | K27-R39 VanDerWaalsContact O-CZ 3.25Å; K27-R39 PolarHBondContact O-NE 2.89Å; K27-R39 PolarHBondContact O-NH2 3.36Å; D28-R39 CarbonylContact O-C 3.58Å; D28-R39 VanDerWaalsContact O-CA 3.28Å; D28-R39 WeakPolarHBondContact O-CA 3.42Å; D28-R39 WeakPolarHBondContact O-CB 3.35Å; V29-R39 HydrophobicContact CG2-CG 4.03Å; V37-R39 HydrophobicContact CG2-CG 4.2Å; R39-A51 CarbonylContact O-C 3.39Å; R39-A51 WeakPolarHBondContact O-CA 3.45Å; R39-V52 HydrophobicContact CB-CG1 3.99Å; R39-V52 PolarHBondContact N-O 3.25Å; R39-V52 PolarHBondContact O-N 3.17Å |
| 40 | R | 95.6 | Very high | 89.2 | Confident | 57 Ų | 57 | 62.3 Ų | 62.3 | 22% | 0.215 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 140.1 | 161.2 | -177.1 | 175.5 | 61.3 | 92.1 | 1.3 | 108.5 | K27 D28 I30 E49 F50 L109 | K27-R40 WeakPolarHBondContact CA-O 3.12Å; K27-R40 HydrophobicContact CB-CB 4.37Å; K27-R40 WeakPolarHBondContact CB-O 3.42Å; K27-R40 PolarHBondContact N-O 3.39Å; D28-R40 PolarHBondContact O-N 3.33Å; D28-R40 IonicContact OD1-CZ 2.67Å; D28-R40 IonicContact OD1-NE 2.68Å; D28-R40 PolarHBondContact OD1-NE 2.76Å; D28-R40 IonicContact OD1-NH2 2.71Å; D28-R40 PolarHBondContact OD1-NH2 3.46Å; D28-R40 IonicContact OD2-NE 3.69Å; I30-R40 HydrophobicContact CG2-CB 4.25Å; R40-E49 IonicContact CZ-OE1 3.42Å; R40-E49 IonicContact NH1-OE1 2.93Å; R40-E49 PolarHBondContact NH1-OE1 2.88Å; R40-F50 CarbonylContact C-O 3.52Å; R40-F50 WeakPolarHBondContact CA-O 3.33Å; R40-L109 HydrophobicContact CG-CD1 4.46Å; R40-L109 HydrophobicContact CG-CD2 4.05Å |
| 41 | C | 95.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 160.2 | 172.4 | 66.1 | 0 | 0 | 0 | 0 | 111.2 | D25 E49 F50 V52 | D25-C41 WeakPolarHBondContact O-CA 3.34Å; C41-E49 WeakPolarHBondContact O-CA 3.3Å; C41-F50 PolarHBondContact N-O 2.98Å; C41-F50 PolarHBondContact O-N 2.96Å; C41-V52 HydrophobicContact CB-CG1 4.04Å |
| 42 | V | 96.9 | Very high | 90.4 | Very high | 27 Ų | 27 | 57.8 Ų | 57.8 | 16% | 0.164 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 126.7 | -179.6 | -176.1 | 0 | 0 | 0 | 0 | 109 | Y24 D25 K27 R44 C48 E49 | Y24-V42 CarbonylContact C-O 3.47Å; Y24-V42 WeakPolarHBondContact CA-O 3.22Å; D25-V42 PolarHBondContact N-O 3.37Å; D25-V42 PolarHBondContact O-N 3.41Å; K27-V42 HydrophobicContact CG-CG2 4.1Å; V42-R44 PolarHBondContact O-N 3.2Å; V42-C48 CarbonylContact C-O 3.57Å; V42-C48 WeakPolarHBondContact CA-O 3.34Å; V42-E49 HydrophobicContact CG2-CG 4.3Å |
| 43 | H | 97.3 | Very high | 91 | Very high | 31 Ų | 31 | 49.6 Ų | 49.6 | 14% | 0.144 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 118.1 | 173.1 | -177.5 | -95.2 | 0 | 0 | 0 | 109.7 | K23 Y24 A45 T46 G47 C48 F50 | K23-H43 WeakPolarHBondContact CE-NE2 3.27Å; K23-H43 WeakPolarHBondContact CG-NE2 3.19Å; Y24-H43 HydrophobicContact CD1-CB 4.03Å; Y24-H43 HydrophobicContact CE1-CB 3.74Å; Y24-H43 AromaticContact CE1-CD2 3.69Å; Y24-H43 AromaticContact CZ-CD2 3.78Å; H43-A45 VanDerWaalsContact C-N 3.32Å; H43-A45 PolarHBondContact O-N 3.39Å; H43-T46 WeakPolarHBondContact CB-OG1 3.43Å; H43-T46 PolarHBondContact ND1-N 3.22Å; H43-T46 PolarHBondContact ND1-OG1 2.76Å; H43-T46 PolarHBondContact O-N 3.36Å; H43-G47 WeakPolarHBondContact O-CA 3.46Å; H43-G47 PolarHBondContact O-N 3.5Å; H43-C48 PolarHBondContact N-O 3.37Å; H43-F50 HydrophobicContact CB-CD2 4.15Å; H43-F50 HydrophobicContact CB-CE2 3.7Å |
| 44 | R | 96.6 | Very high | 91.9 | Very high | 130 Ų | 130 | 48.6 Ų | 48.6 | 49% | 0.491 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -36.8 | -166.9 | -69.3 | -172.8 | -175.6 | -75.3 | -8.4 | 113.6 | Y21 Q22 K23 Y24 D25 V42 | Y21-R44 PolarHBondContact O-NE 3.4Å; Y21-R44 PolarHBondContact O-NH2 3.47Å; Q22-R44 WeakPolarHBondContact O-CD 3.46Å; K23-R44 PolarHBondContact O-N 2.72Å; Y24-R44 PolarHBondContact O-NH2 2.87Å; D25-R44 HydrophobicContact CB-CG 4.29Å; D25-R44 IonicContact OD1-CZ 3.94Å; D25-R44 IonicContact OD1-NH1 3.18Å; D25-R44 PolarHBondContact OD1-NH1 2.77Å; D25-R44 IonicContact OD1-NH2 2.87Å; D25-R44 PolarHBondContact OD1-NH2 3.26Å; V42-R44 PolarHBondContact O-N 3.2Å |
| 45 | A | 96.5 | Very high | 92.7 | Very high | 90 Ų | 90 | 44.7 Ų | 44.7 | 74% | 0.744 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -29.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | H43 | H43-A45 VanDerWaalsContact C-N 3.32Å; H43-A45 PolarHBondContact O-N 3.39Å |
| 46 | T | 96.8 | Very high | 93.1 | Very high | 89 Ų | 89 | 46.8 Ų | 46.8 | 55% | 0.546 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -19.8 | -173.9 | 59.3 | 0 | 0 | 0 | 0 | 113.2 | H43 C48 | H43-T46 WeakPolarHBondContact CB-OG1 3.43Å; H43-T46 PolarHBondContact ND1-N 3.22Å; H43-T46 PolarHBondContact ND1-OG1 2.76Å; H43-T46 PolarHBondContact O-N 3.36Å; T46-C48 PolarHBondContact O-N 2.98Å; T46-C48 PolarHBondContact OG1-N 2.89Å |
| 47 | G | 95.4 | Very high | 92.5 | Very high | 49 Ų | 49 | 46 Ų | 46 | 51% | 0.505 | 25% | 0.253 | S | S | . | . | trans | 73.2 | 2.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H43 | H43-G47 WeakPolarHBondContact O-CA 3.46Å; H43-G47 PolarHBondContact O-N 3.5Å | ||
| 48 | C | 96.1 | Very high | 91.5 | Very high | 64 Ų | 64 | 47.3 Ų | 47.3 | 43% | 0.432 | 26% | 0.262 | S | S | . | . | trans | -68.3 | 143.3 | 177.7 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | V42 H43 T46 F50 | V42-C48 CarbonylContact C-O 3.57Å; V42-C48 WeakPolarHBondContact CA-O 3.34Å; H43-C48 PolarHBondContact N-O 3.37Å; T46-C48 PolarHBondContact O-N 2.98Å; T46-C48 PolarHBondContact OG1-N 2.89Å; C48-F50 HydrophobicContact CB-CE2 3.61Å; C48-F50 HydrophobicContact CB-CZ 3.91Å; C48-F50 WeakPolarHBondContact O-CD2 3.49Å | ||
| 49 | E | 96.6 | Very high | 90 | Very high | 60 Ų | 60 | 48 Ų | 48 | 28% | 0.28 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 142.3 | -178.6 | -56.1 | -167.9 | 114.1 | 0 | 0 | 111.8 | R40 C41 V42 L109 R111 | R40-E49 IonicContact CZ-OE1 3.42Å; R40-E49 IonicContact NH1-OE1 2.93Å; R40-E49 PolarHBondContact NH1-OE1 2.88Å; C41-E49 WeakPolarHBondContact O-CA 3.3Å; V42-E49 HydrophobicContact CG2-CG 4.3Å; E49-L109 HydrophobicContact CB-CD2 3.85Å; E49-R111 IonicContact OE2-CZ 3.85Å; E49-R111 IonicContact OE2-NH1 3.79Å; E49-R111 PolarHBondContact OE2-NH1 2.97Å; E49-R111 IonicContact OE2-NH2 3.81Å; E49-R111 PolarHBondContact OE2-NH2 3.07Å |
| 50 | F | 97.1 | Very high | 88.4 | Confident | 33 Ų | 33 | 49 Ų | 49 | 15% | 0.145 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 173.7 | -176.9 | -62.1 | -81.2 | 0 | 0 | 0 | 110.3 | Y24 R40 C41 H43 C48 I94 V106 F107 | Y24-F50 HydrophobicContact CD1-CD2 4.43Å; Y24-F50 AromaticContact CE1-CD2 3.78Å; Y24-F50 HydrophobicContact CE1-CD2 3.78Å; Y24-F50 HydrophobicContact CE1-CE2 4.18Å; Y24-F50 HydrophobicContact CE1-CG 4.42Å; R40-F50 CarbonylContact C-O 3.52Å; R40-F50 WeakPolarHBondContact CA-O 3.33Å; C41-F50 PolarHBondContact N-O 2.98Å; C41-F50 PolarHBondContact O-N 2.96Å; H43-F50 HydrophobicContact CB-CD2 4.15Å; H43-F50 HydrophobicContact CB-CE2 3.7Å; C48-F50 HydrophobicContact CB-CE2 3.61Å; C48-F50 HydrophobicContact CB-CZ 3.91Å; C48-F50 WeakPolarHBondContact O-CD2 3.49Å; F50-I94 HydrophobicContact CD1-CG1 4.05Å; F50-I94 HydrophobicContact CE1-CG1 4.06Å; F50-I94 HydrophobicContact CE1-CG2 4.13Å; F50-V106 HydrophobicContact CB-CG1 3.71Å; F50-V106 HydrophobicContact CD1-CG1 4.36Å; F50-V106 HydrophobicContact CG-CG1 4.04Å; F50-F107 WeakPolarHBondContact CB-O 3.43Å |
| 51 | A | 96.1 | Very high | 86.8 | Confident | 10 Ų | 10 | 58.7 Ų | 58.7 | 8% | 0.083 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 136.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | I30 V38 R39 V106 F107 L109 | I30-A51 HydrophobicContact CD1-CB 4.02Å; V38-A51 HydrophobicContact CG1-CB 4.28Å; R39-A51 CarbonylContact O-C 3.39Å; R39-A51 WeakPolarHBondContact O-CA 3.45Å; A51-V106 CarbonylContact O-C 3.6Å; A51-V106 WeakPolarHBondContact O-CA 3.43Å; A51-F107 PolarHBondContact N-O 3.4Å; A51-F107 PolarHBondContact O-N 2.9Å; A51-L109 HydrophobicContact CB-CD1 4.18Å |
| 52 | V | 95.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122.4 | 171.4 | 61 | 0 | 0 | 0 | 0 | 109.6 | F20 V38 R39 C41 I54 F104 L105 V106 | F20-V52 HydrophobicContact CD2-CG2 4.42Å; F20-V52 HydrophobicContact CE2-CB 4.05Å; F20-V52 HydrophobicContact CE2-CG1 4.31Å; F20-V52 HydrophobicContact CE2-CG2 3.63Å; F20-V52 HydrophobicContact CZ-CB 4.14Å; F20-V52 HydrophobicContact CZ-CG1 3.87Å; F20-V52 HydrophobicContact CZ-CG2 3.9Å; V38-V52 CarbonylContact C-O 3.58Å; V38-V52 VanDerWaalsContact CA-O 3.29Å; V38-V52 WeakPolarHBondContact CA-O 3.39Å; R39-V52 HydrophobicContact CB-CG1 3.99Å; R39-V52 PolarHBondContact N-O 3.25Å; R39-V52 PolarHBondContact O-N 3.17Å; C41-V52 HydrophobicContact CB-CG1 4.04Å; V52-I54 HydrophobicContact CG1-CD1 4.36Å; V52-I54 HydrophobicContact CG1-CG1 4.24Å; V52-I54 HydrophobicContact CG2-CG1 3.94Å; V52-F104 HydrophobicContact CG2-CB 4.15Å; V52-F104 HydrophobicContact CG2-CD1 4.36Å; V52-L105 CarbonylContact C-O 3.43Å; V52-L105 VanDerWaalsContact CA-O 3.3Å; V52-L105 WeakPolarHBondContact CA-O 3.33Å; V52-V106 HydrophobicContact CG2-CG2 4.28Å |
| 53 | K | 91.9 | Very high | 84.7 | Confident | 32 Ų | 32 | 61.6 Ų | 61.6 | 14% | 0.139 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 115 | 166.7 | -174.6 | -179.8 | 177.1 | -174.3 | 0 | 106.9 | V38 M55 E77 L105 F107 D171 | V38-K53 HydrophobicContact CG2-CB 4.27Å; V38-K53 HydrophobicContact CG2-CG 4.2Å; K53-M55 HydrophobicContact CD-CG 4.45Å; K53-M55 HydrophobicContact CD-SD 4.24Å; K53-M55 HydrophobicContact CG-CG 4.1Å; K53-M55 HydrophobicContact CG-SD 4.49Å; K53-E77 IonicContact NZ-OE1 2.68Å; K53-E77 PolarHBondContact NZ-OE1 3.38Å; K53-E77 IonicContact NZ-OE2 3.26Å; K53-L105 HydrophobicContact CB-CB 4.39Å; K53-L105 PolarHBondContact N-O 3.48Å; K53-L105 PolarHBondContact O-N 3.12Å; K53-F107 HydrophobicContact CB-CD2 4.46Å; K53-F107 HydrophobicContact CB-CE2 3.95Å; K53-D171 IonicContact NZ-OD1 2.68Å |
| 54 | I | 90.1 | Very high | 83.9 | Confident | 20 Ų | 20 | 65 Ų | 65 | 10% | 0.103 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 114.1 | 177.7 | -50.4 | 175.3 | 0 | 0 | 0 | 106.4 | S36 V37 V52 M103 F104 | S36-I54 CarbonylContact C-O 3.6Å; S36-I54 WeakPolarHBondContact CA-O 3.21Å; S36-I54 WeakPolarHBondContact CB-O 3.36Å; V37-I54 HydrophobicContact CG1-CB 3.89Å; V37-I54 HydrophobicContact CG1-CD1 4.28Å; V37-I54 HydrophobicContact CG1-CG1 4.42Å; V37-I54 PolarHBondContact N-O 2.84Å; V37-I54 PolarHBondContact O-N 2.83Å; V52-I54 HydrophobicContact CG1-CD1 4.36Å; V52-I54 HydrophobicContact CG1-CG1 4.24Å; V52-I54 HydrophobicContact CG2-CG1 3.94Å; I54-M103 CarbonylContact C-O 3.56Å; I54-M103 WeakPolarHBondContact CA-O 3.34Å; I54-F104 HydrophobicContact CB-CD1 4.43Å; I54-F104 HydrophobicContact CD1-CD1 4.27Å; I54-F104 HydrophobicContact CD1-CE1 4.15Å; I54-F104 HydrophobicContact CG1-CD1 3.85Å; I54-F104 HydrophobicContact CG1-CE1 4.12Å; I54-F104 HydrophobicContact CG2-CD1 4.04Å; I54-F104 HydrophobicContact CG2-CE1 3.76Å; I54-F104 HydrophobicContact CG2-CZ 4.31Å |
| 55 | M | 85.5 | Confident | 83.2 | Confident | 22 Ų | 22 | 64.8 Ų | 64.8 | 11% | 0.108 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 132 | 179.4 | -60.4 | 174.9 | 64.2 | 0 | 0 | 108.8 | K53 T74 F102 M103 L105 | K53-M55 HydrophobicContact CD-CG 4.45Å; K53-M55 HydrophobicContact CD-SD 4.24Å; K53-M55 HydrophobicContact CG-CG 4.1Å; K53-M55 HydrophobicContact CG-SD 4.49Å; M55-T74 HydrophobicContact CE-CG2 3.9Å; M55-T74 HydrophobicContact SD-CG2 4.05Å; M55-F102 WeakPolarHBondContact O-CA 3.28Å; M55-M103 HydrophobicContact CB-CB 4.36Å; M55-M103 PolarHBondContact N-O 3.39Å; M55-M103 PolarHBondContact O-N 3.5Å; M55-L105 HydrophobicContact SD-CD1 4.2Å |
| 56 | E | 80.9 | Confident | 82.3 | Confident | 93 Ų | 93 | 64.6 Ų | 64.6 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 110.6 | 175.8 | -170.1 | 171.7 | -162.3 | 0 | 0 | 108.3 | S35 A59 F102 | S35-E56 PolarHBondContact O-N 3.29Å; S35-E56 VanDerWaalsContact O-N 3.08Å; E56-A59 HydrophobicContact CB-CB 3.92Å; E56-A59 VanDerWaalsContact CD-CB 3.44Å; E56-A59 HydrophobicContact CG-CB 3.52Å; E56-A59 WeakPolarHBondContact OE2-CB 3.41Å; E56-F102 HydrophobicContact CB-CD1 4.16Å; E56-F102 HydrophobicContact CB-CE1 3.99Å; E56-F102 HydrophobicContact CG-CD1 4.1Å; E56-F102 HydrophobicContact CG-CE1 3.55Å; E56-F102 HydrophobicContact CG-CZ 4.22Å |
| 57 | V | 71.1 | Confident | 81.5 | Confident | 11 Ų | 11 | 62.3 Ų | 62.3 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -78.8 | -25.8 | -173.7 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | L67 V70 R71 S101 | V57-L67 HydrophobicContact CG1-CD1 3.73Å; V57-L67 WeakPolarHBondContact O-CD1 3.31Å; V57-V70 HydrophobicContact CG1-CG1 4.46Å; V57-R71 HydrophobicContact CG1-CG 3.83Å; V57-S101 PolarHBondContact N-O 2.8Å |
| 58 | T | 67.4 | Low | 80.8 | Confident | 61 Ų | 61 | 64.3 Ų | 64.3 | 37% | 0.374 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -108.5 | 7.6 | -173.8 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | E60 L67 | T58-E60 PolarHBondContact O-N 3.27Å; T58-L67 HydrophobicContact CG2-CD1 4.29Å |
| 59 | A | 57.7 | Low | 80.2 | Confident | 55 Ų | 55 | 67.7 Ų | 67.7 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -66.9 | -25.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E56 | E56-A59 HydrophobicContact CB-CB 3.92Å; E56-A59 VanDerWaalsContact CD-CB 3.44Å; E56-A59 HydrophobicContact CG-CB 3.52Å; E56-A59 WeakPolarHBondContact OE2-CB 3.41Å |
| 60 | E | 59.9 | Low | 79.4 | Confident | 95 Ų | 95 | 67.4 Ų | 67.4 | 44% | 0.444 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -97.8 | 143.6 | -177.1 | -67.9 | -179.9 | -174.3 | 0 | 0 | 110.3 | T58 L62 | T58-E60 PolarHBondContact O-N 3.27Å; E60-L62 HydrophobicContact CB-CD1 3.76Å; E60-L62 HydrophobicContact CB-CD2 4.02Å; E60-L62 HydrophobicContact CB-CG 3.48Å; E60-L62 VanDerWaalsContact CB-CG 3.48Å; E60-L62 PolarHBondContact O-N 3.45Å |
| 61 | R | 62.8 | Low | 78.6 | Confident | 260 Ų | 260 | 68 Ų | 68 | 98% | 0.981 | 34% | 0.34 | S | S | * | . | trans | -72.3 | 53.1 | 174.6 | -65.2 | -179.3 | 179.5 | -178.5 | -0.4 | 111 | ||||
| 62 | L | 68.4 | Low | 78.1 | Confident | 48 Ų | 48 | 71.8 Ų | 71.8 | 25% | 0.251 | 36% | 0.356 | S | S | . | . | trans | -78.2 | 147.5 | -175.8 | -65.9 | 174.9 | 0 | 0 | 0 | 110.2 | E60 Q66 V70 | E60-L62 HydrophobicContact CB-CD1 3.76Å; E60-L62 HydrophobicContact CB-CD2 4.02Å; E60-L62 HydrophobicContact CB-CG 3.48Å; E60-L62 VanDerWaalsContact CB-CG 3.48Å; E60-L62 PolarHBondContact O-N 3.45Å; L62-Q66 HydrophobicContact CB-CB 3.82Å; L62-Q66 HydrophobicContact CD1-CB 4.48Å; L62-Q66 HydrophobicContact CD2-CB 3.99Å; L62-Q66 HydrophobicContact CG-CB 4.27Å; L62-V70 HydrophobicContact CD1-CG2 4.07Å | ||
| 63 | S | 78.2 | Confident | 77.6 | Confident | 40 Ų | 40 | 73.2 Ų | 73.2 | 28% | 0.28 | 37% | 0.368 | S | S | . | . | trans | -65.5 | 160.3 | 167.2 | 80.5 | 0 | 0 | 0 | 0 | 110.1 | E65 Q66 L67 | S63-E65 WeakPolarHBondContact CB-OE2 3.3Å; S63-E65 PolarHBondContact O-N 3.14Å; S63-E65 PolarHBondContact OG-N 3.35Å; S63-E65 PolarHBondContact OG-OE2 3.05Å; S63-Q66 PolarHBondContact O-N 3.29Å; S63-Q66 VanDerWaalsContact O-N 3.16Å; S63-Q66 PolarHBondContact OG-N 3.43Å; S63-L67 PolarHBondContact O-N 3.12Å | ||
| 64 | P | 80.5 | Confident | 77.2 | Confident | 104 Ų | 104 | 71.9 Ų | 71.9 | 68% | 0.675 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -54.6 | -34.1 | 175.5 | -25.8 | 35.4 | 0 | 0 | 0 | 113.3 | E68 | P64-E68 PolarHBondContact O-N 3.22Å |
| 65 | E | 82.6 | Confident | 77 | Confident | 125 Ų | 125 | 74.4 Ų | 74.4 | 58% | 0.584 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.6 | -46.3 | 177.2 | -55.1 | 83.4 | -169.4 | 0 | 0 | 111.7 | S63 L67 E68 E69 | S63-E65 WeakPolarHBondContact CB-OE2 3.3Å; S63-E65 PolarHBondContact O-N 3.14Å; S63-E65 PolarHBondContact OG-N 3.35Å; S63-E65 PolarHBondContact OG-OE2 3.05Å; E65-L67 VanDerWaalsContact C-N 3.28Å; E65-L67 PolarHBondContact O-N 2.97Å; E65-E68 PolarHBondContact O-N 3.46Å; E65-E69 PolarHBondContact O-N 3.21Å |
| 66 | Q | 78.8 | Confident | 77.2 | Confident | 86 Ų | 86 | 78 Ų | 78 | 40% | 0.402 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64 | -35 | 177.9 | -69.6 | 176.1 | -46.8 | 0 | 0 | 112.1 | L62 S63 E68 E69 V70 | L62-Q66 HydrophobicContact CB-CB 3.82Å; L62-Q66 HydrophobicContact CD1-CB 4.48Å; L62-Q66 HydrophobicContact CD2-CB 3.99Å; L62-Q66 HydrophobicContact CG-CB 4.27Å; S63-Q66 PolarHBondContact O-N 3.29Å; S63-Q66 VanDerWaalsContact O-N 3.16Å; S63-Q66 PolarHBondContact OG-N 3.43Å; Q66-E68 VanDerWaalsContact C-N 3.33Å; Q66-E69 PolarHBondContact O-N 3.45Å; Q66-V70 WeakPolarHBondContact O-CG2 3.31Å; Q66-V70 PolarHBondContact O-N 2.99Å; Q66-V70 VanDerWaalsContact O-N 3.07Å |
| 67 | L | 78.1 | Confident | 77.7 | Confident | 41 Ų | 41 | 74 Ų | 74 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 175.3 | -172.5 | 66.2 | 0 | 0 | 0 | 111.6 | V57 T58 S63 E65 V70 R71 | V57-L67 HydrophobicContact CG1-CD1 3.73Å; V57-L67 WeakPolarHBondContact O-CD1 3.31Å; T58-L67 HydrophobicContact CG2-CD1 4.29Å; S63-L67 PolarHBondContact O-N 3.12Å; E65-L67 VanDerWaalsContact C-N 3.28Å; E65-L67 PolarHBondContact O-N 2.97Å; L67-V70 PolarHBondContact O-N 3.11Å; L67-R71 WeakPolarHBondContact O-CG 3.4Å; L67-R71 PolarHBondContact O-N 3.27Å |
| 68 | E | 82.4 | Confident | 78.6 | Confident | 90 Ų | 90 | 73.8 Ų | 73.8 | 42% | 0.421 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.3 | -37.6 | 176.9 | -167.8 | 59.4 | -157.6 | 0 | 0 | 111.6 | P64 E65 Q66 V70 R71 E72 | P64-E68 PolarHBondContact O-N 3.22Å; E65-E68 PolarHBondContact O-N 3.46Å; Q66-E68 VanDerWaalsContact C-N 3.33Å; E68-V70 PolarHBondContact O-N 2.9Å; E68-R71 PolarHBondContact O-N 3.29Å; E68-E72 WeakPolarHBondContact O-CB 3.3Å; E68-E72 PolarHBondContact O-N 3.14Å |
| 69 | E | 82.9 | Confident | 79.9 | Confident | 135 Ų | 135 | 75.5 Ų | 75.5 | 63% | 0.631 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.2 | -43.8 | 173.6 | -72 | 176.5 | 179.2 | 0 | 0 | 112.3 | E65 Q66 E72 A73 | E65-E69 PolarHBondContact O-N 3.21Å; Q66-E69 PolarHBondContact O-N 3.45Å; E69-E72 PolarHBondContact O-N 2.96Å; E69-A73 WeakPolarHBondContact O-CB 3.44Å; E69-A73 PolarHBondContact O-N 3.09Å |
| 70 | V | 80.3 | Confident | 81.8 | Confident | 54 Ų | 54 | 73 Ų | 73 | 33% | 0.327 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 176.3 | 171.8 | 0 | 0 | 0 | 0 | 111 | V57 L62 Q66 L67 E68 A73 T74 | V57-V70 HydrophobicContact CG1-CG1 4.46Å; L62-V70 HydrophobicContact CD1-CG2 4.07Å; Q66-V70 WeakPolarHBondContact O-CG2 3.31Å; Q66-V70 PolarHBondContact O-N 2.99Å; Q66-V70 VanDerWaalsContact O-N 3.07Å; L67-V70 PolarHBondContact O-N 3.11Å; E68-V70 PolarHBondContact O-N 2.9Å; V70-A73 PolarHBondContact O-N 3.13Å; V70-T74 WeakPolarHBondContact O-CB 3.35Å; V70-T74 PolarHBondContact O-N 3.05Å; V70-T74 PolarHBondContact O-OG1 3.48Å |
| 71 | R | 80.2 | Confident | 83.5 | Confident | 46 Ų | 46 | 68.5 Ų | 68.5 | 17% | 0.174 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62 | -48.4 | 176.3 | -74.8 | 172.6 | 175.3 | -159.5 | -5.1 | 111.4 | V57 L67 E68 A73 T74 R75 S100 | V57-R71 HydrophobicContact CG1-CG 3.83Å; L67-R71 WeakPolarHBondContact O-CG 3.4Å; L67-R71 PolarHBondContact O-N 3.27Å; E68-R71 PolarHBondContact O-N 3.29Å; R71-A73 PolarHBondContact O-N 3.42Å; R71-T74 PolarHBondContact O-N 2.78Å; R71-R75 WeakPolarHBondContact O-CG 3.47Å; R71-R75 PolarHBondContact O-N 2.72Å; R71-S100 PolarHBondContact NH2-O 3.22Å |
| 72 | E | 85.4 | Confident | 85 | Confident | 89 Ų | 89 | 63 Ų | 63 | 42% | 0.416 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 179.3 | -174.4 | 54.9 | -149.2 | 0 | 0 | 111.7 | E68 E69 T74 R75 R76 | E68-E72 WeakPolarHBondContact O-CB 3.3Å; E68-E72 PolarHBondContact O-N 3.14Å; E69-E72 PolarHBondContact O-N 2.96Å; E72-T74 VanDerWaalsContact C-N 3.31Å; E72-T74 PolarHBondContact O-N 2.84Å; E72-R75 PolarHBondContact O-N 2.68Å; E72-R76 WeakPolarHBondContact O-CB 3.11Å; E72-R76 WeakPolarHBondContact O-CG 3.45Å; E72-R76 PolarHBondContact O-N 2.98Å |
| 73 | A | 84.1 | Confident | 86.4 | Confident | 30 Ų | 30 | 64.6 Ų | 64.6 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E69 V70 R71 R76 E77 | E69-A73 WeakPolarHBondContact O-CB 3.44Å; E69-A73 PolarHBondContact O-N 3.09Å; V70-A73 PolarHBondContact O-N 3.13Å; R71-A73 PolarHBondContact O-N 3.42Å; A73-R76 PolarHBondContact O-N 3.07Å; A73-E77 PolarHBondContact O-N 2.79Å |
| 74 | T | 83.3 | Confident | 87.3 | Confident | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.2 | -38 | 179.8 | -44.2 | 0 | 0 | 0 | 0 | 111.8 | M55 V70 R71 E72 R76 E77 T78 M103 | M55-T74 HydrophobicContact CE-CG2 3.9Å; M55-T74 HydrophobicContact SD-CG2 4.05Å; V70-T74 WeakPolarHBondContact O-CB 3.35Å; V70-T74 PolarHBondContact O-N 3.05Å; V70-T74 PolarHBondContact O-OG1 3.48Å; R71-T74 PolarHBondContact O-N 2.78Å; E72-T74 VanDerWaalsContact C-N 3.31Å; E72-T74 PolarHBondContact O-N 2.84Å; T74-R76 PolarHBondContact O-N 2.87Å; T74-E77 PolarHBondContact O-N 3.15Å; T74-T78 WeakPolarHBondContact O-CG2 3.33Å; T74-T78 PolarHBondContact O-N 2.91Å; T74-T78 PolarHBondContact O-OG1 3.05Å; T74-M103 HydrophobicContact CG2-CE 3.47Å; T74-M103 VanDerWaalsContact CG2-CE 3.47Å; T74-M103 HydrophobicContact CG2-SD 3.21Å; T74-M103 WeakPolarHBondContact CG2-SD 3.47Å |
| 75 | R | 86.4 | Confident | 87.9 | Confident | 72 Ų | 72 | 60 Ų | 60 | 27% | 0.272 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 173.1 | -75.5 | 176.9 | 179.3 | 168.1 | 1.3 | 111.6 | E10 R71 E72 T78 H79 E98 | E10-R75 IonicContact OE1-CZ 3.92Å; E10-R75 IonicContact OE1-NH2 2.77Å; E10-R75 PolarHBondContact OE1-NH2 3.45Å; R71-R75 WeakPolarHBondContact O-CG 3.47Å; R71-R75 PolarHBondContact O-N 2.72Å; E72-R75 PolarHBondContact O-N 2.68Å; R75-T78 PolarHBondContact O-N 2.89Å; R75-T78 PolarHBondContact O-OG1 2.82Å; R75-H79 WeakPolarHBondContact O-CB 3.34Å; R75-H79 PolarHBondContact O-N 2.79Å; R75-E98 IonicContact CZ-OE1 3.56Å; R75-E98 IonicContact NE-OE1 3.11Å; R75-E98 PolarHBondContact NE-OE1 3.04Å; R75-E98 VanDerWaalsContact NE-OE1 3.11Å; R75-E98 IonicContact NH2-OE1 3.05Å; R75-E98 PolarHBondContact NH2-OE1 3.48Å |
| 76 | R | 89.8 | Confident | 88.4 | Confident | 99 Ų | 99 | 57.1 Ų | 57.1 | 37% | 0.374 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 172.3 | -74.8 | -175.2 | -70.3 | 114.8 | -8.2 | 112.3 | E72 A73 T74 T78 H79 I80 | E72-R76 WeakPolarHBondContact O-CB 3.11Å; E72-R76 WeakPolarHBondContact O-CG 3.45Å; E72-R76 PolarHBondContact O-N 2.98Å; A73-R76 PolarHBondContact O-N 3.07Å; T74-R76 PolarHBondContact O-N 2.87Å; R76-T78 PolarHBondContact O-N 3.38Å; R76-H79 PolarHBondContact O-N 3.07Å; R76-I80 WeakPolarHBondContact O-CG1 3.44Å; R76-I80 PolarHBondContact O-N 2.89Å |
| 77 | E | 91.1 | Very high | 89.3 | Confident | 9 Ų | 9 | 54.4 Ų | 54.4 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.7 | -50.7 | 176.3 | -177.3 | -177.1 | 175.8 | 0 | 0 | 111 | K53 A73 T74 H79 I80 L81 F172 | K53-E77 IonicContact NZ-OE1 2.68Å; K53-E77 PolarHBondContact NZ-OE1 3.38Å; K53-E77 IonicContact NZ-OE2 3.26Å; A73-E77 PolarHBondContact O-N 2.79Å; T74-E77 PolarHBondContact O-N 3.15Å; E77-H79 VanDerWaalsContact C-N 3.34Å; E77-H79 PolarHBondContact O-N 2.7Å; E77-I80 PolarHBondContact O-N 3.35Å; E77-L81 HydrophobicContact CG-CD1 3.96Å; E77-L81 WeakPolarHBondContact O-CB 3.27Å; E77-L81 WeakPolarHBondContact O-CG 3.49Å; E77-L81 PolarHBondContact O-N 2.79Å; E77-F172 HydrophobicContact CG-CB 4.15Å |
| 78 | T | 91.3 | Very high | 90.2 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 179.7 | 61.3 | 0 | 0 | 0 | 0 | 113 | T74 R75 R76 L81 R82 M103 L105 | T74-T78 WeakPolarHBondContact O-CG2 3.33Å; T74-T78 PolarHBondContact O-N 2.91Å; T74-T78 PolarHBondContact O-OG1 3.05Å; R75-T78 PolarHBondContact O-N 2.89Å; R75-T78 PolarHBondContact O-OG1 2.82Å; R76-T78 PolarHBondContact O-N 3.38Å; T78-L81 PolarHBondContact O-N 2.82Å; T78-R82 VanDerWaalsContact O-CG 3.31Å; T78-R82 WeakPolarHBondContact O-CG 3.41Å; T78-R82 PolarHBondContact O-N 3.47Å; T78-M103 HydrophobicContact CG2-SD 3.82Å; T78-L105 HydrophobicContact CG2-CD1 4.18Å; T78-L105 HydrophobicContact CG2-CD2 3.63Å |
| 79 | H | 94.5 | Very high | 90.9 | Very high | 97 Ų | 97 | 53 Ų | 53 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.7 | -48.3 | 176 | -175.5 | 73.2 | 0 | 0 | 0 | 111.3 | R75 R76 E77 R82 Q83 H177 | R75-H79 WeakPolarHBondContact O-CB 3.34Å; R75-H79 PolarHBondContact O-N 2.79Å; R76-H79 PolarHBondContact O-N 3.07Å; E77-H79 VanDerWaalsContact C-N 3.34Å; E77-H79 PolarHBondContact O-N 2.7Å; H79-R82 PolarHBondContact O-N 3.4Å; H79-Q83 PolarHBondContact CD2-NE2 3.22Å; H79-Q83 PolarHBondContact NE2-NE2 2.77Å; H79-Q83 WeakPolarHBondContact O-CG 3.49Å; H79-Q83 PolarHBondContact O-N 2.77Å; H79-Q83 VanDerWaalsContact O-N 3.12Å; H79-H177 AromaticContact CD2-CE1 3.96Å |
| 80 | I | 96.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60 | -48.4 | 175.6 | -71.4 | 171.4 | 0 | 0 | 0 | 110.4 | R76 E77 R82 Q83 V84 I149 F172 S175 | R76-I80 WeakPolarHBondContact O-CG1 3.44Å; R76-I80 PolarHBondContact O-N 2.89Å; E77-I80 PolarHBondContact O-N 3.35Å; I80-R82 VanDerWaalsContact C-N 3.26Å; I80-R82 PolarHBondContact O-N 2.85Å; I80-Q83 WeakPolarHBondContact O-CB 3.49Å; I80-Q83 PolarHBondContact O-N 2.69Å; I80-V84 HydrophobicContact CG2-CG1 4.33Å; I80-V84 WeakPolarHBondContact O-CG1 3.26Å; I80-V84 WeakPolarHBondContact O-CG2 3.4Å; I80-V84 PolarHBondContact O-N 3.05Å; I80-I149 HydrophobicContact CG2-CD1 4.22Å; I80-I149 HydrophobicContact CG2-CG2 4.08Å; I80-F172 HydrophobicContact CG2-CB 4.33Å; I80-F172 HydrophobicContact CG2-CD1 3.57Å; I80-F172 HydrophobicContact CG2-CE1 4.22Å; I80-F172 HydrophobicContact CG2-CG 4.19Å; I80-S175 WeakPolarHBondContact CD1-O 3.44Å |
| 81 | L | 95.8 | Very high | 92.5 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.5 | -38.1 | 178.8 | -78.7 | 168.6 | 0 | 0 | 0 | 113 | E77 T78 A85 I91 L93 F107 F172 | E77-L81 HydrophobicContact CG-CD1 3.96Å; E77-L81 WeakPolarHBondContact O-CB 3.27Å; E77-L81 WeakPolarHBondContact O-CG 3.49Å; E77-L81 PolarHBondContact O-N 2.79Å; T78-L81 PolarHBondContact O-N 2.82Å; L81-A85 PolarHBondContact O-N 3.02Å; L81-I91 HydrophobicContact CD2-CG2 4Å; L81-L93 HydrophobicContact CB-CB 4.09Å; L81-L93 HydrophobicContact CB-CD2 4.1Å; L81-F107 HydrophobicContact CD1-CE1 3.83Å; L81-F107 HydrophobicContact CD1-CZ 3.9Å; L81-F107 HydrophobicContact CD2-CE1 4.17Å; L81-F172 HydrophobicContact CD2-CD2 3.54Å; L81-F172 HydrophobicContact CD2-CE2 4.05Å; L81-F172 HydrophobicContact CD2-CG 4.19Å; L81-F172 HydrophobicContact CG-CB 4.41Å; L81-F172 HydrophobicContact CG-CD2 4.33Å |
| 82 | R | 95.1 | Very high | 93.2 | Very high | 143 Ų | 143 | 43.6 Ų | 43.6 | 54% | 0.54 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.1 | -37.9 | 175.4 | -72.7 | 173.2 | -176.8 | 153.5 | 1.2 | 112.3 | T78 H79 I80 A85 L93 S96 | T78-R82 VanDerWaalsContact O-CG 3.31Å; T78-R82 WeakPolarHBondContact O-CG 3.41Å; T78-R82 PolarHBondContact O-N 3.47Å; H79-R82 PolarHBondContact O-N 3.4Å; I80-R82 VanDerWaalsContact C-N 3.26Å; I80-R82 PolarHBondContact O-N 2.85Å; R82-A85 WeakPolarHBondContact O-CB 3.37Å; R82-L93 HydrophobicContact CG-CD2 4.13Å; R82-S96 PolarHBondContact NH2-OG 2.87Å |
| 83 | Q | 96.4 | Very high | 93.7 | Very high | 82 Ų | 82 | 40.2 Ų | 40.2 | 38% | 0.383 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -67.5 | -39.1 | 177.9 | -70.6 | -175.8 | -5.4 | 0 | 0 | 112.5 | H79 I80 A85 H177 | H79-Q83 PolarHBondContact CD2-NE2 3.22Å; H79-Q83 PolarHBondContact NE2-NE2 2.77Å; H79-Q83 WeakPolarHBondContact O-CG 3.49Å; H79-Q83 PolarHBondContact O-N 2.77Å; H79-Q83 VanDerWaalsContact O-N 3.12Å; I80-Q83 WeakPolarHBondContact O-CB 3.49Å; I80-Q83 PolarHBondContact O-N 2.69Å; Q83-A85 VanDerWaalsContact C-N 3.31Å; Q83-H177 PolarHBondContact NE2-NE2 3.07Å; Q83-H177 PolarHBondContact OE1-CE1 3.26Å; Q83-H177 PolarHBondContact OE1-NE2 2.86Å |
| 84 | V | 97.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -86.9 | -4 | -176.5 | -55.1 | 0 | 0 | 0 | 0 | 113.3 | I80 G86 H87 I90 F143 L144 I149 F172 | I80-V84 HydrophobicContact CG2-CG1 4.33Å; I80-V84 WeakPolarHBondContact O-CG1 3.26Å; I80-V84 WeakPolarHBondContact O-CG2 3.4Å; I80-V84 PolarHBondContact O-N 3.05Å; V84-G86 PolarHBondContact O-N 2.85Å; V84-H87 PolarHBondContact O-N 2.67Å; V84-I90 HydrophobicContact CB-CD1 4.13Å; V84-I90 HydrophobicContact CB-CG2 4.29Å; V84-I90 HydrophobicContact CG2-CG2 3.66Å; V84-F143 HydrophobicContact CB-CE1 3.93Å; V84-F143 HydrophobicContact CG1-CE1 4.12Å; V84-L144 HydrophobicContact CB-CD2 4.31Å; V84-L144 HydrophobicContact CG1-CD2 3.5Å; V84-L144 VanDerWaalsContact CG1-CD2 3.5Å; V84-I149 HydrophobicContact CG1-CD1 3.68Å; V84-F172 HydrophobicContact CG2-CZ 4.36Å |
| 85 | A | 94.2 | Very high | 94.7 | Very high | 47 Ų | 47 | 43.5 Ų | 43.5 | 39% | 0.388 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | 133.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L81 R82 Q83 T92 | L81-A85 PolarHBondContact O-N 3.02Å; R82-A85 WeakPolarHBondContact O-CB 3.37Å; Q83-A85 VanDerWaalsContact C-N 3.31Å; A85-T92 HydrophobicContact CB-CG2 4.38Å |
| 86 | G | 92.6 | Very high | 95 | Very high | 66 Ų | 66 | 41.9 Ų | 41.9 | 68% | 0.68 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 104 | -14.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | V84 | V84-G86 PolarHBondContact O-N 2.85Š|
| 87 | H | 97.6 | Very high | 95 | Very high | 29 Ų | 29 | 38.2 Ų | 38.2 | 13% | 0.134 | 21% | 0.214 | C | C | . | . | trans | -70.7 | 130.5 | 171.3 | -169.7 | -85.7 | 0 | 0 | 0 | 110.8 | V84 H89 I90 F143 | V84-H87 PolarHBondContact O-N 2.67Å; H87-H89 PolarHBondContact ND1-N 2.84Å; H87-H89 VanDerWaalsContact ND1-N 3.19Å; H87-H89 PolarHBondContact O-N 2.71Å; H87-I90 HydrophobicContact CB-CB 4.17Å; H87-I90 HydrophobicContact CB-CD1 3.92Å; H87-I90 HydrophobicContact CB-CG1 4.14Å; H87-I90 PolarHBondContact O-N 2.68Å; H87-F143 HydrophobicContact CB-CD1 4.08Å; H87-F143 HydrophobicContact CB-CE1 4.02Å; H87-F143 HydrophobicContact CB-CZ 4.41Å; H87-F143 AromaticContact CD2-CD1 3.82Å; H87-F143 AromaticContact CD2-CD2 3.75Å; H87-F143 AromaticContact CD2-CG 3.43Å; H87-F143 VanDerWaalsContact CD2-CG 3.43Å; H87-F143 WeakPolarHBondContact CD2-CG 3.4Å; H87-F143 AromaticContact CG-CD1 3.99Å | ||
