| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | S | 61.8 | Low | 85.6 | Confident | 127 Ų | 127 | 74.7 Ų | 74.7 | 89% | 0.888 | 36% | 0.363 | S | S | * | . | 0 | -52.7 | 0 | 57.8 | 0 | 0 | 0 | 0 | 112.1 | Q3 W4 L5 | S1-Q3 PolarHBondContact O-N 3.46Å; S1-W4 PolarHBondContact O-N 2.99Å; S1-L5 WeakPolarHBondContact O-CB 3.07Å; S1-L5 PolarHBondContact O-N 3.15Å | |||
| 2 | R | 73.7 | Confident | 86.5 | Confident | 201 Ų | 201 | 70.1 Ų | 70.1 | 76% | 0.758 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -57.9 | -42.4 | -177.7 | -69 | -173.2 | -179.7 | -177.4 | 0.3 | 114.3 | W4 F6 | R2-W4 PolarHBondContact O-N 3.18Å; R2-F6 HydrophobicContact CB-CD2 4.44Å; R2-F6 HydrophobicContact CG-CD2 4.28Å; R2-F6 PolarHBondContact O-N 3.16Å; R2-F6 VanDerWaalsContact O-N 3.12Å |
| 3 | Q | 79.4 | Confident | 87.3 | Confident | 95 Ų | 95 | 64.7 Ų | 64.7 | 44% | 0.444 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -54.3 | -40.1 | 177.5 | -176 | -178.4 | 5.5 | 0 | 0 | 112.4 | S1 S7 | S1-Q3 PolarHBondContact O-N 3.46Å; Q3-S7 WeakPolarHBondContact O-CA 3.31Å; Q3-S7 WeakPolarHBondContact O-CB 3.23Å; Q3-S7 PolarHBondContact O-OG 2.96Å |
| 4 | W | 85.5 | Confident | 88 | Confident | 98 Ų | 98 | 60.1 Ų | 60.1 | 37% | 0.371 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -91.3 | -52.7 | -176.6 | -58.6 | 110.6 | 0 | 0 | 0 | 112.4 | S1 R2 F6 S7 D12 T15 L16 | S1-W4 PolarHBondContact O-N 2.99Å; R2-W4 PolarHBondContact O-N 3.18Å; W4-F6 PolarHBondContact O-N 2.66Å; W4-S7 PolarHBondContact O-N 3.42Å; W4-D12 HydrophobicContact CE3-CB 4.25Å; W4-D12 HydrophobicContact CZ3-CB 4.02Å; W4-T15 HydrophobicContact CH2-CG2 4.42Å; W4-T15 HydrophobicContact CZ3-CG2 4.34Å; W4-L16 HydrophobicContact CB-CD2 4.45Å; W4-L16 HydrophobicContact CE3-CD1 4.46Å; W4-L16 HydrophobicContact CE3-CD2 3.89Å; W4-L16 HydrophobicContact CE3-CG 4.01Å |
| 5 | L | 85.7 | Confident | 88.6 | Confident | 75 Ų | 75 | 58.4 Ų | 58.4 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.9 | -43.2 | -174.3 | -174.6 | 62.6 | 0 | 0 | 0 | 111.9 | S1 N97 W101 | S1-L5 WeakPolarHBondContact O-CB 3.07Å; S1-L5 PolarHBondContact O-N 3.15Å; L5-N97 PolarHBondContact O-ND2 3.38Å; L5-W101 HydrophobicContact CB-CZ2 4.46Å; L5-W101 HydrophobicContact CD1-CD2 4.32Å; L5-W101 HydrophobicContact CD1-CH2 3.82Å; L5-W101 HydrophobicContact CD1-CZ2 3.59Å; L5-W101 HydrophobicContact CD1-CZ3 4.27Å; L5-W101 PolarHBondContact O-NE1 3.36Å |
| 6 | F | 88 | Confident | 89.2 | Confident | 139 Ų | 139 | 56 Ų | 56 | 61% | 0.61 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.1 | 20.4 | -176.9 | -52.9 | -63.9 | 0 | 0 | 0 | 112.2 | R2 W4 T8 | R2-F6 HydrophobicContact CB-CD2 4.44Å; R2-F6 HydrophobicContact CG-CD2 4.28Å; R2-F6 PolarHBondContact O-N 3.16Å; R2-F6 VanDerWaalsContact O-N 3.12Å; W4-F6 PolarHBondContact O-N 2.66Å; F6-T8 PolarHBondContact O-N 2.86Å |
| 7 | S | 91.1 | Very high | 89.7 | Confident | 10 Ų | 10 | 53.4 Ų | 53.4 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | trans | -59.6 | 132.5 | 180 | -156.8 | 0 | 0 | 0 | 0 | 110.2 | Q3 W4 N9 D12 N97 | Q3-S7 WeakPolarHBondContact O-CA 3.31Å; Q3-S7 WeakPolarHBondContact O-CB 3.23Å; Q3-S7 PolarHBondContact O-OG 2.96Å; W4-S7 PolarHBondContact O-N 3.42Å; S7-N9 WeakPolarHBondContact OG-CB 3.43Å; S7-N9 PolarHBondContact OG-N 2.7Å; S7-N9 VanDerWaalsContact OG-N 3.13Å; S7-D12 WeakPolarHBondContact OG-CB 3.47Å; S7-D12 PolarHBondContact OG-OD2 3.45Å; S7-N97 WeakPolarHBondContact O-CB 3.39Å; S7-N97 PolarHBondContact O-ND2 3.21Å | ||
| 8 | T | 91.8 | Very high | 90.2 | Very high | 64 Ų | 64 | 51.7 Ų | 51.7 | 39% | 0.393 | 25% | 0.253 | S | S | . | . | trans | -100.4 | -3.3 | 162.6 | 50.1 | 0 | 0 | 0 | 0 | 111.7 | F6 P93 R94 | F6-T8 PolarHBondContact O-N 2.86Å; T8-P93 HydrophobicContact CG2-CB 4.17Å; T8-P93 WeakPolarHBondContact O-CB 3.45Å; T8-R94 HydrophobicContact CG2-CG 4.09Å | ||
| 9 | N | 94 | Very high | 90.6 | Very high | 6 Ų | 6 | 54.3 Ų | 54.3 | 3% | 0.032 | 27% | 0.267 | C | S | . | . | trans | -77.2 | 125.5 | -176.2 | -166.3 | -61.7 | 0 | 0 | 0 | 111.2 | S7 K11 D12 I13 E500 | S7-N9 WeakPolarHBondContact OG-CB 3.43Å; S7-N9 PolarHBondContact OG-N 2.7Å; S7-N9 VanDerWaalsContact OG-N 3.13Å; N9-K11 PolarHBondContact O-N 3.5Å; N9-K11 VanDerWaalsContact OD1-CB 3.3Å; N9-K11 WeakPolarHBondContact OD1-CB 3.34Å; N9-K11 PolarHBondContact OD1-N 3.28Å; N9-D12 HydrophobicContact CB-CB 4.18Å; N9-D12 PolarHBondContact O-N 3.03Å; N9-I13 WeakPolarHBondContact O-CG1 3.27Å; N9-I13 PolarHBondContact O-N 2.95Å; N9-E500 WeakPolarHBondContact ND2-CA 3.43Å; N9-E500 WeakPolarHBondContact ND2-CB 3.47Å; N9-E500 PolarHBondContact ND2-O 3.32Å | ||
| 10 | H | 95.7 | Very high | 91 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.3 | -32.7 | 176.6 | 71 | 101.9 | 0 | 0 | 0 | 114.4 | G14 N78 P82 D89 M90 | H10-G14 PolarHBondContact O-N 3.33Å; H10-N78 PolarHBondContact ND1-O 3.19Å; H10-N78 WeakPolarHBondContact O-CB 3.29Å; H10-P82 HydrophobicContact CB-CG 4.16Å; H10-D89 VanDerWaalsContact CB-OD1 3.28Å; H10-D89 WeakPolarHBondContact CB-OD1 3.37Å; H10-D89 IonicContact CD2-OD1 3.39Å; H10-D89 PolarHBondContact CD2-OD1 2.94Å; H10-D89 IonicContact CG-OD1 3.85Å; H10-D89 PolarHBondContact N-OD1 3.09Å; H10-M90 HydrophobicContact CB-CG 3.79Å |
| 11 | K | 95.4 | Very high | 91.4 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 3% | 0.03 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -73.4 | -42.2 | -179.9 | -62.4 | 178.9 | -79.4 | -86.8 | 0 | 112.1 | N9 G14 T15 W79 P498 A499 E500 S502 | N9-K11 PolarHBondContact O-N 3.5Å; N9-K11 VanDerWaalsContact OD1-CB 3.3Å; N9-K11 WeakPolarHBondContact OD1-CB 3.34Å; N9-K11 PolarHBondContact OD1-N 3.28Å; K11-G14 PolarHBondContact O-N 3.22Å; K11-T15 WeakPolarHBondContact O-CB 3.37Å; K11-T15 PolarHBondContact O-N 2.7Å; K11-T15 PolarHBondContact O-OG1 2.97Å; K11-W79 HydrophobicContact CB-CD2 4.13Å; K11-W79 HydrophobicContact CB-CE3 4.01Å; K11-W79 HydrophobicContact CB-CH2 3.78Å; K11-W79 HydrophobicContact CB-CZ2 3.87Å; K11-W79 HydrophobicContact CB-CZ3 3.84Å; K11-W79 HydrophobicContact CD-CE3 4.06Å; K11-W79 HydrophobicContact CD-CH2 4.1Å; K11-W79 HydrophobicContact CD-CZ3 3.57Å; K11-W79 HydrophobicContact CG-CD2 4.19Å; K11-W79 HydrophobicContact CG-CE3 3.67Å; K11-W79 HydrophobicContact CG-CH2 4.1Å; K11-W79 HydrophobicContact CG-CZ3 3.63Å; K11-W79 PolarHBondContact O-NE1 2.89Å; K11-W79 VanDerWaalsContact O-NE1 3.13Å; K11-P498 HydrophobicContact CD-CB 4.14Å; K11-P498 HydrophobicContact CD-CG 4.49Å; K11-A499 WeakPolarHBondContact CE-O 3.09Å; K11-A499 PolarHBondContact NZ-O 3.3Å; K11-E500 WeakPolarHBondContact CE-O 3.32Å; K11-E500 PolarHBondContact NZ-O 3.04Å; K11-S502 PolarHBondContact NZ-OG 3.15Å; K11-S502 VanDerWaalsContact NZ-OG 3.12Å |
| 12 | D | 95.4 | Very high | 93.1 | Very high | 19 Ų | 19 | 45.6 Ų | 45.6 | 10% | 0.102 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63 | -46.2 | 174.3 | -71.9 | -11.6 | 0 | 0 | 0 | 110.3 | W4 S7 N9 G14 T15 L16 | W4-D12 HydrophobicContact CE3-CB 4.25Å; W4-D12 HydrophobicContact CZ3-CB 4.02Å; S7-D12 WeakPolarHBondContact OG-CB 3.47Å; S7-D12 PolarHBondContact OG-OD2 3.45Å; N9-D12 HydrophobicContact CB-CB 4.18Å; N9-D12 PolarHBondContact O-N 3.03Å; D12-G14 PolarHBondContact O-N 3.31Å; D12-T15 WeakPolarHBondContact O-CB 3.46Å; D12-T15 PolarHBondContact O-N 3.17Å; D12-T15 VanDerWaalsContact O-N 3.15Å; D12-L16 WeakPolarHBondContact O-CG 3.44Å; D12-L16 PolarHBondContact O-N 3.1Å |
| 13 | I | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 177.8 | -67 | 166.4 | 0 | 0 | 0 | 110.4 | N9 T15 L16 Y17 N96 N97 F100 | N9-I13 WeakPolarHBondContact O-CG1 3.27Å; N9-I13 PolarHBondContact O-N 2.95Å; I13-T15 VanDerWaalsContact C-N 3.27Å; I13-T15 PolarHBondContact O-N 3.08Å; I13-L16 WeakPolarHBondContact O-CB 3.47Å; I13-L16 PolarHBondContact O-N 3.43Å; I13-L16 VanDerWaalsContact O-N 3.15Å; I13-Y17 HydrophobicContact CG2-CD2 3.81Å; I13-Y17 HydrophobicContact CG2-CE2 3.59Å; I13-Y17 WeakPolarHBondContact O-CD2 3.02Å; I13-Y17 PolarHBondContact O-N 2.72Å; I13-N96 HydrophobicContact CD1-CB 3.9Å; I13-N96 WeakPolarHBondContact CD1-ND2 3.37Å; I13-N97 HydrophobicContact CD1-CB 4.12Å; I13-F100 HydrophobicContact CG2-CB 4.21Å |
| 14 | G | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.4 | -37.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H10 K11 D12 Y17 F18 G75 | H10-G14 PolarHBondContact O-N 3.33Å; K11-G14 PolarHBondContact O-N 3.22Å; D12-G14 PolarHBondContact O-N 3.31Å; G14-Y17 WeakPolarHBondContact O-CB 3.34Å; G14-Y17 PolarHBondContact O-N 3.15Å; G14-F18 WeakPolarHBondContact O-CD2 3.1Å; G14-F18 PolarHBondContact O-N 3.45Å; G14-G75 WeakPolarHBondContact O-CA 3.31Å |
| 15 | T | 97.1 | Very high | 95.8 | Very high | 35 Ų | 35 | 34 Ų | 34 | 22% | 0.215 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.5 | -41.4 | 174.5 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | W4 K11 D12 I13 Y17 F18 I19 W79 | W4-T15 HydrophobicContact CH2-CG2 4.42Å; W4-T15 HydrophobicContact CZ3-CG2 4.34Å; K11-T15 WeakPolarHBondContact O-CB 3.37Å; K11-T15 PolarHBondContact O-N 2.7Å; K11-T15 PolarHBondContact O-OG1 2.97Å; D12-T15 WeakPolarHBondContact O-CB 3.46Å; D12-T15 PolarHBondContact O-N 3.17Å; D12-T15 VanDerWaalsContact O-N 3.15Å; I13-T15 VanDerWaalsContact C-N 3.27Å; I13-T15 PolarHBondContact O-N 3.08Å; T15-Y17 VanDerWaalsContact C-N 3.31Å; T15-Y17 PolarHBondContact O-N 2.89Å; T15-F18 PolarHBondContact O-N 3.29Å; T15-I19 HydrophobicContact CG2-CD1 4.09Å; T15-I19 WeakPolarHBondContact O-CG1 3.29Å; T15-I19 PolarHBondContact O-N 3.22Å; T15-W79 VanDerWaalsContact OG1-CZ2 3.29Å; T15-W79 WeakPolarHBondContact OG1-CZ2 3.03Å; T15-W79 PolarHBondContact OG1-NE1 3.36Å |
| 16 | L | 97.7 | Very high | 96.4 | Very high | 20 Ų | 20 | 33.2 Ų | 33.2 | 11% | 0.105 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.2 | -41.5 | 174.6 | -71.5 | 174.8 | 0 | 0 | 0 | 111.6 | W4 D12 I13 I19 F20 F100 W101 | W4-L16 HydrophobicContact CB-CD2 4.45Å; W4-L16 HydrophobicContact CE3-CD1 4.46Å; W4-L16 HydrophobicContact CE3-CD2 3.89Å; W4-L16 HydrophobicContact CE3-CG 4.01Å; D12-L16 WeakPolarHBondContact O-CG 3.44Å; D12-L16 PolarHBondContact O-N 3.1Å; I13-L16 WeakPolarHBondContact O-CB 3.47Å; I13-L16 PolarHBondContact O-N 3.43Å; I13-L16 VanDerWaalsContact O-N 3.15Å; L16-I19 PolarHBondContact O-N 3.03Å; L16-F20 VanDerWaalsContact O-CB 3.27Å; L16-F20 WeakPolarHBondContact O-CB 3.29Å; L16-F20 PolarHBondContact O-N 3.44Å; L16-F100 VanDerWaalsContact C-CE2 3.44Å; L16-F100 HydrophobicContact CB-CD1 4.13Å; L16-F100 HydrophobicContact CB-CD2 3.97Å; L16-F100 HydrophobicContact CB-CE1 3.8Å; L16-F100 HydrophobicContact CB-CE2 3.63Å; L16-F100 HydrophobicContact CB-CG 4.22Å; L16-F100 HydrophobicContact CB-CZ 3.56Å; L16-F100 HydrophobicContact CD1-CD1 3.93Å; L16-F100 HydrophobicContact CD1-CE1 3.83Å; L16-F100 HydrophobicContact CD1-CZ 4.43Å; L16-F100 HydrophobicContact CD2-CE1 4.42Å; L16-F100 HydrophobicContact CD2-CZ 4.43Å; L16-F100 HydrophobicContact CG-CE1 4.24Å; L16-F100 HydrophobicContact CG-CZ 4.36Å; L16-F100 WeakPolarHBondContact O-CE2 3.12Å; L16-W101 HydrophobicContact CD1-CZ2 4.44Å |
| 17 | Y | 98.6 | Very high | 96.9 | Very high | 12 Ų | 12 | 28 Ų | 28 | 5% | 0.047 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 172.9 | -84.2 | -73.9 | 0 | 0 | 0 | 112.7 | I13 G14 T15 G21 P70 G74 N78 S99 F100 L103 | I13-Y17 HydrophobicContact CG2-CD2 3.81Å; I13-Y17 HydrophobicContact CG2-CE2 3.59Å; I13-Y17 WeakPolarHBondContact O-CD2 3.02Å; I13-Y17 PolarHBondContact O-N 2.72Å; G14-Y17 WeakPolarHBondContact O-CB 3.34Å; G14-Y17 PolarHBondContact O-N 3.15Å; T15-Y17 VanDerWaalsContact C-N 3.31Å; T15-Y17 PolarHBondContact O-N 2.89Å; Y17-G21 PolarHBondContact O-N 3.34Å; Y17-P70 HydrophobicContact CD1-CB 3.97Å; Y17-G74 VanDerWaalsContact CD2-C 3.43Å; Y17-G74 WeakPolarHBondContact CD2-O 3.3Å; Y17-G74 VanDerWaalsContact CG-CA 3.44Å; Y17-N78 WeakPolarHBondContact CE2-ND2 3.25Å; Y17-S99 VanDerWaalsContact OH-C 3.27Å; Y17-S99 PolarHBondContact OH-OG 3.31Å; Y17-F100 AromaticContact CD1-CD2 3.97Å; Y17-F100 HydrophobicContact CD1-CD2 3.97Å; Y17-F100 HydrophobicContact CD2-CB 4.38Å; Y17-F100 HydrophobicContact CD2-CD2 4.06Å; Y17-F100 HydrophobicContact CE1-CB 4.49Å; Y17-F100 HydrophobicContact CE1-CD2 4.12Å; Y17-F100 HydrophobicContact CE2-CB 3.74Å; Y17-F100 HydrophobicContact CE2-CD2 4.16Å; Y17-F100 HydrophobicContact CE2-CG 4.41Å; Y17-F100 AromaticContact CG-CD2 3.95Å; Y17-F100 HydrophobicContact CG-CD2 3.95Å; Y17-F100 WeakPolarHBondContact OH-CA 3.24Å; Y17-F100 PolarHBondContact OH-N 3.38Å; Y17-F100 VanDerWaalsContact OH-N 3.12Å; Y17-L103 HydrophobicContact CD1-CD1 3.97Å; Y17-L103 HydrophobicContact CE1-CD1 3.47Å; Y17-L103 VanDerWaalsContact CE1-CD1 3.47Å |
| 18 | F | 98.4 | Very high | 97.3 | Very high | 22 Ų | 22 | 27.5 Ų | 27.5 | 10% | 0.096 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.7 | -44.9 | 175.2 | -73.4 | -45.8 | 0 | 0 | 0 | 112.4 | G14 T15 A22 I71 F76 W79 F398 | G14-F18 WeakPolarHBondContact O-CD2 3.1Å; G14-F18 PolarHBondContact O-N 3.45Å; T15-F18 PolarHBondContact O-N 3.29Å; F18-A22 WeakPolarHBondContact O-CB 3.38Å; F18-A22 PolarHBondContact O-N 2.84Å; F18-I71 HydrophobicContact CD1-CG2 3.96Å; F18-I71 HydrophobicContact CE1-CG2 3.9Å; F18-F76 HydrophobicContact CE1-CD1 4.37Å; F18-F76 AromaticContact CE1-CD2 3.83Å; F18-F76 HydrophobicContact CE1-CD2 3.83Å; F18-F76 HydrophobicContact CE1-CE1 4.29Å; F18-F76 AromaticContact CE1-CE2 3.75Å; F18-F76 HydrophobicContact CE1-CE2 3.75Å; F18-F76 HydrophobicContact CE1-CG 4.13Å; F18-F76 AromaticContact CE1-CZ 3.98Å; F18-F76 HydrophobicContact CE1-CZ 3.98Å; F18-F76 AromaticContact CZ-CD1 3.85Å; F18-F76 HydrophobicContact CZ-CD1 3.85Å; F18-F76 HydrophobicContact CZ-CD2 4.11Å; F18-F76 AromaticContact CZ-CE1 3.91Å; F18-F76 HydrophobicContact CZ-CE1 3.91Å; F18-F76 HydrophobicContact CZ-CE2 4.18Å; F18-F76 AromaticContact CZ-CG 3.93Å; F18-F76 HydrophobicContact CZ-CG 3.93Å; F18-F76 HydrophobicContact CZ-CZ 4.07Å; F18-W79 AromaticContact CE2-CD1 3.51Å; F18-W79 HydrophobicContact CE2-CG 4.32Å; F18-W79 AromaticContact CE2-NE1 3.95Å; F18-F398 HydrophobicContact CE2-CD2 4Å; F18-F398 AromaticContact CE2-CE2 3.67Å; F18-F398 HydrophobicContact CE2-CE2 3.67Å; F18-F398 HydrophobicContact CE2-CZ 4.09Å; F18-F398 AromaticContact CZ-CE2 3.81Å; F18-F398 HydrophobicContact CZ-CE2 3.81Å; F18-F398 HydrophobicContact CZ-CZ 4.14Å |
| 19 | I | 98 | Very high | 97.6 | Very high | 102 Ų | 102 | 25.3 Ų | 25.3 | 52% | 0.523 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -64.1 | -47.5 | 179.1 | -66 | 167.8 | 0 | 0 | 0 | 110.4 | T15 L16 A22 W23 | T15-I19 HydrophobicContact CG2-CD1 4.09Å; T15-I19 WeakPolarHBondContact O-CG1 3.29Å; T15-I19 PolarHBondContact O-N 3.22Å; L16-I19 PolarHBondContact O-N 3.03Å; I19-A22 PolarHBondContact O-N 2.94Å; I19-W23 PolarHBondContact O-N 2.91Å |
| 20 | F | 98.6 | Very high | 97.8 | Very high | 20 Ų | 20 | 27.9 Ų | 27.9 | 9% | 0.088 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.9 | -50.3 | 178 | 176.2 | -94.1 | 0 | 0 | 0 | 111.5 | L16 A22 W23 A24 F66 P70 F100 L103 P104 L107 | L16-F20 VanDerWaalsContact O-CB 3.27Å; L16-F20 WeakPolarHBondContact O-CB 3.29Å; L16-F20 PolarHBondContact O-N 3.44Å; F20-A22 VanDerWaalsContact C-N 3.33Å; F20-A22 PolarHBondContact O-N 3.45Å; F20-W23 PolarHBondContact O-N 2.73Å; F20-A24 WeakPolarHBondContact O-CB 3.35Å; F20-A24 PolarHBondContact O-N 3.36Å; F20-F66 HydrophobicContact CE1-CB 4.13Å; F20-F66 AromaticContact CE1-CD1 3.9Å; F20-F66 HydrophobicContact CE1-CD1 3.9Å; F20-F66 WeakPolarHBondContact CE1-O 3.31Å; F20-F66 HydrophobicContact CZ-CB 4.4Å; F20-F66 AromaticContact CZ-CD1 3.68Å; F20-F66 HydrophobicContact CZ-CD1 3.68Å; F20-F66 HydrophobicContact CZ-CE1 4.48Å; F20-F66 HydrophobicContact CZ-CG 4.49Å; F20-P70 HydrophobicContact CD1-CB 4.27Å; F20-P70 HydrophobicContact CD1-CG 4.48Å; F20-P70 HydrophobicContact CE1-CG 4.33Å; F20-F100 HydrophobicContact CB-CE2 3.84Å; F20-F100 HydrophobicContact CB-CZ 4.36Å; F20-F100 HydrophobicContact CG-CE2 4.34Å; F20-L103 HydrophobicContact CD1-CB 4.44Å; F20-L103 HydrophobicContact CD1-CD1 4.16Å; F20-L103 HydrophobicContact CE1-CB 3.84Å; F20-L103 HydrophobicContact CE1-CD1 3.96Å; F20-L103 HydrophobicContact CE1-CG 4.47Å; F20-L103 HydrophobicContact CE2-CB 4.22Å; F20-L103 HydrophobicContact CZ-CB 3.7Å; F20-P104 HydrophobicContact CD2-CG 4.28Å; F20-P104 HydrophobicContact CE2-CB 4.45Å; F20-P104 HydrophobicContact CE2-CG 4.21Å; F20-L107 HydrophobicContact CE2-CB 4.25Å; F20-L107 HydrophobicContact CE2-CD2 3.71Å; F20-L107 HydrophobicContact CZ-CB 3.96Å; F20-L107 HydrophobicContact CZ-CD2 3.62Å; F20-L107 HydrophobicContact CZ-CG 4.45Å |
| 21 | G | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.5 | -36.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y17 G25 F66 | Y17-G21 PolarHBondContact O-N 3.34Å; G21-G25 PolarHBondContact O-N 2.82Å; G21-F66 WeakPolarHBondContact CA-O 3.5Å |
| 22 | A | 98.3 | Very high | 98 | Very high | 32 Ų | 32 | 30 Ų | 30 | 26% | 0.264 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.5 | -43.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F18 I19 F20 G25 M26 F467 | F18-A22 WeakPolarHBondContact O-CB 3.38Å; F18-A22 PolarHBondContact O-N 2.84Å; I19-A22 PolarHBondContact O-N 2.94Å; F20-A22 VanDerWaalsContact C-N 3.33Å; F20-A22 PolarHBondContact O-N 3.45Å; A22-G25 PolarHBondContact O-N 2.92Å; A22-M26 WeakPolarHBondContact O-CG 3.34Å; A22-M26 PolarHBondContact O-N 3.05Å; A22-M26 VanDerWaalsContact O-N 3.07Å; A22-F467 HydrophobicContact CB-CE1 4.34Å; A22-F467 HydrophobicContact CB-CZ 4.18Å |
| 23 | W | 98.6 | Very high | 98.2 | Very high | 145 Ų | 145 | 31.2 Ų | 31.2 | 55% | 0.549 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.6 | -49.9 | 176.4 | -174.7 | 89 | 0 | 0 | 0 | 111.7 | I19 F20 G25 M26 V27 L107 L111 | I19-W23 PolarHBondContact O-N 2.91Å; F20-W23 PolarHBondContact O-N 2.73Å; W23-G25 VanDerWaalsContact C-N 3.29Å; W23-G25 PolarHBondContact O-N 3.38Å; W23-M26 WeakPolarHBondContact O-CB 3.31Å; W23-M26 PolarHBondContact O-N 3.18Å; W23-M26 VanDerWaalsContact O-N 3.1Å; W23-V27 HydrophobicContact CD2-CG2 4.28Å; W23-V27 HydrophobicContact CE3-CG2 4.03Å; W23-V27 HydrophobicContact CH2-CG2 3.79Å; W23-V27 HydrophobicContact CZ2-CG2 4.05Å; W23-V27 HydrophobicContact CZ3-CG2 3.77Å; W23-V27 PolarHBondContact O-N 3.01Å; W23-V27 VanDerWaalsContact O-N 3.13Å; W23-L107 HydrophobicContact CE3-CD2 3.92Å; W23-L107 HydrophobicContact CZ3-CD2 3.56Å; W23-L107 HydrophobicContact CZ3-CG 4.35Å; W23-L111 HydrophobicContact CH2-CD1 4.05Å; W23-L111 HydrophobicContact CZ3-CD1 4.36Å |
| 24 | A | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.4 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F20 M26 V27 G28 I62 F66 L107 | F20-A24 WeakPolarHBondContact O-CB 3.35Å; F20-A24 PolarHBondContact O-N 3.36Å; A24-M26 VanDerWaalsContact C-N 3.3Å; A24-M26 PolarHBondContact O-N 3.31Å; A24-V27 WeakPolarHBondContact O-CB 3.23Å; A24-V27 PolarHBondContact O-N 3.34Å; A24-V27 VanDerWaalsContact O-N 3.1Å; A24-G28 PolarHBondContact O-N 3.07Å; A24-I62 HydrophobicContact CB-CG2 4.22Å; A24-I62 WeakPolarHBondContact O-CG2 3.4Å; A24-F66 HydrophobicContact CB-CB 3.86Å; A24-F66 VanDerWaalsContact CB-O 3.27Å; A24-F66 WeakPolarHBondContact CB-O 3.22Å; A24-L107 HydrophobicContact CB-CD2 4.02Å |
| 25 | G | 98.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 6% | 0.062 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.4 | -36.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G21 A22 W23 G28 T29 | G21-G25 PolarHBondContact O-N 2.82Å; A22-G25 PolarHBondContact O-N 2.92Å; W23-G25 VanDerWaalsContact C-N 3.29Å; W23-G25 PolarHBondContact O-N 3.38Å; G25-G28 PolarHBondContact O-N 3.3Å; G25-T29 VanDerWaalsContact O-CB 3.31Å; G25-T29 WeakPolarHBondContact O-CB 3.49Å; G25-T29 PolarHBondContact O-N 3.22Å; G25-T29 PolarHBondContact O-OG1 3.44Å |
| 26 | M | 98.4 | Very high | 98.3 | Very high | 58 Ų | 58 | 35 Ų | 35 | 29% | 0.286 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -68 | -38.2 | 173.5 | -71.9 | -56.5 | -64.9 | 0 | 0 | 112.3 | A22 W23 A24 T29 S30 I463 L464 F467 | A22-M26 WeakPolarHBondContact O-CG 3.34Å; A22-M26 PolarHBondContact O-N 3.05Å; A22-M26 VanDerWaalsContact O-N 3.07Å; W23-M26 WeakPolarHBondContact O-CB 3.31Å; W23-M26 PolarHBondContact O-N 3.18Å; W23-M26 VanDerWaalsContact O-N 3.1Å; A24-M26 VanDerWaalsContact C-N 3.3Å; A24-M26 PolarHBondContact O-N 3.31Å; M26-T29 PolarHBondContact O-N 3.49Å; M26-S30 PolarHBondContact O-N 2.6Å; M26-I463 HydrophobicContact SD-CG2 3.65Å; M26-L464 HydrophobicContact CE-CD2 4.1Å; M26-F467 HydrophobicContact CG-CE2 3.83Å; M26-F467 HydrophobicContact CG-CZ 3.97Å; M26-F467 HydrophobicContact SD-CD2 4.06Å; M26-F467 HydrophobicContact SD-CE2 3.39Å; M26-F467 WeakPolarHBondContact SD-CE2 3.33Å; M26-F467 HydrophobicContact SD-CZ 4.15Å |
| 27 | V | 98.5 | Very high | 98.2 | Very high | 29 Ų | 29 | 35.9 Ų | 35.9 | 18% | 0.176 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.9 | -50 | 172.4 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | W23 A24 T29 S30 L31 I62 L111 | W23-V27 HydrophobicContact CD2-CG2 4.28Å; W23-V27 HydrophobicContact CE3-CG2 4.03Å; W23-V27 HydrophobicContact CH2-CG2 3.79Å; W23-V27 HydrophobicContact CZ2-CG2 4.05Å; W23-V27 HydrophobicContact CZ3-CG2 3.77Å; W23-V27 PolarHBondContact O-N 3.01Å; W23-V27 VanDerWaalsContact O-N 3.13Å; A24-V27 WeakPolarHBondContact O-CB 3.23Å; A24-V27 PolarHBondContact O-N 3.34Å; A24-V27 VanDerWaalsContact O-N 3.1Å; V27-T29 VanDerWaalsContact C-N 3.29Å; V27-T29 PolarHBondContact O-N 3.34Å; V27-S30 PolarHBondContact O-N 3.27Å; V27-S30 VanDerWaalsContact O-N 3.11Å; V27-S30 PolarHBondContact O-OG 2.96Å; V27-L31 PolarHBondContact O-N 3.35Å; V27-L31 VanDerWaalsContact O-N 3.09Å; V27-I62 HydrophobicContact CB-CD1 4.42Å; V27-I62 HydrophobicContact CG1-CD1 3.69Å; V27-L111 HydrophobicContact CG1-CD2 4.29Å |
| 28 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.8 | -39.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A24 G25 L31 S32 H59 | A24-G28 PolarHBondContact O-N 3.07Å; G25-G28 PolarHBondContact O-N 3.3Å; G28-L31 PolarHBondContact O-N 2.79Å; G28-S32 PolarHBondContact O-N 3.32Å; G28-H59 PolarHBondContact O-ND1 2.92Å |
| 29 | T | 98.1 | Very high | 98.1 | Very high | 19 Ų | 19 | 34.4 Ų | 34.4 | 12% | 0.117 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -65.2 | -42.7 | 174.9 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | G25 M26 V27 L31 S32 I33 L460 I463 | G25-T29 VanDerWaalsContact O-CB 3.31Å; G25-T29 WeakPolarHBondContact O-CB 3.49Å; G25-T29 PolarHBondContact O-N 3.22Å; G25-T29 PolarHBondContact O-OG1 3.44Å; M26-T29 PolarHBondContact O-N 3.49Å; V27-T29 VanDerWaalsContact C-N 3.29Å; V27-T29 PolarHBondContact O-N 3.34Å; T29-L31 VanDerWaalsContact C-N 3.33Å; T29-L31 PolarHBondContact O-N 3.42Å; T29-S32 VanDerWaalsContact O-CB 3.31Å; T29-S32 WeakPolarHBondContact O-CB 3.4Å; T29-S32 PolarHBondContact O-N 3.23Å; T29-S32 VanDerWaalsContact O-N 3.12Å; T29-I33 WeakPolarHBondContact O-CG1 3.49Å; T29-I33 PolarHBondContact O-N 2.72Å; T29-L460 HydrophobicContact CG2-CD1 3.92Å; T29-I463 HydrophobicContact CG2-CD1 3.8Å |
| 30 | S | 98.4 | Very high | 98 | Very high | 60 Ų | 60 | 30.3 Ų | 30.3 | 42% | 0.42 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 177.3 | 71.3 | 0 | 0 | 0 | 0 | 112.2 | M26 V27 S32 I33 L34 | M26-S30 PolarHBondContact O-N 2.6Å; V27-S30 PolarHBondContact O-N 3.27Å; V27-S30 VanDerWaalsContact O-N 3.11Å; V27-S30 PolarHBondContact O-OG 2.96Å; S30-S32 VanDerWaalsContact C-N 3.35Å; S30-S32 PolarHBondContact O-N 2.91Å; S30-I33 PolarHBondContact O-N 3.17Å; S30-L34 PolarHBondContact O-N 3.26Å; S30-L34 VanDerWaalsContact O-N 3.13Å |
| 31 | L | 98.3 | Very high | 97.7 | Very high | 26 Ų | 26 | 33.7 Ų | 33.7 | 14% | 0.136 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.2 | -39.1 | 174 | -62.5 | 173.2 | 0 | 0 | 0 | 111.7 | V27 G28 T29 I33 L34 I35 I55 A58 H59 I62 | V27-L31 PolarHBondContact O-N 3.35Å; V27-L31 VanDerWaalsContact O-N 3.09Å; G28-L31 PolarHBondContact O-N 2.79Å; T29-L31 VanDerWaalsContact C-N 3.33Å; T29-L31 PolarHBondContact O-N 3.42Å; L31-I33 VanDerWaalsContact C-N 3.31Å; L31-I33 PolarHBondContact O-N 3.4Å; L31-L34 HydrophobicContact CD2-CD1 4.47Å; L31-L34 PolarHBondContact O-N 3.41Å; L31-I35 WeakPolarHBondContact O-CG1 3.38Å; L31-I35 PolarHBondContact O-N 3.07Å; L31-I55 HydrophobicContact CB-CG2 3.96Å; L31-I55 HydrophobicContact CD2-CB 4.5Å; L31-I55 HydrophobicContact CD2-CG1 4.35Å; L31-I55 HydrophobicContact CD2-CG2 3.95Å; L31-A58 HydrophobicContact CD1-CB 3.79Å; L31-H59 HydrophobicContact CB-CB 3.91Å; L31-H59 HydrophobicContact CD1-CB 4.32Å; L31-I62 HydrophobicContact CD1-CD1 3.85Å |
| 32 | S | 98.1 | Very high | 97.5 | Very high | 24 Ų | 24 | 36 Ų | 36 | 17% | 0.168 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 174.8 | -167.8 | 0 | 0 | 0 | 0 | 112.3 | G28 T29 S30 I35 R36 | G28-S32 PolarHBondContact O-N 3.32Å; T29-S32 VanDerWaalsContact O-CB 3.31Å; T29-S32 WeakPolarHBondContact O-CB 3.4Å; T29-S32 PolarHBondContact O-N 3.23Å; T29-S32 VanDerWaalsContact O-N 3.12Å; S30-S32 VanDerWaalsContact C-N 3.35Å; S30-S32 PolarHBondContact O-N 2.91Å; S32-I35 PolarHBondContact O-N 2.86Å; S32-R36 WeakPolarHBondContact O-CG 3.41Å; S32-R36 PolarHBondContact O-N 3.1Å |
| 33 | I | 98.1 | Very high | 97.2 | Very high | 45 Ų | 45 | 35.8 Ų | 35.8 | 23% | 0.231 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.7 | -39.5 | 176.7 | -63.4 | -64.9 | 0 | 0 | 0 | 110.9 | T29 S30 L31 R36 A37 S456 L460 | T29-I33 WeakPolarHBondContact O-CG1 3.49Å; T29-I33 PolarHBondContact O-N 2.72Å; S30-I33 PolarHBondContact O-N 3.17Å; L31-I33 VanDerWaalsContact C-N 3.31Å; L31-I33 PolarHBondContact O-N 3.4Å; I33-R36 PolarHBondContact O-N 2.94Å; I33-A37 WeakPolarHBondContact O-CB 3.33Å; I33-A37 PolarHBondContact O-N 3.27Å; I33-S456 WeakPolarHBondContact CD1-OG 3.46Å; I33-L460 HydrophobicContact CD1-CB 3.91Å; I33-L460 HydrophobicContact CD1-CD2 4.06Å; I33-L460 HydrophobicContact CD1-CG 4.43Å; I33-L460 HydrophobicContact CG1-CD1 4.39Å; I33-L460 HydrophobicContact CG1-CD2 4.1Å |
| 34 | L | 97.7 | Very high | 96.8 | Very high | 85 Ų | 85 | 31.7 Ų | 31.7 | 45% | 0.445 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.8 | -43.4 | 174.2 | -66 | 175.6 | 0 | 0 | 0 | 111.8 | S30 L31 R36 A37 E38 I55 | S30-L34 PolarHBondContact O-N 3.26Å; S30-L34 VanDerWaalsContact O-N 3.13Å; L31-L34 HydrophobicContact CD2-CD1 4.47Å; L31-L34 PolarHBondContact O-N 3.41Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 2.79Å; L34-A37 PolarHBondContact O-N 3.04Å; L34-E38 PolarHBondContact O-N 3.13Å; L34-I55 HydrophobicContact CB-CD1 4.4Å; L34-I55 HydrophobicContact CB-CG2 4.29Å; L34-I55 HydrophobicContact CD1-CD1 4.18Å |
| 35 | I | 98.1 | Very high | 96.6 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 10% | 0.097 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.8 | -43.5 | 175.3 | -64.2 | 161.4 | 0 | 0 | 0 | 110.8 | L31 S32 E38 L39 Y52 I55 V56 H59 | L31-I35 WeakPolarHBondContact O-CG1 3.38Å; L31-I35 PolarHBondContact O-N 3.07Å; S32-I35 PolarHBondContact O-N 2.86Å; I35-E38 PolarHBondContact O-N 3.44Å; I35-L39 HydrophobicContact CG2-CD1 3.92Å; I35-L39 WeakPolarHBondContact O-CB 3.32Å; I35-L39 WeakPolarHBondContact O-CG 3.43Å; I35-L39 PolarHBondContact O-N 3Å; I35-Y52 HydrophobicContact CG2-CE2 4.02Å; I35-I55 HydrophobicContact CD1-CG2 4.08Å; I35-I55 HydrophobicContact CG1-CG2 3.66Å; I35-V56 HydrophobicContact CD1-CB 4.38Å; I35-V56 HydrophobicContact CD1-CG2 3.78Å; I35-V56 HydrophobicContact CG1-CG2 3.85Å; I35-V56 HydrophobicContact CG2-CG2 4.48Å; I35-H59 HydrophobicContact CD1-CB 4Å |
| 36 | R | 97.5 | Very high | 96.4 | Very high | 10 Ų | 10 | 39 Ų | 39 | 4% | 0.038 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -74.3 | -25.6 | 179.2 | -68.4 | -49.2 | -48 | 166.3 | 8 | 113.8 | S32 I33 L34 G40 N449 S452 T453 S456 | S32-R36 WeakPolarHBondContact O-CG 3.41Å; S32-R36 PolarHBondContact O-N 3.1Å; I33-R36 PolarHBondContact O-N 2.94Å; L34-R36 VanDerWaalsContact C-N 3.32Å; L34-R36 PolarHBondContact O-N 2.79Å; R36-G40 WeakPolarHBondContact O-CA 3.49Å; R36-G40 PolarHBondContact O-N 2.9Å; R36-N449 PolarHBondContact NH1-OD1 2.89Å; R36-N449 PolarHBondContact NH2-O 3.46Å; R36-N449 PolarHBondContact NH2-OD1 3.45Å; R36-N449 VanDerWaalsContact NH2-OD1 3.07Å; R36-S452 VanDerWaalsContact CZ-OG 3.29Å; R36-T453 HydrophobicContact CB-CG2 4.38Å; R36-T453 PolarHBondContact NE-OG1 3.15Å; R36-T453 PolarHBondContact NH2-OG1 3.43Å; R36-T453 WeakPolarHBondContact O-CG2 3.39Å; R36-T453 PolarHBondContact O-OG1 3.33Å; R36-S456 WeakPolarHBondContact CG-OG 3.48Å |
| 37 | A | 96.7 | Very high | 96.3 | Very high | 40 Ų | 40 | 39.2 Ų | 39.2 | 33% | 0.331 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -69.2 | -46.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I33 L34 L39 G40 L45 | I33-A37 WeakPolarHBondContact O-CB 3.33Å; I33-A37 PolarHBondContact O-N 3.27Å; L34-A37 PolarHBondContact O-N 3.04Å; A37-L39 VanDerWaalsContact C-N 3.33Å; A37-L39 PolarHBondContact O-N 3.24Å; A37-G40 PolarHBondContact O-N 3.16Å; A37-G40 VanDerWaalsContact O-N 3.15Å; A37-L45 HydrophobicContact CB-CD2 4.05Å |
| 38 | E | 97.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.009 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56 | -49.4 | 173.8 | -171.6 | 64.6 | -161 | 0 | 0 | 110.9 | L34 I35 G40 A44 L45 I46 Y52 | L34-E38 PolarHBondContact O-N 3.13Å; I35-E38 PolarHBondContact O-N 3.44Å; E38-G40 PolarHBondContact O-N 3.41Å; E38-A44 VanDerWaalsContact OE1-CA 3.26Å; E38-A44 WeakPolarHBondContact OE1-CA 3.3Å; E38-L45 PolarHBondContact OE1-N 3.41Å; E38-L45 VanDerWaalsContact OE2-CB 3.32Å; E38-L45 WeakPolarHBondContact OE2-CB 3.4Å; E38-L45 PolarHBondContact OE2-N 2.89Å; E38-I46 HydrophobicContact CB-CD1 4.23Å; E38-I46 HydrophobicContact CG-CD1 4.29Å; E38-I46 WeakPolarHBondContact OE2-CB 3.48Å; E38-I46 WeakPolarHBondContact OE2-CD1 3.35Å; E38-I46 WeakPolarHBondContact OE2-CG1 3.41Å; E38-I46 PolarHBondContact OE2-N 3.39Å; E38-Y52 HydrophobicContact CB-CD2 4.14Å; E38-Y52 HydrophobicContact CB-CE2 4.27Å; E38-Y52 HydrophobicContact CG-CD2 3.82Å; E38-Y52 HydrophobicContact CG-CE2 4.14Å |
| 39 | L | 97 | Very high | 95.9 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 8.1 | -177.8 | -60.1 | 168.9 | 0 | 0 | 0 | 113.7 | I35 A37 H41 Y52 Y369 S439 Y441 N449 | I35-L39 HydrophobicContact CG2-CD1 3.92Å; I35-L39 WeakPolarHBondContact O-CB 3.32Å; I35-L39 WeakPolarHBondContact O-CG 3.43Å; I35-L39 PolarHBondContact O-N 3Å; A37-L39 VanDerWaalsContact C-N 3.33Å; A37-L39 PolarHBondContact O-N 3.24Å; L39-H41 VanDerWaalsContact C-N 3.28Å; L39-H41 PolarHBondContact O-N 2.86Å; L39-Y52 HydrophobicContact CG-CE2 4.42Å; L39-Y369 WeakPolarHBondContact CD1-OH 3.33Å; L39-S439 WeakPolarHBondContact CD2-O 3.43Å; L39-Y441 HydrophobicContact CB-CE1 4.04Å; L39-Y441 HydrophobicContact CD2-CD1 3.8Å; L39-Y441 HydrophobicContact CD2-CE1 3.98Å; L39-Y441 VanDerWaalsContact O-CE1 3.28Å; L39-Y441 WeakPolarHBondContact O-CE1 3.31Å; L39-Y441 PolarHBondContact O-OH 2.87Å; L39-N449 WeakPolarHBondContact O-CB 3.48Å |
| 40 | G | 95.4 | Very high | 95.9 | Very high | 16 Ų | 16 | 47 Ų | 47 | 17% | 0.165 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -26.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R36 A37 E38 I450 | R36-G40 WeakPolarHBondContact O-CA 3.49Å; R36-G40 PolarHBondContact O-N 2.9Å; A37-G40 PolarHBondContact O-N 3.16Å; A37-G40 VanDerWaalsContact O-N 3.15Å; E38-G40 PolarHBondContact O-N 3.41Å; G40-I450 WeakPolarHBondContact O-CG1 3.46Å |
| 41 | H | 93.1 | Very high | 95.8 | Very high | 90 Ų | 90 | 48.1 Ų | 48.1 | 42% | 0.417 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -145.8 | 159.1 | 173.3 | 57.8 | 62 | 0 | 0 | 0 | 109.1 | L39 Y441 | L39-H41 VanDerWaalsContact C-N 3.28Å; L39-H41 PolarHBondContact O-N 2.86Å; H41-Y441 WeakPolarHBondContact CA-OH 3.42Å |
| 42 | P | 94.2 | Very high | 95.7 | Very high | 50 Ų | 50 | 47.1 Ų | 47.1 | 33% | 0.325 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -59.4 | 150.9 | 167.4 | -22 | 32.7 | 0 | 0 | 0 | 112.1 | Y441 T446 | P42-Y441 HydrophobicContact CG-CD2 4.37Å; P42-Y441 HydrophobicContact CG-CE2 3.8Å; P42-T446 HydrophobicContact CG-CG2 4.5Å; P42-T446 VanDerWaalsContact CG-OG1 3.24Å; P42-T446 WeakPolarHBondContact CG-OG1 3.18Å |
| 43 | G | 92.2 | Very high | 95.7 | Very high | 27 Ų | 27 | 47.9 Ų | 47.9 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 94.3 | 158.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D440 | G43-D440 WeakPolarHBondContact CA-OD2 3.4Å; G43-D440 VanDerWaalsContact N-CG 3.33Å; G43-D440 PolarHBondContact N-OD1 3.22Å; G43-D440 PolarHBondContact N-OD2 2.79Å |
| 44 | A | 89.5 | Confident | 95.7 | Very high | 59 Ų | 59 | 46.4 Ų | 46.4 | 49% | 0.488 | 28% | 0.281 | S | S | . | . | trans | -83.5 | 117.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E38 | E38-A44 VanDerWaalsContact OE1-CA 3.26Å; E38-A44 WeakPolarHBondContact OE1-CA 3.3Å | ||
| 45 | L | 94.3 | Very high | 95.7 | Very high | 102 Ų | 102 | 43.3 Ų | 43.3 | 53% | 0.534 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -87.1 | -44.5 | 175.1 | 173.6 | 71.3 | 0 | 0 | 0 | 111.1 | A37 E38 G47 | A37-L45 HydrophobicContact CB-CD2 4.05Å; E38-L45 PolarHBondContact OE1-N 3.41Å; E38-L45 VanDerWaalsContact OE2-CB 3.32Å; E38-L45 WeakPolarHBondContact OE2-CB 3.4Å; E38-L45 PolarHBondContact OE2-N 2.89Å; L45-G47 VanDerWaalsContact C-N 3.34Å |
| 46 | I | 95.6 | Very high | 95.7 | Very high | 58 Ų | 58 | 44.3 Ų | 44.3 | 30% | 0.297 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -69.5 | -35.4 | 175.6 | -70.2 | 161.4 | 0 | 0 | 0 | 110.5 | E38 D48 I51 I55 | E38-I46 HydrophobicContact CB-CD1 4.23Å; E38-I46 HydrophobicContact CG-CD1 4.29Å; E38-I46 WeakPolarHBondContact OE2-CB 3.48Å; E38-I46 WeakPolarHBondContact OE2-CD1 3.35Å; E38-I46 WeakPolarHBondContact OE2-CG1 3.41Å; E38-I46 PolarHBondContact OE2-N 3.39Å; I46-D48 VanDerWaalsContact C-N 3.27Å; I46-D48 HydrophobicContact CG2-CB 4.36Å; I46-D48 PolarHBondContact O-N 3.02Å; I46-I51 HydrophobicContact CG2-CB 3.91Å; I46-I51 HydrophobicContact CG2-CG2 3.8Å; I46-I55 HydrophobicContact CD1-CD1 4.02Å |
| 47 | G | 95 | Very high | 95.8 | Very high | 62 Ų | 62 | 44 Ų | 44 | 64% | 0.639 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 77 | 7.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L45 | L45-G47 VanDerWaalsContact C-N 3.34Š|
| 48 | D | 95.1 | Very high | 95.9 | Very high | 74 Ų | 74 | 42.5 Ų | 42.5 | 40% | 0.396 | 26% | 0.259 | S | S | . | . | trans | -146.3 | 112.3 | 176.7 | -173.1 | -30 | 0 | 0 | 0 | 110.6 | I46 Q50 I51 Y52 | I46-D48 VanDerWaalsContact C-N 3.27Å; I46-D48 HydrophobicContact CG2-CB 4.36Å; I46-D48 PolarHBondContact O-N 3.02Å; D48-Q50 VanDerWaalsContact C-N 3.3Å; D48-Q50 PolarHBondContact O-N 3.38Å; D48-Q50 WeakPolarHBondContact OD1-CA 3.34Å; D48-Q50 WeakPolarHBondContact OD1-CB 3.35Å; D48-Q50 PolarHBondContact OD1-N 3.07Å; D48-I51 HydrophobicContact CB-CB 4.16Å; D48-I51 HydrophobicContact CB-CD1 3.83Å; D48-I51 HydrophobicContact CB-CG1 3.92Å; D48-I51 PolarHBondContact O-N 3.36Å; D48-I51 PolarHBondContact OD1-N 2.99Å; D48-Y52 PolarHBondContact O-N 3.2Å | ||
| 49 | D | 95.2 | Very high | 95.9 | Very high | 91 Ų | 91 | 43.5 Ų | 43.5 | 49% | 0.487 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.6 | -29.5 | -178.3 | -63.1 | -20.4 | 0 | 0 | 0 | 112.9 | Y52 N53 S439 | D49-Y52 WeakPolarHBondContact O-CB 3.46Å; D49-Y52 PolarHBondContact O-N 3.28Å; D49-N53 VanDerWaalsContact O-CG 3.29Å; D49-N53 PolarHBondContact O-N 3.29Å; D49-N53 PolarHBondContact O-ND2 2.87Å; D49-S439 WeakPolarHBondContact OD1-CB 3.27Å; D49-S439 PolarHBondContact OD1-OG 3Å |
| 50 | Q | 96.2 | Very high | 96 | Very high | 47 Ų | 47 | 44.2 Ų | 44.2 | 22% | 0.22 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.1 | -40.9 | 177.2 | 175.1 | 61.7 | 11 | 0 | 0 | 110.5 | D48 Y52 N53 V54 N118 G119 H136 | D48-Q50 VanDerWaalsContact C-N 3.3Å; D48-Q50 PolarHBondContact O-N 3.38Å; D48-Q50 WeakPolarHBondContact OD1-CA 3.34Å; D48-Q50 WeakPolarHBondContact OD1-CB 3.35Å; D48-Q50 PolarHBondContact OD1-N 3.07Å; Q50-Y52 VanDerWaalsContact C-N 3.29Å; Q50-Y52 PolarHBondContact O-N 3.4Å; Q50-N53 PolarHBondContact O-N 2.99Å; Q50-N53 VanDerWaalsContact O-N 3.14Å; Q50-V54 HydrophobicContact CG-CG2 4.48Å; Q50-V54 VanDerWaalsContact O-CG2 3.28Å; Q50-V54 WeakPolarHBondContact O-CG2 3.33Å; Q50-V54 PolarHBondContact O-N 3.45Å; Q50-N118 HydrophobicContact CG-CB 4.14Å; Q50-N118 WeakPolarHBondContact CG-O 3.2Å; Q50-N118 PolarHBondContact NE2-O 2.87Å; Q50-G119 PolarHBondContact NE2-O 2.88Å; Q50-H136 PolarHBondContact NE2-NE2 3.47Å; Q50-H136 VanDerWaalsContact NE2-NE2 3.16Å |
| 51 | I | 97 | Very high | 96.1 | Very high | 82 Ų | 82 | 43.6 Ų | 43.6 | 42% | 0.421 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 173.7 | -65 | 179.6 | 0 | 0 | 0 | 109.9 | I46 D48 N53 V54 I55 | I46-I51 HydrophobicContact CG2-CB 3.91Å; I46-I51 HydrophobicContact CG2-CG2 3.8Å; D48-I51 HydrophobicContact CB-CB 4.16Å; D48-I51 HydrophobicContact CB-CD1 3.83Å; D48-I51 HydrophobicContact CB-CG1 3.92Å; D48-I51 PolarHBondContact O-N 3.36Å; D48-I51 PolarHBondContact OD1-N 2.99Å; I51-N53 VanDerWaalsContact C-N 3.34Å; I51-N53 PolarHBondContact O-N 3.47Å; I51-V54 PolarHBondContact O-N 2.69Å; I51-I55 HydrophobicContact CG2-CD1 3.9Å; I51-I55 HydrophobicContact CG2-CG1 4.45Å; I51-I55 VanDerWaalsContact O-CG1 3.28Å; I51-I55 WeakPolarHBondContact O-CG1 3.48Å; I51-I55 PolarHBondContact O-N 3.37Å |
| 52 | Y | 97.3 | Very high | 96.4 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 2% | 0.02 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.8 | -46.9 | 173.6 | 172.3 | -95.7 | 0 | 0 | 0 | 112 | I35 E38 L39 D48 D49 Q50 V54 I55 V56 Y438 | I35-Y52 HydrophobicContact CG2-CE2 4.02Å; E38-Y52 HydrophobicContact CB-CD2 4.14Å; E38-Y52 HydrophobicContact CB-CE2 4.27Å; E38-Y52 HydrophobicContact CG-CD2 3.82Å; E38-Y52 HydrophobicContact CG-CE2 4.14Å; L39-Y52 HydrophobicContact CG-CE2 4.42Å; D48-Y52 PolarHBondContact O-N 3.2Å; D49-Y52 WeakPolarHBondContact O-CB 3.46Å; D49-Y52 PolarHBondContact O-N 3.28Å; Q50-Y52 VanDerWaalsContact C-N 3.29Å; Q50-Y52 PolarHBondContact O-N 3.4Å; Y52-V54 VanDerWaalsContact C-N 3.34Å; Y52-V54 PolarHBondContact O-N 3.49Å; Y52-I55 PolarHBondContact O-N 2.94Å; Y52-V56 HydrophobicContact CD1-CG2 4.23Å; Y52-V56 HydrophobicContact CD2-CG2 4.43Å; Y52-V56 HydrophobicContact CE1-CG2 3.83Å; Y52-V56 HydrophobicContact CE2-CG2 4.05Å; Y52-V56 WeakPolarHBondContact O-CG2 3.37Å; Y52-V56 PolarHBondContact O-N 3.35Å; Y52-Y438 VanDerWaalsContact CE1-O 3.29Å; Y52-Y438 WeakPolarHBondContact CE1-O 3.38Å; Y52-Y438 VanDerWaalsContact CZ-O 3.32Å; Y52-Y438 PolarHBondContact OH-O 3.24Å |
| 53 | N | 97.3 | Very high | 96.6 | Very high | 41 Ų | 41 | 38.7 Ų | 38.7 | 22% | 0.219 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.7 | -37.3 | 178.4 | -72.2 | -33 | 0 | 0 | 0 | 113 | D49 Q50 I51 V56 T57 | D49-N53 VanDerWaalsContact O-CG 3.29Å; D49-N53 PolarHBondContact O-N 3.29Å; D49-N53 PolarHBondContact O-ND2 2.87Å; Q50-N53 PolarHBondContact O-N 2.99Å; Q50-N53 VanDerWaalsContact O-N 3.14Å; I51-N53 VanDerWaalsContact C-N 3.34Å; I51-N53 PolarHBondContact O-N 3.47Å; N53-V56 PolarHBondContact O-N 3.16Å; N53-T57 VanDerWaalsContact O-CB 3.29Å; N53-T57 WeakPolarHBondContact O-CB 3.27Å; N53-T57 PolarHBondContact O-N 3.18Å; N53-T57 PolarHBondContact O-OG1 3Å |
| 54 | V | 98.2 | Very high | 96.9 | Very high | 13 Ų | 13 | 37.6 Ų | 37.6 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 174.2 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | Q50 I51 Y52 T57 A58 N118 | Q50-V54 HydrophobicContact CG-CG2 4.48Å; Q50-V54 VanDerWaalsContact O-CG2 3.28Å; Q50-V54 WeakPolarHBondContact O-CG2 3.33Å; Q50-V54 PolarHBondContact O-N 3.45Å; I51-V54 PolarHBondContact O-N 2.69Å; Y52-V54 VanDerWaalsContact C-N 3.34Å; Y52-V54 PolarHBondContact O-N 3.49Å; V54-T57 PolarHBondContact O-N 3.38Å; V54-A58 WeakPolarHBondContact O-CB 3.41Å; V54-A58 PolarHBondContact O-N 2.93Å; V54-N118 WeakPolarHBondContact CG2-O 3.35Å |
| 55 | I | 98.2 | Very high | 97.3 | Very high | 20 Ų | 20 | 35.3 Ų | 35.3 | 10% | 0.103 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62 | -47.5 | 176.9 | -68.8 | 168.5 | 0 | 0 | 0 | 110.6 | L31 L34 I35 I46 I51 Y52 T57 A58 H59 | L31-I55 HydrophobicContact CB-CG2 3.96Å; L31-I55 HydrophobicContact CD2-CB 4.5Å; L31-I55 HydrophobicContact CD2-CG1 4.35Å; L31-I55 HydrophobicContact CD2-CG2 3.95Å; L34-I55 HydrophobicContact CB-CD1 4.4Å; L34-I55 HydrophobicContact CB-CG2 4.29Å; L34-I55 HydrophobicContact CD1-CD1 4.18Å; I35-I55 HydrophobicContact CD1-CG2 4.08Å; I35-I55 HydrophobicContact CG1-CG2 3.66Å; I46-I55 HydrophobicContact CD1-CD1 4.02Å; I51-I55 HydrophobicContact CG2-CD1 3.9Å; I51-I55 HydrophobicContact CG2-CG1 4.45Å; I51-I55 VanDerWaalsContact O-CG1 3.28Å; I51-I55 WeakPolarHBondContact O-CG1 3.48Å; I51-I55 PolarHBondContact O-N 3.37Å; Y52-I55 PolarHBondContact O-N 2.94Å; I55-T57 VanDerWaalsContact C-N 3.34Å; I55-T57 PolarHBondContact O-N 3.17Å; I55-A58 PolarHBondContact O-N 2.67Å; I55-H59 VanDerWaalsContact O-CB 3.25Å; I55-H59 WeakPolarHBondContact O-CB 3.45Å; I55-H59 PolarHBondContact O-N 3Å |
| 56 | V | 98.1 | Very high | 97.5 | Very high | 40 Ų | 40 | 30.5 Ų | 30.5 | 24% | 0.242 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 177.9 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | I35 Y52 N53 A60 | I35-V56 HydrophobicContact CD1-CB 4.38Å; I35-V56 HydrophobicContact CD1-CG2 3.78Å; I35-V56 HydrophobicContact CG1-CG2 3.85Å; I35-V56 HydrophobicContact CG2-CG2 4.48Å; Y52-V56 HydrophobicContact CD1-CG2 4.23Å; Y52-V56 HydrophobicContact CD2-CG2 4.43Å; Y52-V56 HydrophobicContact CE1-CG2 3.83Å; Y52-V56 HydrophobicContact CE2-CG2 4.05Å; Y52-V56 WeakPolarHBondContact O-CG2 3.37Å; Y52-V56 PolarHBondContact O-N 3.35Å; N53-V56 PolarHBondContact O-N 3.16Å; V56-A60 PolarHBondContact O-N 2.89Å |
| 57 | T | 98.3 | Very high | 97.6 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.025 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.6 | -50.7 | 178.5 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | N53 V54 I55 H59 A60 F61 A120 G123 | N53-T57 VanDerWaalsContact O-CB 3.29Å; N53-T57 WeakPolarHBondContact O-CB 3.27Å; N53-T57 PolarHBondContact O-N 3.18Å; N53-T57 PolarHBondContact O-OG1 3Å; V54-T57 PolarHBondContact O-N 3.38Å; I55-T57 VanDerWaalsContact C-N 3.34Å; I55-T57 PolarHBondContact O-N 3.17Å; T57-H59 PolarHBondContact O-N 2.94Å; T57-A60 PolarHBondContact O-N 3.38Å; T57-F61 HydrophobicContact CG2-CD2 3.76Å; T57-F61 HydrophobicContact CG2-CE2 3.51Å; T57-F61 VanDerWaalsContact O-CD2 3.32Å; T57-F61 WeakPolarHBondContact O-CD2 3.38Å; T57-F61 PolarHBondContact O-N 3.49Å; T57-F61 VanDerWaalsContact O-N 3.15Å; T57-A120 VanDerWaalsContact CB-O 3.28Å; T57-A120 WeakPolarHBondContact CB-O 3.3Å; T57-A120 WeakPolarHBondContact CG2-O 3.31Å; T57-A120 PolarHBondContact OG1-O 2.85Å; T57-G123 VanDerWaalsContact OG1-CA 3.23Å; T57-G123 WeakPolarHBondContact OG1-CA 3.49Å; T57-G123 PolarHBondContact OG1-N 3.44Å |
| 58 | A | 98.6 | Very high | 97.8 | Very high | 9 Ų | 9 | 26.1 Ų | 26.1 | 7% | 0.074 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.5 | -41 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L31 V54 I55 A60 F61 I62 | L31-A58 HydrophobicContact CD1-CB 3.79Å; V54-A58 WeakPolarHBondContact O-CB 3.41Å; V54-A58 PolarHBondContact O-N 2.93Å; I55-A58 PolarHBondContact O-N 2.67Å; A58-A60 PolarHBondContact O-N 3.41Å; A58-F61 PolarHBondContact O-N 3.33Å; A58-I62 VanDerWaalsContact O-CB 3.31Å; A58-I62 WeakPolarHBondContact O-CB 3.41Å; A58-I62 WeakPolarHBondContact O-CG1 3.23Å; A58-I62 PolarHBondContact O-N 3.03Å |
| 59 | H | 98.4 | Very high | 97.9 | Very high | 23 Ų | 23 | 23 Ų | 23 | 11% | 0.106 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54.3 | -53.6 | 176.1 | 169.1 | 71.6 | 0 | 0 | 0 | 111.1 | G28 L31 I35 I55 T57 I62 M63 | G28-H59 PolarHBondContact O-ND1 2.92Å; L31-H59 HydrophobicContact CB-CB 3.91Å; L31-H59 HydrophobicContact CD1-CB 4.32Å; I35-H59 HydrophobicContact CD1-CB 4Å; I55-H59 VanDerWaalsContact O-CB 3.25Å; I55-H59 WeakPolarHBondContact O-CB 3.45Å; I55-H59 PolarHBondContact O-N 3Å; T57-H59 PolarHBondContact O-N 2.94Å; H59-I62 PolarHBondContact O-N 2.78Å; H59-M63 WeakPolarHBondContact O-CB 3.32Å; H59-M63 VanDerWaalsContact O-CG 3.22Å; H59-M63 WeakPolarHBondContact O-CG 3.34Å; H59-M63 PolarHBondContact O-N 3.43Å |
| 60 | A | 98.3 | Very high | 98.1 | Very high | 16 Ų | 16 | 18.9 Ų | 18.9 | 13% | 0.132 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.8 | -45.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V56 T57 A58 I62 M63 I64 W124 | V56-A60 PolarHBondContact O-N 2.89Å; T57-A60 PolarHBondContact O-N 3.38Å; A58-A60 PolarHBondContact O-N 3.41Å; A60-I62 PolarHBondContact O-N 2.84Å; A60-M63 PolarHBondContact O-N 3.07Å; A60-I64 WeakPolarHBondContact O-CB 3.42Å; A60-I64 WeakPolarHBondContact O-CG1 3.46Å; A60-I64 PolarHBondContact O-N 3.03Å; A60-W124 HydrophobicContact CB-CB 3.6Å; A60-W124 HydrophobicContact CB-CG 3.73Å |
| 61 | F | 98.5 | Very high | 98.2 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 1% | 0.013 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 176.5 | -77.7 | -48.6 | 0 | 0 | 0 | 112.8 | T57 A58 F65 L110 W124 V126 L148 | T57-F61 HydrophobicContact CG2-CD2 3.76Å; T57-F61 HydrophobicContact CG2-CE2 3.51Å; T57-F61 VanDerWaalsContact O-CD2 3.32Å; T57-F61 WeakPolarHBondContact O-CD2 3.38Å; T57-F61 PolarHBondContact O-N 3.49Å; T57-F61 VanDerWaalsContact O-N 3.15Å; A58-F61 PolarHBondContact O-N 3.33Å; F61-F65 AromaticContact CD1-CD2 3.8Å; F61-F65 HydrophobicContact CD1-CD2 3.8Å; F61-F65 AromaticContact CD1-CE2 3.75Å; F61-F65 HydrophobicContact CD1-CE2 3.75Å; F61-F65 HydrophobicContact CE1-CE2 4.11Å; F61-F65 PolarHBondContact O-N 3Å; F61-L110 HydrophobicContact CB-CD1 4.11Å; F61-L110 HydrophobicContact CB-CD2 3.58Å; F61-L110 HydrophobicContact CD2-CD1 3.79Å; F61-L110 HydrophobicContact CG-CD1 4.22Å; F61-W124 HydrophobicContact CD1-CB 4.13Å; F61-W124 HydrophobicContact CE1-CB 3.97Å; F61-W124 WeakPolarHBondContact CE1-O 3.43Å; F61-W124 HydrophobicContact CE2-CB 4.42Å; F61-W124 HydrophobicContact CG-CB 4.4Å; F61-W124 HydrophobicContact CZ-CB 4.14Å; F61-W124 VanDerWaalsContact CZ-O 3.23Å; F61-W124 WeakPolarHBondContact CZ-O 3.38Å; F61-V126 HydrophobicContact CE2-CG2 4.25Å; F61-V126 HydrophobicContact CZ-CG2 3.54Å; F61-L148 HydrophobicContact CD1-CD2 3.82Å; F61-L148 HydrophobicContact CE1-CD1 3.78Å; F61-L148 HydrophobicContact CE1-CD2 3.73Å; F61-L148 HydrophobicContact CE1-CG 4.27Å; F61-L148 HydrophobicContact CZ-CD1 3.9Å; F61-L148 HydrophobicContact CZ-CD2 4.5Å |
| 62 | I | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | I | π-helix | trans | -63 | -46.6 | 179.2 | -70.1 | 172.3 | 0 | 0 | 0 | 110.9 | A24 V27 L31 A58 H59 A60 I64 F66 M67 L107 L110 L111 | A24-I62 HydrophobicContact CB-CG2 4.22Å; A24-I62 WeakPolarHBondContact O-CG2 3.4Å; V27-I62 HydrophobicContact CB-CD1 4.42Å; V27-I62 HydrophobicContact CG1-CD1 3.69Å; L31-I62 HydrophobicContact CD1-CD1 3.85Å; A58-I62 VanDerWaalsContact O-CB 3.31Å; A58-I62 WeakPolarHBondContact O-CB 3.41Å; A58-I62 WeakPolarHBondContact O-CG1 3.23Å; A58-I62 PolarHBondContact O-N 3.03Å; H59-I62 PolarHBondContact O-N 2.78Å; A60-I62 PolarHBondContact O-N 2.84Å; I62-I64 PolarHBondContact O-N 3.41Å; I62-F66 CarbonylContact O-C 3.51Å; I62-F66 WeakPolarHBondContact O-CA 3.41Å; I62-F66 WeakPolarHBondContact O-CB 3.25Å; I62-F66 PolarHBondContact O-N 3.45Å; I62-M67 PolarHBondContact O-N 2.9Å; I62-L107 HydrophobicContact CD1-CD1 4.45Å; I62-L107 HydrophobicContact CG1-CD1 4.03Å; I62-L110 HydrophobicContact CD1-CD2 4.48Å; I62-L110 HydrophobicContact CG1-CD2 3.68Å; I62-L111 HydrophobicContact CD1-CD2 4.07Å |
| 63 | M | 98.4 | Very high | 98.2 | Very high | 36 Ų | 36 | 13.8 Ų | 13.8 | 18% | 0.177 | 8% | 0.076 | C | C | . | . | I | π-helix | trans | -66.4 | -40.4 | -177.6 | -66.3 | -60.2 | -70.9 | 0 | 0 | 112.3 | H59 A60 M67 V68 | H59-M63 WeakPolarHBondContact O-CB 3.32Å; H59-M63 VanDerWaalsContact O-CG 3.22Å; H59-M63 WeakPolarHBondContact O-CG 3.34Å; H59-M63 PolarHBondContact O-N 3.43Å; A60-M63 PolarHBondContact O-N 3.07Å; M63-M67 HydrophobicContact CE-CE 4.42Å; M63-M67 HydrophobicContact CE-SD 3.3Å; M63-M67 WeakPolarHBondContact CE-SD 3.43Å; M63-M67 HydrophobicContact SD-SD 3.73Å; M63-V68 WeakPolarHBondContact O-CB 3.36Å; M63-V68 WeakPolarHBondContact O-CG2 3.22Å; M63-V68 PolarHBondContact O-N 3.44Å |
| 64 | I | 97.9 | Very high | 98.3 | Very high | 5 Ų | 5 | 12 Ų | 12 | 3% | 0.026 | 7% | 0.068 | C | C | . | . | I | π-helix | trans | -75.5 | -63.8 | -178.4 | -66.4 | 168.9 | 0 | 0 | 0 | 110.9 | A60 I62 M69 W124 E240 L244 F375 L379 | A60-I64 WeakPolarHBondContact O-CB 3.42Å; A60-I64 WeakPolarHBondContact O-CG1 3.46Å; A60-I64 PolarHBondContact O-N 3.03Å; I62-I64 PolarHBondContact O-N 3.41Å; I64-M69 WeakPolarHBondContact O-CB 3.45Å; I64-M69 PolarHBondContact O-N 3.44Å; I64-W124 HydrophobicContact CD1-CD2 4.23Å; I64-W124 HydrophobicContact CD1-CE3 3.97Å; I64-W124 HydrophobicContact CD1-CH2 4.5Å; I64-W124 HydrophobicContact CD1-CZ3 4.09Å; I64-E240 HydrophobicContact CG2-CG 4.37Å; I64-L244 HydrophobicContact CG1-CD1 4.47Å; I64-L244 HydrophobicContact CG2-CD1 4.12Å; I64-L244 HydrophobicContact CG2-CD2 4.42Å; I64-F375 HydrophobicContact CD1-CE1 4.35Å; I64-F375 HydrophobicContact CD1-CZ 4.14Å; I64-L379 HydrophobicContact CG1-CD1 4.44Å |
| 65 | F | 98.4 | Very high | 98.3 | Very high | 11 Ų | 11 | 11.4 Ų | 11.4 | 5% | 0.048 | 6% | 0.064 | C | C | . | . | I | π-helix | trans | -86.6 | -20.6 | -167.7 | -64.9 | -72.6 | 0 | 0 | 0 | 113.9 | F61 M69 P70 L148 F236 | F61-F65 AromaticContact CD1-CD2 3.8Å; F61-F65 HydrophobicContact CD1-CD2 3.8Å; F61-F65 AromaticContact CD1-CE2 3.75Å; F61-F65 HydrophobicContact CD1-CE2 3.75Å; F61-F65 HydrophobicContact CE1-CE2 4.11Å; F61-F65 PolarHBondContact O-N 3Å; F65-M69 HydrophobicContact CD1-CE 4.03Å; F65-M69 HydrophobicContact CE1-CE 4.3Å; F65-P70 VanDerWaalsContact O-CD 3.26Å; F65-P70 WeakPolarHBondContact O-CD 3.2Å; F65-P70 WeakPolarHBondContact O-CG 3.37Å; F65-L148 HydrophobicContact CD2-CD2 3.87Å; F65-L148 HydrophobicContact CE2-CD2 3.8Å; F65-L148 HydrophobicContact CG-CD2 4.43Å; F65-L148 HydrophobicContact CZ-CD2 4.3Å; F65-F236 AromaticContact CE1-CZ 3.79Å; F65-F236 HydrophobicContact CE1-CZ 3.79Å; F65-F236 HydrophobicContact CZ-CE1 4.04Å; F65-F236 AromaticContact CZ-CZ 3.78Å; F65-F236 HydrophobicContact CZ-CZ 3.78Å |
| 66 | F | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.059 | C | C | . | . | I | π-helix | trans | -117 | -16 | -172.5 | -60.2 | -74.8 | 0 | 0 | 0 | 114.4 | F20 G21 A24 I62 L103 A106 L107 L110 A151 | F20-F66 HydrophobicContact CE1-CB 4.13Å; F20-F66 AromaticContact CE1-CD1 3.9Å; F20-F66 HydrophobicContact CE1-CD1 3.9Å; F20-F66 WeakPolarHBondContact CE1-O 3.31Å; F20-F66 HydrophobicContact CZ-CB 4.4Å; F20-F66 AromaticContact CZ-CD1 3.68Å; F20-F66 HydrophobicContact CZ-CD1 3.68Å; F20-F66 HydrophobicContact CZ-CE1 4.48Å; F20-F66 HydrophobicContact CZ-CG 4.49Å; G21-F66 WeakPolarHBondContact CA-O 3.5Å; A24-F66 HydrophobicContact CB-CB 3.86Å; A24-F66 VanDerWaalsContact CB-O 3.27Å; A24-F66 WeakPolarHBondContact CB-O 3.22Å; I62-F66 CarbonylContact O-C 3.51Å; I62-F66 WeakPolarHBondContact O-CA 3.41Å; I62-F66 WeakPolarHBondContact O-CB 3.25Å; I62-F66 PolarHBondContact O-N 3.45Å; F66-L103 HydrophobicContact CE1-CD2 4.44Å; F66-A106 HydrophobicContact CE1-CB 3.74Å; F66-A106 HydrophobicContact CZ-CB 3.91Å; F66-L107 HydrophobicContact CB-CD1 4.27Å; F66-L107 HydrophobicContact CD1-CB 3.78Å; F66-L107 HydrophobicContact CD1-CD1 4.23Å; F66-L107 HydrophobicContact CD1-CG 4.41Å; F66-L107 HydrophobicContact CD2-CD1 4.05Å; F66-L107 HydrophobicContact CE1-CB 3.76Å; F66-L107 HydrophobicContact CE2-CD1 4.46Å; F66-L107 HydrophobicContact CG-CB 4.34Å; F66-L107 HydrophobicContact CG-CD1 3.9Å; F66-L107 HydrophobicContact CZ-CB 4.33Å; F66-L110 HydrophobicContact CD2-CD2 3.99Å; F66-L110 HydrophobicContact CE2-CD2 3.69Å; F66-A151 HydrophobicContact CE1-CB 4.37Å; F66-A151 HydrophobicContact CZ-CB 4.19Å |
| 67 | M | 98.5 | Very high | 98.3 | Very high | 24 Ų | 24 | 8.6 Ų | 8.6 | 12% | 0.118 | 5% | 0.048 | C | C | . | . | I | π-helix | trans | -110.5 | -72.6 | 172.9 | -178.9 | -157.6 | 168.6 | 0 | 0 | 112 | I62 M63 P70 I71 V384 | I62-M67 PolarHBondContact O-N 2.9Å; M63-M67 HydrophobicContact CE-CE 4.42Å; M63-M67 HydrophobicContact CE-SD 3.3Å; M63-M67 WeakPolarHBondContact CE-SD 3.43Å; M63-M67 HydrophobicContact SD-SD 3.73Å; M67-P70 WeakPolarHBondContact O-CD 3.4Å; M67-I71 HydrophobicContact CG-CD1 3.91Å; M67-I71 WeakPolarHBondContact O-CB 3.42Å; M67-I71 VanDerWaalsContact O-CG1 3.23Å; M67-I71 WeakPolarHBondContact O-CG1 3.39Å; M67-I71 PolarHBondContact O-N 3.5Å; M67-V384 HydrophobicContact CE-CG1 4.23Å; M67-V384 HydrophobicContact CE-CG2 3.94Å |