| 88 | P | 97.1 | Very high | 94.7 | Very high | 80 Ų | 80 | 40 Ų | 40 | 52% | 0.519 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -24.6 | -172.1 | 25.3 | -35.6 | 0 | 0 | 0 | 114.2 | R168 | P88-R168 PolarHBondContact O-NH1 3.48Š|
| 89 | H | 98.1 | Very high | 94.2 | Very high | 21 Ų | 21 | 40 Ų | 40 | 10% | 0.097 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 16.8 | -178.3 | -56.9 | -47 | 0 | 0 | 0 | 113.6 | H87 E139 A140 I167 R168 L169 | H87-H89 PolarHBondContact ND1-N 2.84Å; H87-H89 VanDerWaalsContact ND1-N 3.19Å; H87-H89 PolarHBondContact O-N 2.71Å; H89-E139 IonicContact CD2-OE2 4Å; H89-E139 PolarHBondContact CD2-OE2 3.23Å; H89-E139 IonicContact NE2-OE2 3.61Å; H89-E139 PolarHBondContact NE2-OE2 3.16Å; H89-A140 HydrophobicContact CB-CB 4.05Å; H89-I167 PolarHBondContact ND1-O 3.02Å; H89-R168 WeakPolarHBondContact O-CA 3.31Å; H89-L169 PolarHBondContact O-N 3.06Å |
| 90 | I | 98.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | B | Isolated β-bridge | trans | -121.5 | 147.4 | 172.4 | -61.4 | 173.5 | 0 | 0 | 0 | 108.3 | V84 H87 A140 F143 L144 R168 L169 F172 | V84-I90 HydrophobicContact CB-CD1 4.13Å; V84-I90 HydrophobicContact CB-CG2 4.29Å; V84-I90 HydrophobicContact CG2-CG2 3.66Å; H87-I90 HydrophobicContact CB-CB 4.17Å; H87-I90 HydrophobicContact CB-CD1 3.92Å; H87-I90 HydrophobicContact CB-CG1 4.14Å; H87-I90 PolarHBondContact O-N 2.68Å; I90-A140 HydrophobicContact CD1-CB 4.36Å; I90-A140 HydrophobicContact CG1-CB 3.92Å; I90-F143 HydrophobicContact CD1-CD1 3.65Å; I90-F143 HydrophobicContact CD1-CE1 4.08Å; I90-L144 HydrophobicContact CD1-CD2 3.79Å; I90-L144 HydrophobicContact CD1-CG 4.12Å; I90-R168 PolarHBondContact O-NH1 3.4Å; I90-L169 HydrophobicContact CG1-CB 4.44Å; I90-F172 HydrophobicContact CG2-CE2 3.76Å; I90-F172 HydrophobicContact CG2-CZ 3.6Å |
| 91 | I | 96.8 | Very high | 92.4 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.031 | 22% | 0.222 | C | C | . | . | trans | -66.7 | 134 | 177.7 | -164 | 67.7 | 0 | 0 | 0 | 110.3 | L81 F107 D108 M110 L160 R168 L169 F172 | L81-I91 HydrophobicContact CD2-CG2 4Å; I91-F107 HydrophobicContact CD1-CB 4.32Å; I91-F107 HydrophobicContact CG1-CB 3.94Å; I91-F107 HydrophobicContact CG1-CD1 3.78Å; I91-F107 HydrophobicContact CG1-CG 4.14Å; I91-F107 HydrophobicContact CG2-CD1 4.22Å; I91-F107 HydrophobicContact CG2-CE1 4.34Å; I91-D108 HydrophobicContact CD1-CB 3.99Å; I91-M110 HydrophobicContact CD1-CG 3.87Å; I91-M110 HydrophobicContact CD1-SD 4.3Å; I91-L160 HydrophobicContact CD1-CD1 4.34Å; I91-R168 HydrophobicContact CB-CB 4.49Å; I91-R168 HydrophobicContact CD1-CB 4.41Å; I91-L169 WeakPolarHBondContact CB-O 3.46Å; I91-L169 WeakPolarHBondContact CG2-O 3.48Å; I91-L169 PolarHBondContact N-O 2.93Å; I91-F172 HydrophobicContact CG2-CE2 4.46Å | ||
| 92 | T | 95.6 | Very high | 91.8 | Very high | 30 Ų | 30 | 41.5 Ų | 41.5 | 18% | 0.184 | 24% | 0.236 | C | C | . | . | trans | -91.2 | 123.5 | 179.7 | -38.2 | 0 | 0 | 0 | 0 | 109.8 | A85 I94 F107 D108 | A85-T92 HydrophobicContact CB-CG2 4.38Å; T92-I94 HydrophobicContact CG2-CD1 3.93Å; T92-I94 PolarHBondContact O-N 3.37Å; T92-F107 VanDerWaalsContact O-CA 3.32Å; T92-F107 WeakPolarHBondContact O-CA 3.5Å; T92-F107 WeakPolarHBondContact O-CD1 3.47Å; T92-D108 WeakPolarHBondContact CB-OD2 3.43Å; T92-D108 PolarHBondContact O-N 2.92Å; T92-D108 PolarHBondContact OG1-OD2 2.92Å | ||
| 93 | L | 95.6 | Very high | 91.5 | Very high | 19 Ų | 19 | 35 Ų | 35 | 10% | 0.099 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 109.9 | 164.4 | -179.6 | 67.4 | 0 | 0 | 0 | 108.5 | L81 R82 D95 L105 F107 | L81-L93 HydrophobicContact CB-CB 4.09Å; L81-L93 HydrophobicContact CB-CD2 4.1Å; R82-L93 HydrophobicContact CG-CD2 4.13Å; L93-D95 WeakPolarHBondContact CD1-O 3.06Å; L93-L105 HydrophobicContact CD1-CB 3.87Å; L93-L105 HydrophobicContact CD1-CD2 4.01Å; L93-L105 HydrophobicContact CD1-CG 4.47Å; L93-F107 HydrophobicContact CB-CD1 4.33Å; L93-F107 HydrophobicContact CB-CE1 4Å; L93-F107 HydrophobicContact CD1-CD1 4.23Å; L93-F107 HydrophobicContact CD1-CE1 3.72Å; L93-F107 HydrophobicContact CD1-CE2 4.49Å; L93-F107 HydrophobicContact CD1-CZ 3.87Å; L93-F107 HydrophobicContact CG-CE1 4.47Å |
| 94 | I | 95.2 | Very high | 91.2 | Very high | 63 Ų | 63 | 31.4 Ų | 31.4 | 32% | 0.323 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | -49.4 | -175.9 | -55.1 | -60.6 | 0 | 0 | 0 | 111.1 | F50 T92 V106 | F50-I94 HydrophobicContact CD1-CG1 4.05Å; F50-I94 HydrophobicContact CE1-CG1 4.06Å; F50-I94 HydrophobicContact CE1-CG2 4.13Å; T92-I94 HydrophobicContact CG2-CD1 3.93Å; T92-I94 PolarHBondContact O-N 3.37Å; I94-V106 HydrophobicContact CB-CB 4.49Å; I94-V106 HydrophobicContact CB-CG1 4.28Å; I94-V106 WeakPolarHBondContact CB-O 3.33Å; I94-V106 PolarHBondContact N-O 3.25Å |
| 95 | D | 93.8 | Very high | 91 | Very high | 41 Ų | 41 | 31.4 Ų | 31.4 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 155.4 | 177.3 | -78.2 | -44.3 | 0 | 0 | 0 | 109.2 | K23 Y24 L93 Y97 V106 | K23-D95 WeakPolarHBondContact CE-OD2 3.2Å; K23-D95 IonicContact NZ-OD1 2.84Å; K23-D95 PolarHBondContact NZ-OD1 3.07Å; K23-D95 IonicContact NZ-OD2 3.65Å; K23-D95 PolarHBondContact NZ-OD2 3.03Å; Y24-D95 HydrophobicContact CE2-CB 4.37Å; Y24-D95 WeakPolarHBondContact CE2-OD2 3.18Å; Y24-D95 VanDerWaalsContact CZ-OD2 3.31Å; Y24-D95 PolarHBondContact OH-OD2 2.67Å; L93-D95 WeakPolarHBondContact CD1-O 3.06Å; D95-Y97 HydrophobicContact CB-CE2 3.93Å; D95-V106 HydrophobicContact CB-CB 4.11Å; D95-V106 HydrophobicContact CB-CG2 4.15Å; D95-V106 PolarHBondContact N-O 2.6Å; D95-V106 PolarHBondContact O-N 3.4Å |
| 96 | S | 92.2 | Very high | 91.1 | Very high | 37 Ų | 37 | 29.1 Ų | 29.1 | 26% | 0.259 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 135.3 | 172.9 | 59.2 | 0 | 0 | 0 | 0 | 110.2 | R82 F104 | R82-S96 PolarHBondContact NH2-OG 2.87Å; S96-F104 CarbonylContact C-O 3.51Å; S96-F104 VanDerWaalsContact CA-O 3.29Å; S96-F104 WeakPolarHBondContact CA-O 3.34Å |
| 97 | Y | 90.3 | Very high | 91.3 | Very high | 22 Ų | 22 | 27 Ų | 27 | 9% | 0.086 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 117 | 172.4 | -53.1 | -90.2 | 0 | 0 | 0 | 108.7 | E19 F20 K23 Y24 D95 M103 F104 V106 | E19-Y97 HydrophobicContact CB-CD1 3.84Å; E19-Y97 HydrophobicContact CB-CE1 3.79Å; F20-Y97 HydrophobicContact CB-CD2 3.91Å; F20-Y97 HydrophobicContact CB-CE2 4.24Å; F20-Y97 HydrophobicContact CB-CG 4.11Å; F20-Y97 AromaticContact CD2-CD2 3.97Å; F20-Y97 HydrophobicContact CD2-CD2 3.97Å; F20-Y97 HydrophobicContact CD2-CE2 4.01Å; F20-Y97 HydrophobicContact CG-CD2 4.42Å; K23-Y97 WeakPolarHBondContact CD-OH 3.2Å; Y24-Y97 HydrophobicContact CD2-CE2 4.21Å; Y24-Y97 HydrophobicContact CE2-CE2 4.03Å; D95-Y97 HydrophobicContact CB-CE2 3.93Å; Y97-M103 WeakPolarHBondContact O-CA 3.23Å; Y97-F104 HydrophobicContact CD2-CB 4.16Å; Y97-F104 PolarHBondContact N-O 2.92Å; Y97-F104 PolarHBondContact O-N 3.21Å; Y97-V106 HydrophobicContact CE2-CG2 4.4Å |
| 98 | E | 83.8 | Confident | 91.1 | Very high | 46 Ų | 46 | 27.4 Ų | 27.4 | 22% | 0.215 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 138.4 | -178.6 | -178.3 | 173.4 | 168.1 | 0 | 0 | 109.9 | A16 R75 M103 | A16-E98 WeakPolarHBondContact CB-O 3.49Å; R75-E98 IonicContact CZ-OE1 3.56Å; R75-E98 IonicContact NE-OE1 3.11Å; R75-E98 PolarHBondContact NE-OE1 3.04Å; R75-E98 VanDerWaalsContact NE-OE1 3.11Å; R75-E98 IonicContact NH2-OE1 3.05Å; R75-E98 PolarHBondContact NH2-OE1 3.48Å; E98-M103 HydrophobicContact CB-CE 4.28Å; E98-M103 HydrophobicContact CG-CE 3.8Å |
| 99 | S | 81 | Confident | 91 | Very high | 7 Ų | 7 | 25 Ų | 25 | 5% | 0.049 | 13% | 0.134 | C | C | . | . | B | Isolated β-bridge | trans | -141.2 | 172.8 | 169.1 | 59.9 | 0 | 0 | 0 | 0 | 110.7 | L11 D13 S101 F102 | L11-S99 WeakPolarHBondContact O-CA 3.12Å; L11-S99 WeakPolarHBondContact O-CB 3.27Å; D13-S99 VanDerWaalsContact OD1-CB 3.29Å; D13-S99 WeakPolarHBondContact OD1-CB 3.36Å; D13-S99 PolarHBondContact OD1-OG 3.25Å; S99-S101 PolarHBondContact O-N 3.22Å; S99-F102 PolarHBondContact N-O 3.12Å; S99-F102 PolarHBondContact OG-N 3.17Å; S99-F102 VanDerWaalsContact OG-N 3.07Å; S99-F102 PolarHBondContact OG-O 3.14Å |
| 100 | S | 75.9 | Confident | 90.9 | Very high | 42 Ų | 42 | 24.9 Ų | 24.9 | 29% | 0.294 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -60 | -28.9 | 179.7 | 47.8 | 0 | 0 | 0 | 0 | 114.5 | D13 R71 | D13-S100 WeakPolarHBondContact OD1-CA 3.31Å; D13-S100 PolarHBondContact OD1-N 2.73Å; D13-S100 PolarHBondContact OD1-OG 3.06Å; D13-S100 PolarHBondContact OD2-OG 2.92Å; R71-S100 PolarHBondContact NH2-O 3.22Å |
| 101 | S | 78.8 | Confident | 90.6 | Very high | 21 Ų | 21 | 31.1 Ų | 31.1 | 15% | 0.147 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -111.4 | -26.1 | -177.1 | -62.6 | 0 | 0 | 0 | 0 | 114.4 | D13 V57 S99 | D13-S101 PolarHBondContact OD1-N 3.41Å; D13-S101 VanDerWaalsContact OD2-CB 3.24Å; D13-S101 WeakPolarHBondContact OD2-CB 3.13Å; D13-S101 PolarHBondContact OD2-OG 2.66Å; V57-S101 PolarHBondContact N-O 2.8Å; S99-S101 PolarHBondContact O-N 3.22Å |
| 102 | F | 83.4 | Confident | 90.4 | Very high | 68 Ų | 68 | 35.5 Ų | 35.5 | 30% | 0.298 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 146.8 | -174.3 | -61.1 | -81.8 | 0 | 0 | 0 | 112.8 | M55 E56 S99 F104 | M55-F102 WeakPolarHBondContact O-CA 3.28Å; E56-F102 HydrophobicContact CB-CD1 4.16Å; E56-F102 HydrophobicContact CB-CE1 3.99Å; E56-F102 HydrophobicContact CG-CD1 4.1Å; E56-F102 HydrophobicContact CG-CE1 3.55Å; E56-F102 HydrophobicContact CG-CZ 4.22Å; S99-F102 PolarHBondContact N-O 3.12Å; S99-F102 PolarHBondContact OG-N 3.17Å; S99-F102 VanDerWaalsContact OG-N 3.07Å; S99-F102 PolarHBondContact OG-O 3.14Å; F102-F104 HydrophobicContact CB-CD2 4.47Å; F102-F104 HydrophobicContact CB-CE2 3.74Å; F102-F104 HydrophobicContact CB-CZ 4.16Å |
| 103 | M | 87.1 | Confident | 90.2 | Very high | 7 Ų | 7 | 35.3 Ų | 35.3 | 3% | 0.034 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 131.6 | 166.4 | -165.3 | 177 | -70.2 | 0 | 0 | 110.9 | I54 M55 T74 T78 Y97 E98 L105 | I54-M103 CarbonylContact C-O 3.56Å; I54-M103 WeakPolarHBondContact CA-O 3.34Å; M55-M103 HydrophobicContact CB-CB 4.36Å; M55-M103 PolarHBondContact N-O 3.39Å; M55-M103 PolarHBondContact O-N 3.5Å; T74-M103 HydrophobicContact CG2-CE 3.47Å; T74-M103 VanDerWaalsContact CG2-CE 3.47Å; T74-M103 HydrophobicContact CG2-SD 3.21Å; T74-M103 WeakPolarHBondContact CG2-SD 3.47Å; T78-M103 HydrophobicContact CG2-SD 3.82Å; Y97-M103 WeakPolarHBondContact O-CA 3.23Å; E98-M103 HydrophobicContact CB-CE 4.28Å; E98-M103 HydrophobicContact CG-CE 3.8Å; M103-L105 HydrophobicContact CG-CD2 3.89Å; M103-L105 HydrophobicContact CG-CG 4.13Å; M103-L105 HydrophobicContact SD-CD1 4.28Å; M103-L105 HydrophobicContact SD-CD2 3.74Å; M103-L105 HydrophobicContact SD-CG 4.14Å |
| 104 | F | 91.4 | Very high | 90 | Very high | 6 Ų | 6 | 37.8 Ų | 37.8 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 113.5 | 176.2 | -55.9 | -100.4 | 0 | 0 | 0 | 108.8 | A17 F20 V52 I54 S96 Y97 F102 | A17-F104 HydrophobicContact CB-CZ 4.42Å; F20-F104 HydrophobicContact CB-CD1 4.37Å; F20-F104 HydrophobicContact CB-CG 4.28Å; F20-F104 AromaticContact CD1-CD1 3.72Å; F20-F104 HydrophobicContact CD1-CD1 3.72Å; F20-F104 AromaticContact CD1-CE1 3.88Å; F20-F104 HydrophobicContact CD1-CE1 3.88Å; F20-F104 HydrophobicContact CD1-CG 4.44Å; F20-F104 HydrophobicContact CD2-CB 4.12Å; F20-F104 HydrophobicContact CD2-CD1 4.17Å; F20-F104 HydrophobicContact CD2-CG 4.34Å; F20-F104 HydrophobicContact CE1-CD1 4.08Å; F20-F104 HydrophobicContact CE1-CE1 4.3Å; F20-F104 HydrophobicContact CE2-CD1 4.49Å; F20-F104 HydrophobicContact CG-CB 4.32Å; F20-F104 AromaticContact CG-CD1 3.78Å; F20-F104 HydrophobicContact CG-CD1 3.78Å; F20-F104 HydrophobicContact CG-CE1 4.31Å; F20-F104 HydrophobicContact CG-CG 4.07Å; F20-F104 HydrophobicContact CZ-CD1 4.47Å; V52-F104 HydrophobicContact CG2-CB 4.15Å; V52-F104 HydrophobicContact CG2-CD1 4.36Å; I54-F104 HydrophobicContact CB-CD1 4.43Å; I54-F104 HydrophobicContact CD1-CD1 4.27Å; I54-F104 HydrophobicContact CD1-CE1 4.15Å; I54-F104 HydrophobicContact CG1-CD1 3.85Å; I54-F104 HydrophobicContact CG1-CE1 4.12Å; I54-F104 HydrophobicContact CG2-CD1 4.04Å; I54-F104 HydrophobicContact CG2-CE1 3.76Å; I54-F104 HydrophobicContact CG2-CZ 4.31Å; S96-F104 CarbonylContact C-O 3.51Å; S96-F104 VanDerWaalsContact CA-O 3.29Å; S96-F104 WeakPolarHBondContact CA-O 3.34Å; Y97-F104 HydrophobicContact CD2-CB 4.16Å; Y97-F104 PolarHBondContact N-O 2.92Å; Y97-F104 PolarHBondContact O-N 3.21Å; F102-F104 HydrophobicContact CB-CD2 4.47Å; F102-F104 HydrophobicContact CB-CE2 3.74Å; F102-F104 HydrophobicContact CB-CZ 4.16Å |
| 105 | L | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 116.1 | 178 | -57.8 | 179.6 | 0 | 0 | 0 | 109.1 | V52 K53 M55 T78 L93 M103 F107 | V52-L105 CarbonylContact C-O 3.43Å; V52-L105 VanDerWaalsContact CA-O 3.3Å; V52-L105 WeakPolarHBondContact CA-O 3.33Å; K53-L105 HydrophobicContact CB-CB 4.39Å; K53-L105 PolarHBondContact N-O 3.48Å; K53-L105 PolarHBondContact O-N 3.12Å; M55-L105 HydrophobicContact SD-CD1 4.2Å; T78-L105 HydrophobicContact CG2-CD1 4.18Å; T78-L105 HydrophobicContact CG2-CD2 3.63Å; L93-L105 HydrophobicContact CD1-CB 3.87Å; L93-L105 HydrophobicContact CD1-CD2 4.01Å; L93-L105 HydrophobicContact CD1-CG 4.47Å; M103-L105 HydrophobicContact CG-CD2 3.89Å; M103-L105 HydrophobicContact CG-CG 4.13Å; M103-L105 HydrophobicContact SD-CD1 4.28Å; M103-L105 HydrophobicContact SD-CD2 3.74Å; M103-L105 HydrophobicContact SD-CG 4.14Å; L105-F107 HydrophobicContact CB-CD2 4.28Å; L105-F107 HydrophobicContact CB-CE2 3.37Å; L105-F107 HydrophobicContact CB-CZ 3.65Å; L105-F107 HydrophobicContact CD1-CE2 4.41Å; L105-F107 HydrophobicContact CD1-CZ 4.14Å; L105-F107 WeakPolarHBondContact O-CD2 3.44Å; L105-F107 WeakPolarHBondContact O-CE2 3.45Å |
| 106 | V | 96.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 127.9 | -177.9 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | F20 Y24 F50 A51 V52 I94 D95 Y97 | F20-V106 HydrophobicContact CD2-CG2 4.41Å; F20-V106 HydrophobicContact CE2-CG2 4.16Å; Y24-V106 HydrophobicContact CD2-CG2 4.27Å; Y24-V106 HydrophobicContact CE1-CG1 4Å; Y24-V106 HydrophobicContact CE2-CG1 4.49Å; Y24-V106 HydrophobicContact CE2-CG2 3.97Å; F50-V106 HydrophobicContact CB-CG1 3.71Å; F50-V106 HydrophobicContact CD1-CG1 4.36Å; F50-V106 HydrophobicContact CG-CG1 4.04Å; A51-V106 CarbonylContact O-C 3.6Å; A51-V106 WeakPolarHBondContact O-CA 3.43Å; V52-V106 HydrophobicContact CG2-CG2 4.28Å; I94-V106 HydrophobicContact CB-CB 4.49Å; I94-V106 HydrophobicContact CB-CG1 4.28Å; I94-V106 WeakPolarHBondContact CB-O 3.33Å; I94-V106 PolarHBondContact N-O 3.25Å; D95-V106 HydrophobicContact CB-CB 4.11Å; D95-V106 HydrophobicContact CB-CG2 4.15Å; D95-V106 PolarHBondContact N-O 2.6Å; D95-V106 PolarHBondContact O-N 3.4Å; Y97-V106 HydrophobicContact CE2-CG2 4.4Å |
| 107 | F | 96 | Very high | 89.7 | Confident | 21 Ų | 21 | 34 Ų | 34 | 9% | 0.092 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 165.4 | -175.1 | -60.9 | -81.4 | 0 | 0 | 0 | 112.2 | F50 A51 K53 L81 I91 T92 L93 L105 L109 | F50-F107 WeakPolarHBondContact CB-O 3.43Å; A51-F107 PolarHBondContact N-O 3.4Å; A51-F107 PolarHBondContact O-N 2.9Å; K53-F107 HydrophobicContact CB-CD2 4.46Å; K53-F107 HydrophobicContact CB-CE2 3.95Å; L81-F107 HydrophobicContact CD1-CE1 3.83Å; L81-F107 HydrophobicContact CD1-CZ 3.9Å; L81-F107 HydrophobicContact CD2-CE1 4.17Å; I91-F107 HydrophobicContact CD1-CB 4.32Å; I91-F107 HydrophobicContact CG1-CB 3.94Å; I91-F107 HydrophobicContact CG1-CD1 3.78Å; I91-F107 HydrophobicContact CG1-CG 4.14Å; I91-F107 HydrophobicContact CG2-CD1 4.22Å; I91-F107 HydrophobicContact CG2-CE1 4.34Å; T92-F107 VanDerWaalsContact O-CA 3.32Å; T92-F107 WeakPolarHBondContact O-CA 3.5Å; T92-F107 WeakPolarHBondContact O-CD1 3.47Å; L93-F107 HydrophobicContact CB-CD1 4.33Å; L93-F107 HydrophobicContact CB-CE1 4Å; L93-F107 HydrophobicContact CD1-CD1 4.23Å; L93-F107 HydrophobicContact CD1-CE1 3.72Å; L93-F107 HydrophobicContact CD1-CE2 4.49Å; L93-F107 HydrophobicContact CD1-CZ 3.87Å; L93-F107 HydrophobicContact CG-CE1 4.47Å; L105-F107 HydrophobicContact CB-CD2 4.28Å; L105-F107 HydrophobicContact CB-CE2 3.37Å; L105-F107 HydrophobicContact CB-CZ 3.65Å; L105-F107 HydrophobicContact CD1-CE2 4.41Å; L105-F107 HydrophobicContact CD1-CZ 4.14Å; L105-F107 WeakPolarHBondContact O-CD2 3.44Å; L105-F107 WeakPolarHBondContact O-CE2 3.45Å; F107-L109 PolarHBondContact O-N 2.86Å |
| 108 | D | 93.9 | Very high | 89.7 | Confident | 38 Ų | 38 | 34.3 Ų | 34.3 | 20% | 0.203 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.8 | 137 | 164.6 | -67.7 | -46.1 | 0 | 0 | 0 | 111.2 | I91 T92 M110 R168 | I91-D108 HydrophobicContact CD1-CB 3.99Å; T92-D108 WeakPolarHBondContact CB-OD2 3.43Å; T92-D108 PolarHBondContact O-N 2.92Å; T92-D108 PolarHBondContact OG1-OD2 2.92Å; D108-M110 PolarHBondContact O-N 3.36Å; D108-R168 IonicContact OD2-CZ 2.66Å; D108-R168 IonicContact OD2-NE 3.5Å; D108-R168 IonicContact OD2-NH1 3.3Å; D108-R168 IonicContact OD2-NH2 3.12Å |
| 109 | L | 95 | Very high | 90.1 | Very high | 30 Ų | 30 | 32.1 Ų | 32.1 | 16% | 0.157 | 16% | 0.159 | C | C | . | . | trans | -81.8 | 113.7 | 177.2 | -179.8 | 62.8 | 0 | 0 | 0 | 111.4 | I30 R40 E49 A51 F107 R111 | I30-L109 HydrophobicContact CD1-CD1 3.9Å; R40-L109 HydrophobicContact CG-CD1 4.46Å; R40-L109 HydrophobicContact CG-CD2 4.05Å; E49-L109 HydrophobicContact CB-CD2 3.85Å; A51-L109 HydrophobicContact CB-CD1 4.18Å; F107-L109 PolarHBondContact O-N 2.86Å; L109-R111 HydrophobicContact CD2-CG 4.24Å; L109-R111 HydrophobicContact CG-CG 4.16Å; L109-R111 PolarHBondContact O-N 2.75Å | ||
| 110 | M | 95.4 | Very high | 90.2 | Very high | 18 Ų | 18 | 32.1 Ų | 32.1 | 9% | 0.089 | 16% | 0.158 | C | C | . | . | trans | -95.4 | 88.3 | 178.2 | -57.3 | -58 | -73.3 | 0 | 0 | 111 | I91 D108 K112 G113 L160 L161 D162 R168 | I91-M110 HydrophobicContact CD1-CG 3.87Å; I91-M110 HydrophobicContact CD1-SD 4.3Å; D108-M110 PolarHBondContact O-N 3.36Å; M110-K112 VanDerWaalsContact C-N 3.27Å; M110-K112 PolarHBondContact O-N 3.01Å; M110-G113 PolarHBondContact O-N 2.84Å; M110-L160 HydrophobicContact CB-CB 3.66Å; M110-L160 HydrophobicContact CB-CD1 4.11Å; M110-L160 HydrophobicContact CB-CG 4.42Å; M110-L160 HydrophobicContact CE-CB 4Å; M110-L160 WeakPolarHBondContact CE-O 3.4Å; M110-L160 HydrophobicContact CG-CB 3.6Å; M110-L160 HydrophobicContact CG-CD1 3.76Å; M110-L160 HydrophobicContact CG-CG 4.33Å; M110-L161 CarbonylContact C-O 3.59Å; M110-L161 VanDerWaalsContact CE-C 3.5Å; M110-D162 HydrophobicContact CE-CB 3.89Å; M110-D162 HydrophobicContact SD-CB 4.33Å; M110-R168 HydrophobicContact CE-CB 3.75Å; M110-R168 HydrophobicContact CE-CG 3.6Å; M110-R168 HydrophobicContact SD-CB 4.33Å; M110-R168 VanDerWaalsContact SD-CD 3.56Å; M110-R168 HydrophobicContact SD-CG 4.05Å | ||
| 111 | R | 92.4 | Very high | 90.7 | Very high | 132 Ų | 132 | 34.8 Ų | 34.8 | 50% | 0.498 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.9 | -167.6 | -62.7 | -169.3 | -167.1 | -88.4 | -4.4 | 115.4 | E49 L109 G113 D163 | E49-R111 IonicContact OE2-CZ 3.85Å; E49-R111 IonicContact OE2-NH1 3.79Å; E49-R111 PolarHBondContact OE2-NH1 2.97Å; E49-R111 IonicContact OE2-NH2 3.81Å; E49-R111 PolarHBondContact OE2-NH2 3.07Å; L109-R111 HydrophobicContact CD2-CG 4.24Å; L109-R111 HydrophobicContact CG-CG 4.16Å; L109-R111 PolarHBondContact O-N 2.75Å; R111-G113 VanDerWaalsContact C-N 3.27Å; R111-D163 WeakPolarHBondContact CD-OD1 3.27Å; R111-D163 VanDerWaalsContact CD-OD2 3.26Å; R111-D163 WeakPolarHBondContact CD-OD2 3.37Å; R111-D163 IonicContact NE-OD2 2.69Å; R111-D163 PolarHBondContact NE-OD2 2.82Å |
| 112 | K | 92.2 | Very high | 91.1 | Very high | 97 Ų | 97 | 38.4 Ų | 38.4 | 42% | 0.422 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 3.2 | 177 | -67.6 | -154.1 | 176.9 | -165 | 0 | 113.4 | M110 L161 D162 M165 | M110-K112 VanDerWaalsContact C-N 3.27Å; M110-K112 PolarHBondContact O-N 3.01Å; K112-L161 WeakPolarHBondContact CA-O 3.43Å; K112-L161 HydrophobicContact CB-CB 3.7Å; K112-L161 WeakPolarHBondContact CB-O 3.4Å; K112-L161 PolarHBondContact N-O 3.18Å; K112-D162 WeakPolarHBondContact CG-O 3.38Å; K112-M165 HydrophobicContact CD-SD 3.55Å; K112-M165 VanDerWaalsContact CD-SD 3.55Å; K112-M165 PolarHBondContact NZ-SD 3.28Å |
| 113 | G | 92.1 | Very high | 91.3 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 27% | 0.268 | 17% | 0.169 | S | C | . | . | trans | 65.6 | -145.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M110 R111 L160 L161 | M110-G113 PolarHBondContact O-N 2.84Å; R111-G113 VanDerWaalsContact C-N 3.27Å; G113-L160 CarbonylContact O-C 3.57Å; G113-L160 WeakPolarHBondContact O-CA 3.46Å; G113-L161 PolarHBondContact O-N 3.24Å | ||
| 114 | E | 92.6 | Very high | 91.4 | Very high | 72 Ų | 72 | 36.2 Ų | 36.2 | 34% | 0.336 | 17% | 0.173 | S | C | . | . | B | Isolated β-bridge | trans | -80.8 | 144.9 | -173.1 | -58.7 | 170 | -158.2 | 0 | 0 | 112.3 | F116 D117 Y118 E157 L160 | E114-F116 HydrophobicContact CB-CB 4.42Å; E114-F116 PolarHBondContact O-N 3.4Å; E114-D117 PolarHBondContact O-N 2.68Å; E114-Y118 PolarHBondContact O-N 2.96Å; E114-E157 WeakPolarHBondContact CG-O 3.48Å; E114-L160 HydrophobicContact CG-CD2 4Å |
| 115 | L | 95 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62 | -29.4 | 172.4 | 175.6 | 62.3 | 0 | 0 | 0 | 111.4 | Y118 L119 I133 P156 I159 L161 L226 | L115-Y118 HydrophobicContact CD1-CD1 4.14Å; L115-Y118 PolarHBondContact O-N 3.3Å; L115-L119 WeakPolarHBondContact O-CB 3.43Å; L115-L119 PolarHBondContact O-N 3.17Å; L115-I133 HydrophobicContact CD1-CD1 3.9Å; L115-I133 HydrophobicContact CD2-CG2 3.82Å; L115-P156 HydrophobicContact CB-CB 4.47Å; L115-P156 WeakPolarHBondContact CB-O 3.3Å; L115-P156 HydrophobicContact CG-CB 4.38Å; L115-P156 PolarHBondContact N-O 2.68Å; L115-I159 HydrophobicContact CB-CB 4.01Å; L115-I159 HydrophobicContact CB-CG2 4.1Å; L115-I159 VanDerWaalsContact CB-O 3.26Å; L115-I159 WeakPolarHBondContact CB-O 3.43Å; L115-I159 HydrophobicContact CD2-CB 4.06Å; L115-I159 HydrophobicContact CD2-CD1 4.04Å; L115-I159 HydrophobicContact CD2-CG2 3.85Å; L115-I159 PolarHBondContact N-O 2.83Å; L115-L161 HydrophobicContact CB-CD1 4.37Å; L115-L161 HydrophobicContact CD1-CD1 4.05Å; L115-L226 HydrophobicContact CD1-CD2 4.06Å; L115-L226 HydrophobicContact CD2-CD1 4.44Å; L115-L226 HydrophobicContact CD2-CD2 3.94Å; L115-L226 HydrophobicContact CG-CD2 4.03Å |
| 116 | F | 91.6 | Very high | 91.6 | Very high | 24 Ų | 24 | 38.3 Ų | 38.3 | 11% | 0.105 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -49.3 | 172.6 | -177.3 | -95.4 | 0 | 0 | 0 | 112.4 | E114 Y118 L119 T120 P156 E157 R370 | E114-F116 HydrophobicContact CB-CB 4.42Å; E114-F116 PolarHBondContact O-N 3.4Å; F116-Y118 PolarHBondContact O-N 3.2Å; F116-L119 PolarHBondContact O-N 3.06Å; F116-T120 WeakPolarHBondContact O-CB 3.34Å; F116-T120 PolarHBondContact O-N 3.36Å; F116-T120 PolarHBondContact O-OG1 3.36Å; F116-P156 HydrophobicContact CB-CB 3.96Å; F116-P156 HydrophobicContact CD2-CB 4.45Å; F116-P156 PolarHBondContact N-O 3.33Å; F116-P156 VanDerWaalsContact N-O 3.1Å; F116-E157 HydrophobicContact CB-CG 3.9Å; F116-E157 HydrophobicContact CD2-CG 4.21Å; F116-E157 HydrophobicContact CG-CG 3.99Å; F116-R370 HydrophobicContact CE2-CB 4.08Å; F116-R370 HydrophobicContact CZ-CB 4.07Å |
| 117 | D | 87 | Confident | 91.5 | Very high | 38 Ų | 38 | 39.9 Ų | 39.9 | 20% | 0.203 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.7 | -43.9 | 177.7 | -85.2 | -27.4 | 0 | 0 | 0 | 111 | E114 L119 T120 E121 K363 | E114-D117 PolarHBondContact O-N 2.68Å; D117-L119 PolarHBondContact O-N 2.6Å; D117-T120 PolarHBondContact O-N 3.26Å; D117-T120 VanDerWaalsContact O-N 3.12Å; D117-E121 PolarHBondContact O-N 3.03Å; D117-K363 WeakPolarHBondContact OD1-CE 3.46Å; D117-K363 IonicContact OD1-NZ 2.6Å; D117-K363 PolarHBondContact OD1-NZ 3.19Å; D117-K363 VanDerWaalsContact OD1-NZ 3.12Å; D117-K363 IonicContact OD2-NZ 3.48Å; D117-K363 PolarHBondContact OD2-NZ 3.16Å |
| 118 | Y | 91.3 | Very high | 91.5 | Very high | 27 Ų | 27 | 46.8 Ų | 46.8 | 11% | 0.106 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.5 | -45.3 | 176.7 | -178.4 | -108.1 | 0 | 0 | 0 | 112.3 | E114 L115 F116 T120 E121 K122 L125 E129 L161 M165 | E114-Y118 PolarHBondContact O-N 2.96Å; L115-Y118 HydrophobicContact CD1-CD1 4.14Å; L115-Y118 PolarHBondContact O-N 3.3Å; F116-Y118 PolarHBondContact O-N 3.2Å; Y118-T120 VanDerWaalsContact C-N 3.25Å; Y118-T120 PolarHBondContact O-N 3.19Å; Y118-E121 PolarHBondContact O-N 3.35Å; Y118-K122 HydrophobicContact CD2-CG 4.4Å; Y118-K122 HydrophobicContact CE1-CG 4.16Å; Y118-K122 HydrophobicContact CE2-CD 4.47Å; Y118-K122 HydrophobicContact CE2-CG 3.97Å; Y118-K122 WeakPolarHBondContact O-CB 3.4Å; Y118-K122 WeakPolarHBondContact O-CG 3.13Å; Y118-K122 PolarHBondContact O-N 3.34Å; Y118-K122 WeakPolarHBondContact OH-CE 3.24Å; Y118-L125 HydrophobicContact CD1-CD1 4.45Å; Y118-L125 HydrophobicContact CD1-CD2 4.07Å; Y118-L125 HydrophobicContact CE1-CD1 4.24Å; Y118-L125 HydrophobicContact CE1-CD2 3.58Å; Y118-E129 PolarHBondContact OH-OE1 3.43Å; Y118-L161 HydrophobicContact CD1-CD1 4.02Å; Y118-L161 HydrophobicContact CD2-CD1 4.45Å; Y118-L161 HydrophobicContact CG-CD1 3.75Å; Y118-M165 HydrophobicContact CD1-CE 3.9Å; Y118-M165 HydrophobicContact CD2-CE 3.92Å; Y118-M165 HydrophobicContact CE1-CE 3.45Å; Y118-M165 VanDerWaalsContact CE1-CE 3.45Å; Y118-M165 HydrophobicContact CE2-CE 3.48Å; Y118-M165 VanDerWaalsContact CE2-CE 3.48Å; Y118-M165 HydrophobicContact CE2-SD 4.17Å; Y118-M165 HydrophobicContact CG-CE 4.11Å |
| 119 | L | 91 | Very high | 91.5 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63 | -35 | 175.1 | 178.5 | 64.5 | 0 | 0 | 0 | 111.4 | L115 F116 D117 K122 V123 L125 T225 L226 R370 | L115-L119 WeakPolarHBondContact O-CB 3.43Å; L115-L119 PolarHBondContact O-N 3.17Å; F116-L119 PolarHBondContact O-N 3.06Å; D117-L119 PolarHBondContact O-N 2.6Å; L119-K122 PolarHBondContact O-N 3.27Å; L119-V123 CarbonylContact O-C 3.52Å; L119-V123 VanDerWaalsContact O-CA 3.27Å; L119-V123 WeakPolarHBondContact O-CA 3.5Å; L119-V123 PolarHBondContact O-N 3.32Å; L119-L125 HydrophobicContact CD1-CD2 4.45Å; L119-L125 HydrophobicContact CD1-CG 4.02Å; L119-T225 HydrophobicContact CD2-CG2 3.82Å; L119-L226 HydrophobicContact CD1-CD2 4.34Å; L119-L226 HydrophobicContact CD2-CD2 4.24Å; L119-R370 VanDerWaalsContact C-NH1 3.35Å; L119-R370 PolarHBondContact O-NH1 3.33Å |
| 120 | T | 84.5 | Confident | 91.6 | Very high | 6 Ų | 6 | 47.1 Ų | 47.1 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -71 | -39 | 179.6 | -52.6 | 0 | 0 | 0 | 0 | 112.3 | F116 D117 Y118 F355 R370 L373 | F116-T120 WeakPolarHBondContact O-CB 3.34Å; F116-T120 PolarHBondContact O-N 3.36Å; F116-T120 PolarHBondContact O-OG1 3.36Å; D117-T120 PolarHBondContact O-N 3.26Å; D117-T120 VanDerWaalsContact O-N 3.12Å; Y118-T120 VanDerWaalsContact C-N 3.25Å; Y118-T120 PolarHBondContact O-N 3.19Å; T120-F355 HydrophobicContact CG2-CB 4.31Å; T120-F355 HydrophobicContact CG2-CD1 3.83Å; T120-F355 HydrophobicContact CG2-CD2 3.24Å; T120-F355 HydrophobicContact CG2-CE1 3.84Å; T120-F355 HydrophobicContact CG2-CE2 3.27Å; T120-F355 HydrophobicContact CG2-CG 3.52Å; T120-F355 HydrophobicContact CG2-CZ 3.57Å; T120-R370 VanDerWaalsContact CA-NH1 3.25Å; T120-L373 HydrophobicContact CG2-CD1 4.33Å |
| 121 | E | 85.6 | Confident | 91.7 | Very high | 99 Ų | 99 | 49.4 Ų | 49.4 | 46% | 0.463 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 171 | -168.8 | -165.6 | 147.5 | 0 | 0 | 112.3 | D117 Y118 S352 | D117-E121 PolarHBondContact O-N 3.03Å; Y118-E121 PolarHBondContact O-N 3.35Å; E121-S352 PolarHBondContact O-OG 2.92Å |
| 122 | K | 86.8 | Confident | 91.9 | Very high | 97 Ų | 97 | 45.6 Ų | 45.6 | 42% | 0.422 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -82.6 | -14 | -176 | -65.8 | -64.1 | -177.5 | -174.3 | 0 | 114.6 | Y118 L119 A124 L125 | Y118-K122 HydrophobicContact CD2-CG 4.4Å; Y118-K122 HydrophobicContact CE1-CG 4.16Å; Y118-K122 HydrophobicContact CE2-CD 4.47Å; Y118-K122 HydrophobicContact CE2-CG 3.97Å; Y118-K122 WeakPolarHBondContact O-CB 3.4Å; Y118-K122 WeakPolarHBondContact O-CG 3.13Å; Y118-K122 PolarHBondContact O-N 3.34Å; Y118-K122 WeakPolarHBondContact OH-CE 3.24Å; L119-K122 PolarHBondContact O-N 3.27Å; K122-A124 PolarHBondContact O-N 2.84Å; K122-L125 HydrophobicContact CB-CD2 3.82Å; K122-L125 HydrophobicContact CG-CD2 4.06Å |
| 123 | V | 87 | Confident | 92.2 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 8% | 0.079 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 64.7 | -51.7 | -169.7 | -173.7 | 0 | 0 | 0 | 0 | 113.4 | L119 G229 R348 D351 R370 | L119-V123 CarbonylContact O-C 3.52Å; L119-V123 VanDerWaalsContact O-CA 3.27Å; L119-V123 WeakPolarHBondContact O-CA 3.5Å; L119-V123 PolarHBondContact O-N 3.32Å; V123-G229 WeakPolarHBondContact O-CA 3.44Å; V123-R348 HydrophobicContact CB-CG 4.28Å; V123-R348 HydrophobicContact CG1-CG 4.09Å; V123-D351 HydrophobicContact CG2-CB 3.86Å; V123-R370 PolarHBondContact O-NH2 3.28Å |
| 124 | A | 90.1 | Very high | 92.5 | Very high | 16 Ų | 16 | 40.2 Ų | 40.2 | 13% | 0.132 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -153.2 | 148.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | K122 | K122-A124 PolarHBondContact O-N 2.84Š|
| 125 | L | 93.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | trans | -92.5 | 158.3 | -177.9 | -56 | -171.2 | 0 | 0 | 0 | 112.5 | Y118 L119 K122 E129 T130 I133 L226 R260 | Y118-L125 HydrophobicContact CD1-CD1 4.45Å; Y118-L125 HydrophobicContact CD1-CD2 4.07Å; Y118-L125 HydrophobicContact CE1-CD1 4.24Å; Y118-L125 HydrophobicContact CE1-CD2 3.58Å; L119-L125 HydrophobicContact CD1-CD2 4.45Å; L119-L125 HydrophobicContact CD1-CG 4.02Å; K122-L125 HydrophobicContact CB-CD2 3.82Å; K122-L125 HydrophobicContact CG-CD2 4.06Å; L125-E129 HydrophobicContact CB-CB 4.44Å; L125-T130 WeakPolarHBondContact CB-OG1 3.48Å; L125-I133 HydrophobicContact CD1-CD1 3.63Å; L125-L226 HydrophobicContact CD1-CB 4.42Å; L125-L226 HydrophobicContact CD1-CD2 3.83Å; L125-L226 PolarHBondContact N-O 3.42Å; L125-R260 PolarHBondContact O-NH1 2.99Å; L125-R260 PolarHBondContact O-NH2 3.42Å | ||