| 68 | V | 98.5 | Very high | 98.3 | Very high | 4 Ų | 4 | 8.4 Ų | 8.4 | 2% | 0.024 | 5% | 0.047 | C | C | . | . | I | π-helix | trans | -65.1 | -52.5 | -166.6 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | M63 I71 M72 L244 A383 V384 I387 | M63-V68 WeakPolarHBondContact O-CB 3.36Å; M63-V68 WeakPolarHBondContact O-CG2 3.22Å; M63-V68 PolarHBondContact O-N 3.44Å; V68-I71 PolarHBondContact O-N 3.43Å; V68-M72 HydrophobicContact CG1-CG 3.95Å; V68-M72 VanDerWaalsContact O-CB 3.25Å; V68-M72 WeakPolarHBondContact O-CB 3.19Å; V68-M72 WeakPolarHBondContact O-CG 3.27Å; V68-M72 PolarHBondContact O-N 3.12Å; V68-L244 HydrophobicContact CB-CD2 4.06Å; V68-L244 HydrophobicContact CG1-CB 4.1Å; V68-L244 HydrophobicContact CG1-CD2 3.76Å; V68-L244 HydrophobicContact CG1-CG 4.45Å; V68-A383 HydrophobicContact CG1-CB 3.79Å; V68-V384 HydrophobicContact CG2-CG2 4.26Å; V68-I387 HydrophobicContact CG1-CD1 4.42Å |
| 69 | M | 97.7 | Very high | 98.3 | Very high | 9 Ų | 9 | 8.6 Ų | 8.6 | 4% | 0.044 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.7 | -50.2 | 179.8 | 177.4 | -165.8 | -60.9 | 0 | 0 | 112.3 | I64 F65 I71 M72 I73 S155 L193 E240 I243 L244 | I64-M69 WeakPolarHBondContact O-CB 3.45Å; I64-M69 PolarHBondContact O-N 3.44Å; F65-M69 HydrophobicContact CD1-CE 4.03Å; F65-M69 HydrophobicContact CE1-CE 4.3Å; M69-I71 VanDerWaalsContact C-N 3.33Å; M69-I71 PolarHBondContact O-N 2.99Å; M69-M72 PolarHBondContact O-N 2.93Å; M69-I73 HydrophobicContact CG-CD1 4.4Å; M69-I73 PolarHBondContact O-N 2.87Å; M69-S155 PolarHBondContact SD-OG 3.35Å; M69-S155 VanDerWaalsContact SD-OG 3.34Å; M69-L193 HydrophobicContact CE-CD2 4.09Å; M69-L193 HydrophobicContact SD-CD2 4.27Å; M69-E240 VanDerWaalsContact CE-CD 3.43Å; M69-E240 WeakPolarHBondContact CE-OE1 3.37Å; M69-E240 WeakPolarHBondContact CE-OE2 3.5Å; M69-I243 HydrophobicContact CE-CG2 4.19Å; M69-L244 HydrophobicContact CB-CD2 3.84Å |
| 70 | P | 98.6 | Very high | 98.2 | Very high | 5 Ų | 5 | 7.5 Ų | 7.5 | 3% | 0.032 | 4% | 0.04 | C | C | . | . | I | π-helix | trans | -57.5 | -38.5 | 175.8 | -33 | 41.4 | 0 | 0 | 0 | 114.4 | Y17 F20 F65 M67 G74 G75 L103 | Y17-P70 HydrophobicContact CD1-CB 3.97Å; F20-P70 HydrophobicContact CD1-CB 4.27Å; F20-P70 HydrophobicContact CD1-CG 4.48Å; F20-P70 HydrophobicContact CE1-CG 4.33Å; F65-P70 VanDerWaalsContact O-CD 3.26Å; F65-P70 WeakPolarHBondContact O-CD 3.2Å; F65-P70 WeakPolarHBondContact O-CG 3.37Å; M67-P70 WeakPolarHBondContact O-CD 3.4Å; P70-G74 CarbonylContact O-C 3.56Å; P70-G74 VanDerWaalsContact O-C 3.26Å; P70-G74 WeakPolarHBondContact O-CA 3.46Å; P70-G74 PolarHBondContact O-N 2.82Å; P70-G75 PolarHBondContact O-N 3.4Å; P70-L103 HydrophobicContact CB-CD1 4.15Å; P70-L103 HydrophobicContact CG-CD1 3.9Å |
| 71 | I | 98.7 | Very high | 98.2 | Very high | 12 Ų | 12 | 6.7 Ų | 6.7 | 6% | 0.062 | 3% | 0.034 | C | C | . | . | I | π-helix | trans | -73.6 | -46.7 | 179.3 | -67.9 | 172.2 | 0 | 0 | 0 | 111.2 | F18 M67 V68 M69 G75 F76 I387 | F18-I71 HydrophobicContact CD1-CG2 3.96Å; F18-I71 HydrophobicContact CE1-CG2 3.9Å; M67-I71 HydrophobicContact CG-CD1 3.91Å; M67-I71 WeakPolarHBondContact O-CB 3.42Å; M67-I71 VanDerWaalsContact O-CG1 3.23Å; M67-I71 WeakPolarHBondContact O-CG1 3.39Å; M67-I71 PolarHBondContact O-N 3.5Å; V68-I71 PolarHBondContact O-N 3.43Å; M69-I71 VanDerWaalsContact C-N 3.33Å; M69-I71 PolarHBondContact O-N 2.99Å; I71-G75 WeakPolarHBondContact O-CA 3.27Å; I71-G75 PolarHBondContact O-N 3.12Å; I71-F76 HydrophobicContact CG2-CD2 4.24Å; I71-F76 HydrophobicContact CG2-CE2 3.91Å; I71-F76 VanDerWaalsContact O-CD2 3.31Å; I71-F76 WeakPolarHBondContact O-CD2 3.45Å; I71-F76 PolarHBondContact O-N 3.21Å; I71-I387 HydrophobicContact CB-CD1 4.07Å; I71-I387 HydrophobicContact CD1-CD1 4.5Å; I71-I387 HydrophobicContact CG2-CB 4.31Å; I71-I387 HydrophobicContact CG2-CD1 3.83Å; I71-I387 HydrophobicContact CG2-CG1 3.83Å; I71-I387 HydrophobicContact CG2-CG2 3.57Å |
| 72 | M | 97.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.033 | C | C | . | . | I | π-helix | trans | -67.9 | -46 | -172.8 | -70.6 | -69 | -84.1 | 0 | 0 | 113 | V68 M69 L244 P247 M251 I387 | V68-M72 HydrophobicContact CG1-CG 3.95Å; V68-M72 VanDerWaalsContact O-CB 3.25Å; V68-M72 WeakPolarHBondContact O-CB 3.19Å; V68-M72 WeakPolarHBondContact O-CG 3.27Å; V68-M72 PolarHBondContact O-N 3.12Å; M69-M72 PolarHBondContact O-N 2.93Å; M72-L244 WeakPolarHBondContact CE-O 3.37Å; M72-P247 HydrophobicContact CB-CB 4.39Å; M72-P247 HydrophobicContact CB-CG 4.44Å; M72-P247 HydrophobicContact CE-CB 4.11Å; M72-M251 HydrophobicContact CE-CE 3.75Å; M72-M251 HydrophobicContact SD-CE 3.33Å; M72-M251 WeakPolarHBondContact SD-CE 3.45Å; M72-I387 HydrophobicContact CG-CD1 3.92Å; M72-I387 HydrophobicContact CG-CG1 3.85Å; M72-I387 HydrophobicContact SD-CD1 4.01Å; M72-I387 HydrophobicContact SD-CG1 3.26Å; M72-I387 WeakPolarHBondContact SD-CG1 3.28Å |
| 73 | I | 96.9 | Very high | 97.9 | Very high | 15 Ų | 15 | 6.7 Ų | 6.7 | 8% | 0.077 | 3% | 0.034 | C | C | . | . | I | π-helix | trans | -99.9 | -51.4 | -179 | -72 | 166.5 | 0 | 0 | 0 | 110.4 | M69 G77 N78 F162 T189 L193 I243 P247 | M69-I73 HydrophobicContact CG-CD1 4.4Å; M69-I73 PolarHBondContact O-N 2.87Å; I73-G77 WeakPolarHBondContact O-CA 3.41Å; I73-G77 PolarHBondContact O-N 3.1Å; I73-N78 PolarHBondContact O-N 3.46Å; I73-F162 HydrophobicContact CG2-CD2 4.08Å; I73-F162 HydrophobicContact CG2-CE2 3.5Å; I73-F162 VanDerWaalsContact CG2-CE2 3.5Å; I73-F162 HydrophobicContact CG2-CZ 4.25Å; I73-F162 WeakPolarHBondContact O-CZ 3.12Å; I73-T189 HydrophobicContact CD1-CG2 3.2Å; I73-T189 HydrophobicContact CG1-CG2 3.92Å; I73-L193 HydrophobicContact CD1-CD1 3.66Å; I73-I243 HydrophobicContact CD1-CG2 3.86Å; I73-P247 HydrophobicContact CG1-CG 3.96Å |
| 74 | G | 98.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 5 Ų | 5 | 4% | 0.041 | 3% | 0.026 | C | C | . | . | I | π-helix | trans | -65 | -47 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y17 P70 N78 | Y17-G74 VanDerWaalsContact CD2-C 3.43Å; Y17-G74 WeakPolarHBondContact CD2-O 3.3Å; Y17-G74 VanDerWaalsContact CG-CA 3.44Å; P70-G74 CarbonylContact O-C 3.56Å; P70-G74 VanDerWaalsContact O-C 3.26Å; P70-G74 WeakPolarHBondContact O-CA 3.46Å; P70-G74 PolarHBondContact O-N 2.82Å; G74-N78 WeakPolarHBondContact O-CB 3.34Å; G74-N78 PolarHBondContact O-ND2 3.3Å |
| 75 | G | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 2% | 0.024 | C | C | . | . | I | π-helix | trans | -75.4 | -72.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112 | G14 P70 I71 G77 W79 | G14-G75 WeakPolarHBondContact O-CA 3.31Å; P70-G75 PolarHBondContact O-N 3.4Å; I71-G75 WeakPolarHBondContact O-CA 3.27Å; I71-G75 PolarHBondContact O-N 3.12Å; G75-G77 PolarHBondContact O-N 3.02Å; G75-W79 PolarHBondContact O-N 2.93Å; G75-W79 VanDerWaalsContact O-N 3.1Å |
| 76 | F | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -64.9 | -40.8 | -177.2 | -70.6 | -74.5 | 0 | 0 | 0 | 112.9 | F18 I71 W79 L80 F182 M251 I387 F391 W394 F398 | F18-F76 HydrophobicContact CE1-CD1 4.37Å; F18-F76 AromaticContact CE1-CD2 3.83Å; F18-F76 HydrophobicContact CE1-CD2 3.83Å; F18-F76 HydrophobicContact CE1-CE1 4.29Å; F18-F76 AromaticContact CE1-CE2 3.75Å; F18-F76 HydrophobicContact CE1-CE2 3.75Å; F18-F76 HydrophobicContact CE1-CG 4.13Å; F18-F76 AromaticContact CE1-CZ 3.98Å; F18-F76 HydrophobicContact CE1-CZ 3.98Å; F18-F76 AromaticContact CZ-CD1 3.85Å; F18-F76 HydrophobicContact CZ-CD1 3.85Å; F18-F76 HydrophobicContact CZ-CD2 4.11Å; F18-F76 AromaticContact CZ-CE1 3.91Å; F18-F76 HydrophobicContact CZ-CE1 3.91Å; F18-F76 HydrophobicContact CZ-CE2 4.18Å; F18-F76 AromaticContact CZ-CG 3.93Å; F18-F76 HydrophobicContact CZ-CG 3.93Å; F18-F76 HydrophobicContact CZ-CZ 4.07Å; I71-F76 HydrophobicContact CG2-CD2 4.24Å; I71-F76 HydrophobicContact CG2-CE2 3.91Å; I71-F76 VanDerWaalsContact O-CD2 3.31Å; I71-F76 WeakPolarHBondContact O-CD2 3.45Å; I71-F76 PolarHBondContact O-N 3.21Å; F76-W79 PolarHBondContact O-N 3.32Å; F76-L80 HydrophobicContact CB-CD1 4.36Å; F76-L80 HydrophobicContact CD1-CD1 3.95Å; F76-L80 VanDerWaalsContact O-CB 3.3Å; F76-L80 WeakPolarHBondContact O-CB 3.42Å; F76-L80 WeakPolarHBondContact O-CG 3.37Å; F76-L80 PolarHBondContact O-N 3.22Å; F76-F182 HydrophobicContact CB-CE1 4.48Å; F76-F182 HydrophobicContact CB-CE2 4.15Å; F76-F182 HydrophobicContact CB-CZ 3.59Å; F76-M251 HydrophobicContact CB-SD 4.25Å; F76-M251 HydrophobicContact CD1-SD 3.66Å; F76-M251 HydrophobicContact CD2-CE 3.97Å; F76-M251 HydrophobicContact CD2-SD 3.49Å; F76-M251 WeakPolarHBondContact CD2-SD 3.41Å; F76-M251 HydrophobicContact CE1-SD 3.78Å; F76-M251 HydrophobicContact CE2-CE 4.03Å; F76-M251 HydrophobicContact CE2-SD 3.61Å; F76-M251 HydrophobicContact CG-SD 3.52Å; F76-M251 VanDerWaalsContact CG-SD 3.52Å; F76-M251 HydrophobicContact CZ-SD 3.76Å; F76-I387 HydrophobicContact CE2-CG2 4.39Å; F76-F391 HydrophobicContact CZ-CB 4.05Å; F76-F391 VanDerWaalsContact CZ-N 3.31Å; F76-W394 HydrophobicContact CD1-CE3 4.16Å; F76-W394 AromaticContact CE1-CE3 3.94Å; F76-W394 HydrophobicContact CE1-CE3 3.94Å; F76-F398 HydrophobicContact CD1-CE2 4.38Å; F76-F398 HydrophobicContact CD1-CZ 4Å; F76-F398 AromaticContact CE1-CE2 3.98Å; F76-F398 HydrophobicContact CE1-CE2 3.98Å; F76-F398 HydrophobicContact CE1-CZ 4.01Å |
| 77 | G | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -60.2 | -49.2 | 180 | 0 | 0 | 0 | 0 | 0 | 111.5 | I73 G75 V81 F162 | I73-G77 WeakPolarHBondContact O-CA 3.41Å; I73-G77 PolarHBondContact O-N 3.1Å; G75-G77 PolarHBondContact O-N 3.02Å; G77-V81 WeakPolarHBondContact O-CB 3.45Å; G77-V81 VanDerWaalsContact O-CG2 3.27Å; G77-V81 WeakPolarHBondContact O-CG2 3.36Å; G77-V81 PolarHBondContact O-N 2.96Å; G77-F162 VanDerWaalsContact C-CE1 3.41Å |
| 78 | N | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 4.2 Ų | 4.2 | 1% | 0.005 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -65.3 | -41.3 | 178.2 | -81.6 | -68 | 0 | 0 | 0 | 112.8 | H10 Y17 I73 G74 P82 N96 | H10-N78 PolarHBondContact ND1-O 3.19Å; H10-N78 WeakPolarHBondContact O-CB 3.29Å; Y17-N78 WeakPolarHBondContact CE2-ND2 3.25Å; I73-N78 PolarHBondContact O-N 3.46Å; G74-N78 WeakPolarHBondContact O-CB 3.34Å; G74-N78 PolarHBondContact O-ND2 3.3Å; N78-P82 WeakPolarHBondContact O-CD 3.31Å; N78-N96 PolarHBondContact OD1-ND2 3.47Å; N78-N96 PolarHBondContact OD1-OD1 2.79Å |
| 79 | W | 97.5 | Very high | 96.5 | Very high | 12 Ų | 12 | 4.8 Ų | 4.8 | 5% | 0.045 | 3% | 0.027 | C | C | . | . | H | α-helix | trans | -64.5 | -50.8 | 177.8 | -97.3 | 100.2 | 0 | 0 | 0 | 112.6 | K11 T15 F18 G75 F76 L83 F398 | K11-W79 HydrophobicContact CB-CD2 4.13Å; K11-W79 HydrophobicContact CB-CE3 4.01Å; K11-W79 HydrophobicContact CB-CH2 3.78Å; K11-W79 HydrophobicContact CB-CZ2 3.87Å; K11-W79 HydrophobicContact CB-CZ3 3.84Å; K11-W79 HydrophobicContact CD-CE3 4.06Å; K11-W79 HydrophobicContact CD-CH2 4.1Å; K11-W79 HydrophobicContact CD-CZ3 3.57Å; K11-W79 HydrophobicContact CG-CD2 4.19Å; K11-W79 HydrophobicContact CG-CE3 3.67Å; K11-W79 HydrophobicContact CG-CH2 4.1Å; K11-W79 HydrophobicContact CG-CZ3 3.63Å; K11-W79 PolarHBondContact O-NE1 2.89Å; K11-W79 VanDerWaalsContact O-NE1 3.13Å; T15-W79 VanDerWaalsContact OG1-CZ2 3.29Å; T15-W79 WeakPolarHBondContact OG1-CZ2 3.03Å; T15-W79 PolarHBondContact OG1-NE1 3.36Å; F18-W79 AromaticContact CE2-CD1 3.51Å; F18-W79 HydrophobicContact CE2-CG 4.32Å; F18-W79 AromaticContact CE2-NE1 3.95Å; G75-W79 PolarHBondContact O-N 2.93Å; G75-W79 VanDerWaalsContact O-N 3.1Å; F76-W79 PolarHBondContact O-N 3.32Å; W79-L83 HydrophobicContact CE3-CD1 4.47Å; W79-L83 VanDerWaalsContact O-CD1 3.31Å; W79-L83 WeakPolarHBondContact O-CD1 3.45Å; W79-L83 WeakPolarHBondContact O-CG 3.36Å; W79-F398 HydrophobicContact CB-CD1 4.4Å; W79-F398 HydrophobicContact CB-CE1 3.76Å; W79-F398 HydrophobicContact CB-CZ 4.29Å; W79-F398 AromaticContact CD2-CD1 3.53Å; W79-F398 HydrophobicContact CD2-CD1 3.53Å; W79-F398 AromaticContact CD2-CE1 3.83Å; W79-F398 HydrophobicContact CD2-CE1 3.83Å; W79-F398 HydrophobicContact CD2-CG 4.3Å; W79-F398 AromaticContact CE2-CD1 3.99Å; W79-F398 AromaticContact CE3-CD1 3.5Å; W79-F398 HydrophobicContact CE3-CD1 3.5Å; W79-F398 AromaticContact CE3-CE1 3.94Å; W79-F398 HydrophobicContact CE3-CE1 3.94Å; W79-F398 AromaticContact CG-CD1 3.95Å; W79-F398 HydrophobicContact CG-CD1 3.95Å; W79-F398 AromaticContact CG-CE1 3.78Å; W79-F398 HydrophobicContact CG-CE1 3.78Å; W79-F398 HydrophobicContact CG-CZ 4.4Å; W79-F398 HydrophobicContact CH2-CB 4.3Å; W79-F398 HydrophobicContact CH2-CD1 4.36Å; W79-F398 HydrophobicContact CZ2-CB 4.2Å; W79-F398 HydrophobicContact CZ2-CD1 4.39Å; W79-F398 AromaticContact CZ3-CD1 3.93Å; W79-F398 HydrophobicContact CZ3-CD1 3.93Å |
| 80 | L | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -95.9 | -31.3 | -163.4 | -60.3 | 176.6 | 0 | 0 | 0 | 113.5 | F76 L83 M84 F182 W394 L397 F398 | F76-L80 HydrophobicContact CB-CD1 4.36Å; F76-L80 HydrophobicContact CD1-CD1 3.95Å; F76-L80 VanDerWaalsContact O-CB 3.3Å; F76-L80 WeakPolarHBondContact O-CB 3.42Å; F76-L80 WeakPolarHBondContact O-CG 3.37Å; F76-L80 PolarHBondContact O-N 3.22Å; L80-L83 PolarHBondContact O-N 2.81Å; L80-M84 HydrophobicContact CB-CE 4.12Å; L80-M84 HydrophobicContact CB-CG 4.49Å; L80-M84 HydrophobicContact CB-SD 4.2Å; L80-M84 HydrophobicContact CD1-CE 4.11Å; L80-M84 HydrophobicContact CD2-CE 4.43Å; L80-M84 HydrophobicContact CG-CE 4.46Å; L80-M84 WeakPolarHBondContact O-CB 3.47Å; L80-M84 VanDerWaalsContact O-CG 3.29Å; L80-M84 WeakPolarHBondContact O-CG 3.38Å; L80-M84 PolarHBondContact O-N 3.4Å; L80-F182 HydrophobicContact CB-CD1 3.98Å; L80-F182 HydrophobicContact CB-CE1 3.69Å; L80-F182 HydrophobicContact CD1-CD1 4.29Å; L80-F182 HydrophobicContact CD1-CE1 4.05Å; L80-F182 HydrophobicContact CD1-CZ 4.35Å; L80-F182 HydrophobicContact CG-CE1 4.44Å; L80-W394 HydrophobicContact CD1-CD2 3.72Å; L80-W394 HydrophobicContact CD1-CE3 3.86Å; L80-W394 HydrophobicContact CD1-CG 4.28Å; L80-W394 HydrophobicContact CD1-CH2 4.42Å; L80-W394 HydrophobicContact CD1-CZ2 4.21Å; L80-W394 HydrophobicContact CD1-CZ3 4.23Å; L80-W394 HydrophobicContact CD2-CD2 4.28Å; L80-W394 HydrophobicContact CD2-CG 4.01Å; L80-L397 HydrophobicContact CD2-CD2 4.06Å; L80-F398 HydrophobicContact CD2-CE1 3.95Å; L80-F398 HydrophobicContact CD2-CZ 4.36Å; L80-F398 HydrophobicContact CG-CE1 4.46Å |
| 81 | V | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -61.3 | -50.7 | -174.3 | 170.9 | 0 | 0 | 0 | 0 | 112.1 | G77 L83 M84 L85 F162 V166 F182 V183 V186 | G77-V81 WeakPolarHBondContact O-CB 3.45Å; G77-V81 VanDerWaalsContact O-CG2 3.27Å; G77-V81 WeakPolarHBondContact O-CG2 3.36Å; G77-V81 PolarHBondContact O-N 2.96Å; V81-L83 PolarHBondContact O-N 2.99Å; V81-M84 PolarHBondContact O-N 3.27Å; V81-L85 HydrophobicContact CG1-CD1 3.88Å; V81-L85 HydrophobicContact CG1-CG 4.5Å; V81-L85 WeakPolarHBondContact O-CB 3.22Å; V81-L85 VanDerWaalsContact O-CG 3.3Å; V81-L85 WeakPolarHBondContact O-CG 3.45Å; V81-L85 PolarHBondContact O-N 3.46Å; V81-L85 VanDerWaalsContact O-N 3.08Å; V81-F162 HydrophobicContact CB-CD1 4.42Å; V81-F162 HydrophobicContact CB-CE1 4.34Å; V81-F162 HydrophobicContact CG1-CD1 4.44Å; V81-F162 HydrophobicContact CG2-CD1 4.24Å; V81-F162 HydrophobicContact CG2-CE1 4.19Å; V81-V166 HydrophobicContact CG1-CG2 3.85Å; V81-F182 HydrophobicContact CG2-CE1 4.15Å; V81-V183 HydrophobicContact CG1-CG1 4.45Å; V81-V186 HydrophobicContact CG2-CB 4.08Å; V81-V186 HydrophobicContact CG2-CG1 3.98Å; V81-V186 HydrophobicContact CG2-CG2 4.08Å |
| 82 | P | 96.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -62 | -42.2 | 176.8 | -26.5 | 38.6 | 0 | 0 | 0 | 112.5 | H10 N78 M84 L85 G86 A87 M90 | H10-P82 HydrophobicContact CB-CG 4.16Å; N78-P82 WeakPolarHBondContact O-CD 3.31Å; P82-M84 PolarHBondContact O-N 3.11Å; P82-L85 PolarHBondContact O-N 3.5Å; P82-G86 CarbonylContact O-C 3.26Å; P82-G86 PolarHBondContact O-N 2.96Å; P82-A87 HydrophobicContact CB-CB 4.16Å; P82-A87 PolarHBondContact O-N 3.15Å; P82-M90 HydrophobicContact CG-CG 3.99Å; P82-M90 HydrophobicContact CG-SD 3.54Å; P82-M90 VanDerWaalsContact CG-SD 3.54Å |
| 83 | L | 95.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 11 Ų | 11 | 2% | 0.016 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -62.3 | -46.1 | 179.4 | -64.2 | 179.6 | 0 | 0 | 0 | 112.2 | W79 L80 V81 L85 G86 L397 I490 E491 Q494 P498 | W79-L83 HydrophobicContact CE3-CD1 4.47Å; W79-L83 VanDerWaalsContact O-CD1 3.31Å; W79-L83 WeakPolarHBondContact O-CD1 3.45Å; W79-L83 WeakPolarHBondContact O-CG 3.36Å; L80-L83 PolarHBondContact O-N 2.81Å; V81-L83 PolarHBondContact O-N 2.99Å; L83-L85 PolarHBondContact O-N 2.99Å; L83-G86 PolarHBondContact O-N 2.95Å; L83-G86 VanDerWaalsContact O-N 3.1Å; L83-L397 HydrophobicContact CD1-CD2 4.18Å; L83-I490 WeakPolarHBondContact O-CD1 3.43Å; L83-I490 WeakPolarHBondContact O-CG1 3.23Å; L83-E491 HydrophobicContact CB-CB 3.76Å; L83-E491 HydrophobicContact CD1-CB 4.48Å; L83-Q494 HydrophobicContact CD2-CG 4.32Å; L83-P498 HydrophobicContact CD1-CG 4.3Å |
| 84 | M | 95.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -71.5 | -15.1 | 179.4 | -74.1 | -176 | 177.1 | 0 | 0 | 113.8 | L80 V81 P82 P180 F182 V183 W394 I490 E491 | L80-M84 HydrophobicContact CB-CE 4.12Å; L80-M84 HydrophobicContact CB-CG 4.49Å; L80-M84 HydrophobicContact CB-SD 4.2Å; L80-M84 HydrophobicContact CD1-CE 4.11Å; L80-M84 HydrophobicContact CD2-CE 4.43Å; L80-M84 HydrophobicContact CG-CE 4.46Å; L80-M84 WeakPolarHBondContact O-CB 3.47Å; L80-M84 VanDerWaalsContact O-CG 3.29Å; L80-M84 WeakPolarHBondContact O-CG 3.38Å; L80-M84 PolarHBondContact O-N 3.4Å; V81-M84 PolarHBondContact O-N 3.27Å; P82-M84 PolarHBondContact O-N 3.11Å; M84-P180 HydrophobicContact CB-CG 4.16Å; M84-P180 HydrophobicContact SD-CB 4.23Å; M84-F182 HydrophobicContact CE-CB 4.41Å; M84-F182 HydrophobicContact CE-CD1 4.41Å; M84-F182 HydrophobicContact SD-CB 3.92Å; M84-F182 HydrophobicContact SD-CD1 3.78Å; M84-F182 HydrophobicContact SD-CG 4.26Å; M84-V183 HydrophobicContact CB-CG2 3.69Å; M84-V183 HydrophobicContact SD-CG2 4.27Å; M84-W394 HydrophobicContact CE-CZ2 4.04Å; M84-I490 VanDerWaalsContact O-CD1 3.32Å; M84-I490 WeakPolarHBondContact O-CD1 3.27Å; M84-E491 HydrophobicContact CE-CG 4.45Å; M84-E491 HydrophobicContact CG-CB 4.36Å |
| 85 | L | 95 | Very high | 96 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -96.5 | -10.3 | 170.9 | -70.6 | -179.9 | 0 | 0 | 0 | 113.1 | V81 P82 L83 A87 T165 V166 R170 S171 V183 | V81-L85 HydrophobicContact CG1-CD1 3.88Å; V81-L85 HydrophobicContact CG1-CG 4.5Å; V81-L85 WeakPolarHBondContact O-CB 3.22Å; V81-L85 VanDerWaalsContact O-CG 3.3Å; V81-L85 WeakPolarHBondContact O-CG 3.45Å; V81-L85 PolarHBondContact O-N 3.46Å; V81-L85 VanDerWaalsContact O-N 3.08Å; P82-L85 PolarHBondContact O-N 3.5Å; L83-L85 PolarHBondContact O-N 2.99Å; L85-A87 HydrophobicContact CB-CB 4.26Å; L85-A87 PolarHBondContact O-N 3.21Å; L85-T165 HydrophobicContact CD1-CG2 4.49Å; L85-V166 HydrophobicContact CD1-CB 4.44Å; L85-V166 HydrophobicContact CD1-CG2 4.12Å; L85-R170 HydrophobicContact CD1-CG 4.4Å; L85-R170 HydrophobicContact CD2-CB 4.3Å; L85-R170 HydrophobicContact CD2-CG 3.72Å; L85-S171 VanDerWaalsContact O-CB 3.31Å; L85-S171 WeakPolarHBondContact O-CB 3.43Å; L85-S171 PolarHBondContact O-N 3.24Å; L85-S171 PolarHBondContact O-OG 3.21Å; L85-V183 HydrophobicContact CD1-CG1 4.31Å; L85-V183 HydrophobicContact CD2-CG1 3.95Å; L85-V183 HydrophobicContact CD2-CG2 4.41Å; L85-V183 HydrophobicContact CG-CG1 4.2Å; L85-V183 HydrophobicContact CG-CG2 4.39Å |
| 86 | G | 92.2 | Very high | 96 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 22 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113 | P82 L83 S171 P507 | P82-G86 CarbonylContact O-C 3.26Å; P82-G86 PolarHBondContact O-N 2.96Å; L83-G86 PolarHBondContact O-N 2.95Å; L83-G86 VanDerWaalsContact O-N 3.1Å; G86-S171 VanDerWaalsContact CA-OG 3.3Å; G86-S171 WeakPolarHBondContact CA-OG 3.48Å; G86-S171 PolarHBondContact O-OG 3.35Å; G86-P507 WeakPolarHBondContact O-CD 3.48Å; G86-P507 WeakPolarHBondContact O-CG 3.34Å |
| 87 | A | 92.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -73.8 | 146.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | P82 L85 D89 M169 L506 | P82-A87 HydrophobicContact CB-CB 4.16Å; P82-A87 PolarHBondContact O-N 3.15Å; L85-A87 HydrophobicContact CB-CB 4.26Å; L85-A87 PolarHBondContact O-N 3.21Å; A87-D89 VanDerWaalsContact C-N 3.35Å; A87-M169 HydrophobicContact CB-CB 4.06Å; A87-M169 HydrophobicContact CB-CE 4.4Å; A87-M169 WeakPolarHBondContact CB-O 3.49Å; A87-L506 HydrophobicContact CB-CD2 4.39Å | ||
| 88 | P | 91.2 | Very high | 95.8 | Very high | 24 Ų | 24 | 29.2 Ų | 29.2 | 16% | 0.156 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -68.6 | -32.4 | 177.1 | 26.2 | -34.5 | 0 | 0 | 0 | 113.3 | M169 Y503 | P88-M169 HydrophobicContact CG-CE 4.1Å; P88-Y503 WeakPolarHBondContact CB-O 3.4Å |
| 89 | D | 93 | Very high | 95.8 | Very high | 15 Ų | 15 | 29.1 Ų | 29.1 | 8% | 0.08 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -162.8 | -174.5 | 178.3 | -148.7 | -30.9 | 0 | 0 | 0 | 109.4 | H10 A87 M169 | H10-D89 VanDerWaalsContact CB-OD1 3.28Å; H10-D89 WeakPolarHBondContact CB-OD1 3.37Å; H10-D89 IonicContact CD2-OD1 3.39Å; H10-D89 PolarHBondContact CD2-OD1 2.94Å; H10-D89 IonicContact CG-OD1 3.85Å; H10-D89 PolarHBondContact N-OD1 3.09Å; A87-D89 VanDerWaalsContact C-N 3.35Å; D89-M169 VanDerWaalsContact O-CE 3.24Å; D89-M169 WeakPolarHBondContact O-CE 3.35Å |
| 90 | M | 95.7 | Very high | 95.9 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | trans | -70.6 | 154.1 | 166.3 | -64.1 | -67.5 | -69.5 | 0 | 0 | 111.7 | H10 P82 F92 P93 N161 F162 T165 | H10-M90 HydrophobicContact CB-CG 3.79Å; P82-M90 HydrophobicContact CG-CG 3.99Å; P82-M90 HydrophobicContact CG-SD 3.54Å; P82-M90 VanDerWaalsContact CG-SD 3.54Å; M90-F92 VanDerWaalsContact C-N 3.33Å; M90-F92 PolarHBondContact O-N 3.37Å; M90-P93 WeakPolarHBondContact O-CD 3.5Å; M90-P93 WeakPolarHBondContact O-CG 3.39Å; M90-N161 HydrophobicContact CE-CB 4.28Å; M90-N161 WeakPolarHBondContact CE-ND2 3.45Å; M90-F162 HydrophobicContact CE-CD1 3.4Å; M90-F162 HydrophobicContact CE-CE1 3.5Å; M90-F162 VanDerWaalsContact CE-CE1 3.5Å; M90-F162 HydrophobicContact CE-CG 3.94Å; M90-F162 HydrophobicContact CE-CZ 4.15Å; M90-F162 HydrophobicContact SD-CD1 4.26Å; M90-F162 HydrophobicContact SD-CE1 4.06Å; M90-T165 HydrophobicContact SD-CG2 4.09Å | ||
| 91 | A | 96.5 | Very high | 95.9 | Very high | 27 Ų | 27 | 33.1 Ų | 33.1 | 22% | 0.223 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -60.7 | -36.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | P93 N161 T164 T165 M169 | A91-P93 WeakPolarHBondContact O-CD 3.39Å; A91-N161 PolarHBondContact N-OD1 3.5Å; A91-T164 HydrophobicContact CB-CG2 3.76Å; A91-T165 WeakPolarHBondContact CB-OG1 3.49Å; A91-T165 PolarHBondContact N-OG1 3.23Å; A91-M169 WeakPolarHBondContact CA-SD 3.09Å; A91-M169 HydrophobicContact CB-SD 3.68Å |
| 92 | F | 97.5 | Very high | 95.9 | Very high | 86 Ų | 86 | 34.6 Ų | 34.6 | 38% | 0.377 | 16% | 0.162 | S | C | . | . | trans | -124.4 | 78.5 | 178.7 | -55.7 | -56.1 | 0 | 0 | 0 | 111.3 | M90 R94 M95 N96 V160 N161 T164 | M90-F92 VanDerWaalsContact C-N 3.33Å; M90-F92 PolarHBondContact O-N 3.37Å; F92-R94 VanDerWaalsContact C-N 3.31Å; F92-R94 PolarHBondContact O-N 3.02Å; F92-M95 HydrophobicContact CB-CB 3.68Å; F92-M95 HydrophobicContact CB-SD 4.39Å; F92-M95 HydrophobicContact CD2-CE 4.47Å; F92-M95 HydrophobicContact CD2-SD 4.19Å; F92-M95 WeakPolarHBondContact O-CB 3.31Å; F92-M95 PolarHBondContact O-N 3.46Å; F92-M95 VanDerWaalsContact O-N 3.09Å; F92-N96 PolarHBondContact O-N 3.14Å; F92-V160 HydrophobicContact CE2-CG1 4.33Å; F92-N161 PolarHBondContact N-OD1 3.4Å; F92-T164 HydrophobicContact CE2-CG2 3.71Å; F92-T164 HydrophobicContact CZ-CG2 3.82Å | ||
| 93 | P | 95.5 | Very high | 96 | Very high | 41 Ų | 41 | 34.8 Ų | 34.8 | 27% | 0.266 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.8 | -36.9 | -173.2 | -27.9 | 36.1 | 0 | 0 | 0 | 114.7 | T8 M90 A91 N96 N97 | T8-P93 HydrophobicContact CG2-CB 4.17Å; T8-P93 WeakPolarHBondContact O-CB 3.45Å; M90-P93 WeakPolarHBondContact O-CD 3.5Å; M90-P93 WeakPolarHBondContact O-CG 3.39Å; A91-P93 WeakPolarHBondContact O-CD 3.39Å; P93-N96 VanDerWaalsContact O-CB 3.26Å; P93-N96 WeakPolarHBondContact O-CB 3.41Å; P93-N96 PolarHBondContact O-N 3.49Å; P93-N97 PolarHBondContact O-N 3.35Å; P93-N97 VanDerWaalsContact O-N 3.1Å |
| 94 | R | 96.8 | Very high | 96.2 | Very high | 215 Ų | 215 | 36.2 Ų | 36.2 | 81% | 0.811 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -72.9 | -37.1 | 177.3 | -64 | -178.1 | -175.2 | 178.2 | 1.9 | 113 | T8 F92 N96 N97 M98 | T8-R94 HydrophobicContact CG2-CG 4.09Å; F92-R94 VanDerWaalsContact C-N 3.31Å; F92-R94 PolarHBondContact O-N 3.02Å; R94-N96 PolarHBondContact O-N 3.12Å; R94-N97 PolarHBondContact O-N 3.4Å; R94-M98 PolarHBondContact O-N 3.36Å |
| 95 | M | 96.9 | Very high | 96.3 | Very high | 59 Ų | 59 | 39.1 Ų | 39.1 | 29% | 0.291 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.6 | -34.1 | 173.3 | -175.6 | -178.5 | -70.5 | 0 | 0 | 110.4 | F92 M98 S99 L157 V160 | F92-M95 HydrophobicContact CB-CB 3.68Å; F92-M95 HydrophobicContact CB-SD 4.39Å; F92-M95 HydrophobicContact CD2-CE 4.47Å; F92-M95 HydrophobicContact CD2-SD 4.19Å; F92-M95 WeakPolarHBondContact O-CB 3.31Å; F92-M95 PolarHBondContact O-N 3.46Å; F92-M95 VanDerWaalsContact O-N 3.09Å; M95-M98 PolarHBondContact O-N 2.99Å; M95-S99 PolarHBondContact O-N 2.8Å; M95-L157 HydrophobicContact CE-CD2 4.27Å; M95-L157 HydrophobicContact CG-CB 3.92Å; M95-L157 HydrophobicContact CG-CD2 4.03Å; M95-L157 HydrophobicContact CG-CG 4.43Å; M95-L157 HydrophobicContact SD-CB 4.36Å; M95-L157 HydrophobicContact SD-CD2 4.04Å; M95-V160 HydrophobicContact SD-CB 4.46Å; M95-V160 HydrophobicContact SD-CG1 4.34Å |
| 96 | N | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 174.1 | -154.4 | 36.3 | 0 | 0 | 0 | 113.2 | I13 N78 F92 P93 R94 S99 F100 N161 | I13-N96 HydrophobicContact CD1-CB 3.9Å; I13-N96 WeakPolarHBondContact CD1-ND2 3.37Å; N78-N96 PolarHBondContact OD1-ND2 3.47Å; N78-N96 PolarHBondContact OD1-OD1 2.79Å; F92-N96 PolarHBondContact O-N 3.14Å; P93-N96 VanDerWaalsContact O-CB 3.26Å; P93-N96 WeakPolarHBondContact O-CB 3.41Å; P93-N96 PolarHBondContact O-N 3.49Å; R94-N96 PolarHBondContact O-N 3.12Å; N96-S99 PolarHBondContact O-OG 3.04Å; N96-F100 PolarHBondContact O-N 3.32Å; N96-N161 VanDerWaalsContact CB-ND2 3.3Å; N96-N161 WeakPolarHBondContact CB-ND2 3.41Å; N96-N161 PolarHBondContact OD1-ND2 2.92Å |
| 97 | N | 96.9 | Very high | 96.8 | Very high | 27 Ų | 27 | 39.4 Ų | 39.4 | 14% | 0.144 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -45.3 | 173.5 | 179.2 | -90.7 | 0 | 0 | 0 | 110.8 | L5 S7 I13 P93 R94 S99 F100 W101 | L5-N97 PolarHBondContact O-ND2 3.38Å; S7-N97 WeakPolarHBondContact O-CB 3.39Å; S7-N97 PolarHBondContact O-ND2 3.21Å; I13-N97 HydrophobicContact CD1-CB 4.12Å; P93-N97 PolarHBondContact O-N 3.35Å; P93-N97 VanDerWaalsContact O-N 3.1Å; R94-N97 PolarHBondContact O-N 3.4Å; N97-S99 VanDerWaalsContact C-N 3.34Å; N97-S99 PolarHBondContact O-N 3.2Å; N97-F100 PolarHBondContact O-N 3.03Å; N97-W101 PolarHBondContact ND2-NE1 3.3Å; N97-W101 VanDerWaalsContact O-CD1 3.22Å; N97-W101 PolarHBondContact O-N 3.16Å; N97-W101 VanDerWaalsContact O-N 3.09Å; N97-W101 VanDerWaalsContact OD1-CD1 3.23Å |
| 98 | M | 97.1 | Very high | 97.1 | Very high | 100 Ų | 100 | 42.5 Ų | 42.5 | 49% | 0.493 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.9 | -39.1 | 177.9 | -176.4 | 175.7 | 178.3 | 0 | 0 | 112.6 | R94 M95 F100 W101 L102 L157 | R94-M98 PolarHBondContact O-N 3.36Å; M95-M98 PolarHBondContact O-N 2.99Å; M98-F100 VanDerWaalsContact C-N 3.31Å; M98-F100 PolarHBondContact O-N 3.48Å; M98-W101 PolarHBondContact O-N 3.17Å; M98-L102 HydrophobicContact CE-CD1 4.34Å; M98-L102 HydrophobicContact CG-CD1 4.33Å; M98-L102 WeakPolarHBondContact O-CG 3.4Å; M98-L102 PolarHBondContact O-N 3.49Å; M98-L157 HydrophobicContact CE-CD1 4.15Å; M98-L157 HydrophobicContact CG-CD1 4.08Å; M98-L157 HydrophobicContact SD-CD1 4.02Å |
| 99 | S | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -44.8 | 177 | 68.7 | 0 | 0 | 0 | 0 | 110.7 | Y17 M95 N96 N97 S154 | Y17-S99 VanDerWaalsContact OH-C 3.27Å; Y17-S99 PolarHBondContact OH-OG 3.31Å; M95-S99 PolarHBondContact O-N 2.8Å; N96-S99 PolarHBondContact O-OG 3.04Å; N97-S99 VanDerWaalsContact C-N 3.34Å; N97-S99 PolarHBondContact O-N 3.2Å; S99-S154 VanDerWaalsContact CB-O 3.32Å; S99-S154 WeakPolarHBondContact CB-O 3.3Å; S99-S154 VanDerWaalsContact O-CB 3.3Å; S99-S154 WeakPolarHBondContact O-CB 3.41Å; S99-S154 PolarHBondContact O-OG 2.89Å |
| 100 | F | 98.5 | Very high | 97.7 | Very high | 9 Ų | 9 | 43 Ų | 43 | 4% | 0.039 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -51 | 175.7 | 171.5 | -100.7 | 0 | 0 | 0 | 112.3 | I13 L16 Y17 F20 N96 N97 M98 L102 L103 P104 | I13-F100 HydrophobicContact CG2-CB 4.21Å; L16-F100 VanDerWaalsContact C-CE2 3.44Å; L16-F100 HydrophobicContact CB-CD1 4.13Å; L16-F100 HydrophobicContact CB-CD2 3.97Å; L16-F100 HydrophobicContact CB-CE1 3.8Å; L16-F100 HydrophobicContact CB-CE2 3.63Å; L16-F100 HydrophobicContact CB-CG 4.22Å; L16-F100 HydrophobicContact CB-CZ 3.56Å; L16-F100 HydrophobicContact CD1-CD1 3.93Å; L16-F100 HydrophobicContact CD1-CE1 3.83Å; L16-F100 HydrophobicContact CD1-CZ 4.43Å; L16-F100 HydrophobicContact CD2-CE1 4.42Å; L16-F100 HydrophobicContact CD2-CZ 4.43Å; L16-F100 HydrophobicContact CG-CE1 4.24Å; L16-F100 HydrophobicContact CG-CZ 4.36Å; L16-F100 WeakPolarHBondContact O-CE2 3.12Å; Y17-F100 AromaticContact CD1-CD2 3.97Å; Y17-F100 HydrophobicContact CD1-CD2 3.97Å; Y17-F100 HydrophobicContact CD2-CB 4.38Å; Y17-F100 HydrophobicContact CD2-CD2 4.06Å; Y17-F100 HydrophobicContact CE1-CB 4.49Å; Y17-F100 HydrophobicContact CE1-CD2 4.12Å; Y17-F100 HydrophobicContact CE2-CB 3.74Å; Y17-F100 HydrophobicContact CE2-CD2 4.16Å; Y17-F100 HydrophobicContact CE2-CG 4.41Å; Y17-F100 AromaticContact CG-CD2 3.95Å; Y17-F100 HydrophobicContact CG-CD2 3.95Å; Y17-F100 WeakPolarHBondContact OH-CA 3.24Å; Y17-F100 PolarHBondContact OH-N 3.38Å; Y17-F100 VanDerWaalsContact OH-N 3.12Å; F20-F100 HydrophobicContact CB-CE2 3.84Å; F20-F100 HydrophobicContact CB-CZ 4.36Å; F20-F100 HydrophobicContact CG-CE2 4.34Å; N96-F100 PolarHBondContact O-N 3.32Å; N97-F100 PolarHBondContact O-N 3.03Å; M98-F100 VanDerWaalsContact C-N 3.31Å; M98-F100 PolarHBondContact O-N 3.48Å; F100-L102 PolarHBondContact O-N 2.65Å; F100-L102 VanDerWaalsContact O-N 3.13Å; F100-L103 WeakPolarHBondContact O-CB 3.45Å; F100-L103 PolarHBondContact O-N 2.84Å; F100-P104 VanDerWaalsContact O-CD 3.28Å; F100-P104 WeakPolarHBondContact O-CD 3.36Å |
| 101 | W | 97.9 | Very high | 97.8 | Very high | 87 Ų | 87 | 45 Ų | 45 | 33% | 0.33 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -69.9 | -11.4 | -171.3 | -77 | 111.9 | 0 | 0 | 0 | 115.2 | L5 L16 N97 M98 L103 P104 P105 | L5-W101 HydrophobicContact CB-CZ2 4.46Å; L5-W101 HydrophobicContact CD1-CD2 4.32Å; L5-W101 HydrophobicContact CD1-CH2 3.82Å; L5-W101 HydrophobicContact CD1-CZ2 3.59Å; L5-W101 HydrophobicContact CD1-CZ3 4.27Å; L5-W101 PolarHBondContact O-NE1 3.36Å; L16-W101 HydrophobicContact CD1-CZ2 4.44Å; N97-W101 PolarHBondContact ND2-NE1 3.3Å; N97-W101 VanDerWaalsContact O-CD1 3.22Å; N97-W101 PolarHBondContact O-N 3.16Å; N97-W101 VanDerWaalsContact O-N 3.09Å; N97-W101 VanDerWaalsContact OD1-CD1 3.23Å; M98-W101 PolarHBondContact O-N 3.17Å; W101-L103 VanDerWaalsContact C-N 3.33Å; W101-P104 HydrophobicContact CE3-CG 4.26Å; W101-P104 HydrophobicContact CZ3-CG 4.47Å; W101-P105 WeakPolarHBondContact O-CD 3.22Å |
| 102 | L | 98.4 | Very high | 97.9 | Very high | 30 Ų | 30 | 46.9 Ų | 46.9 | 16% | 0.157 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -21.2 | 169.6 | -74.7 | 170.6 | 0 | 0 | 0 | 113 | M98 F100 A106 L150 I153 L157 | M98-L102 HydrophobicContact CE-CD1 4.34Å; M98-L102 HydrophobicContact CG-CD1 4.33Å; M98-L102 WeakPolarHBondContact O-CG 3.4Å; M98-L102 PolarHBondContact O-N 3.49Å; F100-L102 PolarHBondContact O-N 2.65Å; F100-L102 VanDerWaalsContact O-N 3.13Å; L102-A106 WeakPolarHBondContact O-CB 3.39Å; L102-A106 PolarHBondContact O-N 2.93Å; L102-L150 HydrophobicContact CD2-CD2 4.25Å; L102-I153 HydrophobicContact CD1-CB 4.26Å; L102-I153 HydrophobicContact CD1-CG2 3.68Å; L102-L157 HydrophobicContact CD1-CD1 3.96Å |
| 103 | L | 98.7 | Very high | 98 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.5 | -43.4 | -178.5 | -65.8 | -179.2 | 0 | 0 | 0 | 114.5 | Y17 F20 F66 P70 F100 W101 A106 L107 A151 | Y17-L103 HydrophobicContact CD1-CD1 3.97Å; Y17-L103 HydrophobicContact CE1-CD1 3.47Å; Y17-L103 VanDerWaalsContact CE1-CD1 3.47Å; F20-L103 HydrophobicContact CD1-CB 4.44Å; F20-L103 HydrophobicContact CD1-CD1 4.16Å; F20-L103 HydrophobicContact CE1-CB 3.84Å; F20-L103 HydrophobicContact CE1-CD1 3.96Å; F20-L103 HydrophobicContact CE1-CG 4.47Å; F20-L103 HydrophobicContact CE2-CB 4.22Å; F20-L103 HydrophobicContact CZ-CB 3.7Å; F66-L103 HydrophobicContact CE1-CD2 4.44Å; P70-L103 HydrophobicContact CB-CD1 4.15Å; P70-L103 HydrophobicContact CG-CD1 3.9Å; F100-L103 WeakPolarHBondContact O-CB 3.45Å; F100-L103 PolarHBondContact O-N 2.84Å; W101-L103 VanDerWaalsContact C-N 3.33Å; L103-A106 WeakPolarHBondContact O-CB 3.46Å; L103-A106 PolarHBondContact O-N 3.13Å; L103-L107 PolarHBondContact O-N 3.32Å; L103-A151 HydrophobicContact CD2-CB 4.38Å |
| 104 | P | 98.5 | Very high | 98 | Very high | 34 Ų | 34 | 42.9 Ų | 42.9 | 22% | 0.221 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.5 | -45 | 177.6 | -22 | 31.7 | 0 | 0 | 0 | 114 | F20 F100 W101 A106 L107 S108 | F20-P104 HydrophobicContact CD2-CG 4.28Å; F20-P104 HydrophobicContact CE2-CB 4.45Å; F20-P104 HydrophobicContact CE2-CG 4.21Å; F100-P104 VanDerWaalsContact O-CD 3.28Å; F100-P104 WeakPolarHBondContact O-CD 3.36Å; W101-P104 HydrophobicContact CE3-CG 4.26Å; W101-P104 HydrophobicContact CZ3-CG 4.47Å; P104-A106 VanDerWaalsContact C-N 3.34Å; P104-A106 PolarHBondContact O-N 3.24Å; P104-L107 PolarHBondContact O-N 2.95Å; P104-S108 WeakPolarHBondContact O-CB 3.36Å; P104-S108 PolarHBondContact O-N 2.84Å; P104-S108 PolarHBondContact O-OG 3.25Å |
| 105 | P | 98.6 | Very high | 98 | Very high | 61 Ų | 61 | 39.8 Ų | 39.8 | 40% | 0.396 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.7 | -40.4 | 171.2 | -24.1 | 35.2 | 0 | 0 | 0 | 112.8 | W101 S108 L109 L150 | W101-P105 WeakPolarHBondContact O-CD 3.22Å; P105-S108 WeakPolarHBondContact O-CB 3.43Å; P105-S108 PolarHBondContact O-N 3.48Å; P105-L109 WeakPolarHBondContact O-CG 3.5Å; P105-L109 PolarHBondContact O-N 3Å; P105-L150 HydrophobicContact CB-CD1 4.11Å |
| 106 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -49 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F66 L102 L103 P104 S108 L109 L110 S147 L150 A151 | F66-A106 HydrophobicContact CE1-CB 3.74Å; F66-A106 HydrophobicContact CZ-CB 3.91Å; L102-A106 WeakPolarHBondContact O-CB 3.39Å; L102-A106 PolarHBondContact O-N 2.93Å; L103-A106 WeakPolarHBondContact O-CB 3.46Å; L103-A106 PolarHBondContact O-N 3.13Å; P104-A106 VanDerWaalsContact C-N 3.34Å; P104-A106 PolarHBondContact O-N 3.24Å; A106-S108 VanDerWaalsContact C-N 3.29Å; A106-S108 PolarHBondContact O-N 3.23Å; A106-L109 PolarHBondContact O-N 2.81Å; A106-L110 PolarHBondContact O-N 3.42Å; A106-L110 VanDerWaalsContact O-N 3.09Å; A106-S147 VanDerWaalsContact O-CB 3.28Å; A106-S147 WeakPolarHBondContact O-CB 3.27Å; A106-S147 PolarHBondContact O-OG 2.95Å; A106-L150 HydrophobicContact CB-CB 3.68Å; A106-A151 HydrophobicContact CB-CB 4.21Å |
| 107 | L | 98.7 | Very high | 97.8 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -37.6 | 177.5 | -178.4 | 53.3 | 0 | 0 | 0 | 111.5 | F20 W23 A24 I62 F66 L103 P104 L109 L110 L111 | F20-L107 HydrophobicContact CE2-CB 4.25Å; F20-L107 HydrophobicContact CE2-CD2 3.71Å; F20-L107 HydrophobicContact CZ-CB 3.96Å; F20-L107 HydrophobicContact CZ-CD2 3.62Å; F20-L107 HydrophobicContact CZ-CG 4.45Å; W23-L107 HydrophobicContact CE3-CD2 3.92Å; W23-L107 HydrophobicContact CZ3-CD2 3.56Å; W23-L107 HydrophobicContact CZ3-CG 4.35Å; A24-L107 HydrophobicContact CB-CD2 4.02Å; I62-L107 HydrophobicContact CD1-CD1 4.45Å; I62-L107 HydrophobicContact CG1-CD1 4.03Å; F66-L107 HydrophobicContact CB-CD1 4.27Å; F66-L107 HydrophobicContact CD1-CB 3.78Å; F66-L107 HydrophobicContact CD1-CD1 4.23Å; F66-L107 HydrophobicContact CD1-CG 4.41Å; F66-L107 HydrophobicContact CD2-CD1 4.05Å; F66-L107 HydrophobicContact CE1-CB 3.76Å; F66-L107 HydrophobicContact CE2-CD1 4.46Å; F66-L107 HydrophobicContact CG-CB 4.34Å; F66-L107 HydrophobicContact CG-CD1 3.9Å; F66-L107 HydrophobicContact CZ-CB 4.33Å; L103-L107 PolarHBondContact O-N 3.32Å; P104-L107 PolarHBondContact O-N 2.95Å; L107-L109 PolarHBondContact O-N 3.47Å; L107-L110 HydrophobicContact CD1-CD2 4.42Å; L107-L110 WeakPolarHBondContact O-CB 3.49Å; L107-L110 PolarHBondContact O-N 3.4Å; L107-L111 HydrophobicContact CD1-CD1 4.5Å; L107-L111 HydrophobicContact CD1-CG 4.24Å; L107-L111 HydrophobicContact CG-CD1 4.31Å; L107-L111 HydrophobicContact CG-CG 4.49Å; L107-L111 WeakPolarHBondContact O-CG 3.29Å; L107-L111 PolarHBondContact O-N 3.29Å |
| 108 | S | 98.6 | Very high | 97.7 | Very high | 66 Ų | 66 | 50.8 Ų | 50.8 | 46% | 0.462 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.2 | -45 | 176.4 | -57 | 0 | 0 | 0 | 0 | 111.2 | P104 P105 A106 L110 L111 V112 | P104-S108 WeakPolarHBondContact O-CB 3.36Å; P104-S108 PolarHBondContact O-N 2.84Å; P104-S108 PolarHBondContact O-OG 3.25Å; P105-S108 WeakPolarHBondContact O-CB 3.43Å; P105-S108 PolarHBondContact O-N 3.48Å; A106-S108 VanDerWaalsContact C-N 3.29Å; A106-S108 PolarHBondContact O-N 3.23Å; S108-L110 VanDerWaalsContact C-N 3.32Å; S108-L110 PolarHBondContact O-N 3.06Å; S108-L111 PolarHBondContact O-N 3.02Å; S108-V112 VanDerWaalsContact O-CG2 3.26Å; S108-V112 WeakPolarHBondContact O-CG2 3.34Å; S108-V112 PolarHBondContact O-N 3.32Å |
| 109 | L | 98.7 | Very high | 97.7 | Very high | 48 Ų | 48 | 46.1 Ų | 46.1 | 25% | 0.251 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.9 | -39.5 | 174.6 | -72 | 174.7 | 0 | 0 | 0 | 112.3 | P105 A106 L107 V112 S113 L143 F146 L150 | P105-L109 WeakPolarHBondContact O-CG 3.5Å; P105-L109 PolarHBondContact O-N 3Å; A106-L109 PolarHBondContact O-N 2.81Å; L107-L109 PolarHBondContact O-N 3.47Å; L109-V112 PolarHBondContact O-N 3.33Å; L109-S113 WeakPolarHBondContact O-CB 3.32Å; L109-S113 PolarHBondContact O-N 3.36Å; L109-L143 HydrophobicContact CD2-CD2 3.98Å; L109-F146 HydrophobicContact CD1-CB 3.89Å; L109-L150 HydrophobicContact CD1-CD1 3.66Å |
| 110 | L | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 176 | -176.9 | 67.3 | 0 | 0 | 0 | 111.6 | F61 I62 F66 A106 L107 S108 S113 S114 S147 | F61-L110 HydrophobicContact CB-CD1 4.11Å; F61-L110 HydrophobicContact CB-CD2 3.58Å; F61-L110 HydrophobicContact CD2-CD1 3.79Å; F61-L110 HydrophobicContact CG-CD1 4.22Å; I62-L110 HydrophobicContact CD1-CD2 4.48Å; I62-L110 HydrophobicContact CG1-CD2 3.68Å; F66-L110 HydrophobicContact CD2-CD2 3.99Å; F66-L110 HydrophobicContact CE2-CD2 3.69Å; A106-L110 PolarHBondContact O-N 3.42Å; A106-L110 VanDerWaalsContact O-N 3.09Å; L107-L110 HydrophobicContact CD1-CD2 4.42Å; L107-L110 WeakPolarHBondContact O-CB 3.49Å; L107-L110 PolarHBondContact O-N 3.4Å; S108-L110 VanDerWaalsContact C-N 3.32Å; S108-L110 PolarHBondContact O-N 3.06Å; L110-S113 WeakPolarHBondContact O-CB 3.43Å; L110-S113 PolarHBondContact O-N 2.91Å; L110-S113 PolarHBondContact O-OG 2.82Å; L110-S114 PolarHBondContact O-N 3.43Å; L110-S147 WeakPolarHBondContact CB-OG 3.45Å |
| 111 | L | 98.3 | Very high | 97.6 | Very high | 43 Ų | 43 | 46.1 Ų | 46.1 | 23% | 0.225 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.5 | -42.4 | 178.2 | -65.9 | 176.9 | 0 | 0 | 0 | 111.1 | W23 V27 I62 L107 S108 S113 S114 | W23-L111 HydrophobicContact CH2-CD1 4.05Å; W23-L111 HydrophobicContact CZ3-CD1 4.36Å; V27-L111 HydrophobicContact CG1-CD2 4.29Å; I62-L111 HydrophobicContact CD1-CD2 4.07Å; L107-L111 HydrophobicContact CD1-CD1 4.5Å; L107-L111 HydrophobicContact CD1-CG 4.24Å; L107-L111 HydrophobicContact CG-CD1 4.31Å; L107-L111 HydrophobicContact CG-CG 4.49Å; L107-L111 WeakPolarHBondContact O-CG 3.29Å; L107-L111 PolarHBondContact O-N 3.29Å; S108-L111 PolarHBondContact O-N 3.02Å; L111-S113 VanDerWaalsContact C-N 3.28Å; L111-S113 PolarHBondContact O-N 3.23Å; L111-S114 PolarHBondContact O-N 3.41Å; L111-S114 VanDerWaalsContact O-N 3.14Å; L111-S114 PolarHBondContact O-OG 3.5Å |
| 112 | V | 98.3 | Very high | 97.5 | Very high | 67 Ų | 67 | 42.4 Ų | 42.4 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.4 | -35.9 | 174.1 | 178.2 | 0 | 0 | 0 | 0 | 111 | S108 L109 S114 M115 V116 L143 | S108-V112 VanDerWaalsContact O-CG2 3.26Å; S108-V112 WeakPolarHBondContact O-CG2 3.34Å; S108-V112 PolarHBondContact O-N 3.32Å; L109-V112 PolarHBondContact O-N 3.33Å; V112-S114 PolarHBondContact O-N 3.37Å; V112-S114 VanDerWaalsContact O-N 3.15Å; V112-M115 PolarHBondContact O-N 3.38Å; V112-V116 HydrophobicContact CG1-CG2 3.7Å; V112-V116 WeakPolarHBondContact O-CG2 3.22Å; V112-V116 PolarHBondContact O-N 3.25Å; V112-V116 VanDerWaalsContact O-N 3.09Å; V112-L143 HydrophobicContact CG1-CD1 3.87Å |
| 113 | S | 98.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.028 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.3 | -28.5 | 175.8 | 84.4 | 0 | 0 | 0 | 0 | 113.3 | L109 L110 L111 G119 A120 S140 | L109-S113 WeakPolarHBondContact O-CB 3.32Å; L109-S113 PolarHBondContact O-N 3.36Å; L110-S113 WeakPolarHBondContact O-CB 3.43Å; L110-S113 PolarHBondContact O-N 2.91Å; L110-S113 PolarHBondContact O-OG 2.82Å; L111-S113 VanDerWaalsContact C-N 3.28Å; L111-S113 PolarHBondContact O-N 3.23Å; S113-G119 VanDerWaalsContact O-CA 3.29Å; S113-G119 WeakPolarHBondContact O-CA 3.34Å; S113-A120 PolarHBondContact O-N 2.94Å; S113-S140 WeakPolarHBondContact CB-O 2.96Å; S113-S140 WeakPolarHBondContact O-CB 3.4Å |
| 114 | S | 96.7 | Very high | 97.3 | Very high | 39 Ų | 39 | 43.5 Ų | 43.5 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -81.3 | -15.3 | 176.1 | 72 | 0 | 0 | 0 | 0 | 113.9 | L110 L111 V112 | L110-S114 PolarHBondContact O-N 3.43Å; L111-S114 PolarHBondContact O-N 3.41Å; L111-S114 VanDerWaalsContact O-N 3.14Å; L111-S114 PolarHBondContact O-OG 3.5Å; V112-S114 PolarHBondContact O-N 3.37Å; V112-S114 VanDerWaalsContact O-N 3.15Å |
| 115 | M | 95.9 | Very high | 97.2 | Very high | 151 Ų | 151 | 42 Ų | 42 | 74% | 0.744 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -108.1 | -8.8 | -175 | -61.7 | 177.2 | -179.8 | 0 | 0 | 113.5 | V112 | V112-M115 PolarHBondContact O-N 3.38Å |
| 116 | V | 96.4 | Very high | 97.2 | Very high | 40 Ų | 40 | 39.2 Ų | 39.2 | 24% | 0.242 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -98.2 | 131.8 | -179.2 | 169 | 0 | 0 | 0 | 0 | 109.8 | V112 N118 G119 A139 S140 L143 | V112-V116 HydrophobicContact CG1-CG2 3.7Å; V112-V116 WeakPolarHBondContact O-CG2 3.22Å; V112-V116 PolarHBondContact O-N 3.25Å; V112-V116 VanDerWaalsContact O-N 3.09Å; V116-N118 PolarHBondContact O-N 3.45Å; V116-G119 PolarHBondContact O-N 3.41Å; V116-A139 HydrophobicContact CG1-CB 4.37Å; V116-S140 WeakPolarHBondContact O-CB 3.4Å; V116-L143 HydrophobicContact CB-CD1 4.02Å; V116-L143 HydrophobicContact CG1-CD1 4.27Å; V116-L143 HydrophobicContact CG2-CD1 3.83Å |
| 117 | E | 94.1 | Very high | 97.1 | Very high | 147 Ų | 147 | 40.9 Ų | 40.9 | 69% | 0.687 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | -130.9 | -175.2 | -56.6 | -59.3 | 150.1 | 0 | 0 | 110.9 | G119 | E117-G119 VanDerWaalsContact C-N 3.27Å; E117-G119 PolarHBondContact O-N 3.43Å |
| 118 | N | 93.5 | Very high | 97.1 | Very high | 130 Ų | 130 | 41.2 Ų | 41.2 | 70% | 0.695 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 12.1 | 177 | -64 | -26.8 | 0 | 0 | 0 | 113.5 | Q50 V54 V116 | Q50-N118 HydrophobicContact CG-CB 4.14Å; Q50-N118 WeakPolarHBondContact CG-O 3.2Å; Q50-N118 PolarHBondContact NE2-O 2.87Å; V54-N118 WeakPolarHBondContact CG2-O 3.35Å; V116-N118 PolarHBondContact O-N 3.45Å |
| 119 | G | 97.5 | Very high | 97 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | trans | 70.3 | 171.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q50 S113 V116 E117 G121 H136 S140 | Q50-G119 PolarHBondContact NE2-O 2.88Å; S113-G119 VanDerWaalsContact O-CA 3.29Å; S113-G119 WeakPolarHBondContact O-CA 3.34Å; V116-G119 PolarHBondContact O-N 3.41Å; E117-G119 VanDerWaalsContact C-N 3.27Å; E117-G119 PolarHBondContact O-N 3.43Å; G119-G121 PolarHBondContact O-N 3.18Å; G119-H136 PolarHBondContact O-CD2 2.96Å; G119-S140 VanDerWaalsContact C-OG 3.28Å; G119-S140 WeakPolarHBondContact O-CB 3.3Å; G119-S140 PolarHBondContact O-OG 3.43Å | ||
| 120 | A | 97.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 43.5 Ų | 43.5 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | trans | -90 | 93.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.3 | T57 S113 V141 A144 | T57-A120 VanDerWaalsContact CB-O 3.28Å; T57-A120 WeakPolarHBondContact CB-O 3.3Å; T57-A120 WeakPolarHBondContact CG2-O 3.31Å; T57-A120 PolarHBondContact OG1-O 2.85Å; S113-A120 PolarHBondContact O-N 2.94Å; A120-V141 HydrophobicContact CB-CG2 4.46Å; A120-A144 HydrophobicContact CB-CB 4.2Å | ||
| 121 | G | 96.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | trans | -102.9 | 34 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G119 H136 | G119-G121 PolarHBondContact O-N 3.18Å; G121-H136 PolarHBondContact N-NE2 2.97Å; G121-H136 VanDerWaalsContact N-NE2 3.18Å | ||
| 122 | T | 96.3 | Very high | 96.7 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -92.2 | -4.3 | -169.9 | 57 | 0 | 0 | 0 | 0 | 114 | L130 H136 V141 | T122-L130 HydrophobicContact CG2-CG 4.34Å; T122-H136 VanDerWaalsContact CG2-CE1 3.47Å; T122-H136 WeakPolarHBondContact CG2-CE1 3.43Å; T122-V141 HydrophobicContact CG2-CG2 3.95Å |
| 123 | G | 96.3 | Very high | 96.5 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 14% | 0.144 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 157.7 | -161.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | T57 T125 V126 | T57-G123 VanDerWaalsContact OG1-CA 3.23Å; T57-G123 WeakPolarHBondContact OG1-CA 3.49Å; T57-G123 PolarHBondContact OG1-N 3.44Å; G123-T125 PolarHBondContact O-N 3.32Å; G123-V126 PolarHBondContact O-N 3.49Å |
| 124 | W | 96.7 | Very high | 96.2 | Very high | 42 Ų | 42 | 48 Ų | 48 | 16% | 0.159 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -10.7 | -178.1 | 72.3 | -84 | 0 | 0 | 0 | 114.4 | A60 F61 I64 F233 W234 F375 | A60-W124 HydrophobicContact CB-CB 3.6Å; A60-W124 HydrophobicContact CB-CG 3.73Å; F61-W124 HydrophobicContact CD1-CB 4.13Å; F61-W124 HydrophobicContact CE1-CB 3.97Å; F61-W124 WeakPolarHBondContact CE1-O 3.43Å; F61-W124 HydrophobicContact CE2-CB 4.42Å; F61-W124 HydrophobicContact CG-CB 4.4Å; F61-W124 HydrophobicContact CZ-CB 4.14Å; F61-W124 VanDerWaalsContact CZ-O 3.23Å; F61-W124 WeakPolarHBondContact CZ-O 3.38Å; I64-W124 HydrophobicContact CD1-CD2 4.23Å; I64-W124 HydrophobicContact CD1-CE3 3.97Å; I64-W124 HydrophobicContact CD1-CH2 4.5Å; I64-W124 HydrophobicContact CD1-CZ3 4.09Å; W124-F233 HydrophobicContact CD2-CZ 4.5Å; W124-F233 AromaticContact CE3-CZ 3.73Å; W124-F233 HydrophobicContact CE3-CZ 3.73Å; W124-F233 HydrophobicContact CH2-CE1 4.15Å; W124-F233 AromaticContact CH2-CZ 3.96Å; W124-F233 HydrophobicContact CH2-CZ 3.96Å; W124-F233 HydrophobicContact CZ3-CE1 4.09Å; W124-F233 HydrophobicContact CZ3-CE2 4.45Å; W124-F233 AromaticContact CZ3-CZ 3.44Å; W124-F233 HydrophobicContact CZ3-CZ 3.44Å; W124-F233 VanDerWaalsContact CZ3-CZ 3.44Å; W124-W234 AromaticContact CH2-CH2 3.88Å; W124-W234 HydrophobicContact CH2-CH2 3.88Å; W124-W234 AromaticContact CH2-CZ3 3.83Å; W124-W234 HydrophobicContact CH2-CZ3 3.83Å; W124-W234 AromaticContact CZ2-CH2 3.77Å; W124-W234 HydrophobicContact CZ2-CH2 3.77Å; W124-W234 HydrophobicContact CZ2-CZ3 4.18Å; W124-F375 HydrophobicContact CZ2-CZ 4.46Å |
| 125 | T | 97.3 | Very high | 96.1 | Very high | 3 Ų | 3 | 48.8 Ų | 48.8 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -14.4 | 176.2 | 64.5 | 0 | 0 | 0 | 0 | 113.3 | G123 Y127 Y229 F233 W234 | G123-T125 PolarHBondContact O-N 3.32Å; T125-Y127 VanDerWaalsContact C-N 3.29Å; T125-Y127 VanDerWaalsContact CB-CE1 3.45Å; T125-Y127 VanDerWaalsContact CB-CZ 3.45Å; T125-Y127 HydrophobicContact CG2-CE1 4.32Å; T125-Y127 HydrophobicContact CG2-CE2 4.38Å; T125-Y127 WeakPolarHBondContact O-CD1 3.29Å; T125-Y127 PolarHBondContact O-N 2.81Å; T125-Y127 WeakPolarHBondContact OG1-CD2 3.49Å; T125-Y127 VanDerWaalsContact OG1-CE2 3.28Å; T125-Y127 WeakPolarHBondContact OG1-CE2 3.38Å; T125-Y229 WeakPolarHBondContact O-CE1 3.47Å; T125-Y229 PolarHBondContact O-OH 3.46Å; T125-F233 HydrophobicContact CG2-CD1 4.43Å; T125-F233 HydrophobicContact CG2-CE1 3.6Å; T125-F233 HydrophobicContact CG2-CZ 3.76Å; T125-W234 HydrophobicContact CG2-CH2 4.24Å; T125-W234 HydrophobicContact CG2-CZ2 4.02Å |
| 126 | V | 97.7 | Very high | 96.1 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 40.9 | 172.5 | -157.1 | 0 | 0 | 0 | 0 | 113.6 | F61 G123 S131 V141 L207 Y229 | F61-V126 HydrophobicContact CE2-CG2 4.25Å; F61-V126 HydrophobicContact CZ-CG2 3.54Å; G123-V126 PolarHBondContact O-N 3.49Å; V126-S131 VanDerWaalsContact O-CB 3.29Å; V126-S131 WeakPolarHBondContact O-CB 3.46Å; V126-S131 PolarHBondContact O-OG 3.1Å; V126-V141 HydrophobicContact CG1-CG1 4.01Å; V126-L207 HydrophobicContact CG1-CD2 3.73Å; V126-Y229 PolarHBondContact O-OH 3.46Å |
| 127 | Y | 97.7 | Very high | 95.9 | Very high | 35 Ų | 35 | 43.5 Ų | 43.5 | 14% | 0.137 | 27% | 0.267 | C | S | . | . | trans | -69 | 130.9 | -175.9 | -65.3 | -29.1 | 0 | 0 | 0 | 113.7 | T125 L130 S131 Y229 Q230 F233 W234 | T125-Y127 VanDerWaalsContact C-N 3.29Å; T125-Y127 VanDerWaalsContact CB-CE1 3.45Å; T125-Y127 VanDerWaalsContact CB-CZ 3.45Å; T125-Y127 HydrophobicContact CG2-CE1 4.32Å; T125-Y127 HydrophobicContact CG2-CE2 4.38Å; T125-Y127 WeakPolarHBondContact O-CD1 3.29Å; T125-Y127 PolarHBondContact O-N 2.81Å; T125-Y127 WeakPolarHBondContact OG1-CD2 3.49Å; T125-Y127 VanDerWaalsContact OG1-CE2 3.28Å; T125-Y127 WeakPolarHBondContact OG1-CE2 3.38Å; Y127-L130 WeakPolarHBondContact O-CB 3.3Å; Y127-L130 PolarHBondContact O-N 3.24Å; Y127-S131 PolarHBondContact O-N 3Å; Y127-S131 PolarHBondContact O-OG 3.34Å; Y127-Y229 AromaticContact CD1-CD1 3.67Å; Y127-Y229 HydrophobicContact CD1-CD1 3.67Å; Y127-Y229 AromaticContact CD1-CE1 3.74Å; Y127-Y229 HydrophobicContact CD1-CE1 3.74Å; Y127-Y229 HydrophobicContact CE1-CD1 4.27Å; Y127-Y229 HydrophobicContact CE1-CE1 4.29Å; Y127-Q230 HydrophobicContact CD1-CG 4.06Å; Y127-Q230 HydrophobicContact CE1-CB 4.5Å; Y127-Q230 HydrophobicContact CE1-CG 3.85Å; Y127-F233 HydrophobicContact CE1-CD1 4.16Å; Y127-F233 HydrophobicContact CE1-CG 4.41Å; Y127-W234 AromaticContact CZ-NE1 3.85Å; Y127-W234 WeakPolarHBondContact OH-CZ2 3.21Å; Y127-W234 PolarHBondContact OH-NE1 2.97Å | ||
| 128 | P | 97.6 | Very high | 96 | Very high | 11 Ų | 11 | 37.6 Ų | 37.6 | 7% | 0.071 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | 153 | 162 | 30.1 | -31.7 | 0 | 0 | 0 | 110.2 | L130 S131 L207 F218 Y229 | P128-L130 VanDerWaalsContact C-N 3.35Å; P128-S131 VanDerWaalsContact N-OG 3.11Å; P128-L207 HydrophobicContact CB-CD1 4.26Å; P128-F218 HydrophobicContact CB-CB 4.01Å; P128-F218 HydrophobicContact CG-CB 3.63Å; P128-F218 HydrophobicContact CG-CD2 4.16Å; P128-F218 HydrophobicContact CG-CG 3.9Å; P128-Y229 HydrophobicContact CG-CD2 4.03Å; P128-Y229 HydrophobicContact CG-CG 3.83Å |
| 129 | P | 96.4 | Very high | 96.1 | Very high | 78 Ų | 78 | 33.6 Ų | 33.6 | 51% | 0.506 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -81.4 | -3.9 | 1.9 | 33.7 | -36.1 | 0 | 0 | 0 | 114.1 | S131 A132 | P129-S131 VanDerWaalsContact C-N 3.28Å; P129-S131 PolarHBondContact O-N 2.7Å; P129-A132 WeakPolarHBondContact O-CB 3.5Å; P129-A132 PolarHBondContact O-N 3.08Å |
| 130 | L | 96.8 | Very high | 96.2 | Very high | 85 Ų | 85 | 33.7 Ų | 33.7 | 45% | 0.445 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -37.3 | -179.8 | -178 | 63.3 | 0 | 0 | 0 | 112.1 | T122 Y127 P128 A135 H136 | T122-L130 HydrophobicContact CG2-CG 4.34Å; Y127-L130 WeakPolarHBondContact O-CB 3.3Å; Y127-L130 PolarHBondContact O-N 3.24Å; P128-L130 VanDerWaalsContact C-N 3.35Å; L130-A135 HydrophobicContact CD1-CB 3.98Å; L130-A135 WeakPolarHBondContact O-CB 3.49Å; L130-H136 PolarHBondContact O-ND1 3.38Å |
| 131 | S | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -4.9 | 174.4 | 64.7 | 0 | 0 | 0 | 0 | 114.7 | V126 Y127 P128 P129 L207 R211 | V126-S131 VanDerWaalsContact O-CB 3.29Å; V126-S131 WeakPolarHBondContact O-CB 3.46Å; V126-S131 PolarHBondContact O-OG 3.1Å; Y127-S131 PolarHBondContact O-N 3Å; Y127-S131 PolarHBondContact O-OG 3.34Å; P128-S131 VanDerWaalsContact N-OG 3.11Å; P129-S131 VanDerWaalsContact C-N 3.28Å; P129-S131 PolarHBondContact O-N 2.7Å; S131-L207 WeakPolarHBondContact OG-CD2 3.42Å; S131-R211 WeakPolarHBondContact O-CD 3.35Å; S131-R211 PolarHBondContact O-NH1 3.42Å |
| 132 | A | 96.1 | Very high | 96.3 | Very high | 20 Ų | 20 | 34 Ų | 34 | 17% | 0.165 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -80.2 | 172 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | P129 I134 A135 H136 | P129-A132 WeakPolarHBondContact O-CB 3.5Å; P129-A132 PolarHBondContact O-N 3.08Å; A132-I134 PolarHBondContact O-N 2.91Å; A132-I134 VanDerWaalsContact O-N 3.09Å; A132-A135 PolarHBondContact O-N 3.4Å; A132-H136 PolarHBondContact O-N 3Å |
| 133 | G | 92.6 | Very high | 96.4 | Very high | 43 Ų | 43 | 35.2 Ų | 35.2 | 44% | 0.443 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | G137 | G133-G137 WeakPolarHBondContact O-CA 3.48Å; G133-G137 PolarHBondContact O-N 2.96Å |
| 134 | I | 92.3 | Very high | 96.5 | Very high | 146 Ų | 146 | 34.7 Ų | 34.7 | 75% | 0.749 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -41.3 | 178.7 | -62.4 | 172.5 | 0 | 0 | 0 | 111.7 | A132 | A132-I134 PolarHBondContact O-N 2.91Å; A132-I134 VanDerWaalsContact O-N 3.09Å |
| 135 | A | 94.7 | Very high | 96.6 | Very high | 57 Ų | 57 | 32.8 Ų | 32.8 | 47% | 0.471 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -30 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L130 A132 | L130-A135 HydrophobicContact CD1-CB 3.98Å; L130-A135 WeakPolarHBondContact O-CB 3.49Å; A132-A135 PolarHBondContact O-N 3.4Å |
| 136 | H | 96.1 | Very high | 96.7 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 6% | 0.056 | 25% | 0.245 | C | C | . | . | trans | -126.7 | 74 | 175.1 | -74.3 | 80.2 | 0 | 0 | 0 | 110.4 | Q50 G119 G121 T122 L130 A132 G138 V141 R211 | Q50-H136 PolarHBondContact NE2-NE2 3.47Å; Q50-H136 VanDerWaalsContact NE2-NE2 3.16Å; G119-H136 PolarHBondContact O-CD2 2.96Å; G121-H136 PolarHBondContact N-NE2 2.97Å; G121-H136 VanDerWaalsContact N-NE2 3.18Å; T122-H136 VanDerWaalsContact CG2-CE1 3.47Å; T122-H136 WeakPolarHBondContact CG2-CE1 3.43Å; L130-H136 PolarHBondContact O-ND1 3.38Å; A132-H136 PolarHBondContact O-N 3Å; H136-G138 PolarHBondContact O-N 3.15Å; H136-V141 HydrophobicContact CB-CG2 3.58Å; H136-R211 PolarHBondContact O-NH1 3.41Å; H136-R211 PolarHBondContact O-NH2 3.35Å | ||
| 137 | G | 93.2 | Very high | 96.7 | Very high | 67 Ų | 67 | 37.2 Ų | 37.2 | 69% | 0.691 | 24% | 0.244 | S | C | * | . | trans | -68.9 | -15.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | G133 | G133-G137 WeakPolarHBondContact O-CA 3.48Å; G133-G137 PolarHBondContact O-N 2.96Å | ||
| 138 | G | 94.5 | Very high | 96.8 | Very high | 24 Ų | 24 | 36 Ų | 36 | 25% | 0.247 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -83.1 | 173.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | H136 S140 R211 | H136-G138 PolarHBondContact O-N 3.15Å; G138-S140 PolarHBondContact O-N 2.81Å; G138-R211 PolarHBondContact O-NH2 2.92Å |
| 139 | A | 97.1 | Very high | 96.8 | Very high | 46 Ų | 46 | 37.3 Ų | 37.3 | 38% | 0.38 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -0.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | V116 V141 D142 L143 | V116-A139 HydrophobicContact CG1-CB 4.37Å; A139-V141 PolarHBondContact O-N 3.5Å; A139-D142 WeakPolarHBondContact CA-OD2 3.35Å; A139-D142 PolarHBondContact O-N 3.21Å; A139-L143 WeakPolarHBondContact O-CG 3.39Å; A139-L143 PolarHBondContact O-N 3.29Å |
| 140 | S | 98 | Very high | 96.9 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.2 | -47.1 | -175.4 | 59.6 | 0 | 0 | 0 | 0 | 112.2 | S113 V116 G119 G138 D142 L143 A144 | S113-S140 WeakPolarHBondContact CB-O 2.96Å; S113-S140 WeakPolarHBondContact O-CB 3.4Å; V116-S140 WeakPolarHBondContact O-CB 3.4Å; G119-S140 VanDerWaalsContact C-OG 3.28Å; G119-S140 WeakPolarHBondContact O-CB 3.3Å; G119-S140 PolarHBondContact O-OG 3.43Å; G138-S140 PolarHBondContact O-N 2.81Å; S140-D142 VanDerWaalsContact C-N 3.31Å; S140-D142 PolarHBondContact O-N 3.25Å; S140-L143 PolarHBondContact O-N 3.5Å; S140-A144 PolarHBondContact O-N 2.91Å; S140-A144 VanDerWaalsContact O-N 3.13Å |
| 141 | V | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -35.5 | 177.4 | 177.2 | 0 | 0 | 0 | 0 | 111.3 | A120 T122 V126 H136 A139 A144 I145 | A120-V141 HydrophobicContact CB-CG2 4.46Å; T122-V141 HydrophobicContact CG2-CG2 3.95Å; V126-V141 HydrophobicContact CG1-CG1 4.01Å; H136-V141 HydrophobicContact CB-CG2 3.58Å; A139-V141 PolarHBondContact O-N 3.5Å; V141-A144 PolarHBondContact O-N 2.88Å; V141-I145 HydrophobicContact CG1-CD1 3.98Å; V141-I145 HydrophobicContact CG1-CG1 4.38Å; V141-I145 VanDerWaalsContact O-CG1 3.3Å; V141-I145 WeakPolarHBondContact O-CG1 3.41Å; V141-I145 PolarHBondContact O-N 2.89Å |
| 142 | D | 98.4 | Very high | 97 | Very high | 14 Ų | 14 | 32.4 Ų | 32.4 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.8 | -41.4 | 179 | -53.3 | -54 | 0 | 0 | 0 | 111.4 | A139 S140 A144 I145 F146 L208 R211 N212 | A139-D142 WeakPolarHBondContact CA-OD2 3.35Å; A139-D142 PolarHBondContact O-N 3.21Å; S140-D142 VanDerWaalsContact C-N 3.31Å; S140-D142 PolarHBondContact O-N 3.25Å; D142-A144 PolarHBondContact O-N 2.87Å; D142-I145 WeakPolarHBondContact O-CB 3.19Å; D142-I145 PolarHBondContact O-N 3.23Å; D142-F146 HydrophobicContact CB-CE2 4.49Å; D142-F146 WeakPolarHBondContact O-CD2 3.46Å; D142-F146 PolarHBondContact O-N 3.01Å; D142-L208 HydrophobicContact CB-CD1 3.95Å; D142-L208 WeakPolarHBondContact OD1-CD1 3.34Å; D142-R211 IonicContact OD1-CZ 3.62Å; D142-R211 IonicContact OD1-NE 2.77Å; D142-R211 PolarHBondContact OD1-NE 3.12Å; D142-R211 IonicContact OD1-NH2 3.53Å; D142-R211 PolarHBondContact OD1-NH2 3.11Å; D142-R211 IonicContact OD2-CZ 3.82Å; D142-R211 IonicContact OD2-NE 3.4Å; D142-R211 IonicContact OD2-NH2 3.61Å; D142-R211 PolarHBondContact OD2-NH2 2.73Å; D142-N212 PolarHBondContact OD1-ND2 2.9Å |
| 143 | L | 98.5 | Very high | 97.2 | Very high | 36 Ų | 36 | 35.1 Ų | 35.1 | 19% | 0.188 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.6 | -40.8 | 173.5 | -70 | 171.2 | 0 | 0 | 0 | 112.2 | L109 V112 V116 A139 S140 F146 S147 | L109-L143 HydrophobicContact CD2-CD2 3.98Å; V112-L143 HydrophobicContact CG1-CD1 3.87Å; V116-L143 HydrophobicContact CB-CD1 4.02Å; V116-L143 HydrophobicContact CG1-CD1 4.27Å; V116-L143 HydrophobicContact CG2-CD1 3.83Å; A139-L143 WeakPolarHBondContact O-CG 3.39Å; A139-L143 PolarHBondContact O-N 3.29Å; S140-L143 PolarHBondContact O-N 3.5Å; L143-F146 PolarHBondContact O-N 3.17Å; L143-S147 WeakPolarHBondContact O-CB 3.39Å; L143-S147 PolarHBondContact O-N 3.21Å |
| 144 | A | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 33.2 Ų | 33.2 | 3% | 0.025 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -41.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | A120 S140 V141 D142 S147 L148 | A120-A144 HydrophobicContact CB-CB 4.2Å; S140-A144 PolarHBondContact O-N 2.91Å; S140-A144 VanDerWaalsContact O-N 3.13Å; V141-A144 PolarHBondContact O-N 2.88Å; D142-A144 PolarHBondContact O-N 2.87Å; A144-S147 WeakPolarHBondContact O-CB 3.47Å; A144-S147 PolarHBondContact O-N 3.29Å; A144-L148 WeakPolarHBondContact O-CG 3.21Å; A144-L148 PolarHBondContact O-N 3.44Å |
| 145 | I | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.5 | -45.6 | 174.9 | -70.8 | 168.5 | 0 | 0 | 0 | 110.9 | V141 D142 S147 L148 H149 I204 L207 L208 | V141-I145 HydrophobicContact CG1-CD1 3.98Å; V141-I145 HydrophobicContact CG1-CG1 4.38Å; V141-I145 VanDerWaalsContact O-CG1 3.3Å; V141-I145 WeakPolarHBondContact O-CG1 3.41Å; V141-I145 PolarHBondContact O-N 2.89Å; D142-I145 WeakPolarHBondContact O-CB 3.19Å; D142-I145 PolarHBondContact O-N 3.23Å; I145-S147 VanDerWaalsContact C-N 3.32Å; I145-S147 PolarHBondContact O-N 3.29Å; I145-L148 PolarHBondContact O-N 3.3Å; I145-H149 WeakPolarHBondContact CG2-CE1 3.39Å; I145-H149 WeakPolarHBondContact CG2-ND1 2.95Å; I145-H149 PolarHBondContact O-N 2.85Å; I145-H149 PolarHBondContact O-ND1 2.82Å; I145-I204 HydrophobicContact CG1-CB 4.33Å; I145-I204 HydrophobicContact CG2-CB 4.04Å; I145-I204 HydrophobicContact CG2-CD1 4.26Å; I145-I204 HydrophobicContact CG2-CG1 4.22Å; I145-L207 HydrophobicContact CD1-CB 4.49Å; I145-L207 HydrophobicContact CD1-CD2 4Å; I145-L207 HydrophobicContact CD1-CG 4.11Å; I145-L208 HydrophobicContact CD1-CB 4.23Å; I145-L208 HydrophobicContact CD1-CD1 4.24Å; I145-L208 HydrophobicContact CG2-CB 4.21Å; I145-L208 HydrophobicContact CG2-CD1 4.3Å; I145-L208 HydrophobicContact CG2-CD2 4.36Å |
| 146 | F | 98.8 | Very high | 97.9 | Very high | 100 Ų | 100 | 26.4 Ų | 26.4 | 44% | 0.439 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65 | -35.8 | 177.1 | -70.3 | -53.7 | 0 | 0 | 0 | 112.6 | L109 D142 L143 H149 L150 L208 | L109-F146 HydrophobicContact CD1-CB 3.89Å; D142-F146 HydrophobicContact CB-CE2 4.49Å; D142-F146 WeakPolarHBondContact O-CD2 3.46Å; D142-F146 PolarHBondContact O-N 3.01Å; L143-F146 PolarHBondContact O-N 3.17Å; F146-H149 PolarHBondContact O-N 3.04Å; F146-L150 PolarHBondContact O-N 3.22Å; F146-L150 VanDerWaalsContact O-N 3.1Å; F146-L208 HydrophobicContact CE1-CD2 3.79Å; F146-L208 HydrophobicContact CZ-CD1 4.36Å; F146-L208 HydrophobicContact CZ-CD2 3.88Å |
| 147 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.3 | -50 | 171.5 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | A106 L110 L143 A144 I145 H149 L150 A151 | A106-S147 VanDerWaalsContact O-CB 3.28Å; A106-S147 WeakPolarHBondContact O-CB 3.27Å; A106-S147 PolarHBondContact O-OG 2.95Å; L110-S147 WeakPolarHBondContact CB-OG 3.45Å; L143-S147 WeakPolarHBondContact O-CB 3.39Å; L143-S147 PolarHBondContact O-N 3.21Å; A144-S147 WeakPolarHBondContact O-CB 3.47Å; A144-S147 PolarHBondContact O-N 3.29Å; I145-S147 VanDerWaalsContact C-N 3.32Å; I145-S147 PolarHBondContact O-N 3.29Å; S147-H149 VanDerWaalsContact C-N 3.34Å; S147-H149 PolarHBondContact O-N 3.03Å; S147-L150 PolarHBondContact O-N 3.3Å; S147-A151 PolarHBondContact O-N 2.98Å |
| 148 | L | 98.6 | Very high | 98.3 | Very high | 9 Ų | 9 | 24.6 Ų | 24.6 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.3 | -36.3 | 179.8 | -67.1 | 176.2 | 0 | 0 | 0 | 112.5 | F61 F65 A144 I145 G152 I204 | F61-L148 HydrophobicContact CD1-CD2 3.82Å; F61-L148 HydrophobicContact CE1-CD1 3.78Å; F61-L148 HydrophobicContact CE1-CD2 3.73Å; F61-L148 HydrophobicContact CE1-CG 4.27Å; F61-L148 HydrophobicContact CZ-CD1 3.9Å; F61-L148 HydrophobicContact CZ-CD2 4.5Å; F65-L148 HydrophobicContact CD2-CD2 3.87Å; F65-L148 HydrophobicContact CE2-CD2 3.8Å; F65-L148 HydrophobicContact CG-CD2 4.43Å; F65-L148 HydrophobicContact CZ-CD2 4.3Å; A144-L148 WeakPolarHBondContact O-CG 3.21Å; A144-L148 PolarHBondContact O-N 3.44Å; I145-L148 PolarHBondContact O-N 3.3Å; L148-G152 PolarHBondContact O-N 2.77Å; L148-I204 HydrophobicContact CB-CD1 3.79Å |
| 149 | H | 98.8 | Very high | 98.5 | Very high | 39 Ų | 39 | 23.5 Ų | 23.5 | 18% | 0.181 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.2 | -48.3 | 172.8 | -78.6 | 96.1 | 0 | 0 | 0 | 112.2 | I145 F146 S147 G152 I153 I204 T205 | I145-H149 WeakPolarHBondContact CG2-CE1 3.39Å; I145-H149 WeakPolarHBondContact CG2-ND1 2.95Å; I145-H149 PolarHBondContact O-N 2.85Å; I145-H149 PolarHBondContact O-ND1 2.82Å; F146-H149 PolarHBondContact O-N 3.04Å; S147-H149 VanDerWaalsContact C-N 3.34Å; S147-H149 PolarHBondContact O-N 3.03Å; H149-G152 PolarHBondContact O-N 2.75Å; H149-I153 VanDerWaalsContact O-CG1 3.28Å; H149-I153 WeakPolarHBondContact O-CG1 3.48Å; H149-I153 PolarHBondContact O-N 3.13Å; H149-I204 VanDerWaalsContact CE1-CD1 3.47Å; H149-I204 WeakPolarHBondContact CE1-CD1 3.36Å; H149-I204 WeakPolarHBondContact CE1-CG1 3.06Å; H149-I204 WeakPolarHBondContact ND1-CD1 3.24Å; H149-T205 PolarHBondContact NE2-OG1 3.01Å |
| 150 | L | 98.6 | Very high | 98.6 | Very high | 45 Ų | 45 | 23.5 Ų | 23.5 | 24% | 0.236 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.3 | -42 | 179.8 | -69.8 | -176.1 | 0 | 0 | 0 | 111.9 | L102 P105 A106 L109 F146 S147 G152 I153 S154 | L102-L150 HydrophobicContact CD2-CD2 4.25Å; P105-L150 HydrophobicContact CB-CD1 4.11Å; A106-L150 HydrophobicContact CB-CB 3.68Å; L109-L150 HydrophobicContact CD1-CD1 3.66Å; F146-L150 PolarHBondContact O-N 3.22Å; F146-L150 VanDerWaalsContact O-N 3.1Å; S147-L150 PolarHBondContact O-N 3.3Å; L150-G152 VanDerWaalsContact C-N 3.33Å; L150-I153 PolarHBondContact O-N 2.83Å; L150-S154 WeakPolarHBondContact O-CB 3.36Å; L150-S154 PolarHBondContact O-N 2.72Å |
| 151 | A | 98.7 | Very high | 98.6 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 3% | 0.025 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.4 | -37.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | F66 L103 A106 S147 S154 S155 | F66-A151 HydrophobicContact CE1-CB 4.37Å; F66-A151 HydrophobicContact CZ-CB 4.19Å; L103-A151 HydrophobicContact CD2-CB 4.38Å; A106-A151 HydrophobicContact CB-CB 4.21Å; S147-A151 PolarHBondContact O-N 2.98Å; A151-S154 WeakPolarHBondContact O-CB 3.37Å; A151-S155 PolarHBondContact O-N 3.18Å; A151-S155 VanDerWaalsContact O-N 3.1Å; A151-S155 PolarHBondContact O-OG 2.91Å |
| 152 | G | 98.5 | Very high | 98.6 | Very high | 11 Ų | 11 | 23.5 Ų | 23.5 | 11% | 0.113 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.3 | -46.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L148 H149 L150 S154 S155 I156 | L148-G152 PolarHBondContact O-N 2.77Å; H149-G152 PolarHBondContact O-N 2.75Å; L150-G152 VanDerWaalsContact C-N 3.33Å; G152-S154 VanDerWaalsContact C-N 3.35Å; G152-S154 PolarHBondContact O-N 3.39Å; G152-S155 PolarHBondContact O-N 3.44Å; G152-I156 WeakPolarHBondContact O-CG1 3.42Å; G152-I156 PolarHBondContact O-N 2.89Å |
| 153 | I | 98.7 | Very high | 98.6 | Very high | 78 Ų | 78 | 23.9 Ų | 23.9 | 40% | 0.4 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 176.6 | -65 | 162.9 | 0 | 0 | 0 | 110.5 | L102 H149 L150 S155 I156 L157 | L102-I153 HydrophobicContact CD1-CB 4.26Å; L102-I153 HydrophobicContact CD1-CG2 3.68Å; H149-I153 VanDerWaalsContact O-CG1 3.28Å; H149-I153 WeakPolarHBondContact O-CG1 3.48Å; H149-I153 PolarHBondContact O-N 3.13Å; L150-I153 PolarHBondContact O-N 2.83Å; I153-S155 VanDerWaalsContact C-N 3.29Å; I153-S155 PolarHBondContact O-N 2.81Å; I153-I156 PolarHBondContact O-N 3.49Å; I153-L157 HydrophobicContact CG2-CD1 4.04Å; I153-L157 HydrophobicContact CG2-CG 4.33Å; I153-L157 WeakPolarHBondContact O-CG 3.43Å; I153-L157 PolarHBondContact O-N 3.31Å |
| 154 | S | 98.7 | Very high | 98.6 | Very high | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.014 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -49.9 | -51.5 | 173.7 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | S99 L150 A151 G152 L157 G158 | S99-S154 VanDerWaalsContact CB-O 3.32Å; S99-S154 WeakPolarHBondContact CB-O 3.3Å; S99-S154 VanDerWaalsContact O-CB 3.3Å; S99-S154 WeakPolarHBondContact O-CB 3.41Å; S99-S154 PolarHBondContact O-OG 2.89Å; L150-S154 WeakPolarHBondContact O-CB 3.36Å; L150-S154 PolarHBondContact O-N 2.72Å; A151-S154 WeakPolarHBondContact O-CB 3.37Å; G152-S154 VanDerWaalsContact C-N 3.35Å; G152-S154 PolarHBondContact O-N 3.39Å; S154-L157 PolarHBondContact O-N 2.98Å; S154-G158 PolarHBondContact O-N 3.37Å |
| 155 | S | 98.5 | Very high | 98.6 | Very high | 15 Ų | 15 | 23.5 Ų | 23.5 | 11% | 0.105 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -70.4 | -37.6 | -175.2 | -57.3 | 0 | 0 | 0 | 0 | 113 | M69 A151 G152 I153 G158 A159 L197 | M69-S155 PolarHBondContact SD-OG 3.35Å; M69-S155 VanDerWaalsContact SD-OG 3.34Å; A151-S155 PolarHBondContact O-N 3.18Å; A151-S155 VanDerWaalsContact O-N 3.1Å; A151-S155 PolarHBondContact O-OG 2.91Å; G152-S155 PolarHBondContact O-N 3.44Å; I153-S155 VanDerWaalsContact C-N 3.29Å; I153-S155 PolarHBondContact O-N 2.81Å; S155-G158 PolarHBondContact O-N 3.15Å; S155-A159 WeakPolarHBondContact O-CB 3.11Å; S155-A159 PolarHBondContact O-N 2.82Å; S155-L197 VanDerWaalsContact CB-CD1 3.45Å |
| 156 | I | 98.7 | Very high | 98.5 | Very high | 46 Ų | 46 | 23.6 Ų | 23.6 | 24% | 0.236 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.2 | -45.2 | 174.9 | -68.5 | 166.8 | 0 | 0 | 0 | 110.8 | G152 I153 G158 A159 V160 L194 L197 P198 | G152-I156 WeakPolarHBondContact O-CG1 3.42Å; G152-I156 PolarHBondContact O-N 2.89Å; I153-I156 PolarHBondContact O-N 3.49Å; I156-G158 VanDerWaalsContact C-N 3.34Å; I156-G158 PolarHBondContact O-N 3.41Å; I156-A159 WeakPolarHBondContact O-CB 3.39Å; I156-A159 PolarHBondContact O-N 3.29Å; I156-V160 WeakPolarHBondContact O-CG2 3.37Å; I156-V160 PolarHBondContact O-N 3.2Å; I156-L194 HydrophobicContact CG2-CD1 4.08Å; I156-L197 HydrophobicContact CD1-CB 3.97Å; I156-L197 HydrophobicContact CG1-CB 3.98Å; I156-L197 HydrophobicContact CG1-CD1 3.94Å; I156-P198 HydrophobicContact CD1-CG 4.3Å |
| 157 | L | 98.6 | Very high | 98.4 | Very high | 36 Ų | 36 | 23.4 Ų | 23.4 | 19% | 0.188 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 176.5 | -68.7 | 177.1 | 0 | 0 | 0 | 111.4 | M95 M98 L102 I153 S154 N161 | M95-L157 HydrophobicContact CE-CD2 4.27Å; M95-L157 HydrophobicContact CG-CB 3.92Å; M95-L157 HydrophobicContact CG-CD2 4.03Å; M95-L157 HydrophobicContact CG-CG 4.43Å; M95-L157 HydrophobicContact SD-CB 4.36Å; M95-L157 HydrophobicContact SD-CD2 4.04Å; M98-L157 HydrophobicContact CE-CD1 4.15Å; M98-L157 HydrophobicContact CG-CD1 4.08Å; M98-L157 HydrophobicContact SD-CD1 4.02Å; L102-L157 HydrophobicContact CD1-CD1 3.96Å; I153-L157 HydrophobicContact CG2-CD1 4.04Å; I153-L157 HydrophobicContact CG2-CG 4.33Å; I153-L157 WeakPolarHBondContact O-CG 3.43Å; I153-L157 PolarHBondContact O-N 3.31Å; S154-L157 PolarHBondContact O-N 2.98Å; L157-N161 PolarHBondContact O-N 3.28Å |
| 158 | G | 98.5 | Very high | 98.2 | Very high | 5 Ų | 5 | 28.6 Ų | 28.6 | 5% | 0.052 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.9 | -46.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | S154 S155 I156 N161 F162 | S154-G158 PolarHBondContact O-N 3.37Å; S155-G158 PolarHBondContact O-N 3.15Å; I156-G158 VanDerWaalsContact C-N 3.34Å; I156-G158 PolarHBondContact O-N 3.41Å; G158-N161 WeakPolarHBondContact O-CB 3.29Å; G158-N161 PolarHBondContact O-N 3.39Å; G158-F162 WeakPolarHBondContact O-CD2 3.27Å; G158-F162 PolarHBondContact O-N 2.9Å |
| 159 | A | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.5 | -48.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S155 I156 N161 F162 I163 A190 L193 L194 | S155-A159 WeakPolarHBondContact O-CB 3.11Å; S155-A159 PolarHBondContact O-N 2.82Å; I156-A159 WeakPolarHBondContact O-CB 3.39Å; I156-A159 PolarHBondContact O-N 3.29Å; A159-N161 VanDerWaalsContact C-N 3.25Å; A159-N161 PolarHBondContact O-N 3.32Å; A159-F162 PolarHBondContact O-N 3.28Å; A159-I163 WeakPolarHBondContact O-CD1 3.29Å; A159-I163 VanDerWaalsContact O-CG1 3.28Å; A159-I163 WeakPolarHBondContact O-CG1 3.36Å; A159-I163 PolarHBondContact O-N 3.3Å; A159-A190 HydrophobicContact CB-CB 4.01Å; A159-A190 WeakPolarHBondContact CB-O 3.39Å; A159-L193 HydrophobicContact CB-CB 3.97Å; A159-L194 HydrophobicContact CB-CB 4.42Å |
| 160 | V | 98.7 | Very high | 97.8 | Very high | 46 Ų | 46 | 31 Ų | 31 | 28% | 0.279 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57.1 | -42.1 | 176.1 | 171.8 | 0 | 0 | 0 | 0 | 111 | F92 M95 I156 T164 L194 | F92-V160 HydrophobicContact CE2-CG1 4.33Å; M95-V160 HydrophobicContact SD-CB 4.46Å; M95-V160 HydrophobicContact SD-CG1 4.34Å; I156-V160 WeakPolarHBondContact O-CG2 3.37Å; I156-V160 PolarHBondContact O-N 3.2Å; V160-T164 WeakPolarHBondContact O-CB 3.02Å; V160-T164 PolarHBondContact O-N 3.35Å; V160-T164 PolarHBondContact O-OG1 3.13Å; V160-L194 HydrophobicContact CG2-CD1 3.93Å |
| 161 | N | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.8 | -46.1 | 179.1 | -169 | 23.7 | 0 | 0 | 0 | 112.3 | M90 A91 F92 N96 L157 G158 A159 T164 T165 | M90-N161 HydrophobicContact CE-CB 4.28Å; M90-N161 WeakPolarHBondContact CE-ND2 3.45Å; A91-N161 PolarHBondContact N-OD1 3.5Å; F92-N161 PolarHBondContact N-OD1 3.4Å; N96-N161 VanDerWaalsContact CB-ND2 3.3Å; N96-N161 WeakPolarHBondContact CB-ND2 3.41Å; N96-N161 PolarHBondContact OD1-ND2 2.92Å; L157-N161 PolarHBondContact O-N 3.28Å; G158-N161 WeakPolarHBondContact O-CB 3.29Å; G158-N161 PolarHBondContact O-N 3.39Å; A159-N161 VanDerWaalsContact C-N 3.25Å; A159-N161 PolarHBondContact O-N 3.32Å; N161-T164 PolarHBondContact O-N 2.88Å; N161-T165 WeakPolarHBondContact O-CB 3.32Å; N161-T165 PolarHBondContact O-N 2.89Å; N161-T165 PolarHBondContact O-OG1 3.01Å |
| 162 | F | 98.6 | Very high | 96.9 | Very high | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.013 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -48.3 | 175.5 | -78.2 | -62.8 | 0 | 0 | 0 | 112.2 | I73 G77 V81 M90 G158 A159 T164 T165 V166 V186 A190 | I73-F162 HydrophobicContact CG2-CD2 4.08Å; I73-F162 HydrophobicContact CG2-CE2 3.5Å; I73-F162 VanDerWaalsContact CG2-CE2 3.5Å; I73-F162 HydrophobicContact CG2-CZ 4.25Å; I73-F162 WeakPolarHBondContact O-CZ 3.12Å; G77-F162 VanDerWaalsContact C-CE1 3.41Å; V81-F162 HydrophobicContact CB-CD1 4.42Å; V81-F162 HydrophobicContact CB-CE1 4.34Å; V81-F162 HydrophobicContact CG1-CD1 4.44Å; V81-F162 HydrophobicContact CG2-CD1 4.24Å; V81-F162 HydrophobicContact CG2-CE1 4.19Å; M90-F162 HydrophobicContact CE-CD1 3.4Å; M90-F162 HydrophobicContact CE-CE1 3.5Å; M90-F162 VanDerWaalsContact CE-CE1 3.5Å; M90-F162 HydrophobicContact CE-CG 3.94Å; M90-F162 HydrophobicContact CE-CZ 4.15Å; M90-F162 HydrophobicContact SD-CD1 4.26Å; M90-F162 HydrophobicContact SD-CE1 4.06Å; G158-F162 WeakPolarHBondContact O-CD2 3.27Å; G158-F162 PolarHBondContact O-N 2.9Å; A159-F162 PolarHBondContact O-N 3.28Å; F162-T164 VanDerWaalsContact C-N 3.34Å; F162-T164 PolarHBondContact O-N 3.14Å; F162-T165 PolarHBondContact O-N 3.42Å; F162-V166 WeakPolarHBondContact O-CB 3.17Å; F162-V166 VanDerWaalsContact O-CG2 3.27Å; F162-V166 WeakPolarHBondContact O-CG2 3.34Å; F162-V166 PolarHBondContact O-N 2.54Å; F162-V186 HydrophobicContact CB-CG1 4.31Å; F162-V186 HydrophobicContact CD1-CG1 3.71Å; F162-V186 HydrophobicContact CD2-CG1 4.33Å; F162-V186 HydrophobicContact CE1-CG1 4.14Å; F162-V186 HydrophobicContact CG-CG1 3.86Å; F162-A190 HydrophobicContact CB-CB 4.01Å |
| 163 | I | 98.6 | Very high | 96.3 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 11% | 0.113 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.8 | -49.2 | 179 | -67.8 | 162.2 | 0 | 0 | 0 | 110.3 | A159 T165 V166 I167 V187 A190 L191 L194 | A159-I163 WeakPolarHBondContact O-CD1 3.29Å; A159-I163 VanDerWaalsContact O-CG1 3.28Å; A159-I163 WeakPolarHBondContact O-CG1 3.36Å; A159-I163 PolarHBondContact O-N 3.3Å; I163-T165 PolarHBondContact O-N 3.13Å; I163-V166 PolarHBondContact O-N 3.11Å; I163-I167 HydrophobicContact CG2-CD1 3.62Å; I163-I167 HydrophobicContact CG2-CG1 4.47Å; I163-I167 WeakPolarHBondContact O-CB 3.26Å; I163-I167 VanDerWaalsContact O-CG1 3.28Å; I163-I167 WeakPolarHBondContact O-CG1 3.4Å; I163-I167 PolarHBondContact O-N 3.25Å; I163-V187 HydrophobicContact CG1-CG2 4.39Å; I163-A190 HydrophobicContact CD1-CB 4.09Å; I163-A190 HydrophobicContact CG1-CB 3.72Å; I163-L191 HydrophobicContact CD1-CD2 3.82Å; I163-L191 HydrophobicContact CD1-CG 4.22Å; I163-L191 HydrophobicContact CG1-CD2 4.34Å; I163-L191 HydrophobicContact CG1-CG 4.43Å; I163-L194 HydrophobicContact CD1-CB 4.49Å; I163-L194 HydrophobicContact CD1-CD2 3.9Å |
| 164 | T | 98.4 | Very high | 96 | Very high | 32 Ų | 32 | 32.2 Ų | 32.2 | 20% | 0.196 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.5 | -41.5 | -178.1 | -53.2 | 0 | 0 | 0 | 0 | 111.8 | A91 F92 V160 N161 F162 N168 | A91-T164 HydrophobicContact CB-CG2 3.76Å; F92-T164 HydrophobicContact CE2-CG2 3.71Å; F92-T164 HydrophobicContact CZ-CG2 3.82Å; V160-T164 WeakPolarHBondContact O-CB 3.02Å; V160-T164 PolarHBondContact O-N 3.35Å; V160-T164 PolarHBondContact O-OG1 3.13Å; N161-T164 PolarHBondContact O-N 2.88Å; F162-T164 VanDerWaalsContact C-N 3.34Å; F162-T164 PolarHBondContact O-N 3.14Å; T164-N168 WeakPolarHBondContact CG2-ND2 3.42Å; T164-N168 WeakPolarHBondContact O-CB 3.39Å; T164-N168 PolarHBondContact O-N 2.66Å; T164-N168 PolarHBondContact O-ND2 3.1Å |
| 165 | T | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.1 | -50.4 | 177.4 | -54.1 | 0 | 0 | 0 | 0 | 110.7 | L85 M90 A91 N161 F162 I163 I167 N168 M169 | L85-T165 HydrophobicContact CD1-CG2 4.49Å; M90-T165 HydrophobicContact SD-CG2 4.09Å; A91-T165 WeakPolarHBondContact CB-OG1 3.49Å; A91-T165 PolarHBondContact N-OG1 3.23Å; N161-T165 WeakPolarHBondContact O-CB 3.32Å; N161-T165 PolarHBondContact O-N 2.89Å; N161-T165 PolarHBondContact O-OG1 3.01Å; F162-T165 PolarHBondContact O-N 3.42Å; I163-T165 PolarHBondContact O-N 3.13Å; T165-I167 VanDerWaalsContact C-N 3.34Å; T165-I167 PolarHBondContact O-N 3.17Å; T165-N168 PolarHBondContact O-N 3.43Å; T165-M169 HydrophobicContact CG2-CB 4.31Å; T165-M169 HydrophobicContact CG2-SD 4.21Å; T165-M169 WeakPolarHBondContact O-CA 3.41Å; T165-M169 WeakPolarHBondContact O-CB 3.01Å; T165-M169 PolarHBondContact O-N 2.85Å |
| 166 | V | 97.7 | Very high | 95.5 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.018 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.7 | -37.9 | -178.1 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | V81 L85 F162 I163 R170 M179 V183 V187 | V81-V166 HydrophobicContact CG1-CG2 3.85Å; L85-V166 HydrophobicContact CD1-CB 4.44Å; L85-V166 HydrophobicContact CD1-CG2 4.12Å; F162-V166 WeakPolarHBondContact O-CB 3.17Å; F162-V166 VanDerWaalsContact O-CG2 3.27Å; F162-V166 WeakPolarHBondContact O-CG2 3.34Å; F162-V166 PolarHBondContact O-N 2.54Å; I163-V166 PolarHBondContact O-N 3.11Å; V166-R170 WeakPolarHBondContact O-CD 3.14Å; V166-R170 WeakPolarHBondContact O-CG 3.43Å; V166-R170 PolarHBondContact O-NH1 3.24Å; V166-M179 HydrophobicContact CG1-CE 4.24Å; V166-M179 HydrophobicContact CG1-SD 3.75Å; V166-V183 HydrophobicContact CB-CG1 4.45Å; V166-V183 HydrophobicContact CG1-CG1 3.88Å; V166-V183 HydrophobicContact CG2-CG1 3.71Å; V166-V187 HydrophobicContact CB-CB 4.38Å; V166-V187 HydrophobicContact CB-CG2 4.28Å; V166-V187 HydrophobicContact CG1-CB 4.12Å; V166-V187 HydrophobicContact CG1-CG1 4.39Å; V166-V187 HydrophobicContact CG1-CG2 4.19Å; V166-V187 HydrophobicContact CG2-CB 4.32Å |
| 167 | I | 96 | Very high | 95.2 | Very high | 96 Ų | 96 | 39.7 Ų | 39.7 | 49% | 0.492 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -73.1 | -42.9 | -178.9 | -67.6 | 173.3 | 0 | 0 | 0 | 111.6 | I163 T165 R170 | I163-I167 HydrophobicContact CG2-CD1 3.62Å; I163-I167 HydrophobicContact CG2-CG1 4.47Å; I163-I167 WeakPolarHBondContact O-CB 3.26Å; I163-I167 VanDerWaalsContact O-CG1 3.28Å; I163-I167 WeakPolarHBondContact O-CG1 3.4Å; I163-I167 PolarHBondContact O-N 3.25Å; T165-I167 VanDerWaalsContact C-N 3.34Å; T165-I167 PolarHBondContact O-N 3.17Å; I167-R170 PolarHBondContact O-NH1 3.45Å |
| 168 | N | 95 | Very high | 94.8 | Very high | 109 Ų | 109 | 45.3 Ų | 45.3 | 58% | 0.583 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -106.4 | -20.2 | -165.2 | -62.3 | -49 | 0 | 0 | 0 | 115.3 | T164 T165 | T164-N168 WeakPolarHBondContact CG2-ND2 3.42Å; T164-N168 WeakPolarHBondContact O-CB 3.39Å; T164-N168 PolarHBondContact O-N 2.66Å; T164-N168 PolarHBondContact O-ND2 3.1Å; T165-N168 PolarHBondContact O-N 3.43Å |
| 169 | M | 94.2 | Very high | 94.7 | Very high | 36 Ų | 36 | 45.2 Ų | 45.2 | 18% | 0.177 | 24% | 0.244 | C | C | . | . | trans | -115.7 | 25.5 | -169.2 | -59.2 | -179.8 | 68.4 | 0 | 0 | 113.7 | A87 P88 D89 A91 T165 L506 | A87-M169 HydrophobicContact CB-CB 4.06Å; A87-M169 HydrophobicContact CB-CE 4.4Å; A87-M169 WeakPolarHBondContact CB-O 3.49Å; P88-M169 HydrophobicContact CG-CE 4.1Å; D89-M169 VanDerWaalsContact O-CE 3.24Å; D89-M169 WeakPolarHBondContact O-CE 3.35Å; A91-M169 WeakPolarHBondContact CA-SD 3.09Å; A91-M169 HydrophobicContact CB-SD 3.68Å; T165-M169 HydrophobicContact CG2-CB 4.31Å; T165-M169 HydrophobicContact CG2-SD 4.21Å; T165-M169 WeakPolarHBondContact O-CA 3.41Å; T165-M169 WeakPolarHBondContact O-CB 3.01Å; T165-M169 PolarHBondContact O-N 2.85Å; M169-L506 HydrophobicContact CB-CD2 4.29Å; M169-L506 WeakPolarHBondContact O-CD2 3.32Å | ||
| 170 | R | 94.3 | Very high | 94.6 | Very high | 61 Ų | 61 | 46.4 Ų | 46.4 | 23% | 0.23 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -73 | 137.6 | 172.3 | -51.9 | -167.7 | -66.3 | -74.7 | -8.3 | 109.4 | L85 V166 I167 I174 M179 | L85-R170 HydrophobicContact CD1-CG 4.4Å; L85-R170 HydrophobicContact CD2-CB 4.3Å; L85-R170 HydrophobicContact CD2-CG 3.72Å; V166-R170 WeakPolarHBondContact O-CD 3.14Å; V166-R170 WeakPolarHBondContact O-CG 3.43Å; V166-R170 PolarHBondContact O-NH1 3.24Å; I167-R170 PolarHBondContact O-NH1 3.45Å; R170-I174 HydrophobicContact CB-CB 4.37Å; R170-I174 PolarHBondContact NE-O 2.9Å; R170-M179 WeakPolarHBondContact CD-SD 3.48Å |
| 171 | S | 91.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.007 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -53.5 | 143.4 | 169.7 | -63.6 | 0 | 0 | 0 | 0 | 110.6 | L85 G86 G173 I174 P507 | L85-S171 VanDerWaalsContact O-CB 3.31Å; L85-S171 WeakPolarHBondContact O-CB 3.43Å; L85-S171 PolarHBondContact O-N 3.24Å; L85-S171 PolarHBondContact O-OG 3.21Å; G86-S171 VanDerWaalsContact CA-OG 3.3Å; G86-S171 WeakPolarHBondContact CA-OG 3.48Å; G86-S171 PolarHBondContact O-OG 3.35Å; S171-G173 PolarHBondContact O-N 2.64Å; S171-I174 PolarHBondContact O-N 3.34Å; S171-I174 VanDerWaalsContact O-N 3.13Å; S171-P507 WeakPolarHBondContact CB-O 3.19Å |
| 172 | T | 87.8 | Confident | 94.6 | Very high | 91 Ų | 91 | 44.7 Ų | 44.7 | 56% | 0.558 | 24% | 0.24 | S | C | * | . | B | Isolated β-bridge | trans | -61.7 | 128.6 | 179.5 | -58.8 | 0 | 0 | 0 | 0 | 108.8 | P507 L508 L509 | T172-P507 PolarHBondContact N-O 3.01Å; T172-L508 HydrophobicContact CG2-CD1 3.52Å; T172-L509 PolarHBondContact O-N 3.07Å |
| 173 | G | 85.9 | Confident | 94.6 | Very high | 46 Ų | 46 | 44.5 Ų | 44.5 | 47% | 0.474 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 109.1 | -21.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S171 S175 | S171-G173 PolarHBondContact O-N 2.64Å; G173-S175 PolarHBondContact O-N 3.38Å |
| 174 | I | 91.6 | Very high | 94.5 | Very high | 25 Ų | 25 | 45.2 Ų | 45.2 | 13% | 0.128 | 24% | 0.241 | C | C | . | . | trans | -85.3 | 93.8 | 174.8 | -54.3 | 177.8 | 0 | 0 | 0 | 109.9 | R170 S171 M179 I490 L509 | R170-I174 HydrophobicContact CB-CB 4.37Å; R170-I174 PolarHBondContact NE-O 2.9Å; S171-I174 PolarHBondContact O-N 3.34Å; S171-I174 VanDerWaalsContact O-N 3.13Å; I174-M179 HydrophobicContact CG2-CG 3.81Å; I174-I490 HydrophobicContact CD1-CD1 4.44Å; I174-L509 HydrophobicContact CD1-CD1 3.85Å; I174-L509 HydrophobicContact CG1-CD1 4.15Å | ||
| 175 | S | 92.8 | Very high | 94.6 | Very high | 45 Ų | 45 | 43.7 Ų | 43.7 | 32% | 0.315 | 23% | 0.232 | S | C | . | . | trans | -70.5 | 163.5 | 166.4 | 56.3 | 0 | 0 | 0 | 0 | 111.4 | G173 D177 R178 M179 | G173-S175 PolarHBondContact O-N 3.38Å; S175-D177 VanDerWaalsContact C-N 3.31Å; S175-D177 WeakPolarHBondContact CB-OD1 3.35Å; S175-D177 PolarHBondContact O-N 2.85Å; S175-D177 PolarHBondContact OG-OD1 3.23Å; S175-R178 CarbonylContact O-C 3.47Å; S175-R178 PolarHBondContact O-N 2.95Å; S175-R178 WeakPolarHBondContact OG-CD 3.38Å; S175-R178 WeakPolarHBondContact OG-CG 3.23Å; S175-M179 PolarHBondContact O-N 3.25Å | ||
| 176 | L | 93.7 | Very high | 94.6 | Very high | 87 Ų | 87 | 43.8 Ų | 43.8 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -60.9 | -38.4 | -175.5 | -71.4 | 175.4 | 0 | 0 | 0 | 112.9 | R178 M179 W184 | L176-R178 PolarHBondContact O-N 3.4Å; L176-M179 HydrophobicContact CB-CE 4.49Å; L176-M179 HydrophobicContact CD2-CE 3.62Å; L176-M179 HydrophobicContact CD2-SD 3.95Å; L176-M179 PolarHBondContact O-N 3.19Å; L176-W184 HydrophobicContact CB-CZ2 4.12Å; L176-W184 WeakPolarHBondContact O-CZ2 3.4Å; L176-W184 PolarHBondContact O-NE1 3.13Å |
| 177 | D | 92.6 | Very high | 94.6 | Very high | 89 Ų | 89 | 44.2 Ų | 44.2 | 48% | 0.476 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -68.8 | -18.9 | 175.3 | 61 | -40.6 | 0 | 0 | 0 | 113.6 | S175 L269 | S175-D177 VanDerWaalsContact C-N 3.31Å; S175-D177 WeakPolarHBondContact CB-OD1 3.35Å; S175-D177 PolarHBondContact O-N 2.85Å; S175-D177 PolarHBondContact OG-OD1 3.23Å; D177-L269 HydrophobicContact CB-CD2 4Å |
| 178 | R | 91.3 | Very high | 94.8 | Very high | 153 Ų | 153 | 40 Ų | 40 | 58% | 0.577 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -99.7 | 0.8 | 177.2 | -65.1 | -177.1 | -175.6 | -174.9 | 2 | 113.7 | S175 L176 | S175-R178 CarbonylContact O-C 3.47Å; S175-R178 PolarHBondContact O-N 2.95Å; S175-R178 WeakPolarHBondContact OG-CD 3.38Å; S175-R178 WeakPolarHBondContact OG-CG 3.23Å; L176-R178 PolarHBondContact O-N 3.4Å |
| 179 | M | 95.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 2% | 0.02 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -66.8 | 141.3 | 174.5 | -69.7 | -169.6 | -52.4 | 0 | 0 | 110.8 | V166 R170 I174 S175 L176 V183 W184 | V166-M179 HydrophobicContact CG1-CE 4.24Å; V166-M179 HydrophobicContact CG1-SD 3.75Å; R170-M179 WeakPolarHBondContact CD-SD 3.48Å; I174-M179 HydrophobicContact CG2-CG 3.81Å; S175-M179 PolarHBondContact O-N 3.25Å; L176-M179 HydrophobicContact CB-CE 4.49Å; L176-M179 HydrophobicContact CD2-CE 3.62Å; L176-M179 HydrophobicContact CD2-SD 3.95Å; L176-M179 PolarHBondContact O-N 3.19Å; M179-V183 HydrophobicContact SD-CG1 4.38Å; M179-W184 HydrophobicContact CE-CD2 3.74Å; M179-W184 HydrophobicContact CE-CE3 4.34Å; M179-W184 HydrophobicContact CE-CG 4.13Å; M179-W184 HydrophobicContact CE-CH2 4.23Å; M179-W184 HydrophobicContact CE-CZ2 3.6Å |
| 180 | P | 96.7 | Very high | 95.2 | Very high | 26 Ų | 26 | 33.2 Ų | 33.2 | 17% | 0.169 | 18% | 0.178 | C | C | . | . | trans | -55.6 | 144.4 | 174.8 | -30.4 | 39.6 | 0 | 0 | 0 | 113.5 | M84 F182 V183 W184 | M84-P180 HydrophobicContact CB-CG 4.16Å; M84-P180 HydrophobicContact SD-CB 4.23Å; P180-F182 PolarHBondContact O-N 2.64Å; P180-V183 HydrophobicContact CB-CG2 4.16Å; P180-V183 HydrophobicContact CG-CG2 4.4Å; P180-V183 WeakPolarHBondContact O-CB 3.12Å; P180-V183 PolarHBondContact O-N 2.9Å; P180-W184 PolarHBondContact O-N 2.98Å | ||
| 181 | L | 98 | Very high | 95.4 | Very high | 9 Ų | 9 | 34 Ų | 34 | 5% | 0.047 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -33 | -178.6 | -70.9 | 176.1 | 0 | 0 | 0 | 113 | W184 S185 T265 M271 I272 M275 | L181-W184 PolarHBondContact O-N 3.12Å; L181-S185 WeakPolarHBondContact O-CB 3.27Å; L181-S185 PolarHBondContact O-N 3.44Å; L181-S185 PolarHBondContact O-OG 3.37Å; L181-T265 HydrophobicContact CD1-CG2 4.44Å; L181-M271 HydrophobicContact CD1-CB 4.1Å; L181-M271 HydrophobicContact CD1-CE 4.42Å; L181-M271 HydrophobicContact CD1-CG 4.2Å; L181-M271 HydrophobicContact CD2-CB 3.75Å; L181-I272 HydrophobicContact CD2-CD1 4.41Å; L181-I272 HydrophobicContact CD2-CG1 3.7Å; L181-M275 HydrophobicContact CD2-CE 4.06Å |
| 182 | F | 98.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 172.2 | -177.9 | -102.9 | 0 | 0 | 0 | 112.7 | F76 L80 V81 M84 P180 W184 S185 V186 P247 M251 | F76-F182 HydrophobicContact CB-CE1 4.48Å; F76-F182 HydrophobicContact CB-CE2 4.15Å; F76-F182 HydrophobicContact CB-CZ 3.59Å; L80-F182 HydrophobicContact CB-CD1 3.98Å; L80-F182 HydrophobicContact CB-CE1 3.69Å; L80-F182 HydrophobicContact CD1-CD1 4.29Å; L80-F182 HydrophobicContact CD1-CE1 4.05Å; L80-F182 HydrophobicContact CD1-CZ 4.35Å; L80-F182 HydrophobicContact CG-CE1 4.44Å; V81-F182 HydrophobicContact CG2-CE1 4.15Å; M84-F182 HydrophobicContact CE-CB 4.41Å; M84-F182 HydrophobicContact CE-CD1 4.41Å; M84-F182 HydrophobicContact SD-CB 3.92Å; M84-F182 HydrophobicContact SD-CD1 3.78Å; M84-F182 HydrophobicContact SD-CG 4.26Å; P180-F182 PolarHBondContact O-N 2.64Å; F182-W184 VanDerWaalsContact C-N 3.34Å; F182-W184 PolarHBondContact O-N 3.46Å; F182-S185 WeakPolarHBondContact CA-OG 3.3Å; F182-S185 PolarHBondContact O-N 3.26Å; F182-S185 VanDerWaalsContact O-N 3.14Å; F182-S185 PolarHBondContact O-OG 2.96Å; F182-V186 HydrophobicContact CD1-CG2 4.25Å; F182-V186 HydrophobicContact CD2-CG2 4.48Å; F182-V186 HydrophobicContact CE1-CG2 3.73Å; F182-V186 HydrophobicContact CE2-CG2 4.01Å; F182-V186 HydrophobicContact CZ-CG2 3.59Å; F182-V186 WeakPolarHBondContact O-CG2 3.28Å; F182-V186 PolarHBondContact O-N 3.2Å; F182-P247 WeakPolarHBondContact CD2-O 3.5Å; F182-P247 HydrophobicContact CE2-CB 4.02Å; F182-M251 HydrophobicContact CD2-CG 3.66Å; F182-M251 HydrophobicContact CE2-CG 3.61Å; F182-M251 HydrophobicContact CE2-SD 4.41Å |
| 183 | V | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 177.3 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | V81 M84 L85 V166 M179 P180 S185 V186 V187 | V81-V183 HydrophobicContact CG1-CG1 4.45Å; M84-V183 HydrophobicContact CB-CG2 3.69Å; M84-V183 HydrophobicContact SD-CG2 4.27Å; L85-V183 HydrophobicContact CD1-CG1 4.31Å; L85-V183 HydrophobicContact CD2-CG1 3.95Å; L85-V183 HydrophobicContact CD2-CG2 4.41Å; L85-V183 HydrophobicContact CG-CG1 4.2Å; L85-V183 HydrophobicContact CG-CG2 4.39Å; V166-V183 HydrophobicContact CB-CG1 4.45Å; V166-V183 HydrophobicContact CG1-CG1 3.88Å; V166-V183 HydrophobicContact CG2-CG1 3.71Å; M179-V183 HydrophobicContact SD-CG1 4.38Å; P180-V183 HydrophobicContact CB-CG2 4.16Å; P180-V183 HydrophobicContact CG-CG2 4.4Å; P180-V183 WeakPolarHBondContact O-CB 3.12Å; P180-V183 PolarHBondContact O-N 2.9Å; V183-S185 VanDerWaalsContact C-N 3.33Å; V183-S185 PolarHBondContact O-N 3.36Å; V183-V186 PolarHBondContact O-N 3.32Å; V183-V187 PolarHBondContact O-N 3.04Å |
| 184 | W | 98.5 | Very high | 96.8 | Very high | 37 Ų | 37 | 30.6 Ų | 30.6 | 14% | 0.14 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.2 | -45.3 | 172 | -95 | 112.5 | 0 | 0 | 0 | 112.5 | L176 M179 P180 L181 F182 V186 V187 I188 I272 M275 L276 | L176-W184 HydrophobicContact CB-CZ2 4.12Å; L176-W184 WeakPolarHBondContact O-CZ2 3.4Å; L176-W184 PolarHBondContact O-NE1 3.13Å; M179-W184 HydrophobicContact CE-CD2 3.74Å; M179-W184 HydrophobicContact CE-CE3 4.34Å; M179-W184 HydrophobicContact CE-CG 4.13Å; M179-W184 HydrophobicContact CE-CH2 4.23Å; M179-W184 HydrophobicContact CE-CZ2 3.6Å; P180-W184 PolarHBondContact O-N 2.98Å; L181-W184 PolarHBondContact O-N 3.12Å; F182-W184 VanDerWaalsContact C-N 3.34Å; F182-W184 PolarHBondContact O-N 3.46Å; W184-V186 VanDerWaalsContact C-N 3.33Å; W184-V186 PolarHBondContact O-N 2.98Å; W184-V187 HydrophobicContact CE3-CG1 3.9Å; W184-V187 HydrophobicContact CZ3-CG1 4.38Å; W184-V187 VanDerWaalsContact O-CG1 3.28Å; W184-V187 WeakPolarHBondContact O-CG1 3.41Å; W184-V187 PolarHBondContact O-N 3.06Å; W184-I188 HydrophobicContact CE3-CD1 4.2Å; W184-I188 HydrophobicContact CE3-CG1 4.3Å; W184-I188 WeakPolarHBondContact O-CD1 3.38Å; W184-I188 VanDerWaalsContact O-CG1 3.24Å; W184-I188 WeakPolarHBondContact O-CG1 3.49Å; W184-I188 PolarHBondContact O-N 3.3Å; W184-I188 VanDerWaalsContact O-N 3.08Å; W184-I272 HydrophobicContact CD2-CG1 4.39Å; W184-I272 HydrophobicContact CD2-CG2 3.76Å; W184-I272 HydrophobicContact CE3-CG2 4.09Å; W184-I272 HydrophobicContact CG-CD1 4.36Å; W184-I272 HydrophobicContact CG-CG1 3.98Å; W184-I272 HydrophobicContact CG-CG2 4.2Å; W184-I272 HydrophobicContact CH2-CG2 4.3Å; W184-I272 HydrophobicContact CZ2-CG2 3.98Å; W184-I272 HydrophobicContact CZ3-CG2 4.35Å; W184-M275 HydrophobicContact CB-CE 3.91Å; W184-L276 HydrophobicContact CZ3-CD2 4.32Å |
| 185 | S | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64 | -38.2 | 179.5 | 71.1 | 0 | 0 | 0 | 0 | 112.7 | L181 F182 V183 T189 L246 P247 | L181-S185 WeakPolarHBondContact O-CB 3.27Å; L181-S185 PolarHBondContact O-N 3.44Å; L181-S185 PolarHBondContact O-OG 3.37Å; F182-S185 WeakPolarHBondContact CA-OG 3.3Å; F182-S185 PolarHBondContact O-N 3.26Å; F182-S185 VanDerWaalsContact O-N 3.14Å; F182-S185 PolarHBondContact O-OG 2.96Å; V183-S185 VanDerWaalsContact C-N 3.33Å; V183-S185 PolarHBondContact O-N 3.36Å; S185-T189 VanDerWaalsContact O-CB 3.3Å; S185-T189 WeakPolarHBondContact O-CB 3.33Å; S185-T189 PolarHBondContact O-N 2.89Å; S185-T189 VanDerWaalsContact O-N 3.07Å; S185-T189 PolarHBondContact O-OG1 3.43Å; S185-L246 WeakPolarHBondContact CB-O 3.33Å; S185-P247 WeakPolarHBondContact OG-CA 3.49Å |
| 186 | V | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -70.2 | -41.7 | 177.2 | 176 | 0 | 0 | 0 | 0 | 111.4 | V81 F162 F182 V183 W184 T189 A190 P247 | V81-V186 HydrophobicContact CG2-CB 4.08Å; V81-V186 HydrophobicContact CG2-CG1 3.98Å; V81-V186 HydrophobicContact CG2-CG2 4.08Å; F162-V186 HydrophobicContact CB-CG1 4.31Å; F162-V186 HydrophobicContact CD1-CG1 3.71Å; F162-V186 HydrophobicContact CD2-CG1 4.33Å; F162-V186 HydrophobicContact CE1-CG1 4.14Å; F162-V186 HydrophobicContact CG-CG1 3.86Å; F182-V186 HydrophobicContact CD1-CG2 4.25Å; F182-V186 HydrophobicContact CD2-CG2 4.48Å; F182-V186 HydrophobicContact CE1-CG2 3.73Å; F182-V186 HydrophobicContact CE2-CG2 4.01Å; F182-V186 HydrophobicContact CZ-CG2 3.59Å; F182-V186 WeakPolarHBondContact O-CG2 3.28Å; F182-V186 PolarHBondContact O-N 3.2Å; V183-V186 PolarHBondContact O-N 3.32Å; W184-V186 VanDerWaalsContact C-N 3.33Å; W184-V186 PolarHBondContact O-N 2.98Å; V186-T189 WeakPolarHBondContact O-CB 3.43Å; V186-T189 PolarHBondContact O-N 3.43Å; V186-A190 WeakPolarHBondContact O-CB 3.27Å; V186-A190 PolarHBondContact O-N 3.13Å; V186-P247 HydrophobicContact CG2-CB 4.45Å |
| 187 | V | 98.5 | Very high | 97.6 | Very high | 13 Ų | 13 | 28.1 Ų | 28.1 | 8% | 0.079 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68.1 | -38.4 | 179.5 | 70.3 | 0 | 0 | 0 | 0 | 112.4 | I163 V166 V183 W184 T189 A190 L191 | I163-V187 HydrophobicContact CG1-CG2 4.39Å; V166-V187 HydrophobicContact CB-CB 4.38Å; V166-V187 HydrophobicContact CB-CG2 4.28Å; V166-V187 HydrophobicContact CG1-CB 4.12Å; V166-V187 HydrophobicContact CG1-CG1 4.39Å; V166-V187 HydrophobicContact CG1-CG2 4.19Å; V166-V187 HydrophobicContact CG2-CB 4.32Å; V183-V187 PolarHBondContact O-N 3.04Å; W184-V187 HydrophobicContact CE3-CG1 3.9Å; W184-V187 HydrophobicContact CZ3-CG1 4.38Å; W184-V187 VanDerWaalsContact O-CG1 3.28Å; W184-V187 WeakPolarHBondContact O-CG1 3.41Å; W184-V187 PolarHBondContact O-N 3.06Å; V187-T189 VanDerWaalsContact C-N 3.3Å; V187-T189 PolarHBondContact O-N 3.13Å; V187-A190 PolarHBondContact O-N 2.91Å; V187-L191 WeakPolarHBondContact O-CG 3.3Å; V187-L191 PolarHBondContact O-N 2.95Å |
| 188 | I | 98.7 | Very high | 97.9 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 4% | 0.036 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.7 | -44.2 | 173.8 | -64.5 | 165.9 | 0 | 0 | 0 | 109.4 | W184 A190 L191 L192 L246 M275 L276 | W184-I188 HydrophobicContact CE3-CD1 4.2Å; W184-I188 HydrophobicContact CE3-CG1 4.3Å; W184-I188 WeakPolarHBondContact O-CD1 3.38Å; W184-I188 VanDerWaalsContact O-CG1 3.24Å; W184-I188 WeakPolarHBondContact O-CG1 3.49Å; W184-I188 PolarHBondContact O-N 3.3Å; W184-I188 VanDerWaalsContact O-N 3.08Å; I188-A190 VanDerWaalsContact C-N 3.35Å; I188-A190 PolarHBondContact O-N 2.9Å; I188-L191 WeakPolarHBondContact O-CB 3.42Å; I188-L191 PolarHBondContact O-N 3.45Å; I188-L192 WeakPolarHBondContact O-CG 3.19Å; I188-L192 PolarHBondContact O-N 3.08Å; I188-L246 HydrophobicContact CB-CD1 4.33Å; I188-L246 HydrophobicContact CG2-CD1 3.65Å; I188-M275 HydrophobicContact CD1-CB 3.5Å; I188-L276 HydrophobicContact CD1-CD2 3.9Å; I188-L276 HydrophobicContact CD1-CG 3.98Å; I188-L276 HydrophobicContact CG1-CD2 3.91Å |
| 189 | T | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.9 | -41.3 | 177.2 | -58.7 | 0 | 0 | 0 | 0 | 112.7 | I73 S185 V186 V187 L191 L192 L193 I243 L246 P247 | I73-T189 HydrophobicContact CD1-CG2 3.2Å; I73-T189 HydrophobicContact CG1-CG2 3.92Å; S185-T189 VanDerWaalsContact O-CB 3.3Å; S185-T189 WeakPolarHBondContact O-CB 3.33Å; S185-T189 PolarHBondContact O-N 2.89Å; S185-T189 VanDerWaalsContact O-N 3.07Å; S185-T189 PolarHBondContact O-OG1 3.43Å; V186-T189 WeakPolarHBondContact O-CB 3.43Å; V186-T189 PolarHBondContact O-N 3.43Å; V187-T189 VanDerWaalsContact C-N 3.3Å; V187-T189 PolarHBondContact O-N 3.13Å; T189-L191 VanDerWaalsContact C-N 3.33Å; T189-L191 PolarHBondContact O-N 3.31Å; T189-L192 WeakPolarHBondContact O-CB 3.39Å; T189-L192 PolarHBondContact O-N 3.47Å; T189-L193 PolarHBondContact O-N 3.28Å; T189-I243 HydrophobicContact CG2-CB 3.93Å; T189-I243 HydrophobicContact CG2-CG1 4.01Å; T189-I243 HydrophobicContact CG2-CG2 3.66Å; T189-L246 WeakPolarHBondContact OG1-CB 3.28Å; T189-P247 HydrophobicContact CG2-CG 4.31Å |
| 190 | A | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 3% | 0.025 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.3 | -38.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A159 F162 I163 V186 V187 I188 L193 L194 | A159-A190 HydrophobicContact CB-CB 4.01Å; A159-A190 WeakPolarHBondContact CB-O 3.39Å; F162-A190 HydrophobicContact CB-CB 4.01Å; I163-A190 HydrophobicContact CD1-CB 4.09Å; I163-A190 HydrophobicContact CG1-CB 3.72Å; V186-A190 WeakPolarHBondContact O-CB 3.27Å; V186-A190 PolarHBondContact O-N 3.13Å; V187-A190 PolarHBondContact O-N 2.91Å; I188-A190 VanDerWaalsContact C-N 3.35Å; I188-A190 PolarHBondContact O-N 2.9Å; A190-L193 PolarHBondContact O-N 2.96Å; A190-L194 WeakPolarHBondContact O-CB 3.5Å; A190-L194 PolarHBondContact O-N 2.91Å |
| 191 | L | 98.7 | Very high | 98.5 | Very high | 76 Ų | 76 | 22 Ų | 22 | 40% | 0.398 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 173.3 | -71.4 | 168.1 | 0 | 0 | 0 | 112 | I163 V187 I188 T189 L194 L195 | I163-L191 HydrophobicContact CD1-CD2 3.82Å; I163-L191 HydrophobicContact CD1-CG 4.22Å; I163-L191 HydrophobicContact CG1-CD2 4.34Å; I163-L191 HydrophobicContact CG1-CG 4.43Å; V187-L191 WeakPolarHBondContact O-CG 3.3Å; V187-L191 PolarHBondContact O-N 2.95Å; I188-L191 WeakPolarHBondContact O-CB 3.42Å; I188-L191 PolarHBondContact O-N 3.45Å; T189-L191 VanDerWaalsContact C-N 3.33Å; T189-L191 PolarHBondContact O-N 3.31Å; L191-L194 PolarHBondContact O-N 3.43Å; L191-L195 WeakPolarHBondContact O-CG 3.36Å; L191-L195 PolarHBondContact O-N 3.25Å |
| 192 | L | 98.7 | Very high | 98.6 | Very high | 4 Ų | 4 | 23.1 Ų | 23.1 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58.8 | -51.7 | 174.2 | -66.1 | 175.3 | 0 | 0 | 0 | 110.8 | I188 T189 L194 L195 S196 P239 I243 L246 G279 F283 | I188-L192 WeakPolarHBondContact O-CG 3.19Å; I188-L192 PolarHBondContact O-N 3.08Å; T189-L192 WeakPolarHBondContact O-CB 3.39Å; T189-L192 PolarHBondContact O-N 3.47Å; L192-L194 VanDerWaalsContact C-N 3.35Å; L192-L194 PolarHBondContact O-N 2.96Å; L192-L195 PolarHBondContact O-N 3.32Å; L192-S196 VanDerWaalsContact O-CB 3.29Å; L192-S196 WeakPolarHBondContact O-CB 3.5Å; L192-S196 PolarHBondContact O-N 3.44Å; L192-S196 PolarHBondContact O-OG 3.46Å; L192-P239 HydrophobicContact CD2-CB 4.41Å; L192-I243 HydrophobicContact CB-CD1 3.74Å; L192-I243 HydrophobicContact CB-CG1 3.51Å; L192-I243 HydrophobicContact CD1-CG1 3.96Å; L192-I243 HydrophobicContact CG-CG1 4.39Å; L192-L246 HydrophobicContact CD1-CD1 3.67Å; L192-G279 WeakPolarHBondContact CD2-O 3.28Å; L192-F283 HydrophobicContact CD2-CD2 4.22Å; L192-F283 HydrophobicContact CD2-CE2 3.47Å; L192-F283 VanDerWaalsContact CD2-CE2 3.47Å; L192-F283 HydrophobicContact CD2-CZ 3.9Å |
| 193 | L | 98.5 | Very high | 98.6 | Very high | 3 Ų | 3 | 23.1 Ų | 23.1 | 2% | 0.016 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -56.8 | -45.9 | 179.5 | -78.2 | 170.5 | 0 | 0 | 0 | 112.5 | M69 I73 A159 T189 A190 L195 L197 I243 | M69-L193 HydrophobicContact CE-CD2 4.09Å; M69-L193 HydrophobicContact SD-CD2 4.27Å; I73-L193 HydrophobicContact CD1-CD1 3.66Å; A159-L193 HydrophobicContact CB-CB 3.97Å; T189-L193 PolarHBondContact O-N 3.28Å; A190-L193 PolarHBondContact O-N 2.96Å; L193-L195 VanDerWaalsContact C-N 3.27Å; L193-L195 PolarHBondContact O-N 2.9Å; L193-L197 HydrophobicContact CB-CD1 4.29Å; L193-L197 HydrophobicContact CD2-CD1 3.58Å; L193-L197 HydrophobicContact CD2-CG 4.15Å; L193-L197 WeakPolarHBondContact O-CB 3.31Å; L193-L197 PolarHBondContact O-N 3.24Å; L193-I243 HydrophobicContact CB-CD1 4.5Å; L193-I243 HydrophobicContact CD1-CG2 4.27Å; L193-I243 HydrophobicContact CD2-CD1 3.7Å; L193-I243 HydrophobicContact CD2-CG1 4.32Å; L193-I243 HydrophobicContact CD2-CG2 3.79Å; L193-I243 HydrophobicContact CG-CD1 3.82Å; L193-I243 HydrophobicContact CG-CG1 4.09Å; L193-I243 HydrophobicContact CG-CG2 3.9Å |
| 194 | L | 98.4 | Very high | 98.6 | Very high | 60 Ų | 60 | 23.2 Ų | 23.2 | 31% | 0.314 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62.1 | -35.4 | -178.3 | -177.7 | 62.9 | 0 | 0 | 0 | 112.4 | I156 A159 V160 I163 A190 L191 L192 P198 | I156-L194 HydrophobicContact CG2-CD1 4.08Å; A159-L194 HydrophobicContact CB-CB 4.42Å; V160-L194 HydrophobicContact CG2-CD1 3.93Å; I163-L194 HydrophobicContact CD1-CB 4.49Å; I163-L194 HydrophobicContact CD1-CD2 3.9Å; A190-L194 WeakPolarHBondContact O-CB 3.5Å; A190-L194 PolarHBondContact O-N 2.91Å; L191-L194 PolarHBondContact O-N 3.43Å; L192-L194 VanDerWaalsContact C-N 3.35Å; L192-L194 PolarHBondContact O-N 2.96Å; L194-P198 WeakPolarHBondContact O-CD 3.37Å; L194-P198 WeakPolarHBondContact O-CG 3.3Å |
| 195 | L | 98.4 | Very high | 98.6 | Very high | 102 Ų | 102 | 24.3 Ų | 24.3 | 53% | 0.534 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -92 | -33.6 | -175.7 | -64.7 | 175.8 | 0 | 0 | 0 | 113.1 | L191 L192 L193 F283 | L191-L195 WeakPolarHBondContact O-CG 3.36Å; L191-L195 PolarHBondContact O-N 3.25Å; L192-L195 PolarHBondContact O-N 3.32Å; L193-L195 VanDerWaalsContact C-N 3.27Å; L193-L195 PolarHBondContact O-N 2.9Å; L195-F283 HydrophobicContact CB-CE1 4.16Å; L195-F283 HydrophobicContact CB-CE2 4.42Å; L195-F283 HydrophobicContact CB-CZ 3.65Å; L195-F283 HydrophobicContact CD1-CE2 4.22Å; L195-F283 HydrophobicContact CD1-CZ 4.26Å |
| 196 | S | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -87.6 | -41.2 | -173.5 | 71.4 | 0 | 0 | 0 | 0 | 113.4 | L192 V199 L200 | L192-S196 VanDerWaalsContact O-CB 3.29Å; L192-S196 WeakPolarHBondContact O-CB 3.5Å; L192-S196 PolarHBondContact O-N 3.44Å; L192-S196 PolarHBondContact O-OG 3.46Å; S196-V199 WeakPolarHBondContact O-CB 3.31Å; S196-V199 PolarHBondContact O-N 2.85Å; S196-L200 PolarHBondContact O-N 3.39Å |
| 197 | L | 98.2 | Very high | 98.6 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.7 | -35.3 | -175.2 | -76.2 | 172.6 | 0 | 0 | 0 | 114.8 | S155 I156 L193 V199 L200 A201 F236 | S155-L197 VanDerWaalsContact CB-CD1 3.45Å; I156-L197 HydrophobicContact CD1-CB 3.97Å; I156-L197 HydrophobicContact CG1-CB 3.98Å; I156-L197 HydrophobicContact CG1-CD1 3.94Å; L193-L197 HydrophobicContact CB-CD1 4.29Å; L193-L197 HydrophobicContact CD2-CD1 3.58Å; L193-L197 HydrophobicContact CD2-CG 4.15Å; L193-L197 WeakPolarHBondContact O-CB 3.31Å; L193-L197 PolarHBondContact O-N 3.24Å; L197-V199 PolarHBondContact O-N 2.61Å; L197-L200 HydrophobicContact CD2-CD2 4.35Å; L197-L200 PolarHBondContact O-N 2.91Å; L197-A201 PolarHBondContact O-N 3.02Å; L197-F236 HydrophobicContact CD2-CD2 3.97Å; L197-F236 HydrophobicContact CD2-CE2 3.43Å; L197-F236 VanDerWaalsContact CD2-CE2 3.43Å; L197-F236 HydrophobicContact CD2-CZ 4.18Å; L197-F236 HydrophobicContact CG-CE2 4.22Å |
| 198 | P | 98.7 | Very high | 98.6 | Very high | 67 Ų | 67 | 26.9 Ų | 26.9 | 44% | 0.435 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -58.5 | -30.8 | 173.2 | -27.2 | 36.7 | 0 | 0 | 0 | 113.5 | I156 L194 A201 G202 | I156-P198 HydrophobicContact CD1-CG 4.3Å; L194-P198 WeakPolarHBondContact O-CD 3.37Å; L194-P198 WeakPolarHBondContact O-CG 3.3Å; P198-A201 PolarHBondContact O-N 3.19Å; P198-G202 PolarHBondContact O-N 2.86Å |
| 199 | V | 98.7 | Very high | 98.6 | Very high | 39 Ų | 39 | 27.8 Ų | 27.8 | 24% | 0.236 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.7 | -42.4 | 177.6 | -175.6 | 0 | 0 | 0 | 0 | 110.9 | S196 L197 G202 A203 L232 F235 | S196-V199 WeakPolarHBondContact O-CB 3.31Å; S196-V199 PolarHBondContact O-N 2.85Å; L197-V199 PolarHBondContact O-N 2.61Å; V199-G202 PolarHBondContact O-N 3.18Å; V199-A203 PolarHBondContact O-N 3.49Å; V199-L232 HydrophobicContact CG1-CB 4.37Å; V199-L232 HydrophobicContact CG1-CD2 4.05Å; V199-F235 HydrophobicContact CB-CD1 3.89Å; V199-F235 HydrophobicContact CB-CE1 4.4Å; V199-F235 HydrophobicContact CG1-CB 4.27Å; V199-F235 HydrophobicContact CG1-CD1 3.78Å; V199-F235 HydrophobicContact CG1-CG 4.31Å; V199-F235 HydrophobicContact CG2-CD1 3.67Å; V199-F235 HydrophobicContact CG2-CE1 3.69Å |