| 126 | S | 94.2 | Very high | 92.9 | Very high | 47 Ų | 47 | 40.2 Ų | 40.2 | 33% | 0.329 | 19% | 0.194 | S | C | . | . | trans | -73.4 | 153.4 | 169.1 | 67.2 | 0 | 0 | 0 | 0 | 110.7 | K128 E129 T130 | S126-K128 PolarHBondContact O-N 2.84Å; S126-K128 VanDerWaalsContact O-N 3.14Å; S126-E129 WeakPolarHBondContact CB-OE2 3.26Å; S126-E129 PolarHBondContact N-OE2 3.01Å; S126-E129 PolarHBondContact O-N 2.82Å; S126-E129 VanDerWaalsContact O-N 3.17Å; S126-E129 WeakPolarHBondContact OG-CG 3.33Å; S126-E129 PolarHBondContact OG-N 3.22Å; S126-E129 PolarHBondContact OG-OE2 3.41Å; S126-T130 WeakPolarHBondContact O-CB 3.28Å; S126-T130 PolarHBondContact O-N 3.37Å; S126-T130 PolarHBondContact O-OG1 2.65Å; S126-T130 VanDerWaalsContact O-OG1 3.06Å | ||
| 127 | E | 94.9 | Very high | 93.3 | Very high | 33 Ų | 33 | 39 Ų | 39 | 15% | 0.154 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59 | -28.9 | 175 | -76.3 | -176.4 | -143.9 | 0 | 0 | 112.6 | R131 L227 R260 S261 V264 | E127-R131 WeakPolarHBondContact O-CB 3.31Å; E127-R131 PolarHBondContact O-N 3.06Å; E127-L227 HydrophobicContact CG-CD2 3.9Å; E127-R260 WeakPolarHBondContact OE1-CA 3.47Å; E127-S261 PolarHBondContact OE1-N 3.5Å; E127-S261 PolarHBondContact OE1-OG 2.95Å; E127-S261 PolarHBondContact OE2-OG 2.86Å; E127-V264 HydrophobicContact CG-CG1 4.38Å |
| 128 | K | 94.3 | Very high | 93.8 | Very high | 165 Ų | 165 | 37.2 Ų | 37.2 | 72% | 0.717 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -65.3 | -48.6 | 176.6 | -176.5 | -177.2 | 175.2 | -174.5 | 0 | 111.7 | S126 S132 | S126-K128 PolarHBondContact O-N 2.84Å; S126-K128 VanDerWaalsContact O-N 3.14Å; K128-S132 PolarHBondContact O-N 3.03Å |
| 129 | E | 94.9 | Very high | 94.2 | Very high | 75 Ų | 75 | 39.3 Ų | 39.3 | 35% | 0.35 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.7 | -48 | 177.3 | -71 | 165.5 | 123.6 | 0 | 0 | 110.6 | Y118 L125 S126 R131 S132 I133 | Y118-E129 PolarHBondContact OH-OE1 3.43Å; L125-E129 HydrophobicContact CB-CB 4.44Å; S126-E129 WeakPolarHBondContact CB-OE2 3.26Å; S126-E129 PolarHBondContact N-OE2 3.01Å; S126-E129 PolarHBondContact O-N 2.82Å; S126-E129 VanDerWaalsContact O-N 3.17Å; S126-E129 WeakPolarHBondContact OG-CG 3.33Å; S126-E129 PolarHBondContact OG-N 3.22Å; S126-E129 PolarHBondContact OG-OE2 3.41Å; E129-R131 VanDerWaalsContact C-N 3.28Å; E129-R131 PolarHBondContact O-N 2.74Å; E129-S132 WeakPolarHBondContact O-CB 3.45Å; E129-S132 PolarHBondContact O-N 2.85Å; E129-I133 PolarHBondContact O-N 3.02Å |
| 130 | T | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.6 | -41.6 | 177.3 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | L125 S126 S132 I133 M134 L223 L226 L227 | L125-T130 WeakPolarHBondContact CB-OG1 3.48Å; S126-T130 WeakPolarHBondContact O-CB 3.28Å; S126-T130 PolarHBondContact O-N 3.37Å; S126-T130 PolarHBondContact O-OG1 2.65Å; S126-T130 VanDerWaalsContact O-OG1 3.06Å; T130-S132 VanDerWaalsContact C-N 3.32Å; T130-S132 PolarHBondContact O-N 3.37Å; T130-I133 PolarHBondContact O-N 3.3Å; T130-M134 HydrophobicContact CG2-CG 3.97Å; T130-M134 VanDerWaalsContact O-CB 3.31Å; T130-M134 WeakPolarHBondContact O-CB 3.4Å; T130-M134 VanDerWaalsContact O-CG 3.31Å; T130-M134 WeakPolarHBondContact O-CG 3.45Å; T130-M134 PolarHBondContact O-N 3.4Å; T130-L223 HydrophobicContact CG2-CD1 3.41Å; T130-L223 VanDerWaalsContact CG2-CD1 3.41Å; T130-L226 HydrophobicContact CG2-CB 4.06Å; T130-L226 HydrophobicContact CG2-CD1 4.12Å; T130-L227 HydrophobicContact CG2-CD2 4.02Å; T130-L227 HydrophobicContact CG2-CG 4.05Å; T130-L227 WeakPolarHBondContact OG1-CD2 3.31Å |
| 131 | R | 97.3 | Very high | 95.2 | Very high | 67 Ų | 67 | 39 Ų | 39 | 25% | 0.253 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.2 | -39.8 | 175.5 | -175.8 | -172.4 | -64.4 | 105.7 | 3.9 | 112.7 | E127 E129 R135 F290 F291 | E127-R131 WeakPolarHBondContact O-CB 3.31Å; E127-R131 PolarHBondContact O-N 3.06Å; E129-R131 VanDerWaalsContact C-N 3.28Å; E129-R131 PolarHBondContact O-N 2.74Å; R131-R135 VanDerWaalsContact O-CB 3.32Å; R131-R135 WeakPolarHBondContact O-CB 3.29Å; R131-R135 PolarHBondContact O-N 2.72Å; R131-F290 HydrophobicContact CB-CE1 3.77Å; R131-F290 HydrophobicContact CB-CE2 4.49Å; R131-F290 HydrophobicContact CB-CZ 3.7Å; R131-F290 VanDerWaalsContact CD-O 3.24Å; R131-F290 WeakPolarHBondContact CD-O 3.39Å; R131-F290 HydrophobicContact CG-CD1 4.36Å; R131-F290 HydrophobicContact CG-CE1 3.99Å; R131-F290 HydrophobicContact CG-CZ 4.26Å; R131-F290 PolarHBondContact NE-O 2.8Å; R131-F291 HydrophobicContact CG-CD1 3.91Å; R131-F291 HydrophobicContact CG-CE1 4.34Å |
| 132 | S | 96.3 | Very high | 95.9 | Very high | 52 Ų | 52 | 35.3 Ų | 35.3 | 36% | 0.364 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -67.1 | -46.6 | 178.5 | -162.1 | 0 | 0 | 0 | 0 | 111.5 | K128 E129 T130 S136 | K128-S132 PolarHBondContact O-N 3.03Å; E129-S132 WeakPolarHBondContact O-CB 3.45Å; E129-S132 PolarHBondContact O-N 2.85Å; T130-S132 VanDerWaalsContact C-N 3.32Å; T130-S132 PolarHBondContact O-N 3.37Å; S132-S136 PolarHBondContact O-N 2.85Å; S132-S136 PolarHBondContact O-OG 3.29Å |
| 133 | I | 98.1 | Very high | 96.4 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 5% | 0.046 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.2 | -51.2 | 179 | -70.8 | 163.9 | 0 | 0 | 0 | 110.4 | L115 L125 E129 T130 R135 S136 L137 I167 L226 | L115-I133 HydrophobicContact CD1-CD1 3.9Å; L115-I133 HydrophobicContact CD2-CG2 3.82Å; L125-I133 HydrophobicContact CD1-CD1 3.63Å; E129-I133 PolarHBondContact O-N 3.02Å; T130-I133 PolarHBondContact O-N 3.3Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 2.97Å; I133-S136 PolarHBondContact O-N 2.77Å; I133-L137 PolarHBondContact O-N 3.31Å; I133-I167 HydrophobicContact CG1-CG2 4.22Å; I133-I167 HydrophobicContact CG2-CG2 4.15Å; I133-L226 HydrophobicContact CG2-CD1 3.95Å |
| 134 | M | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.9 | -32.6 | -177.4 | -71 | -52.9 | -56.8 | 0 | 0 | 113.3 | T130 L137 L138 C219 I222 L223 L226 F291 | T130-M134 HydrophobicContact CG2-CG 3.97Å; T130-M134 VanDerWaalsContact O-CB 3.31Å; T130-M134 WeakPolarHBondContact O-CB 3.4Å; T130-M134 VanDerWaalsContact O-CG 3.31Å; T130-M134 WeakPolarHBondContact O-CG 3.45Å; T130-M134 PolarHBondContact O-N 3.4Å; M134-L137 HydrophobicContact CE-CD2 3.92Å; M134-L137 PolarHBondContact O-N 2.88Å; M134-L137 HydrophobicContact SD-CD2 4.03Å; M134-L138 WeakPolarHBondContact O-CB 3.43Å; M134-L138 VanDerWaalsContact O-CG 3.28Å; M134-L138 WeakPolarHBondContact O-CG 3.28Å; M134-L138 PolarHBondContact O-N 2.72Å; M134-C219 HydrophobicContact CE-CB 4.05Å; M134-C219 WeakPolarHBondContact CE-O 3.48Å; M134-I222 HydrophobicContact SD-CG2 3.94Å; M134-L223 HydrophobicContact CE-CB 4.01Å; M134-L223 HydrophobicContact CG-CB 4.27Å; M134-L223 HydrophobicContact CG-CD1 3.98Å; M134-L223 HydrophobicContact SD-CB 4.05Å; M134-L226 HydrophobicContact CG-CD1 4.45Å; M134-L226 HydrophobicContact SD-CD1 4.05Å; M134-F291 HydrophobicContact CB-CE1 3.9Å; M134-F291 HydrophobicContact CB-CZ 3.87Å |
| 135 | R | 98.3 | Very high | 97.4 | Very high | 64 Ų | 64 | 32.7 Ų | 32.7 | 24% | 0.242 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.9 | -52.2 | 173.9 | -179.8 | 178.6 | -63.8 | 114.5 | -1.4 | 110.1 | R131 I133 L137 L138 E139 L286 F291 | R131-R135 VanDerWaalsContact O-CB 3.32Å; R131-R135 WeakPolarHBondContact O-CB 3.29Å; R131-R135 PolarHBondContact O-N 2.72Å; I133-R135 VanDerWaalsContact C-N 3.34Å; I133-R135 PolarHBondContact O-N 2.97Å; R135-L137 VanDerWaalsContact C-N 3.26Å; R135-L137 PolarHBondContact O-N 3.19Å; R135-L138 PolarHBondContact O-N 3.18Å; R135-E139 WeakPolarHBondContact CD-OE1 3.43Å; R135-E139 HydrophobicContact CG-CG 4.41Å; R135-E139 VanDerWaalsContact CG-OE1 3.26Å; R135-E139 WeakPolarHBondContact CG-OE1 3.31Å; R135-E139 WeakPolarHBondContact O-CB 3.29Å; R135-E139 WeakPolarHBondContact O-CG 3.4Å; R135-E139 PolarHBondContact O-N 2.73Å; R135-L286 HydrophobicContact CG-CD2 3.99Å; R135-F291 HydrophobicContact CB-CD1 3.84Å; R135-F291 HydrophobicContact CB-CE1 3.92Å; R135-F291 HydrophobicContact CG-CD1 4.49Å; R135-F291 PolarHBondContact NH2-O 2.96Å |
| 136 | S | 98.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 36 Ų | 36 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -38.5 | -179.7 | -50.4 | 0 | 0 | 0 | 0 | 111.5 | S132 I133 A140 I167 | S132-S136 PolarHBondContact O-N 2.85Å; S132-S136 PolarHBondContact O-OG 3.29Å; I133-S136 PolarHBondContact O-N 2.77Å; S136-A140 PolarHBondContact O-N 3.42Å; S136-I167 VanDerWaalsContact CB-CG1 3.44Å |
| 137 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.6 | -48.1 | 177.9 | 178.8 | 61.5 | 0 | 0 | 0 | 111.1 | I133 M134 R135 E139 A140 V141 I159 I167 L169 I222 | I133-L137 PolarHBondContact O-N 3.31Å; M134-L137 HydrophobicContact CE-CD2 3.92Å; M134-L137 PolarHBondContact O-N 2.88Å; M134-L137 HydrophobicContact SD-CD2 4.03Å; R135-L137 VanDerWaalsContact C-N 3.26Å; R135-L137 PolarHBondContact O-N 3.19Å; L137-E139 VanDerWaalsContact C-N 3.32Å; L137-E139 PolarHBondContact O-N 3.37Å; L137-A140 WeakPolarHBondContact O-CB 3.22Å; L137-A140 PolarHBondContact O-N 3.23Å; L137-V141 HydrophobicContact CD1-CG2 4.36Å; L137-V141 WeakPolarHBondContact O-CG2 3.38Å; L137-V141 PolarHBondContact O-N 3.29Å; L137-I159 HydrophobicContact CD1-CD1 3.94Å; L137-I159 HydrophobicContact CD1-CG1 4.35Å; L137-I159 HydrophobicContact CD2-CD1 3.86Å; L137-I159 HydrophobicContact CG-CD1 4.49Å; L137-I167 HydrophobicContact CB-CD1 3.86Å; L137-L169 HydrophobicContact CD1-CD1 4.41Å; L137-I222 HydrophobicContact CD2-CD1 3.99Å; L137-I222 HydrophobicContact CD2-CG2 4.3Å |
| 138 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.2 | -32.6 | 178.9 | -70.9 | 168.6 | 0 | 0 | 0 | 112.3 | M134 R135 V141 S142 L216 C219 A285 L286 F291 | M134-L138 WeakPolarHBondContact O-CB 3.43Å; M134-L138 VanDerWaalsContact O-CG 3.28Å; M134-L138 WeakPolarHBondContact O-CG 3.28Å; M134-L138 PolarHBondContact O-N 2.72Å; R135-L138 PolarHBondContact O-N 3.18Å; L138-V141 PolarHBondContact O-N 3.1Å; L138-S142 VanDerWaalsContact O-CB 3.29Å; L138-S142 WeakPolarHBondContact O-CB 3.4Å; L138-S142 PolarHBondContact O-N 3.19Å; L138-L216 HydrophobicContact CD2-CD1 3.83Å; L138-C219 HydrophobicContact CD2-CB 4.25Å; L138-A285 HydrophobicContact CD1-CB 3.84Å; L138-A285 HydrophobicContact CD2-CB 4.12Å; L138-L286 HydrophobicContact CB-CD1 4.34Å; L138-L286 HydrophobicContact CB-CD2 3.74Å; L138-L286 HydrophobicContact CB-CG 3.81Å; L138-L286 HydrophobicContact CD1-CD2 4.49Å; L138-F291 HydrophobicContact CD1-CE1 4.5Å; L138-F291 HydrophobicContact CD1-CE2 3.51Å; L138-F291 HydrophobicContact CD1-CZ 3.44Å; L138-F291 VanDerWaalsContact CD1-CZ 3.44Å |
| 139 | E | 98.7 | Very high | 98.1 | Very high | 70 Ų | 70 | 29.4 Ų | 29.4 | 33% | 0.327 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.5 | -45.1 | 170.9 | -75.9 | 167.5 | -179.4 | 0 | 0 | 111.1 | H89 R135 L137 F143 L286 | H89-E139 IonicContact CD2-OE2 4Å; H89-E139 PolarHBondContact CD2-OE2 3.23Å; H89-E139 IonicContact NE2-OE2 3.61Å; H89-E139 PolarHBondContact NE2-OE2 3.16Å; R135-E139 WeakPolarHBondContact CD-OE1 3.43Å; R135-E139 HydrophobicContact CG-CG 4.41Å; R135-E139 VanDerWaalsContact CG-OE1 3.26Å; R135-E139 WeakPolarHBondContact CG-OE1 3.31Å; R135-E139 WeakPolarHBondContact O-CB 3.29Å; R135-E139 WeakPolarHBondContact O-CG 3.4Å; R135-E139 PolarHBondContact O-N 2.73Å; L137-E139 VanDerWaalsContact C-N 3.32Å; L137-E139 PolarHBondContact O-N 3.37Å; E139-F143 WeakPolarHBondContact O-CB 3.48Å; E139-F143 PolarHBondContact O-N 3.48Å; E139-L286 HydrophobicContact CG-CD1 4.03Å; E139-L286 HydrophobicContact CG-CD2 3.96Å |
| 140 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.8 | -45.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H89 I90 S136 L137 F143 L144 L169 | H89-A140 HydrophobicContact CB-CB 4.05Å; I90-A140 HydrophobicContact CD1-CB 4.36Å; I90-A140 HydrophobicContact CG1-CB 3.92Å; S136-A140 PolarHBondContact O-N 3.42Å; L137-A140 WeakPolarHBondContact O-CB 3.22Å; L137-A140 PolarHBondContact O-N 3.23Å; A140-F143 WeakPolarHBondContact O-CB 3.5Å; A140-F143 PolarHBondContact O-N 3.28Å; A140-L144 WeakPolarHBondContact O-CG 3.26Å; A140-L144 PolarHBondContact O-N 2.77Å; A140-L169 HydrophobicContact CB-CD2 4.36Å |
| 141 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 179.5 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | L137 L138 F143 L144 H145 L154 D215 L216 A282 | L137-V141 HydrophobicContact CD1-CG2 4.36Å; L137-V141 WeakPolarHBondContact O-CG2 3.38Å; L137-V141 PolarHBondContact O-N 3.29Å; L138-V141 PolarHBondContact O-N 3.1Å; V141-F143 VanDerWaalsContact C-N 3.3Å; V141-F143 PolarHBondContact O-N 3.08Å; V141-L144 PolarHBondContact O-N 2.84Å; V141-H145 VanDerWaalsContact CG1-CE1 3.49Å; V141-H145 WeakPolarHBondContact CG1-CE1 3.35Å; V141-H145 WeakPolarHBondContact O-CB 3.49Å; V141-H145 PolarHBondContact O-CD2 3.4Å; V141-H145 VanDerWaalsContact O-CG 3.31Å; V141-H145 PolarHBondContact O-N 3.44Å; V141-L154 HydrophobicContact CG2-CD1 3.7Å; V141-D215 HydrophobicContact CG1-CB 4.14Å; V141-L216 HydrophobicContact CG1-CD2 4.02Å; V141-A282 HydrophobicContact CG1-CB 4.17Å |
| 142 | S | 98.7 | Very high | 98.3 | Very high | 23 Ų | 23 | 23.4 Ų | 23.4 | 16% | 0.161 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.9 | -43.3 | 174.3 | 178 | 0 | 0 | 0 | 0 | 111.1 | L138 H145 A146 E283 | L138-S142 VanDerWaalsContact O-CB 3.29Å; L138-S142 WeakPolarHBondContact O-CB 3.4Å; L138-S142 PolarHBondContact O-N 3.19Å; S142-H145 PolarHBondContact O-N 3.14Å; S142-A146 WeakPolarHBondContact O-CB 3.3Å; S142-A146 PolarHBondContact O-N 2.95Å; S142-E283 PolarHBondContact OG-OE1 3.34Å |
| 143 | F | 98.8 | Very high | 98.3 | Very high | 61 Ų | 61 | 21.2 Ų | 21.2 | 27% | 0.268 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 174.7 | 173.5 | -96 | 0 | 0 | 0 | 112.7 | V84 H87 I90 E139 A140 V141 A146 N147 | V84-F143 HydrophobicContact CB-CE1 3.93Å; V84-F143 HydrophobicContact CG1-CE1 4.12Å; H87-F143 HydrophobicContact CB-CD1 4.08Å; H87-F143 HydrophobicContact CB-CE1 4.02Å; H87-F143 HydrophobicContact CB-CZ 4.41Å; H87-F143 AromaticContact CD2-CD1 3.82Å; H87-F143 AromaticContact CD2-CD2 3.75Å; H87-F143 AromaticContact CD2-CG 3.43Å; H87-F143 VanDerWaalsContact CD2-CG 3.43Å; H87-F143 WeakPolarHBondContact CD2-CG 3.4Å; H87-F143 AromaticContact CG-CD1 3.99Å; I90-F143 HydrophobicContact CD1-CD1 3.65Å; I90-F143 HydrophobicContact CD1-CE1 4.08Å; E139-F143 WeakPolarHBondContact O-CB 3.48Å; E139-F143 PolarHBondContact O-N 3.48Å; A140-F143 WeakPolarHBondContact O-CB 3.5Å; A140-F143 PolarHBondContact O-N 3.28Å; V141-F143 VanDerWaalsContact C-N 3.3Å; V141-F143 PolarHBondContact O-N 3.08Å; F143-A146 PolarHBondContact O-N 3.3Å; F143-N147 WeakPolarHBondContact CE2-ND2 3.37Å; F143-N147 PolarHBondContact O-N 2.83Å; F143-N147 PolarHBondContact O-ND2 3.15Å |
| 144 | L | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.7 | -48.2 | 175.7 | -68 | -179.4 | 0 | 0 | 0 | 111.4 | V84 I90 A140 V141 A146 N147 N148 I149 H151 L169 F172 | V84-L144 HydrophobicContact CB-CD2 4.31Å; V84-L144 HydrophobicContact CG1-CD2 3.5Å; V84-L144 VanDerWaalsContact CG1-CD2 3.5Å; I90-L144 HydrophobicContact CD1-CD2 3.79Å; I90-L144 HydrophobicContact CD1-CG 4.12Å; A140-L144 WeakPolarHBondContact O-CG 3.26Å; A140-L144 PolarHBondContact O-N 2.77Å; V141-L144 PolarHBondContact O-N 2.84Å; L144-A146 VanDerWaalsContact C-N 3.28Å; L144-A146 PolarHBondContact O-N 2.94Å; L144-N147 CarbonylContact O-C 3.51Å; L144-N147 WeakPolarHBondContact O-CA 3.44Å; L144-N147 PolarHBondContact O-N 3.17Å; L144-N148 PolarHBondContact O-N 2.9Å; L144-I149 CarbonylContact C-O 3.5Å; L144-I149 HydrophobicContact CB-CB 4.3Å; L144-I149 HydrophobicContact CB-CG2 4.46Å; L144-I149 HydrophobicContact CD2-CB 4.38Å; L144-I149 HydrophobicContact CD2-CG2 4.12Å; L144-I149 PolarHBondContact O-N 2.97Å; L144-H151 HydrophobicContact CD1-CB 4.28Å; L144-L169 HydrophobicContact CD1-CD2 3.85Å; L144-F172 HydrophobicContact CD1-CE1 3.85Å; L144-F172 HydrophobicContact CD1-CZ 4.31Å; L144-F172 HydrophobicContact CD2-CE1 3.74Å; L144-F172 HydrophobicContact CD2-CZ 4.27Å; L144-F172 HydrophobicContact CG-CE1 4.46Å |
| 145 | H | 98.4 | Very high | 98.2 | Very high | 9 Ų | 9 | 22.3 Ų | 22.3 | 4% | 0.042 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.8 | -30.1 | -177.2 | -70.4 | -169.4 | 0 | 0 | 0 | 112.7 | V141 S142 N147 N148 I149 R212 D215 L216 | V141-H145 VanDerWaalsContact CG1-CE1 3.49Å; V141-H145 WeakPolarHBondContact CG1-CE1 3.35Å; V141-H145 WeakPolarHBondContact O-CB 3.49Å; V141-H145 PolarHBondContact O-CD2 3.4Å; V141-H145 VanDerWaalsContact O-CG 3.31Å; V141-H145 PolarHBondContact O-N 3.44Å; S142-H145 PolarHBondContact O-N 3.14Å; H145-N147 VanDerWaalsContact C-N 3.27Å; H145-N148 PolarHBondContact O-N 3.32Å; H145-I149 PolarHBondContact CD2-O 3.33Å; H145-I149 VanDerWaalsContact CD2-O 3.31Å; H145-R212 PolarHBondContact CE1-O 3.25Å; H145-R212 PolarHBondContact O-NH1 3.47Å; H145-D215 IonicContact CD2-OD2 3.25Å; H145-D215 IonicContact CE1-OD2 3.47Å; H145-D215 IonicContact NE2-OD2 2.77Å; H145-D215 PolarHBondContact NE2-OD2 2.89Å; H145-L216 WeakPolarHBondContact CE1-CD2 3.46Å |
| 146 | A | 97.9 | Very high | 98.1 | Very high | 73 Ų | 73 | 19.2 Ų | 19.2 | 60% | 0.603 | 11% | 0.108 | S | C | * | . | H | α-helix | trans | -70.5 | -23.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | S142 F143 L144 N148 | S142-A146 WeakPolarHBondContact O-CB 3.3Å; S142-A146 PolarHBondContact O-N 2.95Å; F143-A146 PolarHBondContact O-N 3.3Å; L144-A146 VanDerWaalsContact C-N 3.28Å; L144-A146 PolarHBondContact O-N 2.94Å; A146-N148 VanDerWaalsContact C-N 3.35Å |
| 147 | N | 97.9 | Very high | 97.9 | Very high | 68 Ų | 68 | 21.1 Ų | 21.1 | 36% | 0.364 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 19 | 173.6 | -70.4 | -84.7 | 0 | 0 | 0 | 112.3 | F143 L144 H145 I149 | F143-N147 WeakPolarHBondContact CE2-ND2 3.37Å; F143-N147 PolarHBondContact O-N 2.83Å; F143-N147 PolarHBondContact O-ND2 3.15Å; L144-N147 CarbonylContact O-C 3.51Å; L144-N147 WeakPolarHBondContact O-CA 3.44Å; L144-N147 PolarHBondContact O-N 3.17Å; H145-N147 VanDerWaalsContact C-N 3.27Å; N147-I149 HydrophobicContact CB-CD1 4Å; N147-I149 PolarHBondContact O-N 2.89Å |
| 148 | N | 98.1 | Very high | 97.7 | Very high | 39 Ų | 39 | 21.6 Ų | 21.6 | 21% | 0.209 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 29 | -178.1 | -62.8 | -21.7 | 0 | 0 | 0 | 113.7 | L144 H145 A146 H177 L178 E179 | L144-N148 PolarHBondContact O-N 2.9Å; H145-N148 PolarHBondContact O-N 3.32Å; A146-N148 VanDerWaalsContact C-N 3.35Å; N148-H177 CarbonylContact O-C 3.6Å; N148-H177 VanDerWaalsContact O-CA 3.25Å; N148-H177 WeakPolarHBondContact O-CA 3.14Å; N148-L178 WeakPolarHBondContact CB-O 3.4Å; N148-L178 PolarHBondContact O-N 2.97Å; N148-E179 PolarHBondContact ND2-OE1 3.4Å; N148-E179 PolarHBondContact ND2-OE2 3.08Å |
| 149 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 132.3 | 178.2 | -64.9 | 156.4 | 0 | 0 | 0 | 109.3 | I80 V84 L144 H145 N147 C176 | I80-I149 HydrophobicContact CG2-CD1 4.22Å; I80-I149 HydrophobicContact CG2-CG2 4.08Å; V84-I149 HydrophobicContact CG1-CD1 3.68Å; L144-I149 CarbonylContact C-O 3.5Å; L144-I149 HydrophobicContact CB-CB 4.3Å; L144-I149 HydrophobicContact CB-CG2 4.46Å; L144-I149 HydrophobicContact CD2-CB 4.38Å; L144-I149 HydrophobicContact CD2-CG2 4.12Å; L144-I149 PolarHBondContact O-N 2.97Å; H145-I149 PolarHBondContact CD2-O 3.33Å; H145-I149 VanDerWaalsContact CD2-O 3.31Å; N147-I149 HydrophobicContact CB-CD1 4Å; N147-I149 PolarHBondContact O-N 2.89Å; I149-C176 WeakPolarHBondContact CA-O 3.43Å |
| 150 | V | 98.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.012 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 132.9 | 171.6 | -172.7 | 0 | 0 | 0 | 0 | 108.9 | R152 S175 C176 L178 R212 V214 D215 | V150-R152 HydrophobicContact CB-CG 4.24Å; V150-R152 HydrophobicContact CG1-CG 3.65Å; V150-S175 VanDerWaalsContact O-CA 3.24Å; V150-S175 WeakPolarHBondContact O-CA 3.24Å; V150-C176 PolarHBondContact N-O 3.25Å; V150-C176 PolarHBondContact O-N 3.34Å; V150-L178 HydrophobicContact CG2-CB 3.89Å; V150-L178 HydrophobicContact CG2-CD2 3.81Å; V150-R212 HydrophobicContact CG2-CB 3.73Å; V150-V214 HydrophobicContact CG1-CG2 4.02Å; V150-D215 WeakPolarHBondContact CG1-OD2 3.31Å |
| 151 | H | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -81 | -42.9 | -174.1 | -171.2 | -58.6 | 0 | 0 | 0 | 113.2 | L144 D153 L154 S170 D171 F174 S175 D215 | L144-H151 HydrophobicContact CD1-CB 4.28Å; H151-D153 PolarHBondContact ND1-N 2.88Å; H151-D153 PolarHBondContact O-N 2.84Å; H151-D153 VanDerWaalsContact O-N 3.11Å; H151-L154 HydrophobicContact CB-CD2 3.85Å; H151-L154 HydrophobicContact CB-CG 4.07Å; H151-L154 VanDerWaalsContact CG-CD2 3.49Å; H151-S170 PolarHBondContact NE2-O 2.83Å; H151-D171 PolarHBondContact CE1-O 2.83Å; H151-D171 PolarHBondContact NE2-O 3.37Å; H151-F174 CarbonylContact O-C 3.53Å; H151-S175 WeakPolarHBondContact CA-OG 3.4Å; H151-S175 PolarHBondContact O-OG 3.5Å; H151-D215 PolarHBondContact N-OD1 3.3Å; H151-D215 PolarHBondContact N-OD2 3.27Å | ||
| 152 | R | 97.4 | Very high | 97.2 | Very high | 14 Ų | 14 | 21.5 Ų | 21.5 | 5% | 0.053 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 66.9 | -1.3 | 175.6 | -51.8 | -168.1 | -68 | 165.2 | 2 | 117.7 | V150 F174 E186 C188 Y210 D215 | V150-R152 HydrophobicContact CB-CG 4.24Å; V150-R152 HydrophobicContact CG1-CG 3.65Å; R152-F174 HydrophobicContact CB-CB 4.38Å; R152-F174 PolarHBondContact NE-O 2.87Å; R152-F174 PolarHBondContact NH2-O 3.09Å; R152-E186 IonicContact CZ-OE2 3.18Å; R152-E186 IonicContact NH1-OE2 2.76Å; R152-E186 PolarHBondContact NH1-OE2 3.45Å; R152-E186 IonicContact NH2-OE2 3.97Å; R152-E186 PolarHBondContact NH2-OE2 3.4Å; R152-E186 VanDerWaalsContact NH2-OE2 3.15Å; R152-C188 VanDerWaalsContact CZ-SG 3.53Å; R152-C188 PolarHBondContact NH1-SG 2.86Å; R152-Y210 PolarHBondContact NH1-OH 2.88Å; R152-D215 PolarHBondContact N-OD1 3.46Å |
| 153 | D | 96.7 | Very high | 96.7 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 3% | 0.027 | 14% | 0.136 | C | C | . | . | trans | -146.4 | 47.2 | 176.8 | -164.2 | 40.9 | 0 | 0 | 0 | 112.1 | H151 K155 N158 F174 G189 T190 | H151-D153 PolarHBondContact ND1-N 2.88Å; H151-D153 PolarHBondContact O-N 2.84Å; H151-D153 VanDerWaalsContact O-N 3.11Å; D153-K155 PolarHBondContact O-N 2.84Å; D153-K155 IonicContact OD1-NZ 3.45Å; D153-K155 IonicContact OD2-NZ 3.74Å; D153-K155 PolarHBondContact OD2-NZ 2.81Å; D153-N158 PolarHBondContact O-ND2 3.38Å; D153-N158 PolarHBondContact OD2-ND2 3.41Å; D153-N158 VanDerWaalsContact OD2-ND2 3.17Å; D153-F174 HydrophobicContact CB-CB 4.29Å; D153-F174 HydrophobicContact CB-CD2 3.66Å; D153-F174 HydrophobicContact CB-CE2 4.49Å; D153-F174 HydrophobicContact CB-CG 4.36Å; D153-G189 WeakPolarHBondContact OD1-CA 3.47Å; D153-T190 WeakPolarHBondContact OD1-CB 3.13Å; D153-T190 PolarHBondContact OD1-N 2.96Å; D153-T190 PolarHBondContact OD1-OG1 2.93Å | ||
| 154 | L | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | trans | -71.9 | 120.6 | 174.2 | -63.7 | -179.2 | 0 | 0 | 0 | 110.6 | V141 H151 L169 D215 A218 I222 | V141-L154 HydrophobicContact CG2-CD1 3.7Å; H151-L154 HydrophobicContact CB-CD2 3.85Å; H151-L154 HydrophobicContact CB-CG 4.07Å; H151-L154 VanDerWaalsContact CG-CD2 3.49Å; L154-L169 HydrophobicContact CD2-CD1 3.48Å; L154-L169 VanDerWaalsContact CD2-CD1 3.48Å; L154-L169 HydrophobicContact CD2-CD2 3.85Å; L154-L169 HydrophobicContact CD2-CG 4.28Å; L154-D215 HydrophobicContact CD1-CB 3.63Å; L154-D215 WeakPolarHBondContact CD1-O 3.18Å; L154-A218 HydrophobicContact CB-CB 3.78Å; L154-I222 HydrophobicContact CB-CD1 4.13Å | ||
| 155 | K | 96.4 | Very high | 96 | Very high | 31 Ų | 31 | 30.2 Ų | 30.2 | 14% | 0.135 | 17% | 0.166 | C | C | . | . | trans | -157.2 | 159.7 | 177.5 | 63.3 | -168.4 | -173.9 | -147.5 | 0 | 110.6 | D153 E157 N158 T190 Y193 | D153-K155 PolarHBondContact O-N 2.84Å; D153-K155 IonicContact OD1-NZ 3.45Å; D153-K155 IonicContact OD2-NZ 3.74Å; D153-K155 PolarHBondContact OD2-NZ 2.81Å; K155-E157 VanDerWaalsContact CB-OE2 3.31Å; K155-E157 WeakPolarHBondContact CB-OE2 3.22Å; K155-E157 HydrophobicContact CD-CB 4.36Å; K155-E157 HydrophobicContact CG-CB 4.09Å; K155-E157 VanDerWaalsContact CG-OE2 3.3Å; K155-E157 WeakPolarHBondContact CG-OE2 3.38Å; K155-E157 PolarHBondContact O-N 2.78Å; K155-E157 VanDerWaalsContact O-N 3.15Å; K155-N158 WeakPolarHBondContact CE-ND2 3.32Å; K155-N158 WeakPolarHBondContact CE-OD1 3.07Å; K155-N158 HydrophobicContact CG-CB 4.1Å; K155-N158 PolarHBondContact O-N 3.48Å; K155-T190 HydrophobicContact CD-CG2 4.33Å; K155-T190 VanDerWaalsContact CD-OG1 3.24Å; K155-T190 WeakPolarHBondContact CD-OG1 3.33Å; K155-T190 PolarHBondContact NZ-OG1 3.32Å; K155-Y193 HydrophobicContact CB-CD1 4.26Å; K155-Y193 HydrophobicContact CB-CD2 3.83Å; K155-Y193 HydrophobicContact CB-CE1 4.16Å; K155-Y193 HydrophobicContact CB-CE2 3.68Å; K155-Y193 HydrophobicContact CB-CG 4.13Å | ||
| 156 | P | 96.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | G | 310 helix | trans | -57.9 | -25.4 | -179.5 | -25.5 | 36.6 | 0 | 0 | 0 | 114.9 | L115 F116 N158 I159 Y193 I222 | L115-P156 HydrophobicContact CB-CB 4.47Å; L115-P156 WeakPolarHBondContact CB-O 3.3Å; L115-P156 HydrophobicContact CG-CB 4.38Å; L115-P156 PolarHBondContact N-O 2.68Å; F116-P156 HydrophobicContact CB-CB 3.96Å; F116-P156 HydrophobicContact CD2-CB 4.45Å; F116-P156 PolarHBondContact N-O 3.33Å; F116-P156 VanDerWaalsContact N-O 3.1Å; P156-N158 VanDerWaalsContact C-N 3.3Å; P156-I159 PolarHBondContact O-N 3.47Å; P156-Y193 VanDerWaalsContact CD-CZ 3.45Å; P156-Y193 WeakPolarHBondContact CD-OH 3.28Å; P156-I222 HydrophobicContact CG-CG1 4.35Å |
| 157 | E | 92.9 | Very high | 95.8 | Very high | 47 Ų | 47 | 30 Ų | 30 | 22% | 0.22 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -66.9 | -32.9 | 174.9 | -59.3 | 86.3 | 156.6 | 0 | 0 | 111.2 | E114 F116 K155 I159 | E114-E157 WeakPolarHBondContact CG-O 3.48Å; F116-E157 HydrophobicContact CB-CG 3.9Å; F116-E157 HydrophobicContact CD2-CG 4.21Å; F116-E157 HydrophobicContact CG-CG 3.99Å; K155-E157 VanDerWaalsContact CB-OE2 3.31Å; K155-E157 WeakPolarHBondContact CB-OE2 3.22Å; K155-E157 HydrophobicContact CD-CB 4.36Å; K155-E157 HydrophobicContact CG-CB 4.09Å; K155-E157 VanDerWaalsContact CG-OE2 3.3Å; K155-E157 WeakPolarHBondContact CG-OE2 3.38Å; K155-E157 PolarHBondContact O-N 2.78Å; K155-E157 VanDerWaalsContact O-N 3.15Å; E157-I159 VanDerWaalsContact C-N 3.33Å; E157-I159 PolarHBondContact O-N 2.69Å |
| 158 | N | 95.6 | Very high | 95.9 | Very high | 11 Ų | 11 | 29.3 Ų | 29.3 | 6% | 0.059 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -91 | 5.9 | -178.4 | -69 | -0.9 | 0 | 0 | 0 | 112.9 | D153 K155 P156 S170 D171 | D153-N158 PolarHBondContact O-ND2 3.38Å; D153-N158 PolarHBondContact OD2-ND2 3.41Å; D153-N158 VanDerWaalsContact OD2-ND2 3.17Å; K155-N158 WeakPolarHBondContact CE-ND2 3.32Å; K155-N158 WeakPolarHBondContact CE-OD1 3.07Å; K155-N158 HydrophobicContact CG-CB 4.1Å; K155-N158 PolarHBondContact O-N 3.48Å; P156-N158 VanDerWaalsContact C-N 3.3Å; N158-S170 PolarHBondContact O-N 3.44Å; N158-S170 PolarHBondContact O-OG 2.95Å; N158-D171 HydrophobicContact CB-CB 4.34Å |
| 159 | I | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 112.6 | 177.6 | -60 | 167.9 | 0 | 0 | 0 | 108.4 | L115 L137 P156 E157 I167 L169 I222 | L115-I159 HydrophobicContact CB-CB 4.01Å; L115-I159 HydrophobicContact CB-CG2 4.1Å; L115-I159 VanDerWaalsContact CB-O 3.26Å; L115-I159 WeakPolarHBondContact CB-O 3.43Å; L115-I159 HydrophobicContact CD2-CB 4.06Å; L115-I159 HydrophobicContact CD2-CD1 4.04Å; L115-I159 HydrophobicContact CD2-CG2 3.85Å; L115-I159 PolarHBondContact N-O 2.83Å; L137-I159 HydrophobicContact CD1-CD1 3.94Å; L137-I159 HydrophobicContact CD1-CG1 4.35Å; L137-I159 HydrophobicContact CD2-CD1 3.86Å; L137-I159 HydrophobicContact CG-CD1 4.49Å; P156-I159 PolarHBondContact O-N 3.47Å; E157-I159 VanDerWaalsContact C-N 3.33Å; E157-I159 PolarHBondContact O-N 2.69Å; I159-I167 HydrophobicContact CG2-CB 3.66Å; I159-I167 HydrophobicContact CG2-CD1 3.91Å; I159-I167 HydrophobicContact CG2-CG1 4.43Å; I159-I167 HydrophobicContact CG2-CG2 3.65Å; I159-L169 HydrophobicContact CG1-CD1 4.26Å; I159-I222 HydrophobicContact CD1-CD1 4.03Å; I159-I222 HydrophobicContact CD1-CG2 4.47Å |
| 160 | L | 96.4 | Very high | 95.7 | Very high | 35 Ų | 35 | 28.1 Ų | 28.1 | 18% | 0.183 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 151.9 | -176.1 | -58.1 | 177.1 | 0 | 0 | 0 | 111.9 | I91 M110 G113 E114 I167 R168 | I91-L160 HydrophobicContact CD1-CD1 4.34Å; M110-L160 HydrophobicContact CB-CB 3.66Å; M110-L160 HydrophobicContact CB-CD1 4.11Å; M110-L160 HydrophobicContact CB-CG 4.42Å; M110-L160 HydrophobicContact CE-CB 4Å; M110-L160 WeakPolarHBondContact CE-O 3.4Å; M110-L160 HydrophobicContact CG-CB 3.6Å; M110-L160 HydrophobicContact CG-CD1 3.76Å; M110-L160 HydrophobicContact CG-CG 4.33Å; G113-L160 CarbonylContact O-C 3.57Å; G113-L160 WeakPolarHBondContact O-CA 3.46Å; E114-L160 HydrophobicContact CG-CD2 4Å; L160-I167 CarbonylContact O-C 3.34Å; L160-I167 WeakPolarHBondContact O-CA 3.29Å; L160-R168 PolarHBondContact N-O 3.3Å; L160-R168 PolarHBondContact O-N 3.27Å |
| 161 | L | 96.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 134.3 | -178.2 | -70 | 165.2 | 0 | 0 | 0 | 112 | M110 K112 G113 L115 Y118 M165 Q166 I167 | M110-L161 CarbonylContact C-O 3.59Å; M110-L161 VanDerWaalsContact CE-C 3.5Å; K112-L161 WeakPolarHBondContact CA-O 3.43Å; K112-L161 HydrophobicContact CB-CB 3.7Å; K112-L161 WeakPolarHBondContact CB-O 3.4Å; K112-L161 PolarHBondContact N-O 3.18Å; G113-L161 PolarHBondContact O-N 3.24Å; L115-L161 HydrophobicContact CB-CD1 4.37Å; L115-L161 HydrophobicContact CD1-CD1 4.05Å; Y118-L161 HydrophobicContact CD1-CD1 4.02Å; Y118-L161 HydrophobicContact CD2-CD1 4.45Å; Y118-L161 HydrophobicContact CG-CD1 3.75Å; L161-M165 HydrophobicContact CD1-CE 4.04Å; L161-M165 HydrophobicContact CD2-CE 4.18Å; L161-Q166 WeakPolarHBondContact CA-O 3.37Å; L161-I167 HydrophobicContact CD2-CG2 3.63Å |
| 162 | D | 92.8 | Very high | 95.2 | Very high | 32 Ų | 32 | 30.7 Ų | 30.7 | 17% | 0.171 | 15% | 0.154 | C | C | . | . | trans | -89.7 | -178 | 171.6 | 74.4 | 8.6 | 0 | 0 | 0 | 112.4 | M110 K112 N164 M165 Q166 | M110-D162 HydrophobicContact CE-CB 3.89Å; M110-D162 HydrophobicContact SD-CB 4.33Å; K112-D162 WeakPolarHBondContact CG-O 3.38Å; D162-N164 PolarHBondContact O-N 2.79Å; D162-N164 VanDerWaalsContact OD1-C 3.24Å; D162-N164 VanDerWaalsContact OD1-CA 3.27Å; D162-N164 WeakPolarHBondContact OD1-CA 3.48Å; D162-N164 WeakPolarHBondContact OD1-CB 3.34Å; D162-N164 PolarHBondContact OD1-N 3.49Å; D162-M165 PolarHBondContact O-N 2.86Å; D162-M165 VanDerWaalsContact O-N 3.16Å; D162-M165 PolarHBondContact OD1-N 2.85Å; D162-Q166 PolarHBondContact N-O 2.9Å; D162-Q166 PolarHBondContact OD1-N 3.29Å; D162-Q166 WeakPolarHBondContact OD2-CB 3.03Å | ||
| 163 | D | 89.9 | Confident | 94.9 | Very high | 93 Ų | 93 | 31.3 Ų | 31.3 | 50% | 0.497 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -26.5 | 178.7 | -65.7 | -56.3 | 0 | 0 | 0 | 113.2 | R111 | R111-D163 WeakPolarHBondContact CD-OD1 3.27Å; R111-D163 VanDerWaalsContact CD-OD2 3.26Å; R111-D163 WeakPolarHBondContact CD-OD2 3.37Å; R111-D163 IonicContact NE-OD2 2.69Å; R111-D163 PolarHBondContact NE-OD2 2.82Å |
| 164 | N | 91.5 | Very high | 94.7 | Very high | 123 Ų | 123 | 35 Ų | 35 | 66% | 0.658 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | 9.9 | -178.8 | -59.7 | 111.2 | 0 | 0 | 0 | 113.2 | D162 Q166 | D162-N164 PolarHBondContact O-N 2.79Å; D162-N164 VanDerWaalsContact OD1-C 3.24Å; D162-N164 VanDerWaalsContact OD1-CA 3.27Å; D162-N164 WeakPolarHBondContact OD1-CA 3.48Å; D162-N164 WeakPolarHBondContact OD1-CB 3.34Å; D162-N164 PolarHBondContact OD1-N 3.49Å; N164-Q166 HydrophobicContact CB-CG 4.21Å; N164-Q166 PolarHBondContact O-N 2.95Å; N164-Q166 PolarHBondContact O-NE2 2.75Å |
| 165 | M | 91.1 | Very high | 94.6 | Very high | 51 Ų | 51 | 35 Ų | 35 | 25% | 0.251 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 59.4 | 23.2 | -175.6 | -57.5 | -65.3 | -52.1 | 0 | 0 | 113.2 | K112 Y118 L161 D162 | K112-M165 HydrophobicContact CD-SD 3.55Å; K112-M165 VanDerWaalsContact CD-SD 3.55Å; K112-M165 PolarHBondContact NZ-SD 3.28Å; Y118-M165 HydrophobicContact CD1-CE 3.9Å; Y118-M165 HydrophobicContact CD2-CE 3.92Å; Y118-M165 HydrophobicContact CE1-CE 3.45Å; Y118-M165 VanDerWaalsContact CE1-CE 3.45Å; Y118-M165 HydrophobicContact CE2-CE 3.48Å; Y118-M165 VanDerWaalsContact CE2-CE 3.48Å; Y118-M165 HydrophobicContact CE2-SD 4.17Å; Y118-M165 HydrophobicContact CG-CE 4.11Å; L161-M165 HydrophobicContact CD1-CE 4.04Å; L161-M165 HydrophobicContact CD2-CE 4.18Å; D162-M165 PolarHBondContact O-N 2.86Å; D162-M165 VanDerWaalsContact O-N 3.16Å; D162-M165 PolarHBondContact OD1-N 2.85Å |
| 166 | Q | 94.4 | Very high | 94.5 | Very high | 77 Ų | 77 | 34.4 Ų | 34.4 | 36% | 0.36 | 18% | 0.18 | S | C | . | . | trans | -82.6 | 142.2 | 168.7 | -55.7 | -55.2 | -60.8 | 0 | 0 | 109 | L161 D162 N164 | L161-Q166 WeakPolarHBondContact CA-O 3.37Å; D162-Q166 PolarHBondContact N-O 2.9Å; D162-Q166 PolarHBondContact OD1-N 3.29Å; D162-Q166 WeakPolarHBondContact OD2-CB 3.03Å; N164-Q166 HydrophobicContact CB-CG 4.21Å; N164-Q166 PolarHBondContact O-N 2.95Å; N164-Q166 PolarHBondContact O-NE2 2.75Å | ||
| 167 | I | 97.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 151.2 | 179.1 | 65 | 146.4 | 0 | 0 | 0 | 111.8 | H89 I133 S136 L137 I159 L160 L161 | H89-I167 PolarHBondContact ND1-O 3.02Å; I133-I167 HydrophobicContact CG1-CG2 4.22Å; I133-I167 HydrophobicContact CG2-CG2 4.15Å; S136-I167 VanDerWaalsContact CB-CG1 3.44Å; L137-I167 HydrophobicContact CB-CD1 3.86Å; I159-I167 HydrophobicContact CG2-CB 3.66Å; I159-I167 HydrophobicContact CG2-CD1 3.91Å; I159-I167 HydrophobicContact CG2-CG1 4.43Å; I159-I167 HydrophobicContact CG2-CG2 3.65Å; L160-I167 CarbonylContact O-C 3.34Å; L160-I167 WeakPolarHBondContact O-CA 3.29Å; L161-I167 HydrophobicContact CD2-CG2 3.63Å |
| 168 | R | 98.2 | Very high | 94.8 | Very high | 54 Ų | 54 | 36.3 Ų | 36.3 | 20% | 0.204 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 126.3 | 157.9 | -64.1 | -174.3 | -178.4 | -95.6 | 2.2 | 109.7 | P88 H89 I90 I91 D108 M110 L160 | P88-R168 PolarHBondContact O-NH1 3.48Å; H89-R168 WeakPolarHBondContact O-CA 3.31Å; I90-R168 PolarHBondContact O-NH1 3.4Å; I91-R168 HydrophobicContact CB-CB 4.49Å; I91-R168 HydrophobicContact CD1-CB 4.41Å; D108-R168 IonicContact OD2-CZ 2.66Å; D108-R168 IonicContact OD2-NE 3.5Å; D108-R168 IonicContact OD2-NH1 3.3Å; D108-R168 IonicContact OD2-NH2 3.12Å; M110-R168 HydrophobicContact CE-CB 3.75Å; M110-R168 HydrophobicContact CE-CG 3.6Å; M110-R168 HydrophobicContact SD-CB 4.33Å; M110-R168 VanDerWaalsContact SD-CD 3.56Å; M110-R168 HydrophobicContact SD-CG 4.05Å; L160-R168 PolarHBondContact N-O 3.3Å; L160-R168 PolarHBondContact O-N 3.27Å |
| 169 | L | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 136.3 | 170.6 | -178 | 59.6 | 0 | 0 | 0 | 109.8 | H89 I90 I91 L137 A140 L144 L154 I159 F172 | H89-L169 PolarHBondContact O-N 3.06Å; I90-L169 HydrophobicContact CG1-CB 4.44Å; I91-L169 WeakPolarHBondContact CB-O 3.46Å; I91-L169 WeakPolarHBondContact CG2-O 3.48Å; I91-L169 PolarHBondContact N-O 2.93Å; L137-L169 HydrophobicContact CD1-CD1 4.41Å; A140-L169 HydrophobicContact CB-CD2 4.36Å; L144-L169 HydrophobicContact CD1-CD2 3.85Å; L154-L169 HydrophobicContact CD2-CD1 3.48Å; L154-L169 VanDerWaalsContact CD2-CD1 3.48Å; L154-L169 HydrophobicContact CD2-CD2 3.85Å; L154-L169 HydrophobicContact CD2-CG 4.28Å; I159-L169 HydrophobicContact CG1-CD1 4.26Å; L169-F172 HydrophobicContact CD2-CZ 4.43Å; L169-F172 HydrophobicContact CG-CZ 4.37Å |
| 170 | S | 95.6 | Very high | 94.4 | Very high | 14 Ų | 14 | 44.5 Ų | 44.5 | 10% | 0.098 | 24% | 0.235 | C | C | . | . | trans | -139.2 | 175.4 | -175 | 67.2 | 0 | 0 | 0 | 0 | 111.1 | H151 N158 | H151-S170 PolarHBondContact NE2-O 2.83Å; N158-S170 PolarHBondContact O-N 3.44Å; N158-S170 PolarHBondContact O-OG 2.95Å | ||
| 171 | D | 90.8 | Very high | 94.1 | Very high | 56 Ų | 56 | 46.6 Ų | 46.6 | 30% | 0.299 | 26% | 0.264 | S | S | . | . | trans | 64.2 | 78.1 | 176.8 | -160.2 | 12.2 | 0 | 0 | 0 | 114.7 | K53 H151 N158 G173 | K53-D171 IonicContact NZ-OD1 2.68Å; H151-D171 PolarHBondContact CE1-O 2.83Å; H151-D171 PolarHBondContact NE2-O 3.37Å; N158-D171 HydrophobicContact CB-CB 4.34Å; D171-G173 VanDerWaalsContact C-N 3.3Å; D171-G173 PolarHBondContact O-N 2.9Å | ||
| 172 | F | 94.5 | Very high | 94 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | trans | -91.9 | 16.1 | -178.6 | -72.8 | -98.9 | 0 | 0 | 0 | 112.8 | E77 I80 L81 V84 I90 I91 L144 L169 F174 S175 | E77-F172 HydrophobicContact CG-CB 4.15Å; I80-F172 HydrophobicContact CG2-CB 4.33Å; I80-F172 HydrophobicContact CG2-CD1 3.57Å; I80-F172 HydrophobicContact CG2-CE1 4.22Å; I80-F172 HydrophobicContact CG2-CG 4.19Å; L81-F172 HydrophobicContact CD2-CD2 3.54Å; L81-F172 HydrophobicContact CD2-CE2 4.05Å; L81-F172 HydrophobicContact CD2-CG 4.19Å; L81-F172 HydrophobicContact CG-CB 4.41Å; L81-F172 HydrophobicContact CG-CD2 4.33Å; V84-F172 HydrophobicContact CG2-CZ 4.36Å; I90-F172 HydrophobicContact CG2-CE2 3.76Å; I90-F172 HydrophobicContact CG2-CZ 3.6Å; I91-F172 HydrophobicContact CG2-CE2 4.46Å; L144-F172 HydrophobicContact CD1-CE1 3.85Å; L144-F172 HydrophobicContact CD1-CZ 4.31Å; L144-F172 HydrophobicContact CD2-CE1 3.74Å; L144-F172 HydrophobicContact CD2-CZ 4.27Å; L144-F172 HydrophobicContact CG-CE1 4.46Å; L169-F172 HydrophobicContact CD2-CZ 4.43Å; L169-F172 HydrophobicContact CG-CZ 4.37Å; F172-F174 PolarHBondContact O-N 3.2Å; F172-S175 WeakPolarHBondContact CA-OG 3.48Å; F172-S175 VanDerWaalsContact CD1-OG 3.25Å; F172-S175 WeakPolarHBondContact CD1-OG 3.42Å; F172-S175 VanDerWaalsContact O-CB 3.29Å; F172-S175 WeakPolarHBondContact O-CB 3.16Å; F172-S175 PolarHBondContact O-N 3.32Å; F172-S175 PolarHBondContact O-OG 3.47Å | ||
| 173 | G | 90.8 | Very high | 94.2 | Very high | 27 Ų | 27 | 55.1 Ų | 55.1 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -29.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D171 | D171-G173 VanDerWaalsContact C-N 3.3Å; D171-G173 PolarHBondContact O-N 2.9Å |
| 174 | F | 92.1 | Very high | 94.5 | Very high | 82 Ų | 82 | 52.2 Ų | 52.2 | 36% | 0.36 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -2 | 172.7 | -66.4 | -65.6 | 0 | 0 | 0 | 113.6 | H151 R152 D153 F172 C188 | H151-F174 CarbonylContact O-C 3.53Å; R152-F174 HydrophobicContact CB-CB 4.38Å; R152-F174 PolarHBondContact NE-O 2.87Å; R152-F174 PolarHBondContact NH2-O 3.09Å; D153-F174 HydrophobicContact CB-CB 4.29Å; D153-F174 HydrophobicContact CB-CD2 3.66Å; D153-F174 HydrophobicContact CB-CE2 4.49Å; D153-F174 HydrophobicContact CB-CG 4.36Å; F172-F174 PolarHBondContact O-N 3.2Å; F174-C188 HydrophobicContact CD1-CB 3.67Å; F174-C188 HydrophobicContact CE1-CB 3.98Å; F174-C188 HydrophobicContact CG-CB 4.41Å |
| 175 | S | 96.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | trans | -72.8 | 149.5 | -176.5 | -57.4 | 0 | 0 | 0 | 0 | 112 | I80 V150 H151 F172 | I80-S175 WeakPolarHBondContact CD1-O 3.44Å; V150-S175 VanDerWaalsContact O-CA 3.24Å; V150-S175 WeakPolarHBondContact O-CA 3.24Å; H151-S175 WeakPolarHBondContact CA-OG 3.4Å; H151-S175 PolarHBondContact O-OG 3.5Å; F172-S175 WeakPolarHBondContact CA-OG 3.48Å; F172-S175 VanDerWaalsContact CD1-OG 3.25Å; F172-S175 WeakPolarHBondContact CD1-OG 3.42Å; F172-S175 VanDerWaalsContact O-CB 3.29Å; F172-S175 WeakPolarHBondContact O-CB 3.16Å; F172-S175 PolarHBondContact O-N 3.32Å; F172-S175 PolarHBondContact O-OG 3.47Å | ||
| 176 | C | 96.1 | Very high | 94.8 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 13% | 0.128 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 160.6 | 174.9 | 69.2 | 0 | 0 | 0 | 0 | 111.4 | I149 V150 L184 | I149-C176 WeakPolarHBondContact CA-O 3.43Å; V150-C176 PolarHBondContact N-O 3.25Å; V150-C176 PolarHBondContact O-N 3.34Å; C176-L184 VanDerWaalsContact SG-CD1 3.58Å |
| 177 | H | 97.2 | Very high | 94.8 | Very high | 70 Ų | 70 | 55 Ų | 55 | 32% | 0.324 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 141.8 | 165.3 | -65.6 | 80.8 | 0 | 0 | 0 | 109.9 | H79 Q83 N148 | H79-H177 AromaticContact CD2-CE1 3.96Å; Q83-H177 PolarHBondContact NE2-NE2 3.07Å; Q83-H177 PolarHBondContact OE1-CE1 3.26Å; Q83-H177 PolarHBondContact OE1-NE2 2.86Å; N148-H177 CarbonylContact O-C 3.6Å; N148-H177 VanDerWaalsContact O-CA 3.25Å; N148-H177 WeakPolarHBondContact O-CA 3.14Å |
| 178 | L | 96.8 | Very high | 94.5 | Very high | 16 Ų | 16 | 55.4 Ų | 55.4 | 8% | 0.084 | 30% | 0.295 | C | S | . | . | trans | -141.4 | 106.7 | 176.7 | -175.3 | 67.3 | 0 | 0 | 0 | 108.7 | N148 V150 E182 L184 | N148-L178 WeakPolarHBondContact CB-O 3.4Å; N148-L178 PolarHBondContact O-N 2.97Å; V150-L178 HydrophobicContact CG2-CB 3.89Å; V150-L178 HydrophobicContact CG2-CD2 3.81Å; L178-E182 HydrophobicContact CD1-CB 3.62Å; L178-E182 HydrophobicContact CG-CB 4.38Å; L178-L184 HydrophobicContact CD1-CD1 4.24Å; L178-L184 HydrophobicContact CD1-CD2 3.93Å; L178-L184 HydrophobicContact CD1-CG 3.72Å; L178-L184 HydrophobicContact CD2-CD1 4.35Å; L178-L184 HydrophobicContact CD2-CG 4.46Å | ||
| 179 | E | 94.9 | Very high | 94.1 | Very high | 95 Ų | 95 | 53.8 Ų | 53.8 | 44% | 0.444 | 30% | 0.295 | S | S | . | . | trans | -69.7 | 152 | -179.4 | -70.1 | -61.1 | 134.2 | 0 | 0 | 111.4 | N148 G181 E182 | N148-E179 PolarHBondContact ND2-OE1 3.4Å; N148-E179 PolarHBondContact ND2-OE2 3.08Å; E179-G181 PolarHBondContact O-N 3.37Å; E179-G181 VanDerWaalsContact O-N 3.09Å; E179-E182 HydrophobicContact CB-CG 4.04Å; E179-E182 PolarHBondContact N-OE2 3.15Å; E179-E182 WeakPolarHBondContact O-CB 3.23Å; E179-E182 PolarHBondContact O-N 2.89Å | ||
| 180 | P | 90.8 | Very high | 93.7 | Very high | 89 Ų | 89 | 55.6 Ų | 55.6 | 58% | 0.578 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 118.9 | 179.5 | -25.9 | 35 | 0 | 0 | 0 | 112.3 | ||
| 181 | G | 89.1 | Confident | 93.5 | Very high | 78 Ų | 78 | 57 Ų | 57 | 80% | 0.804 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.7 | -13.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E179 | E179-G181 PolarHBondContact O-N 3.37Å; E179-G181 VanDerWaalsContact O-N 3.09Å |
| 182 | E | 94.9 | Very high | 93.6 | Very high | 109 Ų | 109 | 54.6 Ų | 54.6 | 51% | 0.509 | 30% | 0.304 | S | S | . | . | trans | -74 | 156.9 | 170.9 | -65.2 | -173.8 | 158.4 | 0 | 0 | 111.6 | L178 E179 | L178-E182 HydrophobicContact CD1-CB 3.62Å; L178-E182 HydrophobicContact CG-CB 4.38Å; E179-E182 HydrophobicContact CB-CG 4.04Å; E179-E182 PolarHBondContact N-OE2 3.15Å; E179-E182 WeakPolarHBondContact O-CB 3.23Å; E179-E182 PolarHBondContact O-N 2.89Å | ||
| 183 | K | 96 | Very high | 93.8 | Very high | 103 Ų | 103 | 55.3 Ų | 55.3 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | trans | -135 | 143.4 | 178.6 | -65 | -66.1 | 178.9 | -179 | 0 | 110.6 | P208 Y210 | K183-P208 VanDerWaalsContact CB-O 3.27Å; K183-P208 WeakPolarHBondContact CB-O 3.34Å; K183-Y210 CarbonylContact C-O 3.55Å; K183-Y210 WeakPolarHBondContact CA-O 3.33Å; K183-Y210 WeakPolarHBondContact CD-O 3.16Å | ||
| 184 | L | 96.1 | Very high | 94.1 | Very high | 32 Ų | 32 | 54.5 Ų | 54.5 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | B | Isolated β-bridge | trans | -98.9 | 156.7 | 176.9 | -59.9 | 170.5 | 0 | 0 | 0 | 110.2 | C176 L178 G209 Y210 | C176-L184 VanDerWaalsContact SG-CD1 3.58Å; L178-L184 HydrophobicContact CD1-CD1 4.24Å; L178-L184 HydrophobicContact CD1-CD2 3.93Å; L178-L184 HydrophobicContact CD1-CG 3.72Å; L178-L184 HydrophobicContact CD2-CD1 4.35Å; L178-L184 HydrophobicContact CD2-CG 4.46Å; L184-G209 CarbonylContact O-C 3.46Å; L184-G209 WeakPolarHBondContact O-CA 3.48Å; L184-Y210 HydrophobicContact CB-CD1 4.31Å; L184-Y210 HydrophobicContact CB-CD2 3.98Å; L184-Y210 HydrophobicContact CB-CE1 3.89Å; L184-Y210 HydrophobicContact CB-CE2 3.52Å; L184-Y210 HydrophobicContact CB-CG 4.35Å; L184-Y210 VanDerWaalsContact CB-CZ 3.47Å; L184-Y210 HydrophobicContact CD1-CD2 4.41Å; L184-Y210 HydrophobicContact CD1-CE2 3.72Å; L184-Y210 HydrophobicContact CG-CE2 4.25Å; L184-Y210 PolarHBondContact N-O 2.87Å; L184-Y210 VanDerWaalsContact O-CD1 3.25Å; L184-Y210 WeakPolarHBondContact O-CD1 3.44Å; L184-Y210 PolarHBondContact O-N 3.43Å |
| 185 | R | 96 | Very high | 94.4 | Very high | 105 Ų | 105 | 50.7 Ų | 50.7 | 40% | 0.396 | 28% | 0.279 | S | S | . | . | trans | -131.6 | -12.9 | 177.3 | -55.3 | -171.9 | 71.9 | 90.3 | 9.2 | 114.1 | L187 C201 D204 E205 H207 | R185-L187 PolarHBondContact O-N 3.29Å; R185-C201 PolarHBondContact NH2-O 2.97Å; R185-D204 PolarHBondContact NH2-O 3.49Å; R185-E205 PolarHBondContact NH2-O 3.03Å; R185-H207 PolarHBondContact NH1-O 2.94Å; R185-H207 PolarHBondContact NH2-O 3.24Å | ||
| 186 | E | 93.6 | Very high | 94.4 | Very high | 109 Ų | 109 | 50.6 Ų | 50.6 | 51% | 0.509 | 28% | 0.279 | S | S | . | . | trans | -62.4 | 127.4 | -176.8 | -174.7 | -172.3 | -175.6 | 0 | 0 | 110.9 | R152 C188 Y210 | R152-E186 IonicContact CZ-OE2 3.18Å; R152-E186 IonicContact NH1-OE2 2.76Å; R152-E186 PolarHBondContact NH1-OE2 3.45Å; R152-E186 IonicContact NH2-OE2 3.97Å; R152-E186 PolarHBondContact NH2-OE2 3.4Å; R152-E186 VanDerWaalsContact NH2-OE2 3.15Å; E186-C188 HydrophobicContact CG-CB 4.38Å; E186-C188 PolarHBondContact O-N 3.38Å; E186-Y210 WeakPolarHBondContact O-CE1 3.33Å; E186-Y210 PolarHBondContact O-OH 3.36Å | ||
| 187 | L | 93.9 | Very high | 94.5 | Very high | 94 Ų | 94 | 49.9 Ų | 49.9 | 49% | 0.492 | 27% | 0.274 | S | S | . | . | trans | -81.5 | 98.3 | 172.3 | 178.6 | 65.1 | 0 | 0 | 0 | 109.2 | R185 L194 I198 L199 | R185-L187 PolarHBondContact O-N 3.29Å; L187-L194 HydrophobicContact CD1-CD1 3.97Å; L187-I198 HydrophobicContact CD1-CG2 3.67Å; L187-L199 HydrophobicContact CD1-CD2 4.35Å | ||
| 188 | C | 91.7 | Very high | 94.5 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 7% | 0.068 | 26% | 0.259 | C | S | . | . | trans | -137.1 | 162.9 | 177 | 61.8 | 0 | 0 | 0 | 0 | 110.9 | R152 F174 E186 L194 | R152-C188 VanDerWaalsContact CZ-SG 3.53Å; R152-C188 PolarHBondContact NH1-SG 2.86Å; F174-C188 HydrophobicContact CD1-CB 3.67Å; F174-C188 HydrophobicContact CE1-CB 3.98Å; F174-C188 HydrophobicContact CG-CB 4.41Å; E186-C188 HydrophobicContact CG-CB 4.38Å; E186-C188 PolarHBondContact O-N 3.38Å; C188-L194 WeakPolarHBondContact O-CD2 3.32Å | ||
| 189 | G | 91.2 | Very high | 94.4 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | S | Bend | trans | 97.1 | 175.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D153 | D153-G189 WeakPolarHBondContact OD1-CA 3.47Š|
| 190 | T | 89.9 | Confident | 94.4 | Very high | 38 Ų | 38 | 45.2 Ų | 45.2 | 23% | 0.233 | 25% | 0.25 | C | S | . | . | trans | -82.9 | 124.4 | -171.2 | -56.2 | 0 | 0 | 0 | 0 | 111.8 | D153 K155 G192 Y193 L194 | D153-T190 WeakPolarHBondContact OD1-CB 3.13Å; D153-T190 PolarHBondContact OD1-N 2.96Å; D153-T190 PolarHBondContact OD1-OG1 2.93Å; K155-T190 HydrophobicContact CD-CG2 4.33Å; K155-T190 VanDerWaalsContact CD-OG1 3.24Å; K155-T190 WeakPolarHBondContact CD-OG1 3.33Å; K155-T190 PolarHBondContact NZ-OG1 3.32Å; T190-G192 VanDerWaalsContact C-N 3.29Å; T190-G192 PolarHBondContact O-N 2.83Å; T190-Y193 HydrophobicContact CG2-CD2 3.98Å; T190-Y193 HydrophobicContact CG2-CE2 4.36Å; T190-Y193 PolarHBondContact O-N 2.68Å; T190-L194 PolarHBondContact O-N 3.07Å | ||
| 191 | P | 91.3 | Very high | 94.6 | Very high | 43 Ų | 43 | 41.2 Ų | 41.2 | 28% | 0.279 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -35.4 | -169.6 | -34.1 | 36.6 | 0 | 0 | 0 | 117.5 | Y193 M241 L242 I245 | P191-Y193 VanDerWaalsContact C-N 3.26Å; P191-Y193 PolarHBondContact O-N 3.35Å; P191-M241 HydrophobicContact CB-CE 3.69Å; P191-L242 HydrophobicContact CB-CD2 4.49Å; P191-I245 VanDerWaalsContact O-CD1 3.25Å; P191-I245 WeakPolarHBondContact O-CD1 3.47Å |
| 192 | G | 93.2 | Very high | 94.7 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 6% | 0.062 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -12.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | T190 | T190-G192 VanDerWaalsContact C-N 3.29Å; T190-G192 PolarHBondContact O-N 2.83Å |
| 193 | Y | 97 | Very high | 94.5 | Very high | 16 Ų | 16 | 40.9 Ų | 40.9 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | -2.4 | -178.3 | -59.6 | -89.9 | 0 | 0 | 0 | 112.4 | K155 P156 T190 P191 V221 I222 | K155-Y193 HydrophobicContact CB-CD1 4.26Å; K155-Y193 HydrophobicContact CB-CD2 3.83Å; K155-Y193 HydrophobicContact CB-CE1 4.16Å; K155-Y193 HydrophobicContact CB-CE2 3.68Å; K155-Y193 HydrophobicContact CB-CG 4.13Å; P156-Y193 VanDerWaalsContact CD-CZ 3.45Å; P156-Y193 WeakPolarHBondContact CD-OH 3.28Å; T190-Y193 HydrophobicContact CG2-CD2 3.98Å; T190-Y193 HydrophobicContact CG2-CE2 4.36Å; T190-Y193 PolarHBondContact O-N 2.68Å; P191-Y193 VanDerWaalsContact C-N 3.26Å; P191-Y193 PolarHBondContact O-N 3.35Å; Y193-V221 HydrophobicContact CD1-CB 3.81Å; Y193-V221 HydrophobicContact CD1-CG1 3.39Å; Y193-V221 HydrophobicContact CE1-CB 4.23Å; Y193-V221 HydrophobicContact CE1-CG1 3.5Å; Y193-V221 VanDerWaalsContact CE1-CG1 3.5Å; Y193-V221 HydrophobicContact CG-CG1 4.22Å; Y193-I222 HydrophobicContact CD1-CG1 4.27Å; Y193-I222 HydrophobicContact CE1-CG1 3.98Å |
| 194 | L | 97.3 | Very high | 94.3 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | trans | -64.5 | 137 | 178.2 | -65.1 | 180 | 0 | 0 | 0 | 111.2 | L187 C188 T190 I198 L199 W217 I245 | L187-L194 HydrophobicContact CD1-CD1 3.97Å; C188-L194 WeakPolarHBondContact O-CD2 3.32Å; T190-L194 PolarHBondContact O-N 3.07Å; L194-I198 HydrophobicContact CD2-CD1 4.07Å; L194-I198 HydrophobicContact CD2-CG2 4.45Å; L194-L199 HydrophobicContact CB-CD2 4.39Å; L194-L199 HydrophobicContact CD1-CD2 3.81Å; L194-W217 PolarHBondContact O-NE1 3.48Å; L194-I245 WeakPolarHBondContact O-CG2 3.44Å | ||
| 195 | A | 98.1 | Very high | 94 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 24% | 0.24 | C | C | . | . | trans | -77.5 | 151.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E197 I198 V214 W217 | A195-E197 VanDerWaalsContact C-N 3.25Å; A195-E197 VanDerWaalsContact CB-CD 3.46Å; A195-E197 HydrophobicContact CB-CG 4.33Å; A195-E197 WeakPolarHBondContact CB-OE1 2.98Å; A195-E197 WeakPolarHBondContact CB-OE2 3.46Å; A195-E197 PolarHBondContact O-N 3.02Å; A195-I198 HydrophobicContact CB-CD1 4.37Å; A195-I198 HydrophobicContact CB-CG1 4.34Å; A195-I198 PolarHBondContact O-N 3.16Å; A195-I198 VanDerWaalsContact O-N 3.12Å; A195-V214 HydrophobicContact CB-CB 3.95Å; A195-V214 HydrophobicContact CB-CG1 3.93Å; A195-W217 HydrophobicContact CB-CB 3.76Å; A195-W217 HydrophobicContact CB-CD2 4.38Å; A195-W217 HydrophobicContact CB-CG 3.77Å | ||
| 196 | P | 98.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.7 | -38.9 | -178.5 | -28.5 | 36.7 | 0 | 0 | 0 | 113.8 | I198 L199 K200 W217 I245 V274 | P196-I198 VanDerWaalsContact C-N 3.34Å; P196-I198 PolarHBondContact O-N 3.3Å; P196-L199 PolarHBondContact O-N 3.26Å; P196-K200 VanDerWaalsContact O-CG 3.31Å; P196-K200 WeakPolarHBondContact O-CG 3.5Å; P196-K200 PolarHBondContact O-N 3.27Å; P196-W217 HydrophobicContact CG-CD2 4.43Å; P196-W217 HydrophobicContact CG-CE3 4.11Å; P196-W217 HydrophobicContact CG-CH2 3.48Å; P196-W217 VanDerWaalsContact CG-CH2 3.48Å; P196-W217 HydrophobicContact CG-CZ2 3.84Å; P196-W217 HydrophobicContact CG-CZ3 3.64Å; P196-I245 HydrophobicContact CG-CG2 4.28Å; P196-I245 WeakPolarHBondContact CG-O 3.4Å; P196-V274 HydrophobicContact CB-CG1 4Å; P196-V274 HydrophobicContact CG-CB 4.49Å; P196-V274 HydrophobicContact CG-CG1 4.16Å; P196-V274 HydrophobicContact CG-CG2 4.41Å |
| 197 | E | 97.9 | Very high | 94 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.2 | -29 | -179.2 | 61.4 | -88 | -153.7 | 0 | 0 | 113.7 | A195 C201 V214 P276 R279 | A195-E197 VanDerWaalsContact C-N 3.25Å; A195-E197 VanDerWaalsContact CB-CD 3.46Å; A195-E197 HydrophobicContact CB-CG 4.33Å; A195-E197 WeakPolarHBondContact CB-OE1 2.98Å; A195-E197 WeakPolarHBondContact CB-OE2 3.46Å; A195-E197 PolarHBondContact O-N 3.02Å; E197-C201 WeakPolarHBondContact O-CB 3.47Å; E197-C201 PolarHBondContact O-N 2.99Å; E197-C201 PolarHBondContact O-SG 3.3Å; E197-C201 VanDerWaalsContact O-SG 3.4Å; E197-V214 HydrophobicContact CG-CG1 4.07Å; E197-P276 HydrophobicContact CB-CG 4.05Å; E197-P276 HydrophobicContact CG-CG 3.92Å; E197-R279 IonicContact OE1-CZ 2.7Å; E197-R279 IonicContact OE1-NH1 2.73Å; E197-R279 PolarHBondContact OE1-NH1 2.92Å; E197-R279 IonicContact OE1-NH2 3.93Å; E197-R279 PolarHBondContact OE1-NH2 2.87Å; E197-R279 IonicContact OE2-CZ 2.95Å; E197-R279 IonicContact OE2-NH1 3.88Å; E197-R279 IonicContact OE2-NH2 3.37Å; E197-R279 PolarHBondContact OE2-NH2 3.5Å |
| 198 | I | 97 | Very high | 94 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.2 | -44.1 | 172.6 | -57.4 | 178.4 | 0 | 0 | 0 | 109.3 | L187 L194 A195 P196 C201 S202 Y210 V214 | L187-I198 HydrophobicContact CD1-CG2 3.67Å; L194-I198 HydrophobicContact CD2-CD1 4.07Å; L194-I198 HydrophobicContact CD2-CG2 4.45Å; A195-I198 HydrophobicContact CB-CD1 4.37Å; A195-I198 HydrophobicContact CB-CG1 4.34Å; A195-I198 PolarHBondContact O-N 3.16Å; A195-I198 VanDerWaalsContact O-N 3.12Å; P196-I198 VanDerWaalsContact C-N 3.34Å; P196-I198 PolarHBondContact O-N 3.3Å; I198-C201 PolarHBondContact O-SG 3.19Å; I198-S202 PolarHBondContact O-N 2.83Å; I198-Y210 HydrophobicContact CB-CD1 4.32Å; I198-Y210 HydrophobicContact CB-CE1 4.48Å; I198-Y210 HydrophobicContact CG1-CD1 3.83Å; I198-Y210 HydrophobicContact CG1-CD2 4.19Å; I198-Y210 HydrophobicContact CG1-CE1 4.07Å; I198-Y210 HydrophobicContact CG1-CE2 4.42Å; I198-Y210 HydrophobicContact CG1-CG 3.89Å; I198-Y210 HydrophobicContact CG2-CD1 4.49Å; I198-Y210 HydrophobicContact CG2-CE1 4.18Å; I198-V214 HydrophobicContact CD1-CB 3.95Å; I198-V214 HydrophobicContact CD1-CG1 3.86Å; I198-V214 HydrophobicContact CD1-CG2 4.39Å; I198-V214 HydrophobicContact CG1-CB 4.4Å; I198-V214 HydrophobicContact CG1-CG1 3.76Å |
| 199 | L | 95.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.1 | -43.8 | 179.1 | -58.4 | 178.7 | 0 | 0 | 0 | 111.2 | L187 L194 P196 S202 M203 L242 I245 M246 | L187-L199 HydrophobicContact CD1-CD2 4.35Å; L194-L199 HydrophobicContact CB-CD2 4.39Å; L194-L199 HydrophobicContact CD1-CD2 3.81Å; P196-L199 PolarHBondContact O-N 3.26Å; L199-S202 PolarHBondContact O-N 2.68Å; L199-M203 WeakPolarHBondContact O-CG 3.47Å; L199-M203 PolarHBondContact O-N 3.08Å; L199-L242 HydrophobicContact CD1-CB 4.18Å; L199-L242 HydrophobicContact CD1-CD2 3.98Å; L199-L242 HydrophobicContact CD2-CD2 3.95Å; L199-I245 HydrophobicContact CD1-CB 4.05Å; L199-I245 HydrophobicContact CD1-CG2 3.67Å; L199-M246 HydrophobicContact CB-CG 3.92Å; L199-M246 HydrophobicContact CB-SD 4.23Å; L199-M246 HydrophobicContact CD1-CG 3.79Å |
| 200 | K | 94.3 | Very high | 94.5 | Very high | 72 Ų | 72 | 43.2 Ų | 43.2 | 31% | 0.313 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.4 | -46.5 | 177.6 | -72.2 | 172 | -176 | 176 | 0 | 111.4 | P196 S202 M203 D204 M246 | P196-K200 VanDerWaalsContact O-CG 3.31Å; P196-K200 WeakPolarHBondContact O-CG 3.5Å; P196-K200 PolarHBondContact O-N 3.27Å; K200-S202 VanDerWaalsContact C-N 3.27Å; K200-S202 PolarHBondContact O-N 3.17Å; K200-M203 PolarHBondContact O-N 3.34Å; K200-M203 VanDerWaalsContact O-N 3.14Å; K200-D204 WeakPolarHBondContact O-CB 3.34Å; K200-D204 PolarHBondContact O-N 3.31Å; K200-M246 HydrophobicContact CG-CE 4.12Å |
| 201 | C | 93.6 | Very high | 94.8 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.6 | -23.9 | -178.6 | 77.9 | 0 | 0 | 0 | 0 | 114.3 | R185 E197 I198 H207 | R185-C201 PolarHBondContact NH2-O 2.97Å; E197-C201 WeakPolarHBondContact O-CB 3.47Å; E197-C201 PolarHBondContact O-N 2.99Å; E197-C201 PolarHBondContact O-SG 3.3Å; E197-C201 VanDerWaalsContact O-SG 3.4Å; I198-C201 PolarHBondContact O-SG 3.19Å; C201-H207 HydrophobicContact CB-CB 4.12Å |
| 202 | S | 91.8 | Very high | 95.1 | Very high | 64 Ų | 64 | 44 Ų | 44 | 45% | 0.448 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -77.9 | -22.1 | 173.6 | -177.9 | 0 | 0 | 0 | 0 | 113 | I198 L199 K200 | I198-S202 PolarHBondContact O-N 2.83Å; L199-S202 PolarHBondContact O-N 2.68Å; K200-S202 VanDerWaalsContact C-N 3.27Å; K200-S202 PolarHBondContact O-N 3.17Å |
| 203 | M | 90.3 | Very high | 95.4 | Very high | 115 Ų | 115 | 46.1 Ų | 46.1 | 57% | 0.567 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -99.7 | -27.1 | 179.9 | -65.2 | 178.6 | -171.5 | 0 | 0 | 112.8 | L199 K200 M246 | L199-M203 WeakPolarHBondContact O-CG 3.47Å; L199-M203 PolarHBondContact O-N 3.08Å; K200-M203 PolarHBondContact O-N 3.34Å; K200-M203 VanDerWaalsContact O-N 3.14Å; M203-M246 HydrophobicContact CE-SD 4.01Å; M203-M246 HydrophobicContact SD-CE 3.9Å; M203-M246 HydrophobicContact SD-SD 3.96Å |
| 204 | D | 91.9 | Very high | 95.5 | Very high | 72 Ų | 72 | 45.6 Ų | 45.6 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | trans | -123.7 | 109.6 | -178.2 | 179.9 | 3.2 | 0 | 0 | 0 | 110.3 | R185 K200 T206 H207 | R185-D204 PolarHBondContact NH2-O 3.49Å; K200-D204 WeakPolarHBondContact O-CB 3.34Å; K200-D204 PolarHBondContact O-N 3.31Å; D204-T206 VanDerWaalsContact CG-OG1 3.25Å; D204-T206 PolarHBondContact O-N 2.51Å; D204-T206 WeakPolarHBondContact OD1-CB 3.46Å; D204-T206 PolarHBondContact OD1-N 3.37Å; D204-T206 PolarHBondContact OD1-OG1 2.74Å; D204-T206 PolarHBondContact OD2-OG1 2.69Å; D204-H207 HydrophobicContact CB-CB 4.43Å; D204-H207 WeakPolarHBondContact O-CB 3.47Å; D204-H207 PolarHBondContact O-N 2.86Å | ||
| 205 | E | 90.5 | Very high | 95.5 | Very high | 181 Ų | 181 | 45.2 Ų | 45.2 | 85% | 0.846 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -25.1 | 178.3 | -66.6 | -173.2 | 171.2 | 0 | 0 | 112.6 | R185 H207 | R185-E205 PolarHBondContact NH2-O 3.03Å; E205-H207 VanDerWaalsContact C-N 3.34Å |
| 206 | T | 94.1 | Very high | 95.6 | Very high | 122 Ų | 122 | 45.2 Ų | 45.2 | 75% | 0.748 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -16.3 | -179.1 | 73.2 | 0 | 0 | 0 | 0 | 113.6 | D204 | D204-T206 VanDerWaalsContact CG-OG1 3.25Å; D204-T206 PolarHBondContact O-N 2.51Å; D204-T206 WeakPolarHBondContact OD1-CB 3.46Å; D204-T206 PolarHBondContact OD1-N 3.37Å; D204-T206 PolarHBondContact OD1-OG1 2.74Å; D204-T206 PolarHBondContact OD2-OG1 2.69Å |
| 207 | H | 95.3 | Very high | 95.6 | Very high | 42 Ų | 42 | 45.2 Ų | 45.2 | 19% | 0.194 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -61.7 | 139.5 | 176.7 | -169.3 | -86.9 | 0 | 0 | 0 | 110.4 | R185 C201 D204 E205 G209 | R185-H207 PolarHBondContact NH1-O 2.94Å; R185-H207 PolarHBondContact NH2-O 3.24Å; C201-H207 HydrophobicContact CB-CB 4.12Å; D204-H207 HydrophobicContact CB-CB 4.43Å; D204-H207 WeakPolarHBondContact O-CB 3.47Å; D204-H207 PolarHBondContact O-N 2.86Å; E205-H207 VanDerWaalsContact C-N 3.34Å; H207-G209 PolarHBondContact CE1-O 3.4Å; H207-G209 VanDerWaalsContact CE1-O 3.3Å; H207-G209 PolarHBondContact ND1-N 3.18Å; H207-G209 VanDerWaalsContact ND1-N 3.19Å; H207-G209 PolarHBondContact ND1-O 3.19Å; H207-G209 PolarHBondContact O-N 3.45Å; H207-G209 VanDerWaalsContact O-N 3.12Å |
| 208 | P | 93.2 | Very high | 95.7 | Very high | 98 Ų | 98 | 45.3 Ų | 45.3 | 64% | 0.636 | 24% | 0.238 | S | C | * | . | trans | -68.2 | -14 | -174.3 | 26.2 | -36.1 | 0 | 0 | 0 | 115 | K183 | K183-P208 VanDerWaalsContact CB-O 3.27Å; K183-P208 WeakPolarHBondContact CB-O 3.34Å | ||
| 209 | G | 96.3 | Very high | 95.8 | Very high | 6 Ų | 6 | 45.1 Ų | 45.1 | 6% | 0.062 | 24% | 0.237 | C | C | . | . | trans | 104.2 | -167.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L184 H207 | L184-G209 CarbonylContact O-C 3.46Å; L184-G209 WeakPolarHBondContact O-CA 3.48Å; H207-G209 PolarHBondContact CE1-O 3.4Å; H207-G209 VanDerWaalsContact CE1-O 3.3Å; H207-G209 PolarHBondContact ND1-N 3.18Å; H207-G209 VanDerWaalsContact ND1-N 3.19Å; H207-G209 PolarHBondContact ND1-O 3.19Å; H207-G209 PolarHBondContact O-N 3.45Å; H207-G209 VanDerWaalsContact O-N 3.12Å | ||