| 200 | L | 98.5 | Very high | 98.6 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.2 | -50.3 | 171.1 | 177.6 | 65.8 | 0 | 0 | 0 | 110.6 | S196 L197 G202 A203 I204 F233 F236 | S196-L200 PolarHBondContact O-N 3.39Å; L197-L200 HydrophobicContact CD2-CD2 4.35Å; L197-L200 PolarHBondContact O-N 2.91Å; L200-G202 VanDerWaalsContact C-N 3.25Å; L200-G202 PolarHBondContact O-N 3.23Å; L200-A203 WeakPolarHBondContact O-CB 3.35Å; L200-A203 PolarHBondContact O-N 2.96Å; L200-I204 HydrophobicContact CD1-CG2 4.01Å; L200-I204 WeakPolarHBondContact O-CG1 3.36Å; L200-I204 PolarHBondContact O-N 3.33Å; L200-F233 HydrophobicContact CD1-CD2 3.96Å; L200-F233 HydrophobicContact CD1-CE2 4.28Å; L200-F236 HydrophobicContact CB-CB 3.87Å; L200-F236 HydrophobicContact CB-CD1 3.86Å; L200-F236 HydrophobicContact CB-CD2 4.03Å; L200-F236 HydrophobicContact CB-CE1 4.5Å; L200-F236 HydrophobicContact CB-CG 3.61Å; L200-F236 HydrophobicContact CD1-CD1 3.83Å; L200-F236 HydrophobicContact CD1-CE1 4.25Å; L200-F236 HydrophobicContact CD1-CG 4.44Å; L200-F236 HydrophobicContact CD2-CD1 3.84Å; L200-F236 HydrophobicContact CD2-CD2 4.4Å; L200-F236 HydrophobicContact CD2-CE1 3.64Å; L200-F236 HydrophobicContact CD2-CE2 4.23Å; L200-F236 HydrophobicContact CD2-CG 4.23Å; L200-F236 HydrophobicContact CD2-CZ 3.85Å; L200-F236 HydrophobicContact CG-CD1 4.04Å; L200-F236 HydrophobicContact CG-CE1 4.34Å; L200-F236 HydrophobicContact CG-CG 4.3Å |
| 201 | A | 98.7 | Very high | 98.5 | Very high | 31 Ų | 31 | 30.6 Ų | 30.6 | 26% | 0.256 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -55.5 | -42 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L197 P198 I204 T205 | L197-A201 PolarHBondContact O-N 3.02Å; P198-A201 PolarHBondContact O-N 3.19Å; A201-I204 WeakPolarHBondContact O-CG1 3.2Å; A201-T205 WeakPolarHBondContact O-CB 3.26Å; A201-T205 PolarHBondContact O-N 3.49Å; A201-T205 PolarHBondContact O-OG1 2.99Å |
| 202 | G | 98.8 | Very high | 98.4 | Very high | 31 Ų | 31 | 31.1 Ų | 31.1 | 32% | 0.32 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.5 | -48.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | P198 V199 L200 T205 M206 | P198-G202 PolarHBondContact O-N 2.86Å; V199-G202 PolarHBondContact O-N 3.18Å; L200-G202 VanDerWaalsContact C-N 3.25Å; L200-G202 PolarHBondContact O-N 3.23Å; G202-T205 PolarHBondContact O-N 3.49Å; G202-M206 WeakPolarHBondContact O-CE 3.31Å; G202-M206 WeakPolarHBondContact O-CG 3.12Å; G202-M206 PolarHBondContact O-N 3.39Å |
| 203 | A | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.1 | -49.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V199 L200 T205 M206 L207 Y229 L232 | V199-A203 PolarHBondContact O-N 3.49Å; L200-A203 WeakPolarHBondContact O-CB 3.35Å; L200-A203 PolarHBondContact O-N 2.96Å; A203-T205 VanDerWaalsContact C-N 3.34Å; A203-M206 PolarHBondContact O-N 2.88Å; A203-L207 PolarHBondContact O-N 3.2Å; A203-Y229 HydrophobicContact CB-CE2 4.34Å; A203-L232 HydrophobicContact CB-CB 3.71Å; A203-L232 HydrophobicContact CB-CD1 4.17Å |
| 204 | I | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -73.8 | -26.1 | -179.3 | 64.4 | 176.2 | 0 | 0 | 0 | 112.3 | I145 L148 H149 L200 A201 L208 | I145-I204 HydrophobicContact CG1-CB 4.33Å; I145-I204 HydrophobicContact CG2-CB 4.04Å; I145-I204 HydrophobicContact CG2-CD1 4.26Å; I145-I204 HydrophobicContact CG2-CG1 4.22Å; L148-I204 HydrophobicContact CB-CD1 3.79Å; H149-I204 VanDerWaalsContact CE1-CD1 3.47Å; H149-I204 WeakPolarHBondContact CE1-CD1 3.36Å; H149-I204 WeakPolarHBondContact CE1-CG1 3.06Å; H149-I204 WeakPolarHBondContact ND1-CD1 3.24Å; L200-I204 HydrophobicContact CD1-CG2 4.01Å; L200-I204 WeakPolarHBondContact O-CG1 3.36Å; L200-I204 PolarHBondContact O-N 3.33Å; A201-I204 WeakPolarHBondContact O-CG1 3.2Å; I204-L208 WeakPolarHBondContact O-CB 3.45Å; I204-L208 PolarHBondContact O-N 3.01Å |
| 205 | T | 98.7 | Very high | 98.1 | Very high | 61 Ų | 61 | 43.5 Ų | 43.5 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.1 | -47.9 | 170.1 | -63.3 | 0 | 0 | 0 | 0 | 110.8 | H149 A201 G202 A203 L207 L208 T209 | H149-T205 PolarHBondContact NE2-OG1 3.01Å; A201-T205 WeakPolarHBondContact O-CB 3.26Å; A201-T205 PolarHBondContact O-N 3.49Å; A201-T205 PolarHBondContact O-OG1 2.99Å; G202-T205 PolarHBondContact O-N 3.49Å; A203-T205 VanDerWaalsContact C-N 3.34Å; T205-L207 PolarHBondContact O-N 2.75Å; T205-L208 WeakPolarHBondContact O-CB 3.49Å; T205-L208 PolarHBondContact O-N 3.07Å; T205-L208 VanDerWaalsContact O-N 3.09Å; T205-T209 HydrophobicContact CG2-CG2 4.48Å; T205-T209 WeakPolarHBondContact O-CG2 3.23Å; T205-T209 PolarHBondContact O-N 2.93Å; T205-T209 PolarHBondContact O-OG1 2.85Å |
| 206 | M | 98.7 | Very high | 98.1 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 19% | 0.192 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.3 | -38.9 | 175.6 | -75.2 | -176 | -75.6 | 0 | 0 | 111.6 | G202 A203 T209 D210 F217 F218 L232 | G202-M206 WeakPolarHBondContact O-CE 3.31Å; G202-M206 WeakPolarHBondContact O-CG 3.12Å; G202-M206 PolarHBondContact O-N 3.39Å; A203-M206 PolarHBondContact O-N 2.88Å; M206-T209 PolarHBondContact O-N 2.71Å; M206-T209 PolarHBondContact O-OG1 3.24Å; M206-D210 WeakPolarHBondContact O-CB 3.02Å; M206-D210 PolarHBondContact O-N 3.27Å; M206-F217 HydrophobicContact CB-CB 4.07Å; M206-F217 HydrophobicContact CB-CD2 3.64Å; M206-F217 HydrophobicContact CB-CE2 4.2Å; M206-F217 HydrophobicContact CB-CG 3.84Å; M206-F217 HydrophobicContact CG-CB 4.44Å; M206-F217 HydrophobicContact CG-CD1 4.02Å; M206-F217 HydrophobicContact CG-CD2 3.67Å; M206-F217 HydrophobicContact CG-CE1 4.15Å; M206-F217 HydrophobicContact CG-CE2 3.81Å; M206-F217 HydrophobicContact CG-CG 3.79Å; M206-F217 HydrophobicContact CG-CZ 4.05Å; M206-F217 HydrophobicContact SD-CB 4.28Å; M206-F217 HydrophobicContact SD-CD1 3.53Å; M206-F217 VanDerWaalsContact SD-CD1 3.53Å; M206-F217 HydrophobicContact SD-CD2 4.28Å; M206-F217 HydrophobicContact SD-CE1 3.83Å; M206-F217 HydrophobicContact SD-CG 3.78Å; M206-F217 HydrophobicContact SD-CZ 4.33Å; M206-F218 HydrophobicContact CB-CE2 3.59Å; M206-F218 HydrophobicContact CB-CZ 3.7Å; M206-F218 HydrophobicContact CE-CZ 4.18Å; M206-F218 HydrophobicContact SD-CZ 4.44Å; M206-L232 HydrophobicContact CE-CD1 3.26Å |
| 207 | L | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 175.5 | 177.7 | 63 | 0 | 0 | 0 | 111.4 | V126 P128 S131 I145 A203 T205 T209 D210 R211 F218 Y229 | V126-L207 HydrophobicContact CG1-CD2 3.73Å; P128-L207 HydrophobicContact CB-CD1 4.26Å; S131-L207 WeakPolarHBondContact OG-CD2 3.42Å; I145-L207 HydrophobicContact CD1-CB 4.49Å; I145-L207 HydrophobicContact CD1-CD2 4Å; I145-L207 HydrophobicContact CD1-CG 4.11Å; A203-L207 PolarHBondContact O-N 3.2Å; T205-L207 PolarHBondContact O-N 2.75Å; L207-T209 VanDerWaalsContact C-N 3.3Å; L207-T209 PolarHBondContact O-N 3.1Å; L207-D210 PolarHBondContact O-N 2.78Å; L207-R211 HydrophobicContact CD1-CG 4.36Å; L207-R211 VanDerWaalsContact O-CG 3.23Å; L207-R211 WeakPolarHBondContact O-CG 3.38Å; L207-R211 PolarHBondContact O-N 3.37Å; L207-F218 HydrophobicContact CB-CD2 4.31Å; L207-F218 HydrophobicContact CB-CE2 4.02Å; L207-F218 HydrophobicContact CD1-CD2 4.42Å; L207-Y229 HydrophobicContact CB-CE2 4.07Å; L207-Y229 HydrophobicContact CD2-CE2 3.9Å |
| 208 | L | 98.4 | Very high | 98.1 | Very high | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.147 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61 | -40.7 | 176.9 | -172.9 | 69.3 | 0 | 0 | 0 | 111.3 | D142 I145 F146 I204 T205 R211 N212 | D142-L208 HydrophobicContact CB-CD1 3.95Å; D142-L208 WeakPolarHBondContact OD1-CD1 3.34Å; I145-L208 HydrophobicContact CD1-CB 4.23Å; I145-L208 HydrophobicContact CD1-CD1 4.24Å; I145-L208 HydrophobicContact CG2-CB 4.21Å; I145-L208 HydrophobicContact CG2-CD1 4.3Å; I145-L208 HydrophobicContact CG2-CD2 4.36Å; F146-L208 HydrophobicContact CE1-CD2 3.79Å; F146-L208 HydrophobicContact CZ-CD1 4.36Å; F146-L208 HydrophobicContact CZ-CD2 3.88Å; I204-L208 WeakPolarHBondContact O-CB 3.45Å; I204-L208 PolarHBondContact O-N 3.01Å; T205-L208 WeakPolarHBondContact O-CB 3.49Å; T205-L208 PolarHBondContact O-N 3.07Å; T205-L208 VanDerWaalsContact O-N 3.09Å; L208-R211 PolarHBondContact O-N 3.13Å; L208-N212 WeakPolarHBondContact O-CB 3.18Å; L208-N212 PolarHBondContact O-N 3.43Å; L208-N212 PolarHBondContact O-ND2 2.84Å |
| 209 | T | 98.3 | Very high | 97.9 | Very high | 26 Ų | 26 | 45.1 Ų | 45.1 | 16% | 0.16 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.3 | -32.5 | 177.5 | 61.3 | 0 | 0 | 0 | 0 | 112.4 | T205 M206 L207 R211 N212 L213 N214 T215 | T205-T209 HydrophobicContact CG2-CG2 4.48Å; T205-T209 WeakPolarHBondContact O-CG2 3.23Å; T205-T209 PolarHBondContact O-N 2.93Å; T205-T209 PolarHBondContact O-OG1 2.85Å; M206-T209 PolarHBondContact O-N 2.71Å; M206-T209 PolarHBondContact O-OG1 3.24Å; L207-T209 VanDerWaalsContact C-N 3.3Å; L207-T209 PolarHBondContact O-N 3.1Å; T209-R211 VanDerWaalsContact C-N 3.27Å; T209-R211 PolarHBondContact O-N 3.49Å; T209-N212 PolarHBondContact O-N 3.33Å; T209-L213 HydrophobicContact CG2-CD1 3.79Å; T209-L213 HydrophobicContact CG2-CG 4.49Å; T209-L213 CarbonylContact O-C 3.4Å; T209-L213 VanDerWaalsContact O-CA 3.31Å; T209-L213 WeakPolarHBondContact O-CA 3.21Å; T209-L213 WeakPolarHBondContact O-CB 3.49Å; T209-L213 PolarHBondContact O-N 3.1Å; T209-N214 PolarHBondContact O-N 3.13Å; T209-T215 VanDerWaalsContact CB-OG1 3.27Å; T209-T215 WeakPolarHBondContact CB-OG1 3.3Å; T209-T215 PolarHBondContact O-N 3.07Å; T209-T215 PolarHBondContact O-OG1 3.1Å; T209-T215 PolarHBondContact OG1-OG1 2.82Å |
| 210 | D | 98.1 | Very high | 97.9 | Very high | 28 Ų | 28 | 47.3 Ų | 47.3 | 15% | 0.15 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 173 | -82.2 | 12.5 | 0 | 0 | 0 | 110.6 | M206 L207 T215 S216 F217 F218 | M206-D210 WeakPolarHBondContact O-CB 3.02Å; M206-D210 PolarHBondContact O-N 3.27Å; L207-D210 PolarHBondContact O-N 2.78Å; D210-T215 WeakPolarHBondContact CA-O 3.41Å; D210-T215 WeakPolarHBondContact CA-OG1 3.4Å; D210-T215 PolarHBondContact N-OG1 3.01Å; D210-T215 VanDerWaalsContact OD1-CB 3.32Å; D210-T215 WeakPolarHBondContact OD1-CB 3.49Å; D210-T215 VanDerWaalsContact OD1-O 3.1Å; D210-T215 PolarHBondContact OD1-OG1 3.41Å; D210-S216 WeakPolarHBondContact OD1-CA 3.28Å; D210-S216 PolarHBondContact OD1-N 3.46Å; D210-S216 VanDerWaalsContact OD1-N 3.1Å; D210-F217 VanDerWaalsContact CG-N 3.33Å; D210-F217 WeakPolarHBondContact OD1-CD2 3.35Å; D210-F217 PolarHBondContact OD1-N 3.38Å; D210-F217 PolarHBondContact OD2-N 2.82Å; D210-F218 PolarHBondContact OD2-N 2.88Å |
| 211 | R | 97.3 | Very high | 97.7 | Very high | 34 Ų | 34 | 51.5 Ų | 51.5 | 13% | 0.128 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.9 | -37.7 | 178.5 | -69.6 | 169.3 | 57.7 | 66.8 | 15.7 | 113.7 | S131 H136 G138 D142 L207 L208 T209 | S131-R211 WeakPolarHBondContact O-CD 3.35Å; S131-R211 PolarHBondContact O-NH1 3.42Å; H136-R211 PolarHBondContact O-NH1 3.41Å; H136-R211 PolarHBondContact O-NH2 3.35Å; G138-R211 PolarHBondContact O-NH2 2.92Å; D142-R211 IonicContact OD1-CZ 3.62Å; D142-R211 IonicContact OD1-NE 2.77Å; D142-R211 PolarHBondContact OD1-NE 3.12Å; D142-R211 IonicContact OD1-NH2 3.53Å; D142-R211 PolarHBondContact OD1-NH2 3.11Å; D142-R211 IonicContact OD2-CZ 3.82Å; D142-R211 IonicContact OD2-NE 3.4Å; D142-R211 IonicContact OD2-NH2 3.61Å; D142-R211 PolarHBondContact OD2-NH2 2.73Å; L207-R211 HydrophobicContact CD1-CG 4.36Å; L207-R211 VanDerWaalsContact O-CG 3.23Å; L207-R211 WeakPolarHBondContact O-CG 3.38Å; L207-R211 PolarHBondContact O-N 3.37Å; L208-R211 PolarHBondContact O-N 3.13Å; T209-R211 VanDerWaalsContact C-N 3.27Å; T209-R211 PolarHBondContact O-N 3.49Å |
| 212 | N | 97.6 | Very high | 97.6 | Very high | 86 Ų | 86 | 52.1 Ų | 52.1 | 46% | 0.46 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -120.9 | -20.2 | -165 | -63.1 | -81.3 | 0 | 0 | 0 | 115.2 | D142 L208 T209 | D142-N212 PolarHBondContact OD1-ND2 2.9Å; L208-N212 WeakPolarHBondContact O-CB 3.18Å; L208-N212 PolarHBondContact O-N 3.43Å; L208-N212 PolarHBondContact O-ND2 2.84Å; T209-N212 PolarHBondContact O-N 3.33Å |
| 213 | L | 97.2 | Very high | 97.5 | Very high | 123 Ų | 123 | 54.1 Ų | 54.1 | 64% | 0.644 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -121.4 | 14 | -174.1 | -58.6 | -177.4 | 0 | 0 | 0 | 113.3 | T209 T215 | T209-L213 HydrophobicContact CG2-CD1 3.79Å; T209-L213 HydrophobicContact CG2-CG 4.49Å; T209-L213 CarbonylContact O-C 3.4Å; T209-L213 VanDerWaalsContact O-CA 3.31Å; T209-L213 WeakPolarHBondContact O-CA 3.21Å; T209-L213 WeakPolarHBondContact O-CB 3.49Å; T209-L213 PolarHBondContact O-N 3.1Å; L213-T215 PolarHBondContact O-N 3.36Å |
| 214 | N | 94.4 | Very high | 97.4 | Very high | 156 Ų | 156 | 54.9 Ų | 54.9 | 83% | 0.834 | 34% | 0.343 | S | S | * | . | trans | 54.7 | 29.6 | -179.9 | -56.9 | -56.3 | 0 | 0 | 0 | 114.1 | T209 | T209-N214 PolarHBondContact O-N 3.13Š| ||
| 215 | T | 97.6 | Very high | 97.4 | Very high | 48 Ų | 48 | 58.4 Ų | 58.4 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | trans | -73.4 | 166.6 | 163.5 | 63 | 0 | 0 | 0 | 0 | 109.5 | T209 D210 L213 F217 | T209-T215 VanDerWaalsContact CB-OG1 3.27Å; T209-T215 WeakPolarHBondContact CB-OG1 3.3Å; T209-T215 PolarHBondContact O-N 3.07Å; T209-T215 PolarHBondContact O-OG1 3.1Å; T209-T215 PolarHBondContact OG1-OG1 2.82Å; D210-T215 WeakPolarHBondContact CA-O 3.41Å; D210-T215 WeakPolarHBondContact CA-OG1 3.4Å; D210-T215 PolarHBondContact N-OG1 3.01Å; D210-T215 VanDerWaalsContact OD1-CB 3.32Å; D210-T215 WeakPolarHBondContact OD1-CB 3.49Å; D210-T215 VanDerWaalsContact OD1-O 3.1Å; D210-T215 PolarHBondContact OD1-OG1 3.41Å; L213-T215 PolarHBondContact O-N 3.36Å; T215-F217 HydrophobicContact CG2-CE2 4.06Å; T215-F217 WeakPolarHBondContact OG1-CD2 3.4Å | ||
| 216 | S | 97.3 | Very high | 97.3 | Very high | 45 Ų | 45 | 56.8 Ų | 56.8 | 32% | 0.315 | 35% | 0.352 | S | S | . | . | trans | -138.5 | 46.9 | -177 | 58.3 | 0 | 0 | 0 | 0 | 111.6 | D210 F218 G222 G224 | D210-S216 WeakPolarHBondContact OD1-CA 3.28Å; D210-S216 PolarHBondContact OD1-N 3.46Å; D210-S216 VanDerWaalsContact OD1-N 3.1Å; S216-F218 VanDerWaalsContact C-N 3.3Å; S216-F218 PolarHBondContact O-N 3.24Å; S216-G222 PolarHBondContact OG-O 3.05Å; S216-G222 VanDerWaalsContact OG-O 3.07Å; S216-G224 WeakPolarHBondContact O-CA 3.5Å; S216-G224 PolarHBondContact O-N 3.45Å | ||
| 217 | F | 98.3 | Very high | 97.3 | Very high | 88 Ų | 88 | 57.2 Ų | 57.2 | 39% | 0.386 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -63.4 | -37 | 178 | -69.7 | -75.8 | 0 | 0 | 0 | 112.2 | M206 D210 T215 G224 D225 | M206-F217 HydrophobicContact CB-CB 4.07Å; M206-F217 HydrophobicContact CB-CD2 3.64Å; M206-F217 HydrophobicContact CB-CE2 4.2Å; M206-F217 HydrophobicContact CB-CG 3.84Å; M206-F217 HydrophobicContact CG-CB 4.44Å; M206-F217 HydrophobicContact CG-CD1 4.02Å; M206-F217 HydrophobicContact CG-CD2 3.67Å; M206-F217 HydrophobicContact CG-CE1 4.15Å; M206-F217 HydrophobicContact CG-CE2 3.81Å; M206-F217 HydrophobicContact CG-CG 3.79Å; M206-F217 HydrophobicContact CG-CZ 4.05Å; M206-F217 HydrophobicContact SD-CB 4.28Å; M206-F217 HydrophobicContact SD-CD1 3.53Å; M206-F217 VanDerWaalsContact SD-CD1 3.53Å; M206-F217 HydrophobicContact SD-CD2 4.28Å; M206-F217 HydrophobicContact SD-CE1 3.83Å; M206-F217 HydrophobicContact SD-CG 3.78Å; M206-F217 HydrophobicContact SD-CZ 4.33Å; D210-F217 VanDerWaalsContact CG-N 3.33Å; D210-F217 WeakPolarHBondContact OD1-CD2 3.35Å; D210-F217 PolarHBondContact OD1-N 3.38Å; D210-F217 PolarHBondContact OD2-N 2.82Å; T215-F217 HydrophobicContact CG2-CE2 4.06Å; T215-F217 WeakPolarHBondContact OG1-CD2 3.4Å; F217-G224 CarbonylContact O-C 3.56Å; F217-G224 WeakPolarHBondContact O-CA 3.4Å; F217-D225 PolarHBondContact O-N 3.13Å |
| 218 | F | 98.2 | Very high | 97.2 | Very high | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -119.2 | 3.8 | -175.2 | -48.9 | -55.5 | 0 | 0 | 0 | 113.5 | P128 M206 L207 D210 S216 P220 D225 P226 L228 Y229 L232 | P128-F218 HydrophobicContact CB-CB 4.01Å; P128-F218 HydrophobicContact CG-CB 3.63Å; P128-F218 HydrophobicContact CG-CD2 4.16Å; P128-F218 HydrophobicContact CG-CG 3.9Å; M206-F218 HydrophobicContact CB-CE2 3.59Å; M206-F218 HydrophobicContact CB-CZ 3.7Å; M206-F218 HydrophobicContact CE-CZ 4.18Å; M206-F218 HydrophobicContact SD-CZ 4.44Å; L207-F218 HydrophobicContact CB-CD2 4.31Å; L207-F218 HydrophobicContact CB-CE2 4.02Å; L207-F218 HydrophobicContact CD1-CD2 4.42Å; D210-F218 PolarHBondContact OD2-N 2.88Å; S216-F218 VanDerWaalsContact C-N 3.3Å; S216-F218 PolarHBondContact O-N 3.24Å; F218-P220 WeakPolarHBondContact O-CD 3.48Å; F218-D225 WeakPolarHBondContact CD1-O 3.22Å; F218-P226 VanDerWaalsContact O-CD 3.3Å; F218-P226 WeakPolarHBondContact O-CD 3.43Å; F218-P226 VanDerWaalsContact O-CG 3.29Å; F218-P226 WeakPolarHBondContact O-CG 3.33Å; F218-L228 HydrophobicContact CD1-CB 4.4Å; F218-L228 HydrophobicContact CE1-CB 4.28Å; F218-L228 HydrophobicContact CE1-CD2 4.24Å; F218-L228 HydrophobicContact CE1-CG 4.13Å; F218-Y229 HydrophobicContact CD2-CD2 4Å; F218-Y229 HydrophobicContact CE1-CD2 4.17Å; F218-Y229 HydrophobicContact CE1-CG 4.41Å; F218-Y229 AromaticContact CE2-CD2 3.57Å; F218-Y229 HydrophobicContact CE2-CD2 3.57Å; F218-Y229 HydrophobicContact CE2-CE2 4.38Å; F218-Y229 HydrophobicContact CE2-CG 4.49Å; F218-Y229 HydrophobicContact CG-CD2 4.46Å; F218-Y229 AromaticContact CZ-CD2 3.66Å; F218-Y229 HydrophobicContact CZ-CD2 3.66Å; F218-Y229 HydrophobicContact CZ-CG 4.32Å; F218-L232 HydrophobicContact CE1-CD1 4.36Å; F218-L232 HydrophobicContact CZ-CD1 4.36Å |
| 219 | D | 96.4 | Very high | 97.3 | Very high | 69 Ų | 69 | 59.3 Ų | 59.3 | 37% | 0.369 | 37% | 0.366 | S | S | . | . | trans | -99.1 | 111.5 | 175.8 | -176.7 | 0.6 | 0 | 0 | 0 | 111.1 | A221 G222 G223 G224 | D219-A221 PolarHBondContact O-N 2.89Å; D219-A221 VanDerWaalsContact O-N 3.15Å; D219-A221 WeakPolarHBondContact OD1-CB 3.31Å; D219-A221 PolarHBondContact OD1-N 3.41Å; D219-G222 PolarHBondContact O-N 2.98Å; D219-G223 PolarHBondContact O-N 3Å; D219-G224 WeakPolarHBondContact O-CA 3.27Å; D219-G224 PolarHBondContact O-N 3.43Å | ||
| 220 | P | 96.6 | Very high | 97.3 | Very high | 85 Ų | 85 | 59.6 Ų | 59.6 | 55% | 0.552 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -56.7 | -27.2 | 176.4 | -26.1 | 36.2 | 0 | 0 | 0 | 114.5 | F218 G222 G223 G224 P226 | F218-P220 WeakPolarHBondContact O-CD 3.48Å; P220-G222 PolarHBondContact O-N 3.15Å; P220-G223 PolarHBondContact O-N 2.85Å; P220-G224 WeakPolarHBondContact CA-O 3.38Å; P220-P226 HydrophobicContact CG-CG 4.22Å |
| 221 | A | 95.4 | Very high | 97.3 | Very high | 94 Ų | 94 | 61.4 Ų | 61.4 | 78% | 0.777 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -64.8 | -28.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | D219 | D219-A221 PolarHBondContact O-N 2.89Å; D219-A221 VanDerWaalsContact O-N 3.15Å; D219-A221 WeakPolarHBondContact OD1-CB 3.31Å; D219-A221 PolarHBondContact OD1-N 3.41Å |
| 222 | G | 96.1 | Very high | 97.4 | Very high | 45 Ų | 45 | 61.6 Ų | 61.6 | 46% | 0.464 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -100.7 | 11.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S216 D219 P220 | S216-G222 PolarHBondContact OG-O 3.05Å; S216-G222 VanDerWaalsContact OG-O 3.07Å; D219-G222 PolarHBondContact O-N 2.98Å; P220-G222 PolarHBondContact O-N 3.15Å |
| 223 | G | 96.7 | Very high | 97.4 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 74% | 0.742 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.3 | 10.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | D219 P220 | D219-G223 PolarHBondContact O-N 3Å; P220-G223 PolarHBondContact O-N 2.85Å |
| 224 | G | 97.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 17% | 0.165 | 33% | 0.327 | C | S | . | . | trans | -79.1 | 176.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S216 F217 D219 P220 | S216-G224 WeakPolarHBondContact O-CA 3.5Å; S216-G224 PolarHBondContact O-N 3.45Å; F217-G224 CarbonylContact O-C 3.56Å; F217-G224 WeakPolarHBondContact O-CA 3.4Å; D219-G224 WeakPolarHBondContact O-CA 3.27Å; D219-G224 PolarHBondContact O-N 3.43Å; P220-G224 WeakPolarHBondContact CA-O 3.38Å | ||
| 225 | D | 97.5 | Very high | 97.7 | Very high | 77 Ų | 77 | 47.9 Ų | 47.9 | 41% | 0.412 | 30% | 0.299 | S | S | . | . | trans | -140.2 | 114.3 | -179.7 | -178.9 | 6.3 | 0 | 0 | 0 | 111.9 | F217 F218 I227 L228 | F217-D225 PolarHBondContact O-N 3.13Å; F218-D225 WeakPolarHBondContact CD1-O 3.22Å; D225-I227 PolarHBondContact O-N 3.31Å; D225-I227 WeakPolarHBondContact OD1-CB 3.34Å; D225-I227 PolarHBondContact OD1-N 2.82Å; D225-L228 HydrophobicContact CB-CB 4.26Å; D225-L228 VanDerWaalsContact O-CB 3.22Å; D225-L228 WeakPolarHBondContact O-CB 3.46Å; D225-L228 PolarHBondContact O-N 2.83Å | ||
| 226 | P | 97.2 | Very high | 97.7 | Very high | 27 Ų | 27 | 45.6 Ų | 45.6 | 18% | 0.175 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.4 | -28 | 173.1 | -23.4 | 31.2 | 0 | 0 | 0 | 114.5 | F218 P220 L228 Y229 | F218-P226 VanDerWaalsContact O-CD 3.3Å; F218-P226 WeakPolarHBondContact O-CD 3.43Å; F218-P226 VanDerWaalsContact O-CG 3.29Å; F218-P226 WeakPolarHBondContact O-CG 3.33Å; P220-P226 HydrophobicContact CG-CG 4.22Å; P226-L228 VanDerWaalsContact C-N 3.3Å; P226-L228 PolarHBondContact O-N 3.41Å; P226-Y229 WeakPolarHBondContact O-CB 3.4Å; P226-Y229 PolarHBondContact O-N 3.4Å |
| 227 | I | 97.9 | Very high | 97.8 | Very high | 48 Ų | 48 | 43.5 Ų | 43.5 | 25% | 0.246 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71 | -27.9 | 178.1 | -57.2 | -52.9 | 0 | 0 | 0 | 111.4 | D225 Y229 Q230 H231 M290 V293 | D225-I227 PolarHBondContact O-N 3.31Å; D225-I227 WeakPolarHBondContact OD1-CB 3.34Å; D225-I227 PolarHBondContact OD1-N 2.82Å; I227-Y229 VanDerWaalsContact C-N 3.26Å; I227-Y229 PolarHBondContact O-N 3.12Å; I227-Q230 WeakPolarHBondContact O-CB 3.37Å; I227-Q230 PolarHBondContact O-N 2.95Å; I227-Q230 VanDerWaalsContact O-N 3.1Å; I227-H231 PolarHBondContact O-N 3.08Å; I227-M290 HydrophobicContact CG2-CE 3.76Å; I227-V293 HydrophobicContact CD1-CB 3.85Å; I227-V293 HydrophobicContact CD1-CG1 4.02Å; I227-V293 HydrophobicContact CG2-CG2 4.11Å |
| 228 | L | 98.2 | Very high | 97.8 | Very high | 73 Ų | 73 | 39.6 Ų | 39.6 | 38% | 0.382 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -57.7 | -41.9 | 170.3 | 178.4 | 62.3 | 0 | 0 | 0 | 111 | F218 D225 P226 Q230 H231 L232 | F218-L228 HydrophobicContact CD1-CB 4.4Å; F218-L228 HydrophobicContact CE1-CB 4.28Å; F218-L228 HydrophobicContact CE1-CD2 4.24Å; F218-L228 HydrophobicContact CE1-CG 4.13Å; D225-L228 HydrophobicContact CB-CB 4.26Å; D225-L228 VanDerWaalsContact O-CB 3.22Å; D225-L228 WeakPolarHBondContact O-CB 3.46Å; D225-L228 PolarHBondContact O-N 2.83Å; P226-L228 VanDerWaalsContact C-N 3.3Å; P226-L228 PolarHBondContact O-N 3.41Å; L228-Q230 VanDerWaalsContact C-N 3.3Å; L228-Q230 PolarHBondContact O-N 2.99Å; L228-H231 PolarHBondContact O-N 3.29Å; L228-L232 HydrophobicContact CD1-CD1 4.32Å; L228-L232 HydrophobicContact CD1-CG 4.34Å; L228-L232 HydrophobicContact CG-CD1 4.09Å; L228-L232 WeakPolarHBondContact O-CG 3.49Å; L228-L232 PolarHBondContact O-N 3.41Å; L228-L232 VanDerWaalsContact O-N 3.08Å |
| 229 | Y | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.8 | -45.5 | 175.8 | -175 | -79.2 | 0 | 0 | 0 | 110.8 | T125 V126 Y127 P128 A203 L207 F218 P226 I227 H231 L232 F233 | T125-Y229 WeakPolarHBondContact O-CE1 3.47Å; T125-Y229 PolarHBondContact O-OH 3.46Å; V126-Y229 PolarHBondContact O-OH 3.46Å; Y127-Y229 AromaticContact CD1-CD1 3.67Å; Y127-Y229 HydrophobicContact CD1-CD1 3.67Å; Y127-Y229 AromaticContact CD1-CE1 3.74Å; Y127-Y229 HydrophobicContact CD1-CE1 3.74Å; Y127-Y229 HydrophobicContact CE1-CD1 4.27Å; Y127-Y229 HydrophobicContact CE1-CE1 4.29Å; P128-Y229 HydrophobicContact CG-CD2 4.03Å; P128-Y229 HydrophobicContact CG-CG 3.83Å; A203-Y229 HydrophobicContact CB-CE2 4.34Å; L207-Y229 HydrophobicContact CB-CE2 4.07Å; L207-Y229 HydrophobicContact CD2-CE2 3.9Å; F218-Y229 HydrophobicContact CD2-CD2 4Å; F218-Y229 HydrophobicContact CE1-CD2 4.17Å; F218-Y229 HydrophobicContact CE1-CG 4.41Å; F218-Y229 AromaticContact CE2-CD2 3.57Å; F218-Y229 HydrophobicContact CE2-CD2 3.57Å; F218-Y229 HydrophobicContact CE2-CE2 4.38Å; F218-Y229 HydrophobicContact CE2-CG 4.49Å; F218-Y229 HydrophobicContact CG-CD2 4.46Å; F218-Y229 AromaticContact CZ-CD2 3.66Å; F218-Y229 HydrophobicContact CZ-CD2 3.66Å; F218-Y229 HydrophobicContact CZ-CG 4.32Å; P226-Y229 WeakPolarHBondContact O-CB 3.4Å; P226-Y229 PolarHBondContact O-N 3.4Å; I227-Y229 VanDerWaalsContact C-N 3.26Å; I227-Y229 PolarHBondContact O-N 3.12Å; Y229-H231 VanDerWaalsContact C-N 3.35Å; Y229-H231 PolarHBondContact O-N 3.23Å; Y229-L232 PolarHBondContact O-N 3.37Å; Y229-F233 HydrophobicContact CD1-CB 4.14Å; Y229-F233 HydrophobicContact CE1-CB 3.81Å; Y229-F233 HydrophobicContact CE1-CD2 4.21Å; Y229-F233 HydrophobicContact CE1-CG 4.21Å; Y229-F233 VanDerWaalsContact O-CB 3.27Å; Y229-F233 WeakPolarHBondContact O-CB 3.47Å; Y229-F233 PolarHBondContact O-N 3.49Å |
| 230 | Q | 98.4 | Very high | 97.9 | Very high | 32 Ų | 32 | 36.2 Ų | 36.2 | 15% | 0.15 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.2 | -41.3 | -179.9 | -64.2 | -166.2 | 36.4 | 0 | 0 | 112.2 | Y127 I227 L228 W234 M290 | Y127-Q230 HydrophobicContact CD1-CG 4.06Å; Y127-Q230 HydrophobicContact CE1-CB 4.5Å; Y127-Q230 HydrophobicContact CE1-CG 3.85Å; I227-Q230 WeakPolarHBondContact O-CB 3.37Å; I227-Q230 PolarHBondContact O-N 2.95Å; I227-Q230 VanDerWaalsContact O-N 3.1Å; L228-Q230 VanDerWaalsContact C-N 3.3Å; L228-Q230 PolarHBondContact O-N 2.99Å; Q230-W234 WeakPolarHBondContact O-CB 3.44Å; Q230-W234 VanDerWaalsContact O-CD1 3.23Å; Q230-W234 PolarHBondContact O-N 2.87Å; Q230-M290 HydrophobicContact CB-CE 3.5Å; Q230-M290 VanDerWaalsContact CB-CE 3.5Å; Q230-M290 HydrophobicContact CB-CG 4.25Å; Q230-M290 HydrophobicContact CB-SD 3.89Å |
| 231 | H | 98.5 | Very high | 97.9 | Very high | 65 Ų | 65 | 33.3 Ų | 33.3 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61 | -46.9 | 175.5 | -79.8 | -57.1 | 0 | 0 | 0 | 112.1 | I227 L228 Y229 F235 W286 M290 | I227-H231 PolarHBondContact O-N 3.08Å; L228-H231 PolarHBondContact O-N 3.29Å; Y229-H231 VanDerWaalsContact C-N 3.35Å; Y229-H231 PolarHBondContact O-N 3.23Å; H231-F235 VanDerWaalsContact O-CB 3.29Å; H231-F235 WeakPolarHBondContact O-CB 3.17Å; H231-F235 PolarHBondContact O-N 3.21Å; H231-W286 AromaticContact ND1-CD1 3.91Å; H231-W286 AromaticContact ND1-NE1 3.24Å; H231-W286 PolarHBondContact ND1-NE1 2.84Å; H231-M290 HydrophobicContact CB-CE 4.49Å; H231-M290 VanDerWaalsContact CE1-CE 3.45Å; H231-M290 WeakPolarHBondContact CE1-CE 3.48Å; H231-M290 WeakPolarHBondContact ND1-CE 3.5Å |
| 232 | L | 98.6 | Very high | 98 | Very high | 39 Ų | 39 | 30.2 Ų | 30.2 | 20% | 0.204 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.3 | -44.4 | 179.9 | -63.9 | 167.2 | 0 | 0 | 0 | 111.8 | V199 A203 M206 F218 L228 Y229 F236 | V199-L232 HydrophobicContact CG1-CB 4.37Å; V199-L232 HydrophobicContact CG1-CD2 4.05Å; A203-L232 HydrophobicContact CB-CB 3.71Å; A203-L232 HydrophobicContact CB-CD1 4.17Å; M206-L232 HydrophobicContact CE-CD1 3.26Å; F218-L232 HydrophobicContact CE1-CD1 4.36Å; F218-L232 HydrophobicContact CZ-CD1 4.36Å; L228-L232 HydrophobicContact CD1-CD1 4.32Å; L228-L232 HydrophobicContact CD1-CG 4.34Å; L228-L232 HydrophobicContact CG-CD1 4.09Å; L228-L232 WeakPolarHBondContact O-CG 3.49Å; L228-L232 PolarHBondContact O-N 3.41Å; L228-L232 VanDerWaalsContact O-N 3.08Å; Y229-L232 PolarHBondContact O-N 3.37Å; L232-F236 PolarHBondContact O-N 3.14Å |
| 233 | F | 98.7 | Very high | 98.1 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 2% | 0.022 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.2 | -50 | 177.8 | 177.6 | -91.3 | 0 | 0 | 0 | 111 | W124 T125 Y127 L200 Y229 F236 G237 | W124-F233 HydrophobicContact CD2-CZ 4.5Å; W124-F233 AromaticContact CE3-CZ 3.73Å; W124-F233 HydrophobicContact CE3-CZ 3.73Å; W124-F233 HydrophobicContact CH2-CE1 4.15Å; W124-F233 AromaticContact CH2-CZ 3.96Å; W124-F233 HydrophobicContact CH2-CZ 3.96Å; W124-F233 HydrophobicContact CZ3-CE1 4.09Å; W124-F233 HydrophobicContact CZ3-CE2 4.45Å; W124-F233 AromaticContact CZ3-CZ 3.44Å; W124-F233 HydrophobicContact CZ3-CZ 3.44Å; W124-F233 VanDerWaalsContact CZ3-CZ 3.44Å; T125-F233 HydrophobicContact CG2-CD1 4.43Å; T125-F233 HydrophobicContact CG2-CE1 3.6Å; T125-F233 HydrophobicContact CG2-CZ 3.76Å; Y127-F233 HydrophobicContact CE1-CD1 4.16Å; Y127-F233 HydrophobicContact CE1-CG 4.41Å; L200-F233 HydrophobicContact CD1-CD2 3.96Å; L200-F233 HydrophobicContact CD1-CE2 4.28Å; Y229-F233 HydrophobicContact CD1-CB 4.14Å; Y229-F233 HydrophobicContact CE1-CB 3.81Å; Y229-F233 HydrophobicContact CE1-CD2 4.21Å; Y229-F233 HydrophobicContact CE1-CG 4.21Å; Y229-F233 VanDerWaalsContact O-CB 3.27Å; Y229-F233 WeakPolarHBondContact O-CB 3.47Å; Y229-F233 PolarHBondContact O-N 3.49Å; F233-F236 CarbonylContact O-C 3.6Å; F233-F236 WeakPolarHBondContact O-CB 3.43Å; F233-F236 PolarHBondContact O-N 3.5Å; F233-G237 PolarHBondContact O-N 3.28Å |
| 234 | W | 98.7 | Very high | 98.2 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 5% | 0.049 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -76.6 | -24.7 | -176.9 | -72.3 | 124.2 | 0 | 0 | 0 | 114 | W124 T125 Y127 Q230 F236 G237 H238 W286 H289 | W124-W234 AromaticContact CH2-CH2 3.88Å; W124-W234 HydrophobicContact CH2-CH2 3.88Å; W124-W234 AromaticContact CH2-CZ3 3.83Å; W124-W234 HydrophobicContact CH2-CZ3 3.83Å; W124-W234 AromaticContact CZ2-CH2 3.77Å; W124-W234 HydrophobicContact CZ2-CH2 3.77Å; W124-W234 HydrophobicContact CZ2-CZ3 4.18Å; T125-W234 HydrophobicContact CG2-CH2 4.24Å; T125-W234 HydrophobicContact CG2-CZ2 4.02Å; Y127-W234 AromaticContact CZ-NE1 3.85Å; Y127-W234 WeakPolarHBondContact OH-CZ2 3.21Å; Y127-W234 PolarHBondContact OH-NE1 2.97Å; Q230-W234 WeakPolarHBondContact O-CB 3.44Å; Q230-W234 VanDerWaalsContact O-CD1 3.23Å; Q230-W234 PolarHBondContact O-N 2.87Å; W234-F236 PolarHBondContact O-N 3.37Å; W234-G237 PolarHBondContact O-N 2.97Å; W234-H238 PolarHBondContact O-N 3.46Å; W234-W286 VanDerWaalsContact C-CB 3.41Å; W234-W286 HydrophobicContact CB-CB 3.97Å; W234-W286 WeakPolarHBondContact O-CB 3.21Å; W234-H289 HydrophobicContact CB-CB 4.43Å; W234-H289 HydrophobicContact CD2-CB 3.38Å; W234-H289 AromaticContact CD2-CD2 3.54Å; W234-H289 AromaticContact CD2-CG 3.54Å; W234-H289 AromaticContact CE2-CG 3.8Å; W234-H289 HydrophobicContact CE3-CB 3.94Å; W234-H289 AromaticContact CE3-CD2 3.24Å; W234-H289 AromaticContact CE3-CG 3.53Å; W234-H289 AromaticContact CE3-NE2 3.65Å; W234-H289 HydrophobicContact CG-CB 3.61Å; W234-H289 AromaticContact CG-CD2 3.99Å; W234-H289 HydrophobicContact CH2-CB 4.36Å; W234-H289 HydrophobicContact CZ2-CB 3.85Å; W234-H289 HydrophobicContact CZ3-CB 4.39Å; W234-H289 AromaticContact CZ3-CD2 3.78Å; W234-H289 AromaticContact CZ3-CE1 3.9Å; W234-H289 AromaticContact CZ3-CG 3.82Å; W234-H289 AromaticContact CZ3-ND1 3.91Å; W234-H289 AromaticContact CZ3-NE2 3.8Å |
| 235 | F | 98.6 | Very high | 98.2 | Very high | 58 Ų | 58 | 24.2 Ų | 24.2 | 25% | 0.254 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -56.8 | -36.6 | 168 | -176.8 | -84.2 | 0 | 0 | 0 | 110.9 | V199 H231 P239 F283 W286 | V199-F235 HydrophobicContact CB-CD1 3.89Å; V199-F235 HydrophobicContact CB-CE1 4.4Å; V199-F235 HydrophobicContact CG1-CB 4.27Å; V199-F235 HydrophobicContact CG1-CD1 3.78Å; V199-F235 HydrophobicContact CG1-CG 4.31Å; V199-F235 HydrophobicContact CG2-CD1 3.67Å; V199-F235 HydrophobicContact CG2-CE1 3.69Å; H231-F235 VanDerWaalsContact O-CB 3.29Å; H231-F235 WeakPolarHBondContact O-CB 3.17Å; H231-F235 PolarHBondContact O-N 3.21Å; F235-P239 WeakPolarHBondContact O-CD 3.49Å; F235-P239 WeakPolarHBondContact O-CG 3.48Å; F235-F283 AromaticContact CE1-CD1 3.8Å; F235-F283 HydrophobicContact CE1-CD1 3.8Å; F235-F283 HydrophobicContact CE1-CE1 4.07Å; F235-F283 HydrophobicContact CE2-CD1 4.32Å; F235-F283 AromaticContact CZ-CD1 3.63Å; F235-F283 HydrophobicContact CZ-CD1 3.63Å; F235-F283 HydrophobicContact CZ-CE1 4.29Å; F235-W286 HydrophobicContact CB-CG 4.42Å; F235-W286 HydrophobicContact CD2-CD2 4.24Å; F235-W286 HydrophobicContact CD2-CE3 4.01Å; F235-W286 HydrophobicContact CD2-CZ3 4.22Å; F235-W286 HydrophobicContact CE2-CZ3 4.48Å |
| 236 | F | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -77.8 | -48.8 | 167.9 | 153.4 | -99.1 | 0 | 0 | 0 | 112.5 | F65 L197 L200 L232 F233 W234 H238 P239 E240 | F65-F236 AromaticContact CE1-CZ 3.79Å; F65-F236 HydrophobicContact CE1-CZ 3.79Å; F65-F236 HydrophobicContact CZ-CE1 4.04Å; F65-F236 AromaticContact CZ-CZ 3.78Å; F65-F236 HydrophobicContact CZ-CZ 3.78Å; L197-F236 HydrophobicContact CD2-CD2 3.97Å; L197-F236 HydrophobicContact CD2-CE2 3.43Å; L197-F236 VanDerWaalsContact CD2-CE2 3.43Å; L197-F236 HydrophobicContact CD2-CZ 4.18Å; L197-F236 HydrophobicContact CG-CE2 4.22Å; L200-F236 HydrophobicContact CB-CB 3.87Å; L200-F236 HydrophobicContact CB-CD1 3.86Å; L200-F236 HydrophobicContact CB-CD2 4.03Å; L200-F236 HydrophobicContact CB-CE1 4.5Å; L200-F236 HydrophobicContact CB-CG 3.61Å; L200-F236 HydrophobicContact CD1-CD1 3.83Å; L200-F236 HydrophobicContact CD1-CE1 4.25Å; L200-F236 HydrophobicContact CD1-CG 4.44Å; L200-F236 HydrophobicContact CD2-CD1 3.84Å; L200-F236 HydrophobicContact CD2-CD2 4.4Å; L200-F236 HydrophobicContact CD2-CE1 3.64Å; L200-F236 HydrophobicContact CD2-CE2 4.23Å; L200-F236 HydrophobicContact CD2-CG 4.23Å; L200-F236 HydrophobicContact CD2-CZ 3.85Å; L200-F236 HydrophobicContact CG-CD1 4.04Å; L200-F236 HydrophobicContact CG-CE1 4.34Å; L200-F236 HydrophobicContact CG-CG 4.3Å; L232-F236 PolarHBondContact O-N 3.14Å; F233-F236 CarbonylContact O-C 3.6Å; F233-F236 WeakPolarHBondContact O-CB 3.43Å; F233-F236 PolarHBondContact O-N 3.5Å; W234-F236 PolarHBondContact O-N 3.37Å; F236-H238 VanDerWaalsContact C-N 3.27Å; F236-H238 PolarHBondContact O-N 3.21Å; F236-P239 WeakPolarHBondContact O-CD 3.5Å; F236-E240 HydrophobicContact CE1-CB 4.17Å; F236-E240 HydrophobicContact CE1-CG 4.24Å; F236-E240 HydrophobicContact CE2-CB 3.87Å; F236-E240 HydrophobicContact CE2-CG 4.11Å; F236-E240 VanDerWaalsContact CE2-OE2 3.3Å; F236-E240 WeakPolarHBondContact CE2-OE2 3.44Å; F236-E240 HydrophobicContact CZ-CB 3.67Å; F236-E240 HydrophobicContact CZ-CG 3.58Å; F236-E240 WeakPolarHBondContact CZ-OE2 3.25Å; F236-E240 WeakPolarHBondContact O-CB 3.38Å; F236-E240 PolarHBondContact O-N 3.42Å |
| 237 | G | 98.2 | Very high | 98.3 | Very high | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.01 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -66.7 | -26.3 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | F233 W234 E240 | F233-G237 PolarHBondContact O-N 3.28Å; W234-G237 PolarHBondContact O-N 2.97Å; G237-E240 WeakPolarHBondContact O-CB 3.45Å |
| 238 | H | 98.4 | Very high | 98.4 | Very high | 7 Ų | 7 | 17 Ų | 17 | 3% | 0.032 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -76.7 | -49.7 | 174.3 | -167.9 | 83.6 | 0 | 0 | 0 | 112.9 | W234 F236 E240 V241 Y242 G282 V285 W286 H288 H289 | W234-H238 PolarHBondContact O-N 3.46Å; F236-H238 VanDerWaalsContact C-N 3.27Å; F236-H238 PolarHBondContact O-N 3.21Å; H238-E240 PolarHBondContact O-N 2.87Å; H238-V241 WeakPolarHBondContact O-CG2 3.18Å; H238-V241 PolarHBondContact O-N 2.98Å; H238-Y242 AromaticContact CD2-CE2 3.56Å; H238-Y242 AromaticContact CE1-CZ 3.94Å; H238-Y242 PolarHBondContact CE1-OH 3.04Å; H238-Y242 VanDerWaalsContact CE1-OH 3.3Å; H238-Y242 AromaticContact NE2-CE2 3.08Å; H238-Y242 WeakPolarHBondContact NE2-CE2 3.32Å; H238-Y242 AromaticContact NE2-CZ 3.23Å; H238-Y242 PolarHBondContact NE2-OH 3.12Å; H238-G282 PolarHBondContact CD2-O 2.81Å; H238-V285 WeakPolarHBondContact CD2-CG2 3.49Å; H238-V285 WeakPolarHBondContact NE2-CG2 3.26Å; H238-W286 HydrophobicContact CB-CB 4.39Å; H238-H288 AromaticContact CE1-CE1 3.09Å; H238-H288 PolarHBondContact CE1-CE1 2.96Å; H238-H288 AromaticContact CE1-NE2 3.4Å; H238-H288 PolarHBondContact CE1-NE2 3.01Å; H238-H288 AromaticContact ND1-CE1 3.03Å; H238-H288 PolarHBondContact ND1-CE1 3.32Å; H238-H288 AromaticContact ND1-NE2 2.93Å; H238-H288 PolarHBondContact ND1-NE2 3.24Å; H238-H289 AromaticContact ND1-NE2 3.37Å; H238-H289 PolarHBondContact ND1-NE2 3.46Å |
| 239 | P | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -51.5 | -36.1 | 166.5 | -31 | 36.5 | 0 | 0 | 0 | 114.1 | L192 F235 F236 V241 Y242 I243 G282 F283 | L192-P239 HydrophobicContact CD2-CB 4.41Å; F235-P239 WeakPolarHBondContact O-CD 3.49Å; F235-P239 WeakPolarHBondContact O-CG 3.48Å; F236-P239 WeakPolarHBondContact O-CD 3.5Å; P239-V241 VanDerWaalsContact C-N 3.35Å; P239-V241 PolarHBondContact O-N 2.97Å; P239-Y242 WeakPolarHBondContact O-CB 3.35Å; P239-Y242 PolarHBondContact O-N 2.79Å; P239-I243 WeakPolarHBondContact O-CG1 3.45Å; P239-I243 PolarHBondContact O-N 3.11Å; P239-G282 VanDerWaalsContact CD-O 3.3Å; P239-G282 WeakPolarHBondContact CD-O 3.35Å; P239-G282 WeakPolarHBondContact CG-O 3.48Å; P239-F283 HydrophobicContact CB-CE1 4.23Å; P239-F283 HydrophobicContact CB-CZ 4.42Å; P239-F283 HydrophobicContact CG-CD1 3.72Å; P239-F283 HydrophobicContact CG-CE1 3.71Å; P239-F283 HydrophobicContact CG-CG 4.32Å; P239-F283 HydrophobicContact CG-CZ 4.3Å |
| 240 | E | 98.2 | Very high | 98.4 | Very high | 3 Ų | 3 | 13.6 Ų | 13.6 | 1% | 0.014 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -57.1 | -43 | 178.4 | -177.7 | 56.6 | -150.3 | 0 | 0 | 112.6 | I64 M69 F236 G237 H238 Y242 I243 L244 | I64-E240 HydrophobicContact CG2-CG 4.37Å; M69-E240 VanDerWaalsContact CE-CD 3.43Å; M69-E240 WeakPolarHBondContact CE-OE1 3.37Å; M69-E240 WeakPolarHBondContact CE-OE2 3.5Å; F236-E240 HydrophobicContact CE1-CB 4.17Å; F236-E240 HydrophobicContact CE1-CG 4.24Å; F236-E240 HydrophobicContact CE2-CB 3.87Å; F236-E240 HydrophobicContact CE2-CG 4.11Å; F236-E240 VanDerWaalsContact CE2-OE2 3.3Å; F236-E240 WeakPolarHBondContact CE2-OE2 3.44Å; F236-E240 HydrophobicContact CZ-CB 3.67Å; F236-E240 HydrophobicContact CZ-CG 3.58Å; F236-E240 WeakPolarHBondContact CZ-OE2 3.25Å; F236-E240 WeakPolarHBondContact O-CB 3.38Å; F236-E240 PolarHBondContact O-N 3.42Å; G237-E240 WeakPolarHBondContact O-CB 3.45Å; H238-E240 PolarHBondContact O-N 2.87Å; E240-Y242 PolarHBondContact O-N 3.5Å; E240-Y242 VanDerWaalsContact O-N 3.17Å; E240-I243 WeakPolarHBondContact O-CB 3.39Å; E240-I243 PolarHBondContact O-N 3.23Å; E240-L244 WeakPolarHBondContact O-CG 3.46Å; E240-L244 PolarHBondContact O-N 3.35Å |
| 241 | V | 97.4 | Very high | 98.4 | Very high | 25 Ų | 25 | 12.1 Ų | 12.1 | 15% | 0.152 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64.7 | -25.2 | 178 | -60.1 | 0 | 0 | 0 | 0 | 112.8 | H238 P239 I245 F375 | H238-V241 WeakPolarHBondContact O-CG2 3.18Å; H238-V241 PolarHBondContact O-N 2.98Å; P239-V241 VanDerWaalsContact C-N 3.35Å; P239-V241 PolarHBondContact O-N 2.97Å; V241-I245 WeakPolarHBondContact O-CG2 3.24Å; V241-F375 HydrophobicContact CG1-CE2 3.86Å |
| 242 | Y | 98.2 | Very high | 98.4 | Very high | 29 Ų | 29 | 9 Ų | 9 | 11% | 0.114 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -78.6 | -36.5 | 171.6 | -61.9 | -42.4 | 0 | 0 | 0 | 112.8 | H238 P239 E240 L244 I245 L246 I278 I310 | H238-Y242 AromaticContact CD2-CE2 3.56Å; H238-Y242 AromaticContact CE1-CZ 3.94Å; H238-Y242 PolarHBondContact CE1-OH 3.04Å; H238-Y242 VanDerWaalsContact CE1-OH 3.3Å; H238-Y242 AromaticContact NE2-CE2 3.08Å; H238-Y242 WeakPolarHBondContact NE2-CE2 3.32Å; H238-Y242 AromaticContact NE2-CZ 3.23Å; H238-Y242 PolarHBondContact NE2-OH 3.12Å; P239-Y242 WeakPolarHBondContact O-CB 3.35Å; P239-Y242 PolarHBondContact O-N 2.79Å; E240-Y242 PolarHBondContact O-N 3.5Å; E240-Y242 VanDerWaalsContact O-N 3.17Å; Y242-L244 PolarHBondContact O-N 3.01Å; Y242-I245 HydrophobicContact CD1-CG2 4.36Å; Y242-I245 PolarHBondContact O-N 2.9Å; Y242-I245 VanDerWaalsContact O-N 3.13Å; Y242-L246 WeakPolarHBondContact O-CB 3.32Å; Y242-L246 VanDerWaalsContact O-CG 3.25Å; Y242-L246 WeakPolarHBondContact O-CG 3.43Å; Y242-L246 PolarHBondContact O-N 3.03Å; Y242-I278 HydrophobicContact CD1-CG2 3.39Å; Y242-I278 HydrophobicContact CD2-CG2 3.83Å; Y242-I278 HydrophobicContact CE1-CG2 3.65Å; Y242-I278 HydrophobicContact CE2-CG2 4.03Å; Y242-I278 HydrophobicContact CG-CG2 3.54Å; Y242-I310 HydrophobicContact CE1-CG2 4.44Å; Y242-I310 HydrophobicContact CE2-CD1 4.32Å; Y242-I310 WeakPolarHBondContact OH-CD1 3.42Å |
| 243 | I | 98.3 | Very high | 98.4 | Very high | 1 Ų | 1 | 7.2 Ų | 7.2 | 1% | 0.005 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -55.1 | -40.8 | 172.7 | -71.4 | 158.2 | 0 | 0 | 0 | 110.7 | M69 I73 T189 L192 L193 P239 E240 I245 P247 | M69-I243 HydrophobicContact CE-CG2 4.19Å; I73-I243 HydrophobicContact CD1-CG2 3.86Å; T189-I243 HydrophobicContact CG2-CB 3.93Å; T189-I243 HydrophobicContact CG2-CG1 4.01Å; T189-I243 HydrophobicContact CG2-CG2 3.66Å; L192-I243 HydrophobicContact CB-CD1 3.74Å; L192-I243 HydrophobicContact CB-CG1 3.51Å; L192-I243 HydrophobicContact CD1-CG1 3.96Å; L192-I243 HydrophobicContact CG-CG1 4.39Å; L193-I243 HydrophobicContact CB-CD1 4.5Å; L193-I243 HydrophobicContact CD1-CG2 4.27Å; L193-I243 HydrophobicContact CD2-CD1 3.7Å; L193-I243 HydrophobicContact CD2-CG1 4.32Å; L193-I243 HydrophobicContact CD2-CG2 3.79Å; L193-I243 HydrophobicContact CG-CD1 3.82Å; L193-I243 HydrophobicContact CG-CG1 4.09Å; L193-I243 HydrophobicContact CG-CG2 3.9Å; P239-I243 WeakPolarHBondContact O-CG1 3.45Å; P239-I243 PolarHBondContact O-N 3.11Å; E240-I243 WeakPolarHBondContact O-CB 3.39Å; E240-I243 PolarHBondContact O-N 3.23Å; I243-I245 VanDerWaalsContact C-N 3.35Å; I243-I245 PolarHBondContact O-N 3.24Å; I243-P247 WeakPolarHBondContact O-CD 3.44Å |
| 244 | L | 97.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.005 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -71 | -23.6 | -179.3 | -62.1 | 173 | 0 | 0 | 0 | 114.3 | I64 V68 M69 M72 E240 Y242 L379 | I64-L244 HydrophobicContact CG1-CD1 4.47Å; I64-L244 HydrophobicContact CG2-CD1 4.12Å; I64-L244 HydrophobicContact CG2-CD2 4.42Å; V68-L244 HydrophobicContact CB-CD2 4.06Å; V68-L244 HydrophobicContact CG1-CB 4.1Å; V68-L244 HydrophobicContact CG1-CD2 3.76Å; V68-L244 HydrophobicContact CG1-CG 4.45Å; M69-L244 HydrophobicContact CB-CD2 3.84Å; M72-L244 WeakPolarHBondContact CE-O 3.37Å; E240-L244 WeakPolarHBondContact O-CG 3.46Å; E240-L244 PolarHBondContact O-N 3.35Å; Y242-L244 PolarHBondContact O-N 3.01Å; L244-L379 HydrophobicContact CB-CD2 3.87Å; L244-L379 HydrophobicContact CD1-CD1 3.98Å; L244-L379 HydrophobicContact CD1-CD2 3.62Å; L244-L379 HydrophobicContact CD1-CG 4.49Å; L244-L379 HydrophobicContact CG-CD2 4.4Å |
| 245 | I | 98.1 | Very high | 98.2 | Very high | 4 Ų | 4 | 7.3 Ų | 7.3 | 2% | 0.021 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -114.6 | -29.2 | -170.7 | -163.3 | 65.6 | 0 | 0 | 0 | 114.5 | V241 Y242 I243 G248 F249 F342 F346 A383 | V241-I245 WeakPolarHBondContact O-CG2 3.24Å; Y242-I245 HydrophobicContact CD1-CG2 4.36Å; Y242-I245 PolarHBondContact O-N 2.9Å; Y242-I245 VanDerWaalsContact O-N 3.13Å; I243-I245 VanDerWaalsContact C-N 3.35Å; I243-I245 PolarHBondContact O-N 3.24Å; I245-G248 VanDerWaalsContact O-CA 3.3Å; I245-G248 WeakPolarHBondContact O-CA 3.11Å; I245-G248 PolarHBondContact O-N 3.14Å; I245-F249 HydrophobicContact CB-CZ 4.37Å; I245-F249 HydrophobicContact CD1-CE1 4.34Å; I245-F249 HydrophobicContact CG1-CD1 4.11Å; I245-F249 HydrophobicContact CG1-CE1 3.46Å; I245-F249 VanDerWaalsContact CG1-CE1 3.46Å; I245-F249 HydrophobicContact CG1-CE2 4.44Å; I245-F249 HydrophobicContact CG1-CZ 3.65Å; I245-F249 HydrophobicContact CG2-CE1 4.43Å; I245-F249 HydrophobicContact CG2-CE2 3.97Å; I245-F249 HydrophobicContact CG2-CZ 3.79Å; I245-F249 PolarHBondContact O-N 3.44Å; I245-F249 VanDerWaalsContact O-N 3.12Å; I245-F342 HydrophobicContact CD1-CE2 3.98Å; I245-F342 HydrophobicContact CD1-CZ 4.43Å; I245-F346 HydrophobicContact CD1-CD2 4.21Å; I245-F346 HydrophobicContact CD1-CE2 4.05Å; I245-F346 HydrophobicContact CG1-CD2 4.37Å; I245-F346 HydrophobicContact CG1-CE2 3.73Å; I245-F346 HydrophobicContact CG1-CZ 4.31Å; I245-A383 HydrophobicContact CD1-CB 4.05Å |
| 246 | L | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -55.2 | -47.8 | -176.7 | -78 | 176 | 0 | 0 | 0 | 112.2 | S185 I188 T189 L192 Y242 G248 F249 G250 M275 I278 | S185-L246 WeakPolarHBondContact CB-O 3.33Å; I188-L246 HydrophobicContact CB-CD1 4.33Å; I188-L246 HydrophobicContact CG2-CD1 3.65Å; T189-L246 WeakPolarHBondContact OG1-CB 3.28Å; L192-L246 HydrophobicContact CD1-CD1 3.67Å; Y242-L246 WeakPolarHBondContact O-CB 3.32Å; Y242-L246 VanDerWaalsContact O-CG 3.25Å; Y242-L246 WeakPolarHBondContact O-CG 3.43Å; Y242-L246 PolarHBondContact O-N 3.03Å; L246-G248 PolarHBondContact O-N 3.16Å; L246-G248 VanDerWaalsContact O-N 3.16Å; L246-F249 HydrophobicContact CD2-CD2 3.68Å; L246-F249 HydrophobicContact CD2-CE2 3.87Å; L246-F249 VanDerWaalsContact O-CB 3.26Å; L246-F249 WeakPolarHBondContact O-CB 3.29Å; L246-F249 PolarHBondContact O-N 3.08Å; L246-G250 PolarHBondContact O-N 3.41Å; L246-M275 HydrophobicContact CD2-CB 4.15Å; L246-M275 HydrophobicContact CD2-CG 4.08Å; L246-I278 HydrophobicContact CD2-CG2 4.37Å |
| 247 | P | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -59.8 | -29.6 | 176.4 | -20.3 | 32.7 | 0 | 0 | 0 | 112.7 | M72 I73 F182 S185 V186 T189 I243 F249 G250 M251 | M72-P247 HydrophobicContact CB-CB 4.39Å; M72-P247 HydrophobicContact CB-CG 4.44Å; M72-P247 HydrophobicContact CE-CB 4.11Å; I73-P247 HydrophobicContact CG1-CG 3.96Å; F182-P247 WeakPolarHBondContact CD2-O 3.5Å; F182-P247 HydrophobicContact CE2-CB 4.02Å; S185-P247 WeakPolarHBondContact OG-CA 3.49Å; V186-P247 HydrophobicContact CG2-CB 4.45Å; T189-P247 HydrophobicContact CG2-CG 4.31Å; I243-P247 WeakPolarHBondContact O-CD 3.44Å; P247-F249 VanDerWaalsContact C-N 3.35Å; P247-G250 PolarHBondContact O-N 3.44Å; P247-M251 WeakPolarHBondContact O-CG 3.35Å; P247-M251 PolarHBondContact O-N 2.7Å |
| 248 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -64.5 | -40.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | I245 L246 G250 M251 I252 | I245-G248 VanDerWaalsContact O-CA 3.3Å; I245-G248 WeakPolarHBondContact O-CA 3.11Å; I245-G248 PolarHBondContact O-N 3.14Å; L246-G248 PolarHBondContact O-N 3.16Å; L246-G248 VanDerWaalsContact O-N 3.16Å; G248-G250 VanDerWaalsContact C-N 3.28Å; G248-G250 PolarHBondContact O-N 3.44Å; G248-M251 PolarHBondContact O-N 3.34Å; G248-I252 WeakPolarHBondContact O-CB 3.3Å; G248-I252 VanDerWaalsContact O-CG1 3.24Å; G248-I252 WeakPolarHBondContact O-CG1 3.27Å; G248-I252 PolarHBondContact O-N 3.42Å |
| 249 | F | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 7.6 Ų | 7.6 | 1% | 0.013 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -60.3 | -41 | 173.1 | -55.2 | -29.4 | 0 | 0 | 0 | 112.1 | I245 L246 P247 S253 I278 K317 W321 F342 F346 | I245-F249 HydrophobicContact CB-CZ 4.37Å; I245-F249 HydrophobicContact CD1-CE1 4.34Å; I245-F249 HydrophobicContact CG1-CD1 4.11Å; I245-F249 HydrophobicContact CG1-CE1 3.46Å; I245-F249 VanDerWaalsContact CG1-CE1 3.46Å; I245-F249 HydrophobicContact CG1-CE2 4.44Å; I245-F249 HydrophobicContact CG1-CZ 3.65Å; I245-F249 HydrophobicContact CG2-CE1 4.43Å; I245-F249 HydrophobicContact CG2-CE2 3.97Å; I245-F249 HydrophobicContact CG2-CZ 3.79Å; I245-F249 PolarHBondContact O-N 3.44Å; I245-F249 VanDerWaalsContact O-N 3.12Å; L246-F249 HydrophobicContact CD2-CD2 3.68Å; L246-F249 HydrophobicContact CD2-CE2 3.87Å; L246-F249 VanDerWaalsContact O-CB 3.26Å; L246-F249 WeakPolarHBondContact O-CB 3.29Å; L246-F249 PolarHBondContact O-N 3.08Å; P247-F249 VanDerWaalsContact C-N 3.35Å; F249-S253 WeakPolarHBondContact O-CB 3.48Å; F249-S253 PolarHBondContact O-N 3.15Å; F249-S253 PolarHBondContact O-OG 3.37Å; F249-I278 HydrophobicContact CE2-CD1 4.31Å; F249-K317 HydrophobicContact CD2-CD 4.31Å; F249-K317 VanDerWaalsContact CE1-NZ 3.27Å; F249-W321 HydrophobicContact CB-CH2 4.14Å; F249-W321 HydrophobicContact CB-CZ2 3.93Å; F249-W321 AromaticContact CD1-CH2 3.55Å; F249-W321 HydrophobicContact CD1-CH2 3.55Å; F249-W321 HydrophobicContact CD1-CZ2 4.2Å; F249-W321 HydrophobicContact CE1-CH2 4.14Å; F249-W321 HydrophobicContact CG-CH2 4.09Å; F249-W321 HydrophobicContact CG-CZ2 4.39Å; F249-F342 HydrophobicContact CD1-CE1 4.39Å; F249-F342 AromaticContact CD1-CZ 3.75Å; F249-F342 HydrophobicContact CD1-CZ 3.75Å; F249-F342 AromaticContact CE1-CZ 3.86Å; F249-F342 HydrophobicContact CE1-CZ 3.86Å; F249-F346 HydrophobicContact CE1-CD1 4.39Å; F249-F346 AromaticContact CE1-CE1 3.75Å; F249-F346 HydrophobicContact CE1-CE1 3.75Å; F249-F346 HydrophobicContact CE1-CE2 4.06Å; F249-F346 AromaticContact CE1-CZ 3.58Å; F249-F346 HydrophobicContact CE1-CZ 3.58Å; F249-F346 AromaticContact CZ-CE1 3.94Å; F249-F346 HydrophobicContact CZ-CE1 3.94Å; F249-F346 HydrophobicContact CZ-CE2 4.23Å; F249-F346 AromaticContact CZ-CZ 3.52Å; F249-F346 HydrophobicContact CZ-CZ 3.52Å |
| 250 | G | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -59.1 | -49.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L246 P247 G248 S253 H254 | L246-G250 PolarHBondContact O-N 3.41Å; P247-G250 PolarHBondContact O-N 3.44Å; G248-G250 VanDerWaalsContact C-N 3.28Å; G248-G250 PolarHBondContact O-N 3.44Å; G250-S253 PolarHBondContact O-N 3.4Å; G250-H254 PolarHBondContact O-CD2 2.83Å; G250-H254 VanDerWaalsContact O-CD2 3.29Å; G250-H254 PolarHBondContact O-N 2.96Å |
| 251 | M | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.8 | -49.2 | 179.8 | -71 | -169 | -70.8 | 0 | 0 | 112.4 | M72 F76 F182 P247 G248 S253 H254 I255 A386 W394 | M72-M251 HydrophobicContact CE-CE 3.75Å; M72-M251 HydrophobicContact SD-CE 3.33Å; M72-M251 WeakPolarHBondContact SD-CE 3.45Å; F76-M251 HydrophobicContact CB-SD 4.25Å; F76-M251 HydrophobicContact CD1-SD 3.66Å; F76-M251 HydrophobicContact CD2-CE 3.97Å; F76-M251 HydrophobicContact CD2-SD 3.49Å; F76-M251 WeakPolarHBondContact CD2-SD 3.41Å; F76-M251 HydrophobicContact CE1-SD 3.78Å; F76-M251 HydrophobicContact CE2-CE 4.03Å; F76-M251 HydrophobicContact CE2-SD 3.61Å; F76-M251 HydrophobicContact CG-SD 3.52Å; F76-M251 VanDerWaalsContact CG-SD 3.52Å; F76-M251 HydrophobicContact CZ-SD 3.76Å; F182-M251 HydrophobicContact CD2-CG 3.66Å; F182-M251 HydrophobicContact CE2-CG 3.61Å; F182-M251 HydrophobicContact CE2-SD 4.41Å; P247-M251 WeakPolarHBondContact O-CG 3.35Å; P247-M251 PolarHBondContact O-N 2.7Å; G248-M251 PolarHBondContact O-N 3.34Å; M251-S253 VanDerWaalsContact C-N 3.26Å; M251-S253 PolarHBondContact O-N 3.31Å; M251-H254 PolarHBondContact O-N 3.28Å; M251-I255 WeakPolarHBondContact O-CG1 3.45Å; M251-I255 PolarHBondContact O-N 3.32Å; M251-I255 VanDerWaalsContact O-N 3.07Å; M251-A386 HydrophobicContact CE-CB 4.2Å; M251-W394 HydrophobicContact CB-CH2 3.98Å; M251-W394 HydrophobicContact CB-CZ3 3.79Å; M251-W394 HydrophobicContact CG-CH2 4.01Å; M251-W394 HydrophobicContact CG-CZ3 3.62Å; M251-W394 HydrophobicContact SD-CZ3 3.96Å |
| 252 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.7 | -36.7 | -179.9 | -66.1 | -60.4 | 0 | 0 | 0 | 111.5 | G248 H254 I255 I256 W321 A339 F342 V343 A386 A389 | G248-I252 WeakPolarHBondContact O-CB 3.3Å; G248-I252 VanDerWaalsContact O-CG1 3.24Å; G248-I252 WeakPolarHBondContact O-CG1 3.27Å; G248-I252 PolarHBondContact O-N 3.42Å; I252-H254 PolarHBondContact O-N 2.81Å; I252-I255 PolarHBondContact O-N 3.12Å; I252-I256 HydrophobicContact CG2-CD1 3.6Å; I252-I256 HydrophobicContact CG2-CG1 4.18Å; I252-I256 WeakPolarHBondContact O-CB 3.49Å; I252-I256 VanDerWaalsContact O-CG1 3.32Å; I252-I256 WeakPolarHBondContact O-CG1 3.36Å; I252-I256 PolarHBondContact O-N 3.21Å; I252-W321 HydrophobicContact CB-CZ2 4.36Å; I252-W321 HydrophobicContact CG2-CD2 4.15Å; I252-W321 HydrophobicContact CG2-CZ2 4.17Å; I252-A339 HydrophobicContact CD1-CB 4.03Å; I252-F342 HydrophobicContact CB-CD1 4.23Å; I252-F342 HydrophobicContact CB-CE1 4.29Å; I252-F342 HydrophobicContact CD1-CB 4Å; I252-F342 HydrophobicContact CD1-CD1 4.09Å; I252-F342 HydrophobicContact CD1-CD2 4.47Å; I252-F342 HydrophobicContact CD1-CG 3.92Å; I252-F342 HydrophobicContact CG1-CB 4.43Å; I252-F342 HydrophobicContact CG1-CD1 3.62Å; I252-F342 HydrophobicContact CG1-CD2 4.19Å; I252-F342 HydrophobicContact CG1-CE1 3.88Å; I252-F342 HydrophobicContact CG1-CE2 4.4Å; I252-F342 HydrophobicContact CG1-CG 3.8Å; I252-F342 HydrophobicContact CG1-CZ 4.27Å; I252-F342 HydrophobicContact CG2-CD1 3.85Å; I252-F342 HydrophobicContact CG2-CE1 4.14Å; I252-V343 HydrophobicContact CG2-CG2 4.43Å; I252-A386 HydrophobicContact CD1-CB 4.37Å; I252-A386 HydrophobicContact CG1-CB 4.16Å; I252-A389 HydrophobicContact CD1-CB 3.86Å |