| 210 | Y | 97.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -125.9 | 164.3 | -178.2 | 66.5 | -94.9 | 0 | 0 | 0 | 111.9 | R152 K183 L184 E186 I198 V214 | R152-Y210 PolarHBondContact NH1-OH 2.88Å; K183-Y210 CarbonylContact C-O 3.55Å; K183-Y210 WeakPolarHBondContact CA-O 3.33Å; K183-Y210 WeakPolarHBondContact CD-O 3.16Å; L184-Y210 HydrophobicContact CB-CD1 4.31Å; L184-Y210 HydrophobicContact CB-CD2 3.98Å; L184-Y210 HydrophobicContact CB-CE1 3.89Å; L184-Y210 HydrophobicContact CB-CE2 3.52Å; L184-Y210 HydrophobicContact CB-CG 4.35Å; L184-Y210 VanDerWaalsContact CB-CZ 3.47Å; L184-Y210 HydrophobicContact CD1-CD2 4.41Å; L184-Y210 HydrophobicContact CD1-CE2 3.72Å; L184-Y210 HydrophobicContact CG-CE2 4.25Å; L184-Y210 PolarHBondContact N-O 2.87Å; L184-Y210 VanDerWaalsContact O-CD1 3.25Å; L184-Y210 WeakPolarHBondContact O-CD1 3.44Å; L184-Y210 PolarHBondContact O-N 3.43Å; E186-Y210 WeakPolarHBondContact O-CE1 3.33Å; E186-Y210 PolarHBondContact O-OH 3.36Å; I198-Y210 HydrophobicContact CB-CD1 4.32Å; I198-Y210 HydrophobicContact CB-CE1 4.48Å; I198-Y210 HydrophobicContact CG1-CD1 3.83Å; I198-Y210 HydrophobicContact CG1-CD2 4.19Å; I198-Y210 HydrophobicContact CG1-CE1 4.07Å; I198-Y210 HydrophobicContact CG1-CE2 4.42Å; I198-Y210 HydrophobicContact CG1-CG 3.89Å; I198-Y210 HydrophobicContact CG2-CD1 4.49Å; I198-Y210 HydrophobicContact CG2-CE1 4.18Å; Y210-V214 HydrophobicContact CD2-CB 4.5Å; Y210-V214 HydrophobicContact CD2-CG1 3.53Å; Y210-V214 HydrophobicContact CD2-CG2 4.2Å; Y210-V214 HydrophobicContact CE2-CG1 4.4Å; Y210-V214 HydrophobicContact CE2-CG2 4.42Å; Y210-V214 HydrophobicContact CG-CG1 3.91Å |
| 211 | G | 97.5 | Very high | 96.1 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | trans | -131.7 | -148.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E213 V214 | G211-E213 WeakPolarHBondContact CA-OE2 3.5Å; G211-E213 PolarHBondContact N-OE2 3.03Å; G211-E213 PolarHBondContact O-N 2.83Å; G211-V214 WeakPolarHBondContact O-CG2 3.4Å | ||
| 212 | R | 97.9 | Very high | 96.4 | Very high | 96 Ų | 96 | 41.1 Ų | 41.1 | 36% | 0.362 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.7 | -177.9 | 73.2 | -177 | 121.3 | -158.8 | -2.3 | 113.8 | H145 V150 V214 D215 | H145-R212 PolarHBondContact CE1-O 3.25Å; H145-R212 PolarHBondContact O-NH1 3.47Å; V150-R212 HydrophobicContact CG2-CB 3.73Å; R212-V214 PolarHBondContact O-N 2.84Å; R212-V214 VanDerWaalsContact O-N 3.11Å; R212-D215 PolarHBondContact O-N 3.22Å |
| 213 | E | 98.5 | Very high | 96.7 | Very high | 50 Ų | 50 | 38 Ų | 38 | 23% | 0.234 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -21.1 | -176.3 | -53.3 | 76.2 | -159.6 | 0 | 0 | 112.5 | G211 D215 L216 W217 P276 R279 | G211-E213 WeakPolarHBondContact CA-OE2 3.5Å; G211-E213 PolarHBondContact N-OE2 3.03Å; G211-E213 PolarHBondContact O-N 2.83Å; E213-D215 VanDerWaalsContact C-N 3.28Å; E213-D215 PolarHBondContact O-N 3.05Å; E213-L216 PolarHBondContact O-N 2.9Å; E213-L216 VanDerWaalsContact O-N 3.12Å; E213-W217 PolarHBondContact O-N 2.95Å; E213-P276 HydrophobicContact CB-CB 3.92Å; E213-P276 HydrophobicContact CG-CB 4.06Å; E213-R279 VanDerWaalsContact C-NH1 3.35Å; E213-R279 PolarHBondContact O-NH1 2.83Å |
| 214 | V | 98.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.03 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.3 | -32.4 | 178.7 | -54.2 | 0 | 0 | 0 | 0 | 112.7 | V150 A195 E197 I198 Y210 G211 R212 L216 W217 A218 | V150-V214 HydrophobicContact CG1-CG2 4.02Å; A195-V214 HydrophobicContact CB-CB 3.95Å; A195-V214 HydrophobicContact CB-CG1 3.93Å; E197-V214 HydrophobicContact CG-CG1 4.07Å; I198-V214 HydrophobicContact CD1-CB 3.95Å; I198-V214 HydrophobicContact CD1-CG1 3.86Å; I198-V214 HydrophobicContact CD1-CG2 4.39Å; I198-V214 HydrophobicContact CG1-CB 4.4Å; I198-V214 HydrophobicContact CG1-CG1 3.76Å; Y210-V214 HydrophobicContact CD2-CB 4.5Å; Y210-V214 HydrophobicContact CD2-CG1 3.53Å; Y210-V214 HydrophobicContact CD2-CG2 4.2Å; Y210-V214 HydrophobicContact CE2-CG1 4.4Å; Y210-V214 HydrophobicContact CE2-CG2 4.42Å; Y210-V214 HydrophobicContact CG-CG1 3.91Å; G211-V214 WeakPolarHBondContact O-CG2 3.4Å; R212-V214 PolarHBondContact O-N 2.84Å; R212-V214 VanDerWaalsContact O-N 3.11Å; V214-L216 PolarHBondContact O-N 3.34Å; V214-W217 WeakPolarHBondContact O-CB 3.04Å; V214-W217 PolarHBondContact O-N 2.82Å; V214-A218 PolarHBondContact O-N 3.37Å; V214-A218 VanDerWaalsContact O-N 3.15Å |
| 215 | D | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.3 | -30.3 | 176.3 | -73.6 | -20.9 | 0 | 0 | 0 | 111 | V141 H145 V150 H151 R152 L154 R212 E213 A218 C219 | V141-D215 HydrophobicContact CG1-CB 4.14Å; H145-D215 IonicContact CD2-OD2 3.25Å; H145-D215 IonicContact CE1-OD2 3.47Å; H145-D215 IonicContact NE2-OD2 2.77Å; H145-D215 PolarHBondContact NE2-OD2 2.89Å; V150-D215 WeakPolarHBondContact CG1-OD2 3.31Å; H151-D215 PolarHBondContact N-OD1 3.3Å; H151-D215 PolarHBondContact N-OD2 3.27Å; R152-D215 PolarHBondContact N-OD1 3.46Å; L154-D215 HydrophobicContact CD1-CB 3.63Å; L154-D215 WeakPolarHBondContact CD1-O 3.18Å; R212-D215 PolarHBondContact O-N 3.22Å; E213-D215 VanDerWaalsContact C-N 3.28Å; E213-D215 PolarHBondContact O-N 3.05Å; D215-A218 PolarHBondContact O-N 3.05Å; D215-C219 PolarHBondContact O-N 3.21Å; D215-C219 PolarHBondContact O-SG 2.83Å |
| 216 | L | 98.9 | Very high | 97.7 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -77.7 | -33.5 | -179.5 | -76.2 | -63.5 | 0 | 0 | 0 | 111.6 | L138 V141 H145 E213 V214 C219 G220 L271 R279 L280 A282 | L138-L216 HydrophobicContact CD2-CD1 3.83Å; V141-L216 HydrophobicContact CG1-CD2 4.02Å; H145-L216 WeakPolarHBondContact CE1-CD2 3.46Å; E213-L216 PolarHBondContact O-N 2.9Å; E213-L216 VanDerWaalsContact O-N 3.12Å; V214-L216 PolarHBondContact O-N 3.34Å; L216-C219 WeakPolarHBondContact O-CB 3.29Å; L216-C219 PolarHBondContact O-N 3.23Å; L216-G220 PolarHBondContact O-N 2.84Å; L216-L271 HydrophobicContact CB-CD2 4.22Å; L216-L271 HydrophobicContact CD1-CD2 4Å; L216-R279 HydrophobicContact CB-CG 4.43Å; L216-L280 VanDerWaalsContact CG-O 3.27Å; L216-L280 WeakPolarHBondContact CG-O 3.25Å; L216-A282 HydrophobicContact CD1-CB 4.1Å |
| 217 | W | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.4 | -49.4 | 167.7 | 176.8 | -89.5 | 0 | 0 | 0 | 110.7 | L194 A195 P196 E213 V214 C219 G220 V221 F233 I245 L272 V274 | L194-W217 PolarHBondContact O-NE1 3.48Å; A195-W217 HydrophobicContact CB-CB 3.76Å; A195-W217 HydrophobicContact CB-CD2 4.38Å; A195-W217 HydrophobicContact CB-CG 3.77Å; P196-W217 HydrophobicContact CG-CD2 4.43Å; P196-W217 HydrophobicContact CG-CE3 4.11Å; P196-W217 HydrophobicContact CG-CH2 3.48Å; P196-W217 VanDerWaalsContact CG-CH2 3.48Å; P196-W217 HydrophobicContact CG-CZ2 3.84Å; P196-W217 HydrophobicContact CG-CZ3 3.64Å; E213-W217 PolarHBondContact O-N 2.95Å; V214-W217 WeakPolarHBondContact O-CB 3.04Å; V214-W217 PolarHBondContact O-N 2.82Å; W217-C219 VanDerWaalsContact C-N 3.31Å; W217-C219 PolarHBondContact O-N 2.89Å; W217-G220 WeakPolarHBondContact O-CA 3.49Å; W217-G220 PolarHBondContact O-N 3.18Å; W217-V221 PolarHBondContact O-N 2.88Å; W217-F233 AromaticContact CE2-CE2 3.99Å; W217-F233 HydrophobicContact CH2-CE2 4.12Å; W217-F233 AromaticContact CH2-CZ 3.75Å; W217-F233 HydrophobicContact CH2-CZ 3.75Å; W217-F233 HydrophobicContact CZ2-CD2 4.31Å; W217-F233 HydrophobicContact CZ2-CE1 4.47Å; W217-F233 AromaticContact CZ2-CE2 3.35Å; W217-F233 HydrophobicContact CZ2-CE2 3.35Å; W217-F233 AromaticContact CZ2-CZ 3.46Å; W217-F233 HydrophobicContact CZ2-CZ 3.46Å; W217-F233 VanDerWaalsContact CZ2-CZ 3.46Å; W217-I245 HydrophobicContact CZ2-CG2 3.92Å; W217-L272 HydrophobicContact CD2-CD2 3.95Å; W217-L272 HydrophobicContact CE3-CD2 4.13Å; W217-L272 HydrophobicContact CG-CD2 4.41Å; W217-L272 HydrophobicContact CZ2-CD2 4.41Å; W217-L272 HydrophobicContact CZ3-CB 4.29Å; W217-L272 HydrophobicContact CZ3-CD2 4.44Å; W217-V274 HydrophobicContact CZ3-CG2 4.48Å |
| 218 | A | 98.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 13.9 Ų | 13.9 | 4% | 0.041 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.6 | -39.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L154 V214 D215 G220 V221 I222 | L154-A218 HydrophobicContact CB-CB 3.78Å; V214-A218 PolarHBondContact O-N 3.37Å; V214-A218 VanDerWaalsContact O-N 3.15Å; D215-A218 PolarHBondContact O-N 3.05Å; A218-G220 VanDerWaalsContact C-N 3.3Å; A218-G220 PolarHBondContact O-N 3.34Å; A218-V221 PolarHBondContact O-N 3.34Å; A218-I222 VanDerWaalsContact O-CG1 3.27Å; A218-I222 WeakPolarHBondContact O-CG1 3.39Å; A218-I222 PolarHBondContact O-N 3.19Å |
| 219 | C | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -58.3 | -39.6 | 170.4 | -71.7 | 0 | 0 | 0 | 0 | 112.6 | M134 L138 D215 L216 W217 I222 L223 | M134-C219 HydrophobicContact CE-CB 4.05Å; M134-C219 WeakPolarHBondContact CE-O 3.48Å; L138-C219 HydrophobicContact CD2-CB 4.25Å; D215-C219 PolarHBondContact O-N 3.21Å; D215-C219 PolarHBondContact O-SG 2.83Å; L216-C219 WeakPolarHBondContact O-CB 3.29Å; L216-C219 PolarHBondContact O-N 3.23Å; W217-C219 VanDerWaalsContact C-N 3.31Å; W217-C219 PolarHBondContact O-N 2.89Å; C219-I222 PolarHBondContact O-N 2.95Å; C219-L223 WeakPolarHBondContact O-CB 3.46Å; C219-L223 PolarHBondContact O-N 2.9Å |
| 220 | G | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L216 W217 A218 L223 F224 | L216-G220 PolarHBondContact O-N 2.84Å; W217-G220 WeakPolarHBondContact O-CA 3.49Å; W217-G220 PolarHBondContact O-N 3.18Å; A218-G220 VanDerWaalsContact C-N 3.3Å; A218-G220 PolarHBondContact O-N 3.34Å; G220-L223 PolarHBondContact O-N 2.84Å; G220-F224 WeakPolarHBondContact O-CB 3.21Å; G220-F224 PolarHBondContact O-N 3.36Å |
| 221 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.6 | -43.6 | 175.9 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | Y193 W217 A218 F224 T225 P232 F233 L272 | Y193-V221 HydrophobicContact CD1-CB 3.81Å; Y193-V221 HydrophobicContact CD1-CG1 3.39Å; Y193-V221 HydrophobicContact CE1-CB 4.23Å; Y193-V221 HydrophobicContact CE1-CG1 3.5Å; Y193-V221 VanDerWaalsContact CE1-CG1 3.5Å; Y193-V221 HydrophobicContact CG-CG1 4.22Å; W217-V221 PolarHBondContact O-N 2.88Å; A218-V221 PolarHBondContact O-N 3.34Å; V221-F224 PolarHBondContact O-N 2.9Å; V221-T225 VanDerWaalsContact O-CB 3.29Å; V221-T225 WeakPolarHBondContact O-CB 3.3Å; V221-T225 PolarHBondContact O-N 3.37Å; V221-T225 PolarHBondContact O-OG1 3.37Å; V221-P232 HydrophobicContact CB-CG 4.38Å; V221-P232 HydrophobicContact CG1-CG 4.03Å; V221-P232 HydrophobicContact CG2-CG 4.24Å; V221-F233 HydrophobicContact CG2-CD2 4.41Å; V221-F233 HydrophobicContact CG2-CE2 4.13Å; V221-L272 HydrophobicContact CG2-CD2 3.78Å |
| 222 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62 | -50.8 | 176.2 | -67.8 | 162.2 | 0 | 0 | 0 | 110.4 | M134 L137 L154 P156 I159 Y193 A218 C219 F224 T225 L226 | M134-I222 HydrophobicContact SD-CG2 3.94Å; L137-I222 HydrophobicContact CD2-CD1 3.99Å; L137-I222 HydrophobicContact CD2-CG2 4.3Å; L154-I222 HydrophobicContact CB-CD1 4.13Å; P156-I222 HydrophobicContact CG-CG1 4.35Å; I159-I222 HydrophobicContact CD1-CD1 4.03Å; I159-I222 HydrophobicContact CD1-CG2 4.47Å; Y193-I222 HydrophobicContact CD1-CG1 4.27Å; Y193-I222 HydrophobicContact CE1-CG1 3.98Å; A218-I222 VanDerWaalsContact O-CG1 3.27Å; A218-I222 WeakPolarHBondContact O-CG1 3.39Å; A218-I222 PolarHBondContact O-N 3.19Å; C219-I222 PolarHBondContact O-N 2.95Å; I222-F224 VanDerWaalsContact C-N 3.34Å; I222-F224 PolarHBondContact O-N 2.7Å; I222-T225 PolarHBondContact O-N 3.37Å; I222-T225 VanDerWaalsContact O-N 3.08Å; I222-L226 HydrophobicContact CG2-CD1 3.82Å; I222-L226 HydrophobicContact CG2-CG 4.09Å; I222-L226 VanDerWaalsContact O-CG 3.28Å; I222-L226 WeakPolarHBondContact O-CG 3.42Å; I222-L226 PolarHBondContact O-N 3.17Å |
| 223 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -56.3 | -46.9 | 178.7 | 171.8 | 54 | 0 | 0 | 0 | 111.7 | T130 M134 C219 G220 T225 L227 V264 L267 I268 L271 | T130-L223 HydrophobicContact CG2-CD1 3.41Å; T130-L223 VanDerWaalsContact CG2-CD1 3.41Å; M134-L223 HydrophobicContact CE-CB 4.01Å; M134-L223 HydrophobicContact CG-CB 4.27Å; M134-L223 HydrophobicContact CG-CD1 3.98Å; M134-L223 HydrophobicContact SD-CB 4.05Å; C219-L223 WeakPolarHBondContact O-CB 3.46Å; C219-L223 PolarHBondContact O-N 2.9Å; G220-L223 PolarHBondContact O-N 2.84Å; L223-T225 VanDerWaalsContact C-N 3.34Å; L223-T225 PolarHBondContact O-N 3.17Å; L223-L227 HydrophobicContact CD1-CD1 3.78Å; L223-L227 HydrophobicContact CD1-CG 4.38Å; L223-L227 WeakPolarHBondContact O-CG 3.36Å; L223-L227 PolarHBondContact O-N 3.15Å; L223-V264 HydrophobicContact CD1-CG2 3.86Å; L223-V264 HydrophobicContact CD2-CG2 4.38Å; L223-V264 HydrophobicContact CG-CG2 4.45Å; L223-L267 HydrophobicContact CD2-CB 4.3Å; L223-L267 HydrophobicContact CD2-CD2 3.67Å; L223-L267 HydrophobicContact CD2-CG 3.75Å; L223-I268 HydrophobicContact CB-CG1 4.35Å; L223-I268 HydrophobicContact CD2-CD1 4.45Å; L223-I268 HydrophobicContact CD2-CG1 3.55Å; L223-I268 HydrophobicContact CG-CD1 4.03Å; L223-I268 HydrophobicContact CG-CG1 3.55Å; L223-L271 HydrophobicContact CD2-CD1 4.18Å |
| 224 | F | 98.6 | Very high | 96.6 | Very high | 8 Ų | 8 | 10.1 Ų | 10.1 | 4% | 0.035 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -57.3 | -50.1 | 174.4 | -174.1 | -74.7 | 0 | 0 | 0 | 110.9 | G220 V221 I222 L226 L227 A228 S230 P232 Y250 F252 W257 I268 | G220-F224 WeakPolarHBondContact O-CB 3.21Å; G220-F224 PolarHBondContact O-N 3.36Å; V221-F224 PolarHBondContact O-N 2.9Å; I222-F224 VanDerWaalsContact C-N 3.34Å; I222-F224 PolarHBondContact O-N 2.7Å; F224-L226 PolarHBondContact O-N 3.39Å; F224-L227 PolarHBondContact O-N 2.98Å; F224-A228 HydrophobicContact CD1-CB 3.99Å; F224-A228 HydrophobicContact CE1-CB 3.69Å; F224-A228 HydrophobicContact CZ-CB 4.44Å; F224-A228 WeakPolarHBondContact O-CB 3.28Å; F224-A228 PolarHBondContact O-N 3.14Å; F224-S230 WeakPolarHBondContact CD1-O 3.44Å; F224-S230 WeakPolarHBondContact CE1-O 3.24Å; F224-P232 HydrophobicContact CB-CB 4.38Å; F224-P232 HydrophobicContact CB-CG 4.16Å; F224-P232 HydrophobicContact CD1-CB 3.71Å; F224-P232 HydrophobicContact CD1-CG 4.04Å; F224-P232 HydrophobicContact CD2-CB 3.88Å; F224-P232 HydrophobicContact CE1-CB 3.88Å; F224-P232 HydrophobicContact CE2-CB 4.04Å; F224-P232 HydrophobicContact CG-CB 3.72Å; F224-P232 HydrophobicContact CG-CG 4.01Å; F224-P232 HydrophobicContact CZ-CB 4.04Å; F224-Y250 HydrophobicContact CD2-CD2 4.34Å; F224-Y250 HydrophobicContact CE2-CD2 4.03Å; F224-F252 HydrophobicContact CD2-CD1 4.43Å; F224-F252 HydrophobicContact CD2-CE1 4.04Å; F224-F252 AromaticContact CE2-CD1 3.94Å; F224-F252 HydrophobicContact CE2-CD1 3.94Å; F224-F252 AromaticContact CE2-CE1 3.98Å; F224-F252 HydrophobicContact CE2-CE1 3.98Å; F224-W257 AromaticContact CD1-CZ2 3.99Å; F224-W257 HydrophobicContact CD1-CZ2 3.99Å; F224-W257 AromaticContact CD2-CH2 3.98Å; F224-W257 HydrophobicContact CD2-CH2 3.98Å; F224-W257 AromaticContact CD2-CZ2 3.44Å; F224-W257 HydrophobicContact CD2-CZ2 3.44Å; F224-W257 VanDerWaalsContact CD2-CZ2 3.44Å; F224-W257 AromaticContact CE1-CZ2 3.96Å; F224-W257 HydrophobicContact CE1-CZ2 3.96Å; F224-W257 AromaticContact CE2-CE2 3.78Å; F224-W257 HydrophobicContact CE2-CH2 4.3Å; F224-W257 AromaticContact CE2-CZ2 3.42Å; F224-W257 HydrophobicContact CE2-CZ2 3.42Å; F224-W257 VanDerWaalsContact CE2-CZ2 3.42Å; F224-W257 AromaticContact CE2-NE1 3.87Å; F224-W257 HydrophobicContact CG-CH2 4.29Å; F224-W257 AromaticContact CG-CZ2 3.73Å; F224-W257 HydrophobicContact CG-CZ2 3.73Å; F224-W257 AromaticContact CZ-CE2 3.85Å; F224-W257 AromaticContact CZ-CZ2 3.69Å; F224-W257 HydrophobicContact CZ-CZ2 3.69Å; F224-W257 AromaticContact CZ-NE1 3.53Å; F224-I268 HydrophobicContact CB-CD1 4.37Å; F224-I268 HydrophobicContact CB-CG2 4.47Å; F224-I268 HydrophobicContact CD2-CD1 4.46Å; F224-I268 HydrophobicContact CD2-CG2 4.14Å |
| 225 | T | 96.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 13.3 Ų | 13.3 | 3% | 0.031 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.4 | -39.8 | -175 | -56.9 | 0 | 0 | 0 | 0 | 112.3 | L119 V221 I222 L223 L227 G229 P231 | L119-T225 HydrophobicContact CD2-CG2 3.82Å; V221-T225 VanDerWaalsContact O-CB 3.29Å; V221-T225 WeakPolarHBondContact O-CB 3.3Å; V221-T225 PolarHBondContact O-N 3.37Å; V221-T225 PolarHBondContact O-OG1 3.37Å; I222-T225 PolarHBondContact O-N 3.37Å; I222-T225 VanDerWaalsContact O-N 3.08Å; L223-T225 VanDerWaalsContact C-N 3.34Å; L223-T225 PolarHBondContact O-N 3.17Å; T225-L227 VanDerWaalsContact C-N 3.26Å; T225-L227 PolarHBondContact O-N 2.96Å; T225-G229 VanDerWaalsContact O-CA 3.28Å; T225-G229 WeakPolarHBondContact O-CA 3.39Å; T225-G229 PolarHBondContact O-N 3.09Å; T225-P231 WeakPolarHBondContact OG1-CA 3.46Å |
| 226 | L | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.3 | -33.6 | 177.2 | -67.6 | 174.9 | 0 | 0 | 0 | 112.3 | L115 L119 L125 T130 I133 M134 I222 F224 | L115-L226 HydrophobicContact CD1-CD2 4.06Å; L115-L226 HydrophobicContact CD2-CD1 4.44Å; L115-L226 HydrophobicContact CD2-CD2 3.94Å; L115-L226 HydrophobicContact CG-CD2 4.03Å; L119-L226 HydrophobicContact CD1-CD2 4.34Å; L119-L226 HydrophobicContact CD2-CD2 4.24Å; L125-L226 HydrophobicContact CD1-CB 4.42Å; L125-L226 HydrophobicContact CD1-CD2 3.83Å; L125-L226 PolarHBondContact N-O 3.42Å; T130-L226 HydrophobicContact CG2-CB 4.06Å; T130-L226 HydrophobicContact CG2-CD1 4.12Å; I133-L226 HydrophobicContact CG2-CD1 3.95Å; M134-L226 HydrophobicContact CG-CD1 4.45Å; M134-L226 HydrophobicContact SD-CD1 4.05Å; I222-L226 HydrophobicContact CG2-CD1 3.82Å; I222-L226 HydrophobicContact CG2-CG 4.09Å; I222-L226 VanDerWaalsContact O-CG 3.28Å; I222-L226 WeakPolarHBondContact O-CG 3.42Å; I222-L226 PolarHBondContact O-N 3.17Å; F224-L226 PolarHBondContact O-N 3.39Å |
| 227 | L | 96.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -89 | -41.5 | -177.4 | -66.3 | 170.8 | 0 | 0 | 0 | 113.3 | E127 T130 L223 F224 T225 W257 R260 V264 I268 | E127-L227 HydrophobicContact CG-CD2 3.9Å; T130-L227 HydrophobicContact CG2-CD2 4.02Å; T130-L227 HydrophobicContact CG2-CG 4.05Å; T130-L227 WeakPolarHBondContact OG1-CD2 3.31Å; L223-L227 HydrophobicContact CD1-CD1 3.78Å; L223-L227 HydrophobicContact CD1-CG 4.38Å; L223-L227 WeakPolarHBondContact O-CG 3.36Å; L223-L227 PolarHBondContact O-N 3.15Å; F224-L227 PolarHBondContact O-N 2.98Å; T225-L227 VanDerWaalsContact C-N 3.26Å; T225-L227 PolarHBondContact O-N 2.96Å; L227-W257 HydrophobicContact CB-CH2 3.89Å; L227-W257 HydrophobicContact CB-CZ2 4.48Å; L227-W257 HydrophobicContact CB-CZ3 4.32Å; L227-W257 HydrophobicContact CD1-CH2 4.05Å; L227-W257 HydrophobicContact CD1-CZ3 4.11Å; L227-R260 PolarHBondContact O-NH2 2.85Å; L227-V264 HydrophobicContact CD1-CB 4.36Å; L227-V264 HydrophobicContact CD1-CG1 3.96Å; L227-V264 HydrophobicContact CD1-CG2 3.45Å; L227-V264 VanDerWaalsContact CD1-CG2 3.45Å; L227-I268 HydrophobicContact CD1-CD1 4.22Å |
| 228 | A | 92.9 | Very high | 94.7 | Very high | 11 Ų | 11 | 35.6 Ų | 35.6 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -78.6 | -34 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F224 S230 W257 | F224-A228 HydrophobicContact CD1-CB 3.99Å; F224-A228 HydrophobicContact CE1-CB 3.69Å; F224-A228 HydrophobicContact CZ-CB 4.44Å; F224-A228 WeakPolarHBondContact O-CB 3.28Å; F224-A228 PolarHBondContact O-N 3.14Å; A228-S230 VanDerWaalsContact C-N 3.26Å; A228-W257 HydrophobicContact CB-CZ2 3.85Å |
| 229 | G | 90.6 | Very high | 94.4 | Very high | 4 Ų | 4 | 40 Ų | 40 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 76.4 | 15.2 | -165.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V123 T225 R370 | V123-G229 WeakPolarHBondContact O-CA 3.44Å; T225-G229 VanDerWaalsContact O-CA 3.28Å; T225-G229 WeakPolarHBondContact O-CA 3.39Å; T225-G229 PolarHBondContact O-N 3.09Å; G229-R370 PolarHBondContact O-NE 3.19Å; G229-R370 PolarHBondContact O-NH2 3.17Å |
| 230 | S | 90.4 | Very high | 94.1 | Very high | 48 Ų | 48 | 42.9 Ų | 42.9 | 34% | 0.336 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -152 | 148.9 | 175.1 | 58.5 | 0 | 0 | 0 | 0 | 109.3 | F224 A228 | F224-S230 WeakPolarHBondContact CD1-O 3.44Å; F224-S230 WeakPolarHBondContact CE1-O 3.24Å; A228-S230 VanDerWaalsContact C-N 3.26Å |
| 231 | P | 94.4 | Very high | 93.9 | Very high | 15 Ų | 15 | 43.5 Ų | 43.5 | 10% | 0.097 | 20% | 0.198 | C | C | . | . | trans | -66.3 | 152.1 | 178.2 | 28.5 | -36.1 | 0 | 0 | 0 | 112.2 | T225 F233 W234 | T225-P231 WeakPolarHBondContact OG1-CA 3.46Å; P231-F233 VanDerWaalsContact C-N 3.33Å; P231-W234 HydrophobicContact CG-CB 4.05Å | ||
| 232 | P | 96.2 | Very high | 93.7 | Very high | 12 Ų | 12 | 44.6 Ų | 44.6 | 8% | 0.078 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -67.4 | -33.3 | 176.7 | 24.2 | -30.1 | 0 | 0 | 0 | 112.8 | V221 F224 Y250 L272 | V221-P232 HydrophobicContact CB-CG 4.38Å; V221-P232 HydrophobicContact CG1-CG 4.03Å; V221-P232 HydrophobicContact CG2-CG 4.24Å; F224-P232 HydrophobicContact CB-CB 4.38Å; F224-P232 HydrophobicContact CB-CG 4.16Å; F224-P232 HydrophobicContact CD1-CB 3.71Å; F224-P232 HydrophobicContact CD1-CG 4.04Å; F224-P232 HydrophobicContact CD2-CB 3.88Å; F224-P232 HydrophobicContact CE1-CB 3.88Å; F224-P232 HydrophobicContact CE2-CB 4.04Å; F224-P232 HydrophobicContact CG-CB 3.72Å; F224-P232 HydrophobicContact CG-CG 4.01Å; F224-P232 HydrophobicContact CZ-CB 4.04Å; P232-Y250 HydrophobicContact CB-CG 4.36Å; P232-L272 HydrophobicContact CB-CD1 4.36Å; P232-L272 HydrophobicContact CG-CD1 4.28Å |
| 233 | F | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -115 | 113.8 | 179.6 | -45.3 | -72.2 | 0 | 0 | 0 | 109 | W217 V221 P231 M241 M244 I245 Y250 L272 | W217-F233 AromaticContact CE2-CE2 3.99Å; W217-F233 HydrophobicContact CH2-CE2 4.12Å; W217-F233 AromaticContact CH2-CZ 3.75Å; W217-F233 HydrophobicContact CH2-CZ 3.75Å; W217-F233 HydrophobicContact CZ2-CD2 4.31Å; W217-F233 HydrophobicContact CZ2-CE1 4.47Å; W217-F233 AromaticContact CZ2-CE2 3.35Å; W217-F233 HydrophobicContact CZ2-CE2 3.35Å; W217-F233 AromaticContact CZ2-CZ 3.46Å; W217-F233 HydrophobicContact CZ2-CZ 3.46Å; W217-F233 VanDerWaalsContact CZ2-CZ 3.46Å; V221-F233 HydrophobicContact CG2-CD2 4.41Å; V221-F233 HydrophobicContact CG2-CE2 4.13Å; P231-F233 VanDerWaalsContact C-N 3.33Å; F233-M241 HydrophobicContact CB-CG 4.31Å; F233-M244 HydrophobicContact CD1-CB 4.14Å; F233-I245 HydrophobicContact CB-CD1 4.33Å; F233-I245 HydrophobicContact CB-CG1 3.68Å; F233-I245 HydrophobicContact CD1-CG1 4.19Å; F233-I245 HydrophobicContact CD2-CG1 3.75Å; F233-I245 HydrophobicContact CE2-CG1 4.46Å; F233-I245 HydrophobicContact CG-CG1 3.59Å; F233-Y250 HydrophobicContact CE1-CD1 4.01Å; F233-Y250 HydrophobicContact CE1-CG 4.4Å; F233-Y250 AromaticContact CZ-CD1 3.93Å; F233-Y250 HydrophobicContact CZ-CD1 3.93Å; F233-Y250 HydrophobicContact CZ-CG 4.46Å; F233-L272 HydrophobicContact CE2-CD2 4.38Å; F233-L272 HydrophobicContact CZ-CD1 4.46Å |
| 234 | W | 91.6 | Very high | 93.5 | Very high | 95 Ų | 95 | 54.1 Ų | 54.1 | 36% | 0.36 | 24% | 0.243 | S | C | . | . | trans | -152.6 | 135.9 | 173.7 | -174.9 | 80.2 | 0 | 0 | 0 | 112 | P231 A371 | P231-W234 HydrophobicContact CG-CB 4.05Å; W234-A371 VanDerWaalsContact CD1-CB 3.43Å; W234-A371 HydrophobicContact CD2-CB 3.49Å; W234-A371 VanDerWaalsContact CD2-CB 3.49Å; W234-A371 HydrophobicContact CE3-CB 4.28Å; W234-A371 HydrophobicContact CG-CB 3.63Å; W234-A371 HydrophobicContact CH2-CB 4.46Å; W234-A371 HydrophobicContact CZ2-CB 3.74Å | ||
| 235 | H | 90.6 | Very high | 93.4 | Very high | 72 Ų | 72 | 53.7 Ų | 53.7 | 33% | 0.333 | 24% | 0.241 | S | C | . | . | trans | -152.3 | 148.7 | 170.7 | -168.3 | -87.8 | 0 | 0 | 0 | 110 | R237 L240 M241 M244 | H235-R237 VanDerWaalsContact C-N 3.26Å; H235-R237 PolarHBondContact ND1-N 3.07Å; H235-R237 PolarHBondContact ND1-O 3.32Å; H235-R237 PolarHBondContact O-N 3.35Å; H235-L240 HydrophobicContact CB-CB 4.12Å; H235-L240 WeakPolarHBondContact CE1-CD1 3.41Å; H235-M241 HydrophobicContact CB-CB 4.12Å; H235-M244 HydrophobicContact CB-SD 4.47Å | ||
| 236 | R | 86.7 | Confident | 93.4 | Very high | 193 Ų | 193 | 56 Ų | 56 | 73% | 0.728 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -60.1 | -36 | 179.3 | -175.3 | 178.8 | 178.9 | -171.6 | -0.2 | 113 | ||
| 237 | R | 88.9 | Confident | 93.3 | Very high | 163 Ų | 163 | 59.8 Ų | 59.8 | 62% | 0.615 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -91.2 | 114.8 | 171.6 | -63.5 | 177.9 | 64.3 | -173.8 | 0.6 | 108.9 | H235 I239 L240 M241 | H235-R237 VanDerWaalsContact C-N 3.26Å; H235-R237 PolarHBondContact ND1-N 3.07Å; H235-R237 PolarHBondContact ND1-O 3.32Å; H235-R237 PolarHBondContact O-N 3.35Å; R237-I239 VanDerWaalsContact C-N 3.27Å; R237-I239 HydrophobicContact CB-CG2 4.35Å; R237-I239 PolarHBondContact O-N 3.49Å; R237-L240 HydrophobicContact CB-CD1 4.23Å; R237-L240 HydrophobicContact CB-CG 4.27Å; R237-L240 PolarHBondContact O-N 3.26Å; R237-M241 PolarHBondContact O-N 2.87Å |
| 238 | Q | 89.4 | Confident | 93.3 | Very high | 116 Ų | 116 | 60.5 Ų | 60.5 | 54% | 0.542 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -53.1 | -41.9 | -178.3 | -177 | 171.6 | -32.4 | 0 | 0 | 112.6 | L240 M241 L242 | Q238-L240 PolarHBondContact O-N 2.82Å; Q238-M241 HydrophobicContact CG-CE 4.17Å; Q238-M241 WeakPolarHBondContact O-CA 3.4Å; Q238-M241 WeakPolarHBondContact O-CB 3.12Å; Q238-M241 PolarHBondContact O-N 2.74Å; Q238-L242 HydrophobicContact CG-CD1 4.37Å; Q238-L242 HydrophobicContact CG-CG 4.27Å; Q238-L242 WeakPolarHBondContact O-CG 3.45Å; Q238-L242 PolarHBondContact O-N 2.94Å |
| 239 | I | 90.8 | Very high | 93.4 | Very high | 96 Ų | 96 | 65.2 Ų | 65.2 | 49% | 0.492 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -56.9 | -34.6 | 178.7 | -168.6 | 60.3 | 0 | 0 | 0 | 113.7 | R237 R243 | R237-I239 VanDerWaalsContact C-N 3.27Å; R237-I239 HydrophobicContact CB-CG2 4.35Å; R237-I239 PolarHBondContact O-N 3.49Å; I239-R243 PolarHBondContact O-N 2.9Å; I239-R243 VanDerWaalsContact O-N 3.09Å |
| 240 | L | 94.1 | Very high | 93.7 | Very high | 61 Ų | 61 | 67.6 Ų | 67.6 | 32% | 0.319 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -76.6 | -33.8 | 177.6 | -64.4 | 179.2 | 0 | 0 | 0 | 111.5 | H235 R237 Q238 R243 M244 | H235-L240 HydrophobicContact CB-CB 4.12Å; H235-L240 WeakPolarHBondContact CE1-CD1 3.41Å; R237-L240 HydrophobicContact CB-CD1 4.23Å; R237-L240 HydrophobicContact CB-CG 4.27Å; R237-L240 PolarHBondContact O-N 3.26Å; Q238-L240 PolarHBondContact O-N 2.82Å; L240-R243 PolarHBondContact O-N 2.97Å; L240-M244 WeakPolarHBondContact O-CG 3.48Å; L240-M244 PolarHBondContact O-N 3.34Å |
| 241 | M | 94.7 | Very high | 93.9 | Very high | 13 Ų | 13 | 71.9 Ų | 71.9 | 6% | 0.064 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64 | -44.2 | 171.5 | -179.8 | -172.2 | 76.7 | 0 | 0 | 111.1 | P191 F233 H235 R237 Q238 R243 M244 I245 | P191-M241 HydrophobicContact CB-CE 3.69Å; F233-M241 HydrophobicContact CB-CG 4.31Å; H235-M241 HydrophobicContact CB-CB 4.12Å; R237-M241 PolarHBondContact O-N 2.87Å; Q238-M241 HydrophobicContact CG-CE 4.17Å; Q238-M241 WeakPolarHBondContact O-CA 3.4Å; Q238-M241 WeakPolarHBondContact O-CB 3.12Å; Q238-M241 PolarHBondContact O-N 2.74Å; M241-R243 VanDerWaalsContact C-N 3.29Å; M241-R243 PolarHBondContact O-N 2.73Å; M241-M244 WeakPolarHBondContact O-CB 3.25Å; M241-M244 PolarHBondContact O-N 2.86Å; M241-I245 HydrophobicContact CG-CD1 4.32Å; M241-I245 WeakPolarHBondContact O-CG1 3.46Å; M241-I245 PolarHBondContact O-N 2.93Å |
| 242 | L | 94 | Very high | 94 | Very high | 23 Ų | 23 | 74.2 Ų | 74.2 | 12% | 0.12 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60.6 | -40 | 175.9 | -63.2 | -177 | 0 | 0 | 0 | 111.5 | P191 L199 Q238 I245 M246 | P191-L242 HydrophobicContact CB-CD2 4.49Å; L199-L242 HydrophobicContact CD1-CB 4.18Å; L199-L242 HydrophobicContact CD1-CD2 3.98Å; L199-L242 HydrophobicContact CD2-CD2 3.95Å; Q238-L242 HydrophobicContact CG-CD1 4.37Å; Q238-L242 HydrophobicContact CG-CG 4.27Å; Q238-L242 WeakPolarHBondContact O-CG 3.45Å; Q238-L242 PolarHBondContact O-N 2.94Å; L242-I245 HydrophobicContact CD2-CD1 4.39Å; L242-I245 WeakPolarHBondContact O-CB 3.33Å; L242-I245 PolarHBondContact O-N 2.92Å; L242-M246 WeakPolarHBondContact O-CG 3.4Å; L242-M246 PolarHBondContact O-N 3.4Å |
| 243 | R | 95.8 | Very high | 93.5 | Very high | 149 Ų | 149 | 75.7 Ų | 75.7 | 56% | 0.562 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.2 | -44.9 | 173.3 | -176 | 178.1 | 176.4 | 175.8 | 0.7 | 112.4 | I239 L240 M241 I245 M246 E247 | I239-R243 PolarHBondContact O-N 2.9Å; I239-R243 VanDerWaalsContact O-N 3.09Å; L240-R243 PolarHBondContact O-N 2.97Å; M241-R243 VanDerWaalsContact C-N 3.29Å; M241-R243 PolarHBondContact O-N 2.73Å; R243-I245 VanDerWaalsContact C-N 3.28Å; R243-I245 PolarHBondContact O-N 2.9Å; R243-M246 PolarHBondContact O-N 3.17Å; R243-E247 HydrophobicContact CG-CG 4.44Å; R243-E247 WeakPolarHBondContact CG-OE1 3.35Å; R243-E247 IonicContact CZ-OE1 3.15Å; R243-E247 IonicContact NE-OE1 3.57Å; R243-E247 PolarHBondContact NE-OE1 3.38Å; R243-E247 IonicContact NE-OE2 3.72Å; R243-E247 IonicContact NH2-OE1 3.41Å; R243-E247 PolarHBondContact NH2-OE1 3.28Å; R243-E247 WeakPolarHBondContact O-CB 3.33Å; R243-E247 WeakPolarHBondContact O-CG 3.45Å; R243-E247 PolarHBondContact O-N 3.38Å |
| 244 | M | 97.1 | Very high | 92.5 | Very high | 51 Ų | 51 | 79.7 Ų | 79.7 | 25% | 0.251 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 175.9 | -67.8 | 171.2 | 70.4 | 0 | 0 | 112 | F233 H235 L240 M241 G248 Q249 | F233-M244 HydrophobicContact CD1-CB 4.14Å; H235-M244 HydrophobicContact CB-SD 4.47Å; L240-M244 WeakPolarHBondContact O-CG 3.48Å; L240-M244 PolarHBondContact O-N 3.34Å; M241-M244 WeakPolarHBondContact O-CB 3.25Å; M241-M244 PolarHBondContact O-N 2.86Å; M244-G248 PolarHBondContact O-N 3.02Å; M244-Q249 PolarHBondContact O-N 3.44Å |
| 245 | I | 97.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.1 | -52.9 | 175.1 | -68.8 | 166.9 | 0 | 0 | 0 | 109.9 | P191 L194 P196 L199 W217 F233 M241 L242 R243 E247 G248 | P191-I245 VanDerWaalsContact O-CD1 3.25Å; P191-I245 WeakPolarHBondContact O-CD1 3.47Å; L194-I245 WeakPolarHBondContact O-CG2 3.44Å; P196-I245 HydrophobicContact CG-CG2 4.28Å; P196-I245 WeakPolarHBondContact CG-O 3.4Å; L199-I245 HydrophobicContact CD1-CB 4.05Å; L199-I245 HydrophobicContact CD1-CG2 3.67Å; W217-I245 HydrophobicContact CZ2-CG2 3.92Å; F233-I245 HydrophobicContact CB-CD1 4.33Å; F233-I245 HydrophobicContact CB-CG1 3.68Å; F233-I245 HydrophobicContact CD1-CG1 4.19Å; F233-I245 HydrophobicContact CD2-CG1 3.75Å; F233-I245 HydrophobicContact CE2-CG1 4.46Å; F233-I245 HydrophobicContact CG-CG1 3.59Å; M241-I245 HydrophobicContact CG-CD1 4.32Å; M241-I245 WeakPolarHBondContact O-CG1 3.46Å; M241-I245 PolarHBondContact O-N 2.93Å; L242-I245 HydrophobicContact CD2-CD1 4.39Å; L242-I245 WeakPolarHBondContact O-CB 3.33Å; L242-I245 PolarHBondContact O-N 2.92Å; R243-I245 VanDerWaalsContact C-N 3.28Å; R243-I245 PolarHBondContact O-N 2.9Å; I245-E247 PolarHBondContact O-N 3.41Å; I245-G248 PolarHBondContact O-N 3.01Å |
| 246 | M | 95.7 | Very high | 91.8 | Very high | 52 Ų | 52 | 75.5 Ų | 75.5 | 26% | 0.256 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.3 | -36.3 | -178.7 | -70.8 | 174.6 | 72.7 | 0 | 0 | 113.3 | L199 K200 M203 L242 R243 | L199-M246 HydrophobicContact CB-CG 3.92Å; L199-M246 HydrophobicContact CB-SD 4.23Å; L199-M246 HydrophobicContact CD1-CG 3.79Å; K200-M246 HydrophobicContact CG-CE 4.12Å; M203-M246 HydrophobicContact CE-SD 4.01Å; M203-M246 HydrophobicContact SD-CE 3.9Å; M203-M246 HydrophobicContact SD-SD 3.96Å; L242-M246 WeakPolarHBondContact O-CG 3.4Å; L242-M246 PolarHBondContact O-N 3.4Å; R243-M246 PolarHBondContact O-N 3.17Å |
| 247 | E | 96.2 | Very high | 91.9 | Very high | 81 Ų | 81 | 66.5 Ų | 66.5 | 38% | 0.379 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -6.3 | 178.3 | -65.2 | 175.4 | -177.6 | 0 | 0 | 112.8 | R243 I245 Q249 | R243-E247 HydrophobicContact CG-CG 4.44Å; R243-E247 WeakPolarHBondContact CG-OE1 3.35Å; R243-E247 IonicContact CZ-OE1 3.15Å; R243-E247 IonicContact NE-OE1 3.57Å; R243-E247 PolarHBondContact NE-OE1 3.38Å; R243-E247 IonicContact NE-OE2 3.72Å; R243-E247 IonicContact NH2-OE1 3.41Å; R243-E247 PolarHBondContact NH2-OE1 3.28Å; R243-E247 WeakPolarHBondContact O-CB 3.33Å; R243-E247 WeakPolarHBondContact O-CG 3.45Å; R243-E247 PolarHBondContact O-N 3.38Å; I245-E247 PolarHBondContact O-N 3.41Å; E247-Q249 HydrophobicContact CB-CG 3.9Å; E247-Q249 PolarHBondContact O-N 2.72Å; E247-Q249 PolarHBondContact OE2-NE2 3.24Å; E247-Q249 PolarHBondContact OE2-OE1 3.01Å |
| 248 | G | 96.6 | Very high | 91.6 | Very high | 16 Ų | 16 | 63.2 Ų | 63.2 | 17% | 0.165 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 27.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | M244 I245 Y250 | M244-G248 PolarHBondContact O-N 3.02Å; I245-G248 PolarHBondContact O-N 3.01Å; G248-Y250 WeakPolarHBondContact O-CD1 3.43Å; G248-Y250 PolarHBondContact O-N 3.37Å |
| 249 | Q | 95.4 | Very high | 91.4 | Very high | 109 Ų | 109 | 63.7 Ų | 63.7 | 51% | 0.509 | 32% | 0.323 | S | S | . | . | trans | -86.2 | 98.8 | -174.4 | -73.6 | -179.3 | 10.1 | 0 | 0 | 111.8 | M244 E247 | M244-Q249 PolarHBondContact O-N 3.44Å; E247-Q249 HydrophobicContact CB-CG 3.9Å; E247-Q249 PolarHBondContact O-N 2.72Å; E247-Q249 PolarHBondContact OE2-NE2 3.24Å; E247-Q249 PolarHBondContact OE2-OE1 3.01Å | ||
| 250 | Y | 96.8 | Very high | 91.4 | Very high | 54 Ų | 54 | 60.4 Ų | 60.4 | 21% | 0.212 | 31% | 0.305 | C | S | . | . | trans | -133.3 | 164.7 | 168.1 | 66.7 | -83.4 | 0 | 0 | 0 | 110 | F224 P232 F233 G248 F252 I268 S269 L272 | F224-Y250 HydrophobicContact CD2-CD2 4.34Å; F224-Y250 HydrophobicContact CE2-CD2 4.03Å; P232-Y250 HydrophobicContact CB-CG 4.36Å; F233-Y250 HydrophobicContact CE1-CD1 4.01Å; F233-Y250 HydrophobicContact CE1-CG 4.4Å; F233-Y250 AromaticContact CZ-CD1 3.93Å; F233-Y250 HydrophobicContact CZ-CD1 3.93Å; F233-Y250 HydrophobicContact CZ-CG 4.46Å; G248-Y250 WeakPolarHBondContact O-CD1 3.43Å; G248-Y250 PolarHBondContact O-N 3.37Å; Y250-F252 HydrophobicContact CD2-CZ 4.49Å; Y250-F252 HydrophobicContact CE2-CE1 4.13Å; Y250-F252 HydrophobicContact CE2-CE2 4Å; Y250-F252 AromaticContact CE2-CZ 3.68Å; Y250-F252 HydrophobicContact CE2-CZ 3.68Å; Y250-I268 HydrophobicContact CE2-CG2 4.2Å; Y250-S269 VanDerWaalsContact OH-CA 3.28Å; Y250-S269 WeakPolarHBondContact OH-CA 3.43Å; Y250-S269 PolarHBondContact OH-OG 3.39Å; Y250-L272 HydrophobicContact CD1-CB 4.44Å; Y250-L272 HydrophobicContact CD1-CD1 4.1Å; Y250-L272 HydrophobicContact CD2-CD1 4.39Å; Y250-L272 HydrophobicContact CE1-CB 3.76Å; Y250-L272 HydrophobicContact CE1-CD1 4.03Å; Y250-L272 HydrophobicContact CE2-CD1 4.32Å; Y250-L272 HydrophobicContact CG-CD1 4.3Å | ||
| 251 | Q | 94.7 | Very high | 91.3 | Very high | 139 Ų | 139 | 59.2 Ų | 59.2 | 65% | 0.65 | 30% | 0.302 | S | S | * | . | trans | -139.5 | 145.5 | -179 | 62.2 | 178.9 | 15.3 | 0 | 0 | 111.9 | S253 | Q251-S253 VanDerWaalsContact C-N 3.29Å; Q251-S253 PolarHBondContact O-N 3.17Å; Q251-S253 VanDerWaalsContact O-N 3.17Å | ||
| 252 | F | 94.8 | Very high | 91.3 | Very high | 63 Ų | 63 | 64.5 Ų | 64.5 | 28% | 0.276 | 33% | 0.33 | S | S | . | . | trans | -87 | 69.4 | 170.1 | -60.5 | -59.1 | 0 | 0 | 0 | 109.9 | F224 Y250 W257 K265 I268 | F224-F252 HydrophobicContact CD2-CD1 4.43Å; F224-F252 HydrophobicContact CD2-CE1 4.04Å; F224-F252 AromaticContact CE2-CD1 3.94Å; F224-F252 HydrophobicContact CE2-CD1 3.94Å; F224-F252 AromaticContact CE2-CE1 3.98Å; F224-F252 HydrophobicContact CE2-CE1 3.98Å; Y250-F252 HydrophobicContact CD2-CZ 4.49Å; Y250-F252 HydrophobicContact CE2-CE1 4.13Å; Y250-F252 HydrophobicContact CE2-CE2 4Å; Y250-F252 AromaticContact CE2-CZ 3.68Å; Y250-F252 HydrophobicContact CE2-CZ 3.68Å; F252-W257 HydrophobicContact CB-CB 3.89Å; F252-W257 HydrophobicContact CB-CD2 4.12Å; F252-W257 HydrophobicContact CB-CG 3.79Å; F252-W257 AromaticContact CD1-CD2 3.5Å; F252-W257 HydrophobicContact CD1-CD2 3.5Å; F252-W257 AromaticContact CD1-CE2 3.68Å; F252-W257 AromaticContact CD1-CE3 3.55Å; F252-W257 HydrophobicContact CD1-CE3 3.55Å; F252-W257 HydrophobicContact CD1-CG 4.09Å; F252-W257 HydrophobicContact CD1-CH2 4.05Å; F252-W257 AromaticContact CD1-CZ2 3.96Å; F252-W257 HydrophobicContact CD1-CZ2 3.96Å; F252-W257 AromaticContact CD1-CZ3 3.83Å; F252-W257 HydrophobicContact CD1-CZ3 3.83Å; F252-W257 HydrophobicContact CE1-CD2 4.38Å; F252-W257 HydrophobicContact CE1-CE3 4.1Å; F252-W257 AromaticContact CE1-CH2 3.98Å; F252-W257 HydrophobicContact CE1-CH2 3.98Å; F252-W257 HydrophobicContact CE1-CZ2 4.21Å; F252-W257 AromaticContact CE1-CZ3 3.9Å; F252-W257 HydrophobicContact CE1-CZ3 3.9Å; F252-W257 HydrophobicContact CG-CD2 4.25Å; F252-W257 HydrophobicContact CG-CE3 4.36Å; F252-W257 HydrophobicContact CG-CG 4.43Å; F252-K265 HydrophobicContact CD1-CG 4.22Å; F252-K265 HydrophobicContact CD2-CB 4.35Å; F252-K265 HydrophobicContact CD2-CD 4.35Å; F252-K265 HydrophobicContact CD2-CG 4.28Å; F252-K265 HydrophobicContact CE1-CB 4.37Å; F252-K265 HydrophobicContact CE1-CG 4.19Å; F252-K265 HydrophobicContact CE2-CB 3.92Å; F252-K265 HydrophobicContact CE2-CG 4.27Å; F252-K265 HydrophobicContact CG-CD 4.35Å; F252-K265 HydrophobicContact CG-CG 4.25Å; F252-K265 HydrophobicContact CZ-CB 3.91Å; F252-K265 HydrophobicContact CZ-CG 4.21Å; F252-I268 HydrophobicContact CE1-CB 4.28Å; F252-I268 HydrophobicContact CE1-CD1 4.01Å; F252-I268 HydrophobicContact CE1-CG2 3.94Å; F252-I268 HydrophobicContact CZ-CB 4.08Å; F252-I268 HydrophobicContact CZ-CG2 3.85Å | ||
| 253 | S | 86.8 | Confident | 91.4 | Very high | 44 Ų | 44 | 66.4 Ų | 66.4 | 31% | 0.308 | 34% | 0.343 | S | S | . | . | trans | -70.9 | 143 | -173.8 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | Q251 E256 W257 | Q251-S253 VanDerWaalsContact C-N 3.29Å; Q251-S253 PolarHBondContact O-N 3.17Å; Q251-S253 VanDerWaalsContact O-N 3.17Å; S253-E256 PolarHBondContact O-N 3.44Å; S253-W257 PolarHBondContact O-N 3.16Å | ||
| 254 | S | 74.7 | Confident | 91.5 | Very high | 83 Ų | 83 | 59.3 Ų | 59.3 | 58% | 0.58 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 147.9 | 165.2 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | D258 | S254-D258 VanDerWaalsContact CB-OD1 3.23Å; S254-D258 WeakPolarHBondContact CB-OD1 3.47Å; S254-D258 PolarHBondContact OG-OD1 3.47Å |
| 255 | P | 83 | Confident | 91.6 | Very high | 45 Ų | 45 | 58.7 Ų | 58.7 | 29% | 0.292 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -92 | -0.8 | 3.2 | 35.8 | -37.8 | 0 | 0 | 0 | 115.2 | W257 | P255-W257 VanDerWaalsContact C-N 3.32Å; P255-W257 PolarHBondContact O-N 3.03Å |
| 256 | E | 83.4 | Confident | 91.6 | Very high | 35 Ų | 35 | 61.8 Ų | 61.8 | 16% | 0.164 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -32.9 | -169.7 | -68.3 | 67.5 | -144.1 | 0 | 0 | 112.8 | S253 R344 R347 | S253-E256 PolarHBondContact O-N 3.44Å; E256-R344 PolarHBondContact O-NH2 2.96Å; E256-R347 IonicContact OE1-CZ 2.79Å; E256-R347 IonicContact OE1-NH1 3.88Å; E256-R347 PolarHBondContact OE1-NH1 3.37Å |
| 257 | W | 88.9 | Confident | 91.8 | Very high | 4 Ų | 4 | 59.3 Ų | 59.3 | 2% | 0.015 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -100.7 | -3.5 | -172.9 | -70 | 97.1 | 0 | 0 | 0 | 115.3 | F224 L227 A228 F252 S253 P255 D259 R260 K265 I268 | F224-W257 AromaticContact CD1-CZ2 3.99Å; F224-W257 HydrophobicContact CD1-CZ2 3.99Å; F224-W257 AromaticContact CD2-CH2 3.98Å; F224-W257 HydrophobicContact CD2-CH2 3.98Å; F224-W257 AromaticContact CD2-CZ2 3.44Å; F224-W257 HydrophobicContact CD2-CZ2 3.44Å; F224-W257 VanDerWaalsContact CD2-CZ2 3.44Å; F224-W257 AromaticContact CE1-CZ2 3.96Å; F224-W257 HydrophobicContact CE1-CZ2 3.96Å; F224-W257 AromaticContact CE2-CE2 3.78Å; F224-W257 HydrophobicContact CE2-CH2 4.3Å; F224-W257 AromaticContact CE2-CZ2 3.42Å; F224-W257 HydrophobicContact CE2-CZ2 3.42Å; F224-W257 VanDerWaalsContact CE2-CZ2 3.42Å; F224-W257 AromaticContact CE2-NE1 3.87Å; F224-W257 HydrophobicContact CG-CH2 4.29Å; F224-W257 AromaticContact CG-CZ2 3.73Å; F224-W257 HydrophobicContact CG-CZ2 3.73Å; F224-W257 AromaticContact CZ-CE2 3.85Å; F224-W257 AromaticContact CZ-CZ2 3.69Å; F224-W257 HydrophobicContact CZ-CZ2 3.69Å; F224-W257 AromaticContact CZ-NE1 3.53Å; L227-W257 HydrophobicContact CB-CH2 3.89Å; L227-W257 HydrophobicContact CB-CZ2 4.48Å; L227-W257 HydrophobicContact CB-CZ3 4.32Å; L227-W257 HydrophobicContact CD1-CH2 4.05Å; L227-W257 HydrophobicContact CD1-CZ3 4.11Å; A228-W257 HydrophobicContact CB-CZ2 3.85Å; F252-W257 HydrophobicContact CB-CB 3.89Å; F252-W257 HydrophobicContact CB-CD2 4.12Å; F252-W257 HydrophobicContact CB-CG 3.79Å; F252-W257 AromaticContact CD1-CD2 3.5Å; F252-W257 HydrophobicContact CD1-CD2 3.5Å; F252-W257 AromaticContact CD1-CE2 3.68Å; F252-W257 AromaticContact CD1-CE3 3.55Å; F252-W257 HydrophobicContact CD1-CE3 3.55Å; F252-W257 HydrophobicContact CD1-CG 4.09Å; F252-W257 HydrophobicContact CD1-CH2 4.05Å; F252-W257 AromaticContact CD1-CZ2 3.96Å; F252-W257 HydrophobicContact CD1-CZ2 3.96Å; F252-W257 AromaticContact CD1-CZ3 3.83Å; F252-W257 HydrophobicContact CD1-CZ3 3.83Å; F252-W257 HydrophobicContact CE1-CD2 4.38Å; F252-W257 HydrophobicContact CE1-CE3 4.1Å; F252-W257 AromaticContact CE1-CH2 3.98Å; F252-W257 HydrophobicContact CE1-CH2 3.98Å; F252-W257 HydrophobicContact CE1-CZ2 4.21Å; F252-W257 AromaticContact CE1-CZ3 3.9Å; F252-W257 HydrophobicContact CE1-CZ3 3.9Å; F252-W257 HydrophobicContact CG-CD2 4.25Å; F252-W257 HydrophobicContact CG-CE3 4.36Å; F252-W257 HydrophobicContact CG-CG 4.43Å; S253-W257 PolarHBondContact O-N 3.16Å; P255-W257 VanDerWaalsContact C-N 3.32Å; P255-W257 PolarHBondContact O-N 3.03Å; W257-D259 VanDerWaalsContact C-N 3.33Å; W257-D259 PolarHBondContact O-N 3.22Å; W257-R260 HydrophobicContact CD2-CG 4.49Å; W257-R260 HydrophobicContact CE3-CB 3.84Å; W257-R260 HydrophobicContact CE3-CG 3.85Å; W257-R260 HydrophobicContact CZ3-CB 4.3Å; W257-R260 HydrophobicContact CZ3-CG 4.3Å; W257-R260 PolarHBondContact O-N 3.42Å; W257-K265 HydrophobicContact CE3-CG 4.08Å; W257-K265 HydrophobicContact CZ3-CG 4.28Å; W257-K265 VanDerWaalsContact O-CE 3.31Å; W257-K265 WeakPolarHBondContact O-CE 2.99Å; W257-K265 PolarHBondContact O-NZ 3.02Å; W257-K265 VanDerWaalsContact O-NZ 3.08Å; W257-I268 HydrophobicContact CH2-CD1 3.3Å; W257-I268 HydrophobicContact CZ2-CD1 4.37Å; W257-I268 HydrophobicContact CZ3-CD1 3.67Å |
| 258 | D | 83.9 | Confident | 91.9 | Very high | 93 Ų | 93 | 55.5 Ų | 55.5 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -40.7 | -177.2 | -66 | -10.9 | 0 | 0 | 0 | 112 | S254 | S254-D258 VanDerWaalsContact CB-OD1 3.23Å; S254-D258 WeakPolarHBondContact CB-OD1 3.47Å; S254-D258 PolarHBondContact OG-OD1 3.47Å |
| 259 | D | 84.6 | Confident | 92 | Very high | 127 Ų | 127 | 56.6 Ų | 56.6 | 68% | 0.679 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | 7.5 | -177.2 | -55.8 | -49.8 | 0 | 0 | 0 | 113.4 | W257 R344 | W257-D259 VanDerWaalsContact C-N 3.33Å; W257-D259 PolarHBondContact O-N 3.22Å; D259-R344 IonicContact OD2-NH1 2.87Å; D259-R344 PolarHBondContact OD2-NH1 3.39Å |
| 260 | R | 90.4 | Very high | 92.2 | Very high | 26 Ų | 26 | 55.2 Ų | 55.2 | 10% | 0.098 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -94.8 | 136.2 | -178.7 | -58.2 | -58.7 | -173.8 | 173.3 | 3.9 | 110.4 | L125 E127 L227 W257 V264 K265 | L125-R260 PolarHBondContact O-NH1 2.99Å; L125-R260 PolarHBondContact O-NH2 3.42Å; E127-R260 WeakPolarHBondContact OE1-CA 3.47Å; L227-R260 PolarHBondContact O-NH2 2.85Å; W257-R260 HydrophobicContact CD2-CG 4.49Å; W257-R260 HydrophobicContact CE3-CB 3.84Å; W257-R260 HydrophobicContact CE3-CG 3.85Å; W257-R260 HydrophobicContact CZ3-CB 4.3Å; W257-R260 HydrophobicContact CZ3-CG 4.3Å; W257-R260 PolarHBondContact O-N 3.42Å; R260-V264 HydrophobicContact CB-CG1 4.3Å; R260-K265 VanDerWaalsContact O-CE 3.31Å; R260-K265 WeakPolarHBondContact O-CE 3.47Å; R260-K265 PolarHBondContact O-NZ 2.73Å |
| 261 | S | 92.9 | Very high | 92.3 | Very high | 37 Ų | 37 | 52.6 Ų | 52.6 | 26% | 0.259 | 29% | 0.286 | S | S | . | . | trans | -61.7 | 146.4 | -177.1 | 66.6 | 0 | 0 | 0 | 0 | 112.3 | E127 T263 V264 K265 | E127-S261 PolarHBondContact OE1-N 3.5Å; E127-S261 PolarHBondContact OE1-OG 2.95Å; E127-S261 PolarHBondContact OE2-OG 2.86Å; S261-T263 PolarHBondContact O-N 3.16Å; S261-V264 VanDerWaalsContact O-CG1 3.29Å; S261-V264 WeakPolarHBondContact O-CG1 3.36Å; S261-V264 PolarHBondContact O-N 3.37Å; S261-V264 PolarHBondContact OG-N 3.07Å; S261-K265 PolarHBondContact O-N 3.47Å | ||
| 262 | D | 94.4 | Very high | 92.4 | Very high | 124 Ų | 124 | 46.2 Ų | 46.2 | 66% | 0.663 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65.2 | -26.1 | 174.2 | -61.6 | -33.3 | 0 | 0 | 0 | 111.3 | V264 K265 D266 | D262-V264 VanDerWaalsContact C-N 3.34Å; D262-V264 PolarHBondContact O-N 2.85Å; D262-K265 PolarHBondContact O-N 2.94Å; D262-K265 IonicContact OD1-NZ 2.67Å; D262-D266 WeakPolarHBondContact O-CB 3.35Å; D262-D266 PolarHBondContact O-N 2.75Å |
| 263 | T | 96.6 | Very high | 92.6 | Very high | 62 Ų | 62 | 46.8 Ų | 46.8 | 38% | 0.38 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 174.3 | -47.3 | 0 | 0 | 0 | 0 | 112.7 | S261 L267 H288 P289 F290 | S261-T263 PolarHBondContact O-N 3.16Å; T263-L267 PolarHBondContact O-N 3.47Å; T263-H288 PolarHBondContact O-CE1 2.93Å; T263-P289 HydrophobicContact CG2-CB 4.14Å; T263-F290 HydrophobicContact CG2-CB 4.14Å |
| 264 | V | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -79.5 | -32 | 178.5 | 73.7 | 0 | 0 | 0 | 0 | 112.2 | E127 L223 L227 R260 S261 D262 D266 L267 I268 F290 | E127-V264 HydrophobicContact CG-CG1 4.38Å; L223-V264 HydrophobicContact CD1-CG2 3.86Å; L223-V264 HydrophobicContact CD2-CG2 4.38Å; L223-V264 HydrophobicContact CG-CG2 4.45Å; L227-V264 HydrophobicContact CD1-CB 4.36Å; L227-V264 HydrophobicContact CD1-CG1 3.96Å; L227-V264 HydrophobicContact CD1-CG2 3.45Å; L227-V264 VanDerWaalsContact CD1-CG2 3.45Å; R260-V264 HydrophobicContact CB-CG1 4.3Å; S261-V264 VanDerWaalsContact O-CG1 3.29Å; S261-V264 WeakPolarHBondContact O-CG1 3.36Å; S261-V264 PolarHBondContact O-N 3.37Å; S261-V264 PolarHBondContact OG-N 3.07Å; D262-V264 VanDerWaalsContact C-N 3.34Å; D262-V264 PolarHBondContact O-N 2.85Å; V264-D266 VanDerWaalsContact C-N 3.33Å; V264-L267 PolarHBondContact O-N 2.84Å; V264-I268 WeakPolarHBondContact O-CG1 3.29Å; V264-I268 PolarHBondContact O-N 3.38Å; V264-F290 HydrophobicContact CB-CD2 3.74Å; V264-F290 HydrophobicContact CB-CE2 3.64Å; V264-F290 HydrophobicContact CB-CZ 4.45Å; V264-F290 HydrophobicContact CG2-CD2 3.81Å; V264-F290 HydrophobicContact CG2-CE1 4.39Å; V264-F290 HydrophobicContact CG2-CE2 3.44Å; V264-F290 VanDerWaalsContact CG2-CE2 3.44Å; V264-F290 HydrophobicContact CG2-CG 4.44Å; V264-F290 HydrophobicContact CG2-CZ 3.76Å |
| 265 | K | 98.3 | Very high | 94.3 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 17% | 0.17 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.3 | -42.2 | 171.8 | -65.2 | 172.6 | -171 | 162.9 | 0 | 110.8 | F252 W257 R260 S261 D262 I268 S269 | F252-K265 HydrophobicContact CD1-CG 4.22Å; F252-K265 HydrophobicContact CD2-CB 4.35Å; F252-K265 HydrophobicContact CD2-CD 4.35Å; F252-K265 HydrophobicContact CD2-CG 4.28Å; F252-K265 HydrophobicContact CE1-CB 4.37Å; F252-K265 HydrophobicContact CE1-CG 4.19Å; F252-K265 HydrophobicContact CE2-CB 3.92Å; F252-K265 HydrophobicContact CE2-CG 4.27Å; F252-K265 HydrophobicContact CG-CD 4.35Å; F252-K265 HydrophobicContact CG-CG 4.25Å; F252-K265 HydrophobicContact CZ-CB 3.91Å; F252-K265 HydrophobicContact CZ-CG 4.21Å; W257-K265 HydrophobicContact CE3-CG 4.08Å; W257-K265 HydrophobicContact CZ3-CG 4.28Å; W257-K265 VanDerWaalsContact O-CE 3.31Å; W257-K265 WeakPolarHBondContact O-CE 2.99Å; W257-K265 PolarHBondContact O-NZ 3.02Å; W257-K265 VanDerWaalsContact O-NZ 3.08Å; R260-K265 VanDerWaalsContact O-CE 3.31Å; R260-K265 WeakPolarHBondContact O-CE 3.47Å; R260-K265 PolarHBondContact O-NZ 2.73Å; S261-K265 PolarHBondContact O-N 3.47Å; D262-K265 PolarHBondContact O-N 2.94Å; D262-K265 IonicContact OD1-NZ 2.67Å; K265-I268 PolarHBondContact O-N 2.91Å; K265-S269 PolarHBondContact O-N 3.27Å; K265-S269 PolarHBondContact O-OG 3.42Å; K265-S269 VanDerWaalsContact O-OG 3.07Å |
| 266 | D | 98.6 | Very high | 95 | Very high | 65 Ų | 65 | 45.3 Ų | 45.3 | 35% | 0.348 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.6 | -45.1 | 175.1 | -177.5 | 57.1 | 0 | 0 | 0 | 112.3 | D262 V264 I268 S269 K270 H288 | D262-D266 WeakPolarHBondContact O-CB 3.35Å; D262-D266 PolarHBondContact O-N 2.75Å; V264-D266 VanDerWaalsContact C-N 3.33Å; D266-I268 PolarHBondContact O-N 3.2Å; D266-S269 PolarHBondContact O-N 3.42Å; D266-K270 WeakPolarHBondContact O-CG 3.33Å; D266-K270 PolarHBondContact O-N 2.86Å; D266-K270 VanDerWaalsContact O-N 3.07Å; D266-K270 VanDerWaalsContact OD1-CE 3.29Å; D266-K270 WeakPolarHBondContact OD1-CE 3.43Å; D266-K270 IonicContact OD1-NZ 3.55Å; D266-K270 PolarHBondContact OD1-NZ 3.07Å; D266-K270 WeakPolarHBondContact OD2-CE 3.37Å; D266-K270 IonicContact OD2-NZ 3.41Å; D266-K270 PolarHBondContact OD2-NZ 3.37Å; D266-H288 IonicContact OD2-CE1 3.52Å; D266-H288 IonicContact OD2-NE2 3.87Å; D266-H288 PolarHBondContact OD2-NE2 3.3Å |
| 267 | L | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 175.2 | 179.8 | 57.8 | 0 | 0 | 0 | 112 | L223 T263 V264 S269 K270 L271 L280 A285 H288 F290 F291 | L223-L267 HydrophobicContact CD2-CB 4.3Å; L223-L267 HydrophobicContact CD2-CD2 3.67Å; L223-L267 HydrophobicContact CD2-CG 3.75Å; T263-L267 PolarHBondContact O-N 3.47Å; V264-L267 PolarHBondContact O-N 2.84Å; L267-S269 VanDerWaalsContact C-N 3.33Å; L267-S269 PolarHBondContact O-N 3.44Å; L267-K270 PolarHBondContact O-N 3.27Å; L267-L271 HydrophobicContact CD1-CD1 4.07Å; L267-L271 HydrophobicContact CD1-CG 4.24Å; L267-L271 HydrophobicContact CG-CD1 4.07Å; L267-L271 WeakPolarHBondContact O-CG 3.39Å; L267-L271 PolarHBondContact O-N 3.07Å; L267-L271 VanDerWaalsContact O-N 3.09Å; L267-L280 HydrophobicContact CD1-CD1 4.11Å; L267-A285 HydrophobicContact CD1-CB 4.39Å; L267-H288 HydrophobicContact CD1-CB 3.98Å; L267-F290 HydrophobicContact CD2-CB 3.88Å; L267-F290 HydrophobicContact CD2-CD1 3.49Å; L267-F290 VanDerWaalsContact CD2-CD1 3.49Å; L267-F290 HydrophobicContact CD2-CE1 4.29Å; L267-F290 HydrophobicContact CD2-CG 3.9Å; L267-F291 HydrophobicContact CD2-CD2 4.47Å; L267-F291 HydrophobicContact CD2-CE2 3.6Å; L267-F291 HydrophobicContact CD2-CZ 3.93Å |
| 268 | I | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 176.6 | -70.9 | 166.7 | 0 | 0 | 0 | 110.3 | L223 F224 L227 Y250 F252 W257 V264 K265 D266 K270 L271 L272 | L223-I268 HydrophobicContact CB-CG1 4.35Å; L223-I268 HydrophobicContact CD2-CD1 4.45Å; L223-I268 HydrophobicContact CD2-CG1 3.55Å; L223-I268 HydrophobicContact CG-CD1 4.03Å; L223-I268 HydrophobicContact CG-CG1 3.55Å; F224-I268 HydrophobicContact CB-CD1 4.37Å; F224-I268 HydrophobicContact CB-CG2 4.47Å; F224-I268 HydrophobicContact CD2-CD1 4.46Å; F224-I268 HydrophobicContact CD2-CG2 4.14Å; L227-I268 HydrophobicContact CD1-CD1 4.22Å; Y250-I268 HydrophobicContact CE2-CG2 4.2Å; F252-I268 HydrophobicContact CE1-CB 4.28Å; F252-I268 HydrophobicContact CE1-CD1 4.01Å; F252-I268 HydrophobicContact CE1-CG2 3.94Å; F252-I268 HydrophobicContact CZ-CB 4.08Å; F252-I268 HydrophobicContact CZ-CG2 3.85Å; W257-I268 HydrophobicContact CH2-CD1 3.3Å; W257-I268 HydrophobicContact CZ2-CD1 4.37Å; W257-I268 HydrophobicContact CZ3-CD1 3.67Å; V264-I268 WeakPolarHBondContact O-CG1 3.29Å; V264-I268 PolarHBondContact O-N 3.38Å; K265-I268 PolarHBondContact O-N 2.91Å; D266-I268 PolarHBondContact O-N 3.2Å; I268-K270 VanDerWaalsContact C-N 3.26Å; I268-K270 PolarHBondContact O-N 3.31Å; I268-L271 PolarHBondContact O-N 2.73Å; I268-L271 VanDerWaalsContact O-N 3.14Å; I268-L272 HydrophobicContact CG2-CD1 3.68Å; I268-L272 HydrophobicContact CG2-CG 4.17Å; I268-L272 WeakPolarHBondContact O-CB 3.41Å; I268-L272 PolarHBondContact O-N 3.44Å |
| 269 | S | 98.6 | Very high | 96.8 | Very high | 39 Ų | 39 | 54.4 Ų | 54.4 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.8 | -36.3 | -178.9 | -60.9 | 0 | 0 | 0 | 0 | 113 | Y250 K265 D266 L267 | Y250-S269 VanDerWaalsContact OH-CA 3.28Å; Y250-S269 WeakPolarHBondContact OH-CA 3.43Å; Y250-S269 PolarHBondContact OH-OG 3.39Å; K265-S269 PolarHBondContact O-N 3.27Å; K265-S269 PolarHBondContact O-OG 3.42Å; K265-S269 VanDerWaalsContact O-OG 3.07Å; D266-S269 PolarHBondContact O-N 3.42Å; L267-S269 VanDerWaalsContact C-N 3.33Å; L267-S269 PolarHBondContact O-N 3.44Å |
| 270 | K | 98.7 | Very high | 97.4 | Very high | 80 Ų | 80 | 49.8 Ų | 49.8 | 35% | 0.348 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -78.3 | -20.5 | 178.1 | -68 | 174.5 | 178.1 | 159.7 | 0 | 114.2 | D266 L267 I268 L280 | D266-K270 WeakPolarHBondContact O-CG 3.33Å; D266-K270 PolarHBondContact O-N 2.86Å; D266-K270 VanDerWaalsContact O-N 3.07Å; D266-K270 VanDerWaalsContact OD1-CE 3.29Å; D266-K270 WeakPolarHBondContact OD1-CE 3.43Å; D266-K270 IonicContact OD1-NZ 3.55Å; D266-K270 PolarHBondContact OD1-NZ 3.07Å; D266-K270 WeakPolarHBondContact OD2-CE 3.37Å; D266-K270 IonicContact OD2-NZ 3.41Å; D266-K270 PolarHBondContact OD2-NZ 3.37Å; L267-K270 PolarHBondContact O-N 3.27Å; I268-K270 VanDerWaalsContact C-N 3.26Å; I268-K270 PolarHBondContact O-N 3.31Å; K270-L280 HydrophobicContact CB-CD1 3.47Å; K270-L280 VanDerWaalsContact CB-CD1 3.47Å; K270-L280 HydrophobicContact CB-CG 3.75Å; K270-L280 HydrophobicContact CD-CD1 4Å; K270-L280 HydrophobicContact CG-CD1 4.38Å; K270-L280 PolarHBondContact O-N 3.08Å |
| 271 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -87.4 | -37.1 | 172.1 | -70.9 | 172.1 | 0 | 0 | 0 | 112.1 | L216 L223 L267 I268 Q273 R279 L280 A285 | L216-L271 HydrophobicContact CB-CD2 4.22Å; L216-L271 HydrophobicContact CD1-CD2 4Å; L223-L271 HydrophobicContact CD2-CD1 4.18Å; L267-L271 HydrophobicContact CD1-CD1 4.07Å; L267-L271 HydrophobicContact CD1-CG 4.24Å; L267-L271 HydrophobicContact CG-CD1 4.07Å; L267-L271 WeakPolarHBondContact O-CG 3.39Å; L267-L271 PolarHBondContact O-N 3.07Å; L267-L271 VanDerWaalsContact O-N 3.09Å; I268-L271 PolarHBondContact O-N 2.73Å; I268-L271 VanDerWaalsContact O-N 3.14Å; L271-Q273 PolarHBondContact O-N 2.94Å; L271-R279 VanDerWaalsContact O-CD 3.23Å; L271-R279 WeakPolarHBondContact O-CD 3.39Å; L271-R279 VanDerWaalsContact O-CG 3.31Å; L271-R279 WeakPolarHBondContact O-CG 3.45Å; L271-R279 PolarHBondContact O-NE 2.9Å; L271-L280 HydrophobicContact CD2-CB 4.35Å; L271-A285 HydrophobicContact CD2-CB 4.22Å |
| 272 | L | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -89 | 39.6 | 176.6 | -62.8 | -175.8 | 0 | 0 | 0 | 112 | W217 V221 P232 F233 Y250 I268 | W217-L272 HydrophobicContact CD2-CD2 3.95Å; W217-L272 HydrophobicContact CE3-CD2 4.13Å; W217-L272 HydrophobicContact CG-CD2 4.41Å; W217-L272 HydrophobicContact CZ2-CD2 4.41Å; W217-L272 HydrophobicContact CZ3-CB 4.29Å; W217-L272 HydrophobicContact CZ3-CD2 4.44Å; V221-L272 HydrophobicContact CG2-CD2 3.78Å; P232-L272 HydrophobicContact CB-CD1 4.36Å; P232-L272 HydrophobicContact CG-CD1 4.28Å; F233-L272 HydrophobicContact CE2-CD2 4.38Å; F233-L272 HydrophobicContact CZ-CD1 4.46Å; Y250-L272 HydrophobicContact CD1-CB 4.44Å; Y250-L272 HydrophobicContact CD1-CD1 4.1Å; Y250-L272 HydrophobicContact CD2-CD1 4.39Å; Y250-L272 HydrophobicContact CE1-CB 3.76Å; Y250-L272 HydrophobicContact CE1-CD1 4.03Å; Y250-L272 HydrophobicContact CE2-CD1 4.32Å; Y250-L272 HydrophobicContact CG-CD1 4.3Å; I268-L272 HydrophobicContact CG2-CD1 3.68Å; I268-L272 HydrophobicContact CG2-CG 4.17Å; I268-L272 WeakPolarHBondContact O-CB 3.41Å; I268-L272 PolarHBondContact O-N 3.44Å |
| 273 | Q | 98.6 | Very high | 98.3 | Very high | 75 Ų | 75 | 47.2 Ų | 47.2 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | trans | -84 | 127.3 | 174.1 | -174.7 | 60.3 | 18.9 | 0 | 0 | 109.4 | L271 D275 E278 R279 | L271-Q273 PolarHBondContact O-N 2.94Å; Q273-D275 WeakPolarHBondContact CG-O 3.29Å; Q273-E278 HydrophobicContact CG-CB 3.62Å; Q273-R279 HydrophobicContact CB-CB 4.14Å; Q273-R279 HydrophobicContact CB-CG 4.36Å; Q273-R279 PolarHBondContact O-NE 3.34Å; Q273-R279 PolarHBondContact O-NH2 2.83Å | ||
| 274 | V | 98.3 | Very high | 98.3 | Very high | 36 Ų | 36 | 48.9 Ų | 48.9 | 22% | 0.218 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -67.9 | -38.4 | -175.5 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | P196 W217 P276 | P196-V274 HydrophobicContact CB-CG1 4Å; P196-V274 HydrophobicContact CG-CB 4.49Å; P196-V274 HydrophobicContact CG-CG1 4.16Å; P196-V274 HydrophobicContact CG-CG2 4.41Å; W217-V274 HydrophobicContact CZ3-CG2 4.48Å; V274-P276 WeakPolarHBondContact O-CD 3.46Å |
| 275 | D | 97.9 | Very high | 98.4 | Very high | 72 Ų | 72 | 48.9 Ų | 48.9 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -75.4 | 118.2 | 172.1 | -169.7 | -17.8 | 0 | 0 | 0 | 109.6 | Q273 E277 E278 R279 | Q273-D275 WeakPolarHBondContact CG-O 3.29Å; D275-E277 PolarHBondContact O-N 2.83Å; D275-E277 PolarHBondContact OD1-N 2.84Å; D275-E278 HydrophobicContact CB-CB 4.21Å; D275-E278 HydrophobicContact CB-CG 4.2Å; D275-E278 PolarHBondContact O-N 3.18Å; D275-R279 PolarHBondContact O-N 3.39Å |
| 276 | P | 97.8 | Very high | 98.4 | Very high | 33 Ų | 33 | 49 Ų | 49 | 21% | 0.214 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -27.8 | 179.1 | -21 | 34.2 | 0 | 0 | 0 | 113.5 | E197 E213 V274 R279 | E197-P276 HydrophobicContact CB-CG 4.05Å; E197-P276 HydrophobicContact CG-CG 3.92Å; E213-P276 HydrophobicContact CB-CB 3.92Å; E213-P276 HydrophobicContact CG-CB 4.06Å; V274-P276 WeakPolarHBondContact O-CD 3.46Å; P276-R279 WeakPolarHBondContact O-CB 3.34Å; P276-R279 PolarHBondContact O-N 3.44Å |
| 277 | E | 96.9 | Very high | 98.3 | Very high | 178 Ų | 178 | 53 Ų | 53 | 83% | 0.832 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -30.4 | -178.3 | -63.4 | -170 | 176.5 | 0 | 0 | 112.4 | D275 R279 | D275-E277 PolarHBondContact O-N 2.83Å; D275-E277 PolarHBondContact OD1-N 2.84Å; E277-R279 VanDerWaalsContact C-N 3.34Å |
| 278 | E | 98 | Very high | 98.3 | Very high | 135 Ų | 135 | 53.5 Ų | 53.5 | 63% | 0.631 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -8 | 175.8 | -64.4 | -65.7 | 140 | 0 | 0 | 112.4 | Q273 D275 | Q273-E278 HydrophobicContact CG-CB 3.62Å; D275-E278 HydrophobicContact CB-CB 4.21Å; D275-E278 HydrophobicContact CB-CG 4.2Å; D275-E278 PolarHBondContact O-N 3.18Å |
| 279 | R | 98.6 | Very high | 98.2 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 3% | 0.034 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -77.6 | 137.6 | 179.5 | -165.2 | -178.7 | -60.7 | 149.6 | 6.5 | 110.1 | E197 E213 L216 L271 Q273 D275 P276 E277 T281 | E197-R279 IonicContact OE1-CZ 2.7Å; E197-R279 IonicContact OE1-NH1 2.73Å; E197-R279 PolarHBondContact OE1-NH1 2.92Å; E197-R279 IonicContact OE1-NH2 3.93Å; E197-R279 PolarHBondContact OE1-NH2 2.87Å; E197-R279 IonicContact OE2-CZ 2.95Å; E197-R279 IonicContact OE2-NH1 3.88Å; E197-R279 IonicContact OE2-NH2 3.37Å; E197-R279 PolarHBondContact OE2-NH2 3.5Å; E213-R279 VanDerWaalsContact C-NH1 3.35Å; E213-R279 PolarHBondContact O-NH1 2.83Å; L216-R279 HydrophobicContact CB-CG 4.43Å; L271-R279 VanDerWaalsContact O-CD 3.23Å; L271-R279 WeakPolarHBondContact O-CD 3.39Å; L271-R279 VanDerWaalsContact O-CG 3.31Å; L271-R279 WeakPolarHBondContact O-CG 3.45Å; L271-R279 PolarHBondContact O-NE 2.9Å; Q273-R279 HydrophobicContact CB-CB 4.14Å; Q273-R279 HydrophobicContact CB-CG 4.36Å; Q273-R279 PolarHBondContact O-NE 3.34Å; Q273-R279 PolarHBondContact O-NH2 2.83Å; D275-R279 PolarHBondContact O-N 3.39Å; P276-R279 WeakPolarHBondContact O-CB 3.34Å; P276-R279 PolarHBondContact O-N 3.44Å; E277-R279 VanDerWaalsContact C-N 3.34Å; R279-T281 PolarHBondContact O-N 3.23Å |
| 280 | L | 98.7 | Very high | 98.1 | Very high | 30 Ų | 30 | 55.1 Ų | 55.1 | 16% | 0.157 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 140.8 | 178.3 | -65.7 | 174.8 | 0 | 0 | 0 | 111.9 | L216 L267 K270 L271 Q284 A285 | L216-L280 VanDerWaalsContact CG-O 3.27Å; L216-L280 WeakPolarHBondContact CG-O 3.25Å; L267-L280 HydrophobicContact CD1-CD1 4.11Å; K270-L280 HydrophobicContact CB-CD1 3.47Å; K270-L280 VanDerWaalsContact CB-CD1 3.47Å; K270-L280 HydrophobicContact CB-CG 3.75Å; K270-L280 HydrophobicContact CD-CD1 4Å; K270-L280 HydrophobicContact CG-CD1 4.38Å; K270-L280 PolarHBondContact O-N 3.08Å; L271-L280 HydrophobicContact CD2-CB 4.35Å; L280-Q284 HydrophobicContact CB-CB 4.32Å; L280-Q284 HydrophobicContact CD2-CB 3.92Å; L280-A285 HydrophobicContact CB-CB 4.34Å; L280-A285 HydrophobicContact CD1-CB 4.4Å |