| 253 | S | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -60.9 | -45.3 | 177.6 | -57.6 | 0 | 0 | 0 | 0 | 111.9 | F249 G250 M251 S257 T265 M271 W321 | F249-S253 WeakPolarHBondContact O-CB 3.48Å; F249-S253 PolarHBondContact O-N 3.15Å; F249-S253 PolarHBondContact O-OG 3.37Å; G250-S253 PolarHBondContact O-N 3.4Å; M251-S253 VanDerWaalsContact C-N 3.26Å; M251-S253 PolarHBondContact O-N 3.31Å; S253-S257 PolarHBondContact O-N 3.37Å; S253-S257 PolarHBondContact O-OG 2.83Å; S253-T265 WeakPolarHBondContact CB-OG1 3.36Å; S253-T265 PolarHBondContact O-OG1 3.23Å; S253-T265 VanDerWaalsContact O-OG1 3.13Å; S253-M271 VanDerWaalsContact OG-CE 3.27Å; S253-M271 WeakPolarHBondContact OG-CE 3.14Å; S253-W321 PolarHBondContact OG-NE1 3.05Å |
| 254 | H | 97.3 | Very high | 96.5 | Very high | 21 Ų | 21 | 25.6 Ų | 25.6 | 10% | 0.097 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -65.6 | -45.1 | 177.2 | -78.4 | -71.2 | 0 | 0 | 0 | 113 | G250 M251 I252 I256 S257 Q258 W394 | G250-H254 PolarHBondContact O-CD2 2.83Å; G250-H254 VanDerWaalsContact O-CD2 3.29Å; G250-H254 PolarHBondContact O-N 2.96Å; M251-H254 PolarHBondContact O-N 3.28Å; I252-H254 PolarHBondContact O-N 2.81Å; H254-I256 VanDerWaalsContact C-N 3.34Å; H254-I256 PolarHBondContact O-N 3.48Å; H254-S257 WeakPolarHBondContact CA-OG 3.19Å; H254-S257 PolarHBondContact O-N 3.11Å; H254-S257 PolarHBondContact O-OG 3.13Å; H254-Q258 WeakPolarHBondContact O-CB 3.24Å; H254-Q258 PolarHBondContact O-N 3.43Å; H254-W394 HydrophobicContact CB-CH2 4.11Å; H254-W394 HydrophobicContact CB-CZ2 3.93Å |
| 255 | I | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.1 | -47.4 | 178 | -65 | 168.7 | 0 | 0 | 0 | 110 | M251 I252 Q258 E259 A335 A339 A389 H393 W394 | M251-I255 WeakPolarHBondContact O-CG1 3.45Å; M251-I255 PolarHBondContact O-N 3.32Å; M251-I255 VanDerWaalsContact O-N 3.07Å; I252-I255 PolarHBondContact O-N 3.12Å; I255-Q258 PolarHBondContact O-N 2.89Å; I255-E259 HydrophobicContact CG2-CG 4.1Å; I255-E259 VanDerWaalsContact O-CB 3.31Å; I255-E259 WeakPolarHBondContact O-CB 3.36Å; I255-E259 VanDerWaalsContact O-CG 3.23Å; I255-E259 WeakPolarHBondContact O-CG 3.45Å; I255-E259 PolarHBondContact O-N 3.29Å; I255-A335 HydrophobicContact CG2-CB 3.95Å; I255-A339 HydrophobicContact CG2-CB 3.99Å; I255-A389 VanDerWaalsContact CD1-C 3.46Å; I255-A389 HydrophobicContact CD1-CB 3.57Å; I255-A389 WeakPolarHBondContact CD1-O 3.02Å; I255-H393 HydrophobicContact CD1-CB 4.01Å; I255-H393 HydrophobicContact CG1-CB 3.92Å; I255-W394 HydrophobicContact CG1-CH2 4.35Å |
| 256 | I | 97.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.6 | -43 | -179.4 | -73.1 | 178.8 | 0 | 0 | 0 | 111.2 | I252 H254 S260 W321 T324 L325 I336 A339 V343 | I252-I256 HydrophobicContact CG2-CD1 3.6Å; I252-I256 HydrophobicContact CG2-CG1 4.18Å; I252-I256 WeakPolarHBondContact O-CB 3.49Å; I252-I256 VanDerWaalsContact O-CG1 3.32Å; I252-I256 WeakPolarHBondContact O-CG1 3.36Å; I252-I256 PolarHBondContact O-N 3.21Å; H254-I256 VanDerWaalsContact C-N 3.34Å; H254-I256 PolarHBondContact O-N 3.48Å; I256-S260 WeakPolarHBondContact O-CB 3.45Å; I256-S260 PolarHBondContact O-N 3.07Å; I256-S260 PolarHBondContact O-OG 2.92Å; I256-W321 HydrophobicContact CD1-CB 3.66Å; I256-W321 HydrophobicContact CD1-CD2 4.49Å; I256-W321 HydrophobicContact CD1-CG 3.72Å; I256-T324 HydrophobicContact CG2-CG2 3.72Å; I256-L325 HydrophobicContact CD1-CD1 4.46Å; I256-L325 HydrophobicContact CG2-CD2 3.91Å; I256-L325 HydrophobicContact CG2-CG 3.84Å; I256-I336 HydrophobicContact CG1-CD1 4.34Å; I256-A339 HydrophobicContact CD1-CB 4.46Å; I256-A339 HydrophobicContact CG1-CB 4.03Å; I256-V343 HydrophobicContact CD1-CG2 4.01Å |
| 257 | S | 95.7 | Very high | 96.3 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 4% | 0.042 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 177 | 51.3 | 0 | 0 | 0 | 0 | 112.1 | S253 H254 S260 G261 K262 | S253-S257 PolarHBondContact O-N 3.37Å; S253-S257 PolarHBondContact O-OG 2.83Å; H254-S257 WeakPolarHBondContact CA-OG 3.19Å; H254-S257 PolarHBondContact O-N 3.11Å; H254-S257 PolarHBondContact O-OG 3.13Å; S257-S260 PolarHBondContact O-N 3.4Å; S257-G261 PolarHBondContact O-N 2.91Å; S257-K262 CarbonylContact C-O 2.98Å; S257-K262 WeakPolarHBondContact CB-O 3.18Å; S257-K262 PolarHBondContact O-N 3.03Å |
| 258 | Q | 94.9 | Very high | 96.2 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 12% | 0.121 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.5 | -48.5 | -179.2 | -172.7 | 165.8 | -33.9 | 0 | 0 | 112.4 | H254 I255 S260 G261 H393 I484 L486 | H254-Q258 WeakPolarHBondContact O-CB 3.24Å; H254-Q258 PolarHBondContact O-N 3.43Å; I255-Q258 PolarHBondContact O-N 2.89Å; Q258-S260 PolarHBondContact O-N 2.97Å; Q258-G261 PolarHBondContact O-N 3.48Å; Q258-H393 PolarHBondContact NE2-CE1 2.65Å; Q258-H393 VanDerWaalsContact NE2-CE1 3.32Å; Q258-H393 PolarHBondContact OE1-CE1 2.82Å; Q258-H393 PolarHBondContact OE1-NE2 3.27Å; Q258-I484 PolarHBondContact NE2-O 2.98Å; Q258-L486 HydrophobicContact CB-CD1 4.18Å; Q258-L486 HydrophobicContact CG-CG 4.39Å |
| 259 | E | 94.7 | Very high | 96.1 | Very high | 39 Ų | 39 | 37.9 Ų | 37.9 | 18% | 0.182 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.5 | -20.3 | 178.1 | -64.6 | -73.7 | 149.6 | 0 | 0 | 112.6 | I255 S333 I336 | I255-E259 HydrophobicContact CG2-CG 4.1Å; I255-E259 VanDerWaalsContact O-CB 3.31Å; I255-E259 WeakPolarHBondContact O-CB 3.36Å; I255-E259 VanDerWaalsContact O-CG 3.23Å; I255-E259 WeakPolarHBondContact O-CG 3.45Å; I255-E259 PolarHBondContact O-N 3.29Å; E259-S333 PolarHBondContact OE1-OG 3.24Å; E259-S333 WeakPolarHBondContact OE2-CB 3.45Å; E259-S333 PolarHBondContact OE2-OG 2.85Å; E259-I336 HydrophobicContact CB-CB 4.09Å; E259-I336 HydrophobicContact CB-CD1 3.74Å; E259-I336 HydrophobicContact CB-CG1 4.11Å; E259-I336 HydrophobicContact CG-CB 3.97Å; E259-I336 HydrophobicContact CG-CD1 4.22Å; E259-I336 HydrophobicContact CG-CG1 4.5Å |
| 260 | S | 94.5 | Very high | 96.1 | Very high | 14 Ų | 14 | 39.1 Ų | 39.1 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -9.5 | 172.3 | -67.6 | 0 | 0 | 0 | 0 | 113.6 | I256 S257 Q258 K262 T324 T328 | I256-S260 WeakPolarHBondContact O-CB 3.45Å; I256-S260 PolarHBondContact O-N 3.07Å; I256-S260 PolarHBondContact O-OG 2.92Å; S257-S260 PolarHBondContact O-N 3.4Å; Q258-S260 PolarHBondContact O-N 2.97Å; S260-K262 PolarHBondContact O-N 3.41Å; S260-T324 PolarHBondContact OG-O 3Å; S260-T328 WeakPolarHBondContact O-CG2 3.28Å |
| 261 | G | 93 | Very high | 96.1 | Very high | 58 Ų | 58 | 39.1 Ų | 39.1 | 60% | 0.598 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.7 | 18.9 | -171 | 0 | 0 | 0 | 0 | 0 | 113.9 | S257 Q258 | S257-G261 PolarHBondContact O-N 2.91Å; Q258-G261 PolarHBondContact O-N 3.48Å |
| 262 | K | 93.5 | Very high | 96.1 | Very high | 68 Ų | 68 | 39.3 Ų | 39.3 | 30% | 0.296 | 22% | 0.219 | S | C | . | . | trans | -100 | 135.8 | -179.5 | -67.5 | -176.5 | -177 | 174.2 | 0 | 109.3 | S257 S260 E264 A323 T324 H326 L486 | S257-K262 CarbonylContact C-O 2.98Å; S257-K262 WeakPolarHBondContact CB-O 3.18Å; S257-K262 PolarHBondContact O-N 3.03Å; S260-K262 PolarHBondContact O-N 3.41Å; K262-E264 PolarHBondContact O-N 3.07Å; K262-E264 VanDerWaalsContact O-N 3.16Å; K262-A323 PolarHBondContact NZ-O 3.04Å; K262-T324 HydrophobicContact CB-CG2 4.5Å; K262-T324 HydrophobicContact CD-CG2 4.05Å; K262-T324 VanDerWaalsContact CD-O 3.23Å; K262-T324 WeakPolarHBondContact CD-O 3.44Å; K262-T324 WeakPolarHBondContact CE-O 3.19Å; K262-T324 PolarHBondContact NZ-O 3.45Å; K262-H326 PolarHBondContact NZ-O 3.46Å; K262-L486 WeakPolarHBondContact O-CD1 3.49Å | ||
| 263 | K | 91.4 | Very high | 96.1 | Very high | 168 Ų | 168 | 46.6 Ų | 46.6 | 73% | 0.73 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -62 | -25.4 | -175.9 | -66.2 | -174.6 | 178.9 | -177.4 | 0 | 114.1 | S488 | K263-S488 WeakPolarHBondContact O-CB 3.36Å; K263-S488 PolarHBondContact O-OG 2.87Å |
| 264 | E | 93.5 | Very high | 96.1 | Very high | 128 Ų | 128 | 46.7 Ų | 46.7 | 60% | 0.598 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -150.1 | 165 | -179.7 | 62.1 | -179.7 | 174.8 | 0 | 0 | 110.9 | K262 | K262-E264 PolarHBondContact O-N 3.07Å; K262-E264 VanDerWaalsContact O-N 3.16Å |
| 265 | T | 96.3 | Very high | 96.1 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | trans | -72 | 138.6 | 170.1 | -57.9 | 0 | 0 | 0 | 0 | 109.7 | L181 S253 G267 S268 M271 T324 | L181-T265 HydrophobicContact CD1-CG2 4.44Å; S253-T265 WeakPolarHBondContact CB-OG1 3.36Å; S253-T265 PolarHBondContact O-OG1 3.23Å; S253-T265 VanDerWaalsContact O-OG1 3.13Å; T265-G267 PolarHBondContact O-N 3.31Å; T265-S268 PolarHBondContact O-N 2.69Å; T265-M271 HydrophobicContact CG2-CE 4.4Å; T265-M271 HydrophobicContact CG2-CG 4.29Å; T265-T324 WeakPolarHBondContact CG2-OG1 3.46Å | ||
| 266 | F | 97.5 | Very high | 96.2 | Very high | 112 Ų | 112 | 49 Ų | 49 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 132.8 | 173.3 | 177.1 | -89.2 | 0 | 0 | 0 | 110.8 | F319 S320 A323 T324 | F266-F319 HydrophobicContact CD1-CE1 4.35Å; F266-F319 HydrophobicContact CE1-CD1 4.33Å; F266-F319 AromaticContact CE1-CE1 3.74Å; F266-F319 HydrophobicContact CE1-CE1 3.74Å; F266-F319 HydrophobicContact CZ-CE1 4.45Å; F266-S320 VanDerWaalsContact O-CB 3.22Å; F266-S320 WeakPolarHBondContact O-CB 3.35Å; F266-S320 PolarHBondContact O-OG 2.98Å; F266-A323 HydrophobicContact CB-CB 3.97Å; F266-A323 HydrophobicContact CD1-CB 3.67Å; F266-A323 HydrophobicContact CD2-CB 4.3Å; F266-A323 HydrophobicContact CE1-CB 4.26Å; F266-A323 HydrophobicContact CG-CB 3.7Å; F266-T324 WeakPolarHBondContact CB-OG1 3.42Å; F266-T324 PolarHBondContact N-OG1 3.32Å |
| 267 | G | 96.9 | Very high | 96.3 | Very high | 35 Ų | 35 | 50.8 Ų | 50.8 | 36% | 0.361 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 41.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T265 L269 G270 M271 | T265-G267 PolarHBondContact O-N 3.31Å; G267-L269 VanDerWaalsContact C-N 3.29Å; G267-L269 PolarHBondContact O-N 3.35Å; G267-G270 CarbonylContact O-C 3.57Å; G267-G270 VanDerWaalsContact O-CA 3.29Å; G267-G270 WeakPolarHBondContact O-CA 3.25Å; G267-G270 PolarHBondContact O-N 3.07Å; G267-M271 PolarHBondContact O-N 2.88Å |
| 268 | S | 96.2 | Very high | 96.4 | Very high | 23 Ų | 23 | 50.5 Ų | 50.5 | 16% | 0.161 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -48.1 | -45.4 | -179.9 | -173.7 | 0 | 0 | 0 | 0 | 113.5 | T265 G270 M271 I272 | T265-S268 PolarHBondContact O-N 2.69Å; S268-G270 PolarHBondContact O-N 3.32Å; S268-M271 VanDerWaalsContact O-CB 3.3Å; S268-M271 WeakPolarHBondContact O-CB 3.48Å; S268-M271 PolarHBondContact O-N 3.33Å; S268-M271 VanDerWaalsContact O-N 3.13Å; S268-I272 WeakPolarHBondContact O-CG1 3.48Å; S268-I272 PolarHBondContact O-N 3.2Å |
| 269 | L | 96.8 | Very high | 96.5 | Very high | 89 Ų | 89 | 49.6 Ų | 49.6 | 47% | 0.466 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 173 | -73.9 | 174.9 | 0 | 0 | 0 | 112.9 | D177 G267 M271 I272 Y273 | D177-L269 HydrophobicContact CB-CD2 4Å; G267-L269 VanDerWaalsContact C-N 3.29Å; G267-L269 PolarHBondContact O-N 3.35Å; L269-M271 VanDerWaalsContact C-N 3.28Å; L269-M271 PolarHBondContact O-N 3.05Å; L269-I272 HydrophobicContact CD2-CD1 4.42Å; L269-I272 PolarHBondContact O-N 3.22Å; L269-Y273 HydrophobicContact CB-CE2 4.36Å; L269-Y273 WeakPolarHBondContact O-CD2 3.41Å; L269-Y273 PolarHBondContact O-N 2.87Å |
| 270 | G | 97.8 | Very high | 96.7 | Very high | 29 Ų | 29 | 53.7 Ų | 53.7 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.6 | -36.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G267 S268 A274 | G267-G270 CarbonylContact O-C 3.57Å; G267-G270 VanDerWaalsContact O-CA 3.29Å; G267-G270 WeakPolarHBondContact O-CA 3.25Å; G267-G270 PolarHBondContact O-N 3.07Å; S268-G270 PolarHBondContact O-N 3.32Å; G270-A274 WeakPolarHBondContact O-CB 3.35Å; G270-A274 PolarHBondContact O-N 3.42Å |
| 271 | M | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 173.2 | -65.1 | -73.3 | -73.4 | 0 | 0 | 111.6 | L181 S253 T265 G267 S268 L269 A274 M275 K317 S320 W321 | L181-M271 HydrophobicContact CD1-CB 4.1Å; L181-M271 HydrophobicContact CD1-CE 4.42Å; L181-M271 HydrophobicContact CD1-CG 4.2Å; L181-M271 HydrophobicContact CD2-CB 3.75Å; S253-M271 VanDerWaalsContact OG-CE 3.27Å; S253-M271 WeakPolarHBondContact OG-CE 3.14Å; T265-M271 HydrophobicContact CG2-CE 4.4Å; T265-M271 HydrophobicContact CG2-CG 4.29Å; G267-M271 PolarHBondContact O-N 2.88Å; S268-M271 VanDerWaalsContact O-CB 3.3Å; S268-M271 WeakPolarHBondContact O-CB 3.48Å; S268-M271 PolarHBondContact O-N 3.33Å; S268-M271 VanDerWaalsContact O-N 3.13Å; L269-M271 VanDerWaalsContact C-N 3.28Å; L269-M271 PolarHBondContact O-N 3.05Å; M271-A274 PolarHBondContact O-N 3.43Å; M271-M275 WeakPolarHBondContact O-CG 3.38Å; M271-M275 PolarHBondContact O-N 3.44Å; M271-K317 HydrophobicContact CE-CB 4.12Å; M271-K317 HydrophobicContact CE-CG 4.07Å; M271-K317 VanDerWaalsContact SD-CA 3.56Å; M271-K317 HydrophobicContact SD-CB 3.83Å; M271-K317 HydrophobicContact SD-CG 3.67Å; M271-S320 WeakPolarHBondContact SD-CB 3.49Å; M271-W321 HydrophobicContact CE-CZ2 3.95Å |
| 272 | I | 98.3 | Very high | 97 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.6 | -51 | 177.3 | -65 | 164.5 | 0 | 0 | 0 | 110 | L181 W184 S268 L269 A274 M275 L276 | L181-I272 HydrophobicContact CD2-CD1 4.41Å; L181-I272 HydrophobicContact CD2-CG1 3.7Å; W184-I272 HydrophobicContact CD2-CG1 4.39Å; W184-I272 HydrophobicContact CD2-CG2 3.76Å; W184-I272 HydrophobicContact CE3-CG2 4.09Å; W184-I272 HydrophobicContact CG-CD1 4.36Å; W184-I272 HydrophobicContact CG-CG1 3.98Å; W184-I272 HydrophobicContact CG-CG2 4.2Å; W184-I272 HydrophobicContact CH2-CG2 4.3Å; W184-I272 HydrophobicContact CZ2-CG2 3.98Å; W184-I272 HydrophobicContact CZ3-CG2 4.35Å; S268-I272 WeakPolarHBondContact O-CG1 3.48Å; S268-I272 PolarHBondContact O-N 3.2Å; L269-I272 HydrophobicContact CD2-CD1 4.42Å; L269-I272 PolarHBondContact O-N 3.22Å; I272-A274 VanDerWaalsContact C-N 3.32Å; I272-A274 PolarHBondContact O-N 2.78Å; I272-M275 PolarHBondContact O-N 3.01Å; I272-L276 HydrophobicContact CG2-CD1 4.03Å; I272-L276 WeakPolarHBondContact O-CG 3.43Å; I272-L276 PolarHBondContact O-N 2.68Å |
| 273 | Y | 98.3 | Very high | 97.2 | Very high | 153 Ų | 153 | 49.9 Ų | 49.9 | 60% | 0.6 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64 | -36.3 | 178.6 | -65.4 | -46.6 | 0 | 0 | 0 | 112.9 | L269 L276 A277 | L269-Y273 HydrophobicContact CB-CE2 4.36Å; L269-Y273 WeakPolarHBondContact O-CD2 3.41Å; L269-Y273 PolarHBondContact O-N 2.87Å; Y273-L276 HydrophobicContact CD1-CD1 4.23Å; Y273-L276 PolarHBondContact O-N 3.32Å; Y273-A277 WeakPolarHBondContact O-CB 3.47Å; Y273-A277 PolarHBondContact O-N 2.93Å |
| 274 | A | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 3% | 0.025 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G270 M271 I272 A277 I278 P313 I316 K317 | G270-A274 WeakPolarHBondContact O-CB 3.35Å; G270-A274 PolarHBondContact O-N 3.42Å; M271-A274 PolarHBondContact O-N 3.43Å; I272-A274 VanDerWaalsContact C-N 3.32Å; I272-A274 PolarHBondContact O-N 2.78Å; A274-A277 PolarHBondContact O-N 3.15Å; A274-I278 VanDerWaalsContact O-CG1 3.3Å; A274-I278 WeakPolarHBondContact O-CG1 3.39Å; A274-I278 PolarHBondContact O-N 3.44Å; A274-P313 HydrophobicContact CB-CB 3.9Å; A274-P313 WeakPolarHBondContact CB-O 3.48Å; A274-I316 HydrophobicContact CB-CB 4.35Å; A274-I316 HydrophobicContact CB-CG2 4.25Å; A274-K317 HydrophobicContact CB-CD 3.92Å; A274-K317 HydrophobicContact CB-CG 3.77Å |
| 275 | M | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.5 | -40.2 | 175.8 | -68.9 | -174.2 | -66.1 | 0 | 0 | 112 | L181 W184 I188 L246 M271 I272 I278 G279 K317 | L181-M275 HydrophobicContact CD2-CE 4.06Å; W184-M275 HydrophobicContact CB-CE 3.91Å; I188-M275 HydrophobicContact CD1-CB 3.5Å; L246-M275 HydrophobicContact CD2-CB 4.15Å; L246-M275 HydrophobicContact CD2-CG 4.08Å; M271-M275 WeakPolarHBondContact O-CG 3.38Å; M271-M275 PolarHBondContact O-N 3.44Å; I272-M275 PolarHBondContact O-N 3.01Å; M275-I278 PolarHBondContact O-N 3.03Å; M275-G279 PolarHBondContact O-N 3.27Å; M275-K317 HydrophobicContact CG-CD 4.17Å |
| 276 | L | 98.4 | Very high | 97.9 | Very high | 68 Ų | 68 | 42 Ų | 42 | 36% | 0.356 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.5 | -43.4 | 174.7 | -73.5 | 168 | 0 | 0 | 0 | 111.7 | W184 I188 I272 Y273 G279 L280 | W184-L276 HydrophobicContact CZ3-CD2 4.32Å; I188-L276 HydrophobicContact CD1-CD2 3.9Å; I188-L276 HydrophobicContact CD1-CG 3.98Å; I188-L276 HydrophobicContact CG1-CD2 3.91Å; I272-L276 HydrophobicContact CG2-CD1 4.03Å; I272-L276 WeakPolarHBondContact O-CG 3.43Å; I272-L276 PolarHBondContact O-N 2.68Å; Y273-L276 HydrophobicContact CD1-CD1 4.23Å; Y273-L276 PolarHBondContact O-N 3.32Å; L276-G279 PolarHBondContact O-N 2.97Å; L276-L280 PolarHBondContact O-N 3.28Å |
| 277 | A | 98.6 | Very high | 97.9 | Very high | 37 Ų | 37 | 36.6 Ų | 36.6 | 31% | 0.306 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y273 A274 L280 L281 P313 | Y273-A277 WeakPolarHBondContact O-CB 3.47Å; Y273-A277 PolarHBondContact O-N 2.93Å; A274-A277 PolarHBondContact O-N 3.15Å; A277-L280 PolarHBondContact O-N 3.47Å; A277-L281 VanDerWaalsContact O-CB 3.26Å; A277-L281 WeakPolarHBondContact O-CB 3.5Å; A277-L281 WeakPolarHBondContact O-CD1 3.22Å; A277-L281 WeakPolarHBondContact O-CG 3.31Å; A277-L281 PolarHBondContact O-N 3.4Å; A277-P313 HydrophobicContact CB-CB 4.11Å; A277-P313 HydrophobicContact CB-CG 4.3Å |
| 278 | I | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.5 | -46.1 | 174.7 | -69.3 | 165.7 | 0 | 0 | 0 | 110.5 | Y242 L246 F249 A274 M275 L280 L281 G282 I310 P313 K317 | Y242-I278 HydrophobicContact CD1-CG2 3.39Å; Y242-I278 HydrophobicContact CD2-CG2 3.83Å; Y242-I278 HydrophobicContact CE1-CG2 3.65Å; Y242-I278 HydrophobicContact CE2-CG2 4.03Å; Y242-I278 HydrophobicContact CG-CG2 3.54Å; L246-I278 HydrophobicContact CD2-CG2 4.37Å; F249-I278 HydrophobicContact CE2-CD1 4.31Å; A274-I278 VanDerWaalsContact O-CG1 3.3Å; A274-I278 WeakPolarHBondContact O-CG1 3.39Å; A274-I278 PolarHBondContact O-N 3.44Å; M275-I278 PolarHBondContact O-N 3.03Å; I278-L280 PolarHBondContact O-N 3.31Å; I278-L281 PolarHBondContact O-N 2.96Å; I278-G282 PolarHBondContact O-N 3.42Å; I278-I310 HydrophobicContact CG1-CG2 4.32Å; I278-P313 HydrophobicContact CD1-CB 4.31Å; I278-P313 HydrophobicContact CG1-CB 3.95Å; I278-P313 HydrophobicContact CG1-CG 3.78Å; I278-K317 HydrophobicContact CD1-CD 4.09Å |
| 279 | G | 98 | Very high | 98 | Very high | 6 Ų | 6 | 37 Ų | 37 | 6% | 0.062 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.2 | -45 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | L192 M275 L276 G282 | L192-G279 WeakPolarHBondContact CD2-O 3.28Å; M275-G279 PolarHBondContact O-N 3.27Å; L276-G279 PolarHBondContact O-N 2.97Å; G279-G282 PolarHBondContact O-N 2.89Å |
| 280 | L | 98.1 | Very high | 98.1 | Very high | 126 Ų | 126 | 32.8 Ų | 32.8 | 66% | 0.66 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -66.7 | -48.3 | 177.1 | -179.5 | 66.2 | 0 | 0 | 0 | 112.1 | L276 A277 I278 G282 F283 | L276-L280 PolarHBondContact O-N 3.28Å; A277-L280 PolarHBondContact O-N 3.47Å; I278-L280 PolarHBondContact O-N 3.31Å; L280-G282 PolarHBondContact O-N 2.84Å; L280-F283 PolarHBondContact O-N 2.93Å |
| 281 | L | 97.6 | Very high | 98.1 | Very high | 26 Ų | 26 | 31.7 Ų | 31.7 | 14% | 0.136 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.7 | -30.5 | 179.9 | -74.9 | 162.9 | 0 | 0 | 0 | 111.4 | A277 I278 F283 I284 V285 I309 I310 P313 | A277-L281 VanDerWaalsContact O-CB 3.26Å; A277-L281 WeakPolarHBondContact O-CB 3.5Å; A277-L281 WeakPolarHBondContact O-CD1 3.22Å; A277-L281 WeakPolarHBondContact O-CG 3.31Å; A277-L281 PolarHBondContact O-N 3.4Å; I278-L281 PolarHBondContact O-N 2.96Å; L281-F283 PolarHBondContact O-N 3.49Å; L281-F283 VanDerWaalsContact O-N 3.15Å; L281-I284 HydrophobicContact CD2-CD1 4.04Å; L281-I284 HydrophobicContact CD2-CG1 4.35Å; L281-I284 WeakPolarHBondContact O-CG1 3.47Å; L281-I284 PolarHBondContact O-N 3.06Å; L281-V285 WeakPolarHBondContact O-CG2 3.36Å; L281-I309 HydrophobicContact CD1-CG2 4.18Å; L281-I309 HydrophobicContact CD2-CG2 4.41Å; L281-I310 HydrophobicContact CB-CD1 3.87Å; L281-I310 HydrophobicContact CB-CG1 3.73Å; L281-I310 HydrophobicContact CD1-CG1 3.81Å; L281-I310 HydrophobicContact CG-CG1 4.23Å; L281-P313 HydrophobicContact CD1-CG 4.31Å |
| 282 | G | 96.2 | Very high | 98 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -27.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | H238 P239 I278 G279 L280 | H238-G282 PolarHBondContact CD2-O 2.81Å; P239-G282 VanDerWaalsContact CD-O 3.3Å; P239-G282 WeakPolarHBondContact CD-O 3.35Å; P239-G282 WeakPolarHBondContact CG-O 3.48Å; I278-G282 PolarHBondContact O-N 3.42Å; G279-G282 PolarHBondContact O-N 2.89Å; L280-G282 PolarHBondContact O-N 2.84Å |
| 283 | F | 98.3 | Very high | 97.8 | Very high | 34 Ų | 34 | 37 Ų | 37 | 15% | 0.149 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -7.5 | 177.4 | -72.8 | -69 | 0 | 0 | 0 | 114.6 | L192 L195 F235 P239 L280 L281 W286 | L192-F283 HydrophobicContact CD2-CD2 4.22Å; L192-F283 HydrophobicContact CD2-CE2 3.47Å; L192-F283 VanDerWaalsContact CD2-CE2 3.47Å; L192-F283 HydrophobicContact CD2-CZ 3.9Å; L195-F283 HydrophobicContact CB-CE1 4.16Å; L195-F283 HydrophobicContact CB-CE2 4.42Å; L195-F283 HydrophobicContact CB-CZ 3.65Å; L195-F283 HydrophobicContact CD1-CE2 4.22Å; L195-F283 HydrophobicContact CD1-CZ 4.26Å; F235-F283 AromaticContact CE1-CD1 3.8Å; F235-F283 HydrophobicContact CE1-CD1 3.8Å; F235-F283 HydrophobicContact CE1-CE1 4.07Å; F235-F283 HydrophobicContact CE2-CD1 4.32Å; F235-F283 AromaticContact CZ-CD1 3.63Å; F235-F283 HydrophobicContact CZ-CD1 3.63Å; F235-F283 HydrophobicContact CZ-CE1 4.29Å; P239-F283 HydrophobicContact CB-CE1 4.23Å; P239-F283 HydrophobicContact CB-CZ 4.42Å; P239-F283 HydrophobicContact CG-CD1 3.72Å; P239-F283 HydrophobicContact CG-CE1 3.71Å; P239-F283 HydrophobicContact CG-CG 4.32Å; P239-F283 HydrophobicContact CG-CZ 4.3Å; L280-F283 PolarHBondContact O-N 2.93Å; L281-F283 PolarHBondContact O-N 3.49Å; L281-F283 VanDerWaalsContact O-N 3.15Å; F283-W286 VanDerWaalsContact O-CE3 3.26Å; F283-W286 WeakPolarHBondContact O-CZ3 3.33Å |
| 284 | I | 97.9 | Very high | 97.7 | Very high | 68 Ų | 68 | 33.2 Ų | 33.2 | 35% | 0.349 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -120.7 | 13.4 | -171.9 | 64.1 | 162 | 0 | 0 | 0 | 114.6 | L281 Y302 | L281-I284 HydrophobicContact CD2-CD1 4.04Å; L281-I284 HydrophobicContact CD2-CG1 4.35Å; L281-I284 WeakPolarHBondContact O-CG1 3.47Å; L281-I284 PolarHBondContact O-N 3.06Å; I284-Y302 PolarHBondContact O-OH 3.18Å |
| 285 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -128.4 | 6 | -175.1 | -59.2 | 0 | 0 | 0 | 0 | 115.3 | H238 L281 A287 H288 A306 I310 | H238-V285 WeakPolarHBondContact CD2-CG2 3.49Å; H238-V285 WeakPolarHBondContact NE2-CG2 3.26Å; L281-V285 WeakPolarHBondContact O-CG2 3.36Å; V285-A287 VanDerWaalsContact C-N 3.29Å; V285-A287 PolarHBondContact O-N 3.42Å; V285-A287 VanDerWaalsContact O-N 3.11Å; V285-H288 VanDerWaalsContact O-CG 3.28Å; V285-H288 PolarHBondContact O-N 3.09Å; V285-H288 PolarHBondContact O-ND1 2.93Å; V285-A306 HydrophobicContact CG1-CB 3.84Å; V285-I310 HydrophobicContact CG1-CD1 4.07Å; V285-I310 HydrophobicContact CG2-CD1 3.86Å | ||
| 286 | W | 98.2 | Very high | 97.4 | Very high | 65 Ų | 65 | 38.2 Ų | 38.2 | 25% | 0.246 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -57.1 | -33.5 | -168.3 | 68.7 | 98.3 | 0 | 0 | 0 | 115.8 | H231 W234 F235 H238 F283 H288 H289 F303 | H231-W286 AromaticContact ND1-CD1 3.91Å; H231-W286 AromaticContact ND1-NE1 3.24Å; H231-W286 PolarHBondContact ND1-NE1 2.84Å; W234-W286 VanDerWaalsContact C-CB 3.41Å; W234-W286 HydrophobicContact CB-CB 3.97Å; W234-W286 WeakPolarHBondContact O-CB 3.21Å; F235-W286 HydrophobicContact CB-CG 4.42Å; F235-W286 HydrophobicContact CD2-CD2 4.24Å; F235-W286 HydrophobicContact CD2-CE3 4.01Å; F235-W286 HydrophobicContact CD2-CZ3 4.22Å; F235-W286 HydrophobicContact CE2-CZ3 4.48Å; H238-W286 HydrophobicContact CB-CB 4.39Å; F283-W286 VanDerWaalsContact O-CE3 3.26Å; F283-W286 WeakPolarHBondContact O-CZ3 3.33Å; W286-H288 PolarHBondContact O-N 3.19Å; W286-H288 VanDerWaalsContact O-N 3.15Å; W286-H289 PolarHBondContact O-CD2 3.27Å; W286-H289 PolarHBondContact O-N 3.2Å; W286-F303 HydrophobicContact CD2-CE1 4.23Å; W286-F303 HydrophobicContact CD2-CZ 4.38Å; W286-F303 HydrophobicContact CE3-CE1 4.22Å; W286-F303 HydrophobicContact CE3-CZ 4.5Å; W286-F303 HydrophobicContact CH2-CZ 4.29Å; W286-F303 HydrophobicContact CZ2-CZ 4.18Å; W286-F303 HydrophobicContact CZ3-CE1 4.47Å; W286-F303 HydrophobicContact CZ3-CZ 4.46Å |
| 287 | A | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -74.3 | -3.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114 | V285 H289 M290 M295 F303 | V285-A287 VanDerWaalsContact C-N 3.29Å; V285-A287 PolarHBondContact O-N 3.42Å; V285-A287 VanDerWaalsContact O-N 3.11Å; A287-H289 PolarHBondContact O-N 3Å; A287-M290 HydrophobicContact CB-SD 4.48Å; A287-M290 WeakPolarHBondContact O-CB 3.48Å; A287-M290 PolarHBondContact O-N 3.44Å; A287-M295 HydrophobicContact CB-CE 3.58Å; A287-M295 HydrophobicContact CB-SD 4.08Å; A287-F303 HydrophobicContact CB-CD1 3.81Å; A287-F303 HydrophobicContact CB-CD2 3.63Å; A287-F303 HydrophobicContact CB-CE1 3.65Å; A287-F303 HydrophobicContact CB-CE2 3.45Å; A287-F303 VanDerWaalsContact CB-CE2 3.45Å; A287-F303 HydrophobicContact CB-CG 3.82Å; A287-F303 HydrophobicContact CB-CZ 3.46Å; A287-F303 VanDerWaalsContact CB-CZ 3.46Å |
| 288 | H | 98.1 | Very high | 97.3 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 9% | 0.093 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -62.2 | -19.3 | 167.3 | 63.7 | -139.5 | 0 | 0 | 0 | 113.2 | H238 V285 W286 M290 F291 T307 | H238-H288 AromaticContact CE1-CE1 3.09Å; H238-H288 PolarHBondContact CE1-CE1 2.96Å; H238-H288 AromaticContact CE1-NE2 3.4Å; H238-H288 PolarHBondContact CE1-NE2 3.01Å; H238-H288 AromaticContact ND1-CE1 3.03Å; H238-H288 PolarHBondContact ND1-CE1 3.32Å; H238-H288 AromaticContact ND1-NE2 2.93Å; H238-H288 PolarHBondContact ND1-NE2 3.24Å; V285-H288 VanDerWaalsContact O-CG 3.28Å; V285-H288 PolarHBondContact O-N 3.09Å; V285-H288 PolarHBondContact O-ND1 2.93Å; W286-H288 PolarHBondContact O-N 3.19Å; W286-H288 VanDerWaalsContact O-N 3.15Å; H288-M290 PolarHBondContact O-N 3.09Å; H288-F291 HydrophobicContact CB-CD2 4.4Å; H288-F291 HydrophobicContact CB-CE1 4.2Å; H288-F291 HydrophobicContact CB-CE2 3.63Å; H288-F291 HydrophobicContact CB-CZ 3.52Å; H288-F291 VanDerWaalsContact O-CD2 3.23Å; H288-F291 WeakPolarHBondContact O-CD2 3.41Å; H288-T307 WeakPolarHBondContact ND1-CG2 3.38Å; H288-T307 PolarHBondContact ND1-OG1 2.86Å |
| 289 | H | 98.1 | Very high | 97.2 | Very high | 47 Ų | 47 | 45.8 Ų | 45.8 | 22% | 0.218 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -80.2 | 2.5 | 174.5 | -63.8 | -66.9 | 0 | 0 | 0 | 112.8 | W234 H238 W286 A287 H366 | W234-H289 HydrophobicContact CB-CB 4.43Å; W234-H289 HydrophobicContact CD2-CB 3.38Å; W234-H289 AromaticContact CD2-CD2 3.54Å; W234-H289 AromaticContact CD2-CG 3.54Å; W234-H289 AromaticContact CE2-CG 3.8Å; W234-H289 HydrophobicContact CE3-CB 3.94Å; W234-H289 AromaticContact CE3-CD2 3.24Å; W234-H289 AromaticContact CE3-CG 3.53Å; W234-H289 AromaticContact CE3-NE2 3.65Å; W234-H289 HydrophobicContact CG-CB 3.61Å; W234-H289 AromaticContact CG-CD2 3.99Å; W234-H289 HydrophobicContact CH2-CB 4.36Å; W234-H289 HydrophobicContact CZ2-CB 3.85Å; W234-H289 HydrophobicContact CZ3-CB 4.39Å; W234-H289 AromaticContact CZ3-CD2 3.78Å; W234-H289 AromaticContact CZ3-CE1 3.9Å; W234-H289 AromaticContact CZ3-CG 3.82Å; W234-H289 AromaticContact CZ3-ND1 3.91Å; W234-H289 AromaticContact CZ3-NE2 3.8Å; H238-H289 AromaticContact ND1-NE2 3.37Å; H238-H289 PolarHBondContact ND1-NE2 3.46Å; W286-H289 PolarHBondContact O-CD2 3.27Å; W286-H289 PolarHBondContact O-N 3.2Å; A287-H289 PolarHBondContact O-N 3Å; H289-H366 PolarHBondContact O-CE1 3.2Å |
| 290 | M | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -130 | 16.2 | -169.8 | -56.7 | 172 | 57.7 | 0 | 0 | 111.9 | I227 Q230 H231 A287 H288 T292 V293 M295 | I227-M290 HydrophobicContact CG2-CE 3.76Å; Q230-M290 HydrophobicContact CB-CE 3.5Å; Q230-M290 VanDerWaalsContact CB-CE 3.5Å; Q230-M290 HydrophobicContact CB-CG 4.25Å; Q230-M290 HydrophobicContact CB-SD 3.89Å; H231-M290 HydrophobicContact CB-CE 4.49Å; H231-M290 VanDerWaalsContact CE1-CE 3.45Å; H231-M290 WeakPolarHBondContact CE1-CE 3.48Å; H231-M290 WeakPolarHBondContact ND1-CE 3.5Å; A287-M290 HydrophobicContact CB-SD 4.48Å; A287-M290 WeakPolarHBondContact O-CB 3.48Å; A287-M290 PolarHBondContact O-N 3.44Å; H288-M290 PolarHBondContact O-N 3.09Å; M290-T292 PolarHBondContact O-N 2.84Å; M290-V293 HydrophobicContact CB-CG1 4Å; M290-V293 HydrophobicContact CB-CG2 4.14Å; M290-V293 HydrophobicContact CE-CG2 4.24Å; M290-V293 WeakPolarHBondContact O-CG1 3.44Å; M290-V293 VanDerWaalsContact O-CG2 3.26Å; M290-V293 WeakPolarHBondContact O-CG2 3.3Å; M290-V293 PolarHBondContact O-N 3.12Å; M290-M295 HydrophobicContact CB-SD 4.1Å |
| 291 | F | 97.7 | Very high | 97.2 | Very high | 5 Ų | 5 | 44.7 Ų | 44.7 | 2% | 0.022 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22 | -171.8 | -73.8 | -39.6 | 0 | 0 | 0 | 115.2 | H288 R300 F303 D362 | H288-F291 HydrophobicContact CB-CD2 4.4Å; H288-F291 HydrophobicContact CB-CE1 4.2Å; H288-F291 HydrophobicContact CB-CE2 3.63Å; H288-F291 HydrophobicContact CB-CZ 3.52Å; H288-F291 VanDerWaalsContact O-CD2 3.23Å; H288-F291 WeakPolarHBondContact O-CD2 3.41Å; F291-R300 HydrophobicContact CD1-CB 4.47Å; F291-R300 HydrophobicContact CD1-CG 3.97Å; F291-R300 HydrophobicContact CE1-CG 4.45Å; F291-F303 HydrophobicContact CE1-CB 3.89Å; F291-F303 HydrophobicContact CZ-CB 4.27Å; F291-D362 HydrophobicContact CD2-CB 3.82Å; F291-D362 WeakPolarHBondContact CD2-OD2 3.35Å; F291-D362 HydrophobicContact CE2-CB 4.5Å |
| 292 | T | 96.1 | Very high | 97.2 | Very high | 72 Ų | 72 | 49 Ų | 49 | 44% | 0.442 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 3 | -179.2 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | M290 G294 H366 | M290-T292 PolarHBondContact O-N 2.84Å; T292-G294 PolarHBondContact O-N 2.65Å; T292-H366 HydrophobicContact CG2-CB 3.52Å; T292-H366 PolarHBondContact OG1-CD2 3.41Å; T292-H366 PolarHBondContact OG1-NE2 3.22Å |
| 293 | V | 95.7 | Very high | 97.3 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 28% | 0.279 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -79.5 | 1.7 | 179.5 | -49.9 | 0 | 0 | 0 | 0 | 114.3 | I227 M290 M295 | I227-V293 HydrophobicContact CD1-CB 3.85Å; I227-V293 HydrophobicContact CD1-CG1 4.02Å; I227-V293 HydrophobicContact CG2-CG2 4.11Å; M290-V293 HydrophobicContact CB-CG1 4Å; M290-V293 HydrophobicContact CB-CG2 4.14Å; M290-V293 HydrophobicContact CE-CG2 4.24Å; M290-V293 WeakPolarHBondContact O-CG1 3.44Å; M290-V293 VanDerWaalsContact O-CG2 3.26Å; M290-V293 WeakPolarHBondContact O-CG2 3.3Å; M290-V293 PolarHBondContact O-N 3.12Å; V293-M295 HydrophobicContact CG2-CG 3.8Å; V293-M295 HydrophobicContact CG2-SD 4.4Å |
| 294 | G | 95.2 | Very high | 97.3 | Very high | 73 Ų | 73 | 48.8 Ų | 48.8 | 75% | 0.753 | 27% | 0.273 | S | S | * | . | trans | 92.6 | 25.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | T292 | T292-G294 PolarHBondContact O-N 2.65Š| ||
| 295 | M | 94.6 | Very high | 97.3 | Very high | 25 Ų | 25 | 48.9 Ų | 48.9 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | trans | -60.6 | 144 | 172.1 | -64.6 | 170.8 | 68.8 | 0 | 0 | 111.5 | A287 M290 V293 T299 R300 F303 | A287-M295 HydrophobicContact CB-CE 3.58Å; A287-M295 HydrophobicContact CB-SD 4.08Å; M290-M295 HydrophobicContact CB-SD 4.1Å; V293-M295 HydrophobicContact CG2-CG 3.8Å; V293-M295 HydrophobicContact CG2-SD 4.4Å; M295-T299 HydrophobicContact CE-CG2 3.23Å; M295-R300 HydrophobicContact CB-CG 3.94Å; M295-R300 PolarHBondContact O-NE 3.38Å; M295-F303 HydrophobicContact CE-CD2 3.89Å; M295-F303 HydrophobicContact CE-CE2 4.19Å | ||
| 296 | D | 96.4 | Very high | 97.3 | Very high | 84 Ų | 84 | 49.3 Ų | 49.3 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | trans | -64.3 | 168.1 | 175.7 | 68.9 | 88 | 0 | 0 | 0 | 112.2 | D298 T299 R300 | D296-D298 WeakPolarHBondContact OD1-CB 3.32Å; D296-D298 PolarHBondContact OD1-N 2.98Å; D296-T299 VanDerWaalsContact CG-OG1 3.26Å; D296-T299 PolarHBondContact OD1-N 3.32Å; D296-T299 PolarHBondContact OD1-OG1 3.41Å; D296-T299 VanDerWaalsContact OD2-CB 3.28Å; D296-T299 WeakPolarHBondContact OD2-CB 3.49Å; D296-T299 PolarHBondContact OD2-OG1 3.26Å; D296-R300 WeakPolarHBondContact O-CG 3.04Å; D296-R300 PolarHBondContact O-N 3.1Å; D296-R300 VanDerWaalsContact O-N 3.15Å; D296-R300 PolarHBondContact O-NE 3.09Å | ||
| 297 | V | 96.2 | Very high | 97.3 | Very high | 93 Ų | 93 | 47 Ų | 47 | 56% | 0.564 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -67.9 | -36.2 | -175.4 | 66 | 0 | 0 | 0 | 0 | 113 | R300 A301 | V297-R300 PolarHBondContact O-N 3.41Å; V297-A301 WeakPolarHBondContact O-CB 3.31Å; V297-A301 PolarHBondContact O-N 3.13Å |
| 298 | D | 97.7 | Very high | 97.3 | Very high | 124 Ų | 124 | 49.8 Ų | 49.8 | 66% | 0.663 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -72.1 | -43.6 | -176.1 | -66.2 | -27.3 | 0 | 0 | 0 | 110.1 | D296 R300 A301 Y302 | D296-D298 WeakPolarHBondContact OD1-CB 3.32Å; D296-D298 PolarHBondContact OD1-N 2.98Å; D298-R300 VanDerWaalsContact C-N 3.34Å; D298-R300 PolarHBondContact O-N 2.78Å; D298-A301 PolarHBondContact O-N 2.98Å; D298-Y302 PolarHBondContact O-N 3.03Å |
| 299 | T | 97.2 | Very high | 97.3 | Very high | 48 Ų | 48 | 53.2 Ų | 53.2 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 175 | -53.9 | 0 | 0 | 0 | 0 | 110.7 | M295 D296 A301 Y302 F303 | M295-T299 HydrophobicContact CE-CG2 3.23Å; D296-T299 VanDerWaalsContact CG-OG1 3.26Å; D296-T299 PolarHBondContact OD1-N 3.32Å; D296-T299 PolarHBondContact OD1-OG1 3.41Å; D296-T299 VanDerWaalsContact OD2-CB 3.28Å; D296-T299 WeakPolarHBondContact OD2-CB 3.49Å; D296-T299 PolarHBondContact OD2-OG1 3.26Å; T299-A301 PolarHBondContact O-N 3.41Å; T299-Y302 PolarHBondContact O-N 3.19Å; T299-F303 HydrophobicContact CG2-CD2 3.8Å; T299-F303 HydrophobicContact CG2-CE2 3.76Å; T299-F303 VanDerWaalsContact O-CD2 3.31Å; T299-F303 WeakPolarHBondContact O-CD2 3.27Å; T299-F303 PolarHBondContact O-N 3.16Å; T299-F303 VanDerWaalsContact O-N 3.08Å |
| 300 | R | 97.6 | Very high | 97.3 | Very high | 60 Ų | 60 | 51.4 Ų | 51.4 | 23% | 0.226 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 174.2 | -74.4 | -174.8 | -67 | 162.2 | 1.6 | 112.8 | F291 M295 D296 V297 D298 T304 | F291-R300 HydrophobicContact CD1-CB 4.47Å; F291-R300 HydrophobicContact CD1-CG 3.97Å; F291-R300 HydrophobicContact CE1-CG 4.45Å; M295-R300 HydrophobicContact CB-CG 3.94Å; M295-R300 PolarHBondContact O-NE 3.38Å; D296-R300 WeakPolarHBondContact O-CG 3.04Å; D296-R300 PolarHBondContact O-N 3.1Å; D296-R300 VanDerWaalsContact O-N 3.15Å; D296-R300 PolarHBondContact O-NE 3.09Å; V297-R300 PolarHBondContact O-N 3.41Å; D298-R300 VanDerWaalsContact C-N 3.34Å; D298-R300 PolarHBondContact O-N 2.78Å; R300-T304 VanDerWaalsContact O-CB 3.27Å; R300-T304 WeakPolarHBondContact O-CB 3.37Å; R300-T304 PolarHBondContact O-N 3.47Å; R300-T304 PolarHBondContact O-OG1 2.98Å |
| 301 | A | 97.9 | Very high | 97.3 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 40% | 0.397 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V297 D298 T299 S305 | V297-A301 WeakPolarHBondContact O-CB 3.31Å; V297-A301 PolarHBondContact O-N 3.13Å; D298-A301 PolarHBondContact O-N 2.98Å; T299-A301 PolarHBondContact O-N 3.41Å; A301-S305 WeakPolarHBondContact O-CB 3.37Å; A301-S305 PolarHBondContact O-N 3.28Å; A301-S305 PolarHBondContact O-OG 3.14Å |
| 302 | Y | 97.9 | Very high | 97.3 | Very high | 116 Ų | 116 | 57.9 Ų | 57.9 | 46% | 0.455 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.7 | -56.2 | 173.7 | 169.8 | -94.8 | 0 | 0 | 0 | 111.3 | I284 D298 T299 T304 S305 A306 | I284-Y302 PolarHBondContact O-OH 3.18Å; D298-Y302 PolarHBondContact O-N 3.03Å; T299-Y302 PolarHBondContact O-N 3.19Å; Y302-T304 VanDerWaalsContact C-N 3.28Å; Y302-T304 PolarHBondContact O-N 3.05Å; Y302-S305 PolarHBondContact O-N 3.4Å; Y302-S305 VanDerWaalsContact O-N 3.13Å; Y302-A306 HydrophobicContact CE1-CB 4.38Å; Y302-A306 WeakPolarHBondContact O-CB 3.45Å; Y302-A306 PolarHBondContact O-N 3.2Å |
| 303 | F | 98.2 | Very high | 97.4 | Very high | 14 Ų | 14 | 54.9 Ų | 54.9 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.7 | -31.6 | -176.9 | -81.4 | -76.5 | 0 | 0 | 0 | 112.3 | W286 A287 F291 M295 T299 T307 | W286-F303 HydrophobicContact CD2-CE1 4.23Å; W286-F303 HydrophobicContact CD2-CZ 4.38Å; W286-F303 HydrophobicContact CE3-CE1 4.22Å; W286-F303 HydrophobicContact CE3-CZ 4.5Å; W286-F303 HydrophobicContact CH2-CZ 4.29Å; W286-F303 HydrophobicContact CZ2-CZ 4.18Å; W286-F303 HydrophobicContact CZ3-CE1 4.47Å; W286-F303 HydrophobicContact CZ3-CZ 4.46Å; A287-F303 HydrophobicContact CB-CD1 3.81Å; A287-F303 HydrophobicContact CB-CD2 3.63Å; A287-F303 HydrophobicContact CB-CE1 3.65Å; A287-F303 HydrophobicContact CB-CE2 3.45Å; A287-F303 VanDerWaalsContact CB-CE2 3.45Å; A287-F303 HydrophobicContact CB-CG 3.82Å; A287-F303 HydrophobicContact CB-CZ 3.46Å; A287-F303 VanDerWaalsContact CB-CZ 3.46Å; F291-F303 HydrophobicContact CE1-CB 3.89Å; F291-F303 HydrophobicContact CZ-CB 4.27Å; M295-F303 HydrophobicContact CE-CD2 3.89Å; M295-F303 HydrophobicContact CE-CE2 4.19Å; T299-F303 HydrophobicContact CG2-CD2 3.8Å; T299-F303 HydrophobicContact CG2-CE2 3.76Å; T299-F303 VanDerWaalsContact O-CD2 3.31Å; T299-F303 WeakPolarHBondContact O-CD2 3.27Å; T299-F303 PolarHBondContact O-N 3.16Å; T299-F303 VanDerWaalsContact O-N 3.08Å; F303-T307 WeakPolarHBondContact O-CB 3.19Å; F303-T307 PolarHBondContact O-N 3.08Å; F303-T307 VanDerWaalsContact O-N 3.11Å; F303-T307 PolarHBondContact O-OG1 3.27Å |
| 304 | T | 98.5 | Very high | 97.5 | Very high | 16 Ų | 16 | 54 Ų | 54 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.3 | -54.1 | 170.4 | -62.9 | 0 | 0 | 0 | 0 | 110.8 | R300 Y302 T307 M308 A357 S359 | R300-T304 VanDerWaalsContact O-CB 3.27Å; R300-T304 WeakPolarHBondContact O-CB 3.37Å; R300-T304 PolarHBondContact O-N 3.47Å; R300-T304 PolarHBondContact O-OG1 2.98Å; Y302-T304 VanDerWaalsContact C-N 3.28Å; Y302-T304 PolarHBondContact O-N 3.05Å; T304-T307 PolarHBondContact O-N 3.18Å; T304-M308 HydrophobicContact CG2-CE 3.72Å; T304-M308 HydrophobicContact CG2-SD 4.12Å; T304-M308 WeakPolarHBondContact O-CG 3.33Å; T304-M308 PolarHBondContact O-N 3.41Å; T304-A357 VanDerWaalsContact CA-O 3.3Å; T304-A357 WeakPolarHBondContact CA-O 3.46Å; T304-A357 WeakPolarHBondContact CG2-O 3.26Å; T304-A357 PolarHBondContact OG1-O 3.24Å; T304-S359 WeakPolarHBondContact OG1-CB 3.28Å; T304-S359 PolarHBondContact OG1-N 3.39Å; T304-S359 PolarHBondContact OG1-OG 2.87Å |
| 305 | S | 97.9 | Very high | 97.7 | Very high | 71 Ų | 71 | 52.2 Ų | 52.2 | 50% | 0.497 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.7 | -48.2 | -175.5 | -55.2 | 0 | 0 | 0 | 0 | 112 | A301 Y302 T307 M308 I309 | A301-S305 WeakPolarHBondContact O-CB 3.37Å; A301-S305 PolarHBondContact O-N 3.28Å; A301-S305 PolarHBondContact O-OG 3.14Å; Y302-S305 PolarHBondContact O-N 3.4Å; Y302-S305 VanDerWaalsContact O-N 3.13Å; S305-T307 VanDerWaalsContact C-N 3.32Å; S305-T307 PolarHBondContact O-N 3.28Å; S305-M308 PolarHBondContact O-N 3.16Å; S305-I309 WeakPolarHBondContact O-CG1 3.22Å; S305-I309 PolarHBondContact O-N 3.17Å; S305-I309 VanDerWaalsContact O-N 3.11Å |
| 306 | A | 98.2 | Very high | 97.9 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62 | -39.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V285 Y302 I309 | V285-A306 HydrophobicContact CG1-CB 3.84Å; Y302-A306 HydrophobicContact CE1-CB 4.38Å; Y302-A306 WeakPolarHBondContact O-CB 3.45Å; Y302-A306 PolarHBondContact O-N 3.2Å; A306-I309 PolarHBondContact O-N 3.05Å |
| 307 | T | 98.2 | Very high | 97.9 | Very high | 16 Ų | 16 | 50.4 Ų | 50.4 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.6 | -45.1 | 176.7 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | H288 F303 T304 S305 I309 I310 A357 | H288-T307 WeakPolarHBondContact ND1-CG2 3.38Å; H288-T307 PolarHBondContact ND1-OG1 2.86Å; F303-T307 WeakPolarHBondContact O-CB 3.19Å; F303-T307 PolarHBondContact O-N 3.08Å; F303-T307 VanDerWaalsContact O-N 3.11Å; F303-T307 PolarHBondContact O-OG1 3.27Å; T304-T307 PolarHBondContact O-N 3.18Å; S305-T307 VanDerWaalsContact C-N 3.32Å; S305-T307 PolarHBondContact O-N 3.28Å; T307-I309 PolarHBondContact O-N 2.95Å; T307-I310 VanDerWaalsContact O-CB 3.29Å; T307-I310 WeakPolarHBondContact O-CB 3.42Å; T307-I310 WeakPolarHBondContact O-CG1 3.26Å; T307-I310 PolarHBondContact O-N 3.3Å; T307-I310 VanDerWaalsContact O-N 3.07Å; T307-A357 HydrophobicContact CG2-CB 3.53Å |
| 308 | M | 98.2 | Very high | 98 | Very high | 59 Ų | 59 | 47 Ų | 47 | 29% | 0.291 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.1 | -31 | 179.2 | -73 | -178.8 | -178.9 | 0 | 0 | 112.7 | T304 S305 I310 A311 V354 A357 N358 | T304-M308 HydrophobicContact CG2-CE 3.72Å; T304-M308 HydrophobicContact CG2-SD 4.12Å; T304-M308 WeakPolarHBondContact O-CG 3.33Å; T304-M308 PolarHBondContact O-N 3.41Å; S305-M308 PolarHBondContact O-N 3.16Å; M308-I310 PolarHBondContact O-N 3.33Å; M308-A311 VanDerWaalsContact O-CB 3.22Å; M308-A311 WeakPolarHBondContact O-CB 3.5Å; M308-A311 PolarHBondContact O-N 3.42Å; M308-V354 HydrophobicContact CG-CG1 4.47Å; M308-A357 HydrophobicContact CE-CB 4.33Å; M308-A357 HydrophobicContact CG-CB 3.81Å; M308-N358 HydrophobicContact CE-CB 3.55Å |
| 309 | I | 98 | Very high | 98 | Very high | 93 Ų | 93 | 47.2 Ų | 47.2 | 48% | 0.477 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.8 | -29.3 | 175.5 | -72.8 | 167.1 | 0 | 0 | 0 | 111.8 | L281 S305 A306 T307 A311 V312 P313 | L281-I309 HydrophobicContact CD1-CG2 4.18Å; L281-I309 HydrophobicContact CD2-CG2 4.41Å; S305-I309 WeakPolarHBondContact O-CG1 3.22Å; S305-I309 PolarHBondContact O-N 3.17Å; S305-I309 VanDerWaalsContact O-N 3.11Å; A306-I309 PolarHBondContact O-N 3.05Å; T307-I309 PolarHBondContact O-N 2.95Å; I309-A311 PolarHBondContact O-N 2.99Å; I309-A311 VanDerWaalsContact O-N 3.16Å; I309-V312 WeakPolarHBondContact O-CB 3.15Å; I309-V312 PolarHBondContact O-N 2.93Å; I309-P313 WeakPolarHBondContact O-CD 3.32Å |
| 310 | I | 98.1 | Very high | 98.1 | Very high | 9 Ų | 9 | 45.1 Ų | 45.1 | 5% | 0.046 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -23.6 | 178.4 | -58.5 | 178.3 | 0 | 0 | 0 | 112.2 | Y242 I278 L281 V285 T307 M308 V312 P313 T314 | Y242-I310 HydrophobicContact CE1-CG2 4.44Å; Y242-I310 HydrophobicContact CE2-CD1 4.32Å; Y242-I310 WeakPolarHBondContact OH-CD1 3.42Å; I278-I310 HydrophobicContact CG1-CG2 4.32Å; L281-I310 HydrophobicContact CB-CD1 3.87Å; L281-I310 HydrophobicContact CB-CG1 3.73Å; L281-I310 HydrophobicContact CD1-CG1 3.81Å; L281-I310 HydrophobicContact CG-CG1 4.23Å; V285-I310 HydrophobicContact CG1-CD1 4.07Å; V285-I310 HydrophobicContact CG2-CD1 3.86Å; T307-I310 VanDerWaalsContact O-CB 3.29Å; T307-I310 WeakPolarHBondContact O-CB 3.42Å; T307-I310 WeakPolarHBondContact O-CG1 3.26Å; T307-I310 PolarHBondContact O-N 3.3Å; T307-I310 VanDerWaalsContact O-N 3.07Å; M308-I310 PolarHBondContact O-N 3.33Å; I310-V312 PolarHBondContact O-N 3Å; I310-P313 VanDerWaalsContact O-CD 3.26Å; I310-P313 WeakPolarHBondContact O-CD 3.46Å; I310-P313 WeakPolarHBondContact O-CG 3.3Å; I310-T314 WeakPolarHBondContact O-CB 3.28Å; I310-T314 PolarHBondContact O-N 3.29Å; I310-T314 PolarHBondContact O-OG1 3.45Å |
| 311 | A | 98 | Very high | 98.2 | Very high | 44 Ų | 44 | 42.2 Ų | 42.2 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.2 | -28 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M308 I309 G315 V354 | M308-A311 VanDerWaalsContact O-CB 3.22Å; M308-A311 WeakPolarHBondContact O-CB 3.5Å; M308-A311 PolarHBondContact O-N 3.42Å; I309-A311 PolarHBondContact O-N 2.99Å; I309-A311 VanDerWaalsContact O-N 3.16Å; A311-G315 PolarHBondContact O-N 3.39Å; A311-V354 HydrophobicContact CB-CG2 3.85Å |
| 312 | V | 98.2 | Very high | 98.2 | Very high | 96 Ų | 96 | 44.4 Ų | 44.4 | 58% | 0.582 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -66.7 | -60.4 | 179.6 | 179.7 | 0 | 0 | 0 | 0 | 112.3 | I309 I310 T314 G315 I316 | I309-V312 WeakPolarHBondContact O-CB 3.15Å; I309-V312 PolarHBondContact O-N 2.93Å; I310-V312 PolarHBondContact O-N 3Å; V312-T314 PolarHBondContact O-N 3.34Å; V312-G315 PolarHBondContact O-N 2.84Å; V312-G315 VanDerWaalsContact O-N 3.08Å; V312-I316 WeakPolarHBondContact O-CG1 3.5Å; V312-I316 PolarHBondContact O-N 3.47Å |
| 313 | P | 98.4 | Very high | 98.2 | Very high | 10 Ų | 10 | 39.9 Ų | 39.9 | 7% | 0.065 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.6 | -30.8 | 177.1 | 25.2 | -34.1 | 0 | 0 | 0 | 112.3 | A274 A277 I278 L281 I309 I310 I316 K317 | A274-P313 HydrophobicContact CB-CB 3.9Å; A274-P313 WeakPolarHBondContact CB-O 3.48Å; A277-P313 HydrophobicContact CB-CB 4.11Å; A277-P313 HydrophobicContact CB-CG 4.3Å; I278-P313 HydrophobicContact CD1-CB 4.31Å; I278-P313 HydrophobicContact CG1-CB 3.95Å; I278-P313 HydrophobicContact CG1-CG 3.78Å; L281-P313 HydrophobicContact CD1-CG 4.31Å; I309-P313 WeakPolarHBondContact O-CD 3.32Å; I310-P313 VanDerWaalsContact O-CD 3.26Å; I310-P313 WeakPolarHBondContact O-CD 3.46Å; I310-P313 WeakPolarHBondContact O-CG 3.3Å; P313-I316 PolarHBondContact O-N 3.3Å; P313-K317 WeakPolarHBondContact O-CG 3.29Å; P313-K317 PolarHBondContact O-N 2.79Å |
| 314 | T | 97.8 | Very high | 98.2 | Very high | 26 Ų | 26 | 39.2 Ų | 39.2 | 16% | 0.16 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -45.2 | 172.5 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | I310 V312 I316 K317 I318 F346 | I310-T314 WeakPolarHBondContact O-CB 3.28Å; I310-T314 PolarHBondContact O-N 3.29Å; I310-T314 PolarHBondContact O-OG1 3.45Å; V312-T314 PolarHBondContact O-N 3.34Å; T314-I316 PolarHBondContact O-N 2.93Å; T314-K317 WeakPolarHBondContact O-CB 3.36Å; T314-K317 PolarHBondContact O-N 3.3Å; T314-K317 VanDerWaalsContact O-N 3.13Å; T314-I318 PolarHBondContact O-N 2.99Å; T314-I318 VanDerWaalsContact O-N 3.14Å; T314-F346 HydrophobicContact CG2-CE1 3.7Å; T314-F346 HydrophobicContact CG2-CZ 4.27Å |
| 315 | G | 97.9 | Very high | 98.1 | Very high | 36 Ų | 36 | 39.4 Ų | 39.4 | 37% | 0.371 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.4 | -38.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A311 V312 K317 I318 F319 | A311-G315 PolarHBondContact O-N 3.39Å; V312-G315 PolarHBondContact O-N 2.84Å; V312-G315 VanDerWaalsContact O-N 3.08Å; G315-K317 PolarHBondContact O-N 2.92Å; G315-I318 PolarHBondContact O-N 3.17Å; G315-F319 WeakPolarHBondContact O-CB 3.25Å; G315-F319 PolarHBondContact O-N 2.91Å |
| 316 | I | 98.3 | Very high | 98 | Very high | 72 Ų | 72 | 43.2 Ų | 43.2 | 37% | 0.369 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -53.7 | -44.7 | 172.3 | -67.8 | 172.8 | 0 | 0 | 0 | 110 | A274 V312 P313 T314 F319 S320 | A274-I316 HydrophobicContact CB-CB 4.35Å; A274-I316 HydrophobicContact CB-CG2 4.25Å; V312-I316 WeakPolarHBondContact O-CG1 3.5Å; V312-I316 PolarHBondContact O-N 3.47Å; P313-I316 PolarHBondContact O-N 3.3Å; T314-I316 PolarHBondContact O-N 2.93Å; I316-F319 PolarHBondContact O-N 3.23Å; I316-S320 WeakPolarHBondContact O-CB 3.46Å; I316-S320 PolarHBondContact O-N 3Å; I316-S320 PolarHBondContact O-OG 3.35Å; I316-S320 VanDerWaalsContact O-OG 3.1Å |
| 317 | K | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.1 | -42.4 | -178 | -64.3 | 170.9 | 53.2 | -90.4 | 0 | 112.8 | F249 M271 A274 M275 I278 P313 T314 G315 F319 S320 W321 | F249-K317 HydrophobicContact CD2-CD 4.31Å; F249-K317 VanDerWaalsContact CE1-NZ 3.27Å; M271-K317 HydrophobicContact CE-CB 4.12Å; M271-K317 HydrophobicContact CE-CG 4.07Å; M271-K317 VanDerWaalsContact SD-CA 3.56Å; M271-K317 HydrophobicContact SD-CB 3.83Å; M271-K317 HydrophobicContact SD-CG 3.67Å; A274-K317 HydrophobicContact CB-CD 3.92Å; A274-K317 HydrophobicContact CB-CG 3.77Å; M275-K317 HydrophobicContact CG-CD 4.17Å; I278-K317 HydrophobicContact CD1-CD 4.09Å; P313-K317 WeakPolarHBondContact O-CG 3.29Å; P313-K317 PolarHBondContact O-N 2.79Å; T314-K317 WeakPolarHBondContact O-CB 3.36Å; T314-K317 PolarHBondContact O-N 3.3Å; T314-K317 VanDerWaalsContact O-N 3.13Å; G315-K317 PolarHBondContact O-N 2.92Å; K317-F319 VanDerWaalsContact C-N 3.33Å; K317-F319 PolarHBondContact O-N 3.45Å; K317-S320 PolarHBondContact O-N 2.8Å; K317-W321 HydrophobicContact CB-CH2 4.27Å; K317-W321 HydrophobicContact CB-CZ3 4.36Å; K317-W321 VanDerWaalsContact O-CD2 3.29Å; K317-W321 PolarHBondContact O-N 3.42Å |
| 318 | I | 98.2 | Very high | 97.6 | Very high | 22 Ų | 22 | 47.3 Ų | 47.3 | 11% | 0.113 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.2 | -47.5 | 174 | -62.2 | -64.8 | 0 | 0 | 0 | 110.4 | T314 G315 S320 W321 L322 V343 F346 T347 | T314-I318 PolarHBondContact O-N 2.99Å; T314-I318 VanDerWaalsContact O-N 3.14Å; G315-I318 PolarHBondContact O-N 3.17Å; I318-S320 PolarHBondContact O-N 3.12Å; I318-W321 HydrophobicContact CD1-CE3 3.84Å; I318-W321 HydrophobicContact CD1-CZ3 3.67Å; I318-W321 PolarHBondContact O-N 2.99Å; I318-L322 HydrophobicContact CG2-CD1 4.05Å; I318-L322 WeakPolarHBondContact O-CG 3.08Å; I318-L322 PolarHBondContact O-N 3.29Å; I318-V343 HydrophobicContact CD1-CG1 4.29Å; I318-V343 HydrophobicContact CG2-CG1 4.34Å; I318-F346 HydrophobicContact CD1-CD1 4.16Å; I318-T347 WeakPolarHBondContact CD1-OG1 3.1Å |
| 319 | F | 98.2 | Very high | 97.3 | Very high | 127 Ų | 127 | 53.8 Ų | 53.8 | 56% | 0.557 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.2 | -45.9 | 177 | 178 | -97.2 | 0 | 0 | 0 | 111.9 | F266 G315 I316 K317 W321 L322 A323 | F266-F319 HydrophobicContact CD1-CE1 4.35Å; F266-F319 HydrophobicContact CE1-CD1 4.33Å; F266-F319 AromaticContact CE1-CE1 3.74Å; F266-F319 HydrophobicContact CE1-CE1 3.74Å; F266-F319 HydrophobicContact CZ-CE1 4.45Å; G315-F319 WeakPolarHBondContact O-CB 3.25Å; G315-F319 PolarHBondContact O-N 2.91Å; I316-F319 PolarHBondContact O-N 3.23Å; K317-F319 VanDerWaalsContact C-N 3.33Å; K317-F319 PolarHBondContact O-N 3.45Å; F319-W321 VanDerWaalsContact C-N 3.32Å; F319-W321 PolarHBondContact O-N 3.16Å; F319-L322 PolarHBondContact O-N 3.17Å; F319-A323 HydrophobicContact CE1-CB 4.28Å; F319-A323 HydrophobicContact CZ-CB 4.46Å; F319-A323 VanDerWaalsContact O-CB 3.31Å; F319-A323 WeakPolarHBondContact O-CB 3.35Å; F319-A323 PolarHBondContact O-N 3.4Å |
| 320 | S | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 51.5 Ų | 51.5 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 177.8 | -72.8 | 0 | 0 | 0 | 0 | 112.7 | F266 M271 I316 K317 I318 T324 | F266-S320 VanDerWaalsContact O-CB 3.22Å; F266-S320 WeakPolarHBondContact O-CB 3.35Å; F266-S320 PolarHBondContact O-OG 2.98Å; M271-S320 WeakPolarHBondContact SD-CB 3.49Å; I316-S320 WeakPolarHBondContact O-CB 3.46Å; I316-S320 PolarHBondContact O-N 3Å; I316-S320 PolarHBondContact O-OG 3.35Å; I316-S320 VanDerWaalsContact O-OG 3.1Å; K317-S320 PolarHBondContact O-N 2.8Å; I318-S320 PolarHBondContact O-N 3.12Å; S320-T324 WeakPolarHBondContact O-CB 3.34Å; S320-T324 PolarHBondContact O-N 3.47Å; S320-T324 PolarHBondContact O-OG1 2.96Å |
| 321 | W | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65 | -45.7 | 174.3 | -68.6 | -37.8 | 0 | 0 | 0 | 112.5 | F249 I252 S253 I256 M271 K317 I318 F319 A323 T324 L325 F342 V343 | F249-W321 HydrophobicContact CB-CH2 4.14Å; F249-W321 HydrophobicContact CB-CZ2 3.93Å; F249-W321 AromaticContact CD1-CH2 3.55Å; F249-W321 HydrophobicContact CD1-CH2 3.55Å; F249-W321 HydrophobicContact CD1-CZ2 4.2Å; F249-W321 HydrophobicContact CE1-CH2 4.14Å; F249-W321 HydrophobicContact CG-CH2 4.09Å; F249-W321 HydrophobicContact CG-CZ2 4.39Å; I252-W321 HydrophobicContact CB-CZ2 4.36Å; I252-W321 HydrophobicContact CG2-CD2 4.15Å; I252-W321 HydrophobicContact CG2-CZ2 4.17Å; S253-W321 PolarHBondContact OG-NE1 3.05Å; I256-W321 HydrophobicContact CD1-CB 3.66Å; I256-W321 HydrophobicContact CD1-CD2 4.49Å; I256-W321 HydrophobicContact CD1-CG 3.72Å; M271-W321 HydrophobicContact CE-CZ2 3.95Å; K317-W321 HydrophobicContact CB-CH2 4.27Å; K317-W321 HydrophobicContact CB-CZ3 4.36Å; K317-W321 VanDerWaalsContact O-CD2 3.29Å; K317-W321 PolarHBondContact O-N 3.42Å; I318-W321 HydrophobicContact CD1-CE3 3.84Å; I318-W321 HydrophobicContact CD1-CZ3 3.67Å; I318-W321 PolarHBondContact O-N 2.99Å; F319-W321 VanDerWaalsContact C-N 3.32Å; F319-W321 PolarHBondContact O-N 3.16Å; W321-A323 PolarHBondContact O-N 3.22Å; W321-T324 WeakPolarHBondContact O-CB 3.45Å; W321-T324 PolarHBondContact O-N 3.21Å; W321-T324 VanDerWaalsContact O-N 3.17Å; W321-L325 WeakPolarHBondContact O-CG 3.33Å; W321-L325 PolarHBondContact O-N 3.23Å; W321-F342 HydrophobicContact CE3-CE1 4.42Å; W321-F342 AromaticContact CH2-CE1 3.64Å; W321-F342 HydrophobicContact CH2-CE1 3.64Å; W321-F342 HydrophobicContact CH2-CZ 4.24Å; W321-F342 HydrophobicContact CZ2-CE1 4.45Å; W321-F342 HydrophobicContact CZ3-CD1 4.48Å; W321-F342 AromaticContact CZ3-CE1 3.63Å; W321-F342 HydrophobicContact CZ3-CE1 3.63Å; W321-V343 HydrophobicContact CB-CG2 4.29Å; W321-V343 HydrophobicContact CD2-CG2 4.34Å; W321-V343 HydrophobicContact CE3-CG2 3.89Å |
| 322 | L | 98 | Very high | 96.4 | Very high | 93 Ų | 93 | 59.7 Ų | 59.7 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 177.7 | -66.1 | 175.5 | 0 | 0 | 0 | 112.2 | I318 F319 T324 L325 H326 V343 | I318-L322 HydrophobicContact CG2-CD1 4.05Å; I318-L322 WeakPolarHBondContact O-CG 3.08Å; I318-L322 PolarHBondContact O-N 3.29Å; F319-L322 PolarHBondContact O-N 3.17Å; L322-T324 VanDerWaalsContact C-N 3.29Å; L322-T324 PolarHBondContact O-N 3.04Å; L322-L325 PolarHBondContact O-N 3.49Å; L322-H326 PolarHBondContact O-N 2.99Å; L322-V343 HydrophobicContact CD2-CG1 4.25Å |
| 323 | A | 98.2 | Very high | 96.3 | Very high | 21 Ų | 21 | 56.2 Ų | 56.2 | 17% | 0.174 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.3 | -33.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | K262 F266 F319 W321 H326 | K262-A323 PolarHBondContact NZ-O 3.04Å; F266-A323 HydrophobicContact CB-CB 3.97Å; F266-A323 HydrophobicContact CD1-CB 3.67Å; F266-A323 HydrophobicContact CD2-CB 4.3Å; F266-A323 HydrophobicContact CE1-CB 4.26Å; F266-A323 HydrophobicContact CG-CB 3.7Å; F319-A323 HydrophobicContact CE1-CB 4.28Å; F319-A323 HydrophobicContact CZ-CB 4.46Å; F319-A323 VanDerWaalsContact O-CB 3.31Å; F319-A323 WeakPolarHBondContact O-CB 3.35Å; F319-A323 PolarHBondContact O-N 3.4Å; W321-A323 PolarHBondContact O-N 3.22Å; A323-H326 WeakPolarHBondContact O-CB 3.41Å; A323-H326 PolarHBondContact O-N 2.97Å |
| 324 | T | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 172.6 | -52.9 | 0 | 0 | 0 | 0 | 111.3 | I256 S260 K262 T265 F266 S320 W321 L322 H326 | I256-T324 HydrophobicContact CG2-CG2 3.72Å; S260-T324 PolarHBondContact OG-O 3Å; K262-T324 HydrophobicContact CB-CG2 4.5Å; K262-T324 HydrophobicContact CD-CG2 4.05Å; K262-T324 VanDerWaalsContact CD-O 3.23Å; K262-T324 WeakPolarHBondContact CD-O 3.44Å; K262-T324 WeakPolarHBondContact CE-O 3.19Å; K262-T324 PolarHBondContact NZ-O 3.45Å; T265-T324 WeakPolarHBondContact CG2-OG1 3.46Å; F266-T324 WeakPolarHBondContact CB-OG1 3.42Å; F266-T324 PolarHBondContact N-OG1 3.32Å; S320-T324 WeakPolarHBondContact O-CB 3.34Å; S320-T324 PolarHBondContact O-N 3.47Å; S320-T324 PolarHBondContact O-OG1 2.96Å; W321-T324 WeakPolarHBondContact O-CB 3.45Å; W321-T324 PolarHBondContact O-N 3.21Å; W321-T324 VanDerWaalsContact O-N 3.17Å; L322-T324 VanDerWaalsContact C-N 3.29Å; L322-T324 PolarHBondContact O-N 3.04Å; T324-H326 VanDerWaalsContact C-N 3.3Å; T324-H326 PolarHBondContact O-N 3.23Å |
| 325 | L | 97.4 | Very high | 96.2 | Very high | 20 Ų | 20 | 55 Ų | 55 | 11% | 0.105 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -75 | -18.6 | 174.6 | -65.7 | 165.6 | 0 | 0 | 0 | 113.3 | I256 W321 L322 G327 T328 L330 I336 L340 | I256-L325 HydrophobicContact CD1-CD1 4.46Å; I256-L325 HydrophobicContact CG2-CD2 3.91Å; I256-L325 HydrophobicContact CG2-CG 3.84Å; W321-L325 WeakPolarHBondContact O-CG 3.33Å; W321-L325 PolarHBondContact O-N 3.23Å; L322-L325 PolarHBondContact O-N 3.49Å; L325-G327 PolarHBondContact O-N 2.99Å; L325-T328 PolarHBondContact O-N 2.95Å; L325-T328 PolarHBondContact O-OG1 2.94Å; L325-L330 HydrophobicContact CD2-CD1 4.43Å; L325-L330 HydrophobicContact CD2-CD2 3.75Å; L325-I336 HydrophobicContact CD2-CD1 3.9Å; L325-L340 HydrophobicContact CD1-CD2 3.65Å |
| 326 | H | 96.5 | Very high | 96.2 | Very high | 151 Ų | 151 | 53.3 Ų | 53.3 | 70% | 0.699 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | 131.5 | -177 | -176.2 | 75.2 | 0 | 0 | 0 | 112.4 | K262 L322 A323 T324 T328 | K262-H326 PolarHBondContact NZ-O 3.46Å; L322-H326 PolarHBondContact O-N 2.99Å; A323-H326 WeakPolarHBondContact O-CB 3.41Å; A323-H326 PolarHBondContact O-N 2.97Å; T324-H326 VanDerWaalsContact C-N 3.3Å; T324-H326 PolarHBondContact O-N 3.23Å; H326-T328 VanDerWaalsContact C-N 3.34Å |
| 327 | G | 94.4 | Very high | 96.2 | Very high | 75 Ų | 75 | 51.3 Ų | 51.3 | 77% | 0.773 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 10 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L325 | L325-G327 PolarHBondContact O-N 2.99Š|
| 328 | T | 93.8 | Very high | 96.2 | Very high | 35 Ų | 35 | 51.3 Ų | 51.3 | 22% | 0.215 | 28% | 0.278 | C | S | . | . | trans | -99.4 | 152 | -177.5 | 70.5 | 0 | 0 | 0 | 0 | 111.5 | S260 L325 H326 L330 | S260-T328 WeakPolarHBondContact O-CG2 3.28Å; L325-T328 PolarHBondContact O-N 2.95Å; L325-T328 PolarHBondContact O-OG1 2.94Å; H326-T328 VanDerWaalsContact C-N 3.34Å; T328-L330 VanDerWaalsContact OG1-CD2 3.29Å; T328-L330 WeakPolarHBondContact OG1-CD2 3.28Å | ||
| 329 | Q | 91.8 | Very high | 96.2 | Very high | 195 Ų | 195 | 50.3 Ų | 50.3 | 91% | 0.911 | 27% | 0.273 | S | S | * | . | trans | -93.4 | 97.9 | 170.1 | -68.9 | -173.1 | -10.9 | 0 | 0 | 109 | S331 | Q329-S331 PolarHBondContact O-N 2.92Š| ||
| 330 | L | 90.8 | Very high | 96.2 | Very high | 46 Ų | 46 | 46.7 Ų | 46.7 | 24% | 0.241 | 26% | 0.259 | C | S | . | . | trans | -73.4 | 123.6 | -174.7 | -61.9 | 177.5 | 0 | 0 | 0 | 112.1 | L325 T328 Y332 I336 L340 | L325-L330 HydrophobicContact CD2-CD1 4.43Å; L325-L330 HydrophobicContact CD2-CD2 3.75Å; T328-L330 VanDerWaalsContact OG1-CD2 3.29Å; T328-L330 WeakPolarHBondContact OG1-CD2 3.28Å; L330-Y332 PolarHBondContact O-N 3.28Å; L330-I336 HydrophobicContact CD2-CG1 4.29Å; L330-L340 HydrophobicContact CD1-CD1 4.48Å | ||
| 331 | S | 88.7 | Confident | 96.1 | Very high | 86 Ų | 86 | 46.7 Ų | 46.7 | 60% | 0.601 | 26% | 0.26 | S | S | * | . | trans | -84.7 | 29.5 | 177.4 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | Q329 S333 | Q329-S331 PolarHBondContact O-N 2.92Å; S331-S333 PolarHBondContact O-N 3.2Å | ||
| 332 | Y | 94.3 | Very high | 96.1 | Very high | 139 Ų | 139 | 46.7 Ų | 46.7 | 55% | 0.545 | 26% | 0.26 | S | S | . | . | trans | 19.2 | 51.3 | 180 | -68.1 | -74.3 | 0 | 0 | 0 | 115.4 | L330 L337 K409 | L330-Y332 PolarHBondContact O-N 3.28Å; Y332-L337 HydrophobicContact CD1-CD2 3.97Å; Y332-K409 WeakPolarHBondContact O-CE 3.45Å; Y332-K409 PolarHBondContact O-NZ 3.32Å | ||
| 333 | S | 96 | Very high | 96.2 | Very high | 22 Ų | 22 | 42.7 Ų | 42.7 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | trans | -71.6 | 162.2 | 176.6 | 70.9 | 0 | 0 | 0 | 0 | 109 | E259 S331 A335 I336 L337 | E259-S333 PolarHBondContact OE1-OG 3.24Å; E259-S333 WeakPolarHBondContact OE2-CB 3.45Å; E259-S333 PolarHBondContact OE2-OG 2.85Å; S331-S333 PolarHBondContact O-N 3.2Å; S333-A335 VanDerWaalsContact C-N 3.27Å; S333-A335 PolarHBondContact O-N 3.19Å; S333-I336 VanDerWaalsContact N-CG2 3.28Å; S333-I336 WeakPolarHBondContact O-CG2 3.45Å; S333-I336 PolarHBondContact O-N 3.01Å; S333-I336 WeakPolarHBondContact OG-CG2 3.36Å; S333-I336 PolarHBondContact OG-N 2.76Å; S333-L337 VanDerWaalsContact O-CG 3.29Å; S333-L337 WeakPolarHBondContact O-CG 3.36Å; S333-L337 PolarHBondContact O-N 3.42Å | ||
| 334 | P | 97.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 47.6 Ų | 47.6 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -53.9 | -44 | 172.1 | -29.7 | 38.6 | 0 | 0 | 0 | 113.1 | I336 L337 W338 I392 N405 L408 K409 | P334-I336 PolarHBondContact O-N 2.89Å; P334-L337 PolarHBondContact O-N 3.45Å; P334-W338 PolarHBondContact O-N 2.75Å; P334-W338 VanDerWaalsContact O-N 3.07Å; P334-I392 HydrophobicContact CB-CG2 3.93Å; P334-N405 WeakPolarHBondContact CD-OD1 3.27Å; P334-N405 WeakPolarHBondContact CG-OD1 3.03Å; P334-L408 HydrophobicContact CB-CB 3.73Å; P334-L408 HydrophobicContact CB-CD1 3.98Å; P334-L408 HydrophobicContact CG-CB 3.61Å; P334-L408 HydrophobicContact CG-CD1 3.95Å; P334-L408 HydrophobicContact CG-CG 4.48Å; P334-K409 HydrophobicContact CG-CG 4.31Å |
| 335 | A | 96.7 | Very high | 96.1 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 5% | 0.05 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.1 | -46.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I255 S333 L337 W338 A339 H393 | I255-A335 HydrophobicContact CG2-CB 3.95Å; S333-A335 VanDerWaalsContact C-N 3.27Å; S333-A335 PolarHBondContact O-N 3.19Å; A335-L337 PolarHBondContact O-N 3.37Å; A335-W338 PolarHBondContact O-N 3.04Å; A335-A339 PolarHBondContact O-N 2.96Å; A335-H393 HydrophobicContact CB-CB 4.25Å |
| 336 | I | 97.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.9 | -31.8 | 178.3 | -160.5 | 57.8 | 0 | 0 | 0 | 112.5 | I256 E259 L325 L330 S333 P334 A339 L340 | I256-I336 HydrophobicContact CG1-CD1 4.34Å; E259-I336 HydrophobicContact CB-CB 4.09Å; E259-I336 HydrophobicContact CB-CD1 3.74Å; E259-I336 HydrophobicContact CB-CG1 4.11Å; E259-I336 HydrophobicContact CG-CB 3.97Å; E259-I336 HydrophobicContact CG-CD1 4.22Å; E259-I336 HydrophobicContact CG-CG1 4.5Å; L325-I336 HydrophobicContact CD2-CD1 3.9Å; L330-I336 HydrophobicContact CD2-CG1 4.29Å; S333-I336 VanDerWaalsContact N-CG2 3.28Å; S333-I336 WeakPolarHBondContact O-CG2 3.45Å; S333-I336 PolarHBondContact O-N 3.01Å; S333-I336 WeakPolarHBondContact OG-CG2 3.36Å; S333-I336 PolarHBondContact OG-N 2.76Å; P334-I336 PolarHBondContact O-N 2.89Å; I336-A339 HydrophobicContact CD1-CB 4.36Å; I336-A339 PolarHBondContact O-N 3.2Å; I336-L340 HydrophobicContact CG1-CD1 4.33Å; I336-L340 HydrophobicContact CG1-CG 4.35Å; I336-L340 WeakPolarHBondContact O-CB 3.33Å; I336-L340 VanDerWaalsContact O-CG 3.25Å; I336-L340 WeakPolarHBondContact O-CG 3.49Å; I336-L340 PolarHBondContact O-N 3.15Å |
| 337 | L | 98.4 | Very high | 96.2 | Very high | 31 Ų | 31 | 42.4 Ų | 42.4 | 16% | 0.162 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.4 | -46.8 | 174.4 | -72.6 | 173.1 | 0 | 0 | 0 | 111.3 | Y332 S333 P334 A335 A339 L340 G341 K409 F412 | Y332-L337 HydrophobicContact CD1-CD2 3.97Å; S333-L337 VanDerWaalsContact O-CG 3.29Å; S333-L337 WeakPolarHBondContact O-CG 3.36Å; S333-L337 PolarHBondContact O-N 3.42Å; P334-L337 PolarHBondContact O-N 3.45Å; A335-L337 PolarHBondContact O-N 3.37Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-A339 PolarHBondContact O-N 3.04Å; L337-L340 PolarHBondContact O-N 3.42Å; L337-G341 PolarHBondContact O-N 3.45Å; L337-K409 HydrophobicContact CD1-CB 4.44Å; L337-K409 HydrophobicContact CD1-CD 4.44Å; L337-K409 HydrophobicContact CD1-CG 3.9Å; L337-F412 HydrophobicContact CB-CD1 3.93Å; L337-F412 HydrophobicContact CB-CD2 4.26Å; L337-F412 HydrophobicContact CB-CE1 4Å; L337-F412 HydrophobicContact CB-CE2 4.33Å; L337-F412 HydrophobicContact CB-CG 4.06Å; L337-F412 HydrophobicContact CB-CZ 4.2Å; L337-F412 HydrophobicContact CD1-CD1 4.2Å; L337-F412 HydrophobicContact CD2-CE1 4.3Å; L337-F412 HydrophobicContact CG-CD1 4.47Å; L337-F412 VanDerWaalsContact O-CE2 3.22Å; L337-F412 WeakPolarHBondContact O-CE2 2.81Å; L337-F412 VanDerWaalsContact O-CZ 3.31Å; L337-F412 WeakPolarHBondContact O-CZ 3.33Å |
| 338 | W | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.2 | -40.1 | 175 | -75.8 | 100.4 | 0 | 0 | 0 | 112 | P334 A335 G341 F342 F385 M388 A389 I392 H411 F412 M415 | P334-W338 PolarHBondContact O-N 2.75Å; P334-W338 VanDerWaalsContact O-N 3.07Å; A335-W338 PolarHBondContact O-N 3.04Å; W338-G341 PolarHBondContact O-N 3.34Å; W338-F342 WeakPolarHBondContact O-CB 3.37Å; W338-F342 PolarHBondContact O-N 2.91Å; W338-F385 HydrophobicContact CE3-CB 4.13Å; W338-F385 AromaticContact CE3-CD1 3.66Å; W338-F385 HydrophobicContact CE3-CD1 3.66Å; W338-F385 HydrophobicContact CE3-CD2 4.19Å; W338-F385 HydrophobicContact CE3-CE1 4.04Å; W338-F385 AromaticContact CE3-CG 3.74Å; W338-F385 HydrophobicContact CE3-CG 3.74Å; W338-F385 HydrophobicContact CE3-CZ 4.46Å; W338-F385 HydrophobicContact CZ3-CB 4.42Å; W338-F385 AromaticContact CZ3-CD1 3.86Å; W338-F385 HydrophobicContact CZ3-CD1 3.86Å; W338-F385 AromaticContact CZ3-CD2 3.69Å; W338-F385 HydrophobicContact CZ3-CD2 3.69Å; W338-F385 AromaticContact CZ3-CE1 3.95Å; W338-F385 HydrophobicContact CZ3-CE1 3.95Å; W338-F385 AromaticContact CZ3-CE2 3.77Å; W338-F385 HydrophobicContact CZ3-CE2 3.77Å; W338-F385 AromaticContact CZ3-CG 3.73Å; W338-F385 HydrophobicContact CZ3-CG 3.73Å; W338-F385 AromaticContact CZ3-CZ 3.9Å; W338-F385 HydrophobicContact CZ3-CZ 3.9Å; W338-M388 HydrophobicContact CD2-CB 3.76Å; W338-M388 HydrophobicContact CE3-CB 3.58Å; W338-M388 HydrophobicContact CE3-CG 4.26Å; W338-M388 HydrophobicContact CG-CB 4.46Å; W338-M388 HydrophobicContact CH2-CB 4Å; W338-M388 HydrophobicContact CH2-CG 3.92Å; W338-M388 HydrophobicContact CZ2-CB 4.17Å; W338-M388 HydrophobicContact CZ2-CG 4.4Å; W338-M388 HydrophobicContact CZ3-CB 3.69Å; W338-M388 HydrophobicContact CZ3-CG 3.83Å; W338-A389 HydrophobicContact CB-CB 3.59Å; W338-I392 VanDerWaalsContact CD1-CD1 3.49Å; W338-I392 HydrophobicContact CG-CD1 4.44Å; W338-I392 VanDerWaalsContact NE1-CD1 3.3Å; W338-H411 AromaticContact CH2-CE1 3.91Å; W338-H411 AromaticContact CZ2-CE1 3.4Å; W338-H411 WeakPolarHBondContact CZ2-CE1 3.29Å; W338-H411 AromaticContact CZ2-ND1 3.57Å; W338-F412 AromaticContact CD2-CD2 3.73Å; W338-F412 HydrophobicContact CD2-CD2 3.73Å; W338-F412 HydrophobicContact CD2-CE2 4.42Å; W338-F412 AromaticContact CE2-CD2 3.79Å; W338-F412 HydrophobicContact CE3-CD2 4.15Å; W338-F412 AromaticContact CG-CD2 3.99Å; W338-F412 HydrophobicContact CG-CD2 3.99Å; W338-F412 HydrophobicContact CZ2-CB 4.21Å; W338-F412 HydrophobicContact CZ2-CD2 4.21Å; W338-M415 HydrophobicContact CH2-CB 3.72Å; W338-M415 HydrophobicContact CH2-CG 4Å; W338-M415 HydrophobicContact CZ2-CB 4.4Å |
| 339 | A | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66 | -40.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | I252 I255 I256 A335 I336 L337 F342 V343 | I252-A339 HydrophobicContact CD1-CB 4.03Å; I255-A339 HydrophobicContact CG2-CB 3.99Å; I256-A339 HydrophobicContact CD1-CB 4.46Å; I256-A339 HydrophobicContact CG1-CB 4.03Å; A335-A339 PolarHBondContact O-N 2.96Å; I336-A339 HydrophobicContact CD1-CB 4.36Å; I336-A339 PolarHBondContact O-N 3.2Å; L337-A339 VanDerWaalsContact C-N 3.34Å; L337-A339 PolarHBondContact O-N 3.04Å; A339-F342 WeakPolarHBondContact O-CB 3.37Å; A339-F342 PolarHBondContact O-N 3.4Å; A339-V343 WeakPolarHBondContact O-CG2 3.4Å; A339-V343 PolarHBondContact O-N 3.35Å |
| 340 | L | 98.1 | Very high | 96.8 | Very high | 52 Ų | 52 | 31 Ų | 31 | 27% | 0.272 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66 | -42.2 | 173.7 | -70.9 | 172.5 | 0 | 0 | 0 | 111.6 | L325 L330 I336 L337 F342 V343 F344 | L325-L340 HydrophobicContact CD1-CD2 3.65Å; L330-L340 HydrophobicContact CD1-CD1 4.48Å; I336-L340 HydrophobicContact CG1-CD1 4.33Å; I336-L340 HydrophobicContact CG1-CG 4.35Å; I336-L340 WeakPolarHBondContact O-CB 3.33Å; I336-L340 VanDerWaalsContact O-CG 3.25Å; I336-L340 WeakPolarHBondContact O-CG 3.49Å; I336-L340 PolarHBondContact O-N 3.15Å; L337-L340 PolarHBondContact O-N 3.42Å; L340-F342 VanDerWaalsContact C-N 3.32Å; L340-F342 PolarHBondContact O-N 3.21Å; L340-V343 PolarHBondContact O-N 3.1Å; L340-F344 WeakPolarHBondContact O-CB 3.32Å; L340-F344 PolarHBondContact O-N 3.42Å |
| 341 | G | 98.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 34 Ų | 34 | 3% | 0.031 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -58.6 | -44.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | L337 W338 L345 | L337-G341 PolarHBondContact O-N 3.45Å; W338-G341 PolarHBondContact O-N 3.34Å; G341-L345 WeakPolarHBondContact O-CB 3.46Å; G341-L345 WeakPolarHBondContact O-CG 3.26Å; G341-L345 PolarHBondContact O-N 3.38Å |
| 342 | F | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -57.3 | -56.6 | 172.6 | 171 | -88.2 | 0 | 0 | 0 | 111.3 | I245 F249 I252 W321 W338 A339 L340 F344 L345 F346 G382 F385 A386 | I245-F342 HydrophobicContact CD1-CE2 3.98Å; I245-F342 HydrophobicContact CD1-CZ 4.43Å; F249-F342 HydrophobicContact CD1-CE1 4.39Å; F249-F342 AromaticContact CD1-CZ 3.75Å; F249-F342 HydrophobicContact CD1-CZ 3.75Å; F249-F342 AromaticContact CE1-CZ 3.86Å; F249-F342 HydrophobicContact CE1-CZ 3.86Å; I252-F342 HydrophobicContact CB-CD1 4.23Å; I252-F342 HydrophobicContact CB-CE1 4.29Å; I252-F342 HydrophobicContact CD1-CB 4Å; I252-F342 HydrophobicContact CD1-CD1 4.09Å; I252-F342 HydrophobicContact CD1-CD2 4.47Å; I252-F342 HydrophobicContact CD1-CG 3.92Å; I252-F342 HydrophobicContact CG1-CB 4.43Å; I252-F342 HydrophobicContact CG1-CD1 3.62Å; I252-F342 HydrophobicContact CG1-CD2 4.19Å; I252-F342 HydrophobicContact CG1-CE1 3.88Å; I252-F342 HydrophobicContact CG1-CE2 4.4Å; I252-F342 HydrophobicContact CG1-CG 3.8Å; I252-F342 HydrophobicContact CG1-CZ 4.27Å; I252-F342 HydrophobicContact CG2-CD1 3.85Å; I252-F342 HydrophobicContact CG2-CE1 4.14Å; W321-F342 HydrophobicContact CE3-CE1 4.42Å; W321-F342 AromaticContact CH2-CE1 3.64Å; W321-F342 HydrophobicContact CH2-CE1 3.64Å; W321-F342 HydrophobicContact CH2-CZ 4.24Å; W321-F342 HydrophobicContact CZ2-CE1 4.45Å; W321-F342 HydrophobicContact CZ3-CD1 4.48Å; W321-F342 AromaticContact CZ3-CE1 3.63Å; W321-F342 HydrophobicContact CZ3-CE1 3.63Å; W338-F342 WeakPolarHBondContact O-CB 3.37Å; W338-F342 PolarHBondContact O-N 2.91Å; A339-F342 WeakPolarHBondContact O-CB 3.37Å; A339-F342 PolarHBondContact O-N 3.4Å; L340-F342 VanDerWaalsContact C-N 3.32Å; L340-F342 PolarHBondContact O-N 3.21Å; F342-F344 VanDerWaalsContact C-N 3.26Å; F342-F344 PolarHBondContact O-N 3.01Å; F342-L345 PolarHBondContact O-N 2.76Å; F342-F346 HydrophobicContact CE1-CB 4.42Å; F342-F346 HydrophobicContact CE1-CG 4.5Å; F342-F346 HydrophobicContact CE2-CB 4.32Å; F342-F346 HydrophobicContact CE2-CD2 4.42Å; F342-F346 HydrophobicContact CE2-CG 4.36Å; F342-F346 HydrophobicContact CZ-CB 4.24Å; F342-F346 HydrophobicContact CZ-CD1 4.38Å; F342-F346 HydrophobicContact CZ-CD2 4.36Å; F342-F346 HydrophobicContact CZ-CG 4.05Å; F342-F346 WeakPolarHBondContact O-CA 3.43Å; F342-F346 WeakPolarHBondContact O-CB 3.36Å; F342-F346 PolarHBondContact O-N 2.94Å; F342-G382 WeakPolarHBondContact CD2-O 3.37Å; F342-G382 WeakPolarHBondContact CE2-O 3.46Å; F342-F385 HydrophobicContact CB-CB 4.29Å; F342-A386 HydrophobicContact CD2-CB 3.99Å; F342-A386 HydrophobicContact CE2-CB 4.02Å |
| 343 | V | 98.3 | Very high | 97.7 | Very high | 9 Ų | 9 | 24.9 Ų | 24.9 | 6% | 0.055 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.3 | -43 | -176 | 172 | 0 | 0 | 0 | 0 | 110.6 | I252 I256 I318 W321 L322 A339 L340 T347 | I252-V343 HydrophobicContact CG2-CG2 4.43Å; I256-V343 HydrophobicContact CD1-CG2 4.01Å; I318-V343 HydrophobicContact CD1-CG1 4.29Å; I318-V343 HydrophobicContact CG2-CG1 4.34Å; W321-V343 HydrophobicContact CB-CG2 4.29Å; W321-V343 HydrophobicContact CD2-CG2 4.34Å; W321-V343 HydrophobicContact CE3-CG2 3.89Å; L322-V343 HydrophobicContact CD2-CG1 4.25Å; A339-V343 WeakPolarHBondContact O-CG2 3.4Å; A339-V343 PolarHBondContact O-N 3.35Å; L340-V343 PolarHBondContact O-N 3.1Å; V343-T347 WeakPolarHBondContact O-CB 3.32Å; V343-T347 PolarHBondContact O-N 3.48Å; V343-T347 PolarHBondContact O-OG1 3.46Å |
| 344 | F | 97.8 | Very high | 97.8 | Very high | 124 Ų | 124 | 26.4 Ų | 26.4 | 54% | 0.544 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -67 | -57.9 | 179.4 | 178.7 | -112.2 | 0 | 0 | 0 | 112.7 | L340 F342 T347 V348 F416 | L340-F344 WeakPolarHBondContact O-CB 3.32Å; L340-F344 PolarHBondContact O-N 3.42Å; F342-F344 VanDerWaalsContact C-N 3.26Å; F342-F344 PolarHBondContact O-N 3.01Å; F344-T347 WeakPolarHBondContact O-CB 3.36Å; F344-T347 PolarHBondContact O-N 3.48Å; F344-V348 HydrophobicContact CE2-CG2 4.47Å; F344-V348 HydrophobicContact CZ-CG2 4.34Å; F344-V348 PolarHBondContact O-N 3.2Å; F344-V348 VanDerWaalsContact O-N 3.11Å; F344-F416 HydrophobicContact CD1-CZ 4.31Å; F344-F416 HydrophobicContact CE1-CZ 4.48Å |
| 345 | L | 97.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -73.3 | -33.4 | -172.2 | -61.9 | 172.4 | 0 | 0 | 0 | 112.3 | G341 F342 T347 V348 G349 Y377 M381 F385 F416 N420 | G341-L345 WeakPolarHBondContact O-CB 3.46Å; G341-L345 WeakPolarHBondContact O-CG 3.26Å; G341-L345 PolarHBondContact O-N 3.38Å; F342-L345 PolarHBondContact O-N 2.76Å; L345-T347 VanDerWaalsContact C-N 3.28Å; L345-T347 PolarHBondContact O-N 3.47Å; L345-V348 PolarHBondContact O-N 2.96Å; L345-G349 PolarHBondContact O-N 3.33Å; L345-Y377 HydrophobicContact CD2-CE1 4.06Å; L345-M381 HydrophobicContact CB-CB 3.58Å; L345-M381 HydrophobicContact CB-CG 4.18Å; L345-M381 HydrophobicContact CB-SD 4.07Å; L345-M381 HydrophobicContact CD1-CB 3.86Å; L345-M381 HydrophobicContact CD1-CG 3.67Å; L345-M381 HydrophobicContact CD1-SD 3.79Å; L345-M381 HydrophobicContact CD2-SD 4.11Å; L345-M381 HydrophobicContact CG-CB 4.33Å; L345-M381 HydrophobicContact CG-CG 4.46Å; L345-M381 HydrophobicContact CG-SD 4.2Å; L345-F385 HydrophobicContact CD1-CD1 4.5Å; L345-F385 HydrophobicContact CD1-CE1 3.82Å; L345-F385 HydrophobicContact CD1-CZ 3.98Å; L345-F416 HydrophobicContact CD1-CD2 3.93Å; L345-F416 HydrophobicContact CD1-CE2 3.66Å; L345-F416 HydrophobicContact CD1-CZ 4.47Å; L345-F416 HydrophobicContact CD2-CE2 4.28Å; L345-F416 HydrophobicContact CD2-CZ 4.37Å; L345-F416 HydrophobicContact CG-CE2 4.03Å; L345-N420 VanDerWaalsContact CD2-OD1 3.31Å; L345-N420 WeakPolarHBondContact CD2-OD1 3.35Å |
| 346 | F | 98 | Very high | 97.9 | Very high | 12 Ų | 12 | 29.4 Ų | 29.4 | 5% | 0.053 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.9 | -35.4 | 171.4 | -177.5 | -98.1 | 0 | 0 | 0 | 111.4 | I245 F249 T314 I318 F342 G349 G350 V378 | I245-F346 HydrophobicContact CD1-CD2 4.21Å; I245-F346 HydrophobicContact CD1-CE2 4.05Å; I245-F346 HydrophobicContact CG1-CD2 4.37Å; I245-F346 HydrophobicContact CG1-CE2 3.73Å; I245-F346 HydrophobicContact CG1-CZ 4.31Å; F249-F346 HydrophobicContact CE1-CD1 4.39Å; F249-F346 AromaticContact CE1-CE1 3.75Å; F249-F346 HydrophobicContact CE1-CE1 3.75Å; F249-F346 HydrophobicContact CE1-CE2 4.06Å; F249-F346 AromaticContact CE1-CZ 3.58Å; F249-F346 HydrophobicContact CE1-CZ 3.58Å; F249-F346 AromaticContact CZ-CE1 3.94Å; F249-F346 HydrophobicContact CZ-CE1 3.94Å; F249-F346 HydrophobicContact CZ-CE2 4.23Å; F249-F346 AromaticContact CZ-CZ 3.52Å; F249-F346 HydrophobicContact CZ-CZ 3.52Å; T314-F346 HydrophobicContact CG2-CE1 3.7Å; T314-F346 HydrophobicContact CG2-CZ 4.27Å; I318-F346 HydrophobicContact CD1-CD1 4.16Å; F342-F346 HydrophobicContact CE1-CB 4.42Å; F342-F346 HydrophobicContact CE1-CG 4.5Å; F342-F346 HydrophobicContact CE2-CB 4.32Å; F342-F346 HydrophobicContact CE2-CD2 4.42Å; F342-F346 HydrophobicContact CE2-CG 4.36Å; F342-F346 HydrophobicContact CZ-CB 4.24Å; F342-F346 HydrophobicContact CZ-CD1 4.38Å; F342-F346 HydrophobicContact CZ-CD2 4.36Å; F342-F346 HydrophobicContact CZ-CG 4.05Å; F342-F346 WeakPolarHBondContact O-CA 3.43Å; F342-F346 WeakPolarHBondContact O-CB 3.36Å; F342-F346 PolarHBondContact O-N 2.94Å; F346-G349 PolarHBondContact O-N 2.93Å; F346-G350 PolarHBondContact O-N 2.92Å; F346-V378 HydrophobicContact CE2-CG1 4.13Å |
| 347 | T | 97.7 | Very high | 97.9 | Very high | 49 Ų | 49 | 29.5 Ų | 29.5 | 30% | 0.301 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.2 | -45.1 | 173 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | I318 V343 F344 L345 G349 G350 L351 | I318-T347 WeakPolarHBondContact CD1-OG1 3.1Å; V343-T347 WeakPolarHBondContact O-CB 3.32Å; V343-T347 PolarHBondContact O-N 3.48Å; V343-T347 PolarHBondContact O-OG1 3.46Å; F344-T347 WeakPolarHBondContact O-CB 3.36Å; F344-T347 PolarHBondContact O-N 3.48Å; L345-T347 VanDerWaalsContact C-N 3.28Å; L345-T347 PolarHBondContact O-N 3.47Å; T347-G349 VanDerWaalsContact C-N 3.34Å; T347-G349 PolarHBondContact O-N 2.85Å; T347-G350 PolarHBondContact O-N 2.88Å; T347-L351 HydrophobicContact CG2-CD1 4.48Å; T347-L351 WeakPolarHBondContact O-CG 3.25Å; T347-L351 PolarHBondContact O-N 3.22Å |
| 348 | V | 97.8 | Very high | 97.9 | Very high | 38 Ų | 38 | 30.4 Ų | 30.4 | 23% | 0.23 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 175.5 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | F344 L345 G350 L351 T352 Y377 | F344-V348 HydrophobicContact CE2-CG2 4.47Å; F344-V348 HydrophobicContact CZ-CG2 4.34Å; F344-V348 PolarHBondContact O-N 3.2Å; F344-V348 VanDerWaalsContact O-N 3.11Å; L345-V348 PolarHBondContact O-N 2.96Å; V348-G350 VanDerWaalsContact C-N 3.35Å; V348-G350 PolarHBondContact O-N 2.57Å; V348-L351 PolarHBondContact O-N 3.32Å; V348-T352 PolarHBondContact O-N 2.85Å; V348-T352 VanDerWaalsContact O-N 3.14Å; V348-Y377 HydrophobicContact CB-CD1 4.14Å; V348-Y377 HydrophobicContact CB-CE1 4.16Å; V348-Y377 HydrophobicContact CG1-CD1 3.95Å; V348-Y377 HydrophobicContact CG1-CE1 3.77Å |
| 349 | G | 97.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.5 | -39 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | L345 F346 T347 T352 G353 H374 | L345-G349 PolarHBondContact O-N 3.33Å; F346-G349 PolarHBondContact O-N 2.93Å; T347-G349 VanDerWaalsContact C-N 3.34Å; T347-G349 PolarHBondContact O-N 2.85Å; G349-T352 PolarHBondContact O-N 3.43Å; G349-T352 PolarHBondContact O-OG1 3.46Å; G349-G353 PolarHBondContact O-N 3.29Å; G349-H374 PolarHBondContact O-CE1 3.49Å; G349-H374 VanDerWaalsContact O-CE1 3.24Å; G349-H374 PolarHBondContact O-ND1 3.42Å |
| 350 | G | 96.8 | Very high | 97.8 | Very high | 27 Ų | 27 | 35.2 Ų | 35.2 | 28% | 0.278 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | F346 T347 V348 T352 G353 V354 | F346-G350 PolarHBondContact O-N 2.92Å; T347-G350 PolarHBondContact O-N 2.88Å; V348-G350 VanDerWaalsContact C-N 3.35Å; V348-G350 PolarHBondContact O-N 2.57Å; G350-T352 PolarHBondContact O-N 3.34Å; G350-G353 WeakPolarHBondContact O-CA 3.18Å; G350-G353 PolarHBondContact O-N 2.91Å; G350-G353 VanDerWaalsContact O-N 3.16Å; G350-V354 PolarHBondContact O-N 3.44Å; G350-V354 VanDerWaalsContact O-N 3.08Å |
| 351 | L | 97.5 | Very high | 97.7 | Very high | 111 Ų | 111 | 35.2 Ų | 35.2 | 58% | 0.581 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -64.3 | -39.5 | 176.9 | -67.7 | 174.6 | 0 | 0 | 0 | 112.1 | T347 V348 G353 V354 V355 | T347-L351 HydrophobicContact CG2-CD1 4.48Å; T347-L351 WeakPolarHBondContact O-CG 3.25Å; T347-L351 PolarHBondContact O-N 3.22Å; V348-L351 PolarHBondContact O-N 3.32Å; L351-G353 PolarHBondContact O-N 3.4Å; L351-V354 PolarHBondContact O-N 2.85Å; L351-V355 PolarHBondContact O-N 2.6Å |
| 352 | T | 97.8 | Very high | 97.7 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 9% | 0.092 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.2 | -28.3 | 175.3 | 62.4 | 0 | 0 | 0 | 0 | 112 | V348 G349 G350 V355 L356 H374 | V348-T352 PolarHBondContact O-N 2.85Å; V348-T352 VanDerWaalsContact O-N 3.14Å; G349-T352 PolarHBondContact O-N 3.43Å; G349-T352 PolarHBondContact O-OG1 3.46Å; G350-T352 PolarHBondContact O-N 3.34Å; T352-V355 WeakPolarHBondContact O-CB 3.48Å; T352-V355 PolarHBondContact O-N 3.09Å; T352-L356 PolarHBondContact O-N 3.01Å; T352-L356 VanDerWaalsContact O-N 3.14Å; T352-H374 PolarHBondContact OG1-ND1 2.63Å |
| 353 | G | 97.3 | Very high | 97.6 | Very high | 18 Ų | 18 | 39.4 Ų | 39.4 | 19% | 0.186 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.3 | -37.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | G349 G350 L351 V355 L356 A357 H374 | G349-G353 PolarHBondContact O-N 3.29Å; G350-G353 WeakPolarHBondContact O-CA 3.18Å; G350-G353 PolarHBondContact O-N 2.91Å; G350-G353 VanDerWaalsContact O-N 3.16Å; L351-G353 PolarHBondContact O-N 3.4Å; G353-V355 VanDerWaalsContact C-N 3.25Å; G353-V355 PolarHBondContact O-N 3.26Å; G353-L356 PolarHBondContact O-N 3.2Å; G353-A357 WeakPolarHBondContact O-CB 3.3Å; G353-A357 PolarHBondContact O-N 3.49Å; G353-H374 WeakPolarHBondContact CA-CE1 3.42Å; G353-H374 WeakPolarHBondContact CA-ND1 3.32Å; G353-H374 PolarHBondContact N-CE1 2.95Å; G353-H374 VanDerWaalsContact N-CE1 3.33Å; G353-H374 PolarHBondContact N-ND1 3.31Å; G353-H374 VanDerWaalsContact N-ND1 3.17Å |
| 354 | V | 98.1 | Very high | 97.5 | Very high | 54 Ų | 54 | 45 Ų | 45 | 33% | 0.327 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.5 | -34 | 173.3 | 176.8 | 0 | 0 | 0 | 0 | 111.3 | M308 A311 G350 L351 | M308-V354 HydrophobicContact CG-CG1 4.47Å; A311-V354 HydrophobicContact CB-CG2 3.85Å; G350-V354 PolarHBondContact O-N 3.44Å; G350-V354 VanDerWaalsContact O-N 3.08Å; L351-V354 PolarHBondContact O-N 2.85Å |
| 355 | V | 98.3 | Very high | 97.5 | Very high | 54 Ų | 54 | 39.3 Ų | 39.3 | 33% | 0.327 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.2 | -49.2 | 173.6 | 179 | 0 | 0 | 0 | 0 | 110.8 | L351 T352 G353 A357 N358 V361 L365 Y370 | L351-V355 PolarHBondContact O-N 2.6Å; T352-V355 WeakPolarHBondContact O-CB 3.48Å; T352-V355 PolarHBondContact O-N 3.09Å; G353-V355 VanDerWaalsContact C-N 3.25Å; G353-V355 PolarHBondContact O-N 3.26Å; V355-A357 VanDerWaalsContact C-N 3.27Å; V355-A357 PolarHBondContact O-N 2.97Å; V355-N358 WeakPolarHBondContact O-CB 3.41Å; V355-N358 PolarHBondContact O-N 3.48Å; V355-N358 VanDerWaalsContact O-N 3.09Å; V355-V361 HydrophobicContact CG1-CG1 3.88Å; V355-L365 HydrophobicContact CG1-CD1 4.06Å; V355-Y370 HydrophobicContact CB-CE1 4.5Å; V355-Y370 HydrophobicContact CG1-CE1 4.4Å |
| 356 | L | 98.1 | Very high | 97.5 | Very high | 18 Ų | 18 | 40.8 Ų | 40.8 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.3 | -24 | 179 | -70.1 | 174.2 | 0 | 0 | 0 | 113.5 | T352 G353 N358 D362 L365 Y370 V371 H374 | T352-L356 PolarHBondContact O-N 3.01Å; T352-L356 VanDerWaalsContact O-N 3.14Å; G353-L356 PolarHBondContact O-N 3.2Å; L356-N358 PolarHBondContact O-N 3.18Å; L356-D362 WeakPolarHBondContact CD2-OD1 3.49Å; L356-L365 HydrophobicContact CD2-CB 3.97Å; L356-L365 HydrophobicContact CD2-CD1 4.29Å; L356-Y370 HydrophobicContact CD1-CD1 4Å; L356-Y370 HydrophobicContact CD1-CE1 4.2Å; L356-Y370 HydrophobicContact CD2-CD1 3.67Å; L356-Y370 HydrophobicContact CD2-CE1 4.03Å; L356-Y370 HydrophobicContact CG-CD1 3.85Å; L356-Y370 HydrophobicContact CG-CE1 3.82Å; L356-V371 HydrophobicContact CD1-CB 4.46Å; L356-V371 HydrophobicContact CD1-CG1 4.47Å; L356-V371 HydrophobicContact CD1-CG2 4.15Å; L356-V371 HydrophobicContact CD2-CG2 3.96Å; L356-H374 HydrophobicContact CD1-CB 3.64Å |
| 357 | A | 98.1 | Very high | 97.4 | Very high | 3 Ų | 3 | 42.5 Ų | 42.5 | 3% | 0.025 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -20.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T304 T307 M308 G353 V355 S359 | T304-A357 VanDerWaalsContact CA-O 3.3Å; T304-A357 WeakPolarHBondContact CA-O 3.46Å; T304-A357 WeakPolarHBondContact CG2-O 3.26Å; T304-A357 PolarHBondContact OG1-O 3.24Å; T307-A357 HydrophobicContact CG2-CB 3.53Å; M308-A357 HydrophobicContact CE-CB 4.33Å; M308-A357 HydrophobicContact CG-CB 3.81Å; G353-A357 WeakPolarHBondContact O-CB 3.3Å; G353-A357 PolarHBondContact O-N 3.49Å; V355-A357 VanDerWaalsContact C-N 3.27Å; V355-A357 PolarHBondContact O-N 2.97Å; A357-S359 PolarHBondContact O-N 3.4Å |
| 358 | N | 98 | Very high | 97.4 | Very high | 51 Ų | 51 | 40.6 Ų | 40.6 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | trans | -81.4 | 105.7 | 178 | -170.9 | -45.6 | 0 | 0 | 0 | 111 | M308 V355 L356 S360 V361 D362 | M308-N358 HydrophobicContact CE-CB 3.55Å; V355-N358 WeakPolarHBondContact O-CB 3.41Å; V355-N358 PolarHBondContact O-N 3.48Å; V355-N358 VanDerWaalsContact O-N 3.09Å; L356-N358 PolarHBondContact O-N 3.18Å; N358-S360 PolarHBondContact O-N 2.9Å; N358-S360 VanDerWaalsContact O-N 3.1Å; N358-S360 WeakPolarHBondContact OD1-CB 3.47Å; N358-S360 PolarHBondContact OD1-N 3.21Å; N358-V361 HydrophobicContact CB-CB 4.2Å; N358-V361 HydrophobicContact CB-CG2 4.1Å; N358-V361 PolarHBondContact O-N 3.11Å; N358-V361 PolarHBondContact OD1-N 2.71Å; N358-D362 WeakPolarHBondContact O-CB 3.5Å; N358-D362 PolarHBondContact O-N 3.29Å | ||
| 359 | S | 97.5 | Very high | 97.4 | Very high | 11 Ų | 11 | 39.3 Ų | 39.3 | 8% | 0.077 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.4 | -29.6 | 179 | 57 | 0 | 0 | 0 | 0 | 115.2 | T304 A357 I363 | T304-S359 WeakPolarHBondContact OG1-CB 3.28Å; T304-S359 PolarHBondContact OG1-N 3.39Å; T304-S359 PolarHBondContact OG1-OG 2.87Å; A357-S359 PolarHBondContact O-N 3.4Å; S359-I363 WeakPolarHBondContact O-CD1 3.37Å; S359-I363 VanDerWaalsContact O-CG1 3.26Å; S359-I363 WeakPolarHBondContact O-CG1 3.28Å; S359-I363 PolarHBondContact O-N 3.07Å |
| 360 | S | 96.6 | Very high | 97.5 | Very high | 89 Ų | 89 | 40.2 Ų | 40.2 | 62% | 0.622 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -73.3 | -35.7 | 178.7 | -59.1 | 0 | 0 | 0 | 0 | 112.2 | N358 | N358-S360 PolarHBondContact O-N 2.9Å; N358-S360 VanDerWaalsContact O-N 3.1Å; N358-S360 WeakPolarHBondContact OD1-CB 3.47Å; N358-S360 PolarHBondContact OD1-N 3.21Å |
| 361 | V | 97.4 | Very high | 97.6 | Very high | 53 Ų | 53 | 40 Ų | 40 | 32% | 0.321 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -80.2 | -39.1 | 176.2 | -177.3 | 0 | 0 | 0 | 0 | 110.2 | V355 N358 I363 I364 L365 | V355-V361 HydrophobicContact CG1-CG1 3.88Å; N358-V361 HydrophobicContact CB-CB 4.2Å; N358-V361 HydrophobicContact CB-CG2 4.1Å; N358-V361 PolarHBondContact O-N 3.11Å; N358-V361 PolarHBondContact OD1-N 2.71Å; V361-I363 PolarHBondContact O-N 3.4Å; V361-I364 WeakPolarHBondContact O-CG1 3.43Å; V361-I364 PolarHBondContact O-N 3.27Å; V361-L365 HydrophobicContact CG1-CD1 3.67Å; V361-L365 HydrophobicContact CG1-CG 4.16Å; V361-L365 PolarHBondContact O-N 3.48Å |
| 362 | D | 97.5 | Very high | 97.6 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.032 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.7 | -30.9 | -178.9 | -168 | 60.4 | 0 | 0 | 0 | 111.7 | F291 L356 N358 I364 L365 H366 | F291-D362 HydrophobicContact CD2-CB 3.82Å; F291-D362 WeakPolarHBondContact CD2-OD2 3.35Å; F291-D362 HydrophobicContact CE2-CB 4.5Å; L356-D362 WeakPolarHBondContact CD2-OD1 3.49Å; N358-D362 WeakPolarHBondContact O-CB 3.5Å; N358-D362 PolarHBondContact O-N 3.29Å; D362-I364 PolarHBondContact O-N 3.07Å; D362-L365 CarbonylContact O-C 3.59Å; D362-L365 PolarHBondContact O-N 3.09Å; D362-H366 WeakPolarHBondContact O-CA 3.28Å; D362-H366 WeakPolarHBondContact O-CB 3.45Å; D362-H366 PolarHBondContact O-N 3.15Å; D362-H366 IonicContact OD1-ND1 2.91Å; D362-H366 IonicContact OD2-CE1 3.77Å; D362-H366 IonicContact OD2-CG 3.54Å; D362-H366 IonicContact OD2-ND1 3.1Å; D362-H366 PolarHBondContact OD2-ND1 2.86Å |
| 363 | I | 95.5 | Very high | 97.6 | Very high | 85 Ų | 85 | 35.4 Ų | 35.4 | 44% | 0.436 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -48.3 | -36.4 | 175.1 | -72.6 | 158.7 | 0 | 0 | 0 | 113.5 | S359 V361 | S359-I363 WeakPolarHBondContact O-CD1 3.37Å; S359-I363 VanDerWaalsContact O-CG1 3.26Å; S359-I363 WeakPolarHBondContact O-CG1 3.28Å; S359-I363 PolarHBondContact O-N 3.07Å; V361-I363 PolarHBondContact O-N 3.4Å |
| 364 | I | 96.3 | Very high | 97.6 | Very high | 126 Ų | 126 | 36.3 Ų | 36.3 | 65% | 0.646 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -95.7 | -21 | 178.6 | 60.9 | 164.7 | 0 | 0 | 0 | 113.7 | V361 D362 | V361-I364 WeakPolarHBondContact O-CG1 3.43Å; V361-I364 PolarHBondContact O-N 3.27Å; D362-I364 PolarHBondContact O-N 3.07Å |
| 365 | L | 98.1 | Very high | 97.6 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -96.6 | -14.4 | -179.8 | -59.9 | -174.4 | 0 | 0 | 0 | 113 | V355 L356 V361 D362 D367 T368 Y370 L431 | V355-L365 HydrophobicContact CG1-CD1 4.06Å; L356-L365 HydrophobicContact CD2-CB 3.97Å; L356-L365 HydrophobicContact CD2-CD1 4.29Å; V361-L365 HydrophobicContact CG1-CD1 3.67Å; V361-L365 HydrophobicContact CG1-CG 4.16Å; V361-L365 PolarHBondContact O-N 3.48Å; D362-L365 CarbonylContact O-C 3.59Å; D362-L365 PolarHBondContact O-N 3.09Å; L365-D367 PolarHBondContact O-N 3.38Å; L365-T368 WeakPolarHBondContact O-CB 3.32Å; L365-T368 WeakPolarHBondContact O-CG2 3.05Å; L365-T368 PolarHBondContact O-N 3.25Å; L365-T368 VanDerWaalsContact O-N 3.09Å; L365-T368 PolarHBondContact O-OG1 3.01Å; L365-Y370 HydrophobicContact CD1-CD1 3.95Å; L365-Y370 HydrophobicContact CD1-CD2 4.18Å; L365-Y370 HydrophobicContact CD1-CE1 4.08Å; L365-Y370 HydrophobicContact CD1-CE2 4.31Å; L365-Y370 HydrophobicContact CD1-CG 3.98Å; L365-Y370 HydrophobicContact CD2-CD2 4.48Å; L365-Y370 HydrophobicContact CD2-CG 4.43Å; L365-L431 HydrophobicContact CD2-CD2 4.04Å |
| 366 | H | 97.7 | Very high | 97.6 | Very high | 33 Ų | 33 | 35.1 Ų | 35.1 | 15% | 0.153 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 136.2 | -177.1 | -160.9 | 89.9 | 0 | 0 | 0 | 109.6 | H289 T292 D362 T368 | H289-H366 PolarHBondContact O-CE1 3.2Å; T292-H366 HydrophobicContact CG2-CB 3.52Å; T292-H366 PolarHBondContact OG1-CD2 3.41Å; T292-H366 PolarHBondContact OG1-NE2 3.22Å; D362-H366 WeakPolarHBondContact O-CA 3.28Å; D362-H366 WeakPolarHBondContact O-CB 3.45Å; D362-H366 PolarHBondContact O-N 3.15Å; D362-H366 IonicContact OD1-ND1 2.91Å; D362-H366 IonicContact OD2-CE1 3.77Å; D362-H366 IonicContact OD2-CG 3.54Å; D362-H366 IonicContact OD2-ND1 3.1Å; D362-H366 PolarHBondContact OD2-ND1 2.86Å; H366-T368 PolarHBondContact O-N 3.17Å |
| 367 | D | 96.1 | Very high | 97.5 | Very high | 48 Ų | 48 | 34.3 Ų | 34.3 | 26% | 0.257 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 24.7 | -177.7 | -82.6 | -18.7 | 0 | 0 | 0 | 114.9 | L365 R436 R437 | L365-D367 PolarHBondContact O-N 3.38Å; D367-R436 HydrophobicContact CB-CG 4.46Å; D367-R436 VanDerWaalsContact O-CG 3.32Å; D367-R436 WeakPolarHBondContact O-CG 3.38Å; D367-R436 PolarHBondContact O-N 3.45Å; D367-R436 IonicContact OD1-CZ 3.65Å; D367-R436 IonicContact OD1-NE 2.76Å; D367-R436 PolarHBondContact OD1-NE 3.39Å; D367-R436 IonicContact OD1-NH2 3.97Å; D367-R436 PolarHBondContact OD1-NH2 3.46Å; D367-R437 IonicContact OD1-CZ 2.91Å; D367-R437 IonicContact OD1-NH1 3.75Å; D367-R437 PolarHBondContact OD1-NH1 2.96Å; D367-R437 IonicContact OD1-NH2 3.43Å; D367-R437 IonicContact OD2-CZ 2.65Å; D367-R437 IonicContact OD2-NH1 2.77Å; D367-R437 PolarHBondContact OD2-NH1 2.83Å |
| 368 | T | 98.2 | Very high | 97.5 | Very high | 8 Ų | 8 | 35.3 Ų | 35.3 | 5% | 0.049 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -99.8 | 172.9 | 169.4 | 73.8 | 0 | 0 | 0 | 0 | 112.2 | L365 H366 Y370 V371 M434 | L365-T368 WeakPolarHBondContact O-CB 3.32Å; L365-T368 WeakPolarHBondContact O-CG2 3.05Å; L365-T368 PolarHBondContact O-N 3.25Å; L365-T368 VanDerWaalsContact O-N 3.09Å; L365-T368 PolarHBondContact O-OG1 3.01Å; H366-T368 PolarHBondContact O-N 3.17Å; T368-Y370 PolarHBondContact O-N 3.47Å; T368-Y370 VanDerWaalsContact O-N 3.12Å; T368-Y370 WeakPolarHBondContact OG1-CB 3.35Å; T368-Y370 PolarHBondContact OG1-N 2.95Å; T368-Y370 VanDerWaalsContact OG1-N 3.17Å; T368-V371 PolarHBondContact O-N 3.09Å; T368-V371 VanDerWaalsContact O-N 3.16Å; T368-M434 CarbonylContact C-O 3.48Å; T368-M434 VanDerWaalsContact CA-O 3.27Å; T368-M434 WeakPolarHBondContact CA-O 3.4Å; T368-M434 WeakPolarHBondContact CB-O 3.28Å |
| 369 | Y | 98.1 | Very high | 97.2 | Very high | 11 Ų | 11 | 33.5 Ų | 33.5 | 4% | 0.043 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.8 | -13.4 | 170.5 | -90.3 | -99.4 | 0 | 0 | 0 | 114.3 | L39 V371 V372 A373 Q426 L429 M434 P435 R436 | L39-Y369 WeakPolarHBondContact CD1-OH 3.33Å; Y369-V371 VanDerWaalsContact C-N 3.28Å; Y369-V371 PolarHBondContact O-N 3.33Å; Y369-V372 HydrophobicContact CD1-CB 4.27Å; Y369-V372 HydrophobicContact CD1-CG1 4.49Å; Y369-V372 HydrophobicContact CD1-CG2 4.36Å; Y369-V372 WeakPolarHBondContact O-CB 3.26Å; Y369-V372 PolarHBondContact O-N 2.67Å; Y369-A373 WeakPolarHBondContact O-CB 3.11Å; Y369-A373 PolarHBondContact O-N 3.09Å; Y369-Q426 CarbonylContact C-O 3.57Å; Y369-Q426 HydrophobicContact CD1-CB 4.22Å; Y369-Q426 HydrophobicContact CD1-CG 4.07Å; Y369-L429 HydrophobicContact CD1-CD1 4.42Å; Y369-L429 HydrophobicContact CG-CB 4.34Å; Y369-M434 HydrophobicContact CD2-CB 4.16Å; Y369-M434 HydrophobicContact CD2-CE 3.98Å; Y369-M434 HydrophobicContact CD2-CG 3.72Å; Y369-M434 HydrophobicContact CD2-SD 3.64Å; Y369-M434 HydrophobicContact CE2-CE 3.41Å; Y369-M434 VanDerWaalsContact CE2-CE 3.41Å; Y369-M434 HydrophobicContact CE2-CG 4.02Å; Y369-M434 HydrophobicContact CE2-SD 3.75Å; Y369-M434 HydrophobicContact CG-SD 4.13Å; Y369-M434 PolarHBondContact N-O 2.9Å; Y369-P435 VanDerWaalsContact CE2-O 3.27Å; Y369-P435 WeakPolarHBondContact CE2-O 3.33Å; Y369-R436 HydrophobicContact CD2-CB 4.48Å |
| 370 | Y | 98.6 | Very high | 96.5 | Very high | 19 Ų | 19 | 34 Ų | 34 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.3 | -41.5 | 174.2 | -167.3 | -81.8 | 0 | 0 | 0 | 110.1 | V355 L356 L365 T368 V372 A373 H374 H427 G430 L431 | V355-Y370 HydrophobicContact CB-CE1 4.5Å; V355-Y370 HydrophobicContact CG1-CE1 4.4Å; L356-Y370 HydrophobicContact CD1-CD1 4Å; L356-Y370 HydrophobicContact CD1-CE1 4.2Å; L356-Y370 HydrophobicContact CD2-CD1 3.67Å; L356-Y370 HydrophobicContact CD2-CE1 4.03Å; L356-Y370 HydrophobicContact CG-CD1 3.85Å; L356-Y370 HydrophobicContact CG-CE1 3.82Å; L365-Y370 HydrophobicContact CD1-CD1 3.95Å; L365-Y370 HydrophobicContact CD1-CD2 4.18Å; L365-Y370 HydrophobicContact CD1-CE1 4.08Å; L365-Y370 HydrophobicContact CD1-CE2 4.31Å; L365-Y370 HydrophobicContact CD1-CG 3.98Å; L365-Y370 HydrophobicContact CD2-CD2 4.48Å; L365-Y370 HydrophobicContact CD2-CG 4.43Å; T368-Y370 PolarHBondContact O-N 3.47Å; T368-Y370 VanDerWaalsContact O-N 3.12Å; T368-Y370 WeakPolarHBondContact OG1-CB 3.35Å; T368-Y370 PolarHBondContact OG1-N 2.95Å; T368-Y370 VanDerWaalsContact OG1-N 3.17Å; Y370-V372 VanDerWaalsContact C-N 3.35Å; Y370-A373 PolarHBondContact O-N 3.4Å; Y370-H374 WeakPolarHBondContact O-CB 3.18Å; Y370-H374 PolarHBondContact O-N 2.93Å; Y370-H427 HydrophobicContact CD2-CB 4.29Å; Y370-H427 AromaticContact CD2-CD2 4Å; Y370-H427 HydrophobicContact CE2-CB 4.37Å; Y370-H427 AromaticContact CE2-CD2 3.8Å; Y370-G430 VanDerWaalsContact N-CA 3.26Å; Y370-L431 HydrophobicContact CD2-CD2 4.01Å; Y370-L431 HydrophobicContact CD2-CG 3.93Å; Y370-L431 HydrophobicContact CE2-CD2 3.98Å; Y370-L431 HydrophobicContact CE2-CG 4.11Å |
| 371 | V | 98.1 | Very high | 96.1 | Very high | 23 Ų | 23 | 29.7 Ų | 29.7 | 14% | 0.139 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.5 | -37.9 | 176.8 | -173.4 | 0 | 0 | 0 | 0 | 110.8 | L356 T368 Y369 A373 F375 | L356-V371 HydrophobicContact CD1-CB 4.46Å; L356-V371 HydrophobicContact CD1-CG1 4.47Å; L356-V371 HydrophobicContact CD1-CG2 4.15Å; L356-V371 HydrophobicContact CD2-CG2 3.96Å; T368-V371 PolarHBondContact O-N 3.09Å; T368-V371 VanDerWaalsContact O-N 3.16Å; Y369-V371 VanDerWaalsContact C-N 3.28Å; Y369-V371 PolarHBondContact O-N 3.33Å; V371-A373 VanDerWaalsContact C-N 3.35Å; V371-F375 WeakPolarHBondContact O-CB 3.4Å; V371-F375 PolarHBondContact O-N 3.03Å |
| 372 | V | 97.9 | Very high | 95.9 | Very high | 29 Ų | 29 | 27.2 Ų | 27.2 | 18% | 0.176 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.9 | -46.6 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | Y369 Y370 F375 H376 R436 | Y369-V372 HydrophobicContact CD1-CB 4.27Å; Y369-V372 HydrophobicContact CD1-CG1 4.49Å; Y369-V372 HydrophobicContact CD1-CG2 4.36Å; Y369-V372 WeakPolarHBondContact O-CB 3.26Å; Y369-V372 PolarHBondContact O-N 2.67Å; Y370-V372 VanDerWaalsContact C-N 3.35Å; V372-F375 PolarHBondContact O-N 3.37Å; V372-H376 PolarHBondContact O-N 3.21Å; V372-H376 VanDerWaalsContact O-N 3.11Å; V372-H376 PolarHBondContact O-ND1 3.36Å; V372-R436 HydrophobicContact CG2-CB 3.77Å; V372-R436 HydrophobicContact CG2-CG 4.5Å |
| 373 | A | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.3 | -49.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y369 Y370 V371 F375 H376 Y377 F423 Q426 H427 | Y369-A373 WeakPolarHBondContact O-CB 3.11Å; Y369-A373 PolarHBondContact O-N 3.09Å; Y370-A373 PolarHBondContact O-N 3.4Å; V371-A373 VanDerWaalsContact C-N 3.35Å; A373-F375 VanDerWaalsContact C-N 3.33Å; A373-F375 PolarHBondContact O-N 3.47Å; A373-H376 PolarHBondContact O-N 3.06Å; A373-Y377 WeakPolarHBondContact O-CD2 3.37Å; A373-Y377 PolarHBondContact O-N 2.83Å; A373-F423 WeakPolarHBondContact CB-O 3.5Å; A373-Q426 HydrophobicContact CB-CB 3.7Å; A373-H427 HydrophobicContact CB-CB 4.45Å; A373-H427 WeakPolarHBondContact CB-CE1 3.23Å; A373-H427 WeakPolarHBondContact CB-ND1 3.26Å; A373-H427 WeakPolarHBondContact CB-NE2 3.48Å |
| 374 | H | 98.1 | Very high | 96 | Very high | 38 Ų | 38 | 24 Ų | 24 | 18% | 0.176 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -53 | -50.5 | 175.2 | 168 | 62.5 | 0 | 0 | 0 | 111.7 | G349 T352 G353 L356 Y370 H376 Y377 V378 | G349-H374 PolarHBondContact O-CE1 3.49Å; G349-H374 VanDerWaalsContact O-CE1 3.24Å; G349-H374 PolarHBondContact O-ND1 3.42Å; T352-H374 PolarHBondContact OG1-ND1 2.63Å; G353-H374 WeakPolarHBondContact CA-CE1 3.42Å; G353-H374 WeakPolarHBondContact CA-ND1 3.32Å; G353-H374 PolarHBondContact N-CE1 2.95Å; G353-H374 VanDerWaalsContact N-CE1 3.33Å; G353-H374 PolarHBondContact N-ND1 3.31Å; G353-H374 VanDerWaalsContact N-ND1 3.17Å; L356-H374 HydrophobicContact CD1-CB 3.64Å; Y370-H374 WeakPolarHBondContact O-CB 3.18Å; Y370-H374 PolarHBondContact O-N 2.93Å; H374-H376 VanDerWaalsContact C-N 3.34Å; H374-H376 PolarHBondContact O-N 2.99Å; H374-Y377 PolarHBondContact O-N 2.94Å; H374-V378 PolarHBondContact O-N 3.22Å; H374-V378 VanDerWaalsContact O-N 3.12Å |
| 375 | F | 97.3 | Very high | 96.1 | Very high | 50 Ų | 50 | 18 Ų | 18 | 22% | 0.219 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.5 | -40.8 | -177.3 | -164.6 | -112 | 0 | 0 | 0 | 112.3 | I64 W124 V241 V371 V372 A373 V378 L379 | I64-F375 HydrophobicContact CD1-CE1 4.35Å; I64-F375 HydrophobicContact CD1-CZ 4.14Å; W124-F375 HydrophobicContact CZ2-CZ 4.46Å; V241-F375 HydrophobicContact CG1-CE2 3.86Å; V371-F375 WeakPolarHBondContact O-CB 3.4Å; V371-F375 PolarHBondContact O-N 3.03Å; V372-F375 PolarHBondContact O-N 3.37Å; A373-F375 VanDerWaalsContact C-N 3.33Å; A373-F375 PolarHBondContact O-N 3.47Å; F375-V378 PolarHBondContact O-N 3.39Å; F375-L379 HydrophobicContact CD1-CD1 3.92Å; F375-L379 HydrophobicContact CD1-CG 4.48Å; F375-L379 HydrophobicContact CE1-CD1 3.27Å; F375-L379 HydrophobicContact CE1-CG 4.23Å; F375-L379 HydrophobicContact CE2-CD1 3.96Å; F375-L379 HydrophobicContact CE2-CG 4.41Å; F375-L379 HydrophobicContact CZ-CD1 3.29Å; F375-L379 HydrophobicContact CZ-CG 4.2Å; F375-L379 WeakPolarHBondContact O-CB 3.47Å; F375-L379 PolarHBondContact O-N 2.65Å |
| 376 | H | 98 | Very high | 96.1 | Very high | 33 Ų | 33 | 17.9 Ų | 17.9 | 15% | 0.153 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -76.3 | -25.9 | 178.3 | -70.6 | 86.6 | 0 | 0 | 0 | 113.5 | V372 A373 H374 V378 S380 M381 F423 | V372-H376 PolarHBondContact O-N 3.21Å; V372-H376 VanDerWaalsContact O-N 3.11Å; V372-H376 PolarHBondContact O-ND1 3.36Å; A373-H376 PolarHBondContact O-N 3.06Å; H374-H376 VanDerWaalsContact C-N 3.34Å; H374-H376 PolarHBondContact O-N 2.99Å; H376-V378 VanDerWaalsContact C-N 3.34Å; H376-S380 VanDerWaalsContact O-CA 3.29Å; H376-S380 WeakPolarHBondContact O-CA 3.21Å; H376-S380 WeakPolarHBondContact O-CB 3.13Å; H376-S380 PolarHBondContact O-N 2.94Å; H376-S380 PolarHBondContact O-OG 3.23Å; H376-M381 PolarHBondContact O-N 3.48Å; H376-M381 VanDerWaalsContact O-N 3.13Å; H376-F423 HydrophobicContact CB-CB 4.33Å; H376-F423 HydrophobicContact CB-CD1 3.34Å; H376-F423 HydrophobicContact CB-CD2 3.94Å; H376-F423 HydrophobicContact CB-CE1 3.46Å; H376-F423 VanDerWaalsContact CB-CE1 3.46Å; H376-F423 HydrophobicContact CB-CE2 4.03Å; H376-F423 HydrophobicContact CB-CG 3.6Å; H376-F423 HydrophobicContact CB-CZ 3.8Å; H376-F423 AromaticContact CD2-CE1 3.19Å; H376-F423 WeakPolarHBondContact CD2-CE1 3.41Å; H376-F423 AromaticContact CD2-CZ 3.3Å; H376-F423 WeakPolarHBondContact CD2-CZ 3.33Å; H376-F423 AromaticContact CG-CD1 3.56Å; H376-F423 AromaticContact CG-CE1 3.21Å; H376-F423 AromaticContact CG-CZ 3.68Å; H376-F423 AromaticContact ND1-CE1 3.83Å; H376-F423 AromaticContact NE2-CE1 3.81Å |
| 377 | Y | 96.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.6 | -41 | 167.1 | -94.1 | -101.3 | 0 | 0 | 0 | 111.8 | L345 V348 A373 H374 M381 G382 N420 F423 F424 H427 | L345-Y377 HydrophobicContact CD2-CE1 4.06Å; V348-Y377 HydrophobicContact CB-CD1 4.14Å; V348-Y377 HydrophobicContact CB-CE1 4.16Å; V348-Y377 HydrophobicContact CG1-CD1 3.95Å; V348-Y377 HydrophobicContact CG1-CE1 3.77Å; A373-Y377 WeakPolarHBondContact O-CD2 3.37Å; A373-Y377 PolarHBondContact O-N 2.83Å; H374-Y377 PolarHBondContact O-N 2.94Å; Y377-M381 HydrophobicContact CD1-CE 3.91Å; Y377-M381 HydrophobicContact CD1-SD 3.57Å; Y377-M381 VanDerWaalsContact CD1-SD 3.57Å; Y377-M381 HydrophobicContact CD2-CE 3.31Å; Y377-M381 HydrophobicContact CD2-SD 4.1Å; Y377-M381 HydrophobicContact CE1-CE 3.96Å; Y377-M381 HydrophobicContact CE1-SD 3.41Å; Y377-M381 WeakPolarHBondContact CE1-SD 3.47Å; Y377-M381 HydrophobicContact CE2-CE 3.4Å; Y377-M381 VanDerWaalsContact CE2-CE 3.4Å; Y377-M381 HydrophobicContact CE2-SD 3.99Å; Y377-M381 HydrophobicContact CG-CE 3.57Å; Y377-M381 HydrophobicContact CG-SD 3.89Å; Y377-M381 CarbonylContact O-C 3.49Å; Y377-M381 WeakPolarHBondContact O-CB 3.4Å; Y377-M381 PolarHBondContact O-N 2.99Å; Y377-G382 PolarHBondContact O-N 3.41Å; Y377-N420 PolarHBondContact OH-OD1 3.32Å; Y377-F423 HydrophobicContact CD2-CB 4.14Å; Y377-F423 HydrophobicContact CE2-CB 3.91Å; Y377-F424 HydrophobicContact CE2-CB 4.45Å; Y377-F424 AromaticContact CZ-CD2 4Å; Y377-F424 VanDerWaalsContact OH-CB 3.32Å; Y377-F424 WeakPolarHBondContact OH-CB 3.42Å; Y377-F424 VanDerWaalsContact OH-CD2 3.29Å; Y377-F424 WeakPolarHBondContact OH-CD2 3.3Å; Y377-H427 AromaticContact CD2-CE1 3.59Å; Y377-H427 AromaticContact CE2-CE1 3.61Å |
| 378 | V | 96.6 | Very high | 96.3 | Very high | 23 Ų | 23 | 15.4 Ų | 15.4 | 14% | 0.139 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -76 | -43 | 178.8 | 176.8 | 0 | 0 | 0 | 0 | 112.1 | F346 H374 F375 H376 G382 A383 | F346-V378 HydrophobicContact CE2-CG1 4.13Å; H374-V378 PolarHBondContact O-N 3.22Å; H374-V378 VanDerWaalsContact O-N 3.12Å; F375-V378 PolarHBondContact O-N 3.39Å; H376-V378 VanDerWaalsContact C-N 3.34Å; V378-G382 WeakPolarHBondContact O-CA 3.36Å; V378-G382 PolarHBondContact O-N 3.22Å; V378-A383 PolarHBondContact O-N 3.36Å; V378-A383 VanDerWaalsContact O-N 3.13Å |
| 379 | L | 92.1 | Very high | 96.3 | Very high | 13 Ų | 13 | 15 Ų | 15 | 7% | 0.068 | 8% | 0.078 | C | C | . | . | I | π-helix | trans | -88.4 | -46.9 | -177.4 | -69.4 | -167.2 | 0 | 0 | 0 | 114.3 | I64 L244 F375 A383 V384 | I64-L379 HydrophobicContact CG1-CD1 4.44Å; L244-L379 HydrophobicContact CB-CD2 3.87Å; L244-L379 HydrophobicContact CD1-CD1 3.98Å; L244-L379 HydrophobicContact CD1-CD2 3.62Å; L244-L379 HydrophobicContact CD1-CG 4.49Å; L244-L379 HydrophobicContact CG-CD2 4.4Å; F375-L379 HydrophobicContact CD1-CD1 3.92Å; F375-L379 HydrophobicContact CD1-CG 4.48Å; F375-L379 HydrophobicContact CE1-CD1 3.27Å; F375-L379 HydrophobicContact CE1-CG 4.23Å; F375-L379 HydrophobicContact CE2-CD1 3.96Å; F375-L379 HydrophobicContact CE2-CG 4.41Å; F375-L379 HydrophobicContact CZ-CD1 3.29Å; F375-L379 HydrophobicContact CZ-CG 4.2Å; F375-L379 WeakPolarHBondContact O-CB 3.47Å; F375-L379 PolarHBondContact O-N 2.65Å; L379-A383 HydrophobicContact CD2-CB 4.44Å; L379-A383 CarbonylContact O-C 3.55Å; L379-A383 WeakPolarHBondContact O-CA 3.26Å; L379-A383 VanDerWaalsContact O-CB 3.28Å; L379-A383 WeakPolarHBondContact O-CB 3.21Å; L379-A383 PolarHBondContact O-N 3.47Å; L379-A383 VanDerWaalsContact O-N 3.08Å; L379-V384 PolarHBondContact O-N 2.85Å |
| 380 | S | 83 | Confident | 96.3 | Very high | 21 Ų | 21 | 14.5 Ų | 14.5 | 15% | 0.147 | 8% | 0.076 | C | C | . | . | I | π-helix | trans | -76.4 | -53.5 | 178.9 | -49.5 | 0 | 0 | 0 | 0 | 110.9 | H376 V384 F385 | H376-S380 VanDerWaalsContact O-CA 3.29Å; H376-S380 WeakPolarHBondContact O-CA 3.21Å; H376-S380 WeakPolarHBondContact O-CB 3.13Å; H376-S380 PolarHBondContact O-N 2.94Å; H376-S380 PolarHBondContact O-OG 3.23Å; S380-V384 VanDerWaalsContact O-CB 3.27Å; S380-V384 WeakPolarHBondContact O-CB 3.47Å; S380-V384 PolarHBondContact O-N 3.23Å; S380-F385 WeakPolarHBondContact O-CD2 3.36Å; S380-F385 PolarHBondContact O-N 3.43Å |