| 281 | T | 98.8 | Very high | 98 | Very high | 55 Ų | 55 | 51.9 Ų | 51.9 | 34% | 0.337 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -73 | 167.3 | 162.9 | 82.1 | 0 | 0 | 0 | 0 | 111 | R279 E283 Q284 A285 | R279-T281 PolarHBondContact O-N 3.23Å; T281-E283 VanDerWaalsContact C-N 3.34Å; T281-E283 PolarHBondContact O-N 3.05Å; T281-E283 PolarHBondContact OG1-N 3.34Å; T281-E283 PolarHBondContact OG1-OE2 3.11Å; T281-Q284 PolarHBondContact O-N 2.9Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.44Å; T281-Q284 PolarHBondContact OG1-N 3.37Å; T281-A285 VanDerWaalsContact O-CB 3.31Å; T281-A285 WeakPolarHBondContact O-CB 3.44Å; T281-A285 PolarHBondContact O-N 3.12Å |
| 282 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V141 L216 A285 L286 | V141-A282 HydrophobicContact CG1-CB 4.17Å; L216-A282 HydrophobicContact CD1-CB 4.1Å; A282-A285 PolarHBondContact O-N 3.48Å; A282-L286 WeakPolarHBondContact O-CB 3.49Å; A282-L286 WeakPolarHBondContact O-CG 3.27Å; A282-L286 PolarHBondContact O-N 3.21Å |
| 283 | E | 98.1 | Very high | 95.9 | Very high | 79 Ų | 79 | 68.2 Ų | 68.2 | 37% | 0.369 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 176.5 | -59 | 76.5 | -154.4 | 0 | 0 | 111.7 | S142 T281 L286 Q287 | S142-E283 PolarHBondContact OG-OE1 3.34Å; T281-E283 VanDerWaalsContact C-N 3.34Å; T281-E283 PolarHBondContact O-N 3.05Å; T281-E283 PolarHBondContact OG1-N 3.34Å; T281-E283 PolarHBondContact OG1-OE2 3.11Å; E283-L286 PolarHBondContact O-N 3.4Å; E283-Q287 WeakPolarHBondContact O-CG 3.36Å; E283-Q287 PolarHBondContact O-N 3.49Å |
| 284 | Q | 98.4 | Very high | 93.8 | Very high | 96 Ų | 96 | 70.9 Ų | 70.9 | 45% | 0.449 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 178.3 | -66.2 | 171.9 | -19.3 | 0 | 0 | 111.2 | L280 T281 L286 Q287 H288 | L280-Q284 HydrophobicContact CB-CB 4.32Å; L280-Q284 HydrophobicContact CD2-CB 3.92Å; T281-Q284 PolarHBondContact O-N 2.9Å; T281-Q284 WeakPolarHBondContact OG1-CG 3.44Å; T281-Q284 PolarHBondContact OG1-N 3.37Å; Q284-L286 VanDerWaalsContact C-N 3.35Å; Q284-L286 PolarHBondContact O-N 3.37Å; Q284-Q287 PolarHBondContact O-N 3.21Å; Q284-H288 PolarHBondContact O-N 2.8Å |
| 285 | A | 98.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.4 | -40.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | L138 L267 L271 L280 T281 A282 Q287 H288 F291 | L138-A285 HydrophobicContact CD1-CB 3.84Å; L138-A285 HydrophobicContact CD2-CB 4.12Å; L267-A285 HydrophobicContact CD1-CB 4.39Å; L271-A285 HydrophobicContact CD2-CB 4.22Å; L280-A285 HydrophobicContact CB-CB 4.34Å; L280-A285 HydrophobicContact CD1-CB 4.4Å; T281-A285 VanDerWaalsContact O-CB 3.31Å; T281-A285 WeakPolarHBondContact O-CB 3.44Å; T281-A285 PolarHBondContact O-N 3.12Å; A282-A285 PolarHBondContact O-N 3.48Å; A285-Q287 PolarHBondContact O-N 3.32Å; A285-H288 WeakPolarHBondContact O-CB 3.24Å; A285-H288 PolarHBondContact O-N 3.22Å; A285-F291 WeakPolarHBondContact O-CD2 3.47Å; A285-F291 WeakPolarHBondContact O-CE2 3.5Å |
| 286 | L | 98.1 | Very high | 88.7 | Confident | 43 Ų | 43 | 76.8 Ų | 76.8 | 23% | 0.225 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64 | -27.6 | 175.9 | -76.7 | 167.3 | 0 | 0 | 0 | 113.5 | R135 L138 E139 A282 E283 Q284 H288 | R135-L286 HydrophobicContact CG-CD2 3.99Å; L138-L286 HydrophobicContact CB-CD1 4.34Å; L138-L286 HydrophobicContact CB-CD2 3.74Å; L138-L286 HydrophobicContact CB-CG 3.81Å; L138-L286 HydrophobicContact CD1-CD2 4.49Å; E139-L286 HydrophobicContact CG-CD1 4.03Å; E139-L286 HydrophobicContact CG-CD2 3.96Å; A282-L286 WeakPolarHBondContact O-CB 3.49Å; A282-L286 WeakPolarHBondContact O-CG 3.27Å; A282-L286 PolarHBondContact O-N 3.21Å; E283-L286 PolarHBondContact O-N 3.4Å; Q284-L286 VanDerWaalsContact C-N 3.35Å; Q284-L286 PolarHBondContact O-N 3.37Å; L286-H288 VanDerWaalsContact C-N 3.28Å |
| 287 | Q | 97.6 | Very high | 86.2 | Confident | 148 Ų | 148 | 79.3 Ų | 79.3 | 69% | 0.692 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -5.1 | 174.9 | -66.6 | 171.7 | 12.7 | 0 | 0 | 113.2 | E283 Q284 A285 | E283-Q287 WeakPolarHBondContact O-CG 3.36Å; E283-Q287 PolarHBondContact O-N 3.49Å; Q284-Q287 PolarHBondContact O-N 3.21Å; A285-Q287 PolarHBondContact O-N 3.32Å |
| 288 | H | 98.2 | Very high | 83.9 | Confident | 10 Ų | 10 | 78.2 Ų | 78.2 | 5% | 0.046 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -62.6 | 144 | -179.1 | -166.3 | -94 | 0 | 0 | 0 | 111.8 | T263 D266 L267 Q284 A285 L286 F290 F291 | T263-H288 PolarHBondContact O-CE1 2.93Å; D266-H288 IonicContact OD2-CE1 3.52Å; D266-H288 IonicContact OD2-NE2 3.87Å; D266-H288 PolarHBondContact OD2-NE2 3.3Å; L267-H288 HydrophobicContact CD1-CB 3.98Å; Q284-H288 PolarHBondContact O-N 2.8Å; A285-H288 WeakPolarHBondContact O-CB 3.24Å; A285-H288 PolarHBondContact O-N 3.22Å; L286-H288 VanDerWaalsContact C-N 3.28Å; H288-F290 WeakPolarHBondContact ND1-CB 3.32Å; H288-F290 PolarHBondContact ND1-N 2.68Å; H288-F290 PolarHBondContact O-N 2.89Å; H288-F291 HydrophobicContact CB-CD2 4.31Å; H288-F291 PolarHBondContact O-N 2.93Å |
| 289 | P | 96.8 | Very high | 81.5 | Confident | 72 Ų | 72 | 76.6 Ų | 76.6 | 47% | 0.468 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -21.3 | 178.5 | -29 | 35.5 | 0 | 0 | 0 | 114.9 | T263 F291 E292 | T263-P289 HydrophobicContact CG2-CB 4.14Å; P289-F291 PolarHBondContact O-N 3.29Å; P289-E292 PolarHBondContact O-N 3.12Å |
| 290 | F | 96.8 | Very high | 79.6 | Confident | 2 Ų | 2 | 84.5 Ų | 84.5 | 1% | 0.009 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -33 | 172.5 | -178.9 | -109.3 | 0 | 0 | 0 | 112.6 | R131 T263 V264 L267 H288 | R131-F290 HydrophobicContact CB-CE1 3.77Å; R131-F290 HydrophobicContact CB-CE2 4.49Å; R131-F290 HydrophobicContact CB-CZ 3.7Å; R131-F290 VanDerWaalsContact CD-O 3.24Å; R131-F290 WeakPolarHBondContact CD-O 3.39Å; R131-F290 HydrophobicContact CG-CD1 4.36Å; R131-F290 HydrophobicContact CG-CE1 3.99Å; R131-F290 HydrophobicContact CG-CZ 4.26Å; R131-F290 PolarHBondContact NE-O 2.8Å; T263-F290 HydrophobicContact CG2-CB 4.14Å; V264-F290 HydrophobicContact CB-CD2 3.74Å; V264-F290 HydrophobicContact CB-CE2 3.64Å; V264-F290 HydrophobicContact CB-CZ 4.45Å; V264-F290 HydrophobicContact CG2-CD2 3.81Å; V264-F290 HydrophobicContact CG2-CE1 4.39Å; V264-F290 HydrophobicContact CG2-CE2 3.44Å; V264-F290 VanDerWaalsContact CG2-CE2 3.44Å; V264-F290 HydrophobicContact CG2-CG 4.44Å; V264-F290 HydrophobicContact CG2-CZ 3.76Å; L267-F290 HydrophobicContact CD2-CB 3.88Å; L267-F290 HydrophobicContact CD2-CD1 3.49Å; L267-F290 VanDerWaalsContact CD2-CD1 3.49Å; L267-F290 HydrophobicContact CD2-CE1 4.29Å; L267-F290 HydrophobicContact CD2-CG 3.9Å; H288-F290 WeakPolarHBondContact ND1-CB 3.32Å; H288-F290 PolarHBondContact ND1-N 2.68Å; H288-F290 PolarHBondContact O-N 2.89Å |
| 291 | F | 95.8 | Very high | 77.8 | Confident | 11 Ų | 11 | 90.5 Ų | 90.5 | 5% | 0.048 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -3.3 | 179.3 | -61.3 | -70 | 0 | 0 | 0 | 114 | R131 M134 R135 L138 L267 A285 H288 P289 R293 | R131-F291 HydrophobicContact CG-CD1 3.91Å; R131-F291 HydrophobicContact CG-CE1 4.34Å; M134-F291 HydrophobicContact CB-CE1 3.9Å; M134-F291 HydrophobicContact CB-CZ 3.87Å; R135-F291 HydrophobicContact CB-CD1 3.84Å; R135-F291 HydrophobicContact CB-CE1 3.92Å; R135-F291 HydrophobicContact CG-CD1 4.49Å; R135-F291 PolarHBondContact NH2-O 2.96Å; L138-F291 HydrophobicContact CD1-CE1 4.5Å; L138-F291 HydrophobicContact CD1-CE2 3.51Å; L138-F291 HydrophobicContact CD1-CZ 3.44Å; L138-F291 VanDerWaalsContact CD1-CZ 3.44Å; L267-F291 HydrophobicContact CD2-CD2 4.47Å; L267-F291 HydrophobicContact CD2-CE2 3.6Å; L267-F291 HydrophobicContact CD2-CZ 3.93Å; A285-F291 WeakPolarHBondContact O-CD2 3.47Å; A285-F291 WeakPolarHBondContact O-CE2 3.5Å; H288-F291 HydrophobicContact CB-CD2 4.31Å; H288-F291 PolarHBondContact O-N 2.93Å; P289-F291 PolarHBondContact O-N 3.29Å; F291-R293 PolarHBondContact O-N 3.22Å |
| 292 | E | 88.7 | Confident | 76.5 | Confident | 128 Ų | 128 | 89.6 Ų | 89.6 | 60% | 0.598 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -59.3 | 129.2 | 170.7 | -73.4 | 177.8 | -172.2 | 0 | 0 | 109 | P289 C294 | P289-E292 PolarHBondContact O-N 3.12Å; E292-C294 PolarHBondContact O-N 3.25Å |
| 293 | R | 65.8 | Low | 75.8 | Confident | 220 Ų | 220 | 93.1 Ų | 93.1 | 83% | 0.83 | 49% | 0.486 | S | S | * | . | trans | -59.7 | 128 | 165.9 | -77.3 | 179.7 | 175.2 | 172.3 | -0.4 | 105.4 | F291 Q295 | F291-R293 PolarHBondContact O-N 3.22Å; R293-Q295 PolarHBondContact O-N 2.96Å | ||
| 294 | C | 53.5 | Low | 75.1 | Confident | 132 Ų | 132 | 94.7 Ų | 94.7 | 89% | 0.892 | 50% | 0.503 | S | S | * | . | trans | -57.1 | 88.2 | 155.3 | -73.1 | 0 | 0 | 0 | 0 | 106.1 | E292 G296 | E292-C294 PolarHBondContact O-N 3.25Å; C294-G296 PolarHBondContact O-N 3.02Å | ||
| 295 | Q | 43 | Very low | 74.1 | Confident | 165 Ų | 165 | 100.4 Ų | 100.4 | 77% | 0.771 | 52% | 0.52 | S | S | * | . | trans | -52.5 | 117.9 | 159.8 | -67 | -173.4 | 28.1 | 0 | 0 | 103.3 | R293 S297 | R293-Q295 PolarHBondContact O-N 2.96Å; Q295-S297 PolarHBondContact O-N 3.38Å | ||
| 296 | G | 46.3 | Very low | 72.9 | Confident | 67 Ų | 67 | 104.7 Ų | 104.7 | 69% | 0.691 | 54% | 0.54 | S | S | * | . | trans | -40.8 | 124.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | C294 Q298 | C294-G296 PolarHBondContact O-N 3.02Å; G296-Q298 PolarHBondContact O-N 3.09Å | ||
| 297 | S | 46 | Very low | 72.1 | Confident | 85 Ų | 85 | 109.7 Ų | 109.7 | 59% | 0.594 | 56% | 0.556 | S | S | * | * | trans | -18 | 110.7 | 179 | 49.3 | 0 | 0 | 0 | 0 | 110.9 | Q295 P299 | Q295-S297 PolarHBondContact O-N 3.38Å; S297-P299 VanDerWaalsContact O-N 3.09Å | ||
| 298 | Q | 48 | Very low | 71.5 | Confident | 156 Ų | 156 | 109.8 Ų | 109.8 | 73% | 0.729 | 56% | 0.555 | S | S | * | * | trans | -37.4 | 125.2 | 166.9 | -76.6 | -72.4 | -16 | 0 | 0 | 106.9 | G296 W300 | G296-Q298 PolarHBondContact O-N 3.09Å; Q298-W300 PolarHBondContact O-N 2.94Å | ||
| 299 | P | 48.2 | Very low | 70.8 | Confident | 100 Ų | 100 | 116.9 Ų | 116.9 | 65% | 0.649 | 58% | 0.581 | S | S | * | * | trans | -51 | 116.5 | -176.6 | 18.3 | -30 | 0 | 0 | 0 | 106.7 | S297 N301 | S297-P299 VanDerWaalsContact O-N 3.09Å; P299-N301 PolarHBondContact O-N 3.25Å | ||
| 300 | W | 58.7 | Low | 70.2 | Confident | 175 Ų | 175 | 116.5 Ų | 116.5 | 66% | 0.663 | 58% | 0.577 | S | S | * | * | trans | -54.7 | 103.9 | -170.7 | -69.4 | 79.1 | 0 | 0 | 0 | 108.4 | Q298 L302 | Q298-W300 PolarHBondContact O-N 2.94Å; W300-L302 HydrophobicContact CB-CD1 3.56Å; W300-L302 HydrophobicContact CB-CG 3.77Å; W300-L302 HydrophobicContact CD2-CD1 4.22Å; W300-L302 HydrophobicContact CE3-CD1 3.95Å; W300-L302 HydrophobicContact CE3-CD2 4.1Å; W300-L302 HydrophobicContact CE3-CG 4.17Å; W300-L302 HydrophobicContact CG-CD1 4.13Å; W300-L302 PolarHBondContact O-N 2.99Å | ||
| 301 | N | 59.9 | Low | 69.7 | Low | 156 Ų | 156 | 118.8 Ų | 118.8 | 83% | 0.834 | 60% | 0.597 | S | S | * | * | trans | -75.9 | 59.7 | 173.5 | -87.9 | -18.3 | 0 | 0 | 0 | 108.8 | P299 | P299-N301 PolarHBondContact O-N 3.25Š| ||
| 302 | L | 71.9 | Confident | 69.5 | Low | 36 Ų | 36 | 121 Ų | 121 | 19% | 0.188 | 61% | 0.611 | C | S | . | * | trans | -82.2 | 128.8 | 177.7 | -67.7 | 162.1 | 0 | 0 | 0 | 108.1 | W300 Q306 R307 V310 | W300-L302 HydrophobicContact CB-CD1 3.56Å; W300-L302 HydrophobicContact CB-CG 3.77Å; W300-L302 HydrophobicContact CD2-CD1 4.22Å; W300-L302 HydrophobicContact CE3-CD1 3.95Å; W300-L302 HydrophobicContact CE3-CD2 4.1Å; W300-L302 HydrophobicContact CE3-CG 4.17Å; W300-L302 HydrophobicContact CG-CD1 4.13Å; W300-L302 PolarHBondContact O-N 2.99Å; L302-Q306 HydrophobicContact CB-CB 3.89Å; L302-Q306 HydrophobicContact CD2-CB 3.59Å; L302-Q306 HydrophobicContact CD2-CG 4.39Å; L302-Q306 HydrophobicContact CG-CB 4.29Å; L302-R307 HydrophobicContact CB-CG 3.48Å; L302-R307 VanDerWaalsContact CB-CG 3.48Å; L302-R307 HydrophobicContact CD1-CG 4.33Å; L302-R307 PolarHBondContact O-NE 3.43Å; L302-V310 HydrophobicContact CD1-CG2 3.98Å; L302-V310 HydrophobicContact CD2-CG2 4.48Å | ||
| 303 | T | 82.4 | Confident | 69.5 | Low | 74 Ų | 74 | 122.7 Ų | 122.7 | 45% | 0.454 | 61% | 0.612 | S | S | . | * | trans | -56.4 | 157.3 | 166 | 59.9 | 0 | 0 | 0 | 0 | 110.4 | R305 Q306 R307 | T303-R305 PolarHBondContact O-N 3.25Å; T303-R305 VanDerWaalsContact O-N 3.07Å; T303-Q306 PolarHBondContact O-N 2.77Å; T303-Q306 VanDerWaalsContact OG1-CD 3.26Å; T303-Q306 VanDerWaalsContact OG1-CG 3.3Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.42Å; T303-Q306 PolarHBondContact OG1-N 3.12Å; T303-Q306 PolarHBondContact OG1-OE1 3Å; T303-R307 PolarHBondContact O-N 2.8Å | ||
| 304 | P | 84.4 | Confident | 70.7 | Confident | 113 Ų | 113 | 116.2 Ų | 116.2 | 73% | 0.734 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -51.3 | -36.8 | 178.3 | -28.8 | 35.3 | 0 | 0 | 0 | 113.6 | F308 | P304-F308 WeakPolarHBondContact O-CB 3.1Å; P304-F308 PolarHBondContact O-N 3.29Å |
| 305 | R | 76.6 | Confident | 72.6 | Confident | 215 Ų | 215 | 115 Ų | 115 | 81% | 0.811 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.2 | -40.5 | 175.3 | -73.5 | -175.5 | 175.6 | 177.2 | -0.8 | 113 | T303 F308 R309 | T303-R305 PolarHBondContact O-N 3.25Å; T303-R305 VanDerWaalsContact O-N 3.07Å; R305-F308 PolarHBondContact O-N 3.01Å; R305-R309 WeakPolarHBondContact O-CG 3.23Å; R305-R309 PolarHBondContact O-N 3.02Å |
| 306 | Q | 74.1 | Confident | 74.8 | Confident | 90 Ų | 90 | 111.6 Ų | 111.6 | 42% | 0.421 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71.4 | -37.2 | 177.3 | -70.9 | 163.2 | -34.4 | 0 | 0 | 111.4 | L302 T303 R309 V310 | L302-Q306 HydrophobicContact CB-CB 3.89Å; L302-Q306 HydrophobicContact CD2-CB 3.59Å; L302-Q306 HydrophobicContact CD2-CG 4.39Å; L302-Q306 HydrophobicContact CG-CB 4.29Å; T303-Q306 PolarHBondContact O-N 2.77Å; T303-Q306 VanDerWaalsContact OG1-CD 3.26Å; T303-Q306 VanDerWaalsContact OG1-CG 3.3Å; T303-Q306 WeakPolarHBondContact OG1-CG 3.42Å; T303-Q306 PolarHBondContact OG1-N 3.12Å; T303-Q306 PolarHBondContact OG1-OE1 3Å; Q306-R309 PolarHBondContact O-N 3.25Å; Q306-V310 WeakPolarHBondContact O-CG2 3.31Å; Q306-V310 PolarHBondContact O-N 2.93Å |
| 307 | R | 80.4 | Confident | 76.7 | Confident | 149 Ų | 149 | 110.7 Ų | 110.7 | 56% | 0.562 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.4 | -45.1 | 171.9 | -71.2 | -175.2 | 169.5 | 166.8 | -1.2 | 111.6 | L302 T303 V310 A311 | L302-R307 HydrophobicContact CB-CG 3.48Å; L302-R307 VanDerWaalsContact CB-CG 3.48Å; L302-R307 HydrophobicContact CD1-CG 4.33Å; L302-R307 PolarHBondContact O-NE 3.43Å; T303-R307 PolarHBondContact O-N 2.8Å; R307-V310 PolarHBondContact O-N 2.87Å; R307-A311 WeakPolarHBondContact O-CB 3.39Å; R307-A311 PolarHBondContact O-N 2.91Å |
| 308 | F | 85.5 | Confident | 78.7 | Confident | 149 Ų | 149 | 109.3 Ų | 109.3 | 65% | 0.654 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.5 | -44.8 | 175.5 | -177.6 | -103.1 | 0 | 0 | 0 | 111.7 | P304 R305 A311 V312 | P304-F308 WeakPolarHBondContact O-CB 3.1Å; P304-F308 PolarHBondContact O-N 3.29Å; R305-F308 PolarHBondContact O-N 3.01Å; F308-A311 PolarHBondContact O-N 3.44Å; F308-V312 HydrophobicContact CD1-CG2 4.33Å; F308-V312 HydrophobicContact CE1-CG2 3.94Å; F308-V312 HydrophobicContact CE2-CG2 4.42Å; F308-V312 HydrophobicContact CZ-CG2 3.99Å; F308-V312 WeakPolarHBondContact O-CG2 3.22Å; F308-V312 PolarHBondContact O-N 2.98Å |
| 309 | R | 84.1 | Confident | 80.5 | Confident | 160 Ų | 160 | 103.4 Ų | 103.4 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -57.6 | -56.6 | 173.7 | -77 | 179 | 66.9 | 163.4 | 1.6 | 110.3 | R305 Q306 A311 V312 W313 | R305-R309 WeakPolarHBondContact O-CG 3.23Å; R305-R309 PolarHBondContact O-N 3.02Å; Q306-R309 PolarHBondContact O-N 3.25Å; R309-A311 VanDerWaalsContact C-N 3.26Å; R309-A311 PolarHBondContact O-N 3Å; R309-V312 CarbonylContact O-C 3.24Å; R309-V312 WeakPolarHBondContact O-CA 3.44Å; R309-V312 WeakPolarHBondContact O-CB 3.49Å; R309-V312 PolarHBondContact O-N 3.26Å; R309-W313 PolarHBondContact O-N 3.3Å |
| 310 | V | 84.1 | Confident | 82 | Confident | 64 Ų | 64 | 107.1 Ų | 107.1 | 39% | 0.388 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -53.6 | -44.4 | -179.4 | 172 | 0 | 0 | 0 | 0 | 110.8 | L302 Q306 R307 V312 W313 T314 | L302-V310 HydrophobicContact CD1-CG2 3.98Å; L302-V310 HydrophobicContact CD2-CG2 4.48Å; Q306-V310 WeakPolarHBondContact O-CG2 3.31Å; Q306-V310 PolarHBondContact O-N 2.93Å; R307-V310 PolarHBondContact O-N 2.87Å; V310-V312 PolarHBondContact O-N 3.36Å; V310-W313 CarbonylContact O-C 3.55Å; V310-W313 PolarHBondContact O-N 3.36Å; V310-W313 VanDerWaalsContact O-N 3.17Å; V310-T314 WeakPolarHBondContact O-CB 3.42Å; V310-T314 PolarHBondContact O-N 3.32Å; V310-T314 PolarHBondContact O-OG1 3.41Å |
| 311 | A | 87.4 | Confident | 82.9 | Confident | 50 Ų | 50 | 103.2 Ų | 103.2 | 41% | 0.413 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | R307 F308 R309 T314 V315 | R307-A311 WeakPolarHBondContact O-CB 3.39Å; R307-A311 PolarHBondContact O-N 2.91Å; F308-A311 PolarHBondContact O-N 3.44Å; R309-A311 VanDerWaalsContact C-N 3.26Å; R309-A311 PolarHBondContact O-N 3Å; A311-T314 PolarHBondContact O-N 2.92Å; A311-V315 WeakPolarHBondContact O-CG2 3.41Å; A311-V315 PolarHBondContact O-N 2.93Å |
| 312 | V | 91.6 | Very high | 83.8 | Confident | 57 Ų | 57 | 98.3 Ų | 98.3 | 35% | 0.345 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 174 | 171.6 | 0 | 0 | 0 | 0 | 111 | F308 R309 V310 T314 V315 L316 | F308-V312 HydrophobicContact CD1-CG2 4.33Å; F308-V312 HydrophobicContact CE1-CG2 3.94Å; F308-V312 HydrophobicContact CE2-CG2 4.42Å; F308-V312 HydrophobicContact CZ-CG2 3.99Å; F308-V312 WeakPolarHBondContact O-CG2 3.22Å; F308-V312 PolarHBondContact O-N 2.98Å; R309-V312 CarbonylContact O-C 3.24Å; R309-V312 WeakPolarHBondContact O-CA 3.44Å; R309-V312 WeakPolarHBondContact O-CB 3.49Å; R309-V312 PolarHBondContact O-N 3.26Å; V310-V312 PolarHBondContact O-N 3.36Å; V312-T314 VanDerWaalsContact C-N 3.33Å; V312-T314 PolarHBondContact O-N 3.34Å; V312-V315 PolarHBondContact O-N 2.87Å; V312-L316 HydrophobicContact CG1-CD1 3.8Å; V312-L316 HydrophobicContact CG1-CG 4.3Å; V312-L316 WeakPolarHBondContact O-CB 3.34Å; V312-L316 VanDerWaalsContact O-CG 3.22Å; V312-L316 WeakPolarHBondContact O-CG 3.43Å; V312-L316 PolarHBondContact O-N 3.22Å |
| 313 | W | 88.4 | Confident | 83.8 | Confident | 163 Ų | 163 | 101.7 Ų | 101.7 | 62% | 0.617 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.7 | -39.4 | 176.6 | -74.1 | 93.7 | 0 | 0 | 0 | 111.7 | R309 V310 L316 A317 | R309-W313 PolarHBondContact O-N 3.3Å; V310-W313 CarbonylContact O-C 3.55Å; V310-W313 PolarHBondContact O-N 3.36Å; V310-W313 VanDerWaalsContact O-N 3.17Å; W313-L316 PolarHBondContact O-N 3.36Å; W313-A317 WeakPolarHBondContact O-CB 3.48Å; W313-A317 PolarHBondContact O-N 2.92Å |
| 314 | T | 90.6 | Very high | 82.7 | Confident | 85 Ų | 85 | 100.8 Ų | 100.8 | 52% | 0.521 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 176.5 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | V310 A311 V312 A317 A318 | V310-T314 WeakPolarHBondContact O-CB 3.42Å; V310-T314 PolarHBondContact O-N 3.32Å; V310-T314 PolarHBondContact O-OG1 3.41Å; A311-T314 PolarHBondContact O-N 2.92Å; V312-T314 VanDerWaalsContact C-N 3.33Å; V312-T314 PolarHBondContact O-N 3.34Å; T314-A317 PolarHBondContact O-N 2.93Å; T314-A318 WeakPolarHBondContact O-CB 3.43Å; T314-A318 PolarHBondContact O-N 3.36Å |
| 315 | V | 92.7 | Very high | 81.6 | Confident | 106 Ų | 106 | 98.6 Ų | 98.6 | 64% | 0.642 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.3 | -42.4 | 175.9 | 171.5 | 0 | 0 | 0 | 0 | 111 | A311 V312 A318 G319 | A311-V315 WeakPolarHBondContact O-CG2 3.41Å; A311-V315 PolarHBondContact O-N 2.93Å; V312-V315 PolarHBondContact O-N 2.87Å; V315-A318 PolarHBondContact O-N 3Å; V315-G319 PolarHBondContact O-N 3.27Å |
| 316 | L | 89.1 | Confident | 80.7 | Confident | 93 Ų | 93 | 96.4 Ų | 96.4 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 175.5 | -71.6 | 173.3 | 0 | 0 | 0 | 111.6 | V312 W313 R320 | V312-L316 HydrophobicContact CG1-CD1 3.8Å; V312-L316 HydrophobicContact CG1-CG 4.3Å; V312-L316 WeakPolarHBondContact O-CB 3.34Å; V312-L316 VanDerWaalsContact O-CG 3.22Å; V312-L316 WeakPolarHBondContact O-CG 3.43Å; V312-L316 PolarHBondContact O-N 3.22Å; W313-L316 PolarHBondContact O-N 3.36Å; L316-R320 VanDerWaalsContact O-CB 3.27Å; L316-R320 WeakPolarHBondContact O-CB 3.33Å; L316-R320 WeakPolarHBondContact O-CG 3.45Å; L316-R320 PolarHBondContact O-N 3.01Å |
| 317 | A | 85.8 | Confident | 79.5 | Confident | 48 Ų | 48 | 101.7 Ų | 101.7 | 40% | 0.397 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.3 | -45.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | W313 T314 G319 R320 V321 | W313-A317 WeakPolarHBondContact O-CB 3.48Å; W313-A317 PolarHBondContact O-N 2.92Å; T314-A317 PolarHBondContact O-N 2.93Å; A317-G319 VanDerWaalsContact C-N 3.34Å; A317-G319 PolarHBondContact O-N 2.99Å; A317-R320 CarbonylContact O-C 3.46Å; A317-R320 PolarHBondContact O-N 3.41Å; A317-V321 WeakPolarHBondContact O-CB 3.45Å; A317-V321 WeakPolarHBondContact O-CG2 3.31Å; A317-V321 PolarHBondContact O-N 3.47Å |
| 318 | A | 88.5 | Confident | 78.1 | Confident | 56 Ų | 56 | 99.5 Ų | 99.5 | 46% | 0.463 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T314 V315 V321 A322 | T314-A318 WeakPolarHBondContact O-CB 3.43Å; T314-A318 PolarHBondContact O-N 3.36Å; V315-A318 PolarHBondContact O-N 3Å; A318-V321 PolarHBondContact O-N 2.84Å; A318-A322 WeakPolarHBondContact O-CB 3.44Å; A318-A322 PolarHBondContact O-N 3.5Å |
| 319 | G | 86.6 | Confident | 76.6 | Confident | 32 Ų | 32 | 103.2 Ų | 103.2 | 33% | 0.33 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.6 | -44.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V315 A317 V321 A322 L323 | V315-G319 PolarHBondContact O-N 3.27Å; A317-G319 VanDerWaalsContact C-N 3.34Å; A317-G319 PolarHBondContact O-N 2.99Å; G319-V321 PolarHBondContact O-N 3.46Å; G319-A322 PolarHBondContact O-N 2.62Å; G319-L323 WeakPolarHBondContact O-CB 3.44Å; G319-L323 WeakPolarHBondContact O-CD1 3.35Å; G319-L323 WeakPolarHBondContact O-CG 3.48Å; G319-L323 PolarHBondContact O-N 3.28Å |
| 320 | R | 80.3 | Confident | 75.4 | Confident | 179 Ų | 179 | 100.5 Ų | 100.5 | 68% | 0.675 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.9 | -37.6 | 174.1 | -77.8 | 174.9 | -175.3 | -173 | 2.3 | 112.5 | L316 A317 L323 S324 | L316-R320 VanDerWaalsContact O-CB 3.27Å; L316-R320 WeakPolarHBondContact O-CB 3.33Å; L316-R320 WeakPolarHBondContact O-CG 3.45Å; L316-R320 PolarHBondContact O-N 3.01Å; A317-R320 CarbonylContact O-C 3.46Å; A317-R320 PolarHBondContact O-N 3.41Å; R320-L323 CarbonylContact O-C 3.53Å; R320-S324 WeakPolarHBondContact O-CA 3.5Å; R320-S324 WeakPolarHBondContact O-CB 3.46Å; R320-S324 PolarHBondContact O-N 2.61Å |
| 321 | V | 77.2 | Confident | 74.3 | Confident | 92 Ų | 92 | 101.9 Ų | 101.9 | 56% | 0.558 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -74.8 | -38.1 | 177.9 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | A317 A318 G319 S324 A325 | A317-V321 WeakPolarHBondContact O-CB 3.45Å; A317-V321 WeakPolarHBondContact O-CG2 3.31Å; A317-V321 PolarHBondContact O-N 3.47Å; A318-V321 PolarHBondContact O-N 2.84Å; G319-V321 PolarHBondContact O-N 3.46Å; V321-S324 WeakPolarHBondContact CA-OG 3.29Å; V321-S324 CarbonylContact O-C 3.39Å; V321-S324 PolarHBondContact O-N 3.31Å; V321-S324 PolarHBondContact O-OG 3.05Å; V321-A325 VanDerWaalsContact O-CB 3.29Å; V321-A325 WeakPolarHBondContact O-CB 3.43Å; V321-A325 PolarHBondContact O-N 2.93Å |
| 322 | A | 79 | Confident | 73.5 | Confident | 53 Ų | 53 | 102.7 Ų | 102.7 | 44% | 0.438 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.9 | -42.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | A318 G319 S324 A325 H326 | A318-A322 WeakPolarHBondContact O-CB 3.44Å; A318-A322 PolarHBondContact O-N 3.5Å; G319-A322 PolarHBondContact O-N 2.62Å; A322-S324 VanDerWaalsContact C-N 3.33Å; A322-A325 PolarHBondContact O-N 2.72Å; A322-H326 PolarHBondContact O-N 2.82Å; A322-H326 PolarHBondContact O-ND1 3.17Å |
| 323 | L | 71.8 | Confident | 72.6 | Confident | 108 Ų | 108 | 107.9 Ų | 107.9 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.5 | -31.5 | 171.5 | -69 | 169 | 0 | 0 | 0 | 111.7 | G319 R320 H326 R327 | G319-L323 WeakPolarHBondContact O-CB 3.44Å; G319-L323 WeakPolarHBondContact O-CD1 3.35Å; G319-L323 WeakPolarHBondContact O-CG 3.48Å; G319-L323 PolarHBondContact O-N 3.28Å; R320-L323 CarbonylContact O-C 3.53Å; L323-H326 CarbonylContact O-C 3.56Å; L323-H326 PolarHBondContact O-N 2.99Å; L323-R327 WeakPolarHBondContact O-CB 3.21Å; L323-R327 WeakPolarHBondContact O-CG 3.41Å; L323-R327 PolarHBondContact O-N 3.45Å |
| 324 | S | 59.1 | Low | 71.9 | Confident | 55 Ų | 55 | 104.1 Ų | 104.1 | 39% | 0.385 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -79.4 | -24.6 | 174.7 | 88.8 | 0 | 0 | 0 | 0 | 112.4 | R320 V321 A322 H326 R327 V328 | R320-S324 WeakPolarHBondContact O-CA 3.5Å; R320-S324 WeakPolarHBondContact O-CB 3.46Å; R320-S324 PolarHBondContact O-N 2.61Å; V321-S324 WeakPolarHBondContact CA-OG 3.29Å; V321-S324 CarbonylContact O-C 3.39Å; V321-S324 PolarHBondContact O-N 3.31Å; V321-S324 PolarHBondContact O-OG 3.05Å; A322-S324 VanDerWaalsContact C-N 3.33Å; S324-H326 PolarHBondContact O-N 3.42Å; S324-R327 CarbonylContact O-C 3.54Å; S324-R327 VanDerWaalsContact O-C 3.24Å; S324-R327 PolarHBondContact O-N 2.91Å; S324-R327 VanDerWaalsContact O-N 3.15Å; S324-V328 WeakPolarHBondContact O-CG2 3.47Å; S324-V328 PolarHBondContact O-N 3.18Å |
| 325 | A | 60.5 | Low | 71 | Confident | 67 Ų | 67 | 101.6 Ų | 101.6 | 55% | 0.554 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.3 | -29.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | V321 A322 | V321-A325 VanDerWaalsContact O-CB 3.29Å; V321-A325 WeakPolarHBondContact O-CB 3.43Å; V321-A325 PolarHBondContact O-N 2.93Å; A322-A325 PolarHBondContact O-N 2.72Å |
| 326 | H | 57.5 | Low | 70.2 | Confident | 168 Ų | 168 | 99.6 Ų | 99.6 | 78% | 0.778 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -9.2 | 170.8 | -66 | 78.9 | 0 | 0 | 0 | 113.9 | A322 L323 S324 | A322-H326 PolarHBondContact O-N 2.82Å; A322-H326 PolarHBondContact O-ND1 3.17Å; L323-H326 CarbonylContact O-C 3.56Å; L323-H326 PolarHBondContact O-N 2.99Å; S324-H326 PolarHBondContact O-N 3.42Å |
| 327 | R | 50.1 | Low | 69.7 | Low | 201 Ų | 201 | 101.6 Ų | 101.6 | 76% | 0.758 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | 14.7 | 177.2 | -68.6 | -179.5 | 177.3 | -163.3 | 0.8 | 113.3 | L323 S324 R329 | L323-R327 WeakPolarHBondContact O-CB 3.21Å; L323-R327 WeakPolarHBondContact O-CG 3.41Å; L323-R327 PolarHBondContact O-N 3.45Å; S324-R327 CarbonylContact O-C 3.54Å; S324-R327 VanDerWaalsContact O-C 3.24Å; S324-R327 PolarHBondContact O-N 2.91Å; S324-R327 VanDerWaalsContact O-N 3.15Å; R327-R329 VanDerWaalsContact C-N 3.31Å; R327-R329 PolarHBondContact O-N 2.79Å |
| 328 | V | 50.6 | Low | 69.6 | Low | 103 Ų | 103 | 109.7 Ų | 109.7 | 62% | 0.624 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -58.7 | 111 | 160.7 | -176.4 | 0 | 0 | 0 | 0 | 101 | S324 P330 | S324-V328 WeakPolarHBondContact O-CG2 3.47Å; S324-V328 PolarHBondContact O-N 3.18Å; V328-P330 WeakPolarHBondContact O-CD 3.29Å |
| 329 | R | 54.2 | Low | 69.2 | Low | 228 Ų | 228 | 110.3 Ų | 110.3 | 86% | 0.86 | 57% | 0.567 | S | S | * | * | trans | -48.1 | 112 | 179.4 | -83.3 | -179 | 174.7 | 177.1 | -1.2 | 104.7 | R327 L331 | R327-R329 VanDerWaalsContact C-N 3.31Å; R327-R329 PolarHBondContact O-N 2.79Å; R329-L331 PolarHBondContact O-N 2.74Å; R329-L331 VanDerWaalsContact O-N 3.07Å | ||
| 330 | P | 57.5 | Low | 68.8 | Low | 102 Ų | 102 | 110.7 Ų | 110.7 | 66% | 0.662 | 56% | 0.563 | S | S | * | * | trans | -54.5 | 129.7 | -178.3 | 19.4 | -29.9 | 0 | 0 | 0 | 104.5 | V328 T332 | V328-P330 WeakPolarHBondContact O-CD 3.29Å; P330-T332 WeakPolarHBondContact O-CA 3.44Å; P330-T332 WeakPolarHBondContact O-CG2 3.45Å; P330-T332 PolarHBondContact O-N 3.15Å | ||
| 331 | L | 62.3 | Low | 68.7 | Low | 93 Ų | 93 | 107 Ų | 107 | 49% | 0.487 | 55% | 0.55 | S | S | . | . | trans | -54.6 | 96 | -178.7 | -147.8 | 89.5 | 0 | 0 | 0 | 106.2 | R329 K333 L336 L343 V346 | R329-L331 PolarHBondContact O-N 2.74Å; R329-L331 VanDerWaalsContact O-N 3.07Å; L331-K333 PolarHBondContact O-N 3.02Å; L331-L336 HydrophobicContact CD2-CD1 3.63Å; L331-L336 HydrophobicContact CD2-CD2 3.59Å; L331-L336 HydrophobicContact CD2-CG 3.52Å; L331-L336 HydrophobicContact CG-CD1 4.41Å; L331-L336 HydrophobicContact CG-CD2 4.46Å; L331-L336 HydrophobicContact CG-CG 4.09Å; L331-L343 HydrophobicContact CD1-CD1 3.86Å; L331-L343 HydrophobicContact CG-CD1 4.13Å; L331-V346 HydrophobicContact CD1-CG2 4.11Å; L331-V346 HydrophobicContact CD2-CG2 3.61Å; L331-V346 HydrophobicContact CG-CG2 4.4Å | ||
| 332 | T | 71.2 | Confident | 68.7 | Low | 68 Ų | 68 | 105.2 Ų | 105.2 | 42% | 0.417 | 55% | 0.545 | S | S | . | . | trans | -71.9 | 139.7 | -168.3 | 44 | 0 | 0 | 0 | 0 | 106.6 | P330 S334 A335 L336 | P330-T332 WeakPolarHBondContact O-CA 3.44Å; P330-T332 WeakPolarHBondContact O-CG2 3.45Å; P330-T332 PolarHBondContact O-N 3.15Å; T332-S334 WeakPolarHBondContact CB-OG 3.46Å; T332-S334 PolarHBondContact O-N 3.11Å; T332-S334 PolarHBondContact OG1-OG 3.3Å; T332-A335 PolarHBondContact O-N 3.22Å; T332-A335 VanDerWaalsContact OG1-CB 3.3Å; T332-A335 WeakPolarHBondContact OG1-CB 3.33Å; T332-A335 PolarHBondContact OG1-N 3.38Å; T332-L336 PolarHBondContact O-N 3.39Å | ||
| 333 | K | 72.2 | Confident | 68.5 | Low | 166 Ų | 166 | 105.2 Ų | 105.2 | 72% | 0.722 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -50.9 | -34.3 | 175.4 | -168.8 | 177.6 | 179.4 | -179.9 | 0 | 111 | L331 L337 | L331-K333 PolarHBondContact O-N 3.02Å; K333-L337 HydrophobicContact CG-CD1 3.96Å; K333-L337 HydrophobicContact CG-CG 4.48Å; K333-L337 WeakPolarHBondContact O-CB 3.24Å; K333-L337 WeakPolarHBondContact O-CD1 3.09Å; K333-L337 WeakPolarHBondContact O-CG 3.41Å; K333-L337 PolarHBondContact O-N 3.33Å |
| 334 | S | 73.4 | Confident | 68.6 | Low | 83 Ų | 83 | 102 Ų | 102 | 58% | 0.58 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.8 | -38.2 | 174.1 | 54.6 | 0 | 0 | 0 | 0 | 114.6 | T332 R338 | T332-S334 WeakPolarHBondContact CB-OG 3.46Å; T332-S334 PolarHBondContact O-N 3.11Å; T332-S334 PolarHBondContact OG1-OG 3.3Å; S334-R338 WeakPolarHBondContact O-CB 3.5Å; S334-R338 PolarHBondContact O-N 3.46Å; S334-R338 VanDerWaalsContact O-N 3.09Å |