| 381 | M | 88.5 | Confident | 96.3 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.08 | C | C | . | . | I | π-helix | trans | -84.8 | -14.9 | -177.5 | -66 | 162.9 | -108.7 | 0 | 0 | 114.3 | L345 H376 Y377 F385 V419 F423 | L345-M381 HydrophobicContact CB-CB 3.58Å; L345-M381 HydrophobicContact CB-CG 4.18Å; L345-M381 HydrophobicContact CB-SD 4.07Å; L345-M381 HydrophobicContact CD1-CB 3.86Å; L345-M381 HydrophobicContact CD1-CG 3.67Å; L345-M381 HydrophobicContact CD1-SD 3.79Å; L345-M381 HydrophobicContact CD2-SD 4.11Å; L345-M381 HydrophobicContact CG-CB 4.33Å; L345-M381 HydrophobicContact CG-CG 4.46Å; L345-M381 HydrophobicContact CG-SD 4.2Å; H376-M381 PolarHBondContact O-N 3.48Å; H376-M381 VanDerWaalsContact O-N 3.13Å; Y377-M381 HydrophobicContact CD1-CE 3.91Å; Y377-M381 HydrophobicContact CD1-SD 3.57Å; Y377-M381 VanDerWaalsContact CD1-SD 3.57Å; Y377-M381 HydrophobicContact CD2-CE 3.31Å; Y377-M381 HydrophobicContact CD2-SD 4.1Å; Y377-M381 HydrophobicContact CE1-CE 3.96Å; Y377-M381 HydrophobicContact CE1-SD 3.41Å; Y377-M381 WeakPolarHBondContact CE1-SD 3.47Å; Y377-M381 HydrophobicContact CE2-CE 3.4Å; Y377-M381 VanDerWaalsContact CE2-CE 3.4Å; Y377-M381 HydrophobicContact CE2-SD 3.99Å; Y377-M381 HydrophobicContact CG-CE 3.57Å; Y377-M381 HydrophobicContact CG-SD 3.89Å; Y377-M381 CarbonylContact O-C 3.49Å; Y377-M381 WeakPolarHBondContact O-CB 3.4Å; Y377-M381 PolarHBondContact O-N 2.99Å; M381-F385 HydrophobicContact CG-CE2 4.25Å; M381-F385 VanDerWaalsContact O-CB 3.27Å; M381-F385 WeakPolarHBondContact O-CB 3.08Å; M381-F385 WeakPolarHBondContact O-CG 3.37Å; M381-V419 HydrophobicContact CE-CB 4.5Å; M381-V419 HydrophobicContact CG-CB 4.23Å; M381-V419 HydrophobicContact CG-CG2 3.67Å; M381-V419 HydrophobicContact SD-CG2 4.07Å; M381-F423 HydrophobicContact CE-CB 3.74Å; M381-F423 HydrophobicContact CE-CD2 3.67Å; M381-F423 HydrophobicContact CE-CG 4.09Å |
| 382 | G | 92.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | I | π-helix | trans | -91.3 | -80.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | F342 Y377 V378 V384 F385 A386 | F342-G382 WeakPolarHBondContact CD2-O 3.37Å; F342-G382 WeakPolarHBondContact CE2-O 3.46Å; Y377-G382 PolarHBondContact O-N 3.41Å; V378-G382 WeakPolarHBondContact O-CA 3.36Å; V378-G382 PolarHBondContact O-N 3.22Å; G382-V384 PolarHBondContact O-N 2.94Å; G382-F385 PolarHBondContact O-N 3.14Å; G382-A386 WeakPolarHBondContact O-CB 3.39Å; G382-A386 PolarHBondContact O-N 3.26Å |
| 383 | A | 96.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | I | π-helix | trans | -61.2 | -49.2 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V68 I245 V378 L379 F385 A386 I387 | V68-A383 HydrophobicContact CG1-CB 3.79Å; I245-A383 HydrophobicContact CD1-CB 4.05Å; V378-A383 PolarHBondContact O-N 3.36Å; V378-A383 VanDerWaalsContact O-N 3.13Å; L379-A383 HydrophobicContact CD2-CB 4.44Å; L379-A383 CarbonylContact O-C 3.55Å; L379-A383 WeakPolarHBondContact O-CA 3.26Å; L379-A383 VanDerWaalsContact O-CB 3.28Å; L379-A383 WeakPolarHBondContact O-CB 3.21Å; L379-A383 PolarHBondContact O-N 3.47Å; L379-A383 VanDerWaalsContact O-N 3.08Å; A383-F385 PolarHBondContact O-N 3.18Å; A383-A386 WeakPolarHBondContact O-CB 3.27Å; A383-A386 PolarHBondContact O-N 2.87Å; A383-I387 WeakPolarHBondContact O-CG1 3.12Å; A383-I387 PolarHBondContact O-N 3.01Å |
| 384 | V | 97.9 | Very high | 96.2 | Very high | 24 Ų | 24 | 14.2 Ų | 14.2 | 15% | 0.145 | 7% | 0.072 | C | C | . | . | I | π-helix | trans | -67 | -37.4 | -179.4 | -178.8 | 0 | 0 | 0 | 0 | 111.9 | M67 V68 L379 S380 G382 A386 I387 M388 | M67-V384 HydrophobicContact CE-CG1 4.23Å; M67-V384 HydrophobicContact CE-CG2 3.94Å; V68-V384 HydrophobicContact CG2-CG2 4.26Å; L379-V384 PolarHBondContact O-N 2.85Å; S380-V384 VanDerWaalsContact O-CB 3.27Å; S380-V384 WeakPolarHBondContact O-CB 3.47Å; S380-V384 PolarHBondContact O-N 3.23Å; G382-V384 PolarHBondContact O-N 2.94Å; V384-A386 VanDerWaalsContact C-N 3.32Å; V384-A386 PolarHBondContact O-N 2.69Å; V384-I387 WeakPolarHBondContact O-CB 3.18Å; V384-I387 PolarHBondContact O-N 2.56Å; V384-M388 HydrophobicContact CG1-CG 4.37Å; V384-M388 VanDerWaalsContact O-CG 3.29Å; V384-M388 WeakPolarHBondContact O-CG 3.32Å; V384-M388 PolarHBondContact O-N 2.94Å |
| 385 | F | 98.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 12.6 Ų | 12.6 | 0% | 0.004 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.2 | -38.8 | 173.1 | -88.1 | -131.1 | 0 | 0 | 0 | 112.2 | W338 F342 L345 S380 M381 G382 A383 M388 A389 F412 F416 V419 | W338-F385 HydrophobicContact CE3-CB 4.13Å; W338-F385 AromaticContact CE3-CD1 3.66Å; W338-F385 HydrophobicContact CE3-CD1 3.66Å; W338-F385 HydrophobicContact CE3-CD2 4.19Å; W338-F385 HydrophobicContact CE3-CE1 4.04Å; W338-F385 AromaticContact CE3-CG 3.74Å; W338-F385 HydrophobicContact CE3-CG 3.74Å; W338-F385 HydrophobicContact CE3-CZ 4.46Å; W338-F385 HydrophobicContact CZ3-CB 4.42Å; W338-F385 AromaticContact CZ3-CD1 3.86Å; W338-F385 HydrophobicContact CZ3-CD1 3.86Å; W338-F385 AromaticContact CZ3-CD2 3.69Å; W338-F385 HydrophobicContact CZ3-CD2 3.69Å; W338-F385 AromaticContact CZ3-CE1 3.95Å; W338-F385 HydrophobicContact CZ3-CE1 3.95Å; W338-F385 AromaticContact CZ3-CE2 3.77Å; W338-F385 HydrophobicContact CZ3-CE2 3.77Å; W338-F385 AromaticContact CZ3-CG 3.73Å; W338-F385 HydrophobicContact CZ3-CG 3.73Å; W338-F385 AromaticContact CZ3-CZ 3.9Å; W338-F385 HydrophobicContact CZ3-CZ 3.9Å; F342-F385 HydrophobicContact CB-CB 4.29Å; L345-F385 HydrophobicContact CD1-CD1 4.5Å; L345-F385 HydrophobicContact CD1-CE1 3.82Å; L345-F385 HydrophobicContact CD1-CZ 3.98Å; S380-F385 WeakPolarHBondContact O-CD2 3.36Å; S380-F385 PolarHBondContact O-N 3.43Å; M381-F385 HydrophobicContact CG-CE2 4.25Å; M381-F385 VanDerWaalsContact O-CB 3.27Å; M381-F385 WeakPolarHBondContact O-CB 3.08Å; M381-F385 WeakPolarHBondContact O-CG 3.37Å; G382-F385 PolarHBondContact O-N 3.14Å; A383-F385 PolarHBondContact O-N 3.18Å; F385-M388 PolarHBondContact O-N 3.39Å; F385-A389 WeakPolarHBondContact O-CB 3.21Å; F385-A389 PolarHBondContact O-N 3.48Å; F385-F412 HydrophobicContact CE1-CE2 4.23Å; F385-F416 HydrophobicContact CE1-CD2 4.2Å; F385-V419 HydrophobicContact CE2-CG1 4.47Å; F385-V419 HydrophobicContact CE2-CG2 3.94Å; F385-V419 HydrophobicContact CZ-CG2 3.91Å |
| 386 | A | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.4 | -39.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | M251 I252 F342 G382 A383 V384 M388 A389 G390 | M251-A386 HydrophobicContact CE-CB 4.2Å; I252-A386 HydrophobicContact CD1-CB 4.37Å; I252-A386 HydrophobicContact CG1-CB 4.16Å; F342-A386 HydrophobicContact CD2-CB 3.99Å; F342-A386 HydrophobicContact CE2-CB 4.02Å; G382-A386 WeakPolarHBondContact O-CB 3.39Å; G382-A386 PolarHBondContact O-N 3.26Å; A383-A386 WeakPolarHBondContact O-CB 3.27Å; A383-A386 PolarHBondContact O-N 2.87Å; V384-A386 VanDerWaalsContact C-N 3.32Å; V384-A386 PolarHBondContact O-N 2.69Å; A386-M388 VanDerWaalsContact C-N 3.35Å; A386-A389 PolarHBondContact O-N 3.36Å; A386-G390 PolarHBondContact O-N 3.02Å |
| 387 | I | 98.7 | Very high | 95.9 | Very high | 11 Ų | 11 | 10 Ų | 10 | 6% | 0.056 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -56.4 | -50.3 | 171.1 | -70.3 | 171.3 | 0 | 0 | 0 | 110.2 | V68 I71 M72 F76 A383 V384 G390 F391 | V68-I387 HydrophobicContact CG1-CD1 4.42Å; I71-I387 HydrophobicContact CB-CD1 4.07Å; I71-I387 HydrophobicContact CD1-CD1 4.5Å; I71-I387 HydrophobicContact CG2-CB 4.31Å; I71-I387 HydrophobicContact CG2-CD1 3.83Å; I71-I387 HydrophobicContact CG2-CG1 3.83Å; I71-I387 HydrophobicContact CG2-CG2 3.57Å; M72-I387 HydrophobicContact CG-CD1 3.92Å; M72-I387 HydrophobicContact CG-CG1 3.85Å; M72-I387 HydrophobicContact SD-CD1 4.01Å; M72-I387 HydrophobicContact SD-CG1 3.26Å; M72-I387 WeakPolarHBondContact SD-CG1 3.28Å; F76-I387 HydrophobicContact CE2-CG2 4.39Å; A383-I387 WeakPolarHBondContact O-CG1 3.12Å; A383-I387 PolarHBondContact O-N 3.01Å; V384-I387 WeakPolarHBondContact O-CB 3.18Å; V384-I387 PolarHBondContact O-N 2.56Å; I387-G390 PolarHBondContact O-N 3.42Å; I387-F391 VanDerWaalsContact O-CB 3.27Å; I387-F391 WeakPolarHBondContact O-CB 3.5Å; I387-F391 PolarHBondContact O-N 2.98Å |
| 388 | M | 98.4 | Very high | 95.9 | Very high | 19 Ų | 19 | 10.8 Ų | 10.8 | 9% | 0.094 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.1 | -44.2 | -178.5 | -68.2 | -51.1 | -54.7 | 0 | 0 | 111.8 | W338 V384 F385 A386 F391 I392 F466 | W338-M388 HydrophobicContact CD2-CB 3.76Å; W338-M388 HydrophobicContact CE3-CB 3.58Å; W338-M388 HydrophobicContact CE3-CG 4.26Å; W338-M388 HydrophobicContact CG-CB 4.46Å; W338-M388 HydrophobicContact CH2-CB 4Å; W338-M388 HydrophobicContact CH2-CG 3.92Å; W338-M388 HydrophobicContact CZ2-CB 4.17Å; W338-M388 HydrophobicContact CZ2-CG 4.4Å; W338-M388 HydrophobicContact CZ3-CB 3.69Å; W338-M388 HydrophobicContact CZ3-CG 3.83Å; V384-M388 HydrophobicContact CG1-CG 4.37Å; V384-M388 VanDerWaalsContact O-CG 3.29Å; V384-M388 WeakPolarHBondContact O-CG 3.32Å; V384-M388 PolarHBondContact O-N 2.94Å; F385-M388 PolarHBondContact O-N 3.39Å; A386-M388 VanDerWaalsContact C-N 3.35Å; M388-F391 PolarHBondContact O-N 2.93Å; M388-I392 HydrophobicContact CE-CD1 4.48Å; M388-I392 WeakPolarHBondContact O-CB 3.29Å; M388-I392 WeakPolarHBondContact O-CD1 3.41Å; M388-I392 VanDerWaalsContact O-CG1 3.27Å; M388-I392 WeakPolarHBondContact O-CG1 3.34Å; M388-I392 PolarHBondContact O-N 3.24Å; M388-F466 HydrophobicContact CE-CD1 3.64Å; M388-F466 HydrophobicContact CE-CD2 3.55Å; M388-F466 HydrophobicContact CE-CE1 3.4Å; M388-F466 HydrophobicContact CE-CE2 3.33Å; M388-F466 HydrophobicContact CE-CG 3.69Å; M388-F466 HydrophobicContact CE-CZ 3.23Å; M388-F466 HydrophobicContact SD-CD1 4.29Å; M388-F466 HydrophobicContact SD-CE1 3.96Å; M388-F466 HydrophobicContact SD-CZ 4.24Å |
| 389 | A | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.7 | -51.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | I252 I255 W338 F385 A386 H393 | I252-A389 HydrophobicContact CD1-CB 3.86Å; I255-A389 VanDerWaalsContact CD1-C 3.46Å; I255-A389 HydrophobicContact CD1-CB 3.57Å; I255-A389 WeakPolarHBondContact CD1-O 3.02Å; W338-A389 HydrophobicContact CB-CB 3.59Å; F385-A389 WeakPolarHBondContact O-CB 3.21Å; F385-A389 PolarHBondContact O-N 3.48Å; A386-A389 PolarHBondContact O-N 3.36Å; A389-H393 VanDerWaalsContact O-CB 3.22Å; A389-H393 WeakPolarHBondContact O-CB 3.46Å; A389-H393 PolarHBondContact O-N 3.27Å |
| 390 | G | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.7 | -45.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A386 I387 I392 H393 W394 | A386-G390 PolarHBondContact O-N 3.02Å; I387-G390 PolarHBondContact O-N 3.42Å; G390-I392 PolarHBondContact O-N 3.25Å; G390-H393 PolarHBondContact O-N 2.84Å; G390-W394 VanDerWaalsContact CA-CZ3 3.44Å; G390-W394 PolarHBondContact O-N 3.41Å |
| 391 | F | 98.4 | Very high | 96.6 | Very high | 34 Ų | 34 | 10.5 Ų | 10.5 | 15% | 0.149 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -63.6 | -47.8 | -177.7 | -174 | -89.9 | 0 | 0 | 0 | 109.9 | F76 I387 M388 H393 Y395 F466 I470 | F76-F391 HydrophobicContact CZ-CB 4.05Å; F76-F391 VanDerWaalsContact CZ-N 3.31Å; I387-F391 VanDerWaalsContact O-CB 3.27Å; I387-F391 WeakPolarHBondContact O-CB 3.5Å; I387-F391 PolarHBondContact O-N 2.98Å; M388-F391 PolarHBondContact O-N 2.93Å; F391-H393 VanDerWaalsContact C-N 3.28Å; F391-H393 PolarHBondContact O-N 2.99Å; F391-Y395 HydrophobicContact CD1-CD2 4.21Å; F391-Y395 AromaticContact CE1-CD2 3.39Å; F391-Y395 HydrophobicContact CE1-CD2 3.39Å; F391-Y395 AromaticContact CE1-CE2 3.96Å; F391-Y395 HydrophobicContact CE1-CE2 3.96Å; F391-Y395 HydrophobicContact CE1-CG 4.34Å; F391-Y395 HydrophobicContact CE2-CD2 4.5Å; F391-Y395 AromaticContact CZ-CD2 3.58Å; F391-Y395 HydrophobicContact CZ-CD2 3.58Å; F391-Y395 AromaticContact CZ-CE2 3.98Å; F391-Y395 HydrophobicContact CZ-CE2 3.98Å; F391-Y395 WeakPolarHBondContact O-CA 3.47Å; F391-Y395 WeakPolarHBondContact O-CB 3.19Å; F391-Y395 PolarHBondContact O-N 2.9Å; F391-F466 HydrophobicContact CD1-CE1 4.5Å; F391-F466 HydrophobicContact CD1-CE2 4.46Å; F391-F466 AromaticContact CD1-CZ 3.62Å; F391-F466 HydrophobicContact CD1-CZ 3.62Å; F391-F466 AromaticContact CE1-CZ 3.84Å; F391-F466 HydrophobicContact CE1-CZ 3.84Å; F391-I470 HydrophobicContact CE1-CD1 3.81Å; F391-I470 HydrophobicContact CE1-CG1 4.16Å; F391-I470 HydrophobicContact CZ-CD1 4.09Å |
| 392 | I | 98 | Very high | 97 | Very high | 16 Ų | 16 | 12.8 Ų | 12.8 | 8% | 0.082 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.9 | -39.6 | 177.6 | -70.1 | 165.4 | 0 | 0 | 0 | 111.5 | P334 W338 M388 G390 L403 L408 F466 | P334-I392 HydrophobicContact CB-CG2 3.93Å; W338-I392 VanDerWaalsContact CD1-CD1 3.49Å; W338-I392 HydrophobicContact CG-CD1 4.44Å; W338-I392 VanDerWaalsContact NE1-CD1 3.3Å; M388-I392 HydrophobicContact CE-CD1 4.48Å; M388-I392 WeakPolarHBondContact O-CB 3.29Å; M388-I392 WeakPolarHBondContact O-CD1 3.41Å; M388-I392 VanDerWaalsContact O-CG1 3.27Å; M388-I392 WeakPolarHBondContact O-CG1 3.34Å; M388-I392 PolarHBondContact O-N 3.24Å; G390-I392 PolarHBondContact O-N 3.25Å; I392-L403 HydrophobicContact CG1-CD1 4.36Å; I392-L408 HydrophobicContact CD1-CD2 3.88Å; I392-L408 HydrophobicContact CG1-CD1 4.39Å; I392-L408 HydrophobicContact CG1-CD2 4.04Å; I392-L408 HydrophobicContact CG2-CD1 3.78Å; I392-F466 HydrophobicContact CG1-CE2 4.39Å |
| 393 | H | 96.7 | Very high | 97.2 | Very high | 15 Ų | 15 | 13.6 Ų | 13.6 | 7% | 0.069 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -68.8 | -47.3 | -178.5 | -177.4 | 81.6 | 0 | 0 | 0 | 112.9 | I255 Q258 A335 A389 G390 F391 | I255-H393 HydrophobicContact CD1-CB 4.01Å; I255-H393 HydrophobicContact CG1-CB 3.92Å; Q258-H393 PolarHBondContact NE2-CE1 2.65Å; Q258-H393 VanDerWaalsContact NE2-CE1 3.32Å; Q258-H393 PolarHBondContact OE1-CE1 2.82Å; Q258-H393 PolarHBondContact OE1-NE2 3.27Å; A335-H393 HydrophobicContact CB-CB 4.25Å; A389-H393 VanDerWaalsContact O-CB 3.22Å; A389-H393 WeakPolarHBondContact O-CB 3.46Å; A389-H393 PolarHBondContact O-N 3.27Å; G390-H393 PolarHBondContact O-N 2.84Å; F391-H393 VanDerWaalsContact C-N 3.28Å; F391-H393 PolarHBondContact O-N 2.99Å |
| 394 | W | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -93.9 | -1 | -179 | -69.4 | -72.2 | 0 | 0 | 0 | 114.3 | F76 L80 M84 M251 H254 I255 G390 P396 L397 F398 W492 | F76-W394 HydrophobicContact CD1-CE3 4.16Å; F76-W394 AromaticContact CE1-CE3 3.94Å; F76-W394 HydrophobicContact CE1-CE3 3.94Å; L80-W394 HydrophobicContact CD1-CD2 3.72Å; L80-W394 HydrophobicContact CD1-CE3 3.86Å; L80-W394 HydrophobicContact CD1-CG 4.28Å; L80-W394 HydrophobicContact CD1-CH2 4.42Å; L80-W394 HydrophobicContact CD1-CZ2 4.21Å; L80-W394 HydrophobicContact CD1-CZ3 4.23Å; L80-W394 HydrophobicContact CD2-CD2 4.28Å; L80-W394 HydrophobicContact CD2-CG 4.01Å; M84-W394 HydrophobicContact CE-CZ2 4.04Å; M251-W394 HydrophobicContact CB-CH2 3.98Å; M251-W394 HydrophobicContact CB-CZ3 3.79Å; M251-W394 HydrophobicContact CG-CH2 4.01Å; M251-W394 HydrophobicContact CG-CZ3 3.62Å; M251-W394 HydrophobicContact SD-CZ3 3.96Å; H254-W394 HydrophobicContact CB-CH2 4.11Å; H254-W394 HydrophobicContact CB-CZ2 3.93Å; I255-W394 HydrophobicContact CG1-CH2 4.35Å; G390-W394 VanDerWaalsContact CA-CZ3 3.44Å; G390-W394 PolarHBondContact O-N 3.41Å; W394-P396 VanDerWaalsContact C-CD 3.44Å; W394-P396 VanDerWaalsContact C-N 3.31Å; W394-L397 WeakPolarHBondContact O-CA 3.35Å; W394-L397 VanDerWaalsContact O-CB 3.3Å; W394-L397 WeakPolarHBondContact O-CB 3.43Å; W394-L397 PolarHBondContact O-N 3.42Å; W394-F398 HydrophobicContact CB-CD1 4.33Å; W394-F398 HydrophobicContact CB-CD2 4.33Å; W394-F398 HydrophobicContact CB-CE1 3.68Å; W394-F398 HydrophobicContact CB-CE2 3.68Å; W394-F398 HydrophobicContact CB-CZ 3.32Å; W394-F398 HydrophobicContact CG-CE1 4.45Å; W394-F398 HydrophobicContact CG-CZ 4.18Å; W394-F398 WeakPolarHBondContact O-CG 3.34Å; W394-F398 PolarHBondContact O-N 3.1Å; W394-W492 AromaticContact CD1-CZ2 3.7Å |
| 395 | Y | 97.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 1% | 0.012 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -51.7 | -42.5 | 176.1 | -177.4 | -92.7 | 0 | 0 | 0 | 113.6 | F391 L397 F398 T399 L401 L403 S473 | F391-Y395 HydrophobicContact CD1-CD2 4.21Å; F391-Y395 AromaticContact CE1-CD2 3.39Å; F391-Y395 HydrophobicContact CE1-CD2 3.39Å; F391-Y395 AromaticContact CE1-CE2 3.96Å; F391-Y395 HydrophobicContact CE1-CE2 3.96Å; F391-Y395 HydrophobicContact CE1-CG 4.34Å; F391-Y395 HydrophobicContact CE2-CD2 4.5Å; F391-Y395 AromaticContact CZ-CD2 3.58Å; F391-Y395 HydrophobicContact CZ-CD2 3.58Å; F391-Y395 AromaticContact CZ-CE2 3.98Å; F391-Y395 HydrophobicContact CZ-CE2 3.98Å; F391-Y395 WeakPolarHBondContact O-CA 3.47Å; F391-Y395 WeakPolarHBondContact O-CB 3.19Å; F391-Y395 PolarHBondContact O-N 2.9Å; Y395-L397 VanDerWaalsContact C-N 3.3Å; Y395-L397 PolarHBondContact O-N 3.28Å; Y395-F398 PolarHBondContact O-N 3.21Å; Y395-T399 HydrophobicContact CD2-CG2 4.16Å; Y395-T399 WeakPolarHBondContact CE1-OG1 3.47Å; Y395-T399 HydrophobicContact CE2-CG2 3.81Å; Y395-T399 PolarHBondContact O-N 3.31Å; Y395-T399 PolarHBondContact O-OG1 2.83Å; Y395-L401 WeakPolarHBondContact CD1-O 3.17Å; Y395-L401 HydrophobicContact CE1-CB 3.88Å; Y395-L403 HydrophobicContact CD1-CD1 3.88Å; Y395-L403 HydrophobicContact CD1-CD2 4.04Å; Y395-L403 HydrophobicContact CD1-CG 3.52Å; Y395-L403 HydrophobicContact CD2-CD1 4.2Å; Y395-L403 HydrophobicContact CD2-CD2 4.43Å; Y395-L403 HydrophobicContact CD2-CG 4.43Å; Y395-L403 HydrophobicContact CE1-CD1 4.4Å; Y395-L403 HydrophobicContact CE1-CD2 3.69Å; Y395-L403 HydrophobicContact CE1-CG 3.66Å; Y395-L403 HydrophobicContact CE2-CD2 4.13Å; Y395-L403 HydrophobicContact CG-CD1 3.75Å; Y395-L403 HydrophobicContact CG-CD2 4.37Å; Y395-L403 HydrophobicContact CG-CG 3.92Å; Y395-S473 VanDerWaalsContact CE1-OG 3.3Å; Y395-S473 WeakPolarHBondContact CE1-OG 3.33Å; Y395-S473 WeakPolarHBondContact OH-CB 3.39Å; Y395-S473 PolarHBondContact OH-OG 3.02Å |
| 396 | P | 96 | Very high | 97.1 | Very high | 29 Ų | 29 | 27.1 Ų | 27.1 | 19% | 0.188 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.8 | -38.6 | 172.1 | -27.9 | 39 | 0 | 0 | 0 | 113.7 | W394 G400 L401 V480 W492 | W394-P396 VanDerWaalsContact C-CD 3.44Å; W394-P396 VanDerWaalsContact C-N 3.31Å; P396-G400 WeakPolarHBondContact O-CA 3.29Å; P396-G400 PolarHBondContact O-N 3.41Å; P396-L401 WeakPolarHBondContact CA-O 3.3Å; P396-V480 HydrophobicContact CB-CG2 3.65Å; P396-W492 HydrophobicContact CB-CH2 4.24Å; P396-W492 HydrophobicContact CB-CZ3 4.23Å |
| 397 | L | 95.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.3 | -42.4 | 177.4 | -175.5 | 65.5 | 0 | 0 | 0 | 111.3 | L80 L83 W394 Y395 E491 W492 T496 P497 P498 | L80-L397 HydrophobicContact CD2-CD2 4.06Å; L83-L397 HydrophobicContact CD1-CD2 4.18Å; W394-L397 WeakPolarHBondContact O-CA 3.35Å; W394-L397 VanDerWaalsContact O-CB 3.3Å; W394-L397 WeakPolarHBondContact O-CB 3.43Å; W394-L397 PolarHBondContact O-N 3.42Å; Y395-L397 VanDerWaalsContact C-N 3.3Å; Y395-L397 PolarHBondContact O-N 3.28Å; L397-E491 HydrophobicContact CD2-CB 4.21Å; L397-E491 HydrophobicContact CD2-CG 4Å; L397-W492 HydrophobicContact CB-CE3 4.27Å; L397-W492 HydrophobicContact CB-CH2 3.79Å; L397-W492 HydrophobicContact CB-CZ2 4.41Å; L397-W492 HydrophobicContact CB-CZ3 3.71Å; L397-W492 HydrophobicContact CD1-CE3 4.17Å; L397-W492 HydrophobicContact CD1-CZ3 4.4Å; L397-T496 HydrophobicContact CD1-CG2 4.39Å; L397-P497 WeakPolarHBondContact O-CA 3.36Å; L397-P498 HydrophobicContact CD1-CG 3.92Å; L397-P498 HydrophobicContact CG-CG 4.48Å; L397-P498 VanDerWaalsContact O-CD 3.25Å; L397-P498 WeakPolarHBondContact O-CD 3.14Å |
| 398 | F | 95.6 | Very high | 97.1 | Very high | 18 Ų | 18 | 30.1 Ų | 30.1 | 8% | 0.079 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.2 | -35.5 | -176.5 | -56.7 | -24.9 | 0 | 0 | 0 | 113 | F18 F76 W79 L80 W394 Y395 | F18-F398 HydrophobicContact CE2-CD2 4Å; F18-F398 AromaticContact CE2-CE2 3.67Å; F18-F398 HydrophobicContact CE2-CE2 3.67Å; F18-F398 HydrophobicContact CE2-CZ 4.09Å; F18-F398 AromaticContact CZ-CE2 3.81Å; F18-F398 HydrophobicContact CZ-CE2 3.81Å; F18-F398 HydrophobicContact CZ-CZ 4.14Å; F76-F398 HydrophobicContact CD1-CE2 4.38Å; F76-F398 HydrophobicContact CD1-CZ 4Å; F76-F398 AromaticContact CE1-CE2 3.98Å; F76-F398 HydrophobicContact CE1-CE2 3.98Å; F76-F398 HydrophobicContact CE1-CZ 4.01Å; W79-F398 HydrophobicContact CB-CD1 4.4Å; W79-F398 HydrophobicContact CB-CE1 3.76Å; W79-F398 HydrophobicContact CB-CZ 4.29Å; W79-F398 AromaticContact CD2-CD1 3.53Å; W79-F398 HydrophobicContact CD2-CD1 3.53Å; W79-F398 AromaticContact CD2-CE1 3.83Å; W79-F398 HydrophobicContact CD2-CE1 3.83Å; W79-F398 HydrophobicContact CD2-CG 4.3Å; W79-F398 AromaticContact CE2-CD1 3.99Å; W79-F398 AromaticContact CE3-CD1 3.5Å; W79-F398 HydrophobicContact CE3-CD1 3.5Å; W79-F398 AromaticContact CE3-CE1 3.94Å; W79-F398 HydrophobicContact CE3-CE1 3.94Å; W79-F398 AromaticContact CG-CD1 3.95Å; W79-F398 HydrophobicContact CG-CD1 3.95Å; W79-F398 AromaticContact CG-CE1 3.78Å; W79-F398 HydrophobicContact CG-CE1 3.78Å; W79-F398 HydrophobicContact CG-CZ 4.4Å; W79-F398 HydrophobicContact CH2-CB 4.3Å; W79-F398 HydrophobicContact CH2-CD1 4.36Å; W79-F398 HydrophobicContact CZ2-CB 4.2Å; W79-F398 HydrophobicContact CZ2-CD1 4.39Å; W79-F398 AromaticContact CZ3-CD1 3.93Å; W79-F398 HydrophobicContact CZ3-CD1 3.93Å; L80-F398 HydrophobicContact CD2-CE1 3.95Å; L80-F398 HydrophobicContact CD2-CZ 4.36Å; L80-F398 HydrophobicContact CG-CE1 4.46Å; W394-F398 HydrophobicContact CB-CD1 4.33Å; W394-F398 HydrophobicContact CB-CD2 4.33Å; W394-F398 HydrophobicContact CB-CE1 3.68Å; W394-F398 HydrophobicContact CB-CE2 3.68Å; W394-F398 HydrophobicContact CB-CZ 3.32Å; W394-F398 HydrophobicContact CG-CE1 4.45Å; W394-F398 HydrophobicContact CG-CZ 4.18Å; W394-F398 WeakPolarHBondContact O-CG 3.34Å; W394-F398 PolarHBondContact O-N 3.1Å; Y395-F398 PolarHBondContact O-N 3.21Å |
| 399 | T | 95.4 | Very high | 97.1 | Very high | 47 Ų | 47 | 33.2 Ų | 33.2 | 29% | 0.288 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -119.1 | -17.9 | -168.9 | 63.7 | 0 | 0 | 0 | 0 | 114.6 | Y395 L401 | Y395-T399 HydrophobicContact CD2-CG2 4.16Å; Y395-T399 WeakPolarHBondContact CE1-OG1 3.47Å; Y395-T399 HydrophobicContact CE2-CG2 3.81Å; Y395-T399 PolarHBondContact O-N 3.31Å; Y395-T399 PolarHBondContact O-OG1 2.83Å; T399-L401 PolarHBondContact O-N 3.14Å; T399-L401 WeakPolarHBondContact OG1-CB 3.23Å; T399-L401 PolarHBondContact OG1-N 3.33Å; T399-L401 VanDerWaalsContact OG1-N 3.16Å |
| 400 | G | 95.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 73.1 | 5.5 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | P396 Q479 V480 T496 | P396-G400 WeakPolarHBondContact O-CA 3.29Å; P396-G400 PolarHBondContact O-N 3.41Å; G400-Q479 WeakPolarHBondContact O-CA 3.34Å; G400-Q479 PolarHBondContact O-OE1 3.15Å; G400-V480 WeakPolarHBondContact O-CG2 3.37Å; G400-V480 PolarHBondContact O-N 3Å; G400-T496 VanDerWaalsContact CA-O 3.27Å; G400-T496 WeakPolarHBondContact CA-O 3.44Å |
| 401 | L | 96.7 | Very high | 97.1 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -112.6 | 163.6 | -173.8 | -58.4 | -179.8 | 0 | 0 | 0 | 113.1 | Y395 P396 T399 L474 Q477 R478 | Y395-L401 WeakPolarHBondContact CD1-O 3.17Å; Y395-L401 HydrophobicContact CE1-CB 3.88Å; P396-L401 WeakPolarHBondContact CA-O 3.3Å; T399-L401 PolarHBondContact O-N 3.14Å; T399-L401 WeakPolarHBondContact OG1-CB 3.23Å; T399-L401 PolarHBondContact OG1-N 3.33Å; T399-L401 VanDerWaalsContact OG1-N 3.16Å; L401-L474 HydrophobicContact CD1-CD2 4Å; L401-Q477 HydrophobicContact CD2-CB 4.46Å; L401-R478 CarbonylContact C-O 3.53Å; L401-R478 WeakPolarHBondContact CA-O 3.29Å |
| 402 | T | 96.5 | Very high | 97.1 | Very high | 48 Ų | 48 | 35.1 Ų | 35.1 | 29% | 0.294 | 18% | 0.177 | S | C | . | . | trans | -116 | 132 | 179.3 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | S473 R478 V480 | T402-S473 PolarHBondContact O-OG 3.34Å; T402-R478 PolarHBondContact N-O 2.79Å; T402-R478 PolarHBondContact O-NE 2.91Å; T402-R478 PolarHBondContact O-NH2 3.47Å; T402-R478 VanDerWaalsContact OG1-CB 3.31Å; T402-R478 WeakPolarHBondContact OG1-CB 3.35Å; T402-R478 PolarHBondContact OG1-O 3.4Å; T402-R478 VanDerWaalsContact OG1-O 3.08Å; T402-V480 HydrophobicContact CG2-CG2 3.8Å | ||
| 403 | L | 96.9 | Very high | 97.1 | Very high | 17 Ų | 17 | 39 Ų | 39 | 9% | 0.089 | 20% | 0.196 | C | C | . | . | trans | -81 | 150.7 | 172.7 | -62.5 | 166.1 | 0 | 0 | 0 | 110.7 | I392 Y395 N405 L408 I469 I470 | I392-L403 HydrophobicContact CG1-CD1 4.36Å; Y395-L403 HydrophobicContact CD1-CD1 3.88Å; Y395-L403 HydrophobicContact CD1-CD2 4.04Å; Y395-L403 HydrophobicContact CD1-CG 3.52Å; Y395-L403 HydrophobicContact CD2-CD1 4.2Å; Y395-L403 HydrophobicContact CD2-CD2 4.43Å; Y395-L403 HydrophobicContact CD2-CG 4.43Å; Y395-L403 HydrophobicContact CE1-CD1 4.4Å; Y395-L403 HydrophobicContact CE1-CD2 3.69Å; Y395-L403 HydrophobicContact CE1-CG 3.66Å; Y395-L403 HydrophobicContact CE2-CD2 4.13Å; Y395-L403 HydrophobicContact CG-CD1 3.75Å; Y395-L403 HydrophobicContact CG-CD2 4.37Å; Y395-L403 HydrophobicContact CG-CG 3.92Å; L403-N405 PolarHBondContact O-N 3.18Å; L403-N405 VanDerWaalsContact O-N 3.15Å; L403-L408 HydrophobicContact CB-CD1 3.56Å; L403-L408 HydrophobicContact CB-CG 4.17Å; L403-L408 HydrophobicContact CD1-CD1 4.09Å; L403-L408 HydrophobicContact CD1-CD2 4.36Å; L403-L408 HydrophobicContact CG-CD1 4.47Å; L403-I469 HydrophobicContact CB-CG2 4.27Å; L403-I469 HydrophobicContact CD2-CG2 3.93Å; L403-I470 HydrophobicContact CD2-CG1 4.41Å | ||
| 404 | N | 97.1 | Very high | 97.2 | Very high | 45 Ų | 45 | 40.9 Ų | 40.9 | 24% | 0.241 | 21% | 0.207 | C | C | . | . | trans | -70.9 | 110.3 | 178.4 | -173.3 | -44.6 | 0 | 0 | 0 | 111.7 | K406 W407 L408 | N404-K406 PolarHBondContact O-N 2.93Å; N404-K406 PolarHBondContact OD1-N 3.42Å; N404-W407 HydrophobicContact CB-CB 4.12Å; N404-W407 HydrophobicContact CB-CD2 3.91Å; N404-W407 HydrophobicContact CB-CE3 3.85Å; N404-W407 HydrophobicContact CB-CG 4.04Å; N404-W407 PolarHBondContact O-N 3.34Å; N404-W407 PolarHBondContact OD1-N 2.9Å; N404-L408 WeakPolarHBondContact O-CG 3.23Å; N404-L408 PolarHBondContact O-N 2.58Å | ||
| 405 | N | 95.9 | Very high | 97.3 | Very high | 103 Ų | 103 | 41.5 Ų | 41.5 | 55% | 0.551 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -57.5 | -39.5 | -178.1 | -84.5 | -31 | 0 | 0 | 0 | 114.4 | P334 L403 W407 L408 K409 | P334-N405 WeakPolarHBondContact CD-OD1 3.27Å; P334-N405 WeakPolarHBondContact CG-OD1 3.03Å; L403-N405 PolarHBondContact O-N 3.18Å; L403-N405 VanDerWaalsContact O-N 3.15Å; N405-W407 VanDerWaalsContact C-N 3.35Å; N405-L408 PolarHBondContact O-N 2.83Å; N405-K409 WeakPolarHBondContact O-CG 3.34Å; N405-K409 PolarHBondContact O-N 3.47Å; N405-K409 VanDerWaalsContact O-N 3.1Å |
| 406 | K | 98 | Very high | 97.3 | Very high | 160 Ų | 160 | 44.3 Ų | 44.3 | 70% | 0.696 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -66.4 | -41.3 | -179.4 | -176.7 | 180 | 178 | -178.7 | 0 | 110.8 | N404 K409 S410 | N404-K406 PolarHBondContact O-N 2.93Å; N404-K406 PolarHBondContact OD1-N 3.42Å; K406-K409 PolarHBondContact O-N 3.09Å; K406-S410 PolarHBondContact O-N 2.92Å; K406-S410 PolarHBondContact O-OG 2.87Å |
| 407 | W | 98.5 | Very high | 97.4 | Very high | 73 Ų | 73 | 46.8 Ų | 46.8 | 28% | 0.277 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.8 | -39.6 | 178.3 | -63.2 | -7.6 | 0 | 0 | 0 | 111.6 | N404 N405 K409 S410 H411 F465 F468 I469 E472 | N404-W407 HydrophobicContact CB-CB 4.12Å; N404-W407 HydrophobicContact CB-CD2 3.91Å; N404-W407 HydrophobicContact CB-CE3 3.85Å; N404-W407 HydrophobicContact CB-CG 4.04Å; N404-W407 PolarHBondContact O-N 3.34Å; N404-W407 PolarHBondContact OD1-N 2.9Å; N405-W407 VanDerWaalsContact C-N 3.35Å; W407-K409 VanDerWaalsContact C-N 3.34Å; W407-K409 PolarHBondContact O-N 2.73Å; W407-S410 WeakPolarHBondContact O-CB 3.34Å; W407-S410 PolarHBondContact O-N 2.92Å; W407-S410 VanDerWaalsContact O-N 3.13Å; W407-H411 WeakPolarHBondContact O-CB 3.45Å; W407-H411 PolarHBondContact O-N 2.85Å; W407-F465 HydrophobicContact CB-CE1 4.48Å; W407-F465 HydrophobicContact CB-CE2 4.43Å; W407-F465 HydrophobicContact CB-CZ 3.76Å; W407-F465 HydrophobicContact CG-CZ 4.09Å; W407-F465 WeakPolarHBondContact O-CE1 3.38Å; W407-F468 HydrophobicContact CE3-CE1 4.17Å; W407-F468 AromaticContact CH2-CE1 3.79Å; W407-F468 HydrophobicContact CH2-CE1 3.79Å; W407-F468 HydrophobicContact CH2-CZ 4.27Å; W407-F468 HydrophobicContact CZ3-CD1 4.23Å; W407-F468 AromaticContact CZ3-CE1 3.55Å; W407-F468 HydrophobicContact CZ3-CE1 3.55Å; W407-F468 HydrophobicContact CZ3-CZ 4.31Å; W407-I469 HydrophobicContact CB-CD1 3.79Å; W407-I469 HydrophobicContact CB-CG1 3.88Å; W407-I469 HydrophobicContact CE3-CG1 4.07Å; W407-E472 HydrophobicContact CH2-CG 3.9Å; W407-E472 HydrophobicContact CZ3-CB 3.85Å; W407-E472 HydrophobicContact CZ3-CG 3.57Å |
| 408 | L | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.1 | -37.9 | 175.3 | -73 | 177.8 | 0 | 0 | 0 | 113.3 | P334 I392 L403 N404 N405 S410 H411 F412 F466 I469 | P334-L408 HydrophobicContact CB-CB 3.73Å; P334-L408 HydrophobicContact CB-CD1 3.98Å; P334-L408 HydrophobicContact CG-CB 3.61Å; P334-L408 HydrophobicContact CG-CD1 3.95Å; P334-L408 HydrophobicContact CG-CG 4.48Å; I392-L408 HydrophobicContact CD1-CD2 3.88Å; I392-L408 HydrophobicContact CG1-CD1 4.39Å; I392-L408 HydrophobicContact CG1-CD2 4.04Å; I392-L408 HydrophobicContact CG2-CD1 3.78Å; L403-L408 HydrophobicContact CB-CD1 3.56Å; L403-L408 HydrophobicContact CB-CG 4.17Å; L403-L408 HydrophobicContact CD1-CD1 4.09Å; L403-L408 HydrophobicContact CD1-CD2 4.36Å; L403-L408 HydrophobicContact CG-CD1 4.47Å; N404-L408 WeakPolarHBondContact O-CG 3.23Å; N404-L408 PolarHBondContact O-N 2.58Å; N405-L408 PolarHBondContact O-N 2.83Å; L408-S410 VanDerWaalsContact C-N 3.35Å; L408-H411 PolarHBondContact O-N 3.13Å; L408-F412 PolarHBondContact O-N 3.33Å; L408-F466 HydrophobicContact CD2-CD2 4.48Å; L408-F466 HydrophobicContact CD2-CE2 4.38Å; L408-I469 HydrophobicContact CD2-CD1 4.11Å; L408-I469 HydrophobicContact CD2-CG2 4.11Å; L408-I469 HydrophobicContact CG-CG2 4.37Å |
| 409 | K | 98.6 | Very high | 97.7 | Very high | 83 Ų | 83 | 46.2 Ų | 46.2 | 36% | 0.361 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.2 | -41.4 | 172.8 | -68.4 | -174.8 | -172.5 | -162 | 0 | 111.8 | Y332 P334 L337 N405 K406 W407 F412 I413 | Y332-K409 WeakPolarHBondContact O-CE 3.45Å; Y332-K409 PolarHBondContact O-NZ 3.32Å; P334-K409 HydrophobicContact CG-CG 4.31Å; L337-K409 HydrophobicContact CD1-CB 4.44Å; L337-K409 HydrophobicContact CD1-CD 4.44Å; L337-K409 HydrophobicContact CD1-CG 3.9Å; N405-K409 WeakPolarHBondContact O-CG 3.34Å; N405-K409 PolarHBondContact O-N 3.47Å; N405-K409 VanDerWaalsContact O-N 3.1Å; K406-K409 PolarHBondContact O-N 3.09Å; W407-K409 VanDerWaalsContact C-N 3.34Å; W407-K409 PolarHBondContact O-N 2.73Å; K409-F412 PolarHBondContact O-N 3.45Å; K409-I413 WeakPolarHBondContact O-CG1 3.28Å; K409-I413 PolarHBondContact O-N 3.18Å; K409-I413 VanDerWaalsContact O-N 3.17Å |
| 410 | S | 98.5 | Very high | 97.8 | Very high | 49 Ų | 49 | 45.5 Ų | 45.5 | 34% | 0.343 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -65.2 | -42.7 | 177 | -52.6 | 0 | 0 | 0 | 0 | 111 | K406 W407 L408 I413 I414 | K406-S410 PolarHBondContact O-N 2.92Å; K406-S410 PolarHBondContact O-OG 2.87Å; W407-S410 WeakPolarHBondContact O-CB 3.34Å; W407-S410 PolarHBondContact O-N 2.92Å; W407-S410 VanDerWaalsContact O-N 3.13Å; L408-S410 VanDerWaalsContact C-N 3.35Å; S410-I413 PolarHBondContact O-N 3.35Å; S410-I414 WeakPolarHBondContact O-CG1 3.32Å; S410-I414 PolarHBondContact O-N 3.27Å |
| 411 | H | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.014 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59 | -46.4 | 174.4 | 170.2 | -120.3 | 0 | 0 | 0 | 112 | W338 W407 L408 I413 I414 M415 G462 F465 F466 I469 | W338-H411 AromaticContact CH2-CE1 3.91Å; W338-H411 AromaticContact CZ2-CE1 3.4Å; W338-H411 WeakPolarHBondContact CZ2-CE1 3.29Å; W338-H411 AromaticContact CZ2-ND1 3.57Å; W407-H411 WeakPolarHBondContact O-CB 3.45Å; W407-H411 PolarHBondContact O-N 2.85Å; L408-H411 PolarHBondContact O-N 3.13Å; H411-I413 VanDerWaalsContact C-N 3.34Å; H411-I413 PolarHBondContact O-N 2.81Å; H411-I414 PolarHBondContact O-N 3.1Å; H411-M415 WeakPolarHBondContact NE2-CG 3.28Å; H411-M415 PolarHBondContact O-N 2.61Å; H411-G462 PolarHBondContact CD2-O 3.05Å; H411-G462 PolarHBondContact NE2-O 3.48Å; H411-F465 HydrophobicContact CB-CD1 3.87Å; H411-F465 HydrophobicContact CB-CE1 4.05Å; H411-F466 AromaticContact CE1-CD2 3.8Å; H411-F466 AromaticContact CE1-CG 3.88Å; H411-F466 AromaticContact ND1-CD2 3.86Å; H411-I469 HydrophobicContact CB-CD1 3.96Å |
| 412 | F | 98.6 | Very high | 98 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 10% | 0.101 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.2 | -46.7 | 175.2 | 170.8 | -100.9 | 0 | 0 | 0 | 111.9 | L337 W338 F385 L408 K409 I414 M415 F416 | L337-F412 HydrophobicContact CB-CD1 3.93Å; L337-F412 HydrophobicContact CB-CD2 4.26Å; L337-F412 HydrophobicContact CB-CE1 4Å; L337-F412 HydrophobicContact CB-CE2 4.33Å; L337-F412 HydrophobicContact CB-CG 4.06Å; L337-F412 HydrophobicContact CB-CZ 4.2Å; L337-F412 HydrophobicContact CD1-CD1 4.2Å; L337-F412 HydrophobicContact CD2-CE1 4.3Å; L337-F412 HydrophobicContact CG-CD1 4.47Å; L337-F412 VanDerWaalsContact O-CE2 3.22Å; L337-F412 WeakPolarHBondContact O-CE2 2.81Å; L337-F412 VanDerWaalsContact O-CZ 3.31Å; L337-F412 WeakPolarHBondContact O-CZ 3.33Å; W338-F412 AromaticContact CD2-CD2 3.73Å; W338-F412 HydrophobicContact CD2-CD2 3.73Å; W338-F412 HydrophobicContact CD2-CE2 4.42Å; W338-F412 AromaticContact CE2-CD2 3.79Å; W338-F412 HydrophobicContact CE3-CD2 4.15Å; W338-F412 AromaticContact CG-CD2 3.99Å; W338-F412 HydrophobicContact CG-CD2 3.99Å; W338-F412 HydrophobicContact CZ2-CB 4.21Å; W338-F412 HydrophobicContact CZ2-CD2 4.21Å; F385-F412 HydrophobicContact CE1-CE2 4.23Å; L408-F412 PolarHBondContact O-N 3.33Å; K409-F412 PolarHBondContact O-N 3.45Å; F412-I414 PolarHBondContact O-N 3.24Å; F412-M415 PolarHBondContact O-N 3.32Å; F412-F416 HydrophobicContact CE2-CD2 4.27Å; F412-F416 HydrophobicContact CZ-CB 4.4Å; F412-F416 AromaticContact CZ-CD2 3.89Å; F412-F416 HydrophobicContact CZ-CD2 3.89Å; F412-F416 HydrophobicContact CZ-CG 4.37Å; F412-F416 WeakPolarHBondContact O-CB 3.32Å; F412-F416 PolarHBondContact O-N 2.79Å |
| 413 | I | 98.5 | Very high | 98.1 | Very high | 96 Ų | 96 | 47.1 Ų | 47.1 | 49% | 0.492 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 180 | -66 | 166.6 | 0 | 0 | 0 | 111.1 | K409 S410 H411 F416 I417 | K409-I413 WeakPolarHBondContact O-CG1 3.28Å; K409-I413 PolarHBondContact O-N 3.18Å; K409-I413 VanDerWaalsContact O-N 3.17Å; S410-I413 PolarHBondContact O-N 3.35Å; H411-I413 VanDerWaalsContact C-N 3.34Å; H411-I413 PolarHBondContact O-N 2.81Å; I413-F416 PolarHBondContact O-N 3.05Å; I413-I417 HydrophobicContact CG2-CD1 3.82Å; I413-I417 WeakPolarHBondContact O-CG1 3.46Å; I413-I417 PolarHBondContact O-N 3.11Å |
| 414 | I | 98.5 | Very high | 98.2 | Very high | 55 Ų | 55 | 50.9 Ų | 50.9 | 28% | 0.282 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.8 | -49.8 | 178.4 | -66.6 | 164.5 | 0 | 0 | 0 | 110.2 | S410 H411 F412 G418 I458 F465 | S410-I414 WeakPolarHBondContact O-CG1 3.32Å; S410-I414 PolarHBondContact O-N 3.27Å; H411-I414 PolarHBondContact O-N 3.1Å; F412-I414 PolarHBondContact O-N 3.24Å; I414-G418 PolarHBondContact O-N 3.34Å; I414-I458 HydrophobicContact CG2-CG2 3.95Å; I414-F465 HydrophobicContact CD1-CD1 4.05Å; I414-F465 HydrophobicContact CD1-CE1 4.43Å |
| 415 | M | 98.1 | Very high | 98.3 | Very high | 14 Ų | 14 | 49 Ų | 49 | 7% | 0.069 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -44.5 | 179.7 | -77.5 | -59.3 | -65.3 | 0 | 0 | 112.2 | W338 H411 F412 I417 G418 V419 S459 I463 | W338-M415 HydrophobicContact CH2-CB 3.72Å; W338-M415 HydrophobicContact CH2-CG 4Å; W338-M415 HydrophobicContact CZ2-CB 4.4Å; H411-M415 WeakPolarHBondContact NE2-CG 3.28Å; H411-M415 PolarHBondContact O-N 2.61Å; F412-M415 PolarHBondContact O-N 3.32Å; M415-I417 VanDerWaalsContact C-N 3.35Å; M415-I417 PolarHBondContact O-N 3.46Å; M415-G418 PolarHBondContact O-N 2.95Å; M415-V419 HydrophobicContact CE-CG1 3.94Å; M415-V419 WeakPolarHBondContact O-CG1 3.4Å; M415-V419 VanDerWaalsContact O-CG2 3.22Å; M415-V419 WeakPolarHBondContact O-CG2 3.28Å; M415-V419 PolarHBondContact O-N 2.98Å; M415-S459 VanDerWaalsContact SD-O 3.38Å; M415-I463 HydrophobicContact CE-CG1 4.24Å; M415-I463 HydrophobicContact SD-CG1 4.12Å |
| 416 | F | 98.3 | Very high | 98.4 | Very high | 61 Ų | 61 | 44.3 Ų | 44.3 | 27% | 0.268 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.1 | -45.3 | 179.7 | -173.6 | -86.7 | 0 | 0 | 0 | 111.7 | F344 L345 F385 F412 I413 N420 | F344-F416 HydrophobicContact CD1-CZ 4.31Å; F344-F416 HydrophobicContact CE1-CZ 4.48Å; L345-F416 HydrophobicContact CD1-CD2 3.93Å; L345-F416 HydrophobicContact CD1-CE2 3.66Å; L345-F416 HydrophobicContact CD1-CZ 4.47Å; L345-F416 HydrophobicContact CD2-CE2 4.28Å; L345-F416 HydrophobicContact CD2-CZ 4.37Å; L345-F416 HydrophobicContact CG-CE2 4.03Å; F385-F416 HydrophobicContact CE1-CD2 4.2Å; F412-F416 HydrophobicContact CE2-CD2 4.27Å; F412-F416 HydrophobicContact CZ-CB 4.4Å; F412-F416 AromaticContact CZ-CD2 3.89Å; F412-F416 HydrophobicContact CZ-CD2 3.89Å; F412-F416 HydrophobicContact CZ-CG 4.37Å; F412-F416 WeakPolarHBondContact O-CB 3.32Å; F412-F416 PolarHBondContact O-N 2.79Å; I413-F416 PolarHBondContact O-N 3.05Å; F416-N420 WeakPolarHBondContact O-CB 3.32Å; F416-N420 PolarHBondContact O-N 3.21Å; F416-N420 PolarHBondContact O-ND2 3.11Å |
| 417 | I | 98.5 | Very high | 98.4 | Very high | 81 Ų | 81 | 37.2 Ų | 37.2 | 42% | 0.415 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -67.3 | -49 | 176 | -67.2 | 170.7 | 0 | 0 | 0 | 110.3 | I413 M415 V419 N420 L421 | I413-I417 HydrophobicContact CG2-CD1 3.82Å; I413-I417 WeakPolarHBondContact O-CG1 3.46Å; I413-I417 PolarHBondContact O-N 3.11Å; M415-I417 VanDerWaalsContact C-N 3.35Å; M415-I417 PolarHBondContact O-N 3.46Å; I417-V419 PolarHBondContact O-N 2.67Å; I417-N420 PolarHBondContact O-N 2.98Å; I417-L421 HydrophobicContact CG2-CD1 3.69Å; I417-L421 HydrophobicContact CG2-CG 4.23Å; I417-L421 WeakPolarHBondContact O-CB 3.29Å; I417-L421 WeakPolarHBondContact O-CG 3.38Å; I417-L421 PolarHBondContact O-N 3.4Å |
| 418 | G | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.9 | -56.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | I414 M415 N420 L421 T422 G455 S459 | I414-G418 PolarHBondContact O-N 3.34Å; M415-G418 PolarHBondContact O-N 2.95Å; G418-N420 VanDerWaalsContact C-N 3.35Å; G418-N420 PolarHBondContact O-N 3.15Å; G418-L421 PolarHBondContact O-N 2.77Å; G418-T422 PolarHBondContact O-N 2.77Å; G418-T422 PolarHBondContact O-OG1 3.32Å; G418-G455 CarbonylContact C-O 3.42Å; G418-G455 WeakPolarHBondContact CA-O 3.31Å; G418-G455 CarbonylContact O-C 3.35Å; G418-G455 WeakPolarHBondContact O-CA 3.32Å; G418-S459 WeakPolarHBondContact CA-OG 3.44Å; G418-S459 PolarHBondContact O-OG 3.15Å |
| 419 | V | 97.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.042 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.3 | -36.6 | -175.4 | -61 | 0 | 0 | 0 | 0 | 112.7 | M381 F385 M415 I417 T422 F423 S459 | M381-V419 HydrophobicContact CE-CB 4.5Å; M381-V419 HydrophobicContact CG-CB 4.23Å; M381-V419 HydrophobicContact CG-CG2 3.67Å; M381-V419 HydrophobicContact SD-CG2 4.07Å; F385-V419 HydrophobicContact CE2-CG1 4.47Å; F385-V419 HydrophobicContact CE2-CG2 3.94Å; F385-V419 HydrophobicContact CZ-CG2 3.91Å; M415-V419 HydrophobicContact CE-CG1 3.94Å; M415-V419 WeakPolarHBondContact O-CG1 3.4Å; M415-V419 VanDerWaalsContact O-CG2 3.22Å; M415-V419 WeakPolarHBondContact O-CG2 3.28Å; M415-V419 PolarHBondContact O-N 2.98Å; I417-V419 PolarHBondContact O-N 2.67Å; V419-T422 PolarHBondContact O-N 3.19Å; V419-F423 HydrophobicContact CB-CD2 4.32Å; V419-F423 VanDerWaalsContact O-CD2 3.23Å; V419-F423 WeakPolarHBondContact O-CD2 3.33Å; V419-F423 PolarHBondContact O-N 3.41Å; V419-S459 PolarHBondContact N-OG 2.9Å |
| 420 | N | 98.2 | Very high | 98.4 | Very high | 32 Ų | 32 | 33.4 Ų | 33.4 | 17% | 0.171 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.6 | -42.9 | 176.3 | -81.5 | -81.1 | 0 | 0 | 0 | 111 | L345 Y377 F416 I417 G418 T422 F424 P425 | L345-N420 VanDerWaalsContact CD2-OD1 3.31Å; L345-N420 WeakPolarHBondContact CD2-OD1 3.35Å; Y377-N420 PolarHBondContact OH-OD1 3.32Å; F416-N420 WeakPolarHBondContact O-CB 3.32Å; F416-N420 PolarHBondContact O-N 3.21Å; F416-N420 PolarHBondContact O-ND2 3.11Å; I417-N420 PolarHBondContact O-N 2.98Å; G418-N420 VanDerWaalsContact C-N 3.35Å; G418-N420 PolarHBondContact O-N 3.15Å; N420-T422 PolarHBondContact O-N 3.28Å; N420-F424 WeakPolarHBondContact O-CA 3.33Å; N420-F424 WeakPolarHBondContact O-CB 3.27Å; N420-F424 PolarHBondContact O-N 3.17Å; N420-P425 WeakPolarHBondContact O-CD 3.4Å |
| 421 | L | 98.3 | Very high | 98.3 | Very high | 63 Ų | 63 | 36.2 Ų | 36.2 | 33% | 0.33 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -64.2 | -31.1 | 173.9 | -71 | 179.7 | 0 | 0 | 0 | 112.2 | I417 G418 P425 V451 S452 I458 | I417-L421 HydrophobicContact CG2-CD1 3.69Å; I417-L421 HydrophobicContact CG2-CG 4.23Å; I417-L421 WeakPolarHBondContact O-CB 3.29Å; I417-L421 WeakPolarHBondContact O-CG 3.38Å; I417-L421 PolarHBondContact O-N 3.4Å; G418-L421 PolarHBondContact O-N 2.77Å; L421-P425 WeakPolarHBondContact O-CD 3.42Å; L421-P425 WeakPolarHBondContact O-CG 3.46Å; L421-V451 HydrophobicContact CD2-CG1 4.09Å; L421-S452 WeakPolarHBondContact O-CA 3.34Å; L421-I458 HydrophobicContact CD1-CD1 3.98Å |
| 422 | T | 98.5 | Very high | 98.3 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.2 | -56.3 | 175 | -51.3 | 0 | 0 | 0 | 0 | 111.5 | G418 V419 N420 Q426 S452 G455 S456 S459 | G418-T422 PolarHBondContact O-N 2.77Å; G418-T422 PolarHBondContact O-OG1 3.32Å; V419-T422 PolarHBondContact O-N 3.19Å; N420-T422 PolarHBondContact O-N 3.28Å; T422-Q426 PolarHBondContact O-NE2 3.29Å; T422-S452 VanDerWaalsContact O-CB 3.31Å; T422-S452 WeakPolarHBondContact O-CB 3.43Å; T422-S452 PolarHBondContact O-OG 3.45Å; T422-G455 PolarHBondContact OG1-O 2.96Å; T422-S456 WeakPolarHBondContact OG1-CA 3.32Å; T422-S456 PolarHBondContact OG1-N 3.44Å; T422-S459 PolarHBondContact OG1-OG 3.43Å |
| 423 | F | 98.4 | Very high | 98.2 | Very high | 20 Ų | 20 | 39.6 Ų | 39.6 | 9% | 0.088 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -101.9 | -25.2 | -162.8 | -60.3 | -64.9 | 0 | 0 | 0 | 113.9 | A373 H376 Y377 M381 V419 Q426 | A373-F423 WeakPolarHBondContact CB-O 3.5Å; H376-F423 HydrophobicContact CB-CB 4.33Å; H376-F423 HydrophobicContact CB-CD1 3.34Å; H376-F423 HydrophobicContact CB-CD2 3.94Å; H376-F423 HydrophobicContact CB-CE1 3.46Å; H376-F423 VanDerWaalsContact CB-CE1 3.46Å; H376-F423 HydrophobicContact CB-CE2 4.03Å; H376-F423 HydrophobicContact CB-CG 3.6Å; H376-F423 HydrophobicContact CB-CZ 3.8Å; H376-F423 AromaticContact CD2-CE1 3.19Å; H376-F423 WeakPolarHBondContact CD2-CE1 3.41Å; H376-F423 AromaticContact CD2-CZ 3.3Å; H376-F423 WeakPolarHBondContact CD2-CZ 3.33Å; H376-F423 AromaticContact CG-CD1 3.56Å; H376-F423 AromaticContact CG-CE1 3.21Å; H376-F423 AromaticContact CG-CZ 3.68Å; H376-F423 AromaticContact ND1-CE1 3.83Å; H376-F423 AromaticContact NE2-CE1 3.81Å; Y377-F423 HydrophobicContact CD2-CB 4.14Å; Y377-F423 HydrophobicContact CE2-CB 3.91Å; M381-F423 HydrophobicContact CE-CB 3.74Å; M381-F423 HydrophobicContact CE-CD2 3.67Å; M381-F423 HydrophobicContact CE-CG 4.09Å; V419-F423 HydrophobicContact CB-CD2 4.32Å; V419-F423 VanDerWaalsContact O-CD2 3.23Å; V419-F423 WeakPolarHBondContact O-CD2 3.33Å; V419-F423 PolarHBondContact O-N 3.41Å; F423-Q426 WeakPolarHBondContact O-CB 3.44Å; F423-Q426 PolarHBondContact O-N 3.32Å |
| 424 | F | 98.2 | Very high | 98.1 | Very high | 97 Ų | 97 | 35.2 Ų | 35.2 | 43% | 0.425 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 177.6 | -165.6 | -104.7 | 0 | 0 | 0 | 112.1 | Y377 N420 Q426 H427 F428 | Y377-F424 HydrophobicContact CE2-CB 4.45Å; Y377-F424 AromaticContact CZ-CD2 4Å; Y377-F424 VanDerWaalsContact OH-CB 3.32Å; Y377-F424 WeakPolarHBondContact OH-CB 3.42Å; Y377-F424 VanDerWaalsContact OH-CD2 3.29Å; Y377-F424 WeakPolarHBondContact OH-CD2 3.3Å; N420-F424 WeakPolarHBondContact O-CA 3.33Å; N420-F424 WeakPolarHBondContact O-CB 3.27Å; N420-F424 PolarHBondContact O-N 3.17Å; F424-Q426 PolarHBondContact O-N 2.72Å; F424-Q426 VanDerWaalsContact O-N 3.11Å; F424-H427 PolarHBondContact O-N 2.91Å; F424-H427 VanDerWaalsContact O-N 3.12Å; F424-H427 PolarHBondContact O-ND1 3.19Å; F424-F428 AromaticContact CD1-CE2 3.89Å; F424-F428 HydrophobicContact CD1-CE2 3.89Å; F424-F428 AromaticContact CE1-CE2 3.61Å; F424-F428 HydrophobicContact CE1-CE2 3.61Å; F424-F428 AromaticContact CE1-CZ 3.82Å; F424-F428 HydrophobicContact CE1-CZ 3.82Å; F424-F428 HydrophobicContact CZ-CE2 4.49Å; F424-F428 HydrophobicContact CZ-CZ 4.37Å |
| 425 | P | 98.4 | Very high | 98 | Very high | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.5 | -28.1 | 176 | -30.1 | 40.1 | 0 | 0 | 0 | 114.8 | N420 L421 H427 F428 L429 W448 V451 | N420-P425 WeakPolarHBondContact O-CD 3.4Å; L421-P425 WeakPolarHBondContact O-CD 3.42Å; L421-P425 WeakPolarHBondContact O-CG 3.46Å; P425-H427 PolarHBondContact O-N 2.75Å; P425-F428 WeakPolarHBondContact O-CB 3.15Å; P425-F428 PolarHBondContact O-N 3.2Å; P425-L429 PolarHBondContact O-N 2.91Å; P425-L429 VanDerWaalsContact O-N 3.15Å; P425-W448 HydrophobicContact CB-CB 4.12Å; P425-W448 HydrophobicContact CB-CD2 4.32Å; P425-W448 HydrophobicContact CB-CE3 3.76Å; P425-W448 HydrophobicContact CG-CE3 4.22Å; P425-V451 HydrophobicContact CG-CB 4.22Å; P425-V451 HydrophobicContact CG-CG1 3.74Å |
| 426 | Q | 98.4 | Very high | 97.9 | Very high | 5 Ų | 5 | 36.6 Ų | 36.6 | 2% | 0.023 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.6 | -23.4 | -178.3 | -63.9 | 179.9 | 2.1 | 0 | 0 | 112.7 | Y369 A373 T422 F423 F424 F428 L429 G430 S452 | Y369-Q426 CarbonylContact C-O 3.57Å; Y369-Q426 HydrophobicContact CD1-CB 4.22Å; Y369-Q426 HydrophobicContact CD1-CG 4.07Å; A373-Q426 HydrophobicContact CB-CB 3.7Å; T422-Q426 PolarHBondContact O-NE2 3.29Å; F423-Q426 WeakPolarHBondContact O-CB 3.44Å; F423-Q426 PolarHBondContact O-N 3.32Å; F424-Q426 PolarHBondContact O-N 2.72Å; F424-Q426 VanDerWaalsContact O-N 3.11Å; Q426-F428 VanDerWaalsContact C-N 3.32Å; Q426-F428 PolarHBondContact O-N 2.92Å; Q426-L429 HydrophobicContact CG-CD1 4.32Å; Q426-L429 PolarHBondContact O-N 3.43Å; Q426-G430 PolarHBondContact O-N 3.06Å; Q426-S452 PolarHBondContact NE2-OG 3.22Å |
| 427 | H | 98.5 | Very high | 97.5 | Very high | 12 Ų | 12 | 38.1 Ų | 38.1 | 6% | 0.056 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 169.5 | -67.2 | 96.5 | 0 | 0 | 0 | 111.2 | Y370 A373 Y377 F424 P425 G430 L431 | Y370-H427 HydrophobicContact CD2-CB 4.29Å; Y370-H427 AromaticContact CD2-CD2 4Å; Y370-H427 HydrophobicContact CE2-CB 4.37Å; Y370-H427 AromaticContact CE2-CD2 3.8Å; A373-H427 HydrophobicContact CB-CB 4.45Å; A373-H427 WeakPolarHBondContact CB-CE1 3.23Å; A373-H427 WeakPolarHBondContact CB-ND1 3.26Å; A373-H427 WeakPolarHBondContact CB-NE2 3.48Å; Y377-H427 AromaticContact CD2-CE1 3.59Å; Y377-H427 AromaticContact CE2-CE1 3.61Å; F424-H427 PolarHBondContact O-N 2.91Å; F424-H427 VanDerWaalsContact O-N 3.12Å; F424-H427 PolarHBondContact O-ND1 3.19Å; P425-H427 PolarHBondContact O-N 2.75Å; H427-G430 PolarHBondContact O-N 3.4Å; H427-L431 WeakPolarHBondContact O-CB 3.21Å; H427-L431 VanDerWaalsContact O-CG 3.28Å; H427-L431 WeakPolarHBondContact O-CG 3.3Å; H427-L431 PolarHBondContact O-N 3.02Å |
| 428 | F | 98.4 | Very high | 97.3 | Very high | 77 Ų | 77 | 41.1 Ų | 41.1 | 34% | 0.338 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -69.9 | -37.3 | 177.7 | -58.4 | -64.6 | 0 | 0 | 0 | 112.1 | F424 P425 Q426 G430 L431 A432 W448 | F424-F428 AromaticContact CD1-CE2 3.89Å; F424-F428 HydrophobicContact CD1-CE2 3.89Å; F424-F428 AromaticContact CE1-CE2 3.61Å; F424-F428 HydrophobicContact CE1-CE2 3.61Å; F424-F428 AromaticContact CE1-CZ 3.82Å; F424-F428 HydrophobicContact CE1-CZ 3.82Å; F424-F428 HydrophobicContact CZ-CE2 4.49Å; F424-F428 HydrophobicContact CZ-CZ 4.37Å; P425-F428 WeakPolarHBondContact O-CB 3.15Å; P425-F428 PolarHBondContact O-N 3.2Å; Q426-F428 VanDerWaalsContact C-N 3.32Å; Q426-F428 PolarHBondContact O-N 2.92Å; F428-G430 VanDerWaalsContact C-N 3.3Å; F428-G430 PolarHBondContact O-N 3.35Å; F428-L431 HydrophobicContact CD1-CD1 4.45Å; F428-L431 PolarHBondContact O-N 3Å; F428-A432 WeakPolarHBondContact O-CB 3.45Å; F428-A432 PolarHBondContact O-N 2.89Å; F428-W448 HydrophobicContact CB-CD2 4.28Å; F428-W448 HydrophobicContact CB-CG 4.29Å; F428-W448 HydrophobicContact CB-CZ2 4.36Å; F428-W448 HydrophobicContact CD2-CD2 4.23Å; F428-W448 AromaticContact CD2-CE2 3.92Å; F428-W448 HydrophobicContact CD2-CE3 4.39Å; F428-W448 AromaticContact CD2-CH2 3.95Å; F428-W448 HydrophobicContact CD2-CH2 3.95Å; F428-W448 AromaticContact CD2-CZ2 3.78Å; F428-W448 HydrophobicContact CD2-CZ2 3.78Å; F428-W448 HydrophobicContact CD2-CZ3 4.26Å; F428-W448 HydrophobicContact CE2-CH2 4.13Å; F428-W448 HydrophobicContact CE2-CZ2 4.28Å; F428-W448 HydrophobicContact CG-CZ2 4.07Å |
| 429 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.5 | -45.9 | 170.6 | -68.6 | 176.1 | 0 | 0 | 0 | 111.1 | Y369 P425 Q426 A432 G433 M434 Y445 W448 | Y369-L429 HydrophobicContact CD1-CD1 4.42Å; Y369-L429 HydrophobicContact CG-CB 4.34Å; P425-L429 PolarHBondContact O-N 2.91Å; P425-L429 VanDerWaalsContact O-N 3.15Å; Q426-L429 HydrophobicContact CG-CD1 4.32Å; Q426-L429 PolarHBondContact O-N 3.43Å; L429-A432 PolarHBondContact O-N 3.33Å; L429-G433 PolarHBondContact O-N 3.18Å; L429-M434 HydrophobicContact CB-CB 4.19Å; L429-M434 HydrophobicContact CB-SD 3.94Å; L429-M434 HydrophobicContact CD1-SD 3.88Å; L429-M434 HydrophobicContact CD2-SD 3.81Å; L429-M434 HydrophobicContact CG-SD 4.1Å; L429-M434 VanDerWaalsContact O-CB 3.25Å; L429-M434 WeakPolarHBondContact O-CB 3.14Å; L429-M434 PolarHBondContact O-N 3.22Å; L429-Y445 HydrophobicContact CD2-CD1 3.89Å; L429-Y445 HydrophobicContact CD2-CG 4.2Å; L429-W448 HydrophobicContact CD1-CB 4.24Å; L429-W448 HydrophobicContact CD2-CB 3.6Å; L429-W448 HydrophobicContact CD2-CG 4.41Å; L429-W448 HydrophobicContact CG-CB 3.71Å |
| 430 | G | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.4 | -45.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y370 Q426 H427 F428 A432 G433 | Y370-G430 VanDerWaalsContact N-CA 3.26Å; Q426-G430 PolarHBondContact O-N 3.06Å; H427-G430 PolarHBondContact O-N 3.4Å; F428-G430 VanDerWaalsContact C-N 3.3Å; F428-G430 PolarHBondContact O-N 3.35Å; G430-A432 PolarHBondContact O-N 3.21Å; G430-G433 WeakPolarHBondContact O-CA 3.4Å; G430-G433 PolarHBondContact O-N 3.44Å |
| 431 | L | 97.9 | Very high | 96.8 | Very high | 107 Ų | 107 | 43.7 Ų | 43.7 | 56% | 0.56 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -61.5 | -29.6 | 175.4 | -72.9 | 173.2 | 0 | 0 | 0 | 112.3 | L365 Y370 H427 F428 | L365-L431 HydrophobicContact CD2-CD2 4.04Å; Y370-L431 HydrophobicContact CD2-CD2 4.01Å; Y370-L431 HydrophobicContact CD2-CG 3.93Å; Y370-L431 HydrophobicContact CE2-CD2 3.98Å; Y370-L431 HydrophobicContact CE2-CG 4.11Å; H427-L431 WeakPolarHBondContact O-CB 3.21Å; H427-L431 VanDerWaalsContact O-CG 3.28Å; H427-L431 WeakPolarHBondContact O-CG 3.3Å; H427-L431 PolarHBondContact O-N 3.02Å; F428-L431 HydrophobicContact CD1-CD1 4.45Å; F428-L431 PolarHBondContact O-N 3Å |
| 432 | A | 97.5 | Very high | 96.7 | Very high | 61 Ų | 61 | 44.6 Ų | 44.6 | 50% | 0.504 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | F428 L429 G430 Y445 | F428-A432 WeakPolarHBondContact O-CB 3.45Å; F428-A432 PolarHBondContact O-N 2.89Å; L429-A432 PolarHBondContact O-N 3.33Å; G430-A432 PolarHBondContact O-N 3.21Å; A432-Y445 HydrophobicContact CB-CD1 4.34Å; A432-Y445 HydrophobicContact CB-CE1 3.69Å; A432-Y445 PolarHBondContact O-OH 2.93Å |
| 433 | G | 96.7 | Very high | 96.5 | Very high | 37 Ų | 37 | 50.6 Ų | 50.6 | 38% | 0.381 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 15.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L429 G430 P435 | L429-G433 PolarHBondContact O-N 3.18Å; G430-G433 WeakPolarHBondContact O-CA 3.4Å; G430-G433 PolarHBondContact O-N 3.44Å; G433-P435 VanDerWaalsContact O-CD 3.28Å; G433-P435 WeakPolarHBondContact O-CD 3.19Å |