| 335 | A | 70.9 | Confident | 69.4 | Low | 33 Ų | 33 | 103.7 Ų | 103.7 | 27% | 0.273 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.7 | -42.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T332 R338 D339 L343 | T332-A335 PolarHBondContact O-N 3.22Å; T332-A335 VanDerWaalsContact OG1-CB 3.3Å; T332-A335 WeakPolarHBondContact OG1-CB 3.33Å; T332-A335 PolarHBondContact OG1-N 3.38Å; A335-R338 PolarHBondContact O-N 2.64Å; A335-D339 PolarHBondContact O-N 3.31Å; A335-L343 HydrophobicContact CB-CD1 4.49Å |
| 336 | L | 75.9 | Confident | 70.5 | Confident | 64 Ų | 64 | 101.4 Ų | 101.4 | 34% | 0.335 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 174.5 | -89.4 | 175.7 | 0 | 0 | 0 | 113 | L331 T332 P340 V346 | L331-L336 HydrophobicContact CD2-CD1 3.63Å; L331-L336 HydrophobicContact CD2-CD2 3.59Å; L331-L336 HydrophobicContact CD2-CG 3.52Å; L331-L336 HydrophobicContact CG-CD1 4.41Å; L331-L336 HydrophobicContact CG-CD2 4.46Å; L331-L336 HydrophobicContact CG-CG 4.09Å; T332-L336 PolarHBondContact O-N 3.39Å; L336-P340 HydrophobicContact CD2-CB 4.47Å; L336-P340 WeakPolarHBondContact O-CB 3.38Å; L336-P340 VanDerWaalsContact O-CD 3.3Å; L336-P340 WeakPolarHBondContact O-CD 3.38Å; L336-V346 HydrophobicContact CD2-CB 4.43Å; L336-V346 HydrophobicContact CD2-CG1 3.69Å; L336-V346 HydrophobicContact CD2-CG2 3.89Å |
| 337 | L | 79 | Confident | 71.7 | Confident | 134 Ų | 134 | 95.8 Ų | 95.8 | 70% | 0.702 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -75.3 | -27.2 | -179.3 | -73.5 | 170.9 | 0 | 0 | 0 | 113 | K333 | K333-L337 HydrophobicContact CG-CD1 3.96Å; K333-L337 HydrophobicContact CG-CG 4.48Å; K333-L337 WeakPolarHBondContact O-CB 3.24Å; K333-L337 WeakPolarHBondContact O-CD1 3.09Å; K333-L337 WeakPolarHBondContact O-CG 3.41Å; K333-L337 PolarHBondContact O-N 3.33Å |
| 338 | R | 84.4 | Confident | 73.1 | Confident | 218 Ų | 218 | 90.5 Ų | 90.5 | 82% | 0.823 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -78.4 | -52.9 | -178.2 | -166.8 | -173.9 | 83.4 | -162.9 | 6.7 | 112 | S334 A335 | S334-R338 WeakPolarHBondContact O-CB 3.5Å; S334-R338 PolarHBondContact O-N 3.46Å; S334-R338 VanDerWaalsContact O-N 3.09Å; A335-R338 PolarHBondContact O-N 2.64Å |
| 339 | D | 78.6 | Confident | 74.6 | Confident | 70 Ų | 70 | 91.2 Ų | 91.2 | 37% | 0.374 | 46% | 0.458 | S | S | . | . | trans | -154.9 | 87.9 | -179.6 | -174.5 | -5.3 | 0 | 0 | 0 | 109.8 | A335 Y341 A342 | A335-D339 PolarHBondContact O-N 3.31Å; D339-Y341 PolarHBondContact O-N 2.76Å; D339-Y341 PolarHBondContact OD1-N 3.39Å; D339-A342 HydrophobicContact CB-CB 4.14Å; D339-A342 PolarHBondContact O-N 3.26Å; D339-A342 PolarHBondContact OD1-N 3.23Å; D339-A342 WeakPolarHBondContact OD2-CB 3.4Å | ||
| 340 | P | 79.1 | Confident | 76.1 | Confident | 40 Ų | 40 | 82.9 Ų | 82.9 | 26% | 0.26 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -68 | -23.8 | 179 | 26.7 | -30.9 | 0 | 0 | 0 | 112 | L336 L343 V346 I350 | L336-P340 HydrophobicContact CD2-CB 4.47Å; L336-P340 WeakPolarHBondContact O-CB 3.38Å; L336-P340 VanDerWaalsContact O-CD 3.3Å; L336-P340 WeakPolarHBondContact O-CD 3.38Å; P340-L343 PolarHBondContact O-N 3.47Å; P340-V346 HydrophobicContact CB-CG1 4.08Å; P340-I350 HydrophobicContact CB-CD1 3.97Å; P340-I350 HydrophobicContact CG-CD1 4.48Å |
| 341 | Y | 78.6 | Confident | 77.2 | Confident | 100 Ų | 100 | 79.1 Ų | 79.1 | 39% | 0.392 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -26 | 179.4 | -80.2 | -93 | 0 | 0 | 0 | 111.8 | D339 L343 R347 I350 | D339-Y341 PolarHBondContact O-N 2.76Å; D339-Y341 PolarHBondContact OD1-N 3.39Å; Y341-L343 PolarHBondContact O-N 3.4Å; Y341-L343 VanDerWaalsContact O-N 3.15Å; Y341-R347 HydrophobicContact CD1-CG 3.7Å; Y341-R347 HydrophobicContact CE1-CG 4.22Å; Y341-R347 PolarHBondContact O-NE 3.24Å; Y341-R347 PolarHBondContact O-NH2 3.2Å; Y341-I350 HydrophobicContact CE1-CG2 4.4Å; Y341-I350 HydrophobicContact CE2-CD1 4.47Å; Y341-I350 HydrophobicContact CE2-CG2 4.47Å; Y341-I350 VanDerWaalsContact OH-CG2 3.31Å; Y341-I350 WeakPolarHBondContact OH-CG2 3.37Å |
| 342 | A | 76.4 | Confident | 78 | Confident | 55 Ų | 55 | 75.9 Ų | 75.9 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | D339 | D339-A342 HydrophobicContact CB-CB 4.14Å; D339-A342 PolarHBondContact O-N 3.26Å; D339-A342 PolarHBondContact OD1-N 3.23Å; D339-A342 WeakPolarHBondContact OD2-CB 3.4Å |
| 343 | L | 76.2 | Confident | 78.5 | Confident | 53 Ų | 53 | 75 Ų | 75 | 28% | 0.277 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -92.8 | 104.9 | -175.3 | -62.5 | 170.9 | 0 | 0 | 0 | 110.9 | L331 A335 P340 Y341 P345 V346 R347 | L331-L343 HydrophobicContact CD1-CD1 3.86Å; L331-L343 HydrophobicContact CG-CD1 4.13Å; A335-L343 HydrophobicContact CB-CD1 4.49Å; P340-L343 PolarHBondContact O-N 3.47Å; Y341-L343 PolarHBondContact O-N 3.4Å; Y341-L343 VanDerWaalsContact O-N 3.15Å; L343-P345 VanDerWaalsContact C-CD 3.49Å; L343-P345 VanDerWaalsContact O-N 3.16Å; L343-V346 HydrophobicContact CB-CB 3.99Å; L343-V346 HydrophobicContact CB-CG2 3.77Å; L343-V346 HydrophobicContact CD1-CG2 4.14Å; L343-V346 WeakPolarHBondContact O-CB 3.35Å; L343-V346 PolarHBondContact O-N 2.9Å; L343-R347 PolarHBondContact O-N 3.24Å |
| 344 | R | 72.8 | Confident | 78.9 | Confident | 40 Ų | 40 | 68.6 Ų | 68.6 | 15% | 0.151 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -47.1 | -45.2 | -176.5 | -168.8 | -177.3 | -171.4 | -173.5 | 9.8 | 114.9 | E256 D259 R348 | E256-R344 PolarHBondContact O-NH2 2.96Å; D259-R344 IonicContact OD2-NH1 2.87Å; D259-R344 PolarHBondContact OD2-NH1 3.39Å; R344-R348 VanDerWaalsContact NH2-NH2 3.13Å; R344-R348 WeakPolarHBondContact O-CG 3.31Å; R344-R348 PolarHBondContact O-N 3.36Å; R344-R348 VanDerWaalsContact O-N 3.14Å |
| 345 | P | 76.8 | Confident | 78.8 | Confident | 91 Ų | 91 | 66 Ų | 66 | 59% | 0.591 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -68.2 | -36.7 | 178.5 | -19.9 | 33.8 | 0 | 0 | 0 | 113.4 | L343 L349 | L343-P345 VanDerWaalsContact C-CD 3.49Å; L343-P345 VanDerWaalsContact O-N 3.16Å; P345-L349 WeakPolarHBondContact O-CG 3.4Å; P345-L349 PolarHBondContact O-N 3.46Å |
| 346 | V | 82.4 | Confident | 79.1 | Confident | 19 Ų | 19 | 72.5 Ų | 72.5 | 12% | 0.115 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.6 | -45.7 | 178.9 | -178.3 | 0 | 0 | 0 | 0 | 109.8 | L331 L336 P340 L343 R348 L349 I350 | L331-V346 HydrophobicContact CD1-CG2 4.11Å; L331-V346 HydrophobicContact CD2-CG2 3.61Å; L331-V346 HydrophobicContact CG-CG2 4.4Å; L336-V346 HydrophobicContact CD2-CB 4.43Å; L336-V346 HydrophobicContact CD2-CG1 3.69Å; L336-V346 HydrophobicContact CD2-CG2 3.89Å; P340-V346 HydrophobicContact CB-CG1 4.08Å; L343-V346 HydrophobicContact CB-CB 3.99Å; L343-V346 HydrophobicContact CB-CG2 3.77Å; L343-V346 HydrophobicContact CD1-CG2 4.14Å; L343-V346 WeakPolarHBondContact O-CB 3.35Å; L343-V346 PolarHBondContact O-N 2.9Å; V346-R348 PolarHBondContact O-N 2.83Å; V346-L349 WeakPolarHBondContact O-CB 3.44Å; V346-L349 PolarHBondContact O-N 3.48Å; V346-L349 VanDerWaalsContact O-N 3.13Å; V346-I350 HydrophobicContact CG1-CD1 3.8Å; V346-I350 HydrophobicContact CG1-CG1 4.34Å; V346-I350 WeakPolarHBondContact O-CG1 3.33Å; V346-I350 PolarHBondContact O-N 3.46Å |
| 347 | R | 83.4 | Confident | 79.2 | Confident | 51 Ų | 51 | 74.9 Ų | 74.9 | 19% | 0.192 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -53.8 | -50.6 | 175.6 | -169.7 | -171.2 | -48 | 158.7 | 4.9 | 111.6 | E256 Y341 L343 L349 I350 D351 | E256-R347 IonicContact OE1-CZ 2.79Å; E256-R347 IonicContact OE1-NH1 3.88Å; E256-R347 PolarHBondContact OE1-NH1 3.37Å; Y341-R347 HydrophobicContact CD1-CG 3.7Å; Y341-R347 HydrophobicContact CE1-CG 4.22Å; Y341-R347 PolarHBondContact O-NE 3.24Å; Y341-R347 PolarHBondContact O-NH2 3.2Å; L343-R347 PolarHBondContact O-N 3.24Å; R347-L349 VanDerWaalsContact C-N 3.29Å; R347-L349 PolarHBondContact O-N 2.8Å; R347-I350 PolarHBondContact O-N 3.31Å; R347-I350 VanDerWaalsContact O-N 3.11Å; R347-D351 VanDerWaalsContact O-CG 3.24Å; R347-D351 PolarHBondContact O-N 3.2Å |
| 348 | R | 78.4 | Confident | 79 | Confident | 89 Ų | 89 | 75.4 Ų | 75.4 | 34% | 0.336 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.6 | -39.9 | 177.5 | -75.3 | 178.5 | 174 | 173.6 | -3.4 | 113 | V123 R344 V346 S352 | V123-R348 HydrophobicContact CB-CG 4.28Å; V123-R348 HydrophobicContact CG1-CG 4.09Å; R344-R348 VanDerWaalsContact NH2-NH2 3.13Å; R344-R348 WeakPolarHBondContact O-CG 3.31Å; R344-R348 PolarHBondContact O-N 3.36Å; R344-R348 VanDerWaalsContact O-N 3.14Å; V346-R348 PolarHBondContact O-N 2.83Å; R348-S352 WeakPolarHBondContact O-CB 3.48Å; R348-S352 PolarHBondContact O-N 2.77Å |
| 349 | L | 82.9 | Confident | 77.9 | Confident | 119 Ų | 119 | 65.2 Ų | 65.2 | 62% | 0.623 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67.2 | -43.2 | 176.4 | -75.9 | 166.5 | 0 | 0 | 0 | 111.6 | P345 V346 R347 C353 | P345-L349 WeakPolarHBondContact O-CG 3.4Å; P345-L349 PolarHBondContact O-N 3.46Å; V346-L349 WeakPolarHBondContact O-CB 3.44Å; V346-L349 PolarHBondContact O-N 3.48Å; V346-L349 VanDerWaalsContact O-N 3.13Å; R347-L349 VanDerWaalsContact C-N 3.29Å; R347-L349 PolarHBondContact O-N 2.8Å; L349-C353 WeakPolarHBondContact O-CB 3.25Å; L349-C353 PolarHBondContact O-N 3.41Å; L349-C353 PolarHBondContact O-SG 2.89Å |
| 350 | I | 85 | Confident | 77.1 | Confident | 53 Ų | 53 | 67.4 Ų | 67.4 | 27% | 0.272 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.5 | -50.3 | 176.8 | -67.1 | 169.1 | 0 | 0 | 0 | 109.9 | P340 Y341 V346 R347 S352 C353 A354 | P340-I350 HydrophobicContact CB-CD1 3.97Å; P340-I350 HydrophobicContact CG-CD1 4.48Å; Y341-I350 HydrophobicContact CE1-CG2 4.4Å; Y341-I350 HydrophobicContact CE2-CD1 4.47Å; Y341-I350 HydrophobicContact CE2-CG2 4.47Å; Y341-I350 VanDerWaalsContact OH-CG2 3.31Å; Y341-I350 WeakPolarHBondContact OH-CG2 3.37Å; V346-I350 HydrophobicContact CG1-CD1 3.8Å; V346-I350 HydrophobicContact CG1-CG1 4.34Å; V346-I350 WeakPolarHBondContact O-CG1 3.33Å; V346-I350 PolarHBondContact O-N 3.46Å; R347-I350 PolarHBondContact O-N 3.31Å; R347-I350 VanDerWaalsContact O-N 3.11Å; I350-S352 PolarHBondContact O-N 3.05Å; I350-C353 PolarHBondContact O-N 2.77Å; I350-A354 VanDerWaalsContact O-CB 3.31Å; I350-A354 WeakPolarHBondContact O-CB 3.32Å; I350-A354 PolarHBondContact O-N 3.43Å |
| 351 | D | 81.1 | Confident | 76 | Confident | 23 Ų | 23 | 74 Ų | 74 | 12% | 0.123 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.5 | -43.7 | -178.2 | -64 | -17.2 | 0 | 0 | 0 | 111.4 | V123 R347 C353 A354 F355 F374 | V123-D351 HydrophobicContact CG2-CB 3.86Å; R347-D351 VanDerWaalsContact O-CG 3.24Å; R347-D351 PolarHBondContact O-N 3.2Å; D351-C353 PolarHBondContact O-N 3.47Å; D351-A354 PolarHBondContact O-N 3.17Å; D351-F355 WeakPolarHBondContact O-CB 3.43Å; D351-F355 PolarHBondContact O-N 2.87Å; D351-F374 WeakPolarHBondContact OD2-CE1 3.37Å |
| 352 | S | 78.7 | Confident | 74.8 | Confident | 24 Ų | 24 | 70.4 Ų | 70.4 | 17% | 0.168 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 176.1 | -176.4 | 0 | 0 | 0 | 0 | 112.5 | E121 R348 I350 R356 | E121-S352 PolarHBondContact O-OG 2.92Å; R348-S352 WeakPolarHBondContact O-CB 3.48Å; R348-S352 PolarHBondContact O-N 2.77Å; I350-S352 PolarHBondContact O-N 3.05Å; S352-R356 WeakPolarHBondContact O-CG 3.13Å; S352-R356 PolarHBondContact O-N 3.11Å; S352-R356 VanDerWaalsContact O-N 3.12Å; S352-R356 PolarHBondContact O-NE 3.22Å |
| 353 | C | 82.6 | Confident | 73.7 | Confident | 51 Ų | 51 | 73.8 Ų | 73.8 | 35% | 0.345 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.8 | -43.9 | 174.1 | -74.2 | 0 | 0 | 0 | 0 | 112.3 | L349 I350 D351 F355 R356 L357 | L349-C353 WeakPolarHBondContact O-CB 3.25Å; L349-C353 PolarHBondContact O-N 3.41Å; L349-C353 PolarHBondContact O-SG 2.89Å; I350-C353 PolarHBondContact O-N 2.77Å; D351-C353 PolarHBondContact O-N 3.47Å; C353-F355 VanDerWaalsContact C-N 3.29Å; C353-F355 PolarHBondContact O-N 3.26Å; C353-R356 PolarHBondContact O-N 3.06Å; C353-R356 PolarHBondContact SG-NH2 3.46Å; C353-L357 PolarHBondContact O-N 3.44Å |
| 354 | A | 81 | Confident | 72.2 | Confident | 31 Ų | 31 | 79.5 Ų | 79.5 | 26% | 0.256 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I350 D351 L357 Y358 | I350-A354 VanDerWaalsContact O-CB 3.31Å; I350-A354 WeakPolarHBondContact O-CB 3.32Å; I350-A354 PolarHBondContact O-N 3.43Å; D351-A354 PolarHBondContact O-N 3.17Å; A354-L357 PolarHBondContact O-N 3.07Å; A354-Y358 HydrophobicContact CB-CD2 4.46Å; A354-Y358 WeakPolarHBondContact O-CA 3.33Å; A354-Y358 WeakPolarHBondContact O-CB 3.25Å; A354-Y358 VanDerWaalsContact O-CD2 3.3Å; A354-Y358 WeakPolarHBondContact O-CD2 3.37Å; A354-Y358 PolarHBondContact O-N 3.39Å |
| 355 | F | 70.7 | Confident | 70.8 | Confident | 27 Ų | 27 | 79.8 Ų | 79.8 | 12% | 0.118 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 175.6 | -175.1 | -109 | 0 | 0 | 0 | 113 | T120 D351 C353 L357 G359 | T120-F355 HydrophobicContact CG2-CB 4.31Å; T120-F355 HydrophobicContact CG2-CD1 3.83Å; T120-F355 HydrophobicContact CG2-CD2 3.24Å; T120-F355 HydrophobicContact CG2-CE1 3.84Å; T120-F355 HydrophobicContact CG2-CE2 3.27Å; T120-F355 HydrophobicContact CG2-CG 3.52Å; T120-F355 HydrophobicContact CG2-CZ 3.57Å; D351-F355 WeakPolarHBondContact O-CB 3.43Å; D351-F355 PolarHBondContact O-N 2.87Å; C353-F355 VanDerWaalsContact C-N 3.29Å; C353-F355 PolarHBondContact O-N 3.26Å; F355-L357 PolarHBondContact O-N 3.37Å; F355-G359 WeakPolarHBondContact O-CA 3.49Å; F355-G359 PolarHBondContact O-N 3.28Å |
| 356 | R | 77.3 | Confident | 69.2 | Low | 171 Ų | 171 | 83.4 Ų | 83.4 | 65% | 0.645 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.8 | -33.2 | 175.9 | -77.1 | -175.2 | -68.3 | 167.4 | 0.1 | 113.1 | S352 C353 | S352-R356 WeakPolarHBondContact O-CG 3.13Å; S352-R356 PolarHBondContact O-N 3.11Å; S352-R356 VanDerWaalsContact O-N 3.12Å; S352-R356 PolarHBondContact O-NE 3.22Å; C353-R356 PolarHBondContact O-N 3.06Å; C353-R356 PolarHBondContact SG-NH2 3.46Å |
| 357 | L | 77.9 | Confident | 67.4 | Low | 114 Ų | 114 | 91.5 Ų | 91.5 | 60% | 0.597 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -83.3 | -45.7 | 178.3 | -70.5 | 168.7 | 0 | 0 | 0 | 112.5 | C353 A354 F355 H360 | C353-L357 PolarHBondContact O-N 3.44Å; A354-L357 PolarHBondContact O-N 3.07Å; F355-L357 PolarHBondContact O-N 3.37Å; L357-H360 PolarHBondContact O-CE1 3.19Å; L357-H360 PolarHBondContact O-ND1 3.05Å; L357-H360 VanDerWaalsContact O-ND1 3.09Å |
| 358 | Y | 74.3 | Confident | 65.8 | Low | 144 Ų | 144 | 93 Ų | 93 | 57% | 0.565 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -111.4 | -0.2 | -169 | -56.1 | -67.6 | 0 | 0 | 0 | 114.4 | A354 H360 W361 | A354-Y358 HydrophobicContact CB-CD2 4.46Å; A354-Y358 WeakPolarHBondContact O-CA 3.33Å; A354-Y358 WeakPolarHBondContact O-CB 3.25Å; A354-Y358 VanDerWaalsContact O-CD2 3.3Å; A354-Y358 WeakPolarHBondContact O-CD2 3.37Å; A354-Y358 PolarHBondContact O-N 3.39Å; Y358-H360 PolarHBondContact O-N 2.76Å; Y358-H360 VanDerWaalsContact O-N 3.07Å; Y358-W361 WeakPolarHBondContact O-CB 3.19Å; Y358-W361 PolarHBondContact O-N 2.99Å |
| 359 | G | 61.6 | Low | 64.4 | Low | 5 Ų | 5 | 90.9 Ų | 90.9 | 5% | 0.052 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -58 | -28.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F355 W361 V362 K363 | F355-G359 WeakPolarHBondContact O-CA 3.49Å; F355-G359 PolarHBondContact O-N 3.28Å; G359-W361 PolarHBondContact O-N 2.87Å; G359-V362 WeakPolarHBondContact O-CB 3.38Å; G359-V362 PolarHBondContact O-N 3.3Å; G359-K363 PolarHBondContact O-N 3.49Å |
| 360 | H | 62.8 | Low | 62.8 | Low | 116 Ų | 116 | 85.7 Ų | 85.7 | 54% | 0.537 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.5 | -18.8 | 173 | 66.6 | -83.5 | 0 | 0 | 0 | 114.5 | L357 Y358 | L357-H360 PolarHBondContact O-CE1 3.19Å; L357-H360 PolarHBondContact O-ND1 3.05Å; L357-H360 VanDerWaalsContact O-ND1 3.09Å; Y358-H360 PolarHBondContact O-N 2.76Å; Y358-H360 VanDerWaalsContact O-N 3.07Å |
| 361 | W | 54.5 | Low | 61.1 | Low | 179 Ų | 179 | 83.6 Ų | 83.6 | 68% | 0.678 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -85.1 | -22.6 | 172.5 | -67.1 | 80.8 | 0 | 0 | 0 | 113.1 | Y358 G359 Q368 | Y358-W361 WeakPolarHBondContact O-CB 3.19Å; Y358-W361 PolarHBondContact O-N 2.99Å; G359-W361 PolarHBondContact O-N 2.87Å; W361-Q368 PolarHBondContact O-OE1 2.83Å |
| 362 | V | 54.4 | Low | 59.8 | Low | 23 Ų | 23 | 84.5 Ų | 84.5 | 14% | 0.139 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -80.9 | -25.3 | 176.7 | -172.3 | 0 | 0 | 0 | 0 | 111 | G359 K364 Q368 L373 | G359-V362 WeakPolarHBondContact O-CB 3.38Å; G359-V362 PolarHBondContact O-N 3.3Å; V362-K364 PolarHBondContact O-N 3.38Å; V362-K364 VanDerWaalsContact O-N 3.14Å; V362-Q368 PolarHBondContact O-OE1 3.19Å; V362-L373 HydrophobicContact CG2-CD1 4.33Å; V362-L373 HydrophobicContact CG2-CD2 3.62Å; V362-L373 HydrophobicContact CG2-CG 4.07Å |
| 363 | K | 52.5 | Low | 58.4 | Low | 127 Ų | 127 | 86.7 Ų | 86.7 | 55% | 0.552 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -80.4 | 23.7 | -176.2 | -70.9 | -167.2 | 172.2 | -149.9 | 0 | 115.2 | D117 G359 | D117-K363 WeakPolarHBondContact OD1-CE 3.46Å; D117-K363 IonicContact OD1-NZ 2.6Å; D117-K363 PolarHBondContact OD1-NZ 3.19Å; D117-K363 VanDerWaalsContact OD1-NZ 3.12Å; D117-K363 IonicContact OD2-NZ 3.48Å; D117-K363 PolarHBondContact OD2-NZ 3.16Å; G359-K363 PolarHBondContact O-N 3.49Å |
| 364 | K | 45.1 | Very low | 56.7 | Low | 173 Ų | 173 | 87.9 Ų | 87.9 | 75% | 0.752 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -115.9 | 20 | -169.6 | -78.4 | -165.5 | 177.1 | -174.9 | 0 | 117.3 | V362 | V362-K364 PolarHBondContact O-N 3.38Å; V362-K364 VanDerWaalsContact O-N 3.14Å |
| 365 | G | 43.4 | Very low | 55.3 | Low | 45 Ų | 45 | 90.1 Ų | 90.1 | 46% | 0.464 | 42% | 0.424 | S | S | . | . | trans | 175 | 159 | 162.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q367 Q368 | G365-Q367 PolarHBondContact O-N 3.49Å; G365-Q368 PolarHBondContact O-N 2.63Å; G365-Q368 VanDerWaalsContact O-N 3.16Å | ||
| 366 | E | 43.3 | Very low | 53.7 | Low | 167 Ų | 167 | 97.7 Ų | 97.7 | 78% | 0.78 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -13.1 | -179.5 | -65.2 | -179.2 | 146.9 | 0 | 0 | 114.5 | V34 | V34-E366 VanDerWaalsContact CG2-CD 3.49Å; V34-E366 WeakPolarHBondContact CG2-OE1 3.22Å |
| 367 | Q | 43.8 | Very low | 51.9 | Low | 189 Ų | 189 | 99.3 Ų | 99.3 | 88% | 0.883 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -0.2 | -178.9 | -65.1 | -174.7 | -7.9 | 0 | 0 | 114.3 | G365 N369 | G365-Q367 PolarHBondContact O-N 3.49Å; Q367-N369 PolarHBondContact O-N 2.86Å |
| 368 | Q | 51.1 | Low | 50 | Low | 84 Ų | 84 | 99.2 Ų | 99.2 | 39% | 0.393 | 47% | 0.472 | S | S | . | . | trans | -95.4 | 82.6 | -171.6 | -67.9 | -171.1 | -7.3 | 0 | 0 | 112.7 | W361 V362 G365 | W361-Q368 PolarHBondContact O-OE1 2.83Å; V362-Q368 PolarHBondContact O-OE1 3.19Å; G365-Q368 PolarHBondContact O-N 2.63Å; G365-Q368 VanDerWaalsContact O-N 3.16Å | ||
| 369 | N | 49.5 | Very low | 48.6 | Very low | 44 Ų | 44 | 96.8 Ų | 96.8 | 24% | 0.235 | 47% | 0.474 | C | S | . | . | trans | -69.7 | 145.3 | 173.5 | -159.4 | -19 | 0 | 0 | 0 | 110.9 | Q367 A371 A372 | Q367-N369 PolarHBondContact O-N 2.86Å; N369-A371 PolarHBondContact O-N 3.09Å; N369-A372 WeakPolarHBondContact O-CB 3.5Å; N369-A372 PolarHBondContact O-N 3.14Å | ||
| 370 | R | 48.4 | Very low | 47.8 | Very low | 9 Ų | 9 | 98.8 Ų | 98.8 | 3% | 0.034 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -49.3 | -30 | -179 | -179.6 | 176.3 | 162.3 | 131.1 | -3.6 | 114.3 | F116 L119 T120 V123 G229 A372 L373 F374 | F116-R370 HydrophobicContact CE2-CB 4.08Å; F116-R370 HydrophobicContact CZ-CB 4.07Å; L119-R370 VanDerWaalsContact C-NH1 3.35Å; L119-R370 PolarHBondContact O-NH1 3.33Å; T120-R370 VanDerWaalsContact CA-NH1 3.25Å; V123-R370 PolarHBondContact O-NH2 3.28Å; G229-R370 PolarHBondContact O-NE 3.19Å; G229-R370 PolarHBondContact O-NH2 3.17Å; R370-A372 PolarHBondContact O-N 3.34Å; R370-A372 VanDerWaalsContact O-N 3.17Å; R370-L373 HydrophobicContact CG-CD1 4.47Å; R370-L373 WeakPolarHBondContact O-CB 3.18Å; R370-L373 PolarHBondContact O-N 3.08Å; R370-F374 HydrophobicContact CG-CE2 4.4Å |
| 371 | A | 50.3 | Low | 46.8 | Very low | 10 Ų | 10 | 99.3 Ų | 99.3 | 8% | 0.083 | 51% | 0.509 | C | S | . | . | G | 310 helix | trans | -62.3 | -17.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | W234 N369 L373 F374 | W234-A371 VanDerWaalsContact CD1-CB 3.43Å; W234-A371 HydrophobicContact CD2-CB 3.49Å; W234-A371 VanDerWaalsContact CD2-CB 3.49Å; W234-A371 HydrophobicContact CE3-CB 4.28Å; W234-A371 HydrophobicContact CG-CB 3.63Å; W234-A371 HydrophobicContact CH2-CB 4.46Å; W234-A371 HydrophobicContact CZ2-CB 3.74Å; N369-A371 PolarHBondContact O-N 3.09Å; A371-L373 PolarHBondContact O-N 2.98Å; A371-F374 PolarHBondContact O-N 3.12Å |
| 372 | A | 53.3 | Low | 46.1 | Very low | 42 Ų | 42 | 99.5 Ų | 99.5 | 35% | 0.347 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -60.5 | -30.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113 | N369 R370 F374 Q375 | N369-A372 WeakPolarHBondContact O-CB 3.5Å; N369-A372 PolarHBondContact O-N 3.14Å; R370-A372 PolarHBondContact O-N 3.34Å; R370-A372 VanDerWaalsContact O-N 3.17Å; A372-F374 VanDerWaalsContact C-N 3.25Å; A372-F374 PolarHBondContact O-N 3.29Å; A372-Q375 WeakPolarHBondContact O-CB 3.38Å; A372-Q375 WeakPolarHBondContact O-CG 3.27Å; A372-Q375 PolarHBondContact O-N 2.95Å |
| 373 | L | 47.8 | Very low | 45.4 | Very low | 69 Ų | 69 | 104.2 Ų | 104.2 | 36% | 0.361 | 55% | 0.546 | S | S | . | . | G | 310 helix | trans | -66.8 | -24.8 | 176.4 | -75.9 | 165 | 0 | 0 | 0 | 113.5 | T120 V362 R370 A371 | T120-L373 HydrophobicContact CG2-CD1 4.33Å; V362-L373 HydrophobicContact CG2-CD1 4.33Å; V362-L373 HydrophobicContact CG2-CD2 3.62Å; V362-L373 HydrophobicContact CG2-CG 4.07Å; R370-L373 HydrophobicContact CG-CD1 4.47Å; R370-L373 WeakPolarHBondContact O-CB 3.18Å; R370-L373 PolarHBondContact O-N 3.08Å; A371-L373 PolarHBondContact O-N 2.98Å |
| 374 | F | 48.4 | Very low | 44.4 | Very low | 77 Ų | 77 | 106.6 Ų | 106.6 | 34% | 0.338 | 56% | 0.561 | S | S | . | * | G | 310 helix | trans | -98.1 | 12 | -178.6 | -57 | -72.9 | 0 | 0 | 0 | 112.6 | D351 R370 A371 A372 H376 | D351-F374 WeakPolarHBondContact OD2-CE1 3.37Å; R370-F374 HydrophobicContact CG-CE2 4.4Å; A371-F374 PolarHBondContact O-N 3.12Å; A372-F374 VanDerWaalsContact C-N 3.25Å; A372-F374 PolarHBondContact O-N 3.29Å; F374-H376 PolarHBondContact O-N 2.65Å |
| 375 | Q | 51.6 | Low | 43.9 | Very low | 77 Ų | 77 | 107.5 Ų | 107.5 | 36% | 0.36 | 57% | 0.57 | S | S | . | * | trans | -72.9 | 117.9 | 174.7 | -67.5 | -179.8 | 13.6 | 0 | 0 | 110.2 | A372 R377 | A372-Q375 WeakPolarHBondContact O-CB 3.38Å; A372-Q375 WeakPolarHBondContact O-CG 3.27Å; A372-Q375 PolarHBondContact O-N 2.95Å; Q375-R377 PolarHBondContact O-N 3.31Å | ||
| 376 | H | 36.8 | Very low | 43.3 | Very low | 186 Ų | 186 | 109.3 Ų | 109.3 | 86% | 0.861 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -76.3 | 4.7 | 176.7 | -69.7 | -72.2 | 0 | 0 | 0 | 114.3 | F374 | F374-H376 PolarHBondContact O-N 2.65Š|
| 377 | R | 38.7 | Very low | 42.8 | Very low | 206 Ų | 206 | 106.9 Ų | 106.9 | 78% | 0.777 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -138.5 | 135.7 | 174.5 | -109.6 | -179.9 | -173.8 | 175.5 | 2.4 | 108.9 | Q375 | Q375-R377 PolarHBondContact O-N 3.31Š|
| 378 | P | 38.5 | Very low | 42.4 | Very low | 111 Ų | 111 | 107.1 Ų | 107.1 | 72% | 0.721 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 146 | 171.1 | 24.6 | -32.8 | 0 | 0 | 0 | 109.6 | G380 | P378-G380 PolarHBondContact O-N 3.34Š|
| 379 | P | 44 | Very low | 41.4 | Very low | 93 Ų | 93 | 112.1 Ų | 112.1 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -52 | 133.7 | 166 | 19.6 | -27 | 0 | 0 | 0 | 107.6 | ||
| 380 | G | 45.2 | Very low | 40.6 | Very low | 48 Ų | 48 | 119.3 Ų | 119.3 | 50% | 0.495 | 64% | 0.636 | S | S | . | * | P | Polyproline II helix | trans | -53.1 | 155.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P378 F382 | P378-G380 PolarHBondContact O-N 3.34Å; G380-F382 PolarHBondContact O-N 3.23Å; G380-F382 VanDerWaalsContact O-N 3.15Å |
| 381 | P | 42.1 | Very low | 39.9 | Very low | 127 Ų | 127 | 122.1 Ų | 122.1 | 83% | 0.825 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 129.3 | 179.8 | 20.4 | -31.1 | 0 | 0 | 0 | 109 | ||
| 382 | F | 40.5 | Very low | 38.9 | Very low | 183 Ų | 183 | 129.2 Ų | 129.2 | 80% | 0.803 | 70% | 0.704 | S | S | * | * | trans | -40.1 | 127.7 | 172.2 | -81.5 | -94.6 | 0 | 0 | 0 | 108.1 | G380 M384 | G380-F382 PolarHBondContact O-N 3.23Å; G380-F382 VanDerWaalsContact O-N 3.15Å; F382-M384 PolarHBondContact O-N 2.86Å | ||
| 383 | P | 38.5 | Very low | 38.2 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | trans | -59.4 | 111.9 | 164.5 | 19.7 | -19.5 | 0 | 0 | 0 | 105.2 | M385 | P383-M385 PolarHBondContact O-N 3.23Š| ||
| 384 | M | 31.5 | Very low | 37.5 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 87% | 0.867 | 75% | 0.745 | S | S | * | * | trans | -51.1 | 127.5 | 162.8 | -75.9 | -148.2 | -74.2 | 0 | 0 | 105.6 | F382 A386 | F382-M384 PolarHBondContact O-N 2.86Å; M384-A386 VanDerWaalsContact C-N 3.35Å; M384-A386 PolarHBondContact O-N 3.16Å | ||
| 385 | M | 34.9 | Very low | 36.7 | Very low | 192 Ų | 192 | 137.7 Ų | 137.7 | 95% | 0.946 | 77% | 0.765 | S | S | * | * | trans | -46.6 | 106.6 | 166.8 | -81.8 | 174.4 | 148.4 | 0 | 0 | 107 | P383 | P383-M385 PolarHBondContact O-N 3.23Š| ||
| 386 | A | 30.6 | Very low | 35.8 | Very low | 83 Ų | 83 | 141.6 Ų | 141.6 | 69% | 0.686 | 79% | 0.787 | S | S | * | * | trans | -69.1 | 135.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 106 | M384 E388 | M384-A386 VanDerWaalsContact C-N 3.35Å; M384-A386 PolarHBondContact O-N 3.16Å; A386-E388 PolarHBondContact O-N 3.46Å | ||
| 387 | P | 32.7 | Very low | 35.6 | Very low | 116 Ų | 116 | 138.3 Ų | 138.3 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | -61.5 | 137 | 174.8 | 14.6 | -11.8 | 0 | 0 | 0 | 108.9 | E389 | P387-E389 PolarHBondContact O-N 2.66Å; P387-E389 VanDerWaalsContact O-N 3.16Å | ||
| 388 | E | 36.1 | Very low | 35.6 | Very low | 195 Ų | 195 | 137.2 Ų | 137.2 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -54.1 | 114.8 | 170.9 | -66.1 | 174.8 | 158.1 | 0 | 0 | 109.1 | A386 | A386-E388 PolarHBondContact O-N 3.46Š| ||
| 389 | E | 30.2 | Very low | 35.4 | Very low | 188 Ų | 188 | 139.5 Ų | 139.5 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -99.9 | 120.4 | 161 | -78 | -169.4 | 167 | 0 | 0 | 108.3 | P387 | P387-E389 PolarHBondContact O-N 2.66Å; P387-E389 VanDerWaalsContact O-N 3.16Å | ||
| 390 | E | 33.3 | Very low | 35 | Very low | 195 Ų | 195 | 144.7 Ų | 144.7 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -59.6 | 138.9 | 172 | -69.4 | 176.6 | 138.2 | 0 | 0 | 111.6 | ||||
| 391 | G | 32.2 | Very low | 34.4 | Very low | 68 Ų | 68 | 147 Ų | 147 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | trans | 75 | 105.6 | 147.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 392 | D | 29.4 | Very low | 34.1 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | -170 | 145.8 | 107.7 | -109.3 | -19.9 | 0 | 0 | 0 | 112.8 | |||||
| 393 | S | 39.5 | Very low | 33.7 | Very low | 109 Ų | 109 | 149 Ų | 149 | 76% | 0.762 | 83% | 0.831 | S | S | * | * | trans | -56.8 | 125.6 | 177.5 | 53 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 394 | V | 32.7 | Very low | 33.3 | Very low | 132 Ų | 132 | 150 Ų | 150 | 80% | 0.8 | 83% | 0.834 | S | S | * | * | trans | -138.7 | 120.5 | 159.6 | -176.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 395 | T | 31.1 | Very low | 33.4 | Very low | 125 Ų | 125 | 150.3 Ų | 150.3 | 77% | 0.767 | 84% | 0.838 | S | S | * | * | trans | -37.2 | 134.7 | 168.4 | 37.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 396 | I | 33.3 | Very low | 33.3 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 82% | 0.821 | 87% | 0.868 | S | S | * | * | trans | -81.4 | 123.6 | 168 | -59 | 165.9 | 0 | 0 | 0 | 108.3 | ||||
| 397 | P | 32.2 | Very low | 33.4 | Very low | 116 Ų | 116 | 151.7 Ų | 151.7 | 75% | 0.753 | 88% | 0.877 | S | S | * | * | trans | -81.1 | 126.3 | 161.8 | -1.7 | 20.3 | 0 | 0 | 0 | 109.6 | D399 | P397-D399 PolarHBondContact O-N 3.36Š| ||
| 398 | E | 39.2 | Very low | 33.5 | Very low | 184 Ų | 184 | 153.5 Ų | 153.5 | 86% | 0.86 | 88% | 0.883 | S | S | * | * | trans | -61.2 | 114.8 | 159.9 | -66.1 | 175.5 | 147.9 | 0 | 0 | 109 | ||||
| 399 | D | 35.2 | Very low | 33.3 | Very low | 159 Ų | 159 | 151.2 Ų | 151.2 | 85% | 0.85 | 88% | 0.882 | S | S | * | * | trans | 172.4 | 101.5 | 144.4 | -94.1 | -22.1 | 0 | 0 | 0 | 109.7 | P397 | P397-D399 PolarHBondContact O-N 3.36Š| ||
| 400 | E | 33.8 | Very low | 33.5 | Very low | 201 Ų | 201 | 149.1 Ų | 149.1 | 94% | 0.939 | 88% | 0.882 | S | S | * | * | trans | 174.6 | 53.8 | 139 | -96.3 | -175.4 | -176.3 | 0 | 0 | 109.3 | ||||
| 401 | A | 33.3 | Very low | 33.5 | Very low | 98 Ų | 98 | 146.2 Ų | 146.2 | 81% | 0.81 | 88% | 0.88 | S | S | * | * | trans | -96.6 | 96.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 402 | M | 35.2 | Very low | 33.6 | Very low | 180 Ų | 180 | 151.4 Ų | 151.4 | 89% | 0.887 | 89% | 0.892 | S | S | * | * | trans | 161.3 | 109.7 | 149.6 | -88.9 | -143.5 | -170.4 | 0 | 0 | 108.8 | ||||
| 403 | L | 32.7 | Very low | 33.9 | Very low | 171 Ų | 171 | 150.9 Ų | 150.9 | 90% | 0.895 | 90% | 0.895 | S | S | * | * | trans | 172.7 | 73.5 | 140.9 | -93.8 | 157.5 | 0 | 0 | 0 | 110.3 | ||||
| 404 | V | 30.6 | Very low | 33.5 | Very low | 143 Ų | 143 | 154.1 Ų | 154.1 | 87% | 0.867 | 91% | 0.905 | S | S | * | * | trans | -146.2 | 77.4 | 149 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 405 | L | 33.8 | Very low | 33.5 | Very low | 182 Ų | 182 | 155.9 Ų | 155.9 | 95% | 0.953 | 91% | 0.914 | S | S | * | * | trans | -142.7 | 108.2 | 149 | -81.5 | 179.2 | 0 | 0 | 0 | 106.6 | ||||
| 406 | G | 32.1 | Very low | 33.8 | Very low | 152 Ų | 152 | 158.7 Ų | 158.7 | 100% | 1.567 | 93% | 0.927 | S | S | * | * | trans | 179.9 | 0 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 406 of 406 residues in 221.9 ms
(Link to these results)