| 434 | M | 97.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.02 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 117.1 | 176.3 | -172.6 | -172.6 | 173 | 0 | 0 | 109.7 | T368 Y369 L429 Y441 Y445 | T368-M434 CarbonylContact C-O 3.48Å; T368-M434 VanDerWaalsContact CA-O 3.27Å; T368-M434 WeakPolarHBondContact CA-O 3.4Å; T368-M434 WeakPolarHBondContact CB-O 3.28Å; Y369-M434 HydrophobicContact CD2-CB 4.16Å; Y369-M434 HydrophobicContact CD2-CE 3.98Å; Y369-M434 HydrophobicContact CD2-CG 3.72Å; Y369-M434 HydrophobicContact CD2-SD 3.64Å; Y369-M434 HydrophobicContact CE2-CE 3.41Å; Y369-M434 VanDerWaalsContact CE2-CE 3.41Å; Y369-M434 HydrophobicContact CE2-CG 4.02Å; Y369-M434 HydrophobicContact CE2-SD 3.75Å; Y369-M434 HydrophobicContact CG-SD 4.13Å; Y369-M434 PolarHBondContact N-O 2.9Å; L429-M434 HydrophobicContact CB-CB 4.19Å; L429-M434 HydrophobicContact CB-SD 3.94Å; L429-M434 HydrophobicContact CD1-SD 3.88Å; L429-M434 HydrophobicContact CD2-SD 3.81Å; L429-M434 HydrophobicContact CG-SD 4.1Å; L429-M434 VanDerWaalsContact O-CB 3.25Å; L429-M434 WeakPolarHBondContact O-CB 3.14Å; L429-M434 PolarHBondContact O-N 3.22Å; M434-Y441 HydrophobicContact CE-CD1 3.66Å; M434-Y441 HydrophobicContact CE-CG 3.78Å; M434-Y445 HydrophobicContact CB-CD1 3.97Å; M434-Y445 HydrophobicContact CB-CD2 4.46Å; M434-Y445 HydrophobicContact CB-CE1 3.81Å; M434-Y445 HydrophobicContact CB-CE2 4.3Å; M434-Y445 HydrophobicContact CB-CG 4.29Å; M434-Y445 HydrophobicContact CG-CD1 4.43Å; M434-Y445 HydrophobicContact CG-CD2 4.25Å; M434-Y445 HydrophobicContact CG-CE2 4.4Å; M434-Y445 HydrophobicContact CG-CG 4.26Å; M434-Y445 HydrophobicContact SD-CG 4.27Å |
| 435 | P | 96.8 | Very high | 96.4 | Very high | 50 Ų | 50 | 51 Ų | 51 | 33% | 0.325 | 28% | 0.281 | S | S | . | . | B | Isolated β-bridge | trans | -72.1 | 143.6 | -178.8 | 30.3 | -34.9 | 0 | 0 | 0 | 110.9 | Y369 G433 Y438 | Y369-P435 VanDerWaalsContact CE2-O 3.27Å; Y369-P435 WeakPolarHBondContact CE2-O 3.33Å; G433-P435 VanDerWaalsContact O-CD 3.28Å; G433-P435 WeakPolarHBondContact O-CD 3.19Å; P435-Y438 HydrophobicContact CB-CD2 3.65Å; P435-Y438 HydrophobicContact CB-CE2 3.59Å; P435-Y438 HydrophobicContact CG-CD2 3.51Å; P435-Y438 HydrophobicContact CG-CE2 3.66Å; P435-Y438 HydrophobicContact CG-CG 4.09Å |
| 436 | R | 95 | Very high | 96.3 | Very high | 47 Ų | 47 | 52.2 Ų | 52.2 | 18% | 0.177 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -79.7 | 158.5 | 166.9 | 77.7 | -168.6 | -179.3 | 167.9 | -10 | 109.5 | D367 Y369 V372 | D367-R436 HydrophobicContact CB-CG 4.46Å; D367-R436 VanDerWaalsContact O-CG 3.32Å; D367-R436 WeakPolarHBondContact O-CG 3.38Å; D367-R436 PolarHBondContact O-N 3.45Å; D367-R436 IonicContact OD1-CZ 3.65Å; D367-R436 IonicContact OD1-NE 2.76Å; D367-R436 PolarHBondContact OD1-NE 3.39Å; D367-R436 IonicContact OD1-NH2 3.97Å; D367-R436 PolarHBondContact OD1-NH2 3.46Å; Y369-R436 HydrophobicContact CD2-CB 4.48Å; V372-R436 HydrophobicContact CG2-CB 3.77Å; V372-R436 HydrophobicContact CG2-CG 4.5Å |
| 437 | R | 90.7 | Very high | 96.3 | Very high | 94 Ų | 94 | 56.8 Ų | 56.8 | 36% | 0.355 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 75.4 | 21.3 | -177.1 | -50.8 | 162.6 | -178.8 | 149.5 | 2.5 | 116 | D367 | D367-R437 IonicContact OD1-CZ 2.91Å; D367-R437 IonicContact OD1-NH1 3.75Å; D367-R437 PolarHBondContact OD1-NH1 2.96Å; D367-R437 IonicContact OD1-NH2 3.43Å; D367-R437 IonicContact OD2-CZ 2.65Å; D367-R437 IonicContact OD2-NH1 2.77Å; D367-R437 PolarHBondContact OD2-NH1 2.83Å |
| 438 | Y | 92.7 | Very high | 96.3 | Very high | 144 Ų | 144 | 61.2 Ų | 61.2 | 57% | 0.565 | 33% | 0.333 | S | S | * | . | trans | -110 | 140.9 | 168.4 | -70.4 | -106.6 | 0 | 0 | 0 | 108.8 | Y52 P435 | Y52-Y438 VanDerWaalsContact CE1-O 3.29Å; Y52-Y438 WeakPolarHBondContact CE1-O 3.38Å; Y52-Y438 VanDerWaalsContact CZ-O 3.32Å; Y52-Y438 PolarHBondContact OH-O 3.24Å; P435-Y438 HydrophobicContact CB-CD2 3.65Å; P435-Y438 HydrophobicContact CB-CE2 3.59Å; P435-Y438 HydrophobicContact CG-CD2 3.51Å; P435-Y438 HydrophobicContact CG-CE2 3.66Å; P435-Y438 HydrophobicContact CG-CG 4.09Å | ||
| 439 | S | 94.6 | Very high | 96.3 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -77.8 | -26.3 | 175.5 | 45.6 | 0 | 0 | 0 | 0 | 112.3 | L39 D49 | L39-S439 WeakPolarHBondContact CD2-O 3.43Å; D49-S439 WeakPolarHBondContact OD1-CB 3.27Å; D49-S439 PolarHBondContact OD1-OG 3Å |
| 440 | D | 95.4 | Very high | 96.2 | Very high | 69 Ų | 69 | 61.2 Ų | 61.2 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | trans | -129.3 | 164.9 | -178.3 | -163.5 | 8.4 | 0 | 0 | 0 | 112.1 | G43 | G43-D440 WeakPolarHBondContact CA-OD2 3.4Å; G43-D440 VanDerWaalsContact N-CG 3.33Å; G43-D440 PolarHBondContact N-OD1 3.22Å; G43-D440 PolarHBondContact N-OD2 2.79Å | ||
| 441 | Y | 95.4 | Very high | 96.2 | Very high | 12 Ų | 12 | 63.3 Ų | 63.3 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | trans | -151.3 | 153 | -178.7 | 59.5 | -96.1 | 0 | 0 | 0 | 113.9 | L39 H41 P42 M434 N449 | L39-Y441 HydrophobicContact CB-CE1 4.04Å; L39-Y441 HydrophobicContact CD2-CD1 3.8Å; L39-Y441 HydrophobicContact CD2-CE1 3.98Å; L39-Y441 VanDerWaalsContact O-CE1 3.28Å; L39-Y441 WeakPolarHBondContact O-CE1 3.31Å; L39-Y441 PolarHBondContact O-OH 2.87Å; H41-Y441 WeakPolarHBondContact CA-OH 3.42Å; P42-Y441 HydrophobicContact CG-CD2 4.37Å; P42-Y441 HydrophobicContact CG-CE2 3.8Å; M434-Y441 HydrophobicContact CE-CD1 3.66Å; M434-Y441 HydrophobicContact CE-CG 3.78Å; Y441-N449 HydrophobicContact CE1-CB 4.09Å; Y441-N449 WeakPolarHBondContact CE1-ND2 3.43Å; Y441-N449 HydrophobicContact CE2-CB 4.16Å; Y441-N449 WeakPolarHBondContact OH-CB 3.5Å | ||
| 442 | P | 95.8 | Very high | 96.3 | Very high | 82 Ų | 82 | 58.2 Ų | 58.2 | 53% | 0.532 | 32% | 0.321 | S | S | . | . | trans | -59.6 | 146.8 | 173.1 | -25.5 | 32.9 | 0 | 0 | 0 | 114.3 | A444 Y445 | P442-A444 PolarHBondContact O-N 3.4Å; P442-Y445 HydrophobicContact CB-CD2 4.15Å; P442-Y445 HydrophobicContact CB-CE2 4.2Å; P442-Y445 HydrophobicContact CG-CD2 4.25Å; P442-Y445 HydrophobicContact CG-CE2 3.98Å; P442-Y445 WeakPolarHBondContact O-CD2 3.39Å; P442-Y445 PolarHBondContact O-N 3.02Å | ||
| 443 | D | 94.7 | Very high | 96.3 | Very high | 128 Ų | 128 | 56.6 Ų | 56.6 | 68% | 0.684 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -51 | -29.7 | -179.7 | 64.6 | -19.2 | 0 | 0 | 0 | 115 | Y445 T446 | D443-Y445 PolarHBondContact O-N 3.28Å; D443-T446 WeakPolarHBondContact CA-OG1 3.47Å; D443-T446 WeakPolarHBondContact O-CB 3.36Å; D443-T446 PolarHBondContact O-N 3.39Å; D443-T446 PolarHBondContact O-OG1 3.16Å |
| 444 | A | 96.5 | Very high | 96.4 | Very high | 81 Ų | 81 | 59.2 Ų | 59.2 | 67% | 0.669 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -51.5 | -28.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | P442 | P442-A444 PolarHBondContact O-N 3.4Š|
| 445 | Y | 97.2 | Very high | 96.4 | Very high | 44 Ų | 44 | 59 Ų | 59 | 17% | 0.173 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -92.7 | -4.5 | -179.5 | -56.9 | -63.8 | 0 | 0 | 0 | 114.1 | L429 A432 M434 P442 D443 T447 W448 N449 | L429-Y445 HydrophobicContact CD2-CD1 3.89Å; L429-Y445 HydrophobicContact CD2-CG 4.2Å; A432-Y445 HydrophobicContact CB-CD1 4.34Å; A432-Y445 HydrophobicContact CB-CE1 3.69Å; A432-Y445 PolarHBondContact O-OH 2.93Å; M434-Y445 HydrophobicContact CB-CD1 3.97Å; M434-Y445 HydrophobicContact CB-CD2 4.46Å; M434-Y445 HydrophobicContact CB-CE1 3.81Å; M434-Y445 HydrophobicContact CB-CE2 4.3Å; M434-Y445 HydrophobicContact CB-CG 4.29Å; M434-Y445 HydrophobicContact CG-CD1 4.43Å; M434-Y445 HydrophobicContact CG-CD2 4.25Å; M434-Y445 HydrophobicContact CG-CE2 4.4Å; M434-Y445 HydrophobicContact CG-CG 4.26Å; M434-Y445 HydrophobicContact SD-CG 4.27Å; P442-Y445 HydrophobicContact CB-CD2 4.15Å; P442-Y445 HydrophobicContact CB-CE2 4.2Å; P442-Y445 HydrophobicContact CG-CD2 4.25Å; P442-Y445 HydrophobicContact CG-CE2 3.98Å; P442-Y445 WeakPolarHBondContact O-CD2 3.39Å; P442-Y445 PolarHBondContact O-N 3.02Å; D443-Y445 PolarHBondContact O-N 3.28Å; Y445-T447 PolarHBondContact O-N 3.13Å; Y445-W448 PolarHBondContact O-N 3.4Å; Y445-N449 PolarHBondContact O-N 3.49Å; Y445-N449 PolarHBondContact O-ND2 2.9Å |
| 446 | T | 97.3 | Very high | 96.5 | Very high | 31 Ų | 31 | 56.9 Ų | 56.9 | 19% | 0.19 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.2 | -45.8 | -172.6 | -56.8 | 0 | 0 | 0 | 0 | 112.8 | P42 D443 W448 N449 I450 | P42-T446 HydrophobicContact CG-CG2 4.5Å; P42-T446 VanDerWaalsContact CG-OG1 3.24Å; P42-T446 WeakPolarHBondContact CG-OG1 3.18Å; D443-T446 WeakPolarHBondContact CA-OG1 3.47Å; D443-T446 WeakPolarHBondContact O-CB 3.36Å; D443-T446 PolarHBondContact O-N 3.39Å; D443-T446 PolarHBondContact O-OG1 3.16Å; T446-W448 PolarHBondContact O-N 3.01Å; T446-N449 PolarHBondContact O-N 3.26Å; T446-I450 HydrophobicContact CG2-CD1 3.58Å; T446-I450 HydrophobicContact CG2-CG1 4.09Å; T446-I450 WeakPolarHBondContact O-CG1 3.5Å; T446-I450 PolarHBondContact O-N 2.98Å |
| 447 | T | 97.4 | Very high | 96.7 | Very high | 100 Ų | 100 | 58.1 Ų | 58.1 | 61% | 0.613 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -56.2 | -50 | -174.8 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | Y445 V451 | Y445-T447 PolarHBondContact O-N 3.13Å; T447-V451 WeakPolarHBondContact O-CG2 3.11Å; T447-V451 PolarHBondContact O-N 3.49Å |
| 448 | W | 98 | Very high | 97 | Very high | 105 Ų | 105 | 55.8 Ų | 55.8 | 40% | 0.398 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -74.2 | -30.6 | -178.5 | -68.2 | 127.1 | 0 | 0 | 0 | 112.9 | P425 F428 L429 Y445 T446 S452 | P425-W448 HydrophobicContact CB-CB 4.12Å; P425-W448 HydrophobicContact CB-CD2 4.32Å; P425-W448 HydrophobicContact CB-CE3 3.76Å; P425-W448 HydrophobicContact CG-CE3 4.22Å; F428-W448 HydrophobicContact CB-CD2 4.28Å; F428-W448 HydrophobicContact CB-CG 4.29Å; F428-W448 HydrophobicContact CB-CZ2 4.36Å; F428-W448 HydrophobicContact CD2-CD2 4.23Å; F428-W448 AromaticContact CD2-CE2 3.92Å; F428-W448 HydrophobicContact CD2-CE3 4.39Å; F428-W448 AromaticContact CD2-CH2 3.95Å; F428-W448 HydrophobicContact CD2-CH2 3.95Å; F428-W448 AromaticContact CD2-CZ2 3.78Å; F428-W448 HydrophobicContact CD2-CZ2 3.78Å; F428-W448 HydrophobicContact CD2-CZ3 4.26Å; F428-W448 HydrophobicContact CE2-CH2 4.13Å; F428-W448 HydrophobicContact CE2-CZ2 4.28Å; F428-W448 HydrophobicContact CG-CZ2 4.07Å; L429-W448 HydrophobicContact CD1-CB 4.24Å; L429-W448 HydrophobicContact CD2-CB 3.6Å; L429-W448 HydrophobicContact CD2-CG 4.41Å; L429-W448 HydrophobicContact CG-CB 3.71Å; Y445-W448 PolarHBondContact O-N 3.4Å; T446-W448 PolarHBondContact O-N 3.01Å; W448-S452 VanDerWaalsContact O-CB 3.31Å; W448-S452 WeakPolarHBondContact O-CB 3.47Å; W448-S452 PolarHBondContact O-N 2.91Å |
| 449 | N | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 173.8 | -90.8 | -57.2 | 0 | 0 | 0 | 112.7 | R36 L39 Y441 Y445 T446 V451 S452 T453 | R36-N449 PolarHBondContact NH1-OD1 2.89Å; R36-N449 PolarHBondContact NH2-O 3.46Å; R36-N449 PolarHBondContact NH2-OD1 3.45Å; R36-N449 VanDerWaalsContact NH2-OD1 3.07Å; L39-N449 WeakPolarHBondContact O-CB 3.48Å; Y441-N449 HydrophobicContact CE1-CB 4.09Å; Y441-N449 WeakPolarHBondContact CE1-ND2 3.43Å; Y441-N449 HydrophobicContact CE2-CB 4.16Å; Y441-N449 WeakPolarHBondContact OH-CB 3.5Å; Y445-N449 PolarHBondContact O-N 3.49Å; Y445-N449 PolarHBondContact O-ND2 2.9Å; T446-N449 PolarHBondContact O-N 3.26Å; N449-V451 PolarHBondContact O-N 2.91Å; N449-S452 PolarHBondContact O-N 2.95Å; N449-T453 WeakPolarHBondContact O-CB 3.33Å; N449-T453 PolarHBondContact O-N 3.43Å; N449-T453 PolarHBondContact O-OG1 3.38Å |
| 450 | I | 97.9 | Very high | 97.5 | Very high | 78 Ų | 78 | 51.2 Ų | 51.2 | 40% | 0.4 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.5 | -47 | 175.4 | -69.3 | 175.3 | 0 | 0 | 0 | 110.5 | G40 T446 S452 T453 I454 | G40-I450 WeakPolarHBondContact O-CG1 3.46Å; T446-I450 HydrophobicContact CG2-CD1 3.58Å; T446-I450 HydrophobicContact CG2-CG1 4.09Å; T446-I450 WeakPolarHBondContact O-CG1 3.5Å; T446-I450 PolarHBondContact O-N 2.98Å; I450-S452 VanDerWaalsContact C-N 3.33Å; I450-S452 PolarHBondContact O-N 3.39Å; I450-T453 PolarHBondContact O-N 3.42Å; I450-I454 HydrophobicContact CG2-CD1 3.88Å; I450-I454 WeakPolarHBondContact O-CG1 3.42Å; I450-I454 PolarHBondContact O-N 3.21Å |
| 451 | V | 98.4 | Very high | 97.6 | Very high | 44 Ų | 44 | 52.9 Ų | 52.9 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 177.2 | 178.8 | 0 | 0 | 0 | 0 | 111 | L421 P425 T447 N449 T453 I454 G455 | L421-V451 HydrophobicContact CD2-CG1 4.09Å; P425-V451 HydrophobicContact CG-CB 4.22Å; P425-V451 HydrophobicContact CG-CG1 3.74Å; T447-V451 WeakPolarHBondContact O-CG2 3.11Å; T447-V451 PolarHBondContact O-N 3.49Å; N449-V451 PolarHBondContact O-N 2.91Å; V451-T453 VanDerWaalsContact C-N 3.33Å; V451-T453 PolarHBondContact O-N 3.46Å; V451-I454 PolarHBondContact O-N 3.21Å; V451-G455 PolarHBondContact O-N 3.08Å |
| 452 | S | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 177.4 | -176.7 | 0 | 0 | 0 | 0 | 112.2 | R36 L421 T422 Q426 W448 N449 I450 G455 S456 | R36-S452 VanDerWaalsContact CZ-OG 3.29Å; L421-S452 WeakPolarHBondContact O-CA 3.34Å; T422-S452 VanDerWaalsContact O-CB 3.31Å; T422-S452 WeakPolarHBondContact O-CB 3.43Å; T422-S452 PolarHBondContact O-OG 3.45Å; Q426-S452 PolarHBondContact NE2-OG 3.22Å; W448-S452 VanDerWaalsContact O-CB 3.31Å; W448-S452 WeakPolarHBondContact O-CB 3.47Å; W448-S452 PolarHBondContact O-N 2.91Å; N449-S452 PolarHBondContact O-N 2.95Å; I450-S452 VanDerWaalsContact C-N 3.33Å; I450-S452 PolarHBondContact O-N 3.39Å; S452-G455 PolarHBondContact O-N 3.02Å; S452-S456 PolarHBondContact O-N 3.08Å |
| 453 | T | 98.1 | Very high | 97.9 | Very high | 27 Ų | 27 | 50.2 Ų | 50.2 | 17% | 0.166 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.2 | -40.7 | 177.5 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | R36 N449 I450 V451 G455 S456 T457 | R36-T453 HydrophobicContact CB-CG2 4.38Å; R36-T453 PolarHBondContact NE-OG1 3.15Å; R36-T453 PolarHBondContact NH2-OG1 3.43Å; R36-T453 WeakPolarHBondContact O-CG2 3.39Å; R36-T453 PolarHBondContact O-OG1 3.33Å; N449-T453 WeakPolarHBondContact O-CB 3.33Å; N449-T453 PolarHBondContact O-N 3.43Å; N449-T453 PolarHBondContact O-OG1 3.38Å; I450-T453 PolarHBondContact O-N 3.42Å; V451-T453 VanDerWaalsContact C-N 3.33Å; V451-T453 PolarHBondContact O-N 3.46Å; T453-G455 VanDerWaalsContact C-N 3.35Å; T453-G455 PolarHBondContact O-N 3.27Å; T453-S456 WeakPolarHBondContact O-CB 3.47Å; T453-S456 PolarHBondContact O-N 3.29Å; T453-S456 VanDerWaalsContact O-N 3.15Å; T453-T457 PolarHBondContact O-N 2.84Å; T453-T457 PolarHBondContact O-OG1 3.03Å |
| 454 | I | 98.3 | Very high | 98.1 | Very high | 92 Ų | 92 | 48.2 Ų | 48.2 | 47% | 0.472 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 172.8 | -68.2 | 163.8 | 0 | 0 | 0 | 110.8 | I450 V451 S456 T457 I458 | I450-I454 HydrophobicContact CG2-CD1 3.88Å; I450-I454 WeakPolarHBondContact O-CG1 3.42Å; I450-I454 PolarHBondContact O-N 3.21Å; V451-I454 PolarHBondContact O-N 3.21Å; I454-S456 VanDerWaalsContact C-N 3.26Å; I454-S456 PolarHBondContact O-N 3.4Å; I454-T457 PolarHBondContact O-N 3.32Å; I454-I458 HydrophobicContact CG2-CD1 3.94Å; I454-I458 WeakPolarHBondContact O-CG1 3.29Å; I454-I458 PolarHBondContact O-N 3.25Å |
| 455 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.3 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G418 T422 V451 S452 T453 T457 I458 S459 | G418-G455 CarbonylContact C-O 3.42Å; G418-G455 WeakPolarHBondContact CA-O 3.31Å; G418-G455 CarbonylContact O-C 3.35Å; G418-G455 WeakPolarHBondContact O-CA 3.32Å; T422-G455 PolarHBondContact OG1-O 2.96Å; V451-G455 PolarHBondContact O-N 3.08Å; S452-G455 PolarHBondContact O-N 3.02Å; T453-G455 VanDerWaalsContact C-N 3.35Å; T453-G455 PolarHBondContact O-N 3.27Å; G455-T457 PolarHBondContact O-N 3.24Å; G455-I458 PolarHBondContact O-N 3.06Å; G455-S459 WeakPolarHBondContact O-CB 3.26Å; G455-S459 PolarHBondContact O-N 3.27Å; G455-S459 PolarHBondContact O-OG 2.72Å |
| 456 | S | 98.2 | Very high | 98.2 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65 | -41.2 | 178.5 | -168.5 | 0 | 0 | 0 | 0 | 111.8 | I33 R36 T422 S452 T453 I454 S459 L460 | I33-S456 WeakPolarHBondContact CD1-OG 3.46Å; R36-S456 WeakPolarHBondContact CG-OG 3.48Å; T422-S456 WeakPolarHBondContact OG1-CA 3.32Å; T422-S456 PolarHBondContact OG1-N 3.44Å; S452-S456 PolarHBondContact O-N 3.08Å; T453-S456 WeakPolarHBondContact O-CB 3.47Å; T453-S456 PolarHBondContact O-N 3.29Å; T453-S456 VanDerWaalsContact O-N 3.15Å; I454-S456 VanDerWaalsContact C-N 3.26Å; I454-S456 PolarHBondContact O-N 3.4Å; S456-S459 WeakPolarHBondContact O-CB 3.48Å; S456-S459 PolarHBondContact O-N 3.49Å; S456-L460 PolarHBondContact O-N 2.96Å |
| 457 | T | 98.2 | Very high | 98.3 | Very high | 72 Ų | 72 | 47.9 Ų | 47.9 | 44% | 0.442 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.7 | -41.7 | 175.2 | -50.9 | 0 | 0 | 0 | 0 | 111.6 | T453 I454 G455 S459 L460 L461 | T453-T457 PolarHBondContact O-N 2.84Å; T453-T457 PolarHBondContact O-OG1 3.03Å; I454-T457 PolarHBondContact O-N 3.32Å; G455-T457 PolarHBondContact O-N 3.24Å; T457-S459 VanDerWaalsContact C-N 3.3Å; T457-S459 PolarHBondContact O-N 3.19Å; T457-L460 WeakPolarHBondContact O-CB 3.48Å; T457-L460 PolarHBondContact O-N 3.05Å; T457-L461 WeakPolarHBondContact O-CG 3.29Å; T457-L461 PolarHBondContact O-N 3.4Å; T457-L461 VanDerWaalsContact O-N 3.11Å |
| 458 | I | 98.6 | Very high | 98.3 | Very high | 46 Ų | 46 | 47.4 Ų | 47.4 | 24% | 0.236 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 174.9 | -65.8 | 166.8 | 0 | 0 | 0 | 110.5 | I414 L421 I454 G455 L460 L461 G462 | I414-I458 HydrophobicContact CG2-CG2 3.95Å; L421-I458 HydrophobicContact CD1-CD1 3.98Å; I454-I458 HydrophobicContact CG2-CD1 3.94Å; I454-I458 WeakPolarHBondContact O-CG1 3.29Å; I454-I458 PolarHBondContact O-N 3.25Å; G455-I458 PolarHBondContact O-N 3.06Å; I458-L460 PolarHBondContact O-N 2.97Å; I458-L461 PolarHBondContact O-N 3.02Å; I458-G462 PolarHBondContact O-N 3.3Å |
| 459 | S | 98.3 | Very high | 98.4 | Very high | 13 Ų | 13 | 42.4 Ų | 42.4 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 177.7 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | M415 G418 V419 T422 G455 S456 T457 L461 G462 I463 | M415-S459 VanDerWaalsContact SD-O 3.38Å; G418-S459 WeakPolarHBondContact CA-OG 3.44Å; G418-S459 PolarHBondContact O-OG 3.15Å; V419-S459 PolarHBondContact N-OG 2.9Å; T422-S459 PolarHBondContact OG1-OG 3.43Å; G455-S459 WeakPolarHBondContact O-CB 3.26Å; G455-S459 PolarHBondContact O-N 3.27Å; G455-S459 PolarHBondContact O-OG 2.72Å; S456-S459 WeakPolarHBondContact O-CB 3.48Å; S456-S459 PolarHBondContact O-N 3.49Å; T457-S459 VanDerWaalsContact C-N 3.3Å; T457-S459 PolarHBondContact O-N 3.19Å; S459-L461 PolarHBondContact O-N 2.96Å; S459-G462 PolarHBondContact O-N 2.72Å; S459-G462 VanDerWaalsContact O-N 3.15Å; S459-I463 WeakPolarHBondContact O-CG1 3.4Å; S459-I463 PolarHBondContact O-N 3.34Å |
| 460 | L | 98.3 | Very high | 98.4 | Very high | 45 Ų | 45 | 43.7 Ų | 43.7 | 24% | 0.236 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.4 | -46.1 | 174.2 | 176.9 | 66.8 | 0 | 0 | 0 | 111.7 | T29 I33 S456 T457 I458 G462 I463 L464 | T29-L460 HydrophobicContact CG2-CD1 3.92Å; I33-L460 HydrophobicContact CD1-CB 3.91Å; I33-L460 HydrophobicContact CD1-CD2 4.06Å; I33-L460 HydrophobicContact CD1-CG 4.43Å; I33-L460 HydrophobicContact CG1-CD1 4.39Å; I33-L460 HydrophobicContact CG1-CD2 4.1Å; S456-L460 PolarHBondContact O-N 2.96Å; T457-L460 WeakPolarHBondContact O-CB 3.48Å; T457-L460 PolarHBondContact O-N 3.05Å; I458-L460 PolarHBondContact O-N 2.97Å; L460-G462 VanDerWaalsContact C-N 3.27Å; L460-G462 PolarHBondContact O-N 2.92Å; L460-I463 PolarHBondContact O-N 2.92Å; L460-L464 HydrophobicContact CD1-CG 4.49Å; L460-L464 HydrophobicContact CG-CD1 4.35Å; L460-L464 WeakPolarHBondContact O-CG 3.49Å; L460-L464 PolarHBondContact O-N 2.73Å |
| 461 | L | 98.4 | Very high | 98.4 | Very high | 104 Ų | 104 | 47.2 Ų | 47.2 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.5 | -37.5 | 176.6 | -66.1 | 176.3 | 0 | 0 | 0 | 111.7 | T457 I458 S459 F465 | T457-L461 WeakPolarHBondContact O-CG 3.29Å; T457-L461 PolarHBondContact O-N 3.4Å; T457-L461 VanDerWaalsContact O-N 3.11Å; I458-L461 PolarHBondContact O-N 3.02Å; S459-L461 PolarHBondContact O-N 2.96Å; L461-F465 VanDerWaalsContact O-CB 3.32Å; L461-F465 WeakPolarHBondContact O-CB 3.41Å; L461-F465 PolarHBondContact O-N 3.36Å |
| 462 | G | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -48.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | H411 I458 S459 L460 F465 F466 | H411-G462 PolarHBondContact CD2-O 3.05Å; H411-G462 PolarHBondContact NE2-O 3.48Å; I458-G462 PolarHBondContact O-N 3.3Å; S459-G462 PolarHBondContact O-N 2.72Å; S459-G462 VanDerWaalsContact O-N 3.15Å; L460-G462 VanDerWaalsContact C-N 3.27Å; L460-G462 PolarHBondContact O-N 2.92Å; G462-F465 PolarHBondContact O-N 2.77Å; G462-F466 PolarHBondContact O-N 2.77Å |
| 463 | I | 98.3 | Very high | 98.4 | Very high | 38 Ų | 38 | 46.7 Ų | 46.7 | 20% | 0.195 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -47.2 | 178.3 | -65.3 | 165.7 | 0 | 0 | 0 | 111.2 | M26 T29 M415 S459 L460 F465 F466 F467 | M26-I463 HydrophobicContact SD-CG2 3.65Å; T29-I463 HydrophobicContact CG2-CD1 3.8Å; M415-I463 HydrophobicContact CE-CG1 4.24Å; M415-I463 HydrophobicContact SD-CG1 4.12Å; S459-I463 WeakPolarHBondContact O-CG1 3.4Å; S459-I463 PolarHBondContact O-N 3.34Å; L460-I463 PolarHBondContact O-N 2.92Å; I463-F465 VanDerWaalsContact C-N 3.29Å; I463-F465 PolarHBondContact O-N 3.29Å; I463-F466 WeakPolarHBondContact O-CB 3.45Å; I463-F466 PolarHBondContact O-N 3.43Å; I463-F466 VanDerWaalsContact O-N 3.14Å; I463-F467 HydrophobicContact CG2-CD2 4.07Å; I463-F467 HydrophobicContact CG2-CE2 3.88Å; I463-F467 WeakPolarHBondContact O-CD2 3.36Å; I463-F467 PolarHBondContact O-N 3.04Å; I463-F467 VanDerWaalsContact O-N 3.17Å |
| 464 | L | 98.5 | Very high | 98.3 | Very high | 86 Ų | 86 | 49.4 Ų | 49.4 | 45% | 0.45 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61 | -40.1 | 177.2 | -67 | 176.9 | 0 | 0 | 0 | 111.7 | M26 L460 F466 F467 F468 | M26-L464 HydrophobicContact CE-CD2 4.1Å; L460-L464 HydrophobicContact CD1-CG 4.49Å; L460-L464 HydrophobicContact CG-CD1 4.35Å; L460-L464 WeakPolarHBondContact O-CG 3.49Å; L460-L464 PolarHBondContact O-N 2.73Å; L464-F466 VanDerWaalsContact C-N 3.32Å; L464-F466 PolarHBondContact O-N 2.79Å; L464-F467 PolarHBondContact O-N 3.33Å; L464-F468 PolarHBondContact O-N 3.42Å |
| 465 | F | 98.6 | Very high | 98.3 | Very high | 50 Ų | 50 | 49.5 Ų | 49.5 | 22% | 0.219 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.5 | -36.9 | 176.2 | -176.4 | -141.7 | 0 | 0 | 0 | 112 | W407 H411 I414 L461 G462 I463 F468 I469 | W407-F465 HydrophobicContact CB-CE1 4.48Å; W407-F465 HydrophobicContact CB-CE2 4.43Å; W407-F465 HydrophobicContact CB-CZ 3.76Å; W407-F465 HydrophobicContact CG-CZ 4.09Å; W407-F465 WeakPolarHBondContact O-CE1 3.38Å; H411-F465 HydrophobicContact CB-CD1 3.87Å; H411-F465 HydrophobicContact CB-CE1 4.05Å; I414-F465 HydrophobicContact CD1-CD1 4.05Å; I414-F465 HydrophobicContact CD1-CE1 4.43Å; L461-F465 VanDerWaalsContact O-CB 3.32Å; L461-F465 WeakPolarHBondContact O-CB 3.41Å; L461-F465 PolarHBondContact O-N 3.36Å; G462-F465 PolarHBondContact O-N 2.77Å; I463-F465 VanDerWaalsContact C-N 3.29Å; I463-F465 PolarHBondContact O-N 3.29Å; F465-F468 HydrophobicContact CD2-CD1 4.05Å; F465-F468 HydrophobicContact CE2-CD1 4.05Å; F465-F468 WeakPolarHBondContact O-CB 3.41Å; F465-F468 PolarHBondContact O-N 3.21Å; F465-I469 HydrophobicContact CD1-CD1 4.31Å; F465-I469 HydrophobicContact CD2-CD1 4.48Å; F465-I469 HydrophobicContact CD2-CG1 4.32Å; F465-I469 HydrophobicContact CE1-CD1 4.11Å; F465-I469 HydrophobicContact CE2-CD1 4.29Å; F465-I469 HydrophobicContact CE2-CG1 4.08Å; F465-I469 HydrophobicContact CG-CD1 4.49Å; F465-I469 HydrophobicContact CZ-CD1 4.11Å; F465-I469 HydrophobicContact CZ-CG1 4.33Å; F465-I469 VanDerWaalsContact O-CG1 3.31Å; F465-I469 WeakPolarHBondContact O-CG1 3.42Å; F465-I469 PolarHBondContact O-N 2.91Å |
| 466 | F | 98.6 | Very high | 98.2 | Very high | 20 Ų | 20 | 51.7 Ų | 51.7 | 9% | 0.088 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 174.6 | -178.1 | -119.8 | 0 | 0 | 0 | 113 | M388 F391 I392 L408 H411 G462 I463 L464 F468 I469 I470 | M388-F466 HydrophobicContact CE-CD1 3.64Å; M388-F466 HydrophobicContact CE-CD2 3.55Å; M388-F466 HydrophobicContact CE-CE1 3.4Å; M388-F466 HydrophobicContact CE-CE2 3.33Å; M388-F466 HydrophobicContact CE-CG 3.69Å; M388-F466 HydrophobicContact CE-CZ 3.23Å; M388-F466 HydrophobicContact SD-CD1 4.29Å; M388-F466 HydrophobicContact SD-CE1 3.96Å; M388-F466 HydrophobicContact SD-CZ 4.24Å; F391-F466 HydrophobicContact CD1-CE1 4.5Å; F391-F466 HydrophobicContact CD1-CE2 4.46Å; F391-F466 AromaticContact CD1-CZ 3.62Å; F391-F466 HydrophobicContact CD1-CZ 3.62Å; F391-F466 AromaticContact CE1-CZ 3.84Å; F391-F466 HydrophobicContact CE1-CZ 3.84Å; I392-F466 HydrophobicContact CG1-CE2 4.39Å; L408-F466 HydrophobicContact CD2-CD2 4.48Å; L408-F466 HydrophobicContact CD2-CE2 4.38Å; H411-F466 AromaticContact CE1-CD2 3.8Å; H411-F466 AromaticContact CE1-CG 3.88Å; H411-F466 AromaticContact ND1-CD2 3.86Å; G462-F466 PolarHBondContact O-N 2.77Å; I463-F466 WeakPolarHBondContact O-CB 3.45Å; I463-F466 PolarHBondContact O-N 3.43Å; I463-F466 VanDerWaalsContact O-N 3.14Å; L464-F466 VanDerWaalsContact C-N 3.32Å; L464-F466 PolarHBondContact O-N 2.79Å; F466-F468 VanDerWaalsContact C-N 3.26Å; F466-F468 PolarHBondContact O-N 2.76Å; F466-I469 WeakPolarHBondContact O-CB 3.34Å; F466-I469 PolarHBondContact O-N 2.91Å; F466-I469 VanDerWaalsContact O-N 3.09Å; F466-I470 HydrophobicContact CD1-CD1 3.96Å; F466-I470 HydrophobicContact CE1-CD1 3.44Å; F466-I470 VanDerWaalsContact CE1-CD1 3.44Å; F466-I470 HydrophobicContact CE1-CG1 4.36Å; F466-I470 HydrophobicContact CE2-CD1 4.24Å; F466-I470 HydrophobicContact CE2-CG1 4.32Å; F466-I470 HydrophobicContact CZ-CD1 3.6Å; F466-I470 HydrophobicContact CZ-CG1 4.14Å; F466-I470 PolarHBondContact O-N 3.2Å |
| 467 | F | 98.3 | Very high | 98 | Very high | 79 Ų | 79 | 56.3 Ų | 56.3 | 35% | 0.346 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.1 | -37 | 174.5 | -81.1 | -73.4 | 0 | 0 | 0 | 112.2 | A22 M26 I463 L464 I470 W471 | A22-F467 HydrophobicContact CB-CE1 4.34Å; A22-F467 HydrophobicContact CB-CZ 4.18Å; M26-F467 HydrophobicContact CG-CE2 3.83Å; M26-F467 HydrophobicContact CG-CZ 3.97Å; M26-F467 HydrophobicContact SD-CD2 4.06Å; M26-F467 HydrophobicContact SD-CE2 3.39Å; M26-F467 WeakPolarHBondContact SD-CE2 3.33Å; M26-F467 HydrophobicContact SD-CZ 4.15Å; I463-F467 HydrophobicContact CG2-CD2 4.07Å; I463-F467 HydrophobicContact CG2-CE2 3.88Å; I463-F467 WeakPolarHBondContact O-CD2 3.36Å; I463-F467 PolarHBondContact O-N 3.04Å; I463-F467 VanDerWaalsContact O-N 3.17Å; L464-F467 PolarHBondContact O-N 3.33Å; F467-I470 PolarHBondContact O-N 2.88Å; F467-W471 WeakPolarHBondContact O-CB 3.21Å; F467-W471 PolarHBondContact O-N 2.98Å |
| 468 | F | 98.6 | Very high | 97.9 | Very high | 91 Ų | 91 | 56.6 Ų | 56.6 | 40% | 0.399 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 172.6 | 175 | -99 | 0 | 0 | 0 | 112.3 | W407 L464 F465 F466 W471 E472 | W407-F468 HydrophobicContact CE3-CE1 4.17Å; W407-F468 AromaticContact CH2-CE1 3.79Å; W407-F468 HydrophobicContact CH2-CE1 3.79Å; W407-F468 HydrophobicContact CH2-CZ 4.27Å; W407-F468 HydrophobicContact CZ3-CD1 4.23Å; W407-F468 AromaticContact CZ3-CE1 3.55Å; W407-F468 HydrophobicContact CZ3-CE1 3.55Å; W407-F468 HydrophobicContact CZ3-CZ 4.31Å; L464-F468 PolarHBondContact O-N 3.42Å; F465-F468 HydrophobicContact CD2-CD1 4.05Å; F465-F468 HydrophobicContact CE2-CD1 4.05Å; F465-F468 WeakPolarHBondContact O-CB 3.41Å; F465-F468 PolarHBondContact O-N 3.21Å; F466-F468 VanDerWaalsContact C-N 3.26Å; F466-F468 PolarHBondContact O-N 2.76Å; F468-W471 AromaticContact CD2-CE3 3.84Å; F468-W471 HydrophobicContact CD2-CE3 3.84Å; F468-W471 HydrophobicContact CD2-CZ3 4.11Å; F468-W471 AromaticContact CE2-CE3 3.79Å; F468-W471 HydrophobicContact CE2-CE3 3.79Å; F468-W471 AromaticContact CE2-CZ3 3.59Å; F468-W471 HydrophobicContact CE2-CZ3 3.59Å; F468-W471 HydrophobicContact CZ-CZ3 4.37Å; F468-W471 PolarHBondContact O-N 2.62Å; F468-E472 WeakPolarHBondContact O-CB 3.36Å; F468-E472 PolarHBondContact O-N 3.19Å |
| 469 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.6 | -42.5 | 176.5 | -61.4 | 165.5 | 0 | 0 | 0 | 111 | L403 W407 L408 H411 F465 F466 E472 S473 | L403-I469 HydrophobicContact CB-CG2 4.27Å; L403-I469 HydrophobicContact CD2-CG2 3.93Å; W407-I469 HydrophobicContact CB-CD1 3.79Å; W407-I469 HydrophobicContact CB-CG1 3.88Å; W407-I469 HydrophobicContact CE3-CG1 4.07Å; L408-I469 HydrophobicContact CD2-CD1 4.11Å; L408-I469 HydrophobicContact CD2-CG2 4.11Å; L408-I469 HydrophobicContact CG-CG2 4.37Å; H411-I469 HydrophobicContact CB-CD1 3.96Å; F465-I469 HydrophobicContact CD1-CD1 4.31Å; F465-I469 HydrophobicContact CD2-CD1 4.48Å; F465-I469 HydrophobicContact CD2-CG1 4.32Å; F465-I469 HydrophobicContact CE1-CD1 4.11Å; F465-I469 HydrophobicContact CE2-CD1 4.29Å; F465-I469 HydrophobicContact CE2-CG1 4.08Å; F465-I469 HydrophobicContact CG-CD1 4.49Å; F465-I469 HydrophobicContact CZ-CD1 4.11Å; F465-I469 HydrophobicContact CZ-CG1 4.33Å; F465-I469 VanDerWaalsContact O-CG1 3.31Å; F465-I469 WeakPolarHBondContact O-CG1 3.42Å; F465-I469 PolarHBondContact O-N 2.91Å; F466-I469 WeakPolarHBondContact O-CB 3.34Å; F466-I469 PolarHBondContact O-N 2.91Å; F466-I469 VanDerWaalsContact O-N 3.09Å; I469-E472 PolarHBondContact O-N 3.37Å; I469-S473 WeakPolarHBondContact O-CB 3.39Å; I469-S473 PolarHBondContact O-N 3.18Å |
| 470 | I | 98.2 | Very high | 97.4 | Very high | 27 Ų | 27 | 60.3 Ų | 60.3 | 14% | 0.138 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.8 | -49.5 | 175.7 | -67.6 | 170.2 | 0 | 0 | 0 | 110.3 | F391 L403 F466 F467 E472 S473 L474 | F391-I470 HydrophobicContact CE1-CD1 3.81Å; F391-I470 HydrophobicContact CE1-CG1 4.16Å; F391-I470 HydrophobicContact CZ-CD1 4.09Å; L403-I470 HydrophobicContact CD2-CG1 4.41Å; F466-I470 HydrophobicContact CD1-CD1 3.96Å; F466-I470 HydrophobicContact CE1-CD1 3.44Å; F466-I470 VanDerWaalsContact CE1-CD1 3.44Å; F466-I470 HydrophobicContact CE1-CG1 4.36Å; F466-I470 HydrophobicContact CE2-CD1 4.24Å; F466-I470 HydrophobicContact CE2-CG1 4.32Å; F466-I470 HydrophobicContact CZ-CD1 3.6Å; F466-I470 HydrophobicContact CZ-CG1 4.14Å; F466-I470 PolarHBondContact O-N 3.2Å; F467-I470 PolarHBondContact O-N 2.88Å; I470-E472 VanDerWaalsContact C-N 3.31Å; I470-E472 PolarHBondContact O-N 3.1Å; I470-S473 WeakPolarHBondContact O-CB 3.44Å; I470-S473 PolarHBondContact O-N 3.23Å; I470-L474 HydrophobicContact CG2-CD1 3.98Å; I470-L474 HydrophobicContact CG2-CG 4.4Å; I470-L474 WeakPolarHBondContact O-CG 3.3Å; I470-L474 PolarHBondContact O-N 3.09Å |
| 471 | W | 98.2 | Very high | 96.9 | Very high | 151 Ų | 151 | 65.7 Ų | 65.7 | 57% | 0.572 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -56.5 | -46.2 | 178.5 | 170.1 | 81 | 0 | 0 | 0 | 111.4 | F467 F468 S473 L474 V475 | F467-W471 WeakPolarHBondContact O-CB 3.21Å; F467-W471 PolarHBondContact O-N 2.98Å; F468-W471 AromaticContact CD2-CE3 3.84Å; F468-W471 HydrophobicContact CD2-CE3 3.84Å; F468-W471 HydrophobicContact CD2-CZ3 4.11Å; F468-W471 AromaticContact CE2-CE3 3.79Å; F468-W471 HydrophobicContact CE2-CE3 3.79Å; F468-W471 AromaticContact CE2-CZ3 3.59Å; F468-W471 HydrophobicContact CE2-CZ3 3.59Å; F468-W471 HydrophobicContact CZ-CZ3 4.37Å; F468-W471 PolarHBondContact O-N 2.62Å; W471-S473 VanDerWaalsContact C-N 3.35Å; W471-S473 PolarHBondContact O-N 3.5Å; W471-L474 PolarHBondContact O-N 3.26Å; W471-V475 HydrophobicContact CD2-CG2 4.21Å; W471-V475 HydrophobicContact CZ2-CG2 3.97Å; W471-V475 WeakPolarHBondContact O-CG2 3.46Å; W471-V475 PolarHBondContact O-N 2.98Å |
| 472 | E | 98.1 | Very high | 96.3 | Very high | 33 Ų | 33 | 68.8 Ų | 68.8 | 15% | 0.154 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 179.7 | -171.9 | -83.1 | 157.9 | 0 | 0 | 112.3 | W407 F468 I469 I470 V475 S476 R478 | W407-E472 HydrophobicContact CH2-CG 3.9Å; W407-E472 HydrophobicContact CZ3-CB 3.85Å; W407-E472 HydrophobicContact CZ3-CG 3.57Å; F468-E472 WeakPolarHBondContact O-CB 3.36Å; F468-E472 PolarHBondContact O-N 3.19Å; I469-E472 PolarHBondContact O-N 3.37Å; I470-E472 VanDerWaalsContact C-N 3.31Å; I470-E472 PolarHBondContact O-N 3.1Å; E472-V475 PolarHBondContact O-N 2.83Å; E472-S476 VanDerWaalsContact O-CB 3.23Å; E472-S476 WeakPolarHBondContact O-CB 3.28Å; E472-S476 PolarHBondContact O-N 3.01Å; E472-S476 PolarHBondContact O-OG 3.44Å; E472-R478 VanDerWaalsContact CD-NH1 3.31Å; E472-R478 IonicContact OE1-CZ 3.61Å; E472-R478 IonicContact OE1-NH1 2.66Å; E472-R478 PolarHBondContact OE1-NH1 3.09Å; E472-R478 IonicContact OE1-NH2 3.71Å; E472-R478 IonicContact OE2-CZ 3.37Å; E472-R478 IonicContact OE2-NH1 3.18Å; E472-R478 PolarHBondContact OE2-NH1 3.32Å; E472-R478 IonicContact OE2-NH2 2.7Å; E472-R478 PolarHBondContact OE2-NH2 3.02Å |
| 473 | S | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 172.4 | 176.7 | 0 | 0 | 0 | 0 | 111.9 | Y395 T402 I469 I470 W471 V475 S476 Q477 | Y395-S473 VanDerWaalsContact CE1-OG 3.3Å; Y395-S473 WeakPolarHBondContact CE1-OG 3.33Å; Y395-S473 WeakPolarHBondContact OH-CB 3.39Å; Y395-S473 PolarHBondContact OH-OG 3.02Å; T402-S473 PolarHBondContact O-OG 3.34Å; I469-S473 WeakPolarHBondContact O-CB 3.39Å; I469-S473 PolarHBondContact O-N 3.18Å; I470-S473 WeakPolarHBondContact O-CB 3.44Å; I470-S473 PolarHBondContact O-N 3.23Å; W471-S473 VanDerWaalsContact C-N 3.35Å; W471-S473 PolarHBondContact O-N 3.5Å; S473-V475 VanDerWaalsContact C-N 3.34Å; S473-V475 PolarHBondContact O-N 3.06Å; S473-S476 PolarHBondContact O-OG 2.91Å; S473-Q477 PolarHBondContact O-N 2.93Å |
| 474 | L | 97.2 | Very high | 94.7 | Very high | 84 Ų | 84 | 76 Ų | 76 | 44% | 0.44 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.6 | -30.4 | 177.6 | -66.5 | 174.1 | 0 | 0 | 0 | 113 | L401 I470 W471 Q477 | L401-L474 HydrophobicContact CD1-CD2 4Å; I470-L474 HydrophobicContact CG2-CD1 3.98Å; I470-L474 HydrophobicContact CG2-CG 4.4Å; I470-L474 WeakPolarHBondContact O-CG 3.3Å; I470-L474 PolarHBondContact O-N 3.09Å; W471-L474 PolarHBondContact O-N 3.26Å; L474-Q477 WeakPolarHBondContact O-CG 3.45Å; L474-Q477 PolarHBondContact O-NE2 3.39Å |
| 475 | V | 97.5 | Very high | 93.9 | Very high | 94 Ų | 94 | 74.7 Ų | 74.7 | 57% | 0.57 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -80.1 | -42.2 | 176.5 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | W471 E472 S473 | W471-V475 HydrophobicContact CD2-CG2 4.21Å; W471-V475 HydrophobicContact CZ2-CG2 3.97Å; W471-V475 WeakPolarHBondContact O-CG2 3.46Å; W471-V475 PolarHBondContact O-N 2.98Å; E472-V475 PolarHBondContact O-N 2.83Å; S473-V475 VanDerWaalsContact C-N 3.34Å; S473-V475 PolarHBondContact O-N 3.06Å |
| 476 | S | 96.6 | Very high | 93.3 | Very high | 47 Ų | 47 | 73.6 Ų | 73.6 | 33% | 0.329 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -77 | -21 | -177.9 | 62.2 | 0 | 0 | 0 | 0 | 113.8 | E472 S473 R478 | E472-S476 VanDerWaalsContact O-CB 3.23Å; E472-S476 WeakPolarHBondContact O-CB 3.28Å; E472-S476 PolarHBondContact O-N 3.01Å; E472-S476 PolarHBondContact O-OG 3.44Å; S473-S476 PolarHBondContact O-OG 2.91Å; S476-R478 PolarHBondContact O-N 3.28Å; S476-R478 VanDerWaalsContact O-N 3.15Å; S476-R478 PolarHBondContact OG-NH1 2.94Å; S476-R478 PolarHBondContact OG-NH2 3.46Å |
| 477 | Q | 95.1 | Very high | 92.6 | Very high | 103 Ų | 103 | 78.5 Ų | 78.5 | 48% | 0.481 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 37.7 | 175.5 | -68.2 | -72.2 | -35.3 | 0 | 0 | 113.4 | L401 S473 L474 Q479 | L401-Q477 HydrophobicContact CD2-CB 4.46Å; S473-Q477 PolarHBondContact O-N 2.93Å; L474-Q477 WeakPolarHBondContact O-CG 3.45Å; L474-Q477 PolarHBondContact O-NE2 3.39Å; Q477-Q479 PolarHBondContact O-N 3.43Å; Q477-Q479 PolarHBondContact O-NE2 2.98Å; Q477-Q479 VanDerWaalsContact O-NE2 3.16Å |
| 478 | R | 95.7 | Very high | 92 | Very high | 77 Ų | 77 | 77.4 Ų | 77.4 | 29% | 0.291 | 38% | 0.383 | S | S | . | . | trans | -68.7 | 98.3 | 178.1 | -70.6 | -176.8 | -62.9 | -89.5 | -9.3 | 111.2 | L401 T402 E472 S476 | L401-R478 CarbonylContact C-O 3.53Å; L401-R478 WeakPolarHBondContact CA-O 3.29Å; T402-R478 PolarHBondContact N-O 2.79Å; T402-R478 PolarHBondContact O-NE 2.91Å; T402-R478 PolarHBondContact O-NH2 3.47Å; T402-R478 VanDerWaalsContact OG1-CB 3.31Å; T402-R478 WeakPolarHBondContact OG1-CB 3.35Å; T402-R478 PolarHBondContact OG1-O 3.4Å; T402-R478 VanDerWaalsContact OG1-O 3.08Å; E472-R478 VanDerWaalsContact CD-NH1 3.31Å; E472-R478 IonicContact OE1-CZ 3.61Å; E472-R478 IonicContact OE1-NH1 2.66Å; E472-R478 PolarHBondContact OE1-NH1 3.09Å; E472-R478 IonicContact OE1-NH2 3.71Å; E472-R478 IonicContact OE2-CZ 3.37Å; E472-R478 IonicContact OE2-NH1 3.18Å; E472-R478 PolarHBondContact OE2-NH1 3.32Å; E472-R478 IonicContact OE2-NH2 2.7Å; E472-R478 PolarHBondContact OE2-NH2 3.02Å; S476-R478 PolarHBondContact O-N 3.28Å; S476-R478 VanDerWaalsContact O-N 3.15Å; S476-R478 PolarHBondContact OG-NH1 2.94Å; S476-R478 PolarHBondContact OG-NH2 3.46Å | ||
| 479 | Q | 93.8 | Very high | 91.7 | Very high | 110 Ų | 110 | 73.3 Ų | 73.3 | 51% | 0.514 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -64.2 | 148.8 | -179.6 | -57.3 | -58.7 | -46.5 | 0 | 0 | 112.4 | G400 Q477 | G400-Q479 WeakPolarHBondContact O-CA 3.34Å; G400-Q479 PolarHBondContact O-OE1 3.15Å; Q477-Q479 PolarHBondContact O-N 3.43Å; Q477-Q479 PolarHBondContact O-NE2 2.98Å; Q477-Q479 VanDerWaalsContact O-NE2 3.16Å |
| 480 | V | 92.5 | Very high | 91.3 | Very high | 27 Ų | 27 | 74.2 Ų | 74.2 | 16% | 0.164 | 37% | 0.37 | C | S | . | . | trans | -69.6 | 127.4 | 169.6 | 177.6 | 0 | 0 | 0 | 0 | 109.2 | P396 G400 T402 | P396-V480 HydrophobicContact CB-CG2 3.65Å; G400-V480 WeakPolarHBondContact O-CG2 3.37Å; G400-V480 PolarHBondContact O-N 3Å; T402-V480 HydrophobicContact CG2-CG2 3.8Å | ||
| 481 | I | 88.2 | Confident | 91 | Very high | 159 Ų | 159 | 73 Ų | 73 | 82% | 0.815 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -83 | -45.4 | 177.7 | -53.3 | 177.3 | 0 | 0 | 0 | 110.3 | ||
| 482 | Y | 85.3 | Confident | 90.7 | Very high | 169 Ų | 169 | 66.5 Ų | 66.5 | 66% | 0.663 | 34% | 0.339 | S | S | * | . | trans | -154.7 | 143.6 | 172.1 | 54 | -91.3 | 0 | 0 | 0 | 109.8 | I484 | Y482-I484 HydrophobicContact CD2-CG1 4.42Å; Y482-I484 HydrophobicContact CE2-CG1 4.14Å | ||
| 483 | P | 82.6 | Confident | 90.3 | Very high | 50 Ų | 50 | 70.6 Ų | 70.6 | 33% | 0.325 | 35% | 0.354 | S | S | . | . | trans | -77.2 | 135 | 172.4 | 30.3 | -32.4 | 0 | 0 | 0 | 110.7 | Q485 W492 | P483-Q485 HydrophobicContact CB-CG 4.42Å; P483-Q485 HydrophobicContact CG-CG 4.35Å; P483-Q485 PolarHBondContact O-N 2.92Å; P483-W492 HydrophobicContact CB-CE3 3.81Å; P483-W492 HydrophobicContact CB-CZ3 4.26Å | ||
| 484 | I | 80.3 | Confident | 89.7 | Confident | 140 Ų | 140 | 72.1 Ų | 72.1 | 72% | 0.718 | 36% | 0.361 | S | S | * | . | trans | -87 | 93.1 | 168.1 | -57.8 | 171.9 | 0 | 0 | 0 | 106.7 | Q258 Y482 | Q258-I484 PolarHBondContact NE2-O 2.98Å; Y482-I484 HydrophobicContact CD2-CG1 4.42Å; Y482-I484 HydrophobicContact CE2-CG1 4.14Å | ||
| 485 | Q | 81.6 | Confident | 89.3 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 27% | 0.266 | 37% | 0.373 | S | S | . | . | trans | -126.2 | 153.2 | -172.6 | 63.3 | 101.4 | 17.8 | 0 | 0 | 112.3 | P483 W492 | P483-Q485 HydrophobicContact CB-CG 4.42Å; P483-Q485 HydrophobicContact CG-CG 4.35Å; P483-Q485 PolarHBondContact O-N 2.92Å; Q485-W492 HydrophobicContact CB-CB 3.5Å; Q485-W492 VanDerWaalsContact CB-CB 3.5Å; Q485-W492 HydrophobicContact CB-CD2 4.36Å; Q485-W492 HydrophobicContact CB-CG 3.67Å; Q485-W492 HydrophobicContact CG-CB 3.73Å; Q485-W492 HydrophobicContact CG-CG 4.43Å | ||
| 486 | L | 85.8 | Confident | 88.9 | Confident | 27 Ų | 27 | 71.3 Ų | 71.3 | 14% | 0.141 | 36% | 0.355 | C | S | . | . | trans | -89 | 142.7 | 171.1 | -67.4 | 172.4 | 0 | 0 | 0 | 109.3 | Q258 K262 S488 S489 | Q258-L486 HydrophobicContact CB-CD1 4.18Å; Q258-L486 HydrophobicContact CG-CG 4.39Å; K262-L486 WeakPolarHBondContact O-CD1 3.49Å; L486-S488 PolarHBondContact O-N 2.82Å; L486-S489 WeakPolarHBondContact O-CB 3.22Å; L486-S489 PolarHBondContact O-N 3.47Å | ||
| 487 | N | 84.5 | Confident | 88.7 | Confident | 123 Ų | 123 | 72.2 Ų | 72.2 | 66% | 0.658 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -11.4 | 175.2 | -59.8 | -3.5 | 0 | 0 | 0 | 114.1 | Y493 | N487-Y493 WeakPolarHBondContact CA-OH 3.41Å; N487-Y493 PolarHBondContact O-OH 3.36Å |
| 488 | S | 85.7 | Confident | 88.4 | Confident | 57 Ų | 57 | 67.9 Ų | 67.9 | 40% | 0.399 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -14.5 | 172.6 | 43.1 | 0 | 0 | 0 | 0 | 113.6 | K263 L486 I490 | K263-S488 WeakPolarHBondContact O-CB 3.36Å; K263-S488 PolarHBondContact O-OG 2.87Å; L486-S488 PolarHBondContact O-N 2.82Å; S488-I490 PolarHBondContact O-N 3.04Å |
| 489 | S | 91.8 | Very high | 88 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 4% | 0.035 | 35% | 0.349 | C | S | . | . | trans | -99.3 | 80.5 | -174.6 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | L486 E491 W492 | L486-S489 WeakPolarHBondContact O-CB 3.22Å; L486-S489 PolarHBondContact O-N 3.47Å; S489-E491 WeakPolarHBondContact CA-OE2 3.5Å; S489-E491 PolarHBondContact O-N 3.26Å; S489-E491 VanDerWaalsContact O-N 3.12Å; S489-W492 PolarHBondContact O-N 3.1Å; S489-W492 VanDerWaalsContact O-N 3.12Å | ||
| 490 | I | 90.7 | Very high | 87.4 | Confident | 18 Ų | 18 | 66.8 Ų | 66.8 | 9% | 0.092 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -61.7 | -22.1 | -171.8 | 66.8 | 170.7 | 0 | 0 | 0 | 114.4 | L83 M84 I174 S488 W492 Y493 L509 | L83-I490 WeakPolarHBondContact O-CD1 3.43Å; L83-I490 WeakPolarHBondContact O-CG1 3.23Å; M84-I490 VanDerWaalsContact O-CD1 3.32Å; M84-I490 WeakPolarHBondContact O-CD1 3.27Å; I174-I490 HydrophobicContact CD1-CD1 4.44Å; S488-I490 PolarHBondContact O-N 3.04Å; I490-W492 PolarHBondContact O-N 2.58Å; I490-Y493 HydrophobicContact CB-CD2 4.13Å; I490-Y493 HydrophobicContact CB-CE2 4.37Å; I490-Y493 HydrophobicContact CG2-CD2 4.26Å; I490-Y493 HydrophobicContact CG2-CE2 4.01Å; I490-Y493 WeakPolarHBondContact O-CB 3.34Å; I490-Y493 PolarHBondContact O-N 3.19Å; I490-Y493 VanDerWaalsContact O-N 3.1Å; I490-L509 HydrophobicContact CD1-CD1 3.94Å; I490-L509 HydrophobicContact CG2-CD1 4.35Å; I490-L509 HydrophobicContact CG2-CD2 4.21Å |
| 491 | E | 92.6 | Very high | 86.8 | Confident | 2 Ų | 2 | 71.2 Ų | 71.2 | 1% | 0.009 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -61.5 | -25.7 | 177 | 70.1 | -81.4 | -166.8 | 0 | 0 | 112.6 | L83 M84 L397 S489 | L83-E491 HydrophobicContact CB-CB 3.76Å; L83-E491 HydrophobicContact CD1-CB 4.48Å; M84-E491 HydrophobicContact CE-CG 4.45Å; M84-E491 HydrophobicContact CG-CB 4.36Å; L397-E491 HydrophobicContact CD2-CB 4.21Å; L397-E491 HydrophobicContact CD2-CG 4Å; S489-E491 WeakPolarHBondContact CA-OE2 3.5Å; S489-E491 PolarHBondContact O-N 3.26Å; S489-E491 VanDerWaalsContact O-N 3.12Å |
| 492 | W | 92 | Very high | 86.2 | Confident | 15 Ų | 15 | 64.4 Ų | 64.4 | 6% | 0.057 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -87.5 | -1.8 | 178.3 | -64.9 | 102.8 | 0 | 0 | 0 | 114.1 | W394 P396 L397 P483 Q485 S489 I490 Q494 T496 | W394-W492 AromaticContact CD1-CZ2 3.7Å; P396-W492 HydrophobicContact CB-CH2 4.24Å; P396-W492 HydrophobicContact CB-CZ3 4.23Å; L397-W492 HydrophobicContact CB-CE3 4.27Å; L397-W492 HydrophobicContact CB-CH2 3.79Å; L397-W492 HydrophobicContact CB-CZ2 4.41Å; L397-W492 HydrophobicContact CB-CZ3 3.71Å; L397-W492 HydrophobicContact CD1-CE3 4.17Å; L397-W492 HydrophobicContact CD1-CZ3 4.4Å; P483-W492 HydrophobicContact CB-CE3 3.81Å; P483-W492 HydrophobicContact CB-CZ3 4.26Å; Q485-W492 HydrophobicContact CB-CB 3.5Å; Q485-W492 VanDerWaalsContact CB-CB 3.5Å; Q485-W492 HydrophobicContact CB-CD2 4.36Å; Q485-W492 HydrophobicContact CB-CG 3.67Å; Q485-W492 HydrophobicContact CG-CB 3.73Å; Q485-W492 HydrophobicContact CG-CG 4.43Å; S489-W492 PolarHBondContact O-N 3.1Å; S489-W492 VanDerWaalsContact O-N 3.12Å; I490-W492 PolarHBondContact O-N 2.58Å; W492-Q494 PolarHBondContact O-N 3.21Å; W492-T496 HydrophobicContact CE3-CG2 4.46Å; W492-T496 HydrophobicContact CZ3-CG2 4.37Å |
| 493 | Y | 87.8 | Confident | 85.8 | Confident | 118 Ų | 118 | 59.1 Ų | 59.1 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -74.7 | -11.9 | 170.8 | -66.2 | -20.8 | 0 | 0 | 0 | 113 | N487 I490 | N487-Y493 WeakPolarHBondContact CA-OH 3.41Å; N487-Y493 PolarHBondContact O-OH 3.36Å; I490-Y493 HydrophobicContact CB-CD2 4.13Å; I490-Y493 HydrophobicContact CB-CE2 4.37Å; I490-Y493 HydrophobicContact CG2-CD2 4.26Å; I490-Y493 HydrophobicContact CG2-CE2 4.01Å; I490-Y493 WeakPolarHBondContact O-CB 3.34Å; I490-Y493 PolarHBondContact O-N 3.19Å; I490-Y493 VanDerWaalsContact O-N 3.1Å |
| 494 | Q | 86.4 | Confident | 85.6 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 15% | 0.15 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -79.6 | 163.9 | 174.4 | -60.9 | -62.6 | -37 | 0 | 0 | 111.4 | L83 W492 P498 Y503 | L83-Q494 HydrophobicContact CD2-CG 4.32Å; W492-Q494 PolarHBondContact O-N 3.21Å; Q494-P498 HydrophobicContact CB-CB 3.87Å; Q494-P498 HydrophobicContact CB-CG 3.85Å; Q494-P498 HydrophobicContact CG-CB 4.31Å; Q494-P498 HydrophobicContact CG-CG 4.48Å; Q494-Y503 PolarHBondContact NE2-OH 3.35Å |
| 495 | N | 88.9 | Confident | 85.6 | Confident | 129 Ų | 129 | 63.6 Ų | 63.6 | 69% | 0.69 | 34% | 0.341 | S | S | * | . | trans | -61.4 | 162.6 | 165.5 | -69.4 | -31.5 | 0 | 0 | 0 | 110.7 | P497 P498 | N495-P497 VanDerWaalsContact C-C 3.42Å; N495-P497 CarbonylContact C-O 3.36Å; N495-P497 CarbonylContact O-C 3.58Å; N495-P498 WeakPolarHBondContact O-CA 3.3Å; N495-P498 VanDerWaalsContact O-CD 3.27Å; N495-P498 WeakPolarHBondContact O-CD 3.33Å | ||
| 496 | T | 89.9 | Confident | 85.4 | Confident | 33 Ų | 33 | 64.4 Ų | 64.4 | 20% | 0.202 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -116.1 | 100.2 | 175.4 | 54.4 | 0 | 0 | 0 | 0 | 109.7 | L397 G400 W492 | L397-T496 HydrophobicContact CD1-CG2 4.39Å; G400-T496 VanDerWaalsContact CA-O 3.27Å; G400-T496 WeakPolarHBondContact CA-O 3.44Å; W492-T496 HydrophobicContact CE3-CG2 4.46Å; W492-T496 HydrophobicContact CZ3-CG2 4.37Å |
| 497 | P | 90.9 | Very high | 85.2 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 42% | 0.422 | 35% | 0.351 | S | S | . | . | S | Bend | cis | -79.5 | 158.9 | 1.9 | 33.6 | -35.4 | 0 | 0 | 0 | 113.7 | L397 N495 | L397-P497 WeakPolarHBondContact O-CA 3.36Å; N495-P497 VanDerWaalsContact C-C 3.42Å; N495-P497 CarbonylContact C-O 3.36Å; N495-P497 CarbonylContact O-C 3.58Å |
| 498 | P | 89.4 | Confident | 84.9 | Confident | 13 Ų | 13 | 64.3 Ų | 64.3 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 153.8 | 175.6 | -24.1 | 33.4 | 0 | 0 | 0 | 112.2 | K11 L83 L397 Q494 N495 | K11-P498 HydrophobicContact CD-CB 4.14Å; K11-P498 HydrophobicContact CD-CG 4.49Å; L83-P498 HydrophobicContact CD1-CG 4.3Å; L397-P498 HydrophobicContact CD1-CG 3.92Å; L397-P498 HydrophobicContact CG-CG 4.48Å; L397-P498 VanDerWaalsContact O-CD 3.25Å; L397-P498 WeakPolarHBondContact O-CD 3.14Å; Q494-P498 HydrophobicContact CB-CB 3.87Å; Q494-P498 HydrophobicContact CB-CG 3.85Å; Q494-P498 HydrophobicContact CG-CB 4.31Å; Q494-P498 HydrophobicContact CG-CG 4.48Å; N495-P498 WeakPolarHBondContact O-CA 3.3Å; N495-P498 VanDerWaalsContact O-CD 3.27Å; N495-P498 WeakPolarHBondContact O-CD 3.33Å |
| 499 | A | 86.1 | Confident | 84.4 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 46% | 0.463 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 153.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K11 H501 S502 | K11-A499 WeakPolarHBondContact CE-O 3.09Å; K11-A499 PolarHBondContact NZ-O 3.3Å; A499-H501 VanDerWaalsContact C-N 3.34Å; A499-H501 PolarHBondContact O-N 2.8Å; A499-S502 PolarHBondContact O-OG 3.06Å |
| 500 | E | 81.6 | Confident | 83.5 | Confident | 107 Ų | 107 | 69.5 Ų | 69.5 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -51.6 | -52.7 | 178 | -76.5 | -172.6 | -178.5 | 0 | 0 | 111.2 | N9 K11 | N9-E500 WeakPolarHBondContact ND2-CA 3.43Å; N9-E500 WeakPolarHBondContact ND2-CB 3.47Å; N9-E500 PolarHBondContact ND2-O 3.32Å; K11-E500 WeakPolarHBondContact CE-O 3.32Å; K11-E500 PolarHBondContact NZ-O 3.04Å |
| 501 | H | 79.9 | Confident | 82.1 | Confident | 121 Ų | 121 | 78.8 Ų | 78.8 | 56% | 0.56 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -99.1 | 99.5 | 166.7 | -69.5 | -72.4 | 0 | 0 | 0 | 109.4 | A499 Y503 | A499-H501 VanDerWaalsContact C-N 3.34Å; A499-H501 PolarHBondContact O-N 2.8Å; H501-Y503 PolarHBondContact O-N 2.88Å |
| 502 | S | 75.8 | Confident | 81.5 | Confident | 16 Ų | 16 | 82.6 Ų | 82.6 | 11% | 0.112 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -65.1 | -31 | 178.7 | -56.6 | 0 | 0 | 0 | 0 | 112 | K11 A499 | K11-S502 PolarHBondContact NZ-OG 3.15Å; K11-S502 VanDerWaalsContact NZ-OG 3.12Å; A499-S502 PolarHBondContact O-OG 3.06Å |
| 503 | Y | 78.1 | Confident | 81 | Confident | 57 Ų | 57 | 86.2 Ų | 86.2 | 22% | 0.224 | 47% | 0.465 | C | S | . | . | trans | -140.1 | 148.7 | 176.1 | -56.3 | -75.7 | 0 | 0 | 0 | 109.7 | P88 Q494 H501 E505 P507 | P88-Y503 WeakPolarHBondContact CB-O 3.4Å; Q494-Y503 PolarHBondContact NE2-OH 3.35Å; H501-Y503 PolarHBondContact O-N 2.88Å; Y503-E505 WeakPolarHBondContact CB-O 3.48Å; Y503-P507 HydrophobicContact CD1-CB 4.33Å; Y503-P507 HydrophobicContact CD1-CG 4.04Å; Y503-P507 HydrophobicContact CD2-CG 4.46Å; Y503-P507 HydrophobicContact CE1-CB 4.39Å; Y503-P507 HydrophobicContact CE1-CG 4.04Å; Y503-P507 HydrophobicContact CE2-CG 4.47Å; Y503-P507 HydrophobicContact CG-CG 4.25Å | ||
| 504 | S | 78.3 | Confident | 80.6 | Confident | 130 Ų | 130 | 84.4 Ų | 84.4 | 91% | 0.909 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -83.2 | -30 | 173.4 | -56.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 505 | E | 79.7 | Confident | 80.3 | Confident | 155 Ų | 155 | 87.5 Ų | 87.5 | 72% | 0.724 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -147 | 172 | 178.5 | 63.2 | -176.9 | -179.6 | 0 | 0 | 109.8 | Y503 P507 | Y503-E505 WeakPolarHBondContact CB-O 3.48Å; E505-P507 WeakPolarHBondContact O-CD 3.31Å |
| 506 | L | 77.8 | Confident | 79.7 | Confident | 73 Ų | 73 | 84.9 Ų | 84.9 | 38% | 0.382 | 47% | 0.471 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 119.1 | 178.8 | -76.8 | 168.3 | 0 | 0 | 0 | 110.6 | A87 M169 | A87-L506 HydrophobicContact CB-CD2 4.39Å; M169-L506 HydrophobicContact CB-CD2 4.29Å; M169-L506 WeakPolarHBondContact O-CD2 3.32Å |
| 507 | P | 80.9 | Confident | 79 | Confident | 35 Ų | 35 | 88.3 Ų | 88.3 | 23% | 0.227 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 165.1 | 179.5 | 32.6 | -32.8 | 0 | 0 | 0 | 111.5 | G86 S171 T172 Y503 E505 | G86-P507 WeakPolarHBondContact O-CD 3.48Å; G86-P507 WeakPolarHBondContact O-CG 3.34Å; S171-P507 WeakPolarHBondContact CB-O 3.19Å; T172-P507 PolarHBondContact N-O 3.01Å; Y503-P507 HydrophobicContact CD1-CB 4.33Å; Y503-P507 HydrophobicContact CD1-CG 4.04Å; Y503-P507 HydrophobicContact CD2-CG 4.46Å; Y503-P507 HydrophobicContact CE1-CB 4.39Å; Y503-P507 HydrophobicContact CE1-CG 4.04Å; Y503-P507 HydrophobicContact CE2-CG 4.47Å; Y503-P507 HydrophobicContact CG-CG 4.25Å; E505-P507 WeakPolarHBondContact O-CD 3.31Å |
| 508 | L | 79.5 | Confident | 78.2 | Confident | 114 Ų | 114 | 90 Ų | 90 | 60% | 0.597 | 49% | 0.493 | S | S | * | . | B | Isolated β-bridge | trans | -96.3 | 124.8 | 167.9 | 178 | 67.1 | 0 | 0 | 0 | 109 | T172 T510 | T172-L508 HydrophobicContact CG2-CD1 3.52Å; L508-T510 HydrophobicContact CD2-CG2 3.58Å; L508-T510 HydrophobicContact CG-CG2 3.72Å |
| 509 | L | 74.8 | Confident | 77.3 | Confident | 65 Ų | 65 | 95.9 Ų | 95.9 | 34% | 0.34 | 53% | 0.525 | S | S | . | . | trans | -94.2 | 108.5 | 169.5 | -104.6 | 147.6 | 0 | 0 | 0 | 108.6 | T172 I174 I490 | T172-L509 PolarHBondContact O-N 3.07Å; I174-L509 HydrophobicContact CD1-CD1 3.85Å; I174-L509 HydrophobicContact CG1-CD1 4.15Å; I490-L509 HydrophobicContact CD1-CD1 3.94Å; I490-L509 HydrophobicContact CG2-CD1 4.35Å; I490-L509 HydrophobicContact CG2-CD2 4.21Å | ||
| 510 | T | 71.3 | Confident | 76.6 | Confident | 105 Ų | 105 | 99.3 Ų | 99.3 | 64% | 0.644 | 53% | 0.53 | S | S | * | . | trans | -102.1 | 138.6 | 174.4 | 54.5 | 0 | 0 | 0 | 0 | 110.3 | L508 | L508-T510 HydrophobicContact CD2-CG2 3.58Å; L508-T510 HydrophobicContact CG-CG2 3.72Å | ||
| 511 | N | 61.4 | Low | 76.1 | Confident | 213 Ų | 213 | 98.5 Ų | 98.5 | 100% | 1.139 | 53% | 0.533 | S | S | * | . | trans | -65.3 | 0 | -179.9 | -86.1 | -4.4 | 0 | 0 | 0 | 113.7 |
Retrieved 511 of 511 residues in 757.9 ms
(Link to these results